USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 857 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 39 LYS NZ :NH3+ -104:sc= 0.354 (180deg=0) USER MOD Set 1.2: A 64 GLN : amide:sc= -0.323 K(o=0.03,f=-5.6!) USER MOD Single : A 1 MET CE :methyl 157:sc= -0.161 (180deg=-1.54!) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.0398 (180deg=-0.179) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.116 K(o=-0.12,f=-4.9!) USER MOD Single : A 11 ASN : amide:sc= -1.75! C(o=-1.7!,f=-7.9!) USER MOD Single : A 13 ASN : amide:sc= -0.527 X(o=-0.53,f=-0.17) USER MOD Single : A 16 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.21) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.568 K(o=-0.57,f=-3.6!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot -14:sc= -3.04! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -4! C(o=-4!,f=-4.3!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -168:sc= -0.96 (180deg=-1.19) USER MOD Single : A 73 ASN : amide:sc=-0.00617 X(o=-0.0062,f=-0.4) USER MOD Single : A 84 ASN : amide:sc= -0.0898! C(o=-0.09!,f=-6!) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 74:sc= -4.33! USER MOD Single : A 94 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.5) USER MOD Single : A 100 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.226 -11.484 4.399 1.00 0.00 N ATOM 2 CA MET A 1 -8.076 -11.231 5.313 1.00 0.00 C ATOM 3 C MET A 1 -6.800 -10.976 4.506 1.00 0.00 C ATOM 4 O MET A 1 -5.705 -11.238 4.959 1.00 0.00 O ATOM 5 CB MET A 1 -7.943 -12.511 6.138 1.00 0.00 C ATOM 6 CG MET A 1 -7.808 -12.157 7.619 1.00 0.00 C ATOM 7 SD MET A 1 -8.412 -13.536 8.624 1.00 0.00 S ATOM 8 CE MET A 1 -7.565 -14.856 7.720 1.00 0.00 C ATOM 0 H1 MET A 1 -10.035 -11.836 4.949 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.491 -10.599 3.921 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.955 -12.193 3.688 1.00 0.00 H new ATOM 0 HA MET A 1 -8.231 -10.353 5.940 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.815 -13.147 5.984 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.073 -13.079 5.809 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.766 -11.946 7.860 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.376 -11.254 7.842 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.450 -15.725 8.368 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.152 -15.132 6.844 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.582 -14.507 7.403 1.00 0.00 H new ATOM 20 N ARG A 2 -6.934 -10.466 3.311 1.00 0.00 N ATOM 21 CA ARG A 2 -5.729 -10.192 2.476 1.00 0.00 C ATOM 22 C ARG A 2 -5.240 -8.758 2.708 1.00 0.00 C ATOM 23 O ARG A 2 -5.980 -7.909 3.164 1.00 0.00 O ATOM 24 CB ARG A 2 -6.197 -10.370 1.031 1.00 0.00 C ATOM 25 CG ARG A 2 -5.416 -11.510 0.376 1.00 0.00 C ATOM 26 CD ARG A 2 -4.133 -10.954 -0.242 1.00 0.00 C ATOM 27 NE ARG A 2 -3.079 -11.942 0.113 1.00 0.00 N ATOM 28 CZ ARG A 2 -2.093 -11.592 0.891 1.00 0.00 C ATOM 29 NH1 ARG A 2 -2.252 -11.598 2.187 1.00 0.00 N ATOM 30 NH2 ARG A 2 -0.951 -11.233 0.375 1.00 0.00 N ATOM 0 H ARG A 2 -7.826 -10.227 2.877 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.899 -10.855 2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.265 -10.587 1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.048 -9.446 0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.176 -12.274 1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.024 -11.989 -0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.228 -10.849 -1.323 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.899 -9.966 0.155 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.128 -12.893 -0.252 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -3.147 -11.876 2.590 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.481 -11.324 2.797 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -0.829 -11.226 -0.638 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -0.180 -10.959 0.984 1.00 0.00 H new ATOM 44 N ARG A 3 -4.003 -8.483 2.397 1.00 0.00 N ATOM 45 CA ARG A 3 -3.472 -7.104 2.602 1.00 0.00 C ATOM 46 C ARG A 3 -3.483 -6.332 1.282 1.00 0.00 C ATOM 47 O ARG A 3 -3.116 -6.851 0.247 1.00 0.00 O ATOM 48 CB ARG A 3 -2.038 -7.303 3.095 1.00 0.00 C ATOM 49 CG ARG A 3 -1.869 -6.624 4.455 1.00 0.00 C ATOM 50 CD ARG A 3 -0.386 -6.587 4.830 1.00 0.00 C ATOM 51 NE ARG A 3 0.001 -8.014 5.013 1.00 0.00 N ATOM 52 CZ ARG A 3 1.247 -8.331 5.249 1.00 0.00 C ATOM 53 NH1 ARG A 3 2.164 -7.402 5.295 1.00 0.00 N ATOM 54 NH2 ARG A 3 1.576 -9.580 5.437 1.00 0.00 N ATOM 0 H ARG A 3 -3.337 -9.152 2.010 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.071 -6.531 3.309 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.814 -8.367 3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.333 -6.884 2.377 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.271 -5.611 4.420 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.433 -7.164 5.215 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.207 -6.114 4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.224 -6.014 5.743 1.00 0.00 H new ATOM 0 HE ARG A 3 -0.708 -8.745 4.954 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.909 -6.426 5.147 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.135 -7.653 5.479 1.00 0.00 H new ATOM 0 HH21 ARG A 3 0.861 -10.307 5.400 1.00 0.00 H new ATOM 0 HH22 ARG A 3 2.548 -9.829 5.621 1.00 0.00 H new ATOM 68 N TYR A 4 -3.903 -5.094 1.302 1.00 0.00 N ATOM 69 CA TYR A 4 -3.934 -4.308 0.043 1.00 0.00 C ATOM 70 C TYR A 4 -3.253 -2.956 0.239 1.00 0.00 C ATOM 71 O TYR A 4 -3.032 -2.510 1.347 1.00 0.00 O ATOM 72 CB TYR A 4 -5.412 -4.101 -0.259 1.00 0.00 C ATOM 73 CG TYR A 4 -6.067 -5.430 -0.548 1.00 0.00 C ATOM 74 CD1 TYR A 4 -6.527 -6.226 0.506 1.00 0.00 C ATOM 75 CD2 TYR A 4 -6.216 -5.863 -1.871 1.00 0.00 C ATOM 76 CE1 TYR A 4 -7.138 -7.456 0.238 1.00 0.00 C ATOM 77 CE2 TYR A 4 -6.826 -7.094 -2.140 1.00 0.00 C ATOM 78 CZ TYR A 4 -7.287 -7.892 -1.085 1.00 0.00 C ATOM 79 OH TYR A 4 -7.888 -9.105 -1.349 1.00 0.00 O ATOM 0 H TYR A 4 -4.224 -4.599 2.134 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.411 -4.819 -0.765 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.902 -3.621 0.588 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.528 -3.435 -1.114 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.411 -5.891 1.526 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -5.860 -5.247 -2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.495 -8.070 1.052 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -6.941 -7.428 -3.160 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.912 -9.254 -2.317 1.00 0.00 H new ATOM 89 N GLU A 5 -2.941 -2.298 -0.836 1.00 0.00 N ATOM 90 CA GLU A 5 -2.296 -0.960 -0.735 1.00 0.00 C ATOM 91 C GLU A 5 -3.284 0.103 -1.208 1.00 0.00 C ATOM 92 O GLU A 5 -3.953 -0.063 -2.208 1.00 0.00 O ATOM 93 CB GLU A 5 -1.084 -1.026 -1.667 1.00 0.00 C ATOM 94 CG GLU A 5 0.098 -1.656 -0.929 1.00 0.00 C ATOM 95 CD GLU A 5 -0.295 -3.047 -0.427 1.00 0.00 C ATOM 96 OE1 GLU A 5 -0.888 -3.786 -1.195 1.00 0.00 O ATOM 97 OE2 GLU A 5 0.003 -3.348 0.717 1.00 0.00 O ATOM 0 H GLU A 5 -3.105 -2.629 -1.787 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.998 -0.707 0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.326 -1.612 -2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.821 -0.025 -2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.959 -1.728 -1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.394 -1.026 -0.091 1.00 0.00 H new ATOM 104 N VAL A 6 -3.398 1.187 -0.496 1.00 0.00 N ATOM 105 CA VAL A 6 -4.366 2.240 -0.920 1.00 0.00 C ATOM 106 C VAL A 6 -3.661 3.330 -1.729 1.00 0.00 C ATOM 107 O VAL A 6 -2.843 4.069 -1.218 1.00 0.00 O ATOM 108 CB VAL A 6 -4.928 2.816 0.378 1.00 0.00 C ATOM 109 CG1 VAL A 6 -5.945 3.911 0.050 1.00 0.00 C ATOM 110 CG2 VAL A 6 -5.621 1.702 1.169 1.00 0.00 C ATOM 0 H VAL A 6 -2.870 1.391 0.353 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.150 1.834 -1.560 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.117 3.237 0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.347 4.323 0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.457 4.703 -0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.757 3.488 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.023 2.110 2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.433 1.284 0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.900 0.918 1.400 1.00 0.00 H new ATOM 120 N ASN A 7 -3.987 3.441 -2.987 1.00 0.00 N ATOM 121 CA ASN A 7 -3.356 4.489 -3.833 1.00 0.00 C ATOM 122 C ASN A 7 -4.394 5.560 -4.169 1.00 0.00 C ATOM 123 O ASN A 7 -5.170 5.416 -5.093 1.00 0.00 O ATOM 124 CB ASN A 7 -2.904 3.762 -5.102 1.00 0.00 C ATOM 125 CG ASN A 7 -1.629 2.968 -4.813 1.00 0.00 C ATOM 126 OD1 ASN A 7 -1.395 2.557 -3.694 1.00 0.00 O ATOM 127 ND2 ASN A 7 -0.788 2.735 -5.784 1.00 0.00 N ATOM 0 H ASN A 7 -4.665 2.849 -3.466 1.00 0.00 H new ATOM 0 HA ASN A 7 -2.521 4.984 -3.337 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.691 3.092 -5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.723 4.482 -5.900 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.066 2.208 -5.603 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.985 3.080 -6.723 1.00 0.00 H new ATOM 134 N ILE A 8 -4.422 6.627 -3.422 1.00 0.00 N ATOM 135 CA ILE A 8 -5.421 7.699 -3.696 1.00 0.00 C ATOM 136 C ILE A 8 -4.719 9.042 -3.897 1.00 0.00 C ATOM 137 O ILE A 8 -3.812 9.395 -3.172 1.00 0.00 O ATOM 138 CB ILE A 8 -6.307 7.740 -2.452 1.00 0.00 C ATOM 139 CG1 ILE A 8 -7.037 6.402 -2.301 1.00 0.00 C ATOM 140 CG2 ILE A 8 -7.334 8.866 -2.591 1.00 0.00 C ATOM 141 CD1 ILE A 8 -8.058 6.247 -3.430 1.00 0.00 C ATOM 0 H ILE A 8 -3.798 6.804 -2.635 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.995 7.504 -4.602 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.688 7.919 -1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.321 5.580 -2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.538 6.356 -1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.965 8.894 -1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.816 9.819 -2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.953 8.688 -3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.577 5.295 -3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.780 7.062 -3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.545 6.274 -4.391 1.00 0.00 H new ATOM 153 N VAL A 9 -5.139 9.796 -4.875 1.00 0.00 N ATOM 154 CA VAL A 9 -4.504 11.120 -5.120 1.00 0.00 C ATOM 155 C VAL A 9 -5.470 12.239 -4.722 1.00 0.00 C ATOM 156 O VAL A 9 -6.539 12.375 -5.282 1.00 0.00 O ATOM 157 CB VAL A 9 -4.233 11.155 -6.624 1.00 0.00 C ATOM 158 CG1 VAL A 9 -5.563 11.132 -7.380 1.00 0.00 C ATOM 159 CG2 VAL A 9 -3.468 12.432 -6.974 1.00 0.00 C ATOM 0 H VAL A 9 -5.895 9.552 -5.515 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.592 11.260 -4.540 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.638 10.287 -6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.372 11.157 -8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.108 10.222 -7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.157 12.001 -7.097 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.274 12.458 -8.046 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.062 13.301 -6.692 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.521 12.449 -6.434 1.00 0.00 H new ATOM 169 N LEU A 10 -5.105 13.036 -3.758 1.00 0.00 N ATOM 170 CA LEU A 10 -6.010 14.140 -3.326 1.00 0.00 C ATOM 171 C LEU A 10 -5.375 15.500 -3.635 1.00 0.00 C ATOM 172 O LEU A 10 -4.168 15.644 -3.646 1.00 0.00 O ATOM 173 CB LEU A 10 -6.160 13.954 -1.816 1.00 0.00 C ATOM 174 CG LEU A 10 -6.985 12.698 -1.532 1.00 0.00 C ATOM 175 CD1 LEU A 10 -6.196 11.763 -0.614 1.00 0.00 C ATOM 176 CD2 LEU A 10 -8.294 13.097 -0.846 1.00 0.00 C ATOM 0 H LEU A 10 -4.222 12.972 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.970 14.113 -3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.178 13.869 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.645 14.826 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.203 12.186 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.785 10.868 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.262 11.480 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.978 12.273 0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.885 12.204 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.073 13.608 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.858 13.764 -1.498 1.00 0.00 H new ATOM 188 N ASN A 11 -6.177 16.500 -3.881 1.00 0.00 N ATOM 189 CA ASN A 11 -5.616 17.849 -4.183 1.00 0.00 C ATOM 190 C ASN A 11 -5.101 18.503 -2.895 1.00 0.00 C ATOM 191 O ASN A 11 -5.813 18.585 -1.915 1.00 0.00 O ATOM 192 CB ASN A 11 -6.785 18.647 -4.759 1.00 0.00 C ATOM 193 CG ASN A 11 -6.258 19.679 -5.757 1.00 0.00 C ATOM 194 OD1 ASN A 11 -5.077 19.723 -6.036 1.00 0.00 O ATOM 195 ND2 ASN A 11 -7.092 20.517 -6.311 1.00 0.00 N ATOM 0 H ASN A 11 -7.195 16.442 -3.886 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.777 17.803 -4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.489 17.976 -5.251 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.328 19.146 -3.957 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.752 21.209 -6.979 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.084 20.480 -6.076 1.00 0.00 H new ATOM 202 N PRO A 12 -3.872 18.942 -2.943 1.00 0.00 N ATOM 203 CA PRO A 12 -3.248 19.588 -1.769 1.00 0.00 C ATOM 204 C PRO A 12 -3.630 21.067 -1.714 1.00 0.00 C ATOM 205 O PRO A 12 -2.790 21.931 -1.555 1.00 0.00 O ATOM 206 CB PRO A 12 -1.755 19.423 -2.027 1.00 0.00 C ATOM 207 CG PRO A 12 -1.617 19.296 -3.516 1.00 0.00 C ATOM 208 CD PRO A 12 -2.956 18.877 -4.081 1.00 0.00 C ATOM 0 HA PRO A 12 -3.563 19.156 -0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.195 20.280 -1.653 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.364 18.541 -1.520 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.301 20.244 -3.951 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.852 18.560 -3.765 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.273 19.542 -4.884 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.913 17.871 -4.499 1.00 0.00 H new ATOM 216 N ASN A 13 -4.889 21.361 -1.849 1.00 0.00 N ATOM 217 CA ASN A 13 -5.330 22.785 -1.808 1.00 0.00 C ATOM 218 C ASN A 13 -5.811 23.155 -0.401 1.00 0.00 C ATOM 219 O ASN A 13 -6.098 24.301 -0.117 1.00 0.00 O ATOM 220 CB ASN A 13 -6.481 22.873 -2.812 1.00 0.00 C ATOM 221 CG ASN A 13 -6.990 24.314 -2.879 1.00 0.00 C ATOM 222 OD1 ASN A 13 -8.183 24.550 -2.870 1.00 0.00 O ATOM 223 ND2 ASN A 13 -6.132 25.294 -2.951 1.00 0.00 N ATOM 0 H ASN A 13 -5.635 20.679 -1.986 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.521 23.473 -2.054 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.144 22.549 -3.797 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.289 22.204 -2.515 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.462 26.258 -3.000 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.131 25.096 -2.959 1.00 0.00 H new ATOM 230 N LEU A 14 -5.905 22.197 0.482 1.00 0.00 N ATOM 231 CA LEU A 14 -6.368 22.508 1.866 1.00 0.00 C ATOM 232 C LEU A 14 -5.173 22.641 2.813 1.00 0.00 C ATOM 233 O LEU A 14 -4.095 22.149 2.542 1.00 0.00 O ATOM 234 CB LEU A 14 -7.260 21.328 2.266 1.00 0.00 C ATOM 235 CG LEU A 14 -6.408 20.088 2.543 1.00 0.00 C ATOM 236 CD1 LEU A 14 -6.992 19.333 3.736 1.00 0.00 C ATOM 237 CD2 LEU A 14 -6.415 19.182 1.311 1.00 0.00 C ATOM 0 H LEU A 14 -5.683 21.217 0.306 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.908 23.454 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.839 21.585 3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.974 21.117 1.470 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.384 20.387 2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.388 18.448 3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.990 19.981 4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.015 19.031 3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.808 18.298 1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.438 18.878 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.004 19.723 0.459 1.00 0.00 H new ATOM 249 N ASP A 15 -5.358 23.299 3.921 1.00 0.00 N ATOM 250 CA ASP A 15 -4.238 23.464 4.891 1.00 0.00 C ATOM 251 C ASP A 15 -4.308 22.375 5.965 1.00 0.00 C ATOM 252 O ASP A 15 -5.139 21.491 5.909 1.00 0.00 O ATOM 253 CB ASP A 15 -4.447 24.847 5.511 1.00 0.00 C ATOM 254 CG ASP A 15 -5.782 24.880 6.257 1.00 0.00 C ATOM 255 OD1 ASP A 15 -5.866 24.268 7.309 1.00 0.00 O ATOM 256 OD2 ASP A 15 -6.698 25.518 5.765 1.00 0.00 O ATOM 0 H ASP A 15 -6.239 23.732 4.199 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.262 23.378 4.414 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.631 25.076 6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.435 25.611 4.733 1.00 0.00 H new ATOM 261 N GLN A 16 -3.449 22.436 6.945 1.00 0.00 N ATOM 262 CA GLN A 16 -3.479 21.404 8.021 1.00 0.00 C ATOM 263 C GLN A 16 -4.782 21.519 8.814 1.00 0.00 C ATOM 264 O GLN A 16 -5.386 20.531 9.182 1.00 0.00 O ATOM 265 CB GLN A 16 -2.275 21.721 8.910 1.00 0.00 C ATOM 266 CG GLN A 16 -2.258 20.764 10.104 1.00 0.00 C ATOM 267 CD GLN A 16 -0.814 20.383 10.434 1.00 0.00 C ATOM 268 OE1 GLN A 16 -0.094 19.888 9.588 1.00 0.00 O ATOM 269 NE2 GLN A 16 -0.356 20.592 11.638 1.00 0.00 N ATOM 0 H GLN A 16 -2.730 23.152 7.048 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.432 20.389 7.627 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.352 21.624 8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.327 22.753 9.258 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.727 21.235 10.968 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.838 19.870 9.875 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.959 21.007 12.348 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.605 20.340 11.869 1.00 0.00 H new ATOM 278 N SER A 17 -5.222 22.719 9.081 1.00 0.00 N ATOM 279 CA SER A 17 -6.483 22.896 9.848 1.00 0.00 C ATOM 280 C SER A 17 -7.635 22.182 9.137 1.00 0.00 C ATOM 281 O SER A 17 -8.402 21.463 9.747 1.00 0.00 O ATOM 282 CB SER A 17 -6.721 24.405 9.882 1.00 0.00 C ATOM 283 OG SER A 17 -6.791 24.840 11.234 1.00 0.00 O ATOM 0 H SER A 17 -4.760 23.584 8.800 1.00 0.00 H new ATOM 0 HA SER A 17 -6.420 22.475 10.851 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.915 24.924 9.363 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.646 24.651 9.361 1.00 0.00 H new ATOM 0 HG SER A 17 -6.942 25.808 11.259 1.00 0.00 H new ATOM 289 N GLN A 18 -7.759 22.362 7.849 1.00 0.00 N ATOM 290 CA GLN A 18 -8.856 21.678 7.109 1.00 0.00 C ATOM 291 C GLN A 18 -8.587 20.174 7.084 1.00 0.00 C ATOM 292 O GLN A 18 -9.455 19.368 7.351 1.00 0.00 O ATOM 293 CB GLN A 18 -8.803 22.251 5.693 1.00 0.00 C ATOM 294 CG GLN A 18 -9.397 23.659 5.686 1.00 0.00 C ATOM 295 CD GLN A 18 -10.758 23.633 4.986 1.00 0.00 C ATOM 296 OE1 GLN A 18 -11.098 22.668 4.331 1.00 0.00 O ATOM 297 NE2 GLN A 18 -11.554 24.660 5.099 1.00 0.00 N ATOM 0 H GLN A 18 -7.150 22.951 7.280 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.832 21.833 7.569 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.772 22.279 5.340 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.357 21.608 5.009 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.508 24.024 6.707 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.725 24.347 5.173 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.267 25.469 5.649 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.463 24.654 4.637 1.00 0.00 H new ATOM 306 N LEU A 19 -7.380 19.799 6.769 1.00 0.00 N ATOM 307 CA LEU A 19 -7.030 18.352 6.727 1.00 0.00 C ATOM 308 C LEU A 19 -7.224 17.716 8.107 1.00 0.00 C ATOM 309 O LEU A 19 -7.612 16.571 8.221 1.00 0.00 O ATOM 310 CB LEU A 19 -5.556 18.317 6.323 1.00 0.00 C ATOM 311 CG LEU A 19 -5.145 16.878 6.009 1.00 0.00 C ATOM 312 CD1 LEU A 19 -4.891 16.735 4.508 1.00 0.00 C ATOM 313 CD2 LEU A 19 -3.866 16.535 6.776 1.00 0.00 C ATOM 0 H LEU A 19 -6.617 20.435 6.538 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.659 17.795 6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.392 18.951 5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.938 18.715 7.128 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.943 16.199 6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.598 15.709 4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.801 16.980 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.093 17.414 4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.572 15.509 6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.068 17.215 6.476 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.045 16.636 7.846 1.00 0.00 H new ATOM 325 N ALA A 20 -6.951 18.443 9.157 1.00 0.00 N ATOM 326 CA ALA A 20 -7.114 17.866 10.516 1.00 0.00 C ATOM 327 C ALA A 20 -8.552 17.386 10.714 1.00 0.00 C ATOM 328 O ALA A 20 -8.799 16.377 11.343 1.00 0.00 O ATOM 329 CB ALA A 20 -6.794 19.011 11.476 1.00 0.00 C ATOM 0 H ALA A 20 -6.623 19.409 9.130 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.465 17.006 10.680 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.893 18.662 12.504 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.774 19.354 11.306 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.487 19.834 11.304 1.00 0.00 H new ATOM 335 N LEU A 21 -9.499 18.105 10.185 1.00 0.00 N ATOM 336 CA LEU A 21 -10.919 17.701 10.343 1.00 0.00 C ATOM 337 C LEU A 21 -11.152 16.309 9.742 1.00 0.00 C ATOM 338 O LEU A 21 -11.981 15.552 10.204 1.00 0.00 O ATOM 339 CB LEU A 21 -11.718 18.778 9.595 1.00 0.00 C ATOM 340 CG LEU A 21 -11.877 18.404 8.118 1.00 0.00 C ATOM 341 CD1 LEU A 21 -13.100 17.502 7.947 1.00 0.00 C ATOM 342 CD2 LEU A 21 -12.064 19.678 7.290 1.00 0.00 C ATOM 0 H LEU A 21 -9.349 18.959 9.648 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.220 17.631 11.388 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.700 18.894 10.054 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.211 19.739 9.680 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.987 17.875 7.779 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.212 17.237 6.896 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.969 16.596 8.538 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.992 18.030 8.285 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.177 19.415 6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.955 20.206 7.630 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.193 20.322 7.411 1.00 0.00 H new ATOM 354 N GLU A 22 -10.427 15.972 8.712 1.00 0.00 N ATOM 355 CA GLU A 22 -10.606 14.633 8.078 1.00 0.00 C ATOM 356 C GLU A 22 -10.069 13.529 8.997 1.00 0.00 C ATOM 357 O GLU A 22 -10.449 12.380 8.888 1.00 0.00 O ATOM 358 CB GLU A 22 -9.810 14.696 6.769 1.00 0.00 C ATOM 359 CG GLU A 22 -8.327 14.415 7.035 1.00 0.00 C ATOM 360 CD GLU A 22 -7.993 12.983 6.615 1.00 0.00 C ATOM 361 OE1 GLU A 22 -8.248 12.648 5.470 1.00 0.00 O ATOM 362 OE2 GLU A 22 -7.488 12.245 7.445 1.00 0.00 O ATOM 0 H GLU A 22 -9.718 16.565 8.281 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.656 14.401 7.897 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.204 13.967 6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.925 15.679 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.708 15.121 6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.104 14.556 8.093 1.00 0.00 H new ATOM 369 N LYS A 23 -9.196 13.869 9.905 1.00 0.00 N ATOM 370 CA LYS A 23 -8.649 12.840 10.827 1.00 0.00 C ATOM 371 C LYS A 23 -9.764 12.379 11.769 1.00 0.00 C ATOM 372 O LYS A 23 -9.924 11.205 12.037 1.00 0.00 O ATOM 373 CB LYS A 23 -7.512 13.574 11.557 1.00 0.00 C ATOM 374 CG LYS A 23 -7.581 13.372 13.073 1.00 0.00 C ATOM 375 CD LYS A 23 -8.385 14.519 13.676 1.00 0.00 C ATOM 376 CE LYS A 23 -9.313 13.985 14.769 1.00 0.00 C ATOM 377 NZ LYS A 23 -8.701 14.444 16.046 1.00 0.00 N ATOM 0 H LYS A 23 -8.840 14.814 10.047 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.278 11.938 10.339 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.552 13.215 11.187 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.563 14.639 11.330 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.050 12.416 13.307 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.578 13.348 13.498 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.711 15.268 14.092 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.969 15.013 12.900 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.325 14.373 14.653 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.383 12.898 14.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.280 14.117 16.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.741 14.053 16.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.654 15.483 16.055 1.00 0.00 H new ATOM 391 N GLU A 24 -10.541 13.301 12.260 1.00 0.00 N ATOM 392 CA GLU A 24 -11.657 12.923 13.174 1.00 0.00 C ATOM 393 C GLU A 24 -12.628 11.992 12.444 1.00 0.00 C ATOM 394 O GLU A 24 -12.958 10.924 12.920 1.00 0.00 O ATOM 395 CB GLU A 24 -12.344 14.243 13.535 1.00 0.00 C ATOM 396 CG GLU A 24 -12.696 14.244 15.025 1.00 0.00 C ATOM 397 CD GLU A 24 -12.418 15.628 15.616 1.00 0.00 C ATOM 398 OE1 GLU A 24 -12.576 16.600 14.898 1.00 0.00 O ATOM 399 OE2 GLU A 24 -12.051 15.691 16.779 1.00 0.00 O ATOM 0 H GLU A 24 -10.454 14.299 12.070 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.309 12.396 14.062 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.687 15.082 13.305 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.246 14.371 12.937 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.745 13.983 15.161 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.109 13.489 15.548 1.00 0.00 H new ATOM 406 N ILE A 25 -13.077 12.386 11.283 1.00 0.00 N ATOM 407 CA ILE A 25 -14.015 11.527 10.511 1.00 0.00 C ATOM 408 C ILE A 25 -13.311 10.233 10.100 1.00 0.00 C ATOM 409 O ILE A 25 -13.886 9.162 10.127 1.00 0.00 O ATOM 410 CB ILE A 25 -14.380 12.355 9.282 1.00 0.00 C ATOM 411 CG1 ILE A 25 -14.993 13.685 9.726 1.00 0.00 C ATOM 412 CG2 ILE A 25 -15.391 11.588 8.436 1.00 0.00 C ATOM 413 CD1 ILE A 25 -16.298 13.419 10.479 1.00 0.00 C ATOM 0 H ILE A 25 -12.832 13.270 10.836 1.00 0.00 H new ATOM 0 HA ILE A 25 -14.897 11.244 11.086 1.00 0.00 H new ATOM 0 HB ILE A 25 -13.483 12.547 8.693 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -14.295 14.224 10.366 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -15.183 14.317 8.859 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -15.653 12.178 7.558 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.956 10.640 8.120 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -16.288 11.397 9.025 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -16.735 14.366 10.795 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -16.996 12.898 9.824 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -16.094 12.803 11.355 1.00 0.00 H new ATOM 425 N ILE A 26 -12.066 10.328 9.720 1.00 0.00 N ATOM 426 CA ILE A 26 -11.314 9.109 9.308 1.00 0.00 C ATOM 427 C ILE A 26 -11.293 8.095 10.458 1.00 0.00 C ATOM 428 O ILE A 26 -11.384 6.902 10.246 1.00 0.00 O ATOM 429 CB ILE A 26 -9.902 9.618 8.987 1.00 0.00 C ATOM 430 CG1 ILE A 26 -9.851 10.079 7.526 1.00 0.00 C ATOM 431 CG2 ILE A 26 -8.873 8.503 9.201 1.00 0.00 C ATOM 432 CD1 ILE A 26 -9.877 8.858 6.603 1.00 0.00 C ATOM 0 H ILE A 26 -11.536 11.199 9.677 1.00 0.00 H new ATOM 0 HA ILE A 26 -11.762 8.599 8.455 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.666 10.450 9.650 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.698 10.730 7.309 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.947 10.662 7.349 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.876 8.878 8.970 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.904 8.173 10.239 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.105 7.663 8.546 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.841 9.186 5.564 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.015 8.224 6.814 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.793 8.293 6.773 1.00 0.00 H new ATOM 444 N GLN A 27 -11.175 8.558 11.675 1.00 0.00 N ATOM 445 CA GLN A 27 -11.150 7.612 12.824 1.00 0.00 C ATOM 446 C GLN A 27 -12.398 6.729 12.790 1.00 0.00 C ATOM 447 O GLN A 27 -12.324 5.522 12.912 1.00 0.00 O ATOM 448 CB GLN A 27 -11.159 8.502 14.069 1.00 0.00 C ATOM 449 CG GLN A 27 -9.832 8.344 14.817 1.00 0.00 C ATOM 450 CD GLN A 27 -9.257 9.726 15.136 1.00 0.00 C ATOM 451 OE1 GLN A 27 -9.984 10.587 15.796 1.00 0.00 O flip ATOM 452 NE2 GLN A 27 -8.134 10.026 14.784 1.00 0.00 N flip ATOM 0 H GLN A 27 -11.095 9.545 11.920 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.283 6.951 12.804 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.307 9.544 13.784 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -11.990 8.229 14.719 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.986 7.781 15.738 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.126 7.776 14.211 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.565 9.355 14.268 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.760 10.949 15.004 1.00 0.00 H new ATOM 461 N ARG A 28 -13.542 7.324 12.613 1.00 0.00 N ATOM 462 CA ARG A 28 -14.800 6.526 12.550 1.00 0.00 C ATOM 463 C ARG A 28 -14.911 5.805 11.201 1.00 0.00 C ATOM 464 O ARG A 28 -15.484 4.738 11.102 1.00 0.00 O ATOM 465 CB ARG A 28 -15.925 7.551 12.703 1.00 0.00 C ATOM 466 CG ARG A 28 -15.798 8.255 14.058 1.00 0.00 C ATOM 467 CD ARG A 28 -15.943 7.229 15.186 1.00 0.00 C ATOM 468 NE ARG A 28 -17.172 7.640 15.921 1.00 0.00 N ATOM 469 CZ ARG A 28 -17.729 6.822 16.770 1.00 0.00 C ATOM 470 NH1 ARG A 28 -16.988 6.095 17.562 1.00 0.00 N ATOM 471 NH2 ARG A 28 -19.030 6.730 16.830 1.00 0.00 N ATOM 0 H ARG A 28 -13.663 8.331 12.509 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.837 5.757 13.321 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -15.877 8.282 11.896 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -16.894 7.057 12.628 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.832 8.755 14.130 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -16.564 9.025 14.152 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.039 6.218 14.791 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.071 7.235 15.840 1.00 0.00 H new ATOM 0 HE ARG A 28 -17.578 8.562 15.760 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -15.971 6.166 17.517 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -17.426 5.456 18.225 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -19.610 7.298 16.213 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.466 6.090 17.494 1.00 0.00 H new ATOM 485 N ALA A 29 -14.392 6.397 10.157 1.00 0.00 N ATOM 486 CA ALA A 29 -14.493 5.773 8.811 1.00 0.00 C ATOM 487 C ALA A 29 -13.596 4.544 8.685 1.00 0.00 C ATOM 488 O ALA A 29 -14.012 3.526 8.169 1.00 0.00 O ATOM 489 CB ALA A 29 -14.060 6.862 7.831 1.00 0.00 C ATOM 0 H ALA A 29 -13.901 7.290 10.182 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.506 5.420 8.616 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.108 6.475 6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.724 7.721 7.925 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.038 7.168 8.055 1.00 0.00 H new ATOM 495 N LEU A 30 -12.377 4.604 9.144 1.00 0.00 N ATOM 496 CA LEU A 30 -11.522 3.392 9.013 1.00 0.00 C ATOM 497 C LEU A 30 -12.301 2.216 9.586 1.00 0.00 C ATOM 498 O LEU A 30 -12.337 1.143 9.019 1.00 0.00 O ATOM 499 CB LEU A 30 -10.244 3.658 9.817 1.00 0.00 C ATOM 500 CG LEU A 30 -10.585 4.230 11.193 1.00 0.00 C ATOM 501 CD1 LEU A 30 -10.682 3.103 12.216 1.00 0.00 C ATOM 502 CD2 LEU A 30 -9.482 5.196 11.617 1.00 0.00 C ATOM 0 H LEU A 30 -11.946 5.413 9.591 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.258 3.167 7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.680 2.732 9.931 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.605 4.355 9.275 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.541 4.751 11.141 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.925 3.519 13.194 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.462 2.404 11.915 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.728 2.579 12.272 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.717 5.609 12.598 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.532 4.664 11.665 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.408 6.005 10.891 1.00 0.00 H new ATOM 514 N GLU A 31 -12.965 2.425 10.689 1.00 0.00 N ATOM 515 CA GLU A 31 -13.780 1.336 11.269 1.00 0.00 C ATOM 516 C GLU A 31 -14.959 1.045 10.335 1.00 0.00 C ATOM 517 O GLU A 31 -15.294 -0.097 10.089 1.00 0.00 O ATOM 518 CB GLU A 31 -14.272 1.865 12.615 1.00 0.00 C ATOM 519 CG GLU A 31 -13.214 1.595 13.685 1.00 0.00 C ATOM 520 CD GLU A 31 -13.361 0.162 14.200 1.00 0.00 C ATOM 521 OE1 GLU A 31 -14.460 -0.364 14.127 1.00 0.00 O ATOM 522 OE2 GLU A 31 -12.372 -0.384 14.660 1.00 0.00 O ATOM 0 H GLU A 31 -12.975 3.303 11.208 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.219 0.410 11.394 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.471 2.934 12.547 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.211 1.382 12.887 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.217 1.743 13.271 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -13.325 2.301 14.508 1.00 0.00 H new ATOM 529 N ASN A 32 -15.582 2.067 9.792 1.00 0.00 N ATOM 530 CA ASN A 32 -16.711 1.822 8.862 1.00 0.00 C ATOM 531 C ASN A 32 -16.211 0.935 7.728 1.00 0.00 C ATOM 532 O ASN A 32 -16.892 0.044 7.259 1.00 0.00 O ATOM 533 CB ASN A 32 -17.109 3.203 8.342 1.00 0.00 C ATOM 534 CG ASN A 32 -18.535 3.153 7.791 1.00 0.00 C ATOM 535 OD1 ASN A 32 -18.742 2.845 6.634 1.00 0.00 O ATOM 536 ND2 ASN A 32 -19.534 3.446 8.578 1.00 0.00 N ATOM 0 H ASN A 32 -15.354 3.047 9.956 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.560 1.324 9.330 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.044 3.937 9.145 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -16.418 3.522 7.562 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -20.489 3.417 8.222 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.359 3.704 9.549 1.00 0.00 H new ATOM 543 N TYR A 33 -15.001 1.172 7.304 1.00 0.00 N ATOM 544 CA TYR A 33 -14.396 0.373 6.233 1.00 0.00 C ATOM 545 C TYR A 33 -14.060 -1.023 6.767 1.00 0.00 C ATOM 546 O TYR A 33 -13.610 -1.887 6.040 1.00 0.00 O ATOM 547 CB TYR A 33 -13.123 1.150 5.919 1.00 0.00 C ATOM 548 CG TYR A 33 -13.031 1.426 4.443 1.00 0.00 C ATOM 549 CD1 TYR A 33 -14.079 2.086 3.797 1.00 0.00 C ATOM 550 CD2 TYR A 33 -11.895 1.040 3.726 1.00 0.00 C ATOM 551 CE1 TYR A 33 -13.993 2.361 2.429 1.00 0.00 C ATOM 552 CE2 TYR A 33 -11.810 1.312 2.358 1.00 0.00 C ATOM 553 CZ TYR A 33 -12.858 1.974 1.710 1.00 0.00 C ATOM 554 OH TYR A 33 -12.770 2.245 0.361 1.00 0.00 O ATOM 0 H TYR A 33 -14.400 1.909 7.673 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.036 0.230 5.363 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -13.116 2.089 6.473 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -12.252 0.581 6.245 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.955 2.384 4.354 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.085 0.533 4.228 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -14.802 2.872 1.928 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -10.935 1.011 1.801 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.653 2.500 0.020 1.00 0.00 H new ATOM 564 N GLY A 34 -14.265 -1.242 8.041 1.00 0.00 N ATOM 565 CA GLY A 34 -13.948 -2.567 8.633 1.00 0.00 C ATOM 566 C GLY A 34 -12.503 -2.922 8.296 1.00 0.00 C ATOM 567 O GLY A 34 -12.145 -4.077 8.174 1.00 0.00 O ATOM 0 H GLY A 34 -14.640 -0.555 8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.088 -2.541 9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.625 -3.327 8.242 1.00 0.00 H new ATOM 571 N ALA A 35 -11.670 -1.930 8.135 1.00 0.00 N ATOM 572 CA ALA A 35 -10.245 -2.199 7.793 1.00 0.00 C ATOM 573 C ALA A 35 -9.323 -1.774 8.938 1.00 0.00 C ATOM 574 O ALA A 35 -9.536 -0.763 9.579 1.00 0.00 O ATOM 575 CB ALA A 35 -9.973 -1.355 6.548 1.00 0.00 C ATOM 0 H ALA A 35 -11.915 -0.944 8.226 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.060 -3.259 7.622 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.940 -1.497 6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.645 -1.662 5.746 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.140 -0.303 6.778 1.00 0.00 H new ATOM 581 N ARG A 36 -8.290 -2.530 9.188 1.00 0.00 N ATOM 582 CA ARG A 36 -7.340 -2.165 10.275 1.00 0.00 C ATOM 583 C ARG A 36 -6.008 -1.748 9.657 1.00 0.00 C ATOM 584 O ARG A 36 -5.543 -2.340 8.703 1.00 0.00 O ATOM 585 CB ARG A 36 -7.152 -3.421 11.120 1.00 0.00 C ATOM 586 CG ARG A 36 -8.458 -4.219 11.186 1.00 0.00 C ATOM 587 CD ARG A 36 -8.394 -5.214 12.348 1.00 0.00 C ATOM 588 NE ARG A 36 -9.702 -5.071 13.046 1.00 0.00 N ATOM 589 CZ ARG A 36 -10.092 -5.981 13.895 1.00 0.00 C ATOM 590 NH1 ARG A 36 -9.210 -6.655 14.583 1.00 0.00 N ATOM 591 NH2 ARG A 36 -11.365 -6.220 14.057 1.00 0.00 N ATOM 0 H ARG A 36 -8.063 -3.387 8.684 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.712 -1.338 10.879 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.362 -4.039 10.694 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.835 -3.146 12.126 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.303 -3.543 11.319 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.619 -4.750 10.248 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.247 -6.232 11.989 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.563 -4.989 13.016 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.293 -4.261 12.860 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.215 -6.470 14.457 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.516 -7.366 15.247 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.055 -5.695 13.520 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.670 -6.932 14.721 1.00 0.00 H new ATOM 605 N VAL A 37 -5.400 -0.734 10.183 1.00 0.00 N ATOM 606 CA VAL A 37 -4.100 -0.272 9.619 1.00 0.00 C ATOM 607 C VAL A 37 -2.942 -1.047 10.246 1.00 0.00 C ATOM 608 O VAL A 37 -2.709 -0.981 11.436 1.00 0.00 O ATOM 609 CB VAL A 37 -4.016 1.210 9.984 1.00 0.00 C ATOM 610 CG1 VAL A 37 -2.645 1.759 9.589 1.00 0.00 C ATOM 611 CG2 VAL A 37 -5.109 1.978 9.237 1.00 0.00 C ATOM 0 H VAL A 37 -5.742 -0.199 10.981 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.038 -0.432 8.543 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.155 1.328 11.059 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.587 2.816 9.850 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.867 1.211 10.120 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.502 1.642 8.515 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.052 3.035 9.495 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.968 1.859 8.163 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.086 1.588 9.520 1.00 0.00 H new ATOM 621 N GLU A 38 -2.209 -1.773 9.449 1.00 0.00 N ATOM 622 CA GLU A 38 -1.059 -2.544 9.996 1.00 0.00 C ATOM 623 C GLU A 38 0.222 -1.717 9.865 1.00 0.00 C ATOM 624 O GLU A 38 1.141 -1.846 10.649 1.00 0.00 O ATOM 625 CB GLU A 38 -0.977 -3.804 9.133 1.00 0.00 C ATOM 626 CG GLU A 38 -1.114 -5.042 10.022 1.00 0.00 C ATOM 627 CD GLU A 38 -2.573 -5.501 10.039 1.00 0.00 C ATOM 628 OE1 GLU A 38 -3.405 -4.747 10.517 1.00 0.00 O ATOM 629 OE2 GLU A 38 -2.834 -6.598 9.576 1.00 0.00 O ATOM 0 H GLU A 38 -2.356 -1.866 8.444 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.182 -2.787 11.051 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.766 -3.794 8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.027 -3.830 8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.475 -5.842 9.650 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.782 -4.814 11.035 1.00 0.00 H new ATOM 636 N LYS A 39 0.281 -0.864 8.880 1.00 0.00 N ATOM 637 CA LYS A 39 1.497 -0.019 8.692 1.00 0.00 C ATOM 638 C LYS A 39 1.184 1.166 7.774 1.00 0.00 C ATOM 639 O LYS A 39 0.616 1.009 6.712 1.00 0.00 O ATOM 640 CB LYS A 39 2.524 -0.944 8.039 1.00 0.00 C ATOM 641 CG LYS A 39 3.563 -1.366 9.079 1.00 0.00 C ATOM 642 CD LYS A 39 3.260 -2.788 9.552 1.00 0.00 C ATOM 643 CE LYS A 39 4.451 -3.697 9.238 1.00 0.00 C ATOM 644 NZ LYS A 39 4.087 -4.385 7.970 1.00 0.00 N ATOM 0 H LYS A 39 -0.460 -0.714 8.196 1.00 0.00 H new ATOM 0 HA LYS A 39 1.860 0.396 9.632 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.028 -1.823 7.627 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.012 -0.435 7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.564 -1.319 8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.547 -0.679 9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.060 -2.791 10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.363 -3.163 9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.369 -3.120 9.124 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.623 -4.414 10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.804 -5.364 8.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.296 -3.883 7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.906 -4.389 7.330 1.00 0.00 H new ATOM 658 N VAL A 40 1.555 2.352 8.176 1.00 0.00 N ATOM 659 CA VAL A 40 1.284 3.550 7.327 1.00 0.00 C ATOM 660 C VAL A 40 2.605 4.166 6.860 1.00 0.00 C ATOM 661 O VAL A 40 3.388 4.654 7.650 1.00 0.00 O ATOM 662 CB VAL A 40 0.525 4.521 8.236 1.00 0.00 C ATOM 663 CG1 VAL A 40 1.187 4.561 9.615 1.00 0.00 C ATOM 664 CG2 VAL A 40 0.552 5.923 7.622 1.00 0.00 C ATOM 0 H VAL A 40 2.034 2.544 9.056 1.00 0.00 H new ATOM 0 HA VAL A 40 0.711 3.306 6.433 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.507 4.185 8.338 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.644 5.253 10.259 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.169 3.564 10.056 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.220 4.894 9.513 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.012 6.614 8.269 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.585 6.255 7.519 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.078 5.900 6.641 1.00 0.00 H new ATOM 674 N GLU A 41 2.861 4.144 5.580 1.00 0.00 N ATOM 675 CA GLU A 41 4.133 4.725 5.064 1.00 0.00 C ATOM 676 C GLU A 41 3.876 6.096 4.437 1.00 0.00 C ATOM 677 O GLU A 41 3.174 6.218 3.452 1.00 0.00 O ATOM 678 CB GLU A 41 4.617 3.733 4.006 1.00 0.00 C ATOM 679 CG GLU A 41 6.123 3.905 3.799 1.00 0.00 C ATOM 680 CD GLU A 41 6.868 3.407 5.039 1.00 0.00 C ATOM 681 OE1 GLU A 41 6.898 4.133 6.019 1.00 0.00 O ATOM 682 OE2 GLU A 41 7.396 2.308 4.987 1.00 0.00 O ATOM 0 H GLU A 41 2.245 3.749 4.870 1.00 0.00 H new ATOM 0 HA GLU A 41 4.869 4.873 5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.396 2.713 4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.088 3.899 3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.446 3.348 2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.359 4.954 3.617 1.00 0.00 H new ATOM 689 N GLU A 42 4.440 7.130 4.998 1.00 0.00 N ATOM 690 CA GLU A 42 4.231 8.495 4.432 1.00 0.00 C ATOM 691 C GLU A 42 5.192 8.731 3.264 1.00 0.00 C ATOM 692 O GLU A 42 6.396 8.740 3.431 1.00 0.00 O ATOM 693 CB GLU A 42 4.540 9.452 5.584 1.00 0.00 C ATOM 694 CG GLU A 42 3.412 9.394 6.616 1.00 0.00 C ATOM 695 CD GLU A 42 2.734 10.761 6.708 1.00 0.00 C ATOM 696 OE1 GLU A 42 3.435 11.756 6.612 1.00 0.00 O ATOM 697 OE2 GLU A 42 1.526 10.792 6.874 1.00 0.00 O ATOM 0 H GLU A 42 5.037 7.090 5.824 1.00 0.00 H new ATOM 0 HA GLU A 42 3.221 8.635 4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.487 9.182 6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.649 10.469 5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.684 8.634 6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.810 9.107 7.589 1.00 0.00 H new ATOM 704 N LEU A 43 4.672 8.922 2.082 1.00 0.00 N ATOM 705 CA LEU A 43 5.560 9.156 0.906 1.00 0.00 C ATOM 706 C LEU A 43 6.005 10.619 0.861 1.00 0.00 C ATOM 707 O LEU A 43 7.140 10.944 1.149 1.00 0.00 O ATOM 708 CB LEU A 43 4.701 8.826 -0.314 1.00 0.00 C ATOM 709 CG LEU A 43 4.660 7.313 -0.515 1.00 0.00 C ATOM 710 CD1 LEU A 43 6.062 6.805 -0.860 1.00 0.00 C ATOM 711 CD2 LEU A 43 4.178 6.642 0.773 1.00 0.00 C ATOM 0 H LEU A 43 3.672 8.926 1.879 1.00 0.00 H new ATOM 0 HA LEU A 43 6.463 8.548 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.691 9.213 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.109 9.310 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 43 3.976 7.073 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.033 5.725 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.407 7.284 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.746 7.044 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.148 5.562 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.862 6.882 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.180 7.003 1.020 1.00 0.00 H new ATOM 723 N GLY A 44 5.119 11.505 0.499 1.00 0.00 N ATOM 724 CA GLY A 44 5.491 12.944 0.432 1.00 0.00 C ATOM 725 C GLY A 44 6.132 13.241 -0.924 1.00 0.00 C ATOM 726 O GLY A 44 7.240 13.734 -1.003 1.00 0.00 O ATOM 0 H GLY A 44 4.154 11.294 0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.607 13.566 0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.185 13.189 1.236 1.00 0.00 H new ATOM 730 N LEU A 45 5.446 12.948 -1.996 1.00 0.00 N ATOM 731 CA LEU A 45 6.031 13.222 -3.343 1.00 0.00 C ATOM 732 C LEU A 45 6.653 14.618 -3.351 1.00 0.00 C ATOM 733 O LEU A 45 7.858 14.773 -3.364 1.00 0.00 O ATOM 734 CB LEU A 45 4.869 13.150 -4.345 1.00 0.00 C ATOM 735 CG LEU A 45 3.987 11.931 -4.059 1.00 0.00 C ATOM 736 CD1 LEU A 45 3.116 11.632 -5.281 1.00 0.00 C ATOM 737 CD2 LEU A 45 4.868 10.716 -3.756 1.00 0.00 C ATOM 0 H LEU A 45 4.514 12.534 -2.000 1.00 0.00 H new ATOM 0 HA LEU A 45 6.810 12.504 -3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.272 14.060 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.260 13.093 -5.361 1.00 0.00 H new ATOM 0 HG LEU A 45 3.351 12.142 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.488 10.764 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.485 12.494 -5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.754 11.425 -6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.237 9.851 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.506 10.506 -4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.489 10.925 -2.885 1.00 0.00 H new ATOM 749 N ARG A 46 5.839 15.637 -3.335 1.00 0.00 N ATOM 750 CA ARG A 46 6.386 17.024 -3.333 1.00 0.00 C ATOM 751 C ARG A 46 5.353 18.002 -2.771 1.00 0.00 C ATOM 752 O ARG A 46 4.279 17.616 -2.354 1.00 0.00 O ATOM 753 CB ARG A 46 6.685 17.337 -4.799 1.00 0.00 C ATOM 754 CG ARG A 46 8.163 17.699 -4.949 1.00 0.00 C ATOM 755 CD ARG A 46 8.887 16.587 -5.712 1.00 0.00 C ATOM 756 NE ARG A 46 10.146 17.213 -6.207 1.00 0.00 N ATOM 757 CZ ARG A 46 11.247 16.514 -6.256 1.00 0.00 C ATOM 758 NH1 ARG A 46 11.371 15.551 -7.128 1.00 0.00 N ATOM 759 NH2 ARG A 46 12.226 16.776 -5.434 1.00 0.00 N ATOM 0 H ARG A 46 4.821 15.570 -3.323 1.00 0.00 H new ATOM 0 HA ARG A 46 7.276 17.114 -2.710 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.445 16.476 -5.423 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.060 18.162 -5.141 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.264 18.645 -5.481 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.616 17.835 -3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.098 15.737 -5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.280 16.216 -6.538 1.00 0.00 H new ATOM 0 HE ARG A 46 10.147 18.188 -6.507 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.607 15.344 -7.772 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.232 15.005 -7.166 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.132 17.528 -4.752 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.086 16.229 -5.474 1.00 0.00 H new ATOM 773 N ARG A 47 5.670 19.268 -2.762 1.00 0.00 N ATOM 774 CA ARG A 47 4.707 20.274 -2.232 1.00 0.00 C ATOM 775 C ARG A 47 5.167 21.687 -2.600 1.00 0.00 C ATOM 776 O ARG A 47 6.173 22.168 -2.120 1.00 0.00 O ATOM 777 CB ARG A 47 4.722 20.082 -0.716 1.00 0.00 C ATOM 778 CG ARG A 47 6.164 20.123 -0.206 1.00 0.00 C ATOM 779 CD ARG A 47 6.263 21.104 0.965 1.00 0.00 C ATOM 780 NE ARG A 47 7.399 20.607 1.789 1.00 0.00 N ATOM 781 CZ ARG A 47 7.506 20.971 3.037 1.00 0.00 C ATOM 782 NH1 ARG A 47 6.765 20.403 3.949 1.00 0.00 N ATOM 783 NH2 ARG A 47 8.356 21.902 3.374 1.00 0.00 N ATOM 0 H ARG A 47 6.554 19.649 -3.099 1.00 0.00 H new ATOM 0 HA ARG A 47 3.707 20.146 -2.646 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.133 20.863 -0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.261 19.129 -0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.477 19.128 0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.836 20.428 -1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.445 22.120 0.614 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.338 21.126 1.541 1.00 0.00 H new ATOM 0 HE ARG A 47 8.093 19.982 1.378 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.102 19.674 3.686 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.849 20.688 4.925 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.936 22.345 2.662 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.440 22.187 4.350 1.00 0.00 H new ATOM 797 N LEU A 48 4.436 22.356 -3.449 1.00 0.00 N ATOM 798 CA LEU A 48 4.832 23.737 -3.846 1.00 0.00 C ATOM 799 C LEU A 48 4.333 24.745 -2.806 1.00 0.00 C ATOM 800 O LEU A 48 3.147 24.901 -2.598 1.00 0.00 O ATOM 801 CB LEU A 48 4.149 23.971 -5.194 1.00 0.00 C ATOM 802 CG LEU A 48 2.633 23.986 -5.003 1.00 0.00 C ATOM 803 CD1 LEU A 48 2.128 25.428 -5.060 1.00 0.00 C ATOM 804 CD2 LEU A 48 1.972 23.169 -6.116 1.00 0.00 C ATOM 0 H LEU A 48 3.582 22.007 -3.885 1.00 0.00 H new ATOM 0 HA LEU A 48 5.913 23.857 -3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.481 24.917 -5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.430 23.186 -5.897 1.00 0.00 H new ATOM 0 HG LEU A 48 2.383 23.551 -4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.047 25.440 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.600 26.010 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.377 25.863 -6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.890 23.179 -5.981 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.221 23.604 -7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.333 22.141 -6.077 1.00 0.00 H new ATOM 816 N ALA A 49 5.232 25.429 -2.148 1.00 0.00 N ATOM 817 CA ALA A 49 4.808 26.423 -1.119 1.00 0.00 C ATOM 818 C ALA A 49 4.610 27.801 -1.756 1.00 0.00 C ATOM 819 O ALA A 49 4.993 28.036 -2.885 1.00 0.00 O ATOM 820 CB ALA A 49 5.957 26.460 -0.111 1.00 0.00 C ATOM 0 H ALA A 49 6.240 25.342 -2.279 1.00 0.00 H new ATOM 0 HA ALA A 49 3.861 26.153 -0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.723 27.170 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.095 25.468 0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.873 26.768 -0.615 1.00 0.00 H new ATOM 826 N TYR A 50 4.015 28.717 -1.038 1.00 0.00 N ATOM 827 CA TYR A 50 3.796 30.079 -1.598 1.00 0.00 C ATOM 828 C TYR A 50 5.058 30.562 -2.317 1.00 0.00 C ATOM 829 O TYR A 50 5.033 30.837 -3.500 1.00 0.00 O ATOM 830 CB TYR A 50 3.502 30.964 -0.386 1.00 0.00 C ATOM 831 CG TYR A 50 2.009 31.098 -0.209 1.00 0.00 C ATOM 832 CD1 TYR A 50 1.234 29.969 0.078 1.00 0.00 C ATOM 833 CD2 TYR A 50 1.400 32.354 -0.328 1.00 0.00 C ATOM 834 CE1 TYR A 50 -0.151 30.094 0.244 1.00 0.00 C ATOM 835 CE2 TYR A 50 0.017 32.479 -0.161 1.00 0.00 C ATOM 836 CZ TYR A 50 -0.759 31.350 0.125 1.00 0.00 C ATOM 837 OH TYR A 50 -2.124 31.474 0.289 1.00 0.00 O ATOM 0 H TYR A 50 3.672 28.579 -0.088 1.00 0.00 H new ATOM 0 HA TYR A 50 2.985 30.100 -2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.947 30.531 0.510 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.952 31.947 -0.523 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.704 29.001 0.172 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.998 33.226 -0.549 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.750 29.222 0.464 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.452 33.447 -0.253 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.383 32.412 0.175 1.00 0.00 H new ATOM 847 N PRO A 51 6.126 30.646 -1.569 1.00 0.00 N ATOM 848 CA PRO A 51 7.422 31.098 -2.132 1.00 0.00 C ATOM 849 C PRO A 51 7.950 30.081 -3.145 1.00 0.00 C ATOM 850 O PRO A 51 7.673 28.904 -3.038 1.00 0.00 O ATOM 851 CB PRO A 51 8.332 31.194 -0.909 1.00 0.00 C ATOM 852 CG PRO A 51 7.721 30.268 0.089 1.00 0.00 C ATOM 853 CD PRO A 51 6.235 30.320 -0.142 1.00 0.00 C ATOM 0 HA PRO A 51 7.352 32.043 -2.671 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.353 30.899 -1.151 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.377 32.214 -0.528 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.099 29.254 -0.039 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.968 30.574 1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.758 29.368 0.091 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.757 31.076 0.481 1.00 0.00 H new ATOM 861 N ILE A 52 8.700 30.549 -4.118 1.00 0.00 N ATOM 862 CA ILE A 52 9.282 29.666 -5.182 1.00 0.00 C ATOM 863 C ILE A 52 9.049 28.174 -4.901 1.00 0.00 C ATOM 864 O ILE A 52 9.442 27.652 -3.877 1.00 0.00 O ATOM 865 CB ILE A 52 10.780 30.013 -5.177 1.00 0.00 C ATOM 866 CG1 ILE A 52 11.294 30.021 -6.615 1.00 0.00 C ATOM 867 CG2 ILE A 52 11.577 28.994 -4.352 1.00 0.00 C ATOM 868 CD1 ILE A 52 10.866 28.732 -7.316 1.00 0.00 C ATOM 0 H ILE A 52 8.939 31.535 -4.220 1.00 0.00 H new ATOM 0 HA ILE A 52 8.812 29.836 -6.151 1.00 0.00 H new ATOM 0 HB ILE A 52 10.911 30.996 -4.725 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.900 30.886 -7.149 1.00 0.00 H new ATOM 0 HG13 ILE A 52 12.380 30.109 -6.624 1.00 0.00 H new ATOM 0 HG21 ILE A 52 12.633 29.262 -4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.215 28.995 -3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 52 11.450 28.000 -4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.233 28.737 -8.343 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.282 27.875 -6.787 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.778 28.664 -7.320 1.00 0.00 H new ATOM 880 N ALA A 53 8.414 27.485 -5.808 1.00 0.00 N ATOM 881 CA ALA A 53 8.158 26.033 -5.595 1.00 0.00 C ATOM 882 C ALA A 53 7.519 25.424 -6.844 1.00 0.00 C ATOM 883 O ALA A 53 6.513 24.744 -6.771 1.00 0.00 O ATOM 884 CB ALA A 53 7.192 25.973 -4.413 1.00 0.00 C ATOM 0 H ALA A 53 8.061 27.864 -6.687 1.00 0.00 H new ATOM 0 HA ALA A 53 9.073 25.473 -5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.952 24.933 -4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.656 26.432 -3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.277 26.511 -4.663 1.00 0.00 H new ATOM 890 N LYS A 54 8.094 25.659 -7.992 1.00 0.00 N ATOM 891 CA LYS A 54 7.528 25.097 -9.243 1.00 0.00 C ATOM 892 C LYS A 54 7.773 23.583 -9.289 1.00 0.00 C ATOM 893 O LYS A 54 8.395 23.063 -10.193 1.00 0.00 O ATOM 894 CB LYS A 54 8.291 25.827 -10.350 1.00 0.00 C ATOM 895 CG LYS A 54 8.112 25.092 -11.670 1.00 0.00 C ATOM 896 CD LYS A 54 7.739 26.091 -12.767 1.00 0.00 C ATOM 897 CE LYS A 54 8.419 25.689 -14.076 1.00 0.00 C ATOM 898 NZ LYS A 54 8.039 26.753 -15.045 1.00 0.00 N ATOM 0 H LYS A 54 8.937 26.220 -8.114 1.00 0.00 H new ATOM 0 HA LYS A 54 6.450 25.232 -9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.927 26.851 -10.441 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.350 25.886 -10.097 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.032 24.571 -11.936 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.334 24.335 -11.574 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.657 26.115 -12.899 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.047 27.096 -12.478 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.501 25.630 -13.958 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.081 24.709 -14.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.468 26.549 -15.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.004 26.781 -15.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.380 27.673 -14.701 1.00 0.00 H new ATOM 912 N ASP A 55 7.291 22.871 -8.307 1.00 0.00 N ATOM 913 CA ASP A 55 7.496 21.394 -8.283 1.00 0.00 C ATOM 914 C ASP A 55 6.157 20.667 -8.430 1.00 0.00 C ATOM 915 O ASP A 55 5.109 21.246 -8.226 1.00 0.00 O ATOM 916 CB ASP A 55 8.115 21.107 -6.915 1.00 0.00 C ATOM 917 CG ASP A 55 9.589 21.511 -6.928 1.00 0.00 C ATOM 918 OD1 ASP A 55 10.214 21.366 -7.965 1.00 0.00 O ATOM 919 OD2 ASP A 55 10.069 21.962 -5.900 1.00 0.00 O ATOM 0 H ASP A 55 6.764 23.248 -7.520 1.00 0.00 H new ATOM 0 HA ASP A 55 8.130 21.052 -9.101 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.583 21.658 -6.140 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.019 20.048 -6.676 1.00 0.00 H new ATOM 924 N PRO A 56 6.243 19.411 -8.777 1.00 0.00 N ATOM 925 CA PRO A 56 5.027 18.581 -8.950 1.00 0.00 C ATOM 926 C PRO A 56 4.427 18.230 -7.586 1.00 0.00 C ATOM 927 O PRO A 56 4.899 17.345 -6.899 1.00 0.00 O ATOM 928 CB PRO A 56 5.545 17.330 -9.653 1.00 0.00 C ATOM 929 CG PRO A 56 6.993 17.246 -9.280 1.00 0.00 C ATOM 930 CD PRO A 56 7.473 18.655 -9.039 1.00 0.00 C ATOM 0 HA PRO A 56 4.239 19.083 -9.511 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.002 16.442 -9.329 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.420 17.404 -10.733 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.125 16.636 -8.386 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.569 16.774 -10.076 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.159 18.704 -8.193 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.006 19.048 -9.905 1.00 0.00 H new ATOM 938 N GLN A 57 3.391 18.915 -7.186 1.00 0.00 N ATOM 939 CA GLN A 57 2.766 18.618 -5.863 1.00 0.00 C ATOM 940 C GLN A 57 1.991 17.299 -5.929 1.00 0.00 C ATOM 941 O GLN A 57 1.081 17.144 -6.720 1.00 0.00 O ATOM 942 CB GLN A 57 1.811 19.784 -5.598 1.00 0.00 C ATOM 943 CG GLN A 57 0.938 20.021 -6.832 1.00 0.00 C ATOM 944 CD GLN A 57 -0.532 20.098 -6.415 1.00 0.00 C ATOM 945 OE1 GLN A 57 -0.979 21.107 -5.907 1.00 0.00 O ATOM 946 NE2 GLN A 57 -1.308 19.068 -6.612 1.00 0.00 N ATOM 0 H GLN A 57 2.950 19.667 -7.716 1.00 0.00 H new ATOM 0 HA GLN A 57 3.510 18.514 -5.073 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.185 19.565 -4.733 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.377 20.685 -5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.235 20.946 -7.327 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.081 19.214 -7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.933 18.221 -7.039 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.290 19.110 -6.340 1.00 0.00 H new ATOM 955 N GLY A 58 2.343 16.348 -5.108 1.00 0.00 N ATOM 956 CA GLY A 58 1.622 15.042 -5.132 1.00 0.00 C ATOM 957 C GLY A 58 1.684 14.387 -3.751 1.00 0.00 C ATOM 958 O GLY A 58 2.652 14.525 -3.028 1.00 0.00 O ATOM 0 H GLY A 58 3.096 16.417 -4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.583 15.196 -5.425 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.069 14.384 -5.877 1.00 0.00 H new ATOM 962 N TYR A 59 0.659 13.671 -3.383 1.00 0.00 N ATOM 963 CA TYR A 59 0.656 12.998 -2.052 1.00 0.00 C ATOM 964 C TYR A 59 0.171 11.552 -2.196 1.00 0.00 C ATOM 965 O TYR A 59 -0.967 11.300 -2.539 1.00 0.00 O ATOM 966 CB TYR A 59 -0.319 13.812 -1.201 1.00 0.00 C ATOM 967 CG TYR A 59 -0.581 13.090 0.100 1.00 0.00 C ATOM 968 CD1 TYR A 59 0.484 12.525 0.813 1.00 0.00 C ATOM 969 CD2 TYR A 59 -1.888 12.985 0.591 1.00 0.00 C ATOM 970 CE1 TYR A 59 0.241 11.857 2.018 1.00 0.00 C ATOM 971 CE2 TYR A 59 -2.130 12.314 1.796 1.00 0.00 C ATOM 972 CZ TYR A 59 -1.066 11.750 2.510 1.00 0.00 C ATOM 973 OH TYR A 59 -1.306 11.091 3.697 1.00 0.00 O ATOM 0 H TYR A 59 -0.178 13.522 -3.946 1.00 0.00 H new ATOM 0 HA TYR A 59 1.649 12.957 -1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.094 14.801 -1.003 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.254 13.959 -1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.492 12.605 0.433 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.709 13.421 0.041 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.062 11.423 2.569 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.138 12.232 2.175 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.266 11.110 3.893 1.00 0.00 H new ATOM 983 N PHE A 60 1.025 10.599 -1.936 1.00 0.00 N ATOM 984 CA PHE A 60 0.610 9.171 -2.056 1.00 0.00 C ATOM 985 C PHE A 60 0.545 8.531 -0.666 1.00 0.00 C ATOM 986 O PHE A 60 1.480 8.608 0.105 1.00 0.00 O ATOM 987 CB PHE A 60 1.700 8.509 -2.903 1.00 0.00 C ATOM 988 CG PHE A 60 1.527 7.008 -2.869 1.00 0.00 C ATOM 989 CD1 PHE A 60 0.259 6.453 -2.655 1.00 0.00 C ATOM 990 CD2 PHE A 60 2.635 6.171 -3.052 1.00 0.00 C ATOM 991 CE1 PHE A 60 0.099 5.063 -2.623 1.00 0.00 C ATOM 992 CE2 PHE A 60 2.474 4.780 -3.021 1.00 0.00 C ATOM 993 CZ PHE A 60 1.206 4.226 -2.807 1.00 0.00 C ATOM 0 H PHE A 60 1.992 10.747 -1.646 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.376 9.060 -2.508 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.645 8.868 -3.931 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.685 8.780 -2.523 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.596 7.098 -2.515 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.613 6.598 -3.217 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.879 4.636 -2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.328 4.134 -3.162 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.082 3.153 -2.784 1.00 0.00 H new ATOM 1003 N LEU A 61 -0.554 7.909 -0.334 1.00 0.00 N ATOM 1004 CA LEU A 61 -0.670 7.280 1.013 1.00 0.00 C ATOM 1005 C LEU A 61 -0.571 5.755 0.916 1.00 0.00 C ATOM 1006 O LEU A 61 -1.242 5.124 0.123 1.00 0.00 O ATOM 1007 CB LEU A 61 -2.046 7.700 1.533 1.00 0.00 C ATOM 1008 CG LEU A 61 -3.123 7.317 0.516 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -4.332 6.735 1.250 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -3.552 8.563 -0.264 1.00 0.00 C ATOM 0 H LEU A 61 -1.373 7.809 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 61 0.133 7.598 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.247 7.216 2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.066 8.775 1.710 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.724 6.574 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.100 6.462 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.027 5.849 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.731 7.479 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.319 8.292 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.952 9.305 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.691 8.980 -0.786 1.00 0.00 H new ATOM 1022 N TRP A 62 0.257 5.161 1.731 1.00 0.00 N ATOM 1023 CA TRP A 62 0.406 3.677 1.712 1.00 0.00 C ATOM 1024 C TRP A 62 -0.108 3.101 3.034 1.00 0.00 C ATOM 1025 O TRP A 62 0.326 3.496 4.098 1.00 0.00 O ATOM 1026 CB TRP A 62 1.907 3.432 1.569 1.00 0.00 C ATOM 1027 CG TRP A 62 2.141 2.228 0.716 1.00 0.00 C ATOM 1028 CD1 TRP A 62 1.533 1.985 -0.468 1.00 0.00 C ATOM 1029 CD2 TRP A 62 3.035 1.102 0.957 1.00 0.00 C ATOM 1030 NE1 TRP A 62 1.998 0.783 -0.971 1.00 0.00 N ATOM 1031 CE2 TRP A 62 2.925 0.200 -0.128 1.00 0.00 C ATOM 1032 CE3 TRP A 62 3.922 0.780 1.998 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 3.669 -0.980 -0.177 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 4.671 -0.407 1.954 1.00 0.00 C ATOM 1035 CH2 TRP A 62 4.546 -1.285 0.869 1.00 0.00 C ATOM 0 H TRP A 62 0.841 5.643 2.414 1.00 0.00 H new ATOM 0 HA TRP A 62 -0.157 3.205 0.907 1.00 0.00 H new ATOM 0 HB2 TRP A 62 2.387 4.304 1.124 1.00 0.00 H new ATOM 0 HB3 TRP A 62 2.357 3.287 2.551 1.00 0.00 H new ATOM 0 HD1 TRP A 62 0.804 2.625 -0.943 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.694 0.377 -1.856 1.00 0.00 H new ATOM 0 HE3 TRP A 62 4.029 1.450 2.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.568 -1.652 -1.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.348 -0.645 2.761 1.00 0.00 H new ATOM 0 HH2 TRP A 62 5.126 -2.196 0.841 1.00 0.00 H new ATOM 1046 N TYR A 63 -1.034 2.183 2.986 1.00 0.00 N ATOM 1047 CA TYR A 63 -1.565 1.615 4.254 1.00 0.00 C ATOM 1048 C TYR A 63 -1.698 0.094 4.158 1.00 0.00 C ATOM 1049 O TYR A 63 -2.158 -0.439 3.167 1.00 0.00 O ATOM 1050 CB TYR A 63 -2.947 2.252 4.416 1.00 0.00 C ATOM 1051 CG TYR A 63 -2.826 3.558 5.164 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -2.225 4.664 4.553 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -3.322 3.663 6.470 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -2.120 5.877 5.246 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -3.216 4.875 7.164 1.00 0.00 C ATOM 1056 CZ TYR A 63 -2.615 5.981 6.551 1.00 0.00 C ATOM 1057 OH TYR A 63 -2.513 7.177 7.234 1.00 0.00 O ATOM 0 H TYR A 63 -1.442 1.805 2.131 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.905 1.819 5.097 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.395 2.424 3.437 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.609 1.574 4.955 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.842 4.583 3.547 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.786 2.809 6.942 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.658 6.731 4.774 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.598 4.956 8.171 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.906 7.079 8.126 1.00 0.00 H new ATOM 1067 N GLN A 64 -1.326 -0.607 5.194 1.00 0.00 N ATOM 1068 CA GLN A 64 -1.466 -2.088 5.172 1.00 0.00 C ATOM 1069 C GLN A 64 -2.812 -2.438 5.803 1.00 0.00 C ATOM 1070 O GLN A 64 -3.092 -2.075 6.929 1.00 0.00 O ATOM 1071 CB GLN A 64 -0.302 -2.623 6.011 1.00 0.00 C ATOM 1072 CG GLN A 64 1.007 -2.431 5.244 1.00 0.00 C ATOM 1073 CD GLN A 64 1.676 -3.790 5.024 1.00 0.00 C ATOM 1074 OE1 GLN A 64 2.128 -4.416 5.962 1.00 0.00 O ATOM 1075 NE2 GLN A 64 1.760 -4.275 3.816 1.00 0.00 N ATOM 0 H GLN A 64 -0.933 -0.219 6.051 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.438 -2.516 4.170 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.257 -2.100 6.966 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.455 -3.679 6.233 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.812 -1.951 4.285 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.673 -1.772 5.801 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.381 -3.750 3.028 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.205 -5.179 3.659 1.00 0.00 H new ATOM 1084 N VAL A 65 -3.671 -3.089 5.073 1.00 0.00 N ATOM 1085 CA VAL A 65 -5.021 -3.391 5.618 1.00 0.00 C ATOM 1086 C VAL A 65 -5.319 -4.891 5.631 1.00 0.00 C ATOM 1087 O VAL A 65 -4.559 -5.700 5.138 1.00 0.00 O ATOM 1088 CB VAL A 65 -5.952 -2.682 4.643 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -5.554 -1.215 4.540 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -5.813 -3.322 3.263 1.00 0.00 C ATOM 0 H VAL A 65 -3.498 -3.424 4.125 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.127 -3.067 6.653 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.980 -2.766 4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.219 -0.706 3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.631 -0.747 5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.527 -1.141 4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.477 -2.819 2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.783 -3.227 2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.080 -4.377 3.323 1.00 0.00 H new ATOM 1100 N GLU A 66 -6.443 -5.253 6.186 1.00 0.00 N ATOM 1101 CA GLU A 66 -6.848 -6.686 6.237 1.00 0.00 C ATOM 1102 C GLU A 66 -8.358 -6.780 6.000 1.00 0.00 C ATOM 1103 O GLU A 66 -9.139 -6.875 6.925 1.00 0.00 O ATOM 1104 CB GLU A 66 -6.492 -7.160 7.646 1.00 0.00 C ATOM 1105 CG GLU A 66 -6.957 -8.606 7.823 1.00 0.00 C ATOM 1106 CD GLU A 66 -5.743 -9.512 8.048 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -4.811 -9.424 7.266 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -5.768 -10.277 8.998 1.00 0.00 O ATOM 0 H GLU A 66 -7.107 -4.607 6.612 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.352 -7.295 5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.416 -7.089 7.805 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.967 -6.519 8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.639 -8.678 8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.508 -8.932 6.941 1.00 0.00 H new ATOM 1115 N MET A 67 -8.770 -6.731 4.764 1.00 0.00 N ATOM 1116 CA MET A 67 -10.230 -6.789 4.453 1.00 0.00 C ATOM 1117 C MET A 67 -10.526 -7.904 3.448 1.00 0.00 C ATOM 1118 O MET A 67 -9.654 -8.329 2.716 1.00 0.00 O ATOM 1119 CB MET A 67 -10.557 -5.425 3.844 1.00 0.00 C ATOM 1120 CG MET A 67 -9.672 -5.190 2.619 1.00 0.00 C ATOM 1121 SD MET A 67 -10.415 -3.913 1.575 1.00 0.00 S ATOM 1122 CE MET A 67 -9.454 -2.518 2.209 1.00 0.00 C ATOM 0 H MET A 67 -8.158 -6.653 3.952 1.00 0.00 H new ATOM 0 HA MET A 67 -10.827 -7.001 5.340 1.00 0.00 H new ATOM 0 HB2 MET A 67 -11.609 -5.384 3.560 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.395 -4.638 4.580 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.674 -4.884 2.932 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.560 -6.116 2.055 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.893 -1.584 1.857 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.463 -2.535 3.299 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.426 -2.593 1.854 1.00 0.00 H new ATOM 1132 N PRO A 68 -11.756 -8.341 3.450 1.00 0.00 N ATOM 1133 CA PRO A 68 -12.184 -9.420 2.526 1.00 0.00 C ATOM 1134 C PRO A 68 -12.215 -8.903 1.085 1.00 0.00 C ATOM 1135 O PRO A 68 -12.277 -7.713 0.843 1.00 0.00 O ATOM 1136 CB PRO A 68 -13.584 -9.780 3.017 1.00 0.00 C ATOM 1137 CG PRO A 68 -14.072 -8.554 3.719 1.00 0.00 C ATOM 1138 CD PRO A 68 -12.859 -7.873 4.298 1.00 0.00 C ATOM 0 HA PRO A 68 -11.512 -10.278 2.523 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.238 -10.046 2.186 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.558 -10.637 3.690 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.593 -7.893 3.026 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.781 -8.815 4.505 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.956 -6.788 4.265 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.706 -8.148 5.342 1.00 0.00 H new ATOM 1146 N GLU A 69 -12.161 -9.787 0.127 1.00 0.00 N ATOM 1147 CA GLU A 69 -12.177 -9.348 -1.301 1.00 0.00 C ATOM 1148 C GLU A 69 -13.573 -8.869 -1.699 1.00 0.00 C ATOM 1149 O GLU A 69 -13.727 -7.988 -2.522 1.00 0.00 O ATOM 1150 CB GLU A 69 -11.790 -10.589 -2.110 1.00 0.00 C ATOM 1151 CG GLU A 69 -10.665 -11.343 -1.397 1.00 0.00 C ATOM 1152 CD GLU A 69 -9.840 -12.124 -2.422 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -9.383 -11.512 -3.374 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -9.681 -13.319 -2.239 1.00 0.00 O ATOM 0 H GLU A 69 -12.106 -10.796 0.269 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.494 -8.517 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.656 -11.240 -2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.468 -10.297 -3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.027 -10.641 -0.860 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.083 -12.025 -0.656 1.00 0.00 H new ATOM 1161 N ASP A 70 -14.594 -9.446 -1.129 1.00 0.00 N ATOM 1162 CA ASP A 70 -15.981 -9.026 -1.486 1.00 0.00 C ATOM 1163 C ASP A 70 -16.212 -7.563 -1.099 1.00 0.00 C ATOM 1164 O ASP A 70 -16.884 -6.826 -1.793 1.00 0.00 O ATOM 1165 CB ASP A 70 -16.897 -9.944 -0.676 1.00 0.00 C ATOM 1166 CG ASP A 70 -18.330 -9.824 -1.200 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -18.665 -10.548 -2.124 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -19.067 -9.008 -0.672 1.00 0.00 O ATOM 0 H ASP A 70 -14.530 -10.189 -0.433 1.00 0.00 H new ATOM 0 HA ASP A 70 -16.169 -9.103 -2.557 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.555 -10.976 -0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.860 -9.674 0.379 1.00 0.00 H new ATOM 1173 N ARG A 71 -15.666 -7.139 0.006 1.00 0.00 N ATOM 1174 CA ARG A 71 -15.860 -5.731 0.438 1.00 0.00 C ATOM 1175 C ARG A 71 -15.080 -4.778 -0.471 1.00 0.00 C ATOM 1176 O ARG A 71 -15.169 -3.574 -0.342 1.00 0.00 O ATOM 1177 CB ARG A 71 -15.319 -5.673 1.867 1.00 0.00 C ATOM 1178 CG ARG A 71 -16.429 -6.060 2.848 1.00 0.00 C ATOM 1179 CD ARG A 71 -16.733 -4.877 3.768 1.00 0.00 C ATOM 1180 NE ARG A 71 -17.743 -5.389 4.736 1.00 0.00 N ATOM 1181 CZ ARG A 71 -18.943 -4.876 4.760 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -19.859 -5.317 3.943 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -19.229 -3.922 5.605 1.00 0.00 N ATOM 0 H ARG A 71 -15.093 -7.709 0.628 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.906 -5.429 0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.472 -6.350 1.974 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.956 -4.670 2.089 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -17.327 -6.350 2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -16.122 -6.924 3.438 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.834 -4.535 4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.121 -4.029 3.204 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.497 -6.141 5.380 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.638 -6.064 3.284 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.796 -4.915 3.963 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.515 -3.578 6.246 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.167 -3.521 5.623 1.00 0.00 H new ATOM 1197 N VAL A 72 -14.313 -5.303 -1.387 1.00 0.00 N ATOM 1198 CA VAL A 72 -13.531 -4.415 -2.290 1.00 0.00 C ATOM 1199 C VAL A 72 -14.472 -3.532 -3.110 1.00 0.00 C ATOM 1200 O VAL A 72 -14.258 -2.344 -3.252 1.00 0.00 O ATOM 1201 CB VAL A 72 -12.743 -5.364 -3.194 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -13.667 -5.971 -4.252 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -11.625 -4.589 -3.884 1.00 0.00 C ATOM 0 H VAL A 72 -14.195 -6.303 -1.548 1.00 0.00 H new ATOM 0 HA VAL A 72 -12.872 -3.742 -1.742 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.320 -6.166 -2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.096 -6.645 -4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.467 -6.526 -3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -14.098 -5.175 -4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -11.061 -5.262 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -12.055 -3.787 -4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.960 -4.164 -3.133 1.00 0.00 H new ATOM 1213 N ASN A 73 -15.517 -4.099 -3.642 1.00 0.00 N ATOM 1214 CA ASN A 73 -16.474 -3.285 -4.442 1.00 0.00 C ATOM 1215 C ASN A 73 -17.171 -2.273 -3.531 1.00 0.00 C ATOM 1216 O ASN A 73 -17.492 -1.172 -3.934 1.00 0.00 O ATOM 1217 CB ASN A 73 -17.478 -4.294 -5.002 1.00 0.00 C ATOM 1218 CG ASN A 73 -18.373 -3.606 -6.035 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -17.892 -2.901 -6.899 1.00 0.00 O ATOM 1220 ND2 ASN A 73 -19.664 -3.783 -5.981 1.00 0.00 N ATOM 0 H ASN A 73 -15.750 -5.088 -3.558 1.00 0.00 H new ATOM 0 HA ASN A 73 -15.987 -2.720 -5.237 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -16.951 -5.130 -5.462 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -18.085 -4.704 -4.195 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -20.270 -3.329 -6.665 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -20.068 -4.375 -5.255 1.00 0.00 H new ATOM 1227 N ASP A 74 -17.404 -2.641 -2.300 1.00 0.00 N ATOM 1228 CA ASP A 74 -18.072 -1.715 -1.351 1.00 0.00 C ATOM 1229 C ASP A 74 -17.140 -0.558 -0.984 1.00 0.00 C ATOM 1230 O ASP A 74 -17.509 0.596 -1.054 1.00 0.00 O ATOM 1231 CB ASP A 74 -18.365 -2.567 -0.116 1.00 0.00 C ATOM 1232 CG ASP A 74 -19.244 -1.775 0.853 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -20.354 -1.437 0.475 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -18.791 -1.517 1.955 1.00 0.00 O ATOM 0 H ASP A 74 -17.157 -3.551 -1.912 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.973 -1.273 -1.776 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -18.867 -3.489 -0.408 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -17.433 -2.852 0.372 1.00 0.00 H new ATOM 1239 N LEU A 75 -15.934 -0.861 -0.588 1.00 0.00 N ATOM 1240 CA LEU A 75 -14.974 0.219 -0.208 1.00 0.00 C ATOM 1241 C LEU A 75 -14.583 1.019 -1.442 1.00 0.00 C ATOM 1242 O LEU A 75 -14.303 2.198 -1.377 1.00 0.00 O ATOM 1243 CB LEU A 75 -13.761 -0.520 0.361 1.00 0.00 C ATOM 1244 CG LEU A 75 -14.031 -0.895 1.819 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -15.440 -1.475 1.936 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -13.011 -1.941 2.275 1.00 0.00 C ATOM 0 H LEU A 75 -15.570 -1.811 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.395 0.923 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.560 -1.417 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.874 0.110 0.294 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.945 -0.008 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.638 -1.744 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.168 -0.732 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.521 -2.363 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.204 -2.208 3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.097 -2.830 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.005 -1.531 2.186 1.00 0.00 H new ATOM 1258 N ALA A 76 -14.591 0.382 -2.571 1.00 0.00 N ATOM 1259 CA ALA A 76 -14.245 1.098 -3.830 1.00 0.00 C ATOM 1260 C ALA A 76 -15.314 2.151 -4.078 1.00 0.00 C ATOM 1261 O ALA A 76 -15.051 3.264 -4.488 1.00 0.00 O ATOM 1262 CB ALA A 76 -14.266 0.029 -4.923 1.00 0.00 C ATOM 0 H ALA A 76 -14.822 -0.605 -2.682 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.276 1.596 -3.797 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -14.020 0.484 -5.882 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.534 -0.744 -4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.259 -0.416 -4.977 1.00 0.00 H new ATOM 1268 N ARG A 77 -16.525 1.775 -3.813 1.00 0.00 N ATOM 1269 CA ARG A 77 -17.682 2.685 -3.996 1.00 0.00 C ATOM 1270 C ARG A 77 -17.540 3.935 -3.118 1.00 0.00 C ATOM 1271 O ARG A 77 -17.884 5.028 -3.520 1.00 0.00 O ATOM 1272 CB ARG A 77 -18.858 1.832 -3.530 1.00 0.00 C ATOM 1273 CG ARG A 77 -19.755 1.495 -4.723 1.00 0.00 C ATOM 1274 CD ARG A 77 -21.186 1.263 -4.235 1.00 0.00 C ATOM 1275 NE ARG A 77 -21.666 0.076 -4.995 1.00 0.00 N ATOM 1276 CZ ARG A 77 -22.479 -0.775 -4.433 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -23.104 -0.450 -3.334 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -22.665 -1.950 -4.968 1.00 0.00 N ATOM 0 H ARG A 77 -16.770 0.847 -3.467 1.00 0.00 H new ATOM 0 HA ARG A 77 -17.786 3.050 -5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -18.494 0.915 -3.066 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -19.430 2.367 -2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -19.734 2.308 -5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -19.384 0.605 -5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -21.212 1.080 -3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -21.814 2.134 -4.425 1.00 0.00 H new ATOM 0 HE ARG A 77 -21.359 -0.072 -5.956 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -22.956 0.469 -2.916 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -23.740 -1.115 -2.893 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -22.175 -2.203 -5.826 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -23.301 -2.616 -4.529 1.00 0.00 H new ATOM 1292 N GLU A 78 -17.051 3.781 -1.918 1.00 0.00 N ATOM 1293 CA GLU A 78 -16.904 4.960 -1.010 1.00 0.00 C ATOM 1294 C GLU A 78 -15.784 5.888 -1.487 1.00 0.00 C ATOM 1295 O GLU A 78 -15.933 7.093 -1.514 1.00 0.00 O ATOM 1296 CB GLU A 78 -16.550 4.369 0.355 1.00 0.00 C ATOM 1297 CG GLU A 78 -17.442 3.160 0.643 1.00 0.00 C ATOM 1298 CD GLU A 78 -17.882 3.186 2.107 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -18.047 4.273 2.637 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -18.047 2.118 2.676 1.00 0.00 O ATOM 0 H GLU A 78 -16.746 2.891 -1.525 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.814 5.559 -0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.502 4.071 0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.680 5.122 1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -18.315 3.175 -0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.901 2.238 0.431 1.00 0.00 H new ATOM 1307 N LEU A 79 -14.657 5.341 -1.847 1.00 0.00 N ATOM 1308 CA LEU A 79 -13.524 6.199 -2.301 1.00 0.00 C ATOM 1309 C LEU A 79 -13.917 7.010 -3.542 1.00 0.00 C ATOM 1310 O LEU A 79 -13.748 8.212 -3.587 1.00 0.00 O ATOM 1311 CB LEU A 79 -12.393 5.224 -2.636 1.00 0.00 C ATOM 1312 CG LEU A 79 -12.043 4.386 -1.404 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -10.997 3.336 -1.782 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -11.475 5.296 -0.310 1.00 0.00 C ATOM 0 H LEU A 79 -14.470 4.338 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.232 6.920 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.695 4.572 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.515 5.775 -2.973 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.942 3.891 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.747 2.739 -0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.398 2.687 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.099 3.833 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.226 4.699 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.577 5.791 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.218 6.046 -0.039 1.00 0.00 H new ATOM 1326 N ARG A 80 -14.430 6.363 -4.551 1.00 0.00 N ATOM 1327 CA ARG A 80 -14.819 7.099 -5.792 1.00 0.00 C ATOM 1328 C ARG A 80 -16.020 8.014 -5.536 1.00 0.00 C ATOM 1329 O ARG A 80 -16.208 9.006 -6.211 1.00 0.00 O ATOM 1330 CB ARG A 80 -15.190 6.007 -6.796 1.00 0.00 C ATOM 1331 CG ARG A 80 -15.915 6.634 -7.989 1.00 0.00 C ATOM 1332 CD ARG A 80 -17.403 6.285 -7.924 1.00 0.00 C ATOM 1333 NE ARG A 80 -17.635 5.382 -9.085 1.00 0.00 N ATOM 1334 CZ ARG A 80 -18.658 5.580 -9.870 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -19.830 5.106 -9.548 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -18.509 6.255 -10.978 1.00 0.00 N ATOM 0 H ARG A 80 -14.598 5.357 -4.573 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.013 7.739 -6.151 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.292 5.489 -7.134 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.828 5.262 -6.320 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.784 7.716 -7.980 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.486 6.269 -8.922 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -17.653 5.793 -6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -18.022 7.180 -7.989 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.995 4.609 -9.266 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -19.947 4.580 -8.682 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -20.629 5.261 -10.162 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.593 6.627 -11.229 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -19.308 6.410 -11.592 1.00 0.00 H new ATOM 1350 N ILE A 81 -16.844 7.684 -4.583 1.00 0.00 N ATOM 1351 CA ILE A 81 -18.037 8.531 -4.309 1.00 0.00 C ATOM 1352 C ILE A 81 -17.693 9.708 -3.390 1.00 0.00 C ATOM 1353 O ILE A 81 -18.435 10.667 -3.306 1.00 0.00 O ATOM 1354 CB ILE A 81 -19.031 7.588 -3.631 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -19.635 6.661 -4.687 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -20.139 8.408 -2.970 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -20.746 5.818 -4.059 1.00 0.00 C ATOM 0 H ILE A 81 -16.744 6.866 -3.982 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.436 8.975 -5.221 1.00 0.00 H new ATOM 0 HB ILE A 81 -18.522 6.995 -2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -20.034 7.248 -5.514 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -18.862 6.012 -5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.849 7.737 -2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.704 9.074 -2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.656 8.998 -3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -21.174 5.159 -4.814 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.334 5.219 -3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -21.523 6.474 -3.668 1.00 0.00 H new ATOM 1369 N ARG A 82 -16.587 9.658 -2.694 1.00 0.00 N ATOM 1370 CA ARG A 82 -16.251 10.798 -1.792 1.00 0.00 C ATOM 1371 C ARG A 82 -15.750 11.993 -2.587 1.00 0.00 C ATOM 1372 O ARG A 82 -15.294 11.883 -3.708 1.00 0.00 O ATOM 1373 CB ARG A 82 -15.154 10.310 -0.859 1.00 0.00 C ATOM 1374 CG ARG A 82 -14.641 11.488 -0.026 1.00 0.00 C ATOM 1375 CD ARG A 82 -13.893 10.958 1.200 1.00 0.00 C ATOM 1376 NE ARG A 82 -14.209 11.924 2.288 1.00 0.00 N ATOM 1377 CZ ARG A 82 -15.252 11.730 3.048 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -15.242 10.778 3.941 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -16.306 12.489 2.917 1.00 0.00 N ATOM 0 H ARG A 82 -15.913 8.892 -2.710 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.136 11.118 -1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.538 9.527 -0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.338 9.873 -1.435 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.980 12.112 -0.627 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.475 12.117 0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.221 9.951 1.458 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.820 10.907 1.016 1.00 0.00 H new ATOM 0 HE ARG A 82 -13.611 12.736 2.439 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.419 10.185 4.045 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -16.058 10.627 4.535 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -16.315 13.234 2.220 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.121 12.337 3.511 1.00 0.00 H new ATOM 1393 N ASP A 83 -15.843 13.135 -1.991 1.00 0.00 N ATOM 1394 CA ASP A 83 -15.386 14.391 -2.655 1.00 0.00 C ATOM 1395 C ASP A 83 -13.856 14.486 -2.677 1.00 0.00 C ATOM 1396 O ASP A 83 -13.256 14.819 -3.680 1.00 0.00 O ATOM 1397 CB ASP A 83 -15.975 15.516 -1.804 1.00 0.00 C ATOM 1398 CG ASP A 83 -15.393 16.858 -2.252 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -15.076 16.983 -3.423 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -15.275 17.737 -1.416 1.00 0.00 O ATOM 0 H ASP A 83 -16.223 13.263 -1.053 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.709 14.437 -3.695 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -17.061 15.529 -1.901 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -15.751 15.344 -0.751 1.00 0.00 H new ATOM 1405 N ASN A 84 -13.228 14.233 -1.561 1.00 0.00 N ATOM 1406 CA ASN A 84 -11.739 14.348 -1.483 1.00 0.00 C ATOM 1407 C ASN A 84 -11.031 13.301 -2.350 1.00 0.00 C ATOM 1408 O ASN A 84 -9.925 13.515 -2.802 1.00 0.00 O ATOM 1409 CB ASN A 84 -11.412 14.123 -0.006 1.00 0.00 C ATOM 1410 CG ASN A 84 -12.356 14.961 0.860 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -13.560 14.812 0.785 1.00 0.00 O ATOM 1412 ND2 ASN A 84 -11.858 15.840 1.686 1.00 0.00 N ATOM 0 H ASN A 84 -13.683 13.950 -0.693 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.398 15.315 -1.854 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.514 13.067 0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.377 14.399 0.194 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.479 16.402 2.268 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.848 15.965 1.749 1.00 0.00 H new ATOM 1419 N VAL A 85 -11.638 12.171 -2.582 1.00 0.00 N ATOM 1420 CA VAL A 85 -10.959 11.133 -3.409 1.00 0.00 C ATOM 1421 C VAL A 85 -11.125 11.436 -4.901 1.00 0.00 C ATOM 1422 O VAL A 85 -12.225 11.545 -5.405 1.00 0.00 O ATOM 1423 CB VAL A 85 -11.657 9.823 -3.047 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -11.292 8.753 -4.074 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -11.202 9.375 -1.657 1.00 0.00 C ATOM 0 H VAL A 85 -12.566 11.922 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.887 11.094 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.737 9.971 -3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.789 7.818 -3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.613 9.075 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.213 8.602 -4.074 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.698 8.440 -1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.122 9.225 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.461 10.140 -0.925 1.00 0.00 H new ATOM 1435 N ARG A 86 -10.036 11.566 -5.613 1.00 0.00 N ATOM 1436 CA ARG A 86 -10.128 11.856 -7.073 1.00 0.00 C ATOM 1437 C ARG A 86 -10.106 10.550 -7.874 1.00 0.00 C ATOM 1438 O ARG A 86 -10.779 10.414 -8.876 1.00 0.00 O ATOM 1439 CB ARG A 86 -8.891 12.699 -7.390 1.00 0.00 C ATOM 1440 CG ARG A 86 -9.304 13.929 -8.202 1.00 0.00 C ATOM 1441 CD ARG A 86 -8.154 14.941 -8.221 1.00 0.00 C ATOM 1442 NE ARG A 86 -7.913 15.225 -9.664 1.00 0.00 N ATOM 1443 CZ ARG A 86 -6.928 14.642 -10.290 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -6.944 13.349 -10.471 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -5.926 15.351 -10.738 1.00 0.00 N ATOM 0 H ARG A 86 -9.088 11.484 -5.246 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.051 12.374 -7.333 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.402 13.008 -6.466 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.168 12.106 -7.951 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.561 13.636 -9.220 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.194 14.383 -7.767 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.418 15.849 -7.679 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.262 14.534 -7.745 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.519 15.876 -10.163 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.727 12.795 -10.123 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.174 12.893 -10.960 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.913 16.361 -10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.156 14.894 -11.227 1.00 0.00 H new ATOM 1459 N ARG A 87 -9.344 9.584 -7.436 1.00 0.00 N ATOM 1460 CA ARG A 87 -9.287 8.286 -8.171 1.00 0.00 C ATOM 1461 C ARG A 87 -9.252 7.119 -7.181 1.00 0.00 C ATOM 1462 O ARG A 87 -8.948 7.287 -6.018 1.00 0.00 O ATOM 1463 CB ARG A 87 -7.990 8.333 -8.981 1.00 0.00 C ATOM 1464 CG ARG A 87 -7.944 9.615 -9.815 1.00 0.00 C ATOM 1465 CD ARG A 87 -7.468 9.283 -11.232 1.00 0.00 C ATOM 1466 NE ARG A 87 -6.135 9.936 -11.355 1.00 0.00 N ATOM 1467 CZ ARG A 87 -5.189 9.369 -12.055 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -5.391 9.080 -13.312 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -4.041 9.092 -11.499 1.00 0.00 N ATOM 0 H ARG A 87 -8.759 9.637 -6.602 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.159 8.142 -8.809 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.131 8.293 -8.311 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.926 7.462 -9.633 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.932 10.075 -9.850 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.271 10.338 -9.354 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.395 8.206 -11.381 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.164 9.662 -11.981 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.960 10.828 -10.892 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.287 9.297 -13.747 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.652 8.637 -13.859 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.882 9.318 -10.517 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.303 8.649 -12.046 1.00 0.00 H new ATOM 1483 N VAL A 88 -9.558 5.937 -7.639 1.00 0.00 N ATOM 1484 CA VAL A 88 -9.540 4.754 -6.729 1.00 0.00 C ATOM 1485 C VAL A 88 -8.745 3.612 -7.366 1.00 0.00 C ATOM 1486 O VAL A 88 -9.058 3.152 -8.446 1.00 0.00 O ATOM 1487 CB VAL A 88 -11.008 4.361 -6.567 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -11.120 3.206 -5.569 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -11.801 5.562 -6.045 1.00 0.00 C ATOM 0 H VAL A 88 -9.820 5.737 -8.604 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.068 4.973 -5.771 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.409 4.049 -7.531 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.167 2.925 -5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.554 2.351 -5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.719 3.518 -4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.848 5.284 -5.929 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.399 5.872 -5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.721 6.386 -6.754 1.00 0.00 H new ATOM 1499 N MET A 89 -7.717 3.149 -6.706 1.00 0.00 N ATOM 1500 CA MET A 89 -6.905 2.040 -7.278 1.00 0.00 C ATOM 1501 C MET A 89 -6.733 0.918 -6.251 1.00 0.00 C ATOM 1502 O MET A 89 -6.145 1.105 -5.205 1.00 0.00 O ATOM 1503 CB MET A 89 -5.558 2.678 -7.608 1.00 0.00 C ATOM 1504 CG MET A 89 -5.690 3.513 -8.883 1.00 0.00 C ATOM 1505 SD MET A 89 -4.133 3.467 -9.802 1.00 0.00 S ATOM 1506 CE MET A 89 -4.741 4.263 -11.310 1.00 0.00 C ATOM 0 H MET A 89 -7.406 3.491 -5.797 1.00 0.00 H new ATOM 0 HA MET A 89 -7.374 1.591 -8.154 1.00 0.00 H new ATOM 0 HB2 MET A 89 -5.229 3.307 -6.781 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.801 1.906 -7.743 1.00 0.00 H new ATOM 0 HG2 MET A 89 -6.500 3.126 -9.501 1.00 0.00 H new ATOM 0 HG3 MET A 89 -5.945 4.542 -8.631 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.929 4.341 -12.033 1.00 0.00 H new ATOM 0 HE2 MET A 89 -5.550 3.668 -11.735 1.00 0.00 H new ATOM 0 HE3 MET A 89 -5.111 5.260 -11.071 1.00 0.00 H new ATOM 1516 N VAL A 90 -7.242 -0.248 -6.543 1.00 0.00 N ATOM 1517 CA VAL A 90 -7.107 -1.385 -5.585 1.00 0.00 C ATOM 1518 C VAL A 90 -5.900 -2.250 -5.961 1.00 0.00 C ATOM 1519 O VAL A 90 -5.865 -2.862 -7.009 1.00 0.00 O ATOM 1520 CB VAL A 90 -8.404 -2.183 -5.731 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -8.550 -3.140 -4.546 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -9.597 -1.224 -5.759 1.00 0.00 C ATOM 0 H VAL A 90 -7.746 -0.464 -7.403 1.00 0.00 H new ATOM 0 HA VAL A 90 -6.950 -1.047 -4.561 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.375 -2.753 -6.660 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.474 -3.709 -4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.702 -3.825 -4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.578 -2.569 -3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.520 -1.794 -5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.626 -0.652 -4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.495 -0.541 -6.603 1.00 0.00 H new ATOM 1532 N VAL A 91 -4.907 -2.304 -5.115 1.00 0.00 N ATOM 1533 CA VAL A 91 -3.705 -3.127 -5.429 1.00 0.00 C ATOM 1534 C VAL A 91 -3.393 -4.076 -4.269 1.00 0.00 C ATOM 1535 O VAL A 91 -3.483 -3.711 -3.113 1.00 0.00 O ATOM 1536 CB VAL A 91 -2.569 -2.120 -5.614 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -2.670 -1.483 -7.001 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -2.667 -1.027 -4.545 1.00 0.00 C ATOM 0 H VAL A 91 -4.877 -1.814 -4.221 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.851 -3.745 -6.315 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.614 -2.636 -5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.860 -0.766 -7.132 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.595 -2.258 -7.764 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.627 -0.971 -7.097 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.856 -0.312 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.624 -0.513 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.592 -1.478 -3.556 1.00 0.00 H new ATOM 1548 N LYS A 92 -3.024 -5.293 -4.567 1.00 0.00 N ATOM 1549 CA LYS A 92 -2.703 -6.262 -3.480 1.00 0.00 C ATOM 1550 C LYS A 92 -1.248 -6.088 -3.034 1.00 0.00 C ATOM 1551 O LYS A 92 -0.426 -5.568 -3.760 1.00 0.00 O ATOM 1552 CB LYS A 92 -2.914 -7.642 -4.106 1.00 0.00 C ATOM 1553 CG LYS A 92 -1.815 -7.912 -5.134 1.00 0.00 C ATOM 1554 CD LYS A 92 -2.279 -9.000 -6.105 1.00 0.00 C ATOM 1555 CE LYS A 92 -1.248 -10.131 -6.141 1.00 0.00 C ATOM 1556 NZ LYS A 92 -1.601 -11.005 -4.989 1.00 0.00 N ATOM 0 H LYS A 92 -2.931 -5.658 -5.515 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.325 -6.118 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.899 -8.410 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.893 -7.690 -4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.581 -6.998 -5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.901 -8.225 -4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.249 -9.389 -5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.408 -8.580 -7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.295 -10.679 -7.082 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.233 -9.744 -6.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.939 -11.806 -4.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.541 -10.458 -4.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.570 -11.363 -5.109 1.00 0.00 H new ATOM 1570 N SER A 93 -0.927 -6.518 -1.845 1.00 0.00 N ATOM 1571 CA SER A 93 0.473 -6.375 -1.355 1.00 0.00 C ATOM 1572 C SER A 93 1.315 -7.574 -1.800 1.00 0.00 C ATOM 1573 O SER A 93 0.852 -8.434 -2.523 1.00 0.00 O ATOM 1574 CB SER A 93 0.356 -6.339 0.168 1.00 0.00 C ATOM 1575 OG SER A 93 -0.965 -5.956 0.525 1.00 0.00 O ATOM 0 H SER A 93 -1.573 -6.962 -1.192 1.00 0.00 H new ATOM 0 HA SER A 93 0.959 -5.483 -1.749 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.589 -7.318 0.586 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.077 -5.635 0.584 1.00 0.00 H new ATOM 0 HG SER A 93 -1.577 -6.705 0.368 1.00 0.00 H new ATOM 1581 N GLN A 94 2.546 -7.639 -1.374 1.00 0.00 N ATOM 1582 CA GLN A 94 3.411 -8.784 -1.775 1.00 0.00 C ATOM 1583 C GLN A 94 3.650 -9.710 -0.578 1.00 0.00 C ATOM 1584 O GLN A 94 3.433 -9.338 0.558 1.00 0.00 O ATOM 1585 CB GLN A 94 4.722 -8.147 -2.236 1.00 0.00 C ATOM 1586 CG GLN A 94 5.342 -7.356 -1.083 1.00 0.00 C ATOM 1587 CD GLN A 94 5.022 -5.870 -1.252 1.00 0.00 C ATOM 1588 OE1 GLN A 94 5.172 -5.322 -2.327 1.00 0.00 O ATOM 1589 NE2 GLN A 94 4.583 -5.188 -0.229 1.00 0.00 N ATOM 0 H GLN A 94 2.990 -6.950 -0.767 1.00 0.00 H new ATOM 0 HA GLN A 94 2.958 -9.392 -2.558 1.00 0.00 H new ATOM 0 HB2 GLN A 94 5.414 -8.919 -2.574 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.539 -7.488 -3.085 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.953 -7.716 -0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.421 -7.506 -1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.457 -5.647 0.673 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.366 -4.197 -0.332 1.00 0.00 H new ATOM 1598 N GLU A 95 4.091 -10.913 -0.826 1.00 0.00 N ATOM 1599 CA GLU A 95 4.342 -11.861 0.299 1.00 0.00 C ATOM 1600 C GLU A 95 5.845 -11.978 0.569 1.00 0.00 C ATOM 1601 O GLU A 95 6.603 -12.369 -0.297 1.00 0.00 O ATOM 1602 CB GLU A 95 3.775 -13.198 -0.182 1.00 0.00 C ATOM 1603 CG GLU A 95 2.333 -13.000 -0.655 1.00 0.00 C ATOM 1604 CD GLU A 95 1.761 -14.340 -1.124 1.00 0.00 C ATOM 1605 OE1 GLU A 95 2.423 -15.005 -1.902 1.00 0.00 O ATOM 1606 OE2 GLU A 95 0.668 -14.676 -0.696 1.00 0.00 O ATOM 0 H GLU A 95 4.288 -11.281 -1.757 1.00 0.00 H new ATOM 0 HA GLU A 95 3.880 -11.532 1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.385 -13.592 -0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.807 -13.930 0.625 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.725 -12.597 0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.302 -12.275 -1.468 1.00 0.00 H new ATOM 1613 N PRO A 96 6.229 -11.628 1.769 1.00 0.00 N ATOM 1614 CA PRO A 96 7.658 -11.688 2.162 1.00 0.00 C ATOM 1615 C PRO A 96 8.089 -13.136 2.414 1.00 0.00 C ATOM 1616 O PRO A 96 7.287 -14.049 2.378 1.00 0.00 O ATOM 1617 CB PRO A 96 7.707 -10.879 3.453 1.00 0.00 C ATOM 1618 CG PRO A 96 6.322 -10.949 4.016 1.00 0.00 C ATOM 1619 CD PRO A 96 5.374 -11.146 2.859 1.00 0.00 C ATOM 0 HA PRO A 96 8.327 -11.303 1.393 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.436 -11.293 4.149 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.001 -9.847 3.260 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.237 -11.772 4.726 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.081 -10.034 4.558 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.594 -11.868 3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.874 -10.215 2.591 1.00 0.00 H new ATOM 1627 N PHE A 97 9.351 -13.350 2.674 1.00 0.00 N ATOM 1628 CA PHE A 97 9.835 -14.738 2.933 1.00 0.00 C ATOM 1629 C PHE A 97 10.309 -14.869 4.383 1.00 0.00 C ATOM 1630 O PHE A 97 10.992 -14.009 4.903 1.00 0.00 O ATOM 1631 CB PHE A 97 11.006 -14.938 1.969 1.00 0.00 C ATOM 1632 CG PHE A 97 10.504 -14.899 0.546 1.00 0.00 C ATOM 1633 CD1 PHE A 97 9.358 -15.618 0.187 1.00 0.00 C ATOM 1634 CD2 PHE A 97 11.189 -14.146 -0.416 1.00 0.00 C ATOM 1635 CE1 PHE A 97 8.896 -15.584 -1.134 1.00 0.00 C ATOM 1636 CE2 PHE A 97 10.727 -14.113 -1.737 1.00 0.00 C ATOM 1637 CZ PHE A 97 9.581 -14.832 -2.096 1.00 0.00 C ATOM 0 H PHE A 97 10.067 -12.625 2.718 1.00 0.00 H new ATOM 0 HA PHE A 97 9.052 -15.482 2.784 1.00 0.00 H new ATOM 0 HB2 PHE A 97 11.754 -14.160 2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 97 11.494 -15.892 2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 97 8.830 -16.199 0.929 1.00 0.00 H new ATOM 0 HD2 PHE A 97 12.073 -13.591 -0.139 1.00 0.00 H new ATOM 0 HE1 PHE A 97 8.011 -16.138 -1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 97 11.255 -13.533 -2.479 1.00 0.00 H new ATOM 0 HZ PHE A 97 9.225 -14.807 -3.115 1.00 0.00 H new ATOM 1647 N LEU A 98 9.952 -15.939 5.038 1.00 0.00 N ATOM 1648 CA LEU A 98 10.385 -16.123 6.453 1.00 0.00 C ATOM 1649 C LEU A 98 11.798 -16.708 6.503 1.00 0.00 C ATOM 1650 O LEU A 98 12.117 -17.645 5.801 1.00 0.00 O ATOM 1651 CB LEU A 98 9.380 -17.104 7.055 1.00 0.00 C ATOM 1652 CG LEU A 98 8.836 -16.535 8.364 1.00 0.00 C ATOM 1653 CD1 LEU A 98 7.340 -16.834 8.468 1.00 0.00 C ATOM 1654 CD2 LEU A 98 9.570 -17.177 9.544 1.00 0.00 C ATOM 0 H LEU A 98 9.380 -16.693 4.656 1.00 0.00 H new ATOM 0 HA LEU A 98 10.411 -15.180 7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.563 -17.280 6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.858 -18.067 7.235 1.00 0.00 H new ATOM 0 HG LEU A 98 8.992 -15.456 8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.952 -16.428 9.402 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.818 -16.375 7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.182 -17.912 8.448 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.182 -16.771 10.478 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.415 -18.256 9.525 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.636 -16.962 9.470 1.00 0.00 H new ATOM 1666 N ALA A 99 12.646 -16.163 7.332 1.00 0.00 N ATOM 1667 CA ALA A 99 14.036 -16.692 7.426 1.00 0.00 C ATOM 1668 C ALA A 99 14.649 -16.325 8.780 1.00 0.00 C ATOM 1669 O ALA A 99 13.950 -16.086 9.744 1.00 0.00 O ATOM 1670 CB ALA A 99 14.799 -16.010 6.290 1.00 0.00 C ATOM 0 H ALA A 99 12.437 -15.376 7.947 1.00 0.00 H new ATOM 0 HA ALA A 99 14.071 -17.778 7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 99 15.835 -16.349 6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 99 14.336 -16.265 5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 99 14.771 -14.929 6.430 1.00 0.00 H new ATOM 1676 N ASN A 100 15.950 -16.278 8.860 1.00 0.00 N ATOM 1677 CA ASN A 100 16.605 -15.925 10.151 1.00 0.00 C ATOM 1678 C ASN A 100 16.514 -14.416 10.393 1.00 0.00 C ATOM 1679 O ASN A 100 15.708 -13.730 9.798 1.00 0.00 O ATOM 1680 CB ASN A 100 18.063 -16.357 9.986 1.00 0.00 C ATOM 1681 CG ASN A 100 18.314 -17.632 10.795 1.00 0.00 C ATOM 1682 OD1 ASN A 100 19.378 -17.813 11.351 1.00 0.00 O ATOM 1683 ND2 ASN A 100 17.371 -18.531 10.883 1.00 0.00 N ATOM 0 H ASN A 100 16.588 -16.469 8.087 1.00 0.00 H new ATOM 0 HA ASN A 100 16.131 -16.412 11.003 1.00 0.00 H new ATOM 0 HB2 ASN A 100 18.284 -16.533 8.933 1.00 0.00 H new ATOM 0 HB3 ASN A 100 18.729 -15.563 10.324 1.00 0.00 H new ATOM 0 HD21 ASN A 100 17.529 -19.385 11.419 1.00 0.00 H new ATOM 0 HD22 ASN A 100 16.477 -18.380 10.416 1.00 0.00 H new ATOM 1690 N ALA A 101 17.335 -13.895 11.262 1.00 0.00 N ATOM 1691 CA ALA A 101 17.294 -12.431 11.540 1.00 0.00 C ATOM 1692 C ALA A 101 18.654 -11.798 11.237 1.00 0.00 C ATOM 1693 O ALA A 101 19.630 -12.529 11.199 1.00 0.00 O ATOM 1694 CB ALA A 101 16.968 -12.319 13.029 1.00 0.00 C ATOM 1695 OXT ALA A 101 18.696 -10.594 11.045 1.00 0.00 O ATOM 0 H ALA A 101 18.032 -14.419 11.791 1.00 0.00 H new ATOM 0 HA ALA A 101 16.559 -11.913 10.923 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.920 -11.268 13.313 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.007 -12.793 13.228 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.745 -12.817 13.610 1.00 0.00 H new TER 1701 ALA A 101