USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 960 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 47 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 HIS : no HE2:sc= -6.38! C(o=-6.4!,f=-9.8!) USER MOD Set 2.1: A 70 LYS NZ :NH3+ -179:sc= 0 (180deg=0) USER MOD Set 2.2: A 95 GLN : amide:sc= -1.71 X(o=-13,f=-13) USER MOD Set 2.3: A 96 GLN : amide:sc= -11.8! C(o=-13!,f=-16!) USER MOD Set 3.1: A 37 ASN :FLIP amide:sc= -0.0574 X(o=-5.4,f=-5) USER MOD Set 3.2: A 68 GLN :FLIP amide:sc= -4.95! C(o=-8!,f=-5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= -0.0728 (180deg=-0.559) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -52:sc= -6.02 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 76:sc= -1.8! USER MOD Single : A 35 ASN : amide:sc= -3.45! C(o=-3.5!,f=-6.1!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 111:sc= -2.29! USER MOD Single : A 57 MET CE :methyl 162:sc= -0.159 (180deg=-0.745) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0.857 K(o=0.86,f=-0.22) USER MOD Single : A 75 MET CE :methyl -128:sc= 0 (180deg=-1.72!) USER MOD Single : A 81 MET CE :methyl 158:sc= -1.5 (180deg=-2.11!) USER MOD Single : A 82 THR OG1 : rot 82:sc= 0.825 USER MOD Single : A 84 HIS : no HE2:sc= -4.57 K(o=-4.6,f=-8.4!) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0686 USER MOD Single : A 92 SER OG : rot 37:sc= 0.0503 USER MOD Single : A 94 TYR OH : rot 49:sc= 0.453 USER MOD Single : A 101 TYR OH : rot 20:sc= -5.68! USER MOD Single : A 104 LYS NZ :NH3+ 160:sc= -0.0327 (180deg=-0.225) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= 0.197 K(o=0.2,f=-0.92) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.792 X(o=-0.79,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.094 -13.946 -1.020 1.00 0.00 N ATOM 2 CA MET A 1 7.003 -15.026 0.001 1.00 0.00 C ATOM 3 C MET A 1 8.240 -15.038 0.892 1.00 0.00 C ATOM 4 O MET A 1 9.164 -15.820 0.671 1.00 0.00 O ATOM 5 CB MET A 1 6.863 -16.376 -0.712 1.00 0.00 C ATOM 6 CG MET A 1 5.574 -16.526 -1.505 1.00 0.00 C ATOM 7 SD MET A 1 5.659 -17.862 -2.711 1.00 0.00 S ATOM 8 CE MET A 1 5.602 -16.929 -4.238 1.00 0.00 C ATOM 0 H1 MET A 1 6.139 -13.694 -1.345 1.00 0.00 H new ATOM 0 H2 MET A 1 7.549 -13.110 -0.601 1.00 0.00 H new ATOM 0 H3 MET A 1 7.658 -14.279 -1.828 1.00 0.00 H new ATOM 0 HA MET A 1 6.133 -14.844 0.632 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.710 -16.509 -1.386 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.917 -17.174 0.029 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.748 -16.712 -0.818 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.356 -15.590 -2.019 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.646 -17.614 -5.085 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.675 -16.358 -4.281 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.451 -16.246 -4.279 1.00 0.00 H new ATOM 20 N GLN A 2 8.256 -14.155 1.894 1.00 0.00 N ATOM 21 CA GLN A 2 9.385 -14.047 2.824 1.00 0.00 C ATOM 22 C GLN A 2 10.544 -13.272 2.206 1.00 0.00 C ATOM 23 O GLN A 2 11.403 -12.747 2.915 1.00 0.00 O ATOM 24 CB GLN A 2 9.870 -15.430 3.256 1.00 0.00 C ATOM 25 CG GLN A 2 10.812 -15.390 4.445 1.00 0.00 C ATOM 26 CD GLN A 2 10.145 -15.836 5.731 1.00 0.00 C ATOM 27 OE1 GLN A 2 8.990 -15.503 5.992 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.871 -16.598 6.542 1.00 0.00 N ATOM 0 H GLN A 2 7.496 -13.501 2.083 1.00 0.00 H new ATOM 0 HA GLN A 2 9.029 -13.503 3.699 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.008 -16.049 3.505 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.375 -15.909 2.417 1.00 0.00 H new ATOM 0 HG2 GLN A 2 11.672 -16.030 4.245 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.192 -14.376 4.569 1.00 0.00 H new ATOM 0 HE21 GLN A 2 11.826 -16.850 6.286 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.474 -16.931 7.421 1.00 0.00 H new ATOM 37 N ARG A 3 10.558 -13.200 0.882 1.00 0.00 N ATOM 38 CA ARG A 3 11.598 -12.488 0.156 1.00 0.00 C ATOM 39 C ARG A 3 11.560 -10.994 0.480 1.00 0.00 C ATOM 40 O ARG A 3 12.472 -10.248 0.121 1.00 0.00 O ATOM 41 CB ARG A 3 11.403 -12.729 -1.342 1.00 0.00 C ATOM 42 CG ARG A 3 12.335 -11.936 -2.239 1.00 0.00 C ATOM 43 CD ARG A 3 13.616 -12.707 -2.507 1.00 0.00 C ATOM 44 NE ARG A 3 14.720 -11.832 -2.892 1.00 0.00 N ATOM 45 CZ ARG A 3 15.693 -11.449 -2.069 1.00 0.00 C ATOM 46 NH1 ARG A 3 15.686 -11.816 -0.791 1.00 0.00 N ATOM 47 NH2 ARG A 3 16.675 -10.685 -2.526 1.00 0.00 N ATOM 0 H ARG A 3 9.853 -13.631 0.285 1.00 0.00 H new ATOM 0 HA ARG A 3 12.577 -12.860 0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.541 -13.791 -1.546 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.374 -12.485 -1.604 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.836 -11.713 -3.182 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.572 -10.981 -1.770 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.894 -13.267 -1.614 1.00 0.00 H new ATOM 0 HD3 ARG A 3 13.440 -13.436 -3.298 1.00 0.00 H new ATOM 0 HE ARG A 3 14.747 -11.493 -3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 3 14.929 -12.398 -0.432 1.00 0.00 H new ATOM 0 HH12 ARG A 3 16.438 -11.516 -0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 3 16.682 -10.394 -3.504 1.00 0.00 H new ATOM 0 HH22 ARG A 3 17.424 -10.388 -1.900 1.00 0.00 H new ATOM 61 N GLY A 4 10.508 -10.562 1.168 1.00 0.00 N ATOM 62 CA GLY A 4 10.387 -9.162 1.525 1.00 0.00 C ATOM 63 C GLY A 4 10.158 -8.267 0.322 1.00 0.00 C ATOM 64 O GLY A 4 10.982 -7.410 0.012 1.00 0.00 O ATOM 0 H GLY A 4 9.740 -11.155 1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.561 -9.040 2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.292 -8.844 2.042 1.00 0.00 H new ATOM 68 N ILE A 5 9.036 -8.465 -0.362 1.00 0.00 N ATOM 69 CA ILE A 5 8.707 -7.661 -1.533 1.00 0.00 C ATOM 70 C ILE A 5 7.676 -6.589 -1.184 1.00 0.00 C ATOM 71 O ILE A 5 6.534 -6.900 -0.846 1.00 0.00 O ATOM 72 CB ILE A 5 8.162 -8.527 -2.692 1.00 0.00 C ATOM 73 CG1 ILE A 5 9.085 -9.718 -2.957 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.006 -7.690 -3.954 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.644 -10.993 -2.276 1.00 0.00 C ATOM 0 H ILE A 5 8.341 -9.173 -0.126 1.00 0.00 H new ATOM 0 HA ILE A 5 9.633 -7.188 -1.859 1.00 0.00 H new ATOM 0 HB ILE A 5 7.183 -8.907 -2.402 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.140 -9.891 -4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 5 10.092 -9.467 -2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.621 -8.315 -4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.310 -6.873 -3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.975 -7.282 -4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.347 -11.792 -2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.616 -10.839 -1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.650 -11.269 -2.629 1.00 0.00 H new ATOM 87 N VAL A 6 8.082 -5.324 -1.279 1.00 0.00 N ATOM 88 CA VAL A 6 7.187 -4.207 -0.982 1.00 0.00 C ATOM 89 C VAL A 6 6.747 -3.525 -2.270 1.00 0.00 C ATOM 90 O VAL A 6 7.574 -3.127 -3.087 1.00 0.00 O ATOM 91 CB VAL A 6 7.846 -3.155 -0.059 1.00 0.00 C ATOM 92 CG1 VAL A 6 9.143 -2.644 -0.663 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.888 -1.999 0.209 1.00 0.00 C ATOM 0 H VAL A 6 9.023 -5.047 -1.559 1.00 0.00 H new ATOM 0 HA VAL A 6 6.325 -4.625 -0.462 1.00 0.00 H new ATOM 0 HB VAL A 6 8.079 -3.636 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.589 -1.905 0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.835 -3.476 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.938 -2.184 -1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.371 -1.270 0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.620 -1.522 -0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.987 -2.377 0.693 1.00 0.00 H new ATOM 103 N TRP A 7 5.438 -3.394 -2.444 1.00 0.00 N ATOM 104 CA TRP A 7 4.891 -2.760 -3.633 1.00 0.00 C ATOM 105 C TRP A 7 4.132 -1.491 -3.265 1.00 0.00 C ATOM 106 O TRP A 7 3.250 -1.508 -2.406 1.00 0.00 O ATOM 107 CB TRP A 7 3.982 -3.735 -4.388 1.00 0.00 C ATOM 108 CG TRP A 7 4.740 -4.670 -5.287 1.00 0.00 C ATOM 109 CD1 TRP A 7 6.083 -4.918 -5.258 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.207 -5.485 -6.341 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.421 -5.816 -6.237 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.290 -6.184 -6.913 1.00 0.00 C ATOM 113 CE3 TRP A 7 2.927 -5.694 -6.862 1.00 0.00 C ATOM 114 CZ2 TRP A 7 5.131 -7.065 -7.974 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.771 -6.577 -7.917 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.870 -7.251 -8.464 1.00 0.00 C ATOM 0 H TRP A 7 4.738 -3.718 -1.777 1.00 0.00 H new ATOM 0 HA TRP A 7 5.718 -2.483 -4.287 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.407 -4.318 -3.668 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.266 -3.168 -4.983 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.779 -4.471 -4.563 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.363 -6.155 -6.430 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.074 -5.176 -6.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 5.977 -7.586 -8.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.786 -6.749 -8.325 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.717 -7.931 -9.289 1.00 0.00 H new ATOM 127 N VAL A 8 4.500 -0.388 -3.906 1.00 0.00 N ATOM 128 CA VAL A 8 3.875 0.904 -3.641 1.00 0.00 C ATOM 129 C VAL A 8 3.058 1.377 -4.836 1.00 0.00 C ATOM 130 O VAL A 8 3.405 1.104 -5.977 1.00 0.00 O ATOM 131 CB VAL A 8 4.930 1.988 -3.321 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.414 2.948 -2.261 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.255 1.368 -2.889 1.00 0.00 C ATOM 0 H VAL A 8 5.231 -0.362 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 8 3.223 0.760 -2.779 1.00 0.00 H new ATOM 0 HB VAL A 8 5.111 2.551 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.173 3.702 -2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.508 3.435 -2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.190 2.396 -1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.973 2.159 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.100 0.764 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.640 0.738 -3.691 1.00 0.00 H new ATOM 143 N VAL A 9 1.984 2.107 -4.572 1.00 0.00 N ATOM 144 CA VAL A 9 1.148 2.633 -5.644 1.00 0.00 C ATOM 145 C VAL A 9 0.886 4.120 -5.432 1.00 0.00 C ATOM 146 O VAL A 9 0.222 4.515 -4.471 1.00 0.00 O ATOM 147 CB VAL A 9 -0.200 1.887 -5.769 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.550 1.673 -7.235 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.174 0.564 -5.019 1.00 0.00 C ATOM 0 H VAL A 9 1.671 2.348 -3.631 1.00 0.00 H new ATOM 0 HA VAL A 9 1.698 2.479 -6.572 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.973 2.506 -5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.502 1.147 -7.309 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.630 2.638 -7.735 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.230 1.081 -7.713 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.137 0.065 -5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.612 -0.071 -5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.022 0.748 -3.963 1.00 0.00 H new ATOM 159 N ASP A 10 1.424 4.942 -6.329 1.00 0.00 N ATOM 160 CA ASP A 10 1.268 6.390 -6.240 1.00 0.00 C ATOM 161 C ASP A 10 1.566 7.052 -7.586 1.00 0.00 C ATOM 162 O ASP A 10 1.459 6.417 -8.636 1.00 0.00 O ATOM 163 CB ASP A 10 2.199 6.948 -5.153 1.00 0.00 C ATOM 164 CG ASP A 10 1.639 8.194 -4.490 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.551 8.647 -4.904 1.00 0.00 O ATOM 166 OD2 ASP A 10 2.290 8.719 -3.564 1.00 0.00 O ATOM 0 H ASP A 10 1.974 4.628 -7.129 1.00 0.00 H new ATOM 0 HA ASP A 10 0.235 6.613 -5.974 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.368 6.182 -4.396 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.169 7.180 -5.594 1.00 0.00 H new ATOM 171 N ASP A 11 1.930 8.330 -7.549 1.00 0.00 N ATOM 172 CA ASP A 11 2.238 9.088 -8.756 1.00 0.00 C ATOM 173 C ASP A 11 3.510 8.582 -9.443 1.00 0.00 C ATOM 174 O ASP A 11 3.918 9.123 -10.470 1.00 0.00 O ATOM 175 CB ASP A 11 2.386 10.573 -8.416 1.00 0.00 C ATOM 176 CG ASP A 11 2.321 11.465 -9.644 1.00 0.00 C ATOM 177 OD1 ASP A 11 1.587 11.117 -10.592 1.00 0.00 O ATOM 178 OD2 ASP A 11 3.004 12.511 -9.654 1.00 0.00 O ATOM 0 H ASP A 11 2.019 8.867 -6.686 1.00 0.00 H new ATOM 0 HA ASP A 11 1.410 8.949 -9.451 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.599 10.862 -7.720 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.336 10.732 -7.906 1.00 0.00 H new ATOM 183 N ASP A 12 4.137 7.546 -8.882 1.00 0.00 N ATOM 184 CA ASP A 12 5.354 6.988 -9.466 1.00 0.00 C ATOM 185 C ASP A 12 6.498 8.003 -9.410 1.00 0.00 C ATOM 186 O ASP A 12 6.463 8.939 -8.615 1.00 0.00 O ATOM 187 CB ASP A 12 5.084 6.553 -10.911 1.00 0.00 C ATOM 188 CG ASP A 12 5.330 5.072 -11.128 1.00 0.00 C ATOM 189 OD1 ASP A 12 4.830 4.262 -10.320 1.00 0.00 O ATOM 190 OD2 ASP A 12 6.021 4.723 -12.109 1.00 0.00 O ATOM 0 H ASP A 12 3.824 7.081 -8.030 1.00 0.00 H new ATOM 0 HA ASP A 12 5.654 6.115 -8.886 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.052 6.788 -11.171 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.721 7.126 -11.585 1.00 0.00 H new ATOM 195 N SER A 13 7.502 7.812 -10.272 1.00 0.00 N ATOM 196 CA SER A 13 8.659 8.698 -10.352 1.00 0.00 C ATOM 197 C SER A 13 9.071 9.266 -8.990 1.00 0.00 C ATOM 198 O SER A 13 9.881 8.667 -8.283 1.00 0.00 O ATOM 199 CB SER A 13 8.364 9.807 -11.356 1.00 0.00 C ATOM 200 OG SER A 13 9.553 10.280 -11.965 1.00 0.00 O ATOM 0 H SER A 13 7.532 7.036 -10.933 1.00 0.00 H new ATOM 0 HA SER A 13 9.514 8.113 -10.692 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.684 9.435 -12.122 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.858 10.631 -10.853 1.00 0.00 H new ATOM 0 HG SER A 13 9.333 10.989 -12.605 1.00 0.00 H new ATOM 206 N SER A 14 8.519 10.418 -8.632 1.00 0.00 N ATOM 207 CA SER A 14 8.839 11.059 -7.361 1.00 0.00 C ATOM 208 C SER A 14 8.622 10.103 -6.194 1.00 0.00 C ATOM 209 O SER A 14 9.540 9.830 -5.425 1.00 0.00 O ATOM 210 CB SER A 14 7.992 12.317 -7.169 1.00 0.00 C ATOM 211 OG SER A 14 8.712 13.478 -7.542 1.00 0.00 O ATOM 0 H SER A 14 7.847 10.929 -9.204 1.00 0.00 H new ATOM 0 HA SER A 14 9.892 11.339 -7.384 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.083 12.242 -7.766 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.683 12.396 -6.127 1.00 0.00 H new ATOM 0 HG SER A 14 8.148 14.269 -7.412 1.00 0.00 H new ATOM 217 N ILE A 15 7.403 9.593 -6.070 1.00 0.00 N ATOM 218 CA ILE A 15 7.077 8.665 -4.998 1.00 0.00 C ATOM 219 C ILE A 15 7.853 7.365 -5.151 1.00 0.00 C ATOM 220 O ILE A 15 8.083 6.647 -4.178 1.00 0.00 O ATOM 221 CB ILE A 15 5.570 8.354 -4.954 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.759 9.650 -5.033 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.226 7.578 -3.689 1.00 0.00 C ATOM 224 CD1 ILE A 15 4.973 10.573 -3.851 1.00 0.00 C ATOM 0 H ILE A 15 6.627 9.806 -6.697 1.00 0.00 H new ATOM 0 HA ILE A 15 7.360 9.149 -4.063 1.00 0.00 H new ATOM 0 HB ILE A 15 5.314 7.736 -5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.023 10.179 -5.949 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.700 9.402 -5.103 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.157 7.365 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.783 6.641 -3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.492 8.172 -2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.367 11.470 -3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.681 10.063 -2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.025 10.851 -3.792 1.00 0.00 H new ATOM 236 N ARG A 16 8.254 7.069 -6.383 1.00 0.00 N ATOM 237 CA ARG A 16 9.008 5.853 -6.668 1.00 0.00 C ATOM 238 C ARG A 16 10.425 5.942 -6.115 1.00 0.00 C ATOM 239 O ARG A 16 10.844 5.105 -5.317 1.00 0.00 O ATOM 240 CB ARG A 16 9.056 5.593 -8.177 1.00 0.00 C ATOM 241 CG ARG A 16 9.757 4.293 -8.549 1.00 0.00 C ATOM 242 CD ARG A 16 10.514 4.426 -9.864 1.00 0.00 C ATOM 243 NE ARG A 16 9.608 4.484 -11.011 1.00 0.00 N ATOM 244 CZ ARG A 16 9.249 3.428 -11.739 1.00 0.00 C ATOM 245 NH1 ARG A 16 9.726 2.220 -11.461 1.00 0.00 N ATOM 246 NH2 ARG A 16 8.407 3.579 -12.753 1.00 0.00 N ATOM 0 H ARG A 16 8.070 7.653 -7.199 1.00 0.00 H new ATOM 0 HA ARG A 16 8.498 5.024 -6.178 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.038 5.572 -8.566 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.566 6.424 -8.664 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.450 4.011 -7.756 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.022 3.492 -8.630 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.128 5.326 -9.840 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.192 3.581 -9.980 1.00 0.00 H new ATOM 0 HE ARG A 16 9.226 5.393 -11.270 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.374 2.094 -10.683 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.444 1.418 -12.025 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.036 4.503 -12.974 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.131 2.771 -13.311 1.00 0.00 H new ATOM 260 N TRP A 17 11.164 6.953 -6.557 1.00 0.00 N ATOM 261 CA TRP A 17 12.542 7.140 -6.120 1.00 0.00 C ATOM 262 C TRP A 17 12.664 7.194 -4.599 1.00 0.00 C ATOM 263 O TRP A 17 13.641 6.707 -4.031 1.00 0.00 O ATOM 264 CB TRP A 17 13.131 8.415 -6.726 1.00 0.00 C ATOM 265 CG TRP A 17 14.585 8.589 -6.406 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.628 7.903 -6.956 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.156 9.493 -5.452 1.00 0.00 C ATOM 268 NE1 TRP A 17 16.813 8.326 -6.407 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.551 9.302 -5.482 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.627 10.447 -4.579 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.420 10.028 -4.672 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.491 11.168 -3.775 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.874 10.956 -3.827 1.00 0.00 C ATOM 0 H TRP A 17 10.832 7.656 -7.218 1.00 0.00 H new ATOM 0 HA TRP A 17 13.104 6.274 -6.471 1.00 0.00 H new ATOM 0 HB2 TRP A 17 13.002 8.392 -7.808 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.576 9.278 -6.357 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.535 7.138 -7.713 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.738 7.971 -6.649 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.562 10.618 -4.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.487 9.865 -4.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.092 11.907 -3.096 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.523 11.536 -3.188 1.00 0.00 H new ATOM 284 N VAL A 18 11.689 7.810 -3.944 1.00 0.00 N ATOM 285 CA VAL A 18 11.721 7.950 -2.493 1.00 0.00 C ATOM 286 C VAL A 18 11.565 6.616 -1.769 1.00 0.00 C ATOM 287 O VAL A 18 12.301 6.322 -0.828 1.00 0.00 O ATOM 288 CB VAL A 18 10.639 8.928 -1.990 1.00 0.00 C ATOM 289 CG1 VAL A 18 10.894 9.304 -0.539 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.586 10.178 -2.854 1.00 0.00 C ATOM 0 H VAL A 18 10.869 8.219 -4.391 1.00 0.00 H new ATOM 0 HA VAL A 18 12.707 8.352 -2.261 1.00 0.00 H new ATOM 0 HB VAL A 18 9.675 8.425 -2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.121 9.994 -0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.874 8.406 0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.870 9.782 -0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.815 10.849 -2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.552 10.682 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.353 9.900 -3.882 1.00 0.00 H new ATOM 300 N LEU A 19 10.592 5.826 -2.188 1.00 0.00 N ATOM 301 CA LEU A 19 10.329 4.540 -1.553 1.00 0.00 C ATOM 302 C LEU A 19 11.214 3.419 -2.093 1.00 0.00 C ATOM 303 O LEU A 19 11.488 2.447 -1.388 1.00 0.00 O ATOM 304 CB LEU A 19 8.853 4.159 -1.704 1.00 0.00 C ATOM 305 CG LEU A 19 8.152 3.779 -0.397 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.841 2.595 0.263 1.00 0.00 C ATOM 307 CD2 LEU A 19 8.127 4.970 0.544 1.00 0.00 C ATOM 0 H LEU A 19 9.970 6.049 -2.965 1.00 0.00 H new ATOM 0 HA LEU A 19 10.571 4.660 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.320 4.996 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.777 3.321 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 19 7.127 3.488 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.325 2.344 1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.816 1.738 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.877 2.853 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.627 4.691 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.148 5.282 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.588 5.793 0.075 1.00 0.00 H new ATOM 319 N GLU A 20 11.649 3.540 -3.338 1.00 0.00 N ATOM 320 CA GLU A 20 12.486 2.506 -3.944 1.00 0.00 C ATOM 321 C GLU A 20 13.854 2.418 -3.274 1.00 0.00 C ATOM 322 O GLU A 20 14.230 1.371 -2.748 1.00 0.00 O ATOM 323 CB GLU A 20 12.644 2.727 -5.455 1.00 0.00 C ATOM 324 CG GLU A 20 13.506 3.915 -5.849 1.00 0.00 C ATOM 325 CD GLU A 20 13.515 4.154 -7.348 1.00 0.00 C ATOM 326 OE1 GLU A 20 12.494 4.636 -7.879 1.00 0.00 O ATOM 327 OE2 GLU A 20 14.548 3.867 -7.988 1.00 0.00 O ATOM 0 H GLU A 20 11.442 4.333 -3.946 1.00 0.00 H new ATOM 0 HA GLU A 20 11.975 1.556 -3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.072 1.826 -5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.654 2.856 -5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.140 4.809 -5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.527 3.749 -5.504 1.00 0.00 H new ATOM 334 N ARG A 21 14.596 3.513 -3.308 1.00 0.00 N ATOM 335 CA ARG A 21 15.932 3.557 -2.720 1.00 0.00 C ATOM 336 C ARG A 21 15.888 3.428 -1.200 1.00 0.00 C ATOM 337 O ARG A 21 16.641 2.649 -0.616 1.00 0.00 O ATOM 338 CB ARG A 21 16.641 4.855 -3.116 1.00 0.00 C ATOM 339 CG ARG A 21 16.874 4.985 -4.613 1.00 0.00 C ATOM 340 CD ARG A 21 18.346 4.848 -4.968 1.00 0.00 C ATOM 341 NE ARG A 21 19.076 6.097 -4.757 1.00 0.00 N ATOM 342 CZ ARG A 21 20.091 6.236 -3.908 1.00 0.00 C ATOM 343 NH1 ARG A 21 20.506 5.210 -3.171 1.00 0.00 N ATOM 344 NH2 ARG A 21 20.694 7.410 -3.790 1.00 0.00 N ATOM 0 H ARG A 21 14.297 4.389 -3.738 1.00 0.00 H new ATOM 0 HA ARG A 21 16.490 2.705 -3.109 1.00 0.00 H new ATOM 0 HB2 ARG A 21 16.048 5.703 -2.773 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.600 4.908 -2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.301 4.221 -5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.506 5.952 -4.956 1.00 0.00 H new ATOM 0 HD2 ARG A 21 18.793 4.059 -4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 21 18.441 4.543 -6.010 1.00 0.00 H new ATOM 0 HE ARG A 21 18.789 6.914 -5.295 1.00 0.00 H new ATOM 0 HH11 ARG A 21 20.045 4.304 -3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 21 21.285 5.329 -2.524 1.00 0.00 H new ATOM 0 HH21 ARG A 21 20.380 8.203 -4.349 1.00 0.00 H new ATOM 0 HH22 ARG A 21 21.472 7.520 -3.140 1.00 0.00 H new ATOM 358 N ALA A 22 15.014 4.197 -0.561 1.00 0.00 N ATOM 359 CA ALA A 22 14.892 4.162 0.892 1.00 0.00 C ATOM 360 C ALA A 22 14.567 2.766 1.388 1.00 0.00 C ATOM 361 O ALA A 22 15.275 2.213 2.230 1.00 0.00 O ATOM 362 CB ALA A 22 13.844 5.160 1.364 1.00 0.00 C ATOM 0 H ALA A 22 14.382 4.850 -1.024 1.00 0.00 H new ATOM 0 HA ALA A 22 15.856 4.445 1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.767 5.120 2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.135 6.165 1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.879 4.911 0.922 1.00 0.00 H new ATOM 368 N LEU A 23 13.504 2.197 0.854 1.00 0.00 N ATOM 369 CA LEU A 23 13.100 0.854 1.240 1.00 0.00 C ATOM 370 C LEU A 23 14.131 -0.162 0.757 1.00 0.00 C ATOM 371 O LEU A 23 14.263 -1.249 1.322 1.00 0.00 O ATOM 372 CB LEU A 23 11.708 0.525 0.691 1.00 0.00 C ATOM 373 CG LEU A 23 10.925 -0.556 1.453 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.279 -0.569 2.936 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.430 -0.351 1.279 1.00 0.00 C ATOM 0 H LEU A 23 12.906 2.638 0.156 1.00 0.00 H new ATOM 0 HA LEU A 23 13.048 0.805 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.115 1.440 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.813 0.207 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 23 11.207 -1.521 1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.705 -1.346 3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.344 -0.770 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.042 0.400 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.891 -1.125 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.150 0.629 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.176 -0.409 0.221 1.00 0.00 H new ATOM 387 N ALA A 24 14.882 0.212 -0.273 1.00 0.00 N ATOM 388 CA ALA A 24 15.920 -0.655 -0.797 1.00 0.00 C ATOM 389 C ALA A 24 17.044 -0.753 0.219 1.00 0.00 C ATOM 390 O ALA A 24 17.640 -1.816 0.406 1.00 0.00 O ATOM 391 CB ALA A 24 16.438 -0.136 -2.132 1.00 0.00 C ATOM 0 H ALA A 24 14.789 1.105 -0.756 1.00 0.00 H new ATOM 0 HA ALA A 24 15.506 -1.648 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.215 -0.803 -2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.619 -0.097 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.851 0.864 -1.998 1.00 0.00 H new ATOM 397 N GLY A 25 17.306 0.359 0.901 1.00 0.00 N ATOM 398 CA GLY A 25 18.331 0.368 1.922 1.00 0.00 C ATOM 399 C GLY A 25 17.980 -0.578 3.051 1.00 0.00 C ATOM 400 O GLY A 25 18.860 -1.083 3.746 1.00 0.00 O ATOM 0 H GLY A 25 16.827 1.249 0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.287 0.080 1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.451 1.378 2.313 1.00 0.00 H new ATOM 404 N ALA A 26 16.680 -0.824 3.226 1.00 0.00 N ATOM 405 CA ALA A 26 16.214 -1.721 4.266 1.00 0.00 C ATOM 406 C ALA A 26 16.428 -3.180 3.869 1.00 0.00 C ATOM 407 O ALA A 26 16.400 -4.071 4.716 1.00 0.00 O ATOM 408 CB ALA A 26 14.747 -1.464 4.577 1.00 0.00 C ATOM 0 H ALA A 26 15.939 -0.412 2.659 1.00 0.00 H new ATOM 0 HA ALA A 26 16.799 -1.526 5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.416 -2.147 5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.622 -0.436 4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.151 -1.625 3.679 1.00 0.00 H new ATOM 414 N GLY A 27 16.668 -3.416 2.578 1.00 0.00 N ATOM 415 CA GLY A 27 16.911 -4.770 2.114 1.00 0.00 C ATOM 416 C GLY A 27 15.700 -5.437 1.477 1.00 0.00 C ATOM 417 O GLY A 27 15.599 -6.664 1.492 1.00 0.00 O ATOM 0 H GLY A 27 16.698 -2.699 1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.726 -4.753 1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.245 -5.376 2.956 1.00 0.00 H new ATOM 421 N LEU A 28 14.777 -4.654 0.915 1.00 0.00 N ATOM 422 CA LEU A 28 13.591 -5.228 0.285 1.00 0.00 C ATOM 423 C LEU A 28 13.406 -4.721 -1.144 1.00 0.00 C ATOM 424 O LEU A 28 14.086 -3.791 -1.579 1.00 0.00 O ATOM 425 CB LEU A 28 12.330 -4.935 1.104 1.00 0.00 C ATOM 426 CG LEU A 28 12.562 -4.582 2.572 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.732 -3.095 2.723 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.414 -5.088 3.432 1.00 0.00 C ATOM 0 H LEU A 28 14.827 -3.636 0.884 1.00 0.00 H new ATOM 0 HA LEU A 28 13.747 -6.306 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.795 -4.111 0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.678 -5.807 1.058 1.00 0.00 H new ATOM 0 HG LEU A 28 13.475 -5.071 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.897 -2.852 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.589 -2.765 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.834 -2.588 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.598 -4.827 4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.482 -4.629 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.338 -6.171 3.337 1.00 0.00 H new ATOM 440 N THR A 29 12.468 -5.339 -1.864 1.00 0.00 N ATOM 441 CA THR A 29 12.172 -4.956 -3.246 1.00 0.00 C ATOM 442 C THR A 29 11.001 -3.985 -3.289 1.00 0.00 C ATOM 443 O THR A 29 9.850 -4.379 -3.098 1.00 0.00 O ATOM 444 CB THR A 29 11.848 -6.197 -4.088 1.00 0.00 C ATOM 445 OG1 THR A 29 12.975 -7.051 -4.198 1.00 0.00 O ATOM 446 CG2 THR A 29 11.382 -5.871 -5.495 1.00 0.00 C ATOM 0 H THR A 29 11.899 -6.109 -1.512 1.00 0.00 H new ATOM 0 HA THR A 29 13.053 -4.467 -3.661 1.00 0.00 H new ATOM 0 HB THR A 29 11.033 -6.689 -3.556 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.740 -7.834 -4.738 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.171 -6.796 -6.032 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.477 -5.265 -5.447 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.162 -5.318 -6.018 1.00 0.00 H new ATOM 454 N CYS A 30 11.297 -2.715 -3.534 1.00 0.00 N ATOM 455 CA CYS A 30 10.264 -1.691 -3.587 1.00 0.00 C ATOM 456 C CYS A 30 9.985 -1.236 -5.016 1.00 0.00 C ATOM 457 O CYS A 30 10.820 -0.599 -5.657 1.00 0.00 O ATOM 458 CB CYS A 30 10.661 -0.493 -2.728 1.00 0.00 C ATOM 459 SG CYS A 30 9.474 0.870 -2.778 1.00 0.00 S ATOM 0 H CYS A 30 12.243 -2.371 -3.699 1.00 0.00 H new ATOM 0 HA CYS A 30 9.348 -2.133 -3.194 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.778 -0.822 -1.695 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.633 -0.127 -3.059 1.00 0.00 H new ATOM 0 HG CYS A 30 9.229 1.186 -4.015 1.00 0.00 H new ATOM 465 N THR A 31 8.783 -1.543 -5.489 1.00 0.00 N ATOM 466 CA THR A 31 8.354 -1.149 -6.820 1.00 0.00 C ATOM 467 C THR A 31 7.163 -0.203 -6.687 1.00 0.00 C ATOM 468 O THR A 31 6.469 -0.221 -5.671 1.00 0.00 O ATOM 469 CB THR A 31 7.968 -2.373 -7.656 1.00 0.00 C ATOM 470 OG1 THR A 31 8.020 -2.074 -9.039 1.00 0.00 O ATOM 471 CG2 THR A 31 6.573 -2.863 -7.365 1.00 0.00 C ATOM 0 H THR A 31 8.085 -2.068 -4.963 1.00 0.00 H new ATOM 0 HA THR A 31 9.176 -0.646 -7.330 1.00 0.00 H new ATOM 0 HB THR A 31 8.687 -3.147 -7.387 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.772 -2.869 -9.555 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.355 -3.732 -7.987 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.497 -3.141 -6.314 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.856 -2.071 -7.584 1.00 0.00 H new ATOM 479 N THR A 32 6.929 0.624 -7.692 1.00 0.00 N ATOM 480 CA THR A 32 5.824 1.565 -7.637 1.00 0.00 C ATOM 481 C THR A 32 4.930 1.453 -8.860 1.00 0.00 C ATOM 482 O THR A 32 5.330 0.933 -9.899 1.00 0.00 O ATOM 483 CB THR A 32 6.353 2.978 -7.482 1.00 0.00 C ATOM 484 OG1 THR A 32 6.978 3.413 -8.676 1.00 0.00 O ATOM 485 CG2 THR A 32 7.352 3.090 -6.352 1.00 0.00 C ATOM 0 H THR A 32 7.483 0.663 -8.547 1.00 0.00 H new ATOM 0 HA THR A 32 5.213 1.319 -6.768 1.00 0.00 H new ATOM 0 HB THR A 32 5.492 3.607 -7.255 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.294 3.635 -9.341 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.704 4.119 -6.278 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.876 2.801 -5.415 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.198 2.431 -6.547 1.00 0.00 H new ATOM 493 N PHE A 33 3.702 1.920 -8.704 1.00 0.00 N ATOM 494 CA PHE A 33 2.714 1.850 -9.765 1.00 0.00 C ATOM 495 C PHE A 33 2.068 3.211 -10.028 1.00 0.00 C ATOM 496 O PHE A 33 2.357 4.192 -9.343 1.00 0.00 O ATOM 497 CB PHE A 33 1.677 0.795 -9.417 1.00 0.00 C ATOM 498 CG PHE A 33 2.267 -0.574 -9.228 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.047 -0.835 -8.121 1.00 0.00 C ATOM 500 CD2 PHE A 33 2.040 -1.598 -10.137 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.593 -2.082 -7.914 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.581 -2.852 -9.932 1.00 0.00 C ATOM 503 CZ PHE A 33 3.358 -3.097 -8.822 1.00 0.00 C ATOM 0 H PHE A 33 3.365 2.355 -7.845 1.00 0.00 H new ATOM 0 HA PHE A 33 3.212 1.563 -10.691 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.160 1.090 -8.504 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.929 0.755 -10.208 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.233 -0.048 -7.405 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.435 -1.413 -11.012 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.204 -2.267 -7.043 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.394 -3.642 -10.644 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.782 -4.077 -8.662 1.00 0.00 H new ATOM 513 N GLU A 34 1.234 3.272 -11.065 1.00 0.00 N ATOM 514 CA GLU A 34 0.593 4.522 -11.472 1.00 0.00 C ATOM 515 C GLU A 34 -0.350 5.103 -10.409 1.00 0.00 C ATOM 516 O GLU A 34 -0.403 6.323 -10.247 1.00 0.00 O ATOM 517 CB GLU A 34 -0.176 4.307 -12.781 1.00 0.00 C ATOM 518 CG GLU A 34 -1.402 3.419 -12.637 1.00 0.00 C ATOM 519 CD GLU A 34 -1.507 2.379 -13.737 1.00 0.00 C ATOM 520 OE1 GLU A 34 -0.889 2.576 -14.804 1.00 0.00 O ATOM 521 OE2 GLU A 34 -2.211 1.366 -13.529 1.00 0.00 O ATOM 0 H GLU A 34 0.986 2.467 -11.641 1.00 0.00 H new ATOM 0 HA GLU A 34 1.393 5.250 -11.610 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.485 5.276 -13.172 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.496 3.866 -13.517 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.370 2.917 -11.670 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.298 4.040 -12.644 1.00 0.00 H new ATOM 528 N ASN A 35 -1.092 4.266 -9.683 1.00 0.00 N ATOM 529 CA ASN A 35 -2.005 4.783 -8.657 1.00 0.00 C ATOM 530 C ASN A 35 -2.671 3.677 -7.853 1.00 0.00 C ATOM 531 O ASN A 35 -2.814 3.781 -6.635 1.00 0.00 O ATOM 532 CB ASN A 35 -3.078 5.666 -9.288 1.00 0.00 C ATOM 533 CG ASN A 35 -3.828 4.958 -10.398 1.00 0.00 C ATOM 534 OD1 ASN A 35 -4.536 3.979 -10.160 1.00 0.00 O ATOM 535 ND2 ASN A 35 -3.678 5.452 -11.619 1.00 0.00 N ATOM 0 H ASN A 35 -1.083 3.251 -9.780 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.396 5.371 -7.971 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.784 5.981 -8.519 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.615 6.569 -9.685 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.159 5.019 -12.407 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.081 6.265 -11.770 1.00 0.00 H new ATOM 542 N GLY A 36 -3.073 2.620 -8.536 1.00 0.00 N ATOM 543 CA GLY A 36 -3.718 1.505 -7.863 1.00 0.00 C ATOM 544 C GLY A 36 -4.073 0.379 -8.807 1.00 0.00 C ATOM 545 O GLY A 36 -3.811 -0.788 -8.518 1.00 0.00 O ATOM 0 H GLY A 36 -2.966 2.509 -9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.057 1.125 -7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.623 1.859 -7.369 1.00 0.00 H new ATOM 549 N ASN A 37 -4.678 0.725 -9.933 1.00 0.00 N ATOM 550 CA ASN A 37 -5.076 -0.273 -10.912 1.00 0.00 C ATOM 551 C ASN A 37 -3.869 -1.039 -11.447 1.00 0.00 C ATOM 552 O ASN A 37 -3.983 -2.207 -11.822 1.00 0.00 O ATOM 553 CB ASN A 37 -5.850 0.377 -12.059 1.00 0.00 C ATOM 554 CG ASN A 37 -7.237 -0.218 -12.229 1.00 0.00 C ATOM 555 OD1 ASN A 37 -7.963 -0.353 -11.124 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -7.651 -0.549 -13.341 1.00 0.00 N flip ATOM 0 H ASN A 37 -4.903 1.686 -10.190 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.730 -0.987 -10.412 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.937 1.448 -11.875 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.290 0.257 -12.986 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.059 -0.427 -14.163 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.586 -0.945 -13.440 1.00 0.00 H new ATOM 563 N GLU A 38 -2.716 -0.383 -11.486 1.00 0.00 N ATOM 564 CA GLU A 38 -1.504 -1.021 -11.982 1.00 0.00 C ATOM 565 C GLU A 38 -1.140 -2.256 -11.157 1.00 0.00 C ATOM 566 O GLU A 38 -0.912 -3.327 -11.718 1.00 0.00 O ATOM 567 CB GLU A 38 -0.341 -0.037 -11.988 1.00 0.00 C ATOM 568 CG GLU A 38 0.535 -0.138 -13.228 1.00 0.00 C ATOM 569 CD GLU A 38 1.872 0.558 -13.060 1.00 0.00 C ATOM 570 OE1 GLU A 38 2.797 -0.060 -12.492 1.00 0.00 O ATOM 571 OE2 GLU A 38 1.995 1.720 -13.502 1.00 0.00 O ATOM 0 H GLU A 38 -2.595 0.583 -11.183 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.702 -1.343 -13.004 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.733 0.977 -11.912 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.274 -0.208 -11.104 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.704 -1.189 -13.463 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.008 0.298 -14.077 1.00 0.00 H new ATOM 578 N VAL A 39 -1.076 -2.118 -9.828 1.00 0.00 N ATOM 579 CA VAL A 39 -0.726 -3.255 -8.978 1.00 0.00 C ATOM 580 C VAL A 39 -1.605 -4.465 -9.275 1.00 0.00 C ATOM 581 O VAL A 39 -1.126 -5.595 -9.313 1.00 0.00 O ATOM 582 CB VAL A 39 -0.842 -2.920 -7.485 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.264 -4.042 -6.645 1.00 0.00 C ATOM 584 CG2 VAL A 39 -0.144 -1.611 -7.176 1.00 0.00 C ATOM 0 H VAL A 39 -1.258 -1.248 -9.328 1.00 0.00 H new ATOM 0 HA VAL A 39 0.313 -3.491 -9.207 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.898 -2.811 -7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.354 -3.789 -5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.809 -4.964 -6.845 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.787 -4.180 -6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.237 -1.391 -6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.911 -1.690 -7.439 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.603 -0.809 -7.754 1.00 0.00 H new ATOM 594 N LEU A 40 -2.893 -4.218 -9.481 1.00 0.00 N ATOM 595 CA LEU A 40 -3.838 -5.296 -9.772 1.00 0.00 C ATOM 596 C LEU A 40 -3.373 -6.122 -10.969 1.00 0.00 C ATOM 597 O LEU A 40 -3.386 -7.353 -10.929 1.00 0.00 O ATOM 598 CB LEU A 40 -5.236 -4.741 -10.055 1.00 0.00 C ATOM 599 CG LEU A 40 -5.655 -3.529 -9.226 1.00 0.00 C ATOM 600 CD1 LEU A 40 -6.967 -2.980 -9.751 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.777 -3.890 -7.751 1.00 0.00 C ATOM 0 H LEU A 40 -3.308 -3.287 -9.453 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.881 -5.936 -8.890 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.292 -4.472 -11.110 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.962 -5.537 -9.890 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.885 -2.762 -9.317 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.263 -2.115 -9.157 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.846 -2.681 -10.792 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.737 -3.749 -9.682 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.077 -3.008 -7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.526 -4.672 -7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.815 -4.248 -7.383 1.00 0.00 H new ATOM 613 N ALA A 41 -2.970 -5.436 -12.036 1.00 0.00 N ATOM 614 CA ALA A 41 -2.507 -6.102 -13.249 1.00 0.00 C ATOM 615 C ALA A 41 -1.229 -6.885 -12.999 1.00 0.00 C ATOM 616 O ALA A 41 -1.124 -8.059 -13.357 1.00 0.00 O ATOM 617 CB ALA A 41 -2.297 -5.087 -14.360 1.00 0.00 C ATOM 0 H ALA A 41 -2.955 -4.417 -12.084 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.277 -6.810 -13.557 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.952 -5.598 -15.259 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.238 -4.578 -14.571 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.551 -4.356 -14.049 1.00 0.00 H new ATOM 623 N ALA A 42 -0.269 -6.232 -12.374 1.00 0.00 N ATOM 624 CA ALA A 42 1.003 -6.862 -12.057 1.00 0.00 C ATOM 625 C ALA A 42 0.792 -7.967 -11.036 1.00 0.00 C ATOM 626 O ALA A 42 1.485 -8.984 -11.039 1.00 0.00 O ATOM 627 CB ALA A 42 1.991 -5.829 -11.534 1.00 0.00 C ATOM 0 H ALA A 42 -0.344 -5.260 -12.073 1.00 0.00 H new ATOM 0 HA ALA A 42 1.418 -7.300 -12.965 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.938 -6.316 -11.301 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.154 -5.064 -12.293 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.590 -5.366 -10.632 1.00 0.00 H new ATOM 633 N LEU A 43 -0.183 -7.751 -10.168 1.00 0.00 N ATOM 634 CA LEU A 43 -0.520 -8.707 -9.130 1.00 0.00 C ATOM 635 C LEU A 43 -0.948 -10.041 -9.731 1.00 0.00 C ATOM 636 O LEU A 43 -0.842 -11.085 -9.087 1.00 0.00 O ATOM 637 CB LEU A 43 -1.640 -8.146 -8.257 1.00 0.00 C ATOM 638 CG LEU A 43 -1.181 -7.427 -6.996 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.345 -6.686 -6.352 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.578 -8.428 -6.023 1.00 0.00 C ATOM 0 H LEU A 43 -0.761 -6.910 -10.164 1.00 0.00 H new ATOM 0 HA LEU A 43 0.367 -8.879 -8.520 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.233 -7.454 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.300 -8.965 -7.969 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.419 -6.694 -7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.999 -6.178 -5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.742 -5.952 -7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.128 -7.397 -6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.251 -7.908 -5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.326 -9.175 -5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.276 -8.919 -6.489 1.00 0.00 H new ATOM 652 N ALA A 44 -1.438 -9.998 -10.961 1.00 0.00 N ATOM 653 CA ALA A 44 -1.890 -11.201 -11.647 1.00 0.00 C ATOM 654 C ALA A 44 -0.757 -12.207 -11.832 1.00 0.00 C ATOM 655 O ALA A 44 -1.002 -13.382 -12.107 1.00 0.00 O ATOM 656 CB ALA A 44 -2.498 -10.842 -12.995 1.00 0.00 C ATOM 0 H ALA A 44 -1.533 -9.141 -11.506 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.650 -11.670 -11.023 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.832 -11.750 -13.497 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.348 -10.177 -12.845 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.750 -10.341 -13.610 1.00 0.00 H new ATOM 662 N SER A 45 0.482 -11.746 -11.686 1.00 0.00 N ATOM 663 CA SER A 45 1.638 -12.612 -11.849 1.00 0.00 C ATOM 664 C SER A 45 2.558 -12.574 -10.630 1.00 0.00 C ATOM 665 O SER A 45 3.574 -13.268 -10.596 1.00 0.00 O ATOM 666 CB SER A 45 2.419 -12.219 -13.103 1.00 0.00 C ATOM 667 OG SER A 45 1.884 -12.847 -14.254 1.00 0.00 O ATOM 0 H SER A 45 0.708 -10.778 -11.455 1.00 0.00 H new ATOM 0 HA SER A 45 1.269 -13.632 -11.953 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.390 -11.137 -13.229 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.466 -12.499 -12.986 1.00 0.00 H new ATOM 0 HG SER A 45 2.400 -12.578 -15.043 1.00 0.00 H new ATOM 673 N LYS A 46 2.207 -11.771 -9.628 1.00 0.00 N ATOM 674 CA LYS A 46 3.021 -11.674 -8.427 1.00 0.00 C ATOM 675 C LYS A 46 2.219 -11.091 -7.268 1.00 0.00 C ATOM 676 O LYS A 46 1.173 -10.481 -7.469 1.00 0.00 O ATOM 677 CB LYS A 46 4.267 -10.828 -8.695 1.00 0.00 C ATOM 678 CG LYS A 46 5.530 -11.385 -8.059 1.00 0.00 C ATOM 679 CD LYS A 46 6.324 -10.295 -7.358 1.00 0.00 C ATOM 680 CE LYS A 46 7.821 -10.458 -7.581 1.00 0.00 C ATOM 681 NZ LYS A 46 8.448 -9.199 -8.068 1.00 0.00 N ATOM 0 H LYS A 46 1.372 -11.185 -9.626 1.00 0.00 H new ATOM 0 HA LYS A 46 3.335 -12.680 -8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.417 -10.749 -9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.097 -9.818 -8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.266 -12.163 -7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.149 -11.853 -8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.005 -9.319 -7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.110 -10.319 -6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.296 -10.764 -6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.996 -11.255 -8.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.467 -9.350 -8.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.012 -8.921 -8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.303 -8.445 -7.366 1.00 0.00 H new ATOM 695 N THR A 47 2.717 -11.291 -6.052 1.00 0.00 N ATOM 696 CA THR A 47 2.049 -10.794 -4.864 1.00 0.00 C ATOM 697 C THR A 47 3.051 -10.211 -3.873 1.00 0.00 C ATOM 698 O THR A 47 3.896 -10.934 -3.343 1.00 0.00 O ATOM 699 CB THR A 47 1.256 -11.918 -4.193 1.00 0.00 C ATOM 700 OG1 THR A 47 0.341 -12.502 -5.105 1.00 0.00 O ATOM 701 CG2 THR A 47 0.472 -11.457 -2.986 1.00 0.00 C ATOM 0 H THR A 47 3.584 -11.796 -5.868 1.00 0.00 H new ATOM 0 HA THR A 47 1.366 -10.002 -5.171 1.00 0.00 H new ATOM 0 HB THR A 47 2.002 -12.643 -3.866 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.155 -13.219 -4.657 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.067 -12.302 -2.558 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.156 -11.048 -2.242 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.239 -10.687 -3.286 1.00 0.00 H new ATOM 709 N PRO A 48 2.976 -8.897 -3.593 1.00 0.00 N ATOM 710 CA PRO A 48 3.887 -8.254 -2.649 1.00 0.00 C ATOM 711 C PRO A 48 3.543 -8.596 -1.206 1.00 0.00 C ATOM 712 O PRO A 48 2.379 -8.824 -0.876 1.00 0.00 O ATOM 713 CB PRO A 48 3.673 -6.765 -2.912 1.00 0.00 C ATOM 714 CG PRO A 48 2.270 -6.667 -3.403 1.00 0.00 C ATOM 715 CD PRO A 48 2.000 -7.942 -4.160 1.00 0.00 C ATOM 0 HA PRO A 48 4.919 -8.578 -2.784 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.817 -6.178 -2.005 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.379 -6.388 -3.652 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.574 -6.553 -2.572 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.143 -5.797 -4.047 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.975 -8.284 -4.017 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.145 -7.810 -5.232 1.00 0.00 H new ATOM 723 N ASP A 49 4.555 -8.635 -0.351 1.00 0.00 N ATOM 724 CA ASP A 49 4.343 -8.952 1.056 1.00 0.00 C ATOM 725 C ASP A 49 3.693 -7.777 1.782 1.00 0.00 C ATOM 726 O ASP A 49 3.025 -7.959 2.801 1.00 0.00 O ATOM 727 CB ASP A 49 5.667 -9.323 1.729 1.00 0.00 C ATOM 728 CG ASP A 49 6.353 -10.491 1.049 1.00 0.00 C ATOM 729 OD1 ASP A 49 6.756 -10.343 -0.124 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.490 -11.554 1.690 1.00 0.00 O ATOM 0 H ASP A 49 5.526 -8.452 -0.604 1.00 0.00 H new ATOM 0 HA ASP A 49 3.671 -9.808 1.113 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.331 -8.459 1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.483 -9.571 2.774 1.00 0.00 H new ATOM 735 N VAL A 50 3.891 -6.572 1.249 1.00 0.00 N ATOM 736 CA VAL A 50 3.324 -5.370 1.846 1.00 0.00 C ATOM 737 C VAL A 50 2.978 -4.333 0.770 1.00 0.00 C ATOM 738 O VAL A 50 3.856 -3.634 0.266 1.00 0.00 O ATOM 739 CB VAL A 50 4.301 -4.749 2.862 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.633 -4.441 2.198 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.700 -3.503 3.491 1.00 0.00 C ATOM 0 H VAL A 50 4.440 -6.405 0.406 1.00 0.00 H new ATOM 0 HA VAL A 50 2.410 -5.661 2.363 1.00 0.00 H new ATOM 0 HB VAL A 50 4.480 -5.472 3.658 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.312 -4.003 2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.066 -5.362 1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.478 -3.737 1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.406 -3.080 4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.487 -2.770 2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.776 -3.765 4.006 1.00 0.00 H new ATOM 751 N LEU A 51 1.691 -4.238 0.432 1.00 0.00 N ATOM 752 CA LEU A 51 1.228 -3.287 -0.583 1.00 0.00 C ATOM 753 C LEU A 51 0.928 -1.920 0.038 1.00 0.00 C ATOM 754 O LEU A 51 0.283 -1.829 1.082 1.00 0.00 O ATOM 755 CB LEU A 51 -0.024 -3.834 -1.284 1.00 0.00 C ATOM 756 CG LEU A 51 -0.439 -3.095 -2.561 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.728 -3.023 -3.536 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.641 -3.773 -3.214 1.00 0.00 C ATOM 0 H LEU A 51 0.951 -4.806 0.845 1.00 0.00 H new ATOM 0 HA LEU A 51 2.024 -3.159 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.147 -4.882 -1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.856 -3.804 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.728 -2.080 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.417 -2.495 -4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.558 -2.490 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.046 -4.032 -3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.918 -3.231 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.384 -4.801 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.481 -3.772 -2.519 1.00 0.00 H new ATOM 770 N LEU A 52 1.398 -0.858 -0.617 1.00 0.00 N ATOM 771 CA LEU A 52 1.178 0.507 -0.137 1.00 0.00 C ATOM 772 C LEU A 52 0.450 1.330 -1.195 1.00 0.00 C ATOM 773 O LEU A 52 0.923 1.451 -2.322 1.00 0.00 O ATOM 774 CB LEU A 52 2.515 1.169 0.204 1.00 0.00 C ATOM 775 CG LEU A 52 2.470 2.167 1.362 1.00 0.00 C ATOM 776 CD1 LEU A 52 3.861 2.719 1.642 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.498 3.298 1.055 1.00 0.00 C ATOM 0 H LEU A 52 1.934 -0.917 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 52 0.563 0.463 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.237 0.389 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.885 1.683 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 52 2.120 1.646 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.812 3.428 2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.531 1.901 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.238 3.225 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.479 3.998 1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.818 3.818 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.500 2.888 0.903 1.00 0.00 H new ATOM 789 N SER A 53 -0.706 1.884 -0.837 1.00 0.00 N ATOM 790 CA SER A 53 -1.491 2.673 -1.784 1.00 0.00 C ATOM 791 C SER A 53 -1.775 4.083 -1.274 1.00 0.00 C ATOM 792 O SER A 53 -2.312 4.275 -0.181 1.00 0.00 O ATOM 793 CB SER A 53 -2.803 1.959 -2.089 1.00 0.00 C ATOM 794 OG SER A 53 -2.653 1.068 -3.179 1.00 0.00 O ATOM 0 H SER A 53 -1.117 1.803 0.093 1.00 0.00 H new ATOM 0 HA SER A 53 -0.898 2.771 -2.694 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.136 1.410 -1.208 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.576 2.693 -2.318 1.00 0.00 H new ATOM 0 HG SER A 53 -2.718 0.144 -2.858 1.00 0.00 H new ATOM 800 N ASP A 54 -1.409 5.069 -2.087 1.00 0.00 N ATOM 801 CA ASP A 54 -1.614 6.470 -1.743 1.00 0.00 C ATOM 802 C ASP A 54 -3.031 6.934 -2.076 1.00 0.00 C ATOM 803 O ASP A 54 -3.371 7.131 -3.242 1.00 0.00 O ATOM 804 CB ASP A 54 -0.601 7.343 -2.475 1.00 0.00 C ATOM 805 CG ASP A 54 0.745 7.364 -1.782 1.00 0.00 C ATOM 806 OD1 ASP A 54 1.470 6.351 -1.864 1.00 0.00 O ATOM 807 OD2 ASP A 54 1.072 8.393 -1.155 1.00 0.00 O ATOM 0 H ASP A 54 -0.966 4.921 -2.994 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.473 6.568 -0.667 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.477 6.976 -3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.986 8.360 -2.547 1.00 0.00 H new ATOM 812 N ILE A 55 -3.843 7.127 -1.044 1.00 0.00 N ATOM 813 CA ILE A 55 -5.218 7.585 -1.220 1.00 0.00 C ATOM 814 C ILE A 55 -5.254 9.038 -1.682 1.00 0.00 C ATOM 815 O ILE A 55 -4.811 9.939 -0.968 1.00 0.00 O ATOM 816 CB ILE A 55 -6.026 7.447 0.089 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.468 7.885 -0.100 1.00 0.00 C ATOM 818 CG2 ILE A 55 -5.403 8.258 1.200 1.00 0.00 C ATOM 819 CD1 ILE A 55 -8.433 7.132 0.787 1.00 0.00 C ATOM 0 H ILE A 55 -3.573 6.973 -0.072 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.672 6.954 -1.984 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.010 6.392 0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.548 8.952 0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.752 7.741 -1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.992 8.142 2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.386 7.908 1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.380 9.310 0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.447 7.489 0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.378 6.067 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.171 7.297 1.832 1.00 0.00 H new ATOM 831 N ARG A 56 -5.775 9.259 -2.884 1.00 0.00 N ATOM 832 CA ARG A 56 -5.861 10.605 -3.439 1.00 0.00 C ATOM 833 C ARG A 56 -6.931 10.705 -4.532 1.00 0.00 C ATOM 834 O ARG A 56 -6.646 11.091 -5.666 1.00 0.00 O ATOM 835 CB ARG A 56 -4.501 11.032 -3.990 1.00 0.00 C ATOM 836 CG ARG A 56 -4.128 12.461 -3.636 1.00 0.00 C ATOM 837 CD ARG A 56 -4.895 13.468 -4.480 1.00 0.00 C ATOM 838 NE ARG A 56 -4.096 13.971 -5.596 1.00 0.00 N ATOM 839 CZ ARG A 56 -4.016 13.380 -6.789 1.00 0.00 C ATOM 840 NH1 ARG A 56 -4.737 12.298 -7.060 1.00 0.00 N ATOM 841 NH2 ARG A 56 -3.227 13.890 -7.726 1.00 0.00 N ATOM 0 H ARG A 56 -6.143 8.526 -3.491 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.153 11.278 -2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.734 10.359 -3.607 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.507 10.924 -5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.333 12.640 -2.580 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.057 12.604 -3.782 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.802 13.002 -4.865 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.207 14.303 -3.853 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.565 14.830 -5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.361 11.910 -6.352 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.667 11.855 -7.976 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.684 14.732 -7.533 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.164 13.440 -8.639 1.00 0.00 H new ATOM 855 N MET A 57 -8.167 10.376 -4.167 1.00 0.00 N ATOM 856 CA MET A 57 -9.312 10.441 -5.082 1.00 0.00 C ATOM 857 C MET A 57 -9.043 9.804 -6.455 1.00 0.00 C ATOM 858 O MET A 57 -9.394 10.375 -7.489 1.00 0.00 O ATOM 859 CB MET A 57 -9.761 11.895 -5.253 1.00 0.00 C ATOM 860 CG MET A 57 -8.757 12.774 -5.981 1.00 0.00 C ATOM 861 SD MET A 57 -9.441 14.383 -6.422 1.00 0.00 S ATOM 862 CE MET A 57 -10.249 14.839 -4.889 1.00 0.00 C ATOM 0 H MET A 57 -8.407 10.056 -3.229 1.00 0.00 H new ATOM 0 HA MET A 57 -10.107 9.852 -4.625 1.00 0.00 H new ATOM 0 HB2 MET A 57 -10.704 11.911 -5.799 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.955 12.322 -4.269 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.879 12.916 -5.351 1.00 0.00 H new ATOM 0 HG3 MET A 57 -8.421 12.265 -6.885 1.00 0.00 H new ATOM 0 HE1 MET A 57 -10.439 15.912 -4.883 1.00 0.00 H new ATOM 0 HE2 MET A 57 -11.194 14.303 -4.802 1.00 0.00 H new ATOM 0 HE3 MET A 57 -9.606 14.580 -4.048 1.00 0.00 H new ATOM 872 N PRO A 58 -8.447 8.598 -6.490 1.00 0.00 N ATOM 873 CA PRO A 58 -8.172 7.880 -7.742 1.00 0.00 C ATOM 874 C PRO A 58 -9.459 7.377 -8.407 1.00 0.00 C ATOM 875 O PRO A 58 -9.985 8.016 -9.317 1.00 0.00 O ATOM 876 CB PRO A 58 -7.296 6.706 -7.298 1.00 0.00 C ATOM 877 CG PRO A 58 -7.649 6.490 -5.868 1.00 0.00 C ATOM 878 CD PRO A 58 -8.014 7.837 -5.313 1.00 0.00 C ATOM 0 HA PRO A 58 -7.695 8.517 -8.487 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.496 5.815 -7.894 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.237 6.936 -7.414 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.482 5.793 -5.775 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.810 6.059 -5.322 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.809 7.761 -4.571 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.164 8.310 -4.822 1.00 0.00 H new ATOM 886 N GLY A 59 -9.969 6.232 -7.944 1.00 0.00 N ATOM 887 CA GLY A 59 -11.189 5.676 -8.502 1.00 0.00 C ATOM 888 C GLY A 59 -12.375 5.853 -7.571 1.00 0.00 C ATOM 889 O GLY A 59 -13.524 5.897 -8.011 1.00 0.00 O ATOM 0 H GLY A 59 -9.555 5.682 -7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.403 6.157 -9.456 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.044 4.615 -8.705 1.00 0.00 H new ATOM 893 N MET A 60 -12.086 5.961 -6.278 1.00 0.00 N ATOM 894 CA MET A 60 -13.117 6.146 -5.265 1.00 0.00 C ATOM 895 C MET A 60 -12.500 6.682 -3.982 1.00 0.00 C ATOM 896 O MET A 60 -12.375 5.961 -2.987 1.00 0.00 O ATOM 897 CB MET A 60 -13.859 4.838 -4.976 1.00 0.00 C ATOM 898 CG MET A 60 -15.139 5.035 -4.177 1.00 0.00 C ATOM 899 SD MET A 60 -16.560 4.206 -4.913 1.00 0.00 S ATOM 900 CE MET A 60 -17.241 3.373 -3.479 1.00 0.00 C ATOM 0 H MET A 60 -11.137 5.923 -5.906 1.00 0.00 H new ATOM 0 HA MET A 60 -13.838 6.867 -5.651 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.100 4.349 -5.920 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.197 4.166 -4.429 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.990 4.660 -3.164 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.349 6.101 -4.095 1.00 0.00 H new ATOM 0 HE1 MET A 60 -18.130 2.814 -3.771 1.00 0.00 H new ATOM 0 HE2 MET A 60 -16.499 2.687 -3.070 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.509 4.111 -2.723 1.00 0.00 H new ATOM 910 N ASP A 61 -12.096 7.950 -4.028 1.00 0.00 N ATOM 911 CA ASP A 61 -11.479 8.620 -2.888 1.00 0.00 C ATOM 912 C ASP A 61 -10.087 8.070 -2.590 1.00 0.00 C ATOM 913 O ASP A 61 -9.249 8.768 -2.025 1.00 0.00 O ATOM 914 CB ASP A 61 -12.375 8.489 -1.654 1.00 0.00 C ATOM 915 CG ASP A 61 -12.839 9.836 -1.132 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.911 10.792 -1.935 1.00 0.00 O ATOM 917 OD2 ASP A 61 -13.133 9.936 0.079 1.00 0.00 O ATOM 0 H ASP A 61 -12.187 8.540 -4.855 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.367 9.674 -3.144 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.244 7.879 -1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.832 7.965 -0.868 1.00 0.00 H new ATOM 922 N GLY A 62 -9.848 6.816 -2.975 1.00 0.00 N ATOM 923 CA GLY A 62 -8.561 6.192 -2.741 1.00 0.00 C ATOM 924 C GLY A 62 -8.711 4.782 -2.245 1.00 0.00 C ATOM 925 O GLY A 62 -7.836 3.945 -2.451 1.00 0.00 O ATOM 0 H GLY A 62 -10.529 6.222 -3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.982 6.194 -3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.000 6.777 -2.012 1.00 0.00 H new ATOM 929 N LEU A 63 -9.834 4.514 -1.603 1.00 0.00 N ATOM 930 CA LEU A 63 -10.110 3.192 -1.096 1.00 0.00 C ATOM 931 C LEU A 63 -10.567 2.285 -2.230 1.00 0.00 C ATOM 932 O LEU A 63 -10.604 1.065 -2.090 1.00 0.00 O ATOM 933 CB LEU A 63 -11.163 3.251 0.003 1.00 0.00 C ATOM 934 CG LEU A 63 -10.850 4.213 1.149 1.00 0.00 C ATOM 935 CD1 LEU A 63 -11.314 5.619 0.817 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.502 3.729 2.431 1.00 0.00 C ATOM 0 H LEU A 63 -10.568 5.199 -1.423 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.196 2.781 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.115 3.539 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.293 2.250 0.415 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.770 4.238 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.080 6.285 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.805 5.967 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.391 5.616 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.272 4.422 3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.582 3.678 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.121 2.739 2.682 1.00 0.00 H new ATOM 948 N ALA A 64 -10.909 2.891 -3.368 1.00 0.00 N ATOM 949 CA ALA A 64 -11.348 2.134 -4.532 1.00 0.00 C ATOM 950 C ALA A 64 -10.328 1.063 -4.905 1.00 0.00 C ATOM 951 O ALA A 64 -10.687 -0.080 -5.190 1.00 0.00 O ATOM 952 CB ALA A 64 -11.572 3.077 -5.703 1.00 0.00 C ATOM 0 H ALA A 64 -10.889 3.902 -3.504 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.285 1.635 -4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.900 2.507 -6.572 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.336 3.809 -5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.641 3.593 -5.938 1.00 0.00 H new ATOM 958 N LEU A 65 -9.054 1.440 -4.901 1.00 0.00 N ATOM 959 CA LEU A 65 -7.979 0.515 -5.241 1.00 0.00 C ATOM 960 C LEU A 65 -7.991 -0.701 -4.320 1.00 0.00 C ATOM 961 O LEU A 65 -7.640 -1.806 -4.731 1.00 0.00 O ATOM 962 CB LEU A 65 -6.629 1.222 -5.155 1.00 0.00 C ATOM 963 CG LEU A 65 -6.351 1.903 -3.818 1.00 0.00 C ATOM 964 CD1 LEU A 65 -5.580 0.971 -2.896 1.00 0.00 C ATOM 965 CD2 LEU A 65 -5.596 3.207 -4.034 1.00 0.00 C ATOM 0 H LEU A 65 -8.740 2.382 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.139 0.171 -6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.840 0.495 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.574 1.969 -5.947 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.302 2.138 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.390 1.473 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.165 0.069 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.631 0.703 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.405 3.681 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.648 3.001 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.193 3.875 -4.655 1.00 0.00 H new ATOM 977 N LEU A 66 -8.404 -0.491 -3.079 1.00 0.00 N ATOM 978 CA LEU A 66 -8.465 -1.573 -2.106 1.00 0.00 C ATOM 979 C LEU A 66 -9.461 -2.634 -2.555 1.00 0.00 C ATOM 980 O LEU A 66 -9.180 -3.830 -2.502 1.00 0.00 O ATOM 981 CB LEU A 66 -8.857 -1.032 -0.732 1.00 0.00 C ATOM 982 CG LEU A 66 -7.713 -0.385 0.053 1.00 0.00 C ATOM 983 CD1 LEU A 66 -7.433 1.026 -0.446 1.00 0.00 C ATOM 984 CD2 LEU A 66 -8.035 -0.372 1.537 1.00 0.00 C ATOM 0 H LEU A 66 -8.702 0.417 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.477 -2.028 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.652 -0.298 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.269 -1.849 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.813 -0.980 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.616 1.460 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.156 0.991 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.327 1.638 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.213 0.091 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.949 0.197 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.174 -1.394 1.888 1.00 0.00 H new ATOM 996 N LYS A 67 -10.624 -2.181 -3.009 1.00 0.00 N ATOM 997 CA LYS A 67 -11.667 -3.083 -3.482 1.00 0.00 C ATOM 998 C LYS A 67 -11.137 -3.988 -4.596 1.00 0.00 C ATOM 999 O LYS A 67 -11.388 -5.191 -4.609 1.00 0.00 O ATOM 1000 CB LYS A 67 -12.866 -2.276 -3.985 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.156 -3.075 -4.056 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.372 -2.165 -4.115 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.622 -2.876 -3.623 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.681 -1.916 -3.203 1.00 0.00 N ATOM 0 H LYS A 67 -10.869 -1.192 -3.059 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.983 -3.713 -2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.016 -1.419 -3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.638 -1.883 -4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.139 -3.718 -4.936 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.230 -3.727 -3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.194 -1.277 -3.508 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.524 -1.825 -5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.008 -3.519 -4.414 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.365 -3.522 -2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.516 -2.442 -2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.322 -1.319 -2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.945 -1.316 -4.010 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.407 -3.396 -5.530 1.00 0.00 N ATOM 1019 CA GLN A 68 -9.844 -4.141 -6.648 1.00 0.00 C ATOM 1020 C GLN A 68 -8.783 -5.142 -6.183 1.00 0.00 C ATOM 1021 O GLN A 68 -8.710 -6.260 -6.691 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.238 -3.169 -7.659 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.256 -2.222 -8.275 1.00 0.00 C ATOM 1024 CD GLN A 68 -9.958 -0.755 -8.021 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -8.727 -0.335 -8.292 1.00 0.00 O flip ATOM 1026 NE2 GLN A 68 -10.832 0.000 -7.597 1.00 0.00 N flip ATOM 0 H GLN A 68 -10.190 -2.399 -5.536 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.649 -4.707 -7.117 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.460 -2.584 -7.168 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.755 -3.738 -8.454 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.295 -2.395 -9.351 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.244 -2.457 -7.878 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.766 -0.360 -7.401 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.623 0.986 -7.442 1.00 0.00 H new ATOM 1035 N ILE A 69 -7.960 -4.730 -5.223 1.00 0.00 N ATOM 1036 CA ILE A 69 -6.900 -5.589 -4.701 1.00 0.00 C ATOM 1037 C ILE A 69 -7.462 -6.811 -3.987 1.00 0.00 C ATOM 1038 O ILE A 69 -6.859 -7.884 -4.005 1.00 0.00 O ATOM 1039 CB ILE A 69 -5.982 -4.816 -3.733 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.414 -3.571 -4.417 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -4.856 -5.710 -3.239 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.202 -2.410 -3.471 1.00 0.00 C ATOM 0 H ILE A 69 -8.006 -3.807 -4.791 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.319 -5.923 -5.561 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.574 -4.500 -2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.464 -3.825 -4.887 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.091 -3.262 -5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.218 -5.148 -2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.276 -6.570 -2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.265 -6.054 -4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.798 -1.561 -4.022 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.154 -2.130 -3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.501 -2.702 -2.688 1.00 0.00 H new ATOM 1054 N LYS A 70 -8.614 -6.645 -3.358 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.248 -7.738 -2.637 1.00 0.00 C ATOM 1056 C LYS A 70 -9.907 -8.716 -3.595 1.00 0.00 C ATOM 1057 O LYS A 70 -10.015 -9.909 -3.308 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.267 -7.200 -1.636 1.00 0.00 C ATOM 1059 CG LYS A 70 -11.489 -6.561 -2.270 1.00 0.00 C ATOM 1060 CD LYS A 70 -12.641 -6.464 -1.284 1.00 0.00 C ATOM 1061 CE LYS A 70 -13.986 -6.619 -1.976 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.074 -6.933 -1.010 1.00 0.00 N ATOM 0 H LYS A 70 -9.129 -5.765 -3.332 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.473 -8.274 -2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.592 -8.017 -0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.778 -6.465 -0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.234 -5.565 -2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.798 -7.146 -3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.533 -7.235 -0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.603 -5.502 -0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.228 -5.700 -2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.922 -7.412 -2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.971 -7.048 -1.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.848 -7.815 -0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.164 -6.156 -0.324 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.336 -8.205 -4.736 1.00 0.00 N ATOM 1077 CA GLN A 71 -10.975 -9.033 -5.744 1.00 0.00 C ATOM 1078 C GLN A 71 -9.989 -10.048 -6.298 1.00 0.00 C ATOM 1079 O GLN A 71 -10.310 -11.225 -6.461 1.00 0.00 O ATOM 1080 CB GLN A 71 -11.534 -8.164 -6.871 1.00 0.00 C ATOM 1081 CG GLN A 71 -13.051 -8.096 -6.889 1.00 0.00 C ATOM 1082 CD GLN A 71 -13.566 -6.730 -7.293 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -14.385 -6.607 -8.204 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -13.085 -5.693 -6.617 1.00 0.00 N ATOM 0 H GLN A 71 -10.253 -7.220 -4.988 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.801 -9.570 -5.278 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.134 -7.155 -6.773 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.184 -8.554 -7.827 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.437 -8.845 -7.580 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.434 -8.347 -5.900 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.407 -5.842 -5.869 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.393 -4.748 -6.846 1.00 0.00 H new ATOM 1093 N ARG A 72 -8.785 -9.579 -6.573 1.00 0.00 N ATOM 1094 CA ARG A 72 -7.731 -10.434 -7.103 1.00 0.00 C ATOM 1095 C ARG A 72 -6.956 -11.102 -5.970 1.00 0.00 C ATOM 1096 O ARG A 72 -6.335 -12.147 -6.159 1.00 0.00 O ATOM 1097 CB ARG A 72 -6.779 -9.624 -7.986 1.00 0.00 C ATOM 1098 CG ARG A 72 -7.445 -9.055 -9.229 1.00 0.00 C ATOM 1099 CD ARG A 72 -6.420 -8.640 -10.273 1.00 0.00 C ATOM 1100 NE ARG A 72 -7.025 -7.881 -11.369 1.00 0.00 N ATOM 1101 CZ ARG A 72 -7.415 -8.416 -12.528 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -7.263 -9.715 -12.760 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -7.960 -7.646 -13.459 1.00 0.00 N ATOM 0 H ARG A 72 -8.509 -8.606 -6.438 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.196 -11.211 -7.709 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.360 -8.806 -7.400 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.946 -10.259 -8.288 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.118 -9.799 -9.655 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.054 -8.194 -8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.645 -8.037 -9.800 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.932 -9.528 -10.674 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.157 -6.878 -11.238 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.845 -10.315 -12.049 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.565 -10.113 -13.649 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.080 -6.648 -13.289 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.259 -8.052 -14.346 1.00 0.00 H new ATOM 1117 N HIS A 73 -7.002 -10.488 -4.795 1.00 0.00 N ATOM 1118 CA HIS A 73 -6.309 -11.015 -3.628 1.00 0.00 C ATOM 1119 C HIS A 73 -7.123 -10.786 -2.361 1.00 0.00 C ATOM 1120 O HIS A 73 -7.013 -9.737 -1.726 1.00 0.00 O ATOM 1121 CB HIS A 73 -4.950 -10.348 -3.490 1.00 0.00 C ATOM 1122 CG HIS A 73 -4.083 -10.529 -4.682 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -3.258 -11.617 -4.855 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -3.940 -9.764 -5.784 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -2.645 -11.518 -6.018 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -3.042 -10.404 -6.608 1.00 0.00 N ATOM 0 H HIS A 73 -7.514 -9.622 -4.625 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.178 -12.088 -3.765 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.093 -9.282 -3.312 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.442 -10.753 -2.615 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -3.140 -12.380 -4.188 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.437 -8.826 -5.982 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -1.938 -12.228 -6.421 1.00 0.00 H new ATOM 1135 N PRO A 74 -7.953 -11.765 -1.971 1.00 0.00 N ATOM 1136 CA PRO A 74 -8.788 -11.663 -0.769 1.00 0.00 C ATOM 1137 C PRO A 74 -7.973 -11.593 0.525 1.00 0.00 C ATOM 1138 O PRO A 74 -8.544 -11.628 1.614 1.00 0.00 O ATOM 1139 CB PRO A 74 -9.627 -12.949 -0.795 1.00 0.00 C ATOM 1140 CG PRO A 74 -9.506 -13.472 -2.186 1.00 0.00 C ATOM 1141 CD PRO A 74 -8.149 -13.047 -2.663 1.00 0.00 C ATOM 0 HA PRO A 74 -9.379 -10.747 -0.779 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.258 -13.674 -0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.667 -12.745 -0.541 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.606 -14.557 -2.206 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.290 -13.068 -2.826 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.380 -13.773 -2.397 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.118 -12.932 -3.746 1.00 0.00 H new ATOM 1149 N MET A 75 -6.643 -11.505 0.408 1.00 0.00 N ATOM 1150 CA MET A 75 -5.773 -11.440 1.581 1.00 0.00 C ATOM 1151 C MET A 75 -4.578 -10.513 1.355 1.00 0.00 C ATOM 1152 O MET A 75 -3.615 -10.542 2.121 1.00 0.00 O ATOM 1153 CB MET A 75 -5.268 -12.836 1.946 1.00 0.00 C ATOM 1154 CG MET A 75 -6.381 -13.833 2.228 1.00 0.00 C ATOM 1155 SD MET A 75 -6.265 -15.315 1.206 1.00 0.00 S ATOM 1156 CE MET A 75 -7.950 -15.913 1.282 1.00 0.00 C ATOM 0 H MET A 75 -6.150 -11.477 -0.485 1.00 0.00 H new ATOM 0 HA MET A 75 -6.368 -11.035 2.400 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.651 -13.214 1.131 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.626 -12.763 2.824 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.349 -14.119 3.279 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.345 -13.353 2.057 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.951 -16.961 1.583 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.512 -15.326 2.009 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.415 -15.817 0.301 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.632 -9.697 0.304 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.534 -8.785 0.003 1.00 0.00 C ATOM 1168 C LEU A 76 -3.516 -7.588 0.944 1.00 0.00 C ATOM 1169 O LEU A 76 -4.412 -6.745 0.908 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.619 -8.281 -1.433 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.289 -7.912 -2.089 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -1.868 -6.528 -1.645 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -1.213 -8.934 -1.760 1.00 0.00 C ATOM 0 H LEU A 76 -5.416 -9.649 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.614 -9.353 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.101 -9.048 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.267 -7.405 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.422 -7.913 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.919 -6.268 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.629 -5.805 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.752 -6.513 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.278 -8.645 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.069 -8.976 -0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.520 -9.915 -2.123 1.00 0.00 H new ATOM 1185 N PRO A 77 -2.485 -7.494 1.791 1.00 0.00 N ATOM 1186 CA PRO A 77 -2.341 -6.386 2.736 1.00 0.00 C ATOM 1187 C PRO A 77 -2.071 -5.050 2.034 1.00 0.00 C ATOM 1188 O PRO A 77 -1.046 -4.887 1.374 1.00 0.00 O ATOM 1189 CB PRO A 77 -1.138 -6.804 3.584 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.369 -7.756 2.743 1.00 0.00 C ATOM 1191 CD PRO A 77 -1.375 -8.461 1.889 1.00 0.00 C ATOM 0 HA PRO A 77 -3.250 -6.219 3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.530 -5.941 3.855 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.458 -7.273 4.514 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.363 -7.231 2.130 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.182 -8.464 3.361 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.968 -8.705 0.908 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.699 -9.398 2.341 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.998 -4.097 2.180 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.850 -2.779 1.552 1.00 0.00 C ATOM 1201 C VAL A 78 -2.711 -1.669 2.593 1.00 0.00 C ATOM 1202 O VAL A 78 -3.447 -1.633 3.585 1.00 0.00 O ATOM 1203 CB VAL A 78 -4.050 -2.434 0.649 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.699 -1.286 -0.285 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.506 -3.653 -0.140 1.00 0.00 C ATOM 0 H VAL A 78 -3.853 -4.212 2.724 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.943 -2.839 0.950 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.877 -2.119 1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.557 -1.055 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.433 -0.407 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.854 -1.572 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.354 -3.383 -0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.688 -4.008 -0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.803 -4.443 0.550 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.780 -0.748 2.352 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.568 0.370 3.261 1.00 0.00 C ATOM 1217 C ILE A 79 -2.017 1.677 2.629 1.00 0.00 C ATOM 1218 O ILE A 79 -1.466 2.119 1.622 1.00 0.00 O ATOM 1219 CB ILE A 79 -0.097 0.520 3.690 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.517 -0.837 4.020 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.001 1.449 4.892 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.916 -1.005 3.477 1.00 0.00 C ATOM 0 H ILE A 79 -1.165 -0.756 1.539 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.166 0.149 4.145 1.00 0.00 H new ATOM 0 HB ILE A 79 0.461 0.951 2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.536 -0.966 5.102 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.119 -1.624 3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.045 1.550 5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.398 2.429 4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.574 1.034 5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.295 -1.991 3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.899 -0.907 2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.565 -0.239 3.901 1.00 0.00 H new ATOM 1234 N ILE A 80 -3.018 2.288 3.233 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.554 3.548 2.749 1.00 0.00 C ATOM 1236 C ILE A 80 -2.976 4.713 3.547 1.00 0.00 C ATOM 1237 O ILE A 80 -2.884 4.648 4.773 1.00 0.00 O ATOM 1238 CB ILE A 80 -5.090 3.569 2.828 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.666 2.252 2.294 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.636 4.747 2.037 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -5.491 1.078 3.231 1.00 0.00 C ATOM 0 H ILE A 80 -3.481 1.929 4.068 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.265 3.652 1.703 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.389 3.680 3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.729 2.388 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.189 2.018 1.342 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.724 4.754 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.243 5.676 2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.332 4.657 0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.925 0.185 2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.429 0.913 3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.993 1.288 4.175 1.00 0.00 H new ATOM 1253 N MET A 81 -2.552 5.758 2.846 1.00 0.00 N ATOM 1254 CA MET A 81 -1.942 6.914 3.499 1.00 0.00 C ATOM 1255 C MET A 81 -2.960 7.789 4.242 1.00 0.00 C ATOM 1256 O MET A 81 -2.595 8.495 5.182 1.00 0.00 O ATOM 1257 CB MET A 81 -1.162 7.754 2.480 1.00 0.00 C ATOM 1258 CG MET A 81 -2.008 8.288 1.340 1.00 0.00 C ATOM 1259 SD MET A 81 -1.983 10.088 1.220 1.00 0.00 S ATOM 1260 CE MET A 81 -1.216 10.307 -0.384 1.00 0.00 C ATOM 0 H MET A 81 -2.618 5.831 1.831 1.00 0.00 H new ATOM 0 HA MET A 81 -1.256 6.522 4.250 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.697 8.593 2.997 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.356 7.148 2.067 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.652 7.863 0.402 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.037 7.953 1.472 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.471 11.291 -0.778 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.134 10.226 -0.284 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.576 9.538 -1.067 1.00 0.00 H new ATOM 1270 N THR A 82 -4.228 7.752 3.831 1.00 0.00 N ATOM 1271 CA THR A 82 -5.259 8.566 4.488 1.00 0.00 C ATOM 1272 C THR A 82 -6.627 7.883 4.486 1.00 0.00 C ATOM 1273 O THR A 82 -6.896 7.002 3.674 1.00 0.00 O ATOM 1274 CB THR A 82 -5.369 9.937 3.811 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.084 10.450 3.508 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.086 10.975 4.650 1.00 0.00 C ATOM 0 H THR A 82 -4.566 7.178 3.059 1.00 0.00 H new ATOM 0 HA THR A 82 -4.951 8.690 5.526 1.00 0.00 H new ATOM 0 HB THR A 82 -5.953 9.760 2.908 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.767 10.061 2.666 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.125 11.919 4.106 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.100 10.635 4.861 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.549 11.119 5.588 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.494 8.314 5.398 1.00 0.00 N ATOM 1285 CA ALA A 83 -8.841 7.765 5.497 1.00 0.00 C ATOM 1286 C ALA A 83 -9.858 8.877 5.733 1.00 0.00 C ATOM 1287 O ALA A 83 -10.445 8.984 6.810 1.00 0.00 O ATOM 1288 CB ALA A 83 -8.916 6.725 6.606 1.00 0.00 C ATOM 0 H ALA A 83 -7.286 9.043 6.080 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.082 7.276 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.929 6.327 6.664 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.220 5.914 6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.653 7.188 7.557 1.00 0.00 H new ATOM 1294 N HIS A 84 -10.051 9.711 4.717 1.00 0.00 N ATOM 1295 CA HIS A 84 -10.988 10.827 4.803 1.00 0.00 C ATOM 1296 C HIS A 84 -12.438 10.326 4.877 1.00 0.00 C ATOM 1297 O HIS A 84 -12.713 9.325 5.537 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.778 11.781 3.618 1.00 0.00 C ATOM 1299 CG HIS A 84 -10.603 11.092 2.300 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -10.015 11.700 1.210 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -10.934 9.841 1.896 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -9.992 10.856 0.197 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -10.542 9.723 0.586 1.00 0.00 N ATOM 0 H HIS A 84 -9.570 9.635 3.821 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.794 11.379 5.723 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.632 12.455 3.553 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.900 12.397 3.813 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -9.654 12.654 1.191 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.416 9.080 2.493 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.591 11.059 -0.785 1.00 0.00 H new ATOM 1312 N SER A 85 -13.365 11.024 4.219 1.00 0.00 N ATOM 1313 CA SER A 85 -14.771 10.634 4.245 1.00 0.00 C ATOM 1314 C SER A 85 -15.057 9.502 3.263 1.00 0.00 C ATOM 1315 O SER A 85 -15.581 9.728 2.172 1.00 0.00 O ATOM 1316 CB SER A 85 -15.659 11.839 3.934 1.00 0.00 C ATOM 1317 OG SER A 85 -15.012 12.738 3.051 1.00 0.00 O ATOM 0 H SER A 85 -13.167 11.857 3.665 1.00 0.00 H new ATOM 0 HA SER A 85 -14.997 10.271 5.247 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.595 11.499 3.490 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.914 12.355 4.860 1.00 0.00 H new ATOM 0 HG SER A 85 -15.603 13.498 2.868 1.00 0.00 H new ATOM 1323 N ASP A 86 -14.717 8.284 3.668 1.00 0.00 N ATOM 1324 CA ASP A 86 -14.940 7.103 2.838 1.00 0.00 C ATOM 1325 C ASP A 86 -14.446 5.840 3.542 1.00 0.00 C ATOM 1326 O ASP A 86 -14.048 4.875 2.895 1.00 0.00 O ATOM 1327 CB ASP A 86 -14.237 7.264 1.487 1.00 0.00 C ATOM 1328 CG ASP A 86 -15.029 6.661 0.343 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -16.254 6.896 0.280 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -14.424 5.955 -0.491 1.00 0.00 O ATOM 0 H ASP A 86 -14.284 8.087 4.570 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.012 7.003 2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.072 8.324 1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.256 6.792 1.533 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.478 5.854 4.875 1.00 0.00 N ATOM 1336 CA LEU A 87 -14.035 4.715 5.676 1.00 0.00 C ATOM 1337 C LEU A 87 -14.750 3.426 5.268 1.00 0.00 C ATOM 1338 O LEU A 87 -14.266 2.329 5.539 1.00 0.00 O ATOM 1339 CB LEU A 87 -14.268 4.990 7.166 1.00 0.00 C ATOM 1340 CG LEU A 87 -13.007 5.002 8.037 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.334 3.635 8.033 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -12.042 6.081 7.560 1.00 0.00 C ATOM 0 H LEU A 87 -14.808 6.647 5.424 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.969 4.581 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.768 5.953 7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.951 4.235 7.555 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.299 5.230 9.062 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.441 3.667 8.658 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.025 2.888 8.425 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.054 3.370 7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.152 6.077 8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.757 5.884 6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.526 7.056 7.623 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.907 3.564 4.629 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.697 2.410 4.205 1.00 0.00 C ATOM 1356 C ASP A 88 -15.835 1.368 3.502 1.00 0.00 C ATOM 1357 O ASP A 88 -15.818 0.200 3.890 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.823 2.855 3.270 1.00 0.00 C ATOM 1359 CG ASP A 88 -18.844 3.732 3.970 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -19.404 3.287 4.994 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -19.081 4.860 3.493 1.00 0.00 O ATOM 0 H ASP A 88 -16.321 4.466 4.392 1.00 0.00 H new ATOM 0 HA ASP A 88 -17.121 1.956 5.101 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.398 3.399 2.427 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -18.322 1.976 2.862 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.118 1.792 2.472 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.258 0.887 1.728 1.00 0.00 C ATOM 1368 C ALA A 89 -13.058 0.457 2.564 1.00 0.00 C ATOM 1369 O ALA A 89 -12.458 -0.589 2.312 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.808 1.537 0.433 1.00 0.00 C ATOM 0 H ALA A 89 -15.115 2.754 2.134 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.831 -0.008 1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.164 0.849 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.680 1.780 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.256 2.450 0.657 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.717 1.256 3.572 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.596 0.933 4.447 1.00 0.00 C ATOM 1378 C ALA A 90 -11.980 -0.182 5.409 1.00 0.00 C ATOM 1379 O ALA A 90 -11.198 -1.101 5.653 1.00 0.00 O ATOM 1380 CB ALA A 90 -11.127 2.158 5.227 1.00 0.00 C ATOM 0 H ALA A 90 -13.198 2.126 3.801 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.771 0.596 3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.291 1.882 5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.809 2.933 4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.946 2.535 5.840 1.00 0.00 H new ATOM 1386 N VAL A 91 -13.194 -0.101 5.952 1.00 0.00 N ATOM 1387 CA VAL A 91 -13.665 -1.113 6.883 1.00 0.00 C ATOM 1388 C VAL A 91 -13.748 -2.476 6.212 1.00 0.00 C ATOM 1389 O VAL A 91 -13.181 -3.452 6.700 1.00 0.00 O ATOM 1390 CB VAL A 91 -15.033 -0.767 7.500 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -15.358 -1.745 8.618 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -15.042 0.664 8.023 1.00 0.00 C ATOM 0 H VAL A 91 -13.860 0.648 5.763 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.932 -1.143 7.689 1.00 0.00 H new ATOM 0 HB VAL A 91 -15.796 -0.848 6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -16.327 -1.495 9.050 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -15.390 -2.758 8.217 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -14.590 -1.684 9.389 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -16.018 0.888 8.455 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.273 0.777 8.787 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.842 1.353 7.202 1.00 0.00 H new ATOM 1402 N SER A 92 -14.439 -2.539 5.080 1.00 0.00 N ATOM 1403 CA SER A 92 -14.568 -3.790 4.342 1.00 0.00 C ATOM 1404 C SER A 92 -13.186 -4.327 3.989 1.00 0.00 C ATOM 1405 O SER A 92 -12.954 -5.539 3.946 1.00 0.00 O ATOM 1406 CB SER A 92 -15.391 -3.575 3.069 1.00 0.00 C ATOM 1407 OG SER A 92 -15.119 -2.308 2.491 1.00 0.00 O ATOM 0 H SER A 92 -14.916 -1.744 4.655 1.00 0.00 H new ATOM 0 HA SER A 92 -15.083 -4.517 4.969 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.165 -4.362 2.349 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.453 -3.651 3.302 1.00 0.00 H new ATOM 0 HG SER A 92 -14.168 -2.097 2.598 1.00 0.00 H new ATOM 1413 N ALA A 93 -12.266 -3.404 3.742 1.00 0.00 N ATOM 1414 CA ALA A 93 -10.904 -3.760 3.397 1.00 0.00 C ATOM 1415 C ALA A 93 -10.263 -4.618 4.475 1.00 0.00 C ATOM 1416 O ALA A 93 -9.545 -5.572 4.179 1.00 0.00 O ATOM 1417 CB ALA A 93 -10.089 -2.505 3.144 1.00 0.00 C ATOM 0 H ALA A 93 -12.443 -2.400 3.775 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.926 -4.354 2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.067 -2.781 2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.532 -1.943 2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.082 -1.888 4.043 1.00 0.00 H new ATOM 1423 N TYR A 94 -10.532 -4.281 5.724 1.00 0.00 N ATOM 1424 CA TYR A 94 -9.983 -5.034 6.844 1.00 0.00 C ATOM 1425 C TYR A 94 -10.456 -6.483 6.788 1.00 0.00 C ATOM 1426 O TYR A 94 -9.838 -7.375 7.368 1.00 0.00 O ATOM 1427 CB TYR A 94 -10.394 -4.399 8.174 1.00 0.00 C ATOM 1428 CG TYR A 94 -10.113 -2.915 8.249 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -8.854 -2.411 7.947 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -11.107 -2.016 8.618 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -8.590 -1.056 8.012 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -10.851 -0.658 8.684 1.00 0.00 C ATOM 1433 CZ TYR A 94 -9.592 -0.183 8.379 1.00 0.00 C ATOM 1434 OH TYR A 94 -9.335 1.167 8.444 1.00 0.00 O ATOM 0 H TYR A 94 -11.124 -3.495 5.990 1.00 0.00 H new ATOM 0 HA TYR A 94 -8.896 -5.013 6.771 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -11.459 -4.567 8.333 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.867 -4.902 8.985 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.067 -3.091 7.656 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -12.094 -2.383 8.857 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.604 -0.683 7.777 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -11.634 0.028 8.973 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.879 1.453 7.625 1.00 0.00 H new ATOM 1444 N GLN A 95 -11.556 -6.705 6.075 1.00 0.00 N ATOM 1445 CA GLN A 95 -12.117 -8.040 5.930 1.00 0.00 C ATOM 1446 C GLN A 95 -11.262 -8.874 4.977 1.00 0.00 C ATOM 1447 O GLN A 95 -10.977 -10.042 5.243 1.00 0.00 O ATOM 1448 CB GLN A 95 -13.578 -7.952 5.455 1.00 0.00 C ATOM 1449 CG GLN A 95 -13.804 -8.257 3.977 1.00 0.00 C ATOM 1450 CD GLN A 95 -14.859 -7.370 3.354 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -15.907 -7.115 3.950 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -14.583 -6.892 2.148 1.00 0.00 N ATOM 0 H GLN A 95 -12.076 -5.975 5.589 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.112 -8.539 6.899 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.177 -8.643 6.047 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.950 -6.949 5.663 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.865 -8.133 3.437 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.100 -9.300 3.866 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.701 -7.131 1.694 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -15.252 -6.285 1.674 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.857 -8.264 3.864 1.00 0.00 N ATOM 1462 CA GLN A 96 -10.039 -8.953 2.878 1.00 0.00 C ATOM 1463 C GLN A 96 -8.571 -8.982 3.292 1.00 0.00 C ATOM 1464 O GLN A 96 -7.780 -9.718 2.716 1.00 0.00 O ATOM 1465 CB GLN A 96 -10.187 -8.316 1.495 1.00 0.00 C ATOM 1466 CG GLN A 96 -9.596 -6.921 1.393 1.00 0.00 C ATOM 1467 CD GLN A 96 -10.637 -5.880 1.031 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -11.824 -6.055 1.303 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -10.197 -4.787 0.415 1.00 0.00 N ATOM 0 H GLN A 96 -11.083 -7.298 3.627 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.397 -9.981 2.825 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.707 -8.958 0.757 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.245 -8.271 1.238 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.134 -6.654 2.343 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.806 -6.918 0.642 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.204 -4.683 0.209 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -10.853 -4.053 0.149 1.00 0.00 H new ATOM 1478 N GLY A 97 -8.207 -8.195 4.300 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.828 -8.194 4.759 1.00 0.00 C ATOM 1480 C GLY A 97 -6.123 -6.862 4.594 1.00 0.00 C ATOM 1481 O GLY A 97 -4.939 -6.828 4.270 1.00 0.00 O ATOM 0 H GLY A 97 -8.833 -7.565 4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.806 -8.477 5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.274 -8.957 4.212 1.00 0.00 H new ATOM 1485 N ALA A 98 -6.830 -5.766 4.831 1.00 0.00 N ATOM 1486 CA ALA A 98 -6.226 -4.444 4.714 1.00 0.00 C ATOM 1487 C ALA A 98 -5.103 -4.272 5.727 1.00 0.00 C ATOM 1488 O ALA A 98 -5.173 -4.798 6.837 1.00 0.00 O ATOM 1489 CB ALA A 98 -7.269 -3.363 4.922 1.00 0.00 C ATOM 0 H ALA A 98 -7.813 -5.764 5.103 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.812 -4.352 3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.800 -2.383 4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.051 -3.462 4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.706 -3.465 5.915 1.00 0.00 H new ATOM 1495 N PHE A 99 -4.074 -3.524 5.348 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.953 -3.283 6.241 1.00 0.00 C ATOM 1497 C PHE A 99 -3.368 -2.344 7.361 1.00 0.00 C ATOM 1498 O PHE A 99 -3.217 -2.665 8.539 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.788 -2.671 5.467 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.444 -3.185 5.876 1.00 0.00 C ATOM 1501 CD1 PHE A 99 0.045 -4.330 5.301 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.330 -2.525 6.815 1.00 0.00 C ATOM 1503 CE1 PHE A 99 1.283 -4.827 5.638 1.00 0.00 C ATOM 1504 CE2 PHE A 99 1.574 -3.013 7.164 1.00 0.00 C ATOM 1505 CZ PHE A 99 2.052 -4.170 6.571 1.00 0.00 C ATOM 0 H PHE A 99 -3.994 -3.078 4.434 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.639 -4.235 6.670 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.931 -2.865 4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.807 -1.589 5.599 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.554 -4.852 4.569 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.041 -1.623 7.278 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.650 -5.730 5.172 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.173 -2.494 7.898 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.025 -4.555 6.840 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.903 -1.187 6.975 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.362 -0.181 7.935 1.00 0.00 C ATOM 1517 C ASP A 100 -4.620 1.150 7.239 1.00 0.00 C ATOM 1518 O ASP A 100 -4.670 1.218 6.015 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.333 0.017 9.059 1.00 0.00 C ATOM 1520 CG ASP A 100 -2.008 0.540 8.544 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -1.965 1.702 8.086 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -1.012 -0.210 8.599 1.00 0.00 O ATOM 0 H ASP A 100 -4.030 -0.921 5.999 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.294 -0.542 8.371 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -3.734 0.713 9.796 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.172 -0.931 9.571 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.777 2.203 8.030 1.00 0.00 N ATOM 1528 CA TYR A 101 -5.027 3.533 7.495 1.00 0.00 C ATOM 1529 C TYR A 101 -4.313 4.586 8.335 1.00 0.00 C ATOM 1530 O TYR A 101 -4.187 4.440 9.548 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.530 3.813 7.472 1.00 0.00 C ATOM 1532 CG TYR A 101 -7.172 3.535 6.136 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.584 2.253 5.791 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.365 4.556 5.215 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -8.173 2.002 4.568 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.952 4.310 3.992 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.355 3.032 3.675 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.942 2.781 2.460 1.00 0.00 O ATOM 0 H TYR A 101 -4.735 2.160 9.048 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.641 3.578 6.477 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.017 3.204 8.234 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.702 4.856 7.739 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.441 1.442 6.490 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -7.050 5.559 5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.489 1.001 4.314 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.095 5.115 3.287 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.444 1.941 2.507 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.848 5.650 7.687 1.00 0.00 N ATOM 1549 CA LEU A 102 -3.152 6.715 8.392 1.00 0.00 C ATOM 1550 C LEU A 102 -4.073 7.915 8.598 1.00 0.00 C ATOM 1551 O LEU A 102 -4.570 8.496 7.635 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.905 7.134 7.613 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.602 6.512 8.110 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.657 4.999 7.997 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.577 7.061 7.330 1.00 0.00 C ATOM 0 H LEU A 102 -3.941 5.795 6.682 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.849 6.342 9.370 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.042 6.868 6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.813 8.219 7.657 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.473 6.773 9.160 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.280 4.573 8.356 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.482 4.619 8.599 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.808 4.717 6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.498 6.608 7.696 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.454 6.828 6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.628 8.142 7.460 1.00 0.00 H new ATOM 1567 N PRO A 103 -4.324 8.298 9.863 1.00 0.00 N ATOM 1568 CA PRO A 103 -5.204 9.428 10.181 1.00 0.00 C ATOM 1569 C PRO A 103 -4.731 10.733 9.553 1.00 0.00 C ATOM 1570 O PRO A 103 -5.394 11.290 8.678 1.00 0.00 O ATOM 1571 CB PRO A 103 -5.150 9.517 11.712 1.00 0.00 C ATOM 1572 CG PRO A 103 -4.678 8.178 12.165 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.785 7.660 11.077 1.00 0.00 C ATOM 0 HA PRO A 103 -6.209 9.275 9.789 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.470 10.305 12.037 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.130 9.750 12.128 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.138 8.254 13.109 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.519 7.505 12.332 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.744 7.934 11.247 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.822 6.573 11.010 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.582 11.219 10.005 1.00 0.00 N ATOM 1582 CA LYS A 104 -3.021 12.463 9.490 1.00 0.00 C ATOM 1583 C LYS A 104 -1.598 12.261 8.967 1.00 0.00 C ATOM 1584 O LYS A 104 -1.335 12.488 7.786 1.00 0.00 O ATOM 1585 CB LYS A 104 -3.054 13.550 10.568 1.00 0.00 C ATOM 1586 CG LYS A 104 -4.464 13.951 10.969 1.00 0.00 C ATOM 1587 CD LYS A 104 -4.576 15.445 11.229 1.00 0.00 C ATOM 1588 CE LYS A 104 -4.965 16.202 9.970 1.00 0.00 C ATOM 1589 NZ LYS A 104 -6.377 15.943 9.579 1.00 0.00 N ATOM 0 H LYS A 104 -3.019 10.771 10.728 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.636 12.786 8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.519 13.195 11.449 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.522 14.429 10.205 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -5.161 13.666 10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.756 13.404 11.865 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.318 15.625 12.007 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.624 15.823 11.602 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.823 17.271 10.131 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.304 15.912 9.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.708 16.702 8.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.438 15.031 9.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.973 15.915 10.430 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.652 11.833 9.826 1.00 0.00 N ATOM 1604 CA PRO A 105 0.735 11.612 9.409 1.00 0.00 C ATOM 1605 C PRO A 105 0.845 10.617 8.260 1.00 0.00 C ATOM 1606 O PRO A 105 -0.057 9.813 8.027 1.00 0.00 O ATOM 1607 CB PRO A 105 1.417 11.053 10.666 1.00 0.00 C ATOM 1608 CG PRO A 105 0.304 10.612 11.552 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.842 11.532 11.255 1.00 0.00 C ATOM 0 HA PRO A 105 1.191 12.530 9.039 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.077 10.221 10.419 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.030 11.812 11.152 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.034 9.575 11.354 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.592 10.672 12.602 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.804 11.055 11.444 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.807 12.433 11.867 1.00 0.00 H new ATOM 1617 N PHE A 106 1.966 10.678 7.551 1.00 0.00 N ATOM 1618 CA PHE A 106 2.218 9.788 6.427 1.00 0.00 C ATOM 1619 C PHE A 106 3.667 9.926 5.952 1.00 0.00 C ATOM 1620 O PHE A 106 4.577 9.415 6.601 1.00 0.00 O ATOM 1621 CB PHE A 106 1.233 10.059 5.282 1.00 0.00 C ATOM 1622 CG PHE A 106 1.480 9.209 4.066 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.581 7.830 4.178 1.00 0.00 C ATOM 1624 CD2 PHE A 106 1.616 9.785 2.813 1.00 0.00 C ATOM 1625 CE1 PHE A 106 1.813 7.044 3.066 1.00 0.00 C ATOM 1626 CE2 PHE A 106 1.850 9.004 1.696 1.00 0.00 C ATOM 1627 CZ PHE A 106 1.949 7.631 1.823 1.00 0.00 C ATOM 0 H PHE A 106 2.719 11.340 7.738 1.00 0.00 H new ATOM 0 HA PHE A 106 2.064 8.761 6.759 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.218 9.885 5.638 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.296 11.110 5.000 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.477 7.365 5.147 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.538 10.857 2.708 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.888 5.971 3.168 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.955 9.466 0.726 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.132 7.019 0.952 1.00 0.00 H new ATOM 1637 N ASP A 107 3.886 10.610 4.824 1.00 0.00 N ATOM 1638 CA ASP A 107 5.235 10.788 4.281 1.00 0.00 C ATOM 1639 C ASP A 107 6.031 9.484 4.363 1.00 0.00 C ATOM 1640 O ASP A 107 5.506 8.458 4.787 1.00 0.00 O ATOM 1641 CB ASP A 107 5.969 11.912 5.018 1.00 0.00 C ATOM 1642 CG ASP A 107 6.196 11.597 6.482 1.00 0.00 C ATOM 1643 OD1 ASP A 107 6.781 10.534 6.774 1.00 0.00 O ATOM 1644 OD2 ASP A 107 5.794 12.415 7.336 1.00 0.00 O ATOM 0 H ASP A 107 3.149 11.048 4.272 1.00 0.00 H new ATOM 0 HA ASP A 107 5.144 11.066 3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.930 12.091 4.535 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.393 12.834 4.933 1.00 0.00 H new ATOM 1649 N ILE A 108 7.290 9.514 3.950 1.00 0.00 N ATOM 1650 CA ILE A 108 8.118 8.314 3.988 1.00 0.00 C ATOM 1651 C ILE A 108 8.420 7.884 5.417 1.00 0.00 C ATOM 1652 O ILE A 108 8.374 6.700 5.745 1.00 0.00 O ATOM 1653 CB ILE A 108 9.419 8.490 3.168 1.00 0.00 C ATOM 1654 CG1 ILE A 108 9.362 7.595 1.939 1.00 0.00 C ATOM 1655 CG2 ILE A 108 10.664 8.175 3.984 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.209 7.919 1.018 1.00 0.00 C ATOM 0 H ILE A 108 7.758 10.345 3.588 1.00 0.00 H new ATOM 0 HA ILE A 108 7.543 7.515 3.520 1.00 0.00 H new ATOM 0 HB ILE A 108 9.488 9.536 2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.297 7.688 1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.282 6.556 2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.550 8.313 3.364 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.714 8.843 4.844 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.621 7.142 4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.226 7.244 0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.269 7.798 1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.299 8.948 0.671 1.00 0.00 H new ATOM 1668 N ASP A 109 8.732 8.850 6.257 1.00 0.00 N ATOM 1669 CA ASP A 109 9.054 8.573 7.651 1.00 0.00 C ATOM 1670 C ASP A 109 8.010 7.664 8.298 1.00 0.00 C ATOM 1671 O ASP A 109 8.345 6.599 8.806 1.00 0.00 O ATOM 1672 CB ASP A 109 9.167 9.877 8.438 1.00 0.00 C ATOM 1673 CG ASP A 109 10.293 10.758 7.933 1.00 0.00 C ATOM 1674 OD1 ASP A 109 10.554 10.742 6.712 1.00 0.00 O ATOM 1675 OD2 ASP A 109 10.911 11.463 8.757 1.00 0.00 O ATOM 0 H ASP A 109 8.771 9.837 6.003 1.00 0.00 H new ATOM 0 HA ASP A 109 10.013 8.055 7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 109 8.225 10.421 8.372 1.00 0.00 H new ATOM 0 HB3 ASP A 109 9.331 9.650 9.491 1.00 0.00 H new ATOM 1680 N GLU A 110 6.748 8.087 8.286 1.00 0.00 N ATOM 1681 CA GLU A 110 5.684 7.295 8.890 1.00 0.00 C ATOM 1682 C GLU A 110 5.281 6.123 8.003 1.00 0.00 C ATOM 1683 O GLU A 110 4.906 5.061 8.500 1.00 0.00 O ATOM 1684 CB GLU A 110 4.471 8.170 9.218 1.00 0.00 C ATOM 1685 CG GLU A 110 4.791 9.294 10.188 1.00 0.00 C ATOM 1686 CD GLU A 110 5.085 8.786 11.587 1.00 0.00 C ATOM 1687 OE1 GLU A 110 6.055 8.018 11.748 1.00 0.00 O ATOM 1688 OE2 GLU A 110 4.341 9.156 12.521 1.00 0.00 O ATOM 0 H GLU A 110 6.441 8.965 7.868 1.00 0.00 H new ATOM 0 HA GLU A 110 6.073 6.883 9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.078 8.596 8.295 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.684 7.546 9.642 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.651 9.854 9.820 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.951 9.988 10.226 1.00 0.00 H new ATOM 1695 N ALA A 111 5.373 6.309 6.696 1.00 0.00 N ATOM 1696 CA ALA A 111 5.031 5.245 5.762 1.00 0.00 C ATOM 1697 C ALA A 111 6.026 4.101 5.893 1.00 0.00 C ATOM 1698 O ALA A 111 5.659 2.988 6.273 1.00 0.00 O ATOM 1699 CB ALA A 111 4.992 5.767 4.334 1.00 0.00 C ATOM 0 H ALA A 111 5.679 7.179 6.259 1.00 0.00 H new ATOM 0 HA ALA A 111 4.036 4.874 6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.734 4.953 3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.244 6.556 4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.970 6.167 4.066 1.00 0.00 H new ATOM 1705 N VAL A 112 7.294 4.382 5.599 1.00 0.00 N ATOM 1706 CA VAL A 112 8.337 3.368 5.715 1.00 0.00 C ATOM 1707 C VAL A 112 8.397 2.812 7.134 1.00 0.00 C ATOM 1708 O VAL A 112 8.744 1.652 7.352 1.00 0.00 O ATOM 1709 CB VAL A 112 9.722 3.920 5.341 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.761 2.806 5.374 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.680 4.583 3.974 1.00 0.00 C ATOM 0 H VAL A 112 7.621 5.295 5.282 1.00 0.00 H new ATOM 0 HA VAL A 112 8.077 2.574 5.015 1.00 0.00 H new ATOM 0 HB VAL A 112 10.007 4.675 6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.737 3.211 5.107 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.806 2.380 6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.484 2.029 4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.669 4.968 3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.376 3.852 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.964 5.405 3.990 1.00 0.00 H new ATOM 1721 N ALA A 113 8.049 3.645 8.093 1.00 0.00 N ATOM 1722 CA ALA A 113 8.044 3.236 9.490 1.00 0.00 C ATOM 1723 C ALA A 113 7.016 2.139 9.712 1.00 0.00 C ATOM 1724 O ALA A 113 7.289 1.124 10.353 1.00 0.00 O ATOM 1725 CB ALA A 113 7.726 4.419 10.380 1.00 0.00 C ATOM 0 H ALA A 113 7.765 4.612 7.934 1.00 0.00 H new ATOM 0 HA ALA A 113 9.033 2.855 9.743 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.725 4.100 11.422 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.479 5.194 10.238 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.744 4.816 10.121 1.00 0.00 H new ATOM 1731 N LEU A 114 5.826 2.369 9.177 1.00 0.00 N ATOM 1732 CA LEU A 114 4.724 1.430 9.300 1.00 0.00 C ATOM 1733 C LEU A 114 4.942 0.196 8.431 1.00 0.00 C ATOM 1734 O LEU A 114 4.366 -0.858 8.693 1.00 0.00 O ATOM 1735 CB LEU A 114 3.414 2.132 8.919 1.00 0.00 C ATOM 1736 CG LEU A 114 2.200 1.223 8.697 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.452 0.991 9.999 1.00 0.00 C ATOM 1738 CD2 LEU A 114 1.272 1.833 7.665 1.00 0.00 C ATOM 0 H LEU A 114 5.599 3.210 8.647 1.00 0.00 H new ATOM 0 HA LEU A 114 4.669 1.092 10.335 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.168 2.847 9.704 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.585 2.705 8.007 1.00 0.00 H new ATOM 0 HG LEU A 114 2.557 0.261 8.330 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.595 0.343 9.816 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.117 0.517 10.721 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.107 1.946 10.395 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.413 1.178 7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.929 2.807 8.014 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.805 1.953 6.722 1.00 0.00 H new ATOM 1750 N VAL A 115 5.769 0.319 7.400 1.00 0.00 N ATOM 1751 CA VAL A 115 6.021 -0.813 6.516 1.00 0.00 C ATOM 1752 C VAL A 115 7.025 -1.792 7.119 1.00 0.00 C ATOM 1753 O VAL A 115 6.781 -2.999 7.149 1.00 0.00 O ATOM 1754 CB VAL A 115 6.504 -0.388 5.108 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.927 0.143 5.139 1.00 0.00 C ATOM 1756 CG2 VAL A 115 6.398 -1.559 4.147 1.00 0.00 C ATOM 0 H VAL A 115 6.269 1.175 7.158 1.00 0.00 H new ATOM 0 HA VAL A 115 5.057 -1.309 6.405 1.00 0.00 H new ATOM 0 HB VAL A 115 5.860 0.421 4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 115 8.230 0.431 4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.977 1.012 5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 115 8.597 -0.632 5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.740 -1.251 3.159 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.018 -2.381 4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.360 -1.887 4.086 1.00 0.00 H new ATOM 1766 N GLU A 116 8.153 -1.276 7.590 1.00 0.00 N ATOM 1767 CA GLU A 116 9.187 -2.117 8.182 1.00 0.00 C ATOM 1768 C GLU A 116 8.694 -2.769 9.467 1.00 0.00 C ATOM 1769 O GLU A 116 8.747 -3.989 9.614 1.00 0.00 O ATOM 1770 CB GLU A 116 10.442 -1.292 8.459 1.00 0.00 C ATOM 1771 CG GLU A 116 11.015 -0.634 7.217 1.00 0.00 C ATOM 1772 CD GLU A 116 12.525 -0.526 7.256 1.00 0.00 C ATOM 1773 OE1 GLU A 116 13.192 -1.572 7.406 1.00 0.00 O ATOM 1774 OE2 GLU A 116 13.044 0.604 7.133 1.00 0.00 O ATOM 0 H GLU A 116 8.376 -0.281 7.574 1.00 0.00 H new ATOM 0 HA GLU A 116 9.429 -2.907 7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.207 -0.522 9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 116 11.201 -1.936 8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.718 -1.206 6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.586 0.362 7.108 1.00 0.00 H new ATOM 1781 N ARG A 117 8.222 -1.948 10.397 1.00 0.00 N ATOM 1782 CA ARG A 117 7.722 -2.447 11.673 1.00 0.00 C ATOM 1783 C ARG A 117 6.599 -3.454 11.468 1.00 0.00 C ATOM 1784 O ARG A 117 6.368 -4.324 12.308 1.00 0.00 O ATOM 1785 CB ARG A 117 7.233 -1.288 12.540 1.00 0.00 C ATOM 1786 CG ARG A 117 8.354 -0.410 13.070 1.00 0.00 C ATOM 1787 CD ARG A 117 7.842 0.961 13.480 1.00 0.00 C ATOM 1788 NE ARG A 117 7.327 0.966 14.849 1.00 0.00 N ATOM 1789 CZ ARG A 117 7.960 1.514 15.887 1.00 0.00 C ATOM 1790 NH1 ARG A 117 9.138 2.109 15.727 1.00 0.00 N ATOM 1791 NH2 ARG A 117 7.411 1.468 17.094 1.00 0.00 N ATOM 0 H ARG A 117 8.175 -0.934 10.292 1.00 0.00 H new ATOM 0 HA ARG A 117 8.544 -2.952 12.181 1.00 0.00 H new ATOM 0 HB2 ARG A 117 6.546 -0.674 11.957 1.00 0.00 H new ATOM 0 HB3 ARG A 117 6.667 -1.688 13.381 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.824 -0.895 13.926 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.123 -0.299 12.305 1.00 0.00 H new ATOM 0 HD2 ARG A 117 8.648 1.690 13.393 1.00 0.00 H new ATOM 0 HD3 ARG A 117 7.054 1.274 12.795 1.00 0.00 H new ATOM 0 HE ARG A 117 6.425 0.521 15.021 1.00 0.00 H new ATOM 0 HH11 ARG A 117 9.567 2.150 14.803 1.00 0.00 H new ATOM 0 HH12 ARG A 117 9.613 2.525 16.529 1.00 0.00 H new ATOM 0 HH21 ARG A 117 6.507 1.014 17.226 1.00 0.00 H new ATOM 0 HH22 ARG A 117 7.893 1.886 17.890 1.00 0.00 H new ATOM 1805 N ALA A 118 5.902 -3.327 10.349 1.00 0.00 N ATOM 1806 CA ALA A 118 4.799 -4.217 10.030 1.00 0.00 C ATOM 1807 C ALA A 118 5.296 -5.598 9.626 1.00 0.00 C ATOM 1808 O ALA A 118 4.816 -6.613 10.132 1.00 0.00 O ATOM 1809 CB ALA A 118 3.943 -3.623 8.930 1.00 0.00 C ATOM 0 H ALA A 118 6.083 -2.612 9.644 1.00 0.00 H new ATOM 0 HA ALA A 118 4.193 -4.331 10.929 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.121 -4.301 8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.542 -2.664 9.259 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.550 -3.475 8.037 1.00 0.00 H new ATOM 1815 N ILE A 119 6.262 -5.636 8.714 1.00 0.00 N ATOM 1816 CA ILE A 119 6.818 -6.898 8.254 1.00 0.00 C ATOM 1817 C ILE A 119 7.505 -7.626 9.400 1.00 0.00 C ATOM 1818 O ILE A 119 7.545 -8.855 9.442 1.00 0.00 O ATOM 1819 CB ILE A 119 7.832 -6.686 7.116 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.240 -5.789 6.030 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.267 -8.020 6.527 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.252 -4.847 5.427 1.00 0.00 C ATOM 0 H ILE A 119 6.673 -4.809 8.282 1.00 0.00 H new ATOM 0 HA ILE A 119 5.989 -7.498 7.878 1.00 0.00 H new ATOM 0 HB ILE A 119 8.711 -6.192 7.530 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.818 -6.412 5.242 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.419 -5.210 6.453 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.984 -7.847 5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.732 -8.627 7.304 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.397 -8.543 6.130 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.771 -4.237 4.663 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.657 -4.200 6.206 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.061 -5.422 4.976 1.00 0.00 H new ATOM 1834 N SER A 120 8.044 -6.848 10.328 1.00 0.00 N ATOM 1835 CA SER A 120 8.732 -7.394 11.487 1.00 0.00 C ATOM 1836 C SER A 120 7.743 -7.994 12.480 1.00 0.00 C ATOM 1837 O SER A 120 7.919 -9.121 12.944 1.00 0.00 O ATOM 1838 CB SER A 120 9.566 -6.309 12.170 1.00 0.00 C ATOM 1839 OG SER A 120 10.254 -6.826 13.296 1.00 0.00 O ATOM 0 H SER A 120 8.017 -5.829 10.299 1.00 0.00 H new ATOM 0 HA SER A 120 9.394 -8.188 11.141 1.00 0.00 H new ATOM 0 HB2 SER A 120 10.283 -5.896 11.460 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.918 -5.490 12.481 1.00 0.00 H new ATOM 0 HG SER A 120 10.781 -6.113 13.713 1.00 0.00 H new ATOM 1845 N HIS A 121 6.701 -7.234 12.805 1.00 0.00 N ATOM 1846 CA HIS A 121 5.685 -7.693 13.747 1.00 0.00 C ATOM 1847 C HIS A 121 4.819 -8.788 13.136 1.00 0.00 C ATOM 1848 O HIS A 121 4.218 -9.588 13.852 1.00 0.00 O ATOM 1849 CB HIS A 121 4.811 -6.521 14.199 1.00 0.00 C ATOM 1850 CG HIS A 121 5.428 -5.703 15.291 1.00 0.00 C ATOM 1851 ND1 HIS A 121 6.577 -4.962 15.117 1.00 0.00 N ATOM 1852 CD2 HIS A 121 5.054 -5.516 16.579 1.00 0.00 C ATOM 1853 CE1 HIS A 121 6.884 -4.356 16.250 1.00 0.00 C ATOM 1854 NE2 HIS A 121 5.974 -4.674 17.152 1.00 0.00 N ATOM 0 H HIS A 121 6.538 -6.299 12.431 1.00 0.00 H new ATOM 0 HA HIS A 121 6.197 -8.111 14.614 1.00 0.00 H new ATOM 0 HB2 HIS A 121 4.609 -5.877 13.343 1.00 0.00 H new ATOM 0 HB3 HIS A 121 3.850 -6.905 14.542 1.00 0.00 H new ATOM 0 HD1 HIS A 121 7.108 -4.892 14.249 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.192 -5.949 17.065 1.00 0.00 H new ATOM 0 HE1 HIS A 121 7.735 -3.710 16.411 1.00 0.00 H new ATOM 1863 N TYR A 122 4.759 -8.822 11.810 1.00 0.00 N ATOM 1864 CA TYR A 122 3.964 -9.822 11.109 1.00 0.00 C ATOM 1865 C TYR A 122 4.570 -11.211 11.277 1.00 0.00 C ATOM 1866 O TYR A 122 3.865 -12.175 11.577 1.00 0.00 O ATOM 1867 CB TYR A 122 3.855 -9.474 9.624 1.00 0.00 C ATOM 1868 CG TYR A 122 2.865 -10.336 8.873 1.00 0.00 C ATOM 1869 CD1 TYR A 122 1.577 -10.528 9.356 1.00 0.00 C ATOM 1870 CD2 TYR A 122 3.217 -10.953 7.680 1.00 0.00 C ATOM 1871 CE1 TYR A 122 0.668 -11.312 8.671 1.00 0.00 C ATOM 1872 CE2 TYR A 122 2.314 -11.738 6.989 1.00 0.00 C ATOM 1873 CZ TYR A 122 1.041 -11.914 7.488 1.00 0.00 C ATOM 1874 OH TYR A 122 0.140 -12.697 6.802 1.00 0.00 O ATOM 0 H TYR A 122 5.251 -8.169 11.200 1.00 0.00 H new ATOM 0 HA TYR A 122 2.965 -9.825 11.544 1.00 0.00 H new ATOM 0 HB2 TYR A 122 3.563 -8.429 9.525 1.00 0.00 H new ATOM 0 HB3 TYR A 122 4.837 -9.576 9.162 1.00 0.00 H new ATOM 0 HD1 TYR A 122 1.281 -10.057 10.282 1.00 0.00 H new ATOM 0 HD2 TYR A 122 4.213 -10.817 7.286 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -0.330 -11.452 9.060 1.00 0.00 H new ATOM 0 HE2 TYR A 122 2.604 -12.211 6.063 1.00 0.00 H new ATOM 0 HH TYR A 122 0.562 -13.045 5.989 1.00 0.00 H new ATOM 1884 N GLN A 123 5.880 -11.308 11.080 1.00 0.00 N ATOM 1885 CA GLN A 123 6.580 -12.576 11.209 1.00 0.00 C ATOM 1886 C GLN A 123 6.758 -12.954 12.676 1.00 0.00 C ATOM 1887 O GLN A 123 6.243 -12.279 13.567 1.00 0.00 O ATOM 1888 CB GLN A 123 7.943 -12.505 10.514 1.00 0.00 C ATOM 1889 CG GLN A 123 8.874 -11.449 11.088 1.00 0.00 C ATOM 1890 CD GLN A 123 10.131 -11.271 10.260 1.00 0.00 C ATOM 1891 OE1 GLN A 123 10.419 -12.072 9.369 1.00 0.00 O ATOM 1892 NE2 GLN A 123 10.891 -10.222 10.549 1.00 0.00 N ATOM 0 H GLN A 123 6.478 -10.520 10.830 1.00 0.00 H new ATOM 0 HA GLN A 123 5.977 -13.346 10.728 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.427 -13.479 10.585 1.00 0.00 H new ATOM 0 HB3 GLN A 123 7.789 -12.302 9.454 1.00 0.00 H new ATOM 0 HG2 GLN A 123 8.345 -10.498 11.149 1.00 0.00 H new ATOM 0 HG3 GLN A 123 9.149 -11.726 12.105 1.00 0.00 H new ATOM 0 HE21 GLN A 123 10.616 -9.583 11.295 1.00 0.00 H new ATOM 0 HE22 GLN A 123 11.750 -10.055 10.025 1.00 0.00 H new ATOM 1901 N GLU A 124 7.488 -14.037 12.919 1.00 0.00 N ATOM 1902 CA GLU A 124 7.732 -14.507 14.278 1.00 0.00 C ATOM 1903 C GLU A 124 9.026 -13.921 14.833 1.00 0.00 C ATOM 1904 O GLU A 124 9.164 -12.705 14.960 1.00 0.00 O ATOM 1905 CB GLU A 124 7.796 -16.036 14.305 1.00 0.00 C ATOM 1906 CG GLU A 124 6.455 -16.705 14.055 1.00 0.00 C ATOM 1907 CD GLU A 124 6.516 -18.212 14.215 1.00 0.00 C ATOM 1908 OE1 GLU A 124 7.335 -18.690 15.028 1.00 0.00 O ATOM 1909 OE2 GLU A 124 5.744 -18.913 13.528 1.00 0.00 O ATOM 0 H GLU A 124 7.921 -14.606 12.192 1.00 0.00 H new ATOM 0 HA GLU A 124 6.906 -14.173 14.906 1.00 0.00 H new ATOM 0 HB2 GLU A 124 8.508 -16.375 13.552 1.00 0.00 H new ATOM 0 HB3 GLU A 124 8.179 -16.358 15.273 1.00 0.00 H new ATOM 0 HG2 GLU A 124 5.716 -16.300 14.747 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.115 -16.464 13.048 1.00 0.00 H new TER 1916 GLU A 124