USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 845 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 94 SER OG : rot 180:sc= -0.272 USER MOD Set 1.2: A 112 GLN : amide:sc= -0.507 K(o=-0.78,f=-5!) USER MOD Set 2.1: A 79 ASN : amide:sc= -2.68 K(o=-4,f=-16!) USER MOD Set 2.2: A 81 SER OG : rot 28:sc= -1.35 USER MOD Set 3.1: A 63 GLN : amide:sc= -2.82 K(o=-2.8,f=-4.2) USER MOD Set 3.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 95 TYR OH : rot 104:sc= -0.0931 USER MOD Set 5.1: A 43 TYR OH : rot 36:sc= 0.0216 USER MOD Set 5.2: A 98 GLN : amide:sc= -1.17 K(o=-1.2,f=-1.7) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0738 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.21) USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= -0.0149 (180deg=-0.161) USER MOD Single : A 31 HIS : no HE2:sc= -0.566 X(o=-0.57,f=-0.86) USER MOD Single : A 32 ASN : amide:sc= -0.325! K(o=-0.33!,f=-1.2) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 40 TYR OH : rot -165:sc= 0.783 USER MOD Single : A 41 ASN : amide:sc= -1.68 K(o=-1.7,f=-2.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.794 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.667 X(o=-0.67,f=-0.89) USER MOD Single : A 62 GLN : amide:sc= -0.0557 K(o=-0.056,f=-1.6!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -51:sc= 0.043 USER MOD Single : A 72 ASN : amide:sc= -0.0835 K(o=-0.083,f=0.67) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 139:sc= -0.779 (180deg=-4.04!) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0218 K(o=-0.022,f=-0.69) USER MOD Single : A 92 THR OG1 : rot 101:sc= 0.492 USER MOD Single : A 96 THR OG1 : rot 70:sc= 1.09 USER MOD Single : A 101 LYS NZ :NH3+ 155:sc= -1.81 (180deg=-2.16) USER MOD Single : A 103 ASN : amide:sc= -1.84! C(o=-1.8!,f=-1.4!) USER MOD Single : A 105 MET CE :methyl -151:sc= -0.312 (180deg=-1.22) USER MOD Single : A 106 SER OG : rot 180:sc= -0.383 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= 0.294 K(o=0.29,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 90 N GLN A 10 1.764 15.669 9.509 1.00 0.00 N ATOM 91 CA GLN A 10 2.098 14.770 8.411 1.00 0.00 C ATOM 92 C GLN A 10 0.974 13.768 8.167 1.00 0.00 C ATOM 93 O GLN A 10 0.386 13.236 9.109 1.00 0.00 O ATOM 94 CB GLN A 10 3.402 14.027 8.710 1.00 0.00 C ATOM 95 CG GLN A 10 3.362 13.221 9.998 1.00 0.00 C ATOM 96 CD GLN A 10 4.490 12.213 10.090 1.00 0.00 C ATOM 97 OE1 GLN A 10 5.464 12.419 10.815 1.00 0.00 O ATOM 98 NE2 GLN A 10 4.364 11.114 9.355 1.00 0.00 N ATOM 0 HA GLN A 10 2.228 15.370 7.511 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.628 13.358 7.880 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.217 14.749 8.768 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.416 13.900 10.849 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.407 12.700 10.066 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.540 10.985 8.768 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.091 10.399 9.377 1.00 0.00 H new ATOM 107 N LEU A 11 0.678 13.517 6.896 1.00 0.00 N ATOM 108 CA LEU A 11 -0.377 12.579 6.527 1.00 0.00 C ATOM 109 C LEU A 11 -0.019 11.160 6.957 1.00 0.00 C ATOM 110 O LEU A 11 0.902 10.549 6.414 1.00 0.00 O ATOM 111 CB LEU A 11 -0.618 12.621 5.017 1.00 0.00 C ATOM 112 CG LEU A 11 -2.055 12.364 4.560 1.00 0.00 C ATOM 113 CD1 LEU A 11 -2.224 12.737 3.095 1.00 0.00 C ATOM 114 CD2 LEU A 11 -2.435 10.909 4.789 1.00 0.00 C ATOM 0 H LEU A 11 1.153 13.950 6.104 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.290 12.876 7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.309 13.599 4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.030 11.882 4.545 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.722 12.990 5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.252 12.547 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.994 13.794 2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.547 12.137 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.460 10.744 4.458 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.763 10.264 4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.354 10.675 5.850 1.00 0.00 H new ATOM 126 N THR A 12 -0.755 10.640 7.934 1.00 0.00 N ATOM 127 CA THR A 12 -0.516 9.293 8.436 1.00 0.00 C ATOM 128 C THR A 12 -1.797 8.467 8.425 1.00 0.00 C ATOM 129 O THR A 12 -2.877 8.983 8.138 1.00 0.00 O ATOM 130 CB THR A 12 0.052 9.319 9.868 1.00 0.00 C ATOM 131 OG1 THR A 12 0.557 8.026 10.218 1.00 0.00 O ATOM 132 CG2 THR A 12 -1.016 9.739 10.866 1.00 0.00 C ATOM 0 H THR A 12 -1.522 11.132 8.393 1.00 0.00 H new ATOM 0 HA THR A 12 0.216 8.834 7.771 1.00 0.00 H new ATOM 0 HB THR A 12 0.863 10.046 9.900 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.918 8.051 11.129 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.592 9.750 11.870 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.378 10.736 10.614 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.845 9.032 10.830 1.00 0.00 H new ATOM 140 N ILE A 13 -1.670 7.182 8.741 1.00 0.00 N ATOM 141 CA ILE A 13 -2.819 6.286 8.769 1.00 0.00 C ATOM 142 C ILE A 13 -2.758 5.351 9.972 1.00 0.00 C ATOM 143 O ILE A 13 -1.739 4.708 10.219 1.00 0.00 O ATOM 144 CB ILE A 13 -2.908 5.444 7.482 1.00 0.00 C ATOM 145 CG1 ILE A 13 -3.417 6.299 6.320 1.00 0.00 C ATOM 146 CG2 ILE A 13 -3.814 4.241 7.698 1.00 0.00 C ATOM 147 CD1 ILE A 13 -3.287 5.626 4.972 1.00 0.00 C ATOM 0 H ILE A 13 -0.783 6.739 8.981 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.707 6.914 8.845 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.910 5.083 7.232 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.464 6.547 6.494 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.865 7.239 6.302 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.867 3.656 6.780 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.412 3.622 8.500 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.813 4.582 7.969 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.667 6.290 4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.238 5.402 4.777 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.862 4.700 4.971 1.00 0.00 H new ATOM 159 N GLU A 14 -3.858 5.280 10.716 1.00 0.00 N ATOM 160 CA GLU A 14 -3.928 4.422 11.893 1.00 0.00 C ATOM 161 C GLU A 14 -5.052 3.399 11.754 1.00 0.00 C ATOM 162 O GLU A 14 -6.218 3.759 11.592 1.00 0.00 O ATOM 163 CB GLU A 14 -4.144 5.264 13.153 1.00 0.00 C ATOM 164 CG GLU A 14 -4.189 4.445 14.432 1.00 0.00 C ATOM 165 CD GLU A 14 -4.293 5.308 15.674 1.00 0.00 C ATOM 166 OE1 GLU A 14 -3.757 6.436 15.658 1.00 0.00 O ATOM 167 OE2 GLU A 14 -4.910 4.857 16.661 1.00 0.00 O ATOM 0 H GLU A 14 -4.711 5.805 10.525 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.982 3.888 11.979 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.343 5.999 13.230 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.077 5.819 13.054 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.040 3.765 14.394 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.292 3.829 14.496 1.00 0.00 H new ATOM 174 N ALA A 15 -4.692 2.121 11.817 1.00 0.00 N ATOM 175 CA ALA A 15 -5.668 1.046 11.699 1.00 0.00 C ATOM 176 C ALA A 15 -6.525 0.942 12.957 1.00 0.00 C ATOM 177 O ALA A 15 -6.024 1.070 14.074 1.00 0.00 O ATOM 178 CB ALA A 15 -4.967 -0.276 11.426 1.00 0.00 C ATOM 0 H ALA A 15 -3.731 1.806 11.949 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.325 1.276 10.861 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.709 -1.070 11.340 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.403 -0.204 10.496 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.286 -0.503 12.246 1.00 0.00 H new ATOM 184 N VAL A 16 -7.821 0.711 12.767 1.00 0.00 N ATOM 185 CA VAL A 16 -8.747 0.591 13.886 1.00 0.00 C ATOM 186 C VAL A 16 -9.745 -0.538 13.654 1.00 0.00 C ATOM 187 O VAL A 16 -10.655 -0.436 12.831 1.00 0.00 O ATOM 188 CB VAL A 16 -9.519 1.903 14.120 1.00 0.00 C ATOM 189 CG1 VAL A 16 -10.538 1.732 15.236 1.00 0.00 C ATOM 190 CG2 VAL A 16 -8.556 3.038 14.436 1.00 0.00 C ATOM 0 H VAL A 16 -8.252 0.603 11.849 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.148 0.368 14.769 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.056 2.156 13.206 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.073 2.669 15.387 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.246 0.949 14.965 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.026 1.455 16.157 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.118 3.958 14.599 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.990 2.795 15.335 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.869 3.176 13.601 1.00 0.00 H new ATOM 200 N PRO A 17 -9.573 -1.642 14.396 1.00 0.00 N ATOM 201 CA PRO A 17 -8.494 -1.775 15.379 1.00 0.00 C ATOM 202 C PRO A 17 -7.122 -1.885 14.722 1.00 0.00 C ATOM 203 O PRO A 17 -7.003 -1.827 13.498 1.00 0.00 O ATOM 204 CB PRO A 17 -8.840 -3.072 16.113 1.00 0.00 C ATOM 205 CG PRO A 17 -9.649 -3.856 15.138 1.00 0.00 C ATOM 206 CD PRO A 17 -10.420 -2.845 14.333 1.00 0.00 C ATOM 0 HA PRO A 17 -8.428 -0.905 16.032 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.940 -3.613 16.406 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.403 -2.873 17.025 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.008 -4.460 14.496 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.323 -4.542 15.652 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.569 -3.178 13.306 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.408 -2.664 14.756 1.00 0.00 H new ATOM 214 N SER A 18 -6.089 -2.044 15.542 1.00 0.00 N ATOM 215 CA SER A 18 -4.724 -2.159 15.040 1.00 0.00 C ATOM 216 C SER A 18 -4.349 -3.621 14.816 1.00 0.00 C ATOM 217 O SER A 18 -3.503 -3.934 13.980 1.00 0.00 O ATOM 218 CB SER A 18 -3.742 -1.513 16.019 1.00 0.00 C ATOM 219 OG SER A 18 -2.432 -1.481 15.480 1.00 0.00 O ATOM 0 H SER A 18 -6.171 -2.096 16.557 1.00 0.00 H new ATOM 0 HA SER A 18 -4.669 -1.637 14.084 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.068 -0.499 16.250 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.739 -2.069 16.957 1.00 0.00 H new ATOM 0 HG SER A 18 -1.823 -1.062 16.124 1.00 0.00 H new ATOM 225 N ASN A 19 -4.986 -4.511 15.571 1.00 0.00 N ATOM 226 CA ASN A 19 -4.719 -5.940 15.456 1.00 0.00 C ATOM 227 C ASN A 19 -6.020 -6.736 15.434 1.00 0.00 C ATOM 228 O ASN A 19 -6.500 -7.191 16.472 1.00 0.00 O ATOM 229 CB ASN A 19 -3.840 -6.411 16.617 1.00 0.00 C ATOM 230 CG ASN A 19 -2.675 -5.475 16.876 1.00 0.00 C ATOM 231 OD1 ASN A 19 -1.857 -5.224 15.990 1.00 0.00 O ATOM 232 ND2 ASN A 19 -2.594 -4.955 18.095 1.00 0.00 N ATOM 0 H ASN A 19 -5.690 -4.268 16.268 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.192 -6.111 14.517 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.446 -6.491 17.519 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.459 -7.409 16.400 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.831 -4.319 18.329 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.295 -5.191 18.798 1.00 0.00 H new ATOM 239 N ALA A 20 -6.586 -6.901 14.243 1.00 0.00 N ATOM 240 CA ALA A 20 -7.830 -7.644 14.085 1.00 0.00 C ATOM 241 C ALA A 20 -7.558 -9.121 13.823 1.00 0.00 C ATOM 242 O ALA A 20 -6.410 -9.529 13.648 1.00 0.00 O ATOM 243 CB ALA A 20 -8.660 -7.050 12.956 1.00 0.00 C ATOM 0 H ALA A 20 -6.203 -6.530 13.374 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.392 -7.565 15.015 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.586 -7.615 12.849 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.893 -6.010 13.184 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.096 -7.099 12.025 1.00 0.00 H new ATOM 249 N ALA A 21 -8.621 -9.919 13.797 1.00 0.00 N ATOM 250 CA ALA A 21 -8.495 -11.351 13.556 1.00 0.00 C ATOM 251 C ALA A 21 -9.250 -11.762 12.296 1.00 0.00 C ATOM 252 O ALA A 21 -10.183 -11.083 11.871 1.00 0.00 O ATOM 253 CB ALA A 21 -9.002 -12.135 14.757 1.00 0.00 C ATOM 0 H ALA A 21 -9.579 -9.598 13.940 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.440 -11.579 13.407 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.902 -13.203 14.563 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.417 -11.870 15.638 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.051 -11.895 14.932 1.00 0.00 H new ATOM 259 N GLU A 22 -8.838 -12.879 11.703 1.00 0.00 N ATOM 260 CA GLU A 22 -9.475 -13.379 10.491 1.00 0.00 C ATOM 261 C GLU A 22 -10.995 -13.305 10.605 1.00 0.00 C ATOM 262 O GLU A 22 -11.579 -13.776 11.579 1.00 0.00 O ATOM 263 CB GLU A 22 -9.043 -14.822 10.219 1.00 0.00 C ATOM 264 CG GLU A 22 -7.683 -14.934 9.550 1.00 0.00 C ATOM 265 CD GLU A 22 -7.157 -16.356 9.534 1.00 0.00 C ATOM 266 OE1 GLU A 22 -7.479 -17.098 8.582 1.00 0.00 O ATOM 267 OE2 GLU A 22 -6.422 -16.727 10.473 1.00 0.00 O ATOM 0 H GLU A 22 -8.067 -13.454 12.042 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.159 -12.750 9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.021 -15.370 11.161 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.790 -15.303 9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.754 -14.565 8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.972 -14.293 10.071 1.00 0.00 H new ATOM 274 N GLY A 23 -11.629 -12.709 9.600 1.00 0.00 N ATOM 275 CA GLY A 23 -13.075 -12.582 9.606 1.00 0.00 C ATOM 276 C GLY A 23 -13.538 -11.252 10.166 1.00 0.00 C ATOM 277 O GLY A 23 -14.682 -10.847 9.959 1.00 0.00 O ATOM 0 H GLY A 23 -11.167 -12.312 8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.451 -12.695 8.589 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.505 -13.391 10.197 1.00 0.00 H new ATOM 281 N LYS A 24 -12.649 -10.570 10.880 1.00 0.00 N ATOM 282 CA LYS A 24 -12.971 -9.278 11.473 1.00 0.00 C ATOM 283 C LYS A 24 -12.802 -8.155 10.455 1.00 0.00 C ATOM 284 O LYS A 24 -12.422 -8.396 9.309 1.00 0.00 O ATOM 285 CB LYS A 24 -12.081 -9.016 12.690 1.00 0.00 C ATOM 286 CG LYS A 24 -12.356 -9.949 13.856 1.00 0.00 C ATOM 287 CD LYS A 24 -13.603 -9.536 14.620 1.00 0.00 C ATOM 288 CE LYS A 24 -14.069 -10.635 15.562 1.00 0.00 C ATOM 289 NZ LYS A 24 -14.645 -11.792 14.823 1.00 0.00 N ATOM 0 H LYS A 24 -11.698 -10.891 11.062 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.013 -9.302 11.791 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.037 -9.116 12.394 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.222 -7.986 13.018 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.475 -10.968 13.487 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.500 -9.952 14.530 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.398 -8.630 15.190 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.400 -9.297 13.916 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.229 -10.973 16.169 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.816 -10.234 16.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.160 -12.406 15.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.299 -11.446 14.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.879 -12.334 14.374 1.00 0.00 H new ATOM 303 N GLU A 25 -13.085 -6.928 10.881 1.00 0.00 N ATOM 304 CA GLU A 25 -12.963 -5.768 10.006 1.00 0.00 C ATOM 305 C GLU A 25 -11.957 -4.767 10.566 1.00 0.00 C ATOM 306 O GLU A 25 -11.829 -4.612 11.780 1.00 0.00 O ATOM 307 CB GLU A 25 -14.324 -5.093 9.824 1.00 0.00 C ATOM 308 CG GLU A 25 -15.467 -6.073 9.613 1.00 0.00 C ATOM 309 CD GLU A 25 -15.741 -6.922 10.839 1.00 0.00 C ATOM 310 OE1 GLU A 25 -15.872 -6.350 11.941 1.00 0.00 O ATOM 311 OE2 GLU A 25 -15.825 -8.160 10.695 1.00 0.00 O ATOM 0 H GLU A 25 -13.400 -6.712 11.827 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.604 -6.113 9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.537 -4.482 10.701 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.274 -4.417 8.970 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -16.369 -5.522 9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.232 -6.723 8.770 1.00 0.00 H new ATOM 318 N VAL A 26 -11.244 -4.090 9.671 1.00 0.00 N ATOM 319 CA VAL A 26 -10.250 -3.103 10.074 1.00 0.00 C ATOM 320 C VAL A 26 -10.446 -1.788 9.328 1.00 0.00 C ATOM 321 O VAL A 26 -10.474 -1.758 8.097 1.00 0.00 O ATOM 322 CB VAL A 26 -8.818 -3.614 9.823 1.00 0.00 C ATOM 323 CG1 VAL A 26 -7.805 -2.507 10.071 1.00 0.00 C ATOM 324 CG2 VAL A 26 -8.524 -4.824 10.697 1.00 0.00 C ATOM 0 H VAL A 26 -11.337 -4.207 8.662 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.387 -2.935 11.142 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.737 -3.920 8.780 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.800 -2.886 9.889 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.006 -1.673 9.398 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.883 -2.167 11.104 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.509 -5.172 10.507 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.622 -4.547 11.747 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.230 -5.621 10.464 1.00 0.00 H new ATOM 334 N LEU A 27 -10.583 -0.702 10.081 1.00 0.00 N ATOM 335 CA LEU A 27 -10.776 0.618 9.492 1.00 0.00 C ATOM 336 C LEU A 27 -9.486 1.430 9.539 1.00 0.00 C ATOM 337 O LEU A 27 -9.023 1.819 10.612 1.00 0.00 O ATOM 338 CB LEU A 27 -11.891 1.367 10.225 1.00 0.00 C ATOM 339 CG LEU A 27 -11.926 2.883 10.025 1.00 0.00 C ATOM 340 CD1 LEU A 27 -12.549 3.229 8.681 1.00 0.00 C ATOM 341 CD2 LEU A 27 -12.689 3.553 11.157 1.00 0.00 C ATOM 0 H LEU A 27 -10.564 -0.710 11.101 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.061 0.485 8.448 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.849 0.956 9.905 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.798 1.164 11.292 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.902 3.256 10.035 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.566 4.312 8.556 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.961 2.780 7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.568 2.843 8.642 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.703 4.631 10.998 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.711 3.176 11.180 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.200 3.333 12.106 1.00 0.00 H new ATOM 353 N LEU A 28 -8.910 1.685 8.369 1.00 0.00 N ATOM 354 CA LEU A 28 -7.674 2.453 8.276 1.00 0.00 C ATOM 355 C LEU A 28 -7.964 3.950 8.240 1.00 0.00 C ATOM 356 O LEU A 28 -8.207 4.521 7.176 1.00 0.00 O ATOM 357 CB LEU A 28 -6.889 2.044 7.028 1.00 0.00 C ATOM 358 CG LEU A 28 -6.358 0.610 7.009 1.00 0.00 C ATOM 359 CD1 LEU A 28 -5.783 0.272 5.642 1.00 0.00 C ATOM 360 CD2 LEU A 28 -5.309 0.416 8.094 1.00 0.00 C ATOM 0 H LEU A 28 -9.280 1.371 7.472 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.075 2.239 9.161 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.530 2.184 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.045 2.724 6.915 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.188 -0.068 7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.410 -0.752 5.647 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.561 0.371 4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.965 0.955 5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.942 -0.610 8.066 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.480 1.103 7.925 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.753 0.616 9.069 1.00 0.00 H new ATOM 372 N LEU A 29 -7.936 4.581 9.409 1.00 0.00 N ATOM 373 CA LEU A 29 -8.194 6.013 9.512 1.00 0.00 C ATOM 374 C LEU A 29 -6.990 6.819 9.034 1.00 0.00 C ATOM 375 O LEU A 29 -5.863 6.325 9.028 1.00 0.00 O ATOM 376 CB LEU A 29 -8.533 6.388 10.956 1.00 0.00 C ATOM 377 CG LEU A 29 -10.009 6.298 11.344 1.00 0.00 C ATOM 378 CD1 LEU A 29 -10.170 6.390 12.853 1.00 0.00 C ATOM 379 CD2 LEU A 29 -10.810 7.391 10.652 1.00 0.00 C ATOM 0 H LEU A 29 -7.737 4.123 10.299 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.044 6.251 8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.963 5.740 11.622 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.193 7.408 11.135 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.393 5.332 11.017 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.227 6.324 13.111 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.629 5.571 13.327 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.769 7.341 13.204 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -11.858 7.312 10.940 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.425 8.367 10.948 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.721 7.279 9.571 1.00 0.00 H new ATOM 391 N VAL A 30 -7.238 8.063 8.636 1.00 0.00 N ATOM 392 CA VAL A 30 -6.174 8.939 8.160 1.00 0.00 C ATOM 393 C VAL A 30 -6.141 10.242 8.950 1.00 0.00 C ATOM 394 O VAL A 30 -7.175 10.732 9.405 1.00 0.00 O ATOM 395 CB VAL A 30 -6.341 9.262 6.663 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.018 9.712 6.063 1.00 0.00 C ATOM 397 CG2 VAL A 30 -6.894 8.058 5.917 1.00 0.00 C ATOM 0 H VAL A 30 -8.166 8.487 8.634 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.235 8.405 8.306 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.054 10.080 6.563 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.156 9.936 5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.669 10.606 6.580 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.280 8.918 6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.006 8.304 4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.208 7.218 6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.865 7.788 6.331 1.00 0.00 H new ATOM 407 N HIS A 31 -4.945 10.801 9.109 1.00 0.00 N ATOM 408 CA HIS A 31 -4.776 12.050 9.844 1.00 0.00 C ATOM 409 C HIS A 31 -3.981 13.060 9.022 1.00 0.00 C ATOM 410 O HIS A 31 -3.268 12.692 8.089 1.00 0.00 O ATOM 411 CB HIS A 31 -4.072 11.791 11.176 1.00 0.00 C ATOM 412 CG HIS A 31 -4.600 10.598 11.911 1.00 0.00 C ATOM 413 ND1 HIS A 31 -5.946 10.370 12.107 1.00 0.00 N ATOM 414 CD2 HIS A 31 -3.955 9.562 12.497 1.00 0.00 C ATOM 415 CE1 HIS A 31 -6.106 9.246 12.783 1.00 0.00 C ATOM 416 NE2 HIS A 31 -4.913 8.736 13.032 1.00 0.00 N ATOM 0 H HIS A 31 -4.079 10.409 8.739 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.765 12.465 10.040 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -3.006 11.652 10.993 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.175 12.672 11.809 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -6.700 10.975 11.781 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.886 9.413 12.536 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.051 8.817 13.081 1.00 0.00 H new ATOM 425 N ASN A 32 -4.110 14.335 9.376 1.00 0.00 N ATOM 426 CA ASN A 32 -3.404 15.399 8.670 1.00 0.00 C ATOM 427 C ASN A 32 -3.836 15.461 7.208 1.00 0.00 C ATOM 428 O ASN A 32 -3.085 15.922 6.347 1.00 0.00 O ATOM 429 CB ASN A 32 -1.892 15.181 8.758 1.00 0.00 C ATOM 430 CG ASN A 32 -1.329 15.576 10.109 1.00 0.00 C ATOM 431 OD1 ASN A 32 -1.397 16.739 10.507 1.00 0.00 O ATOM 432 ND2 ASN A 32 -0.767 14.607 10.822 1.00 0.00 N ATOM 0 H ASN A 32 -4.696 14.656 10.147 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.656 16.347 9.145 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.667 14.132 8.566 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.398 15.760 7.978 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.370 14.813 11.739 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.733 13.657 10.453 1.00 0.00 H new ATOM 439 N LEU A 33 -5.050 14.996 6.936 1.00 0.00 N ATOM 440 CA LEU A 33 -5.584 15.000 5.578 1.00 0.00 C ATOM 441 C LEU A 33 -5.447 16.380 4.943 1.00 0.00 C ATOM 442 O LEU A 33 -5.277 17.391 5.625 1.00 0.00 O ATOM 443 CB LEU A 33 -7.052 14.572 5.585 1.00 0.00 C ATOM 444 CG LEU A 33 -7.314 13.070 5.481 1.00 0.00 C ATOM 445 CD1 LEU A 33 -8.779 12.763 5.750 1.00 0.00 C ATOM 446 CD2 LEU A 33 -6.901 12.549 4.112 1.00 0.00 C ATOM 0 H LEU A 33 -5.683 14.611 7.637 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.008 14.289 4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.512 14.938 6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.558 15.067 4.756 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.713 12.564 6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.946 11.689 5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.043 13.099 6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.400 13.281 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.095 11.478 4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.474 13.062 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.838 12.734 3.958 1.00 0.00 H new ATOM 458 N PRO A 34 -5.525 16.427 3.605 1.00 0.00 N ATOM 459 CA PRO A 34 -5.415 17.677 2.848 1.00 0.00 C ATOM 460 C PRO A 34 -6.625 18.583 3.047 1.00 0.00 C ATOM 461 O PRO A 34 -7.533 18.261 3.812 1.00 0.00 O ATOM 462 CB PRO A 34 -5.333 17.206 1.394 1.00 0.00 C ATOM 463 CG PRO A 34 -6.012 15.880 1.387 1.00 0.00 C ATOM 464 CD PRO A 34 -5.726 15.261 2.727 1.00 0.00 C ATOM 0 HA PRO A 34 -4.559 18.272 3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.827 17.908 0.722 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.298 17.123 1.063 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.085 15.992 1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.635 15.253 0.579 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.554 14.639 3.068 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.842 14.625 2.695 1.00 0.00 H new ATOM 472 N GLN A 35 -6.630 19.717 2.354 1.00 0.00 N ATOM 473 CA GLN A 35 -7.730 20.670 2.456 1.00 0.00 C ATOM 474 C GLN A 35 -8.871 20.285 1.521 1.00 0.00 C ATOM 475 O GLN A 35 -10.014 20.128 1.952 1.00 0.00 O ATOM 476 CB GLN A 35 -7.241 22.082 2.130 1.00 0.00 C ATOM 477 CG GLN A 35 -6.660 22.217 0.732 1.00 0.00 C ATOM 478 CD GLN A 35 -5.807 23.460 0.572 1.00 0.00 C ATOM 479 OE1 GLN A 35 -6.086 24.500 1.169 1.00 0.00 O ATOM 480 NE2 GLN A 35 -4.759 23.358 -0.238 1.00 0.00 N ATOM 0 H GLN A 35 -5.886 19.999 1.716 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.102 20.650 3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.072 22.779 2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.484 22.373 2.859 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.058 21.337 0.506 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.473 22.243 0.006 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.565 22.476 -0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.148 24.161 -0.385 1.00 0.00 H new ATOM 489 N ASP A 36 -8.555 20.136 0.239 1.00 0.00 N ATOM 490 CA ASP A 36 -9.554 19.770 -0.757 1.00 0.00 C ATOM 491 C ASP A 36 -9.090 18.569 -1.576 1.00 0.00 C ATOM 492 O ASP A 36 -8.489 18.708 -2.641 1.00 0.00 O ATOM 493 CB ASP A 36 -9.841 20.953 -1.682 1.00 0.00 C ATOM 494 CG ASP A 36 -10.517 22.102 -0.960 1.00 0.00 C ATOM 495 OD1 ASP A 36 -10.186 22.336 0.221 1.00 0.00 O ATOM 496 OD2 ASP A 36 -11.376 22.767 -1.576 1.00 0.00 O ATOM 0 H ASP A 36 -7.614 20.263 -0.134 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.470 19.498 -0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.906 21.303 -2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.475 20.622 -2.505 1.00 0.00 H new ATOM 501 N PRO A 37 -9.373 17.361 -1.068 1.00 0.00 N ATOM 502 CA PRO A 37 -8.994 16.112 -1.735 1.00 0.00 C ATOM 503 C PRO A 37 -9.793 15.871 -3.011 1.00 0.00 C ATOM 504 O PRO A 37 -11.018 15.756 -2.975 1.00 0.00 O ATOM 505 CB PRO A 37 -9.316 15.039 -0.692 1.00 0.00 C ATOM 506 CG PRO A 37 -10.379 15.645 0.159 1.00 0.00 C ATOM 507 CD PRO A 37 -10.087 17.120 0.198 1.00 0.00 C ATOM 0 HA PRO A 37 -7.950 16.119 -2.050 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.663 14.120 -1.164 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.435 14.783 -0.103 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.368 15.454 -0.257 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.367 15.218 1.162 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.002 17.709 0.262 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.476 17.386 1.061 1.00 0.00 H new ATOM 515 N ARG A 38 -9.091 15.795 -4.138 1.00 0.00 N ATOM 516 CA ARG A 38 -9.736 15.568 -5.425 1.00 0.00 C ATOM 517 C ARG A 38 -10.235 14.130 -5.538 1.00 0.00 C ATOM 518 O ARG A 38 -11.218 13.855 -6.224 1.00 0.00 O ATOM 519 CB ARG A 38 -8.765 15.873 -6.567 1.00 0.00 C ATOM 520 CG ARG A 38 -9.446 16.384 -7.826 1.00 0.00 C ATOM 521 CD ARG A 38 -8.446 17.011 -8.785 1.00 0.00 C ATOM 522 NE ARG A 38 -9.068 18.013 -9.646 1.00 0.00 N ATOM 523 CZ ARG A 38 -9.726 17.717 -10.761 1.00 0.00 C ATOM 524 NH1 ARG A 38 -9.848 16.455 -11.148 1.00 0.00 N ATOM 525 NH2 ARG A 38 -10.265 18.685 -11.492 1.00 0.00 N ATOM 0 H ARG A 38 -8.076 15.887 -4.185 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.593 16.238 -5.496 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.042 16.615 -6.229 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.206 14.969 -6.808 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.961 15.561 -8.322 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.205 17.119 -7.558 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.639 17.472 -8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.997 16.232 -9.401 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.993 18.994 -9.376 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.436 15.708 -10.589 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.354 16.231 -12.005 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.174 19.657 -11.198 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.770 18.457 -12.348 1.00 0.00 H new ATOM 539 N GLY A 39 -9.548 13.216 -4.859 1.00 0.00 N ATOM 540 CA GLY A 39 -9.935 11.818 -4.896 1.00 0.00 C ATOM 541 C GLY A 39 -8.941 10.922 -4.185 1.00 0.00 C ATOM 542 O GLY A 39 -7.736 11.175 -4.213 1.00 0.00 O ATOM 0 H GLY A 39 -8.730 13.419 -4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.916 11.704 -4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.030 11.498 -5.934 1.00 0.00 H new ATOM 546 N TYR A 40 -9.445 9.872 -3.546 1.00 0.00 N ATOM 547 CA TYR A 40 -8.593 8.937 -2.821 1.00 0.00 C ATOM 548 C TYR A 40 -8.252 7.727 -3.686 1.00 0.00 C ATOM 549 O TYR A 40 -8.989 7.384 -4.610 1.00 0.00 O ATOM 550 CB TYR A 40 -9.280 8.480 -1.534 1.00 0.00 C ATOM 551 CG TYR A 40 -9.868 9.615 -0.726 1.00 0.00 C ATOM 552 CD1 TYR A 40 -9.059 10.625 -0.219 1.00 0.00 C ATOM 553 CD2 TYR A 40 -11.233 9.679 -0.471 1.00 0.00 C ATOM 554 CE1 TYR A 40 -9.592 11.663 0.520 1.00 0.00 C ATOM 555 CE2 TYR A 40 -11.774 10.714 0.266 1.00 0.00 C ATOM 556 CZ TYR A 40 -10.950 11.704 0.760 1.00 0.00 C ATOM 557 OH TYR A 40 -11.485 12.737 1.495 1.00 0.00 O ATOM 0 H TYR A 40 -10.439 9.647 -3.515 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.667 9.452 -2.567 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -10.073 7.775 -1.786 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.559 7.942 -0.918 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.996 10.598 -0.406 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.882 8.906 -0.856 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.949 12.439 0.908 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.837 10.748 0.455 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.394 12.503 1.775 1.00 0.00 H new ATOM 567 N ASN A 41 -7.131 7.084 -3.377 1.00 0.00 N ATOM 568 CA ASN A 41 -6.692 5.911 -4.125 1.00 0.00 C ATOM 569 C ASN A 41 -5.844 4.994 -3.250 1.00 0.00 C ATOM 570 O ASN A 41 -4.755 5.367 -2.814 1.00 0.00 O ATOM 571 CB ASN A 41 -5.893 6.337 -5.359 1.00 0.00 C ATOM 572 CG ASN A 41 -6.788 6.764 -6.507 1.00 0.00 C ATOM 573 OD1 ASN A 41 -7.566 5.967 -7.031 1.00 0.00 O ATOM 574 ND2 ASN A 41 -6.679 8.027 -6.904 1.00 0.00 N ATOM 0 H ASN A 41 -6.510 7.355 -2.614 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.578 5.362 -4.445 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.230 7.160 -5.093 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.261 5.510 -5.683 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.254 8.371 -7.673 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.020 8.652 -6.440 1.00 0.00 H new ATOM 581 N TRP A 42 -6.351 3.793 -2.997 1.00 0.00 N ATOM 582 CA TRP A 42 -5.641 2.821 -2.173 1.00 0.00 C ATOM 583 C TRP A 42 -4.939 1.782 -3.041 1.00 0.00 C ATOM 584 O TRP A 42 -5.304 1.578 -4.199 1.00 0.00 O ATOM 585 CB TRP A 42 -6.610 2.130 -1.212 1.00 0.00 C ATOM 586 CG TRP A 42 -7.041 3.005 -0.074 1.00 0.00 C ATOM 587 CD1 TRP A 42 -8.069 3.904 -0.075 1.00 0.00 C ATOM 588 CD2 TRP A 42 -6.456 3.063 1.231 1.00 0.00 C ATOM 589 NE1 TRP A 42 -8.157 4.519 1.151 1.00 0.00 N ATOM 590 CE2 TRP A 42 -7.179 4.020 1.970 1.00 0.00 C ATOM 591 CE3 TRP A 42 -5.392 2.400 1.849 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -6.871 4.328 3.292 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.087 2.707 3.161 1.00 0.00 C ATOM 594 CH2 TRP A 42 -5.825 3.663 3.872 1.00 0.00 C ATOM 0 H TRP A 42 -7.251 3.469 -3.350 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.887 3.355 -1.595 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.491 1.806 -1.766 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.137 1.233 -0.813 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.717 4.103 -0.916 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.840 5.231 1.409 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.818 1.661 1.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.438 5.066 3.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.266 2.202 3.647 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.563 3.879 4.897 1.00 0.00 H new ATOM 605 N TYR A 43 -3.931 1.128 -2.475 1.00 0.00 N ATOM 606 CA TYR A 43 -3.177 0.112 -3.198 1.00 0.00 C ATOM 607 C TYR A 43 -2.714 -0.996 -2.257 1.00 0.00 C ATOM 608 O TYR A 43 -2.749 -0.845 -1.036 1.00 0.00 O ATOM 609 CB TYR A 43 -1.969 0.741 -3.894 1.00 0.00 C ATOM 610 CG TYR A 43 -2.333 1.864 -4.840 1.00 0.00 C ATOM 611 CD1 TYR A 43 -2.536 3.156 -4.369 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.474 1.634 -6.202 1.00 0.00 C ATOM 613 CE1 TYR A 43 -2.869 4.185 -5.229 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.806 2.657 -7.069 1.00 0.00 C ATOM 615 CZ TYR A 43 -3.002 3.930 -6.578 1.00 0.00 C ATOM 616 OH TYR A 43 -3.334 4.952 -7.438 1.00 0.00 O ATOM 0 H TYR A 43 -3.617 1.284 -1.517 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.835 -0.325 -3.950 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.282 1.122 -3.138 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.436 -0.032 -4.448 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.432 3.359 -3.313 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.321 0.638 -6.590 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.024 5.183 -4.847 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.911 2.460 -8.126 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.912 5.783 -7.136 1.00 0.00 H new ATOM 626 N LYS A 44 -2.281 -2.112 -2.835 1.00 0.00 N ATOM 627 CA LYS A 44 -1.809 -3.247 -2.050 1.00 0.00 C ATOM 628 C LYS A 44 -0.290 -3.366 -2.126 1.00 0.00 C ATOM 629 O LYS A 44 0.253 -3.895 -3.095 1.00 0.00 O ATOM 630 CB LYS A 44 -2.458 -4.541 -2.546 1.00 0.00 C ATOM 631 CG LYS A 44 -2.349 -5.692 -1.561 1.00 0.00 C ATOM 632 CD LYS A 44 -3.513 -6.658 -1.701 1.00 0.00 C ATOM 633 CE LYS A 44 -4.756 -6.139 -0.994 1.00 0.00 C ATOM 634 NZ LYS A 44 -5.788 -7.200 -0.836 1.00 0.00 N ATOM 0 H LYS A 44 -2.247 -2.255 -3.844 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.092 -3.081 -1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.511 -4.352 -2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.992 -4.834 -3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.412 -6.224 -1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.320 -5.300 -0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.732 -6.814 -2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.235 -7.627 -1.286 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.481 -5.751 -0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.175 -5.307 -1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.619 -6.806 -0.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.070 -7.553 -1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.397 -7.983 -0.274 1.00 0.00 H new ATOM 648 N GLY A 45 0.390 -2.872 -1.096 1.00 0.00 N ATOM 649 CA GLY A 45 1.840 -2.935 -1.065 1.00 0.00 C ATOM 650 C GLY A 45 2.471 -1.600 -0.722 1.00 0.00 C ATOM 651 O GLY A 45 1.845 -0.758 -0.079 1.00 0.00 O ATOM 0 H GLY A 45 -0.037 -2.429 -0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.153 -3.680 -0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.207 -3.268 -2.036 1.00 0.00 H new ATOM 655 N GLU A 46 3.714 -1.407 -1.152 1.00 0.00 N ATOM 656 CA GLU A 46 4.431 -0.165 -0.883 1.00 0.00 C ATOM 657 C GLU A 46 4.690 0.603 -2.176 1.00 0.00 C ATOM 658 O GLU A 46 5.698 1.298 -2.307 1.00 0.00 O ATOM 659 CB GLU A 46 5.756 -0.458 -0.176 1.00 0.00 C ATOM 660 CG GLU A 46 5.587 -1.009 1.230 1.00 0.00 C ATOM 661 CD GLU A 46 6.909 -1.376 1.875 1.00 0.00 C ATOM 662 OE1 GLU A 46 7.648 -2.196 1.290 1.00 0.00 O ATOM 663 OE2 GLU A 46 7.205 -0.843 2.965 1.00 0.00 O ATOM 0 H GLU A 46 4.245 -2.094 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 46 3.810 0.451 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.325 -1.172 -0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.344 0.459 -0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.079 -0.269 1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.946 -1.890 1.196 1.00 0.00 H new ATOM 670 N THR A 47 3.772 0.473 -3.129 1.00 0.00 N ATOM 671 CA THR A 47 3.901 1.153 -4.412 1.00 0.00 C ATOM 672 C THR A 47 2.537 1.559 -4.958 1.00 0.00 C ATOM 673 O THR A 47 1.568 0.807 -4.856 1.00 0.00 O ATOM 674 CB THR A 47 4.614 0.265 -5.449 1.00 0.00 C ATOM 675 OG1 THR A 47 4.013 -1.034 -5.477 1.00 0.00 O ATOM 676 CG2 THR A 47 6.095 0.138 -5.126 1.00 0.00 C ATOM 0 H THR A 47 2.931 -0.097 -3.036 1.00 0.00 H new ATOM 0 HA THR A 47 4.500 2.047 -4.238 1.00 0.00 H new ATOM 0 HB THR A 47 4.511 0.733 -6.428 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.471 -1.592 -6.140 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.577 -0.494 -5.872 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.555 1.126 -5.135 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.215 -0.310 -4.139 1.00 0.00 H new ATOM 684 N VAL A 48 2.469 2.752 -5.540 1.00 0.00 N ATOM 685 CA VAL A 48 1.223 3.257 -6.105 1.00 0.00 C ATOM 686 C VAL A 48 1.109 2.906 -7.585 1.00 0.00 C ATOM 687 O VAL A 48 1.023 3.790 -8.438 1.00 0.00 O ATOM 688 CB VAL A 48 1.111 4.784 -5.941 1.00 0.00 C ATOM 689 CG1 VAL A 48 -0.168 5.298 -6.585 1.00 0.00 C ATOM 690 CG2 VAL A 48 1.167 5.167 -4.470 1.00 0.00 C ATOM 0 H VAL A 48 3.262 3.387 -5.633 1.00 0.00 H new ATOM 0 HA VAL A 48 0.410 2.780 -5.557 1.00 0.00 H new ATOM 0 HB VAL A 48 1.957 5.249 -6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.230 6.379 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.163 5.056 -7.648 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.029 4.828 -6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.087 6.250 -4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.342 4.693 -3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.113 4.834 -4.043 1.00 0.00 H new ATOM 700 N ASP A 49 1.109 1.611 -7.882 1.00 0.00 N ATOM 701 CA ASP A 49 1.003 1.143 -9.259 1.00 0.00 C ATOM 702 C ASP A 49 -0.418 0.684 -9.569 1.00 0.00 C ATOM 703 O ASP A 49 -1.083 0.080 -8.728 1.00 0.00 O ATOM 704 CB ASP A 49 1.988 -0.001 -9.508 1.00 0.00 C ATOM 705 CG ASP A 49 2.403 -0.101 -10.962 1.00 0.00 C ATOM 706 OD1 ASP A 49 1.621 0.335 -11.834 1.00 0.00 O ATOM 707 OD2 ASP A 49 3.509 -0.615 -11.229 1.00 0.00 O ATOM 0 H ASP A 49 1.181 0.867 -7.188 1.00 0.00 H new ATOM 0 HA ASP A 49 1.249 1.974 -9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.874 0.145 -8.890 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.534 -0.942 -9.197 1.00 0.00 H new ATOM 712 N ALA A 50 -0.877 0.975 -10.782 1.00 0.00 N ATOM 713 CA ALA A 50 -2.218 0.591 -11.204 1.00 0.00 C ATOM 714 C ALA A 50 -2.443 -0.906 -11.024 1.00 0.00 C ATOM 715 O ALA A 50 -3.561 -1.349 -10.760 1.00 0.00 O ATOM 716 CB ALA A 50 -2.451 0.991 -12.653 1.00 0.00 C ATOM 0 H ALA A 50 -0.339 1.476 -11.490 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.934 1.118 -10.574 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.457 0.698 -12.954 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.342 2.071 -12.754 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.721 0.491 -13.290 1.00 0.00 H new ATOM 722 N ASN A 51 -1.374 -1.682 -11.168 1.00 0.00 N ATOM 723 CA ASN A 51 -1.455 -3.131 -11.023 1.00 0.00 C ATOM 724 C ASN A 51 -1.830 -3.514 -9.594 1.00 0.00 C ATOM 725 O ASN A 51 -2.515 -4.512 -9.368 1.00 0.00 O ATOM 726 CB ASN A 51 -0.122 -3.778 -11.403 1.00 0.00 C ATOM 727 CG ASN A 51 0.245 -3.536 -12.855 1.00 0.00 C ATOM 728 OD1 ASN A 51 -0.207 -4.251 -13.749 1.00 0.00 O ATOM 729 ND2 ASN A 51 1.069 -2.523 -13.095 1.00 0.00 N ATOM 0 H ASN A 51 -0.441 -1.332 -11.385 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.232 -3.496 -11.694 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.666 -3.384 -10.761 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.176 -4.851 -11.219 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.352 -2.311 -14.052 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.419 -1.956 -12.322 1.00 0.00 H new ATOM 736 N ARG A 52 -1.377 -2.714 -8.635 1.00 0.00 N ATOM 737 CA ARG A 52 -1.663 -2.969 -7.228 1.00 0.00 C ATOM 738 C ARG A 52 -2.732 -2.011 -6.709 1.00 0.00 C ATOM 739 O ARG A 52 -2.804 -1.737 -5.511 1.00 0.00 O ATOM 740 CB ARG A 52 -0.390 -2.831 -6.393 1.00 0.00 C ATOM 741 CG ARG A 52 0.734 -3.753 -6.839 1.00 0.00 C ATOM 742 CD ARG A 52 0.534 -5.168 -6.319 1.00 0.00 C ATOM 743 NE ARG A 52 1.782 -5.926 -6.301 1.00 0.00 N ATOM 744 CZ ARG A 52 2.688 -5.827 -5.336 1.00 0.00 C ATOM 745 NH1 ARG A 52 2.486 -5.007 -4.314 1.00 0.00 N ATOM 746 NH2 ARG A 52 3.799 -6.551 -5.390 1.00 0.00 N ATOM 0 H ARG A 52 -0.810 -1.883 -8.806 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.038 -3.988 -7.138 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.043 -1.799 -6.443 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.626 -3.038 -5.349 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.783 -3.768 -7.928 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.688 -3.365 -6.482 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.119 -5.129 -5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.195 -5.684 -6.944 1.00 0.00 H new ATOM 0 HE ARG A 52 1.968 -6.567 -7.072 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.633 -4.450 -4.268 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.184 -4.933 -3.574 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.957 -7.184 -6.174 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.494 -6.474 -4.648 1.00 0.00 H new ATOM 760 N ARG A 53 -3.558 -1.505 -7.618 1.00 0.00 N ATOM 761 CA ARG A 53 -4.621 -0.577 -7.252 1.00 0.00 C ATOM 762 C ARG A 53 -5.836 -1.326 -6.715 1.00 0.00 C ATOM 763 O ARG A 53 -6.520 -2.033 -7.457 1.00 0.00 O ATOM 764 CB ARG A 53 -5.024 0.272 -8.460 1.00 0.00 C ATOM 765 CG ARG A 53 -6.133 1.268 -8.161 1.00 0.00 C ATOM 766 CD ARG A 53 -6.446 2.132 -9.372 1.00 0.00 C ATOM 767 NE ARG A 53 -7.702 2.861 -9.214 1.00 0.00 N ATOM 768 CZ ARG A 53 -8.263 3.576 -10.183 1.00 0.00 C ATOM 769 NH1 ARG A 53 -7.684 3.658 -11.372 1.00 0.00 N ATOM 770 NH2 ARG A 53 -9.407 4.211 -9.962 1.00 0.00 N ATOM 0 H ARG A 53 -3.512 -1.722 -8.614 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.243 0.077 -6.466 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.149 0.813 -8.822 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.347 -0.387 -9.266 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.031 0.733 -7.853 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.838 1.903 -7.326 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.633 2.840 -9.532 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.501 1.504 -10.261 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.174 2.819 -8.311 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.805 3.171 -11.546 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.118 4.208 -12.114 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.856 4.150 -9.048 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.838 4.760 -10.706 1.00 0.00 H new ATOM 784 N ILE A 54 -6.099 -1.168 -5.422 1.00 0.00 N ATOM 785 CA ILE A 54 -7.232 -1.829 -4.787 1.00 0.00 C ATOM 786 C ILE A 54 -8.549 -1.182 -5.201 1.00 0.00 C ATOM 787 O ILE A 54 -9.434 -1.844 -5.744 1.00 0.00 O ATOM 788 CB ILE A 54 -7.116 -1.792 -3.251 1.00 0.00 C ATOM 789 CG1 ILE A 54 -5.788 -2.405 -2.804 1.00 0.00 C ATOM 790 CG2 ILE A 54 -8.286 -2.528 -2.614 1.00 0.00 C ATOM 791 CD1 ILE A 54 -5.431 -2.092 -1.368 1.00 0.00 C ATOM 0 H ILE A 54 -5.543 -0.588 -4.794 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.219 -2.867 -5.120 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.144 -0.753 -2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.836 -3.487 -2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.992 -2.043 -3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.190 -2.493 -1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.220 -2.052 -2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.286 -3.566 -2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.478 -2.559 -1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.351 -1.013 -1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.207 -2.479 -0.708 1.00 0.00 H new ATOM 803 N ILE A 55 -8.672 0.116 -4.943 1.00 0.00 N ATOM 804 CA ILE A 55 -9.880 0.853 -5.292 1.00 0.00 C ATOM 805 C ILE A 55 -9.628 2.356 -5.286 1.00 0.00 C ATOM 806 O ILE A 55 -8.913 2.873 -4.428 1.00 0.00 O ATOM 807 CB ILE A 55 -11.034 0.533 -4.323 1.00 0.00 C ATOM 808 CG1 ILE A 55 -12.363 1.028 -4.898 1.00 0.00 C ATOM 809 CG2 ILE A 55 -10.773 1.161 -2.963 1.00 0.00 C ATOM 810 CD1 ILE A 55 -13.558 0.225 -4.434 1.00 0.00 C ATOM 0 H ILE A 55 -7.950 0.679 -4.493 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.162 0.539 -6.297 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.094 -0.548 -4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.505 2.071 -4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.314 0.995 -5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.597 0.926 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.844 0.765 -2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.690 2.242 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -14.465 0.632 -4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -13.438 -0.815 -4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -13.633 0.279 -3.348 1.00 0.00 H new ATOM 822 N GLY A 56 -10.222 3.055 -6.249 1.00 0.00 N ATOM 823 CA GLY A 56 -10.051 4.493 -6.335 1.00 0.00 C ATOM 824 C GLY A 56 -11.373 5.232 -6.401 1.00 0.00 C ATOM 825 O GLY A 56 -12.288 4.818 -7.114 1.00 0.00 O ATOM 0 H GLY A 56 -10.818 2.651 -6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.487 4.841 -5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.460 4.733 -7.219 1.00 0.00 H new ATOM 829 N TYR A 57 -11.476 6.326 -5.656 1.00 0.00 N ATOM 830 CA TYR A 57 -12.698 7.121 -5.629 1.00 0.00 C ATOM 831 C TYR A 57 -12.401 8.586 -5.935 1.00 0.00 C ATOM 832 O TYR A 57 -11.363 9.117 -5.541 1.00 0.00 O ATOM 833 CB TYR A 57 -13.380 7.001 -4.265 1.00 0.00 C ATOM 834 CG TYR A 57 -14.459 8.035 -4.035 1.00 0.00 C ATOM 835 CD1 TYR A 57 -15.645 8.003 -4.758 1.00 0.00 C ATOM 836 CD2 TYR A 57 -14.292 9.045 -3.096 1.00 0.00 C ATOM 837 CE1 TYR A 57 -16.633 8.946 -4.552 1.00 0.00 C ATOM 838 CE2 TYR A 57 -15.275 9.991 -2.881 1.00 0.00 C ATOM 839 CZ TYR A 57 -16.444 9.937 -3.612 1.00 0.00 C ATOM 840 OH TYR A 57 -17.425 10.879 -3.403 1.00 0.00 O ATOM 0 H TYR A 57 -10.728 6.683 -5.062 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.369 6.737 -6.398 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.816 6.006 -4.172 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.627 7.093 -3.482 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.797 7.227 -5.494 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.377 9.091 -2.524 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.548 8.907 -5.124 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -15.130 10.768 -2.145 1.00 0.00 H new ATOM 0 HH TYR A 57 -17.135 11.505 -2.707 1.00 0.00 H new ATOM 850 N VAL A 58 -13.322 9.235 -6.641 1.00 0.00 N ATOM 851 CA VAL A 58 -13.161 10.639 -6.999 1.00 0.00 C ATOM 852 C VAL A 58 -14.274 11.490 -6.398 1.00 0.00 C ATOM 853 O VAL A 58 -15.426 11.417 -6.827 1.00 0.00 O ATOM 854 CB VAL A 58 -13.152 10.831 -8.528 1.00 0.00 C ATOM 855 CG1 VAL A 58 -12.768 12.259 -8.884 1.00 0.00 C ATOM 856 CG2 VAL A 58 -12.207 9.836 -9.183 1.00 0.00 C ATOM 0 H VAL A 58 -14.187 8.811 -6.976 1.00 0.00 H new ATOM 0 HA VAL A 58 -12.202 10.961 -6.594 1.00 0.00 H new ATOM 0 HB VAL A 58 -14.157 10.646 -8.907 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.767 12.376 -9.968 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.488 12.950 -8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.773 12.476 -8.495 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.213 9.985 -10.263 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -11.197 9.987 -8.801 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.533 8.821 -8.955 1.00 0.00 H new ATOM 866 N ILE A 59 -13.922 12.297 -5.402 1.00 0.00 N ATOM 867 CA ILE A 59 -14.891 13.163 -4.743 1.00 0.00 C ATOM 868 C ILE A 59 -15.451 14.199 -5.712 1.00 0.00 C ATOM 869 O ILE A 59 -16.575 14.674 -5.548 1.00 0.00 O ATOM 870 CB ILE A 59 -14.268 13.889 -3.536 1.00 0.00 C ATOM 871 CG1 ILE A 59 -13.782 12.875 -2.499 1.00 0.00 C ATOM 872 CG2 ILE A 59 -15.274 14.848 -2.917 1.00 0.00 C ATOM 873 CD1 ILE A 59 -12.593 13.354 -1.696 1.00 0.00 C ATOM 0 H ILE A 59 -12.973 12.369 -5.034 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.700 12.522 -4.393 1.00 0.00 H new ATOM 0 HB ILE A 59 -13.411 14.467 -3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -14.601 12.644 -1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -13.518 11.947 -3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.819 15.353 -2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.576 15.587 -3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.149 14.291 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -12.303 12.584 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -11.759 13.558 -2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -12.859 14.265 -1.160 1.00 0.00 H new ATOM 885 N SER A 60 -14.659 14.545 -6.722 1.00 0.00 N ATOM 886 CA SER A 60 -15.074 15.527 -7.717 1.00 0.00 C ATOM 887 C SER A 60 -16.208 14.981 -8.579 1.00 0.00 C ATOM 888 O SER A 60 -17.210 15.657 -8.808 1.00 0.00 O ATOM 889 CB SER A 60 -13.890 15.920 -8.602 1.00 0.00 C ATOM 890 OG SER A 60 -14.315 16.696 -9.708 1.00 0.00 O ATOM 0 H SER A 60 -13.727 14.160 -6.873 1.00 0.00 H new ATOM 0 HA SER A 60 -15.434 16.411 -7.190 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.165 16.484 -8.015 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.384 15.022 -8.957 1.00 0.00 H new ATOM 0 HG SER A 60 -13.539 16.935 -10.257 1.00 0.00 H new ATOM 896 N ASN A 61 -16.042 13.751 -9.055 1.00 0.00 N ATOM 897 CA ASN A 61 -17.050 13.112 -9.893 1.00 0.00 C ATOM 898 C ASN A 61 -17.765 12.000 -9.131 1.00 0.00 C ATOM 899 O ASN A 61 -18.458 11.175 -9.725 1.00 0.00 O ATOM 900 CB ASN A 61 -16.407 12.546 -11.160 1.00 0.00 C ATOM 901 CG ASN A 61 -17.432 12.001 -12.135 1.00 0.00 C ATOM 902 OD1 ASN A 61 -18.454 12.636 -12.398 1.00 0.00 O ATOM 903 ND2 ASN A 61 -17.163 10.819 -12.678 1.00 0.00 N ATOM 0 H ASN A 61 -15.218 13.177 -8.874 1.00 0.00 H new ATOM 0 HA ASN A 61 -17.785 13.867 -10.174 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.824 13.327 -11.648 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.711 11.753 -10.888 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -17.816 10.402 -13.342 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -16.304 10.328 -12.431 1.00 0.00 H new ATOM 910 N GLN A 62 -17.591 11.986 -7.814 1.00 0.00 N ATOM 911 CA GLN A 62 -18.220 10.975 -6.971 1.00 0.00 C ATOM 912 C GLN A 62 -18.309 9.638 -7.700 1.00 0.00 C ATOM 913 O GLN A 62 -19.351 8.985 -7.690 1.00 0.00 O ATOM 914 CB GLN A 62 -19.616 11.432 -6.546 1.00 0.00 C ATOM 915 CG GLN A 62 -19.608 12.420 -5.391 1.00 0.00 C ATOM 916 CD GLN A 62 -20.963 12.552 -4.726 1.00 0.00 C ATOM 917 OE1 GLN A 62 -21.885 11.787 -5.012 1.00 0.00 O ATOM 918 NE2 GLN A 62 -21.092 13.525 -3.831 1.00 0.00 N ATOM 0 H GLN A 62 -17.020 12.663 -7.307 1.00 0.00 H new ATOM 0 HA GLN A 62 -17.603 10.843 -6.082 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -20.115 11.889 -7.400 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -20.204 10.559 -6.262 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -18.874 12.102 -4.651 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.290 13.397 -5.756 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.302 14.136 -3.624 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -21.981 13.661 -3.350 1.00 0.00 H new ATOM 927 N GLN A 63 -17.209 9.239 -8.331 1.00 0.00 N ATOM 928 CA GLN A 63 -17.165 7.981 -9.065 1.00 0.00 C ATOM 929 C GLN A 63 -16.234 6.984 -8.382 1.00 0.00 C ATOM 930 O GLN A 63 -15.263 7.372 -7.733 1.00 0.00 O ATOM 931 CB GLN A 63 -16.705 8.221 -10.504 1.00 0.00 C ATOM 932 CG GLN A 63 -16.305 6.950 -11.236 1.00 0.00 C ATOM 933 CD GLN A 63 -17.422 5.926 -11.279 1.00 0.00 C ATOM 934 OE1 GLN A 63 -18.585 6.248 -11.037 1.00 0.00 O ATOM 935 NE2 GLN A 63 -17.073 4.682 -11.587 1.00 0.00 N ATOM 0 H GLN A 63 -16.337 9.769 -8.348 1.00 0.00 H new ATOM 0 HA GLN A 63 -18.171 7.562 -9.077 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.507 8.711 -11.056 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -15.858 8.907 -10.496 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -16.007 7.200 -12.254 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.434 6.512 -10.747 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.097 4.459 -11.780 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.781 3.949 -11.630 1.00 0.00 H new ATOM 944 N ILE A 64 -16.538 5.699 -8.532 1.00 0.00 N ATOM 945 CA ILE A 64 -15.729 4.648 -7.930 1.00 0.00 C ATOM 946 C ILE A 64 -15.292 3.624 -8.972 1.00 0.00 C ATOM 947 O ILE A 64 -16.124 2.980 -9.613 1.00 0.00 O ATOM 948 CB ILE A 64 -16.492 3.924 -6.805 1.00 0.00 C ATOM 949 CG1 ILE A 64 -16.927 4.922 -5.730 1.00 0.00 C ATOM 950 CG2 ILE A 64 -15.628 2.828 -6.199 1.00 0.00 C ATOM 951 CD1 ILE A 64 -17.919 4.352 -4.741 1.00 0.00 C ATOM 0 H ILE A 64 -17.339 5.361 -9.066 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.848 5.132 -7.508 1.00 0.00 H new ATOM 0 HB ILE A 64 -17.384 3.464 -7.229 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -16.046 5.268 -5.190 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -17.368 5.794 -6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -16.181 2.326 -5.405 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -15.363 2.105 -6.971 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.720 3.267 -5.786 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.182 5.115 -4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.817 4.032 -5.270 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.474 3.498 -4.231 1.00 0.00 H new ATOM 963 N THR A 65 -13.981 3.477 -9.137 1.00 0.00 N ATOM 964 CA THR A 65 -13.433 2.531 -10.101 1.00 0.00 C ATOM 965 C THR A 65 -12.417 1.603 -9.445 1.00 0.00 C ATOM 966 O THR A 65 -11.248 1.948 -9.270 1.00 0.00 O ATOM 967 CB THR A 65 -12.761 3.258 -11.281 1.00 0.00 C ATOM 968 OG1 THR A 65 -13.613 4.304 -11.762 1.00 0.00 O ATOM 969 CG2 THR A 65 -12.455 2.287 -12.411 1.00 0.00 C ATOM 0 H THR A 65 -13.279 4.001 -8.615 1.00 0.00 H new ATOM 0 HA THR A 65 -14.270 1.941 -10.476 1.00 0.00 H new ATOM 0 HB THR A 65 -11.823 3.687 -10.928 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.178 4.762 -12.511 1.00 0.00 H new ATOM 0 HG21 THR A 65 -11.981 2.823 -13.233 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.783 1.509 -12.050 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.382 1.832 -12.761 1.00 0.00 H new ATOM 977 N PRO A 66 -12.870 0.397 -9.073 1.00 0.00 N ATOM 978 CA PRO A 66 -12.015 -0.606 -8.432 1.00 0.00 C ATOM 979 C PRO A 66 -10.978 -1.182 -9.390 1.00 0.00 C ATOM 980 O PRO A 66 -11.166 -1.168 -10.605 1.00 0.00 O ATOM 981 CB PRO A 66 -13.005 -1.691 -8.000 1.00 0.00 C ATOM 982 CG PRO A 66 -14.156 -1.548 -8.934 1.00 0.00 C ATOM 983 CD PRO A 66 -14.252 -0.081 -9.252 1.00 0.00 C ATOM 0 HA PRO A 66 -11.438 -0.184 -7.609 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.560 -2.683 -8.070 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.316 -1.553 -6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.999 -2.134 -9.840 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.077 -1.909 -8.476 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.607 0.088 -10.269 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.944 0.431 -8.583 1.00 0.00 H new ATOM 991 N GLY A 67 -9.882 -1.689 -8.833 1.00 0.00 N ATOM 992 CA GLY A 67 -8.831 -2.262 -9.653 1.00 0.00 C ATOM 993 C GLY A 67 -8.811 -3.777 -9.593 1.00 0.00 C ATOM 994 O GLY A 67 -9.782 -4.417 -9.189 1.00 0.00 O ATOM 0 H GLY A 67 -9.704 -1.713 -7.829 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.967 -1.944 -10.687 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.866 -1.875 -9.324 1.00 0.00 H new ATOM 998 N PRO A 68 -7.682 -4.374 -10.005 1.00 0.00 N ATOM 999 CA PRO A 68 -7.513 -5.830 -10.007 1.00 0.00 C ATOM 1000 C PRO A 68 -7.419 -6.405 -8.597 1.00 0.00 C ATOM 1001 O PRO A 68 -7.823 -7.542 -8.352 1.00 0.00 O ATOM 1002 CB PRO A 68 -6.193 -6.033 -10.755 1.00 0.00 C ATOM 1003 CG PRO A 68 -5.446 -4.760 -10.557 1.00 0.00 C ATOM 1004 CD PRO A 68 -6.485 -3.674 -10.499 1.00 0.00 C ATOM 0 HA PRO A 68 -8.362 -6.338 -10.465 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.639 -6.883 -10.357 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.364 -6.231 -11.813 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.861 -4.790 -9.638 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.746 -4.587 -11.375 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.186 -2.867 -9.830 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.656 -3.228 -11.479 1.00 0.00 H new ATOM 1012 N ALA A 69 -6.885 -5.612 -7.674 1.00 0.00 N ATOM 1013 CA ALA A 69 -6.741 -6.042 -6.289 1.00 0.00 C ATOM 1014 C ALA A 69 -8.027 -5.804 -5.504 1.00 0.00 C ATOM 1015 O ALA A 69 -7.997 -5.613 -4.288 1.00 0.00 O ATOM 1016 CB ALA A 69 -5.577 -5.317 -5.630 1.00 0.00 C ATOM 0 H ALA A 69 -6.545 -4.669 -7.860 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.537 -7.113 -6.286 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.481 -5.648 -4.596 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.657 -5.541 -6.170 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.758 -4.242 -5.652 1.00 0.00 H new ATOM 1022 N TYR A 70 -9.154 -5.817 -6.206 1.00 0.00 N ATOM 1023 CA TYR A 70 -10.450 -5.600 -5.575 1.00 0.00 C ATOM 1024 C TYR A 70 -11.274 -6.883 -5.567 1.00 0.00 C ATOM 1025 O TYR A 70 -11.319 -7.612 -6.558 1.00 0.00 O ATOM 1026 CB TYR A 70 -11.216 -4.493 -6.303 1.00 0.00 C ATOM 1027 CG TYR A 70 -12.445 -4.019 -5.561 1.00 0.00 C ATOM 1028 CD1 TYR A 70 -12.335 -3.364 -4.341 1.00 0.00 C ATOM 1029 CD2 TYR A 70 -13.717 -4.225 -6.081 1.00 0.00 C ATOM 1030 CE1 TYR A 70 -13.455 -2.929 -3.659 1.00 0.00 C ATOM 1031 CE2 TYR A 70 -14.843 -3.792 -5.407 1.00 0.00 C ATOM 1032 CZ TYR A 70 -14.707 -3.146 -4.196 1.00 0.00 C ATOM 1033 OH TYR A 70 -15.825 -2.713 -3.521 1.00 0.00 O ATOM 0 H TYR A 70 -9.196 -5.976 -7.213 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.277 -5.295 -4.543 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.549 -3.646 -6.463 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.513 -4.855 -7.287 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.356 -3.192 -3.918 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.828 -4.732 -7.028 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.351 -2.422 -2.711 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -15.824 -3.959 -5.826 1.00 0.00 H new ATOM 0 HH TYR A 70 -16.627 -2.943 -4.035 1.00 0.00 H new ATOM 1043 N SER A 71 -11.927 -7.153 -4.441 1.00 0.00 N ATOM 1044 CA SER A 71 -12.748 -8.350 -4.301 1.00 0.00 C ATOM 1045 C SER A 71 -14.106 -8.009 -3.694 1.00 0.00 C ATOM 1046 O SER A 71 -14.824 -8.889 -3.221 1.00 0.00 O ATOM 1047 CB SER A 71 -12.033 -9.385 -3.430 1.00 0.00 C ATOM 1048 OG SER A 71 -12.513 -10.692 -3.693 1.00 0.00 O ATOM 0 H SER A 71 -11.903 -6.559 -3.612 1.00 0.00 H new ATOM 0 HA SER A 71 -12.908 -8.769 -5.294 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.960 -9.344 -3.617 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.182 -9.144 -2.377 1.00 0.00 H new ATOM 0 HG SER A 71 -13.492 -10.698 -3.640 1.00 0.00 H new ATOM 1054 N ASN A 72 -14.450 -6.726 -3.713 1.00 0.00 N ATOM 1055 CA ASN A 72 -15.721 -6.267 -3.164 1.00 0.00 C ATOM 1056 C ASN A 72 -15.760 -6.454 -1.651 1.00 0.00 C ATOM 1057 O ASN A 72 -16.788 -6.831 -1.087 1.00 0.00 O ATOM 1058 CB ASN A 72 -16.882 -7.024 -3.813 1.00 0.00 C ATOM 1059 CG ASN A 72 -18.169 -6.222 -3.807 1.00 0.00 C ATOM 1060 OD1 ASN A 72 -18.595 -5.717 -2.768 1.00 0.00 O ATOM 1061 ND2 ASN A 72 -18.796 -6.101 -4.972 1.00 0.00 N ATOM 0 H ASN A 72 -13.867 -5.985 -4.102 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.820 -5.204 -3.383 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.619 -7.276 -4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.040 -7.964 -3.284 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -19.667 -5.573 -5.030 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -18.407 -6.536 -5.808 1.00 0.00 H new ATOM 1068 N ARG A 73 -14.633 -6.188 -0.998 1.00 0.00 N ATOM 1069 CA ARG A 73 -14.538 -6.327 0.450 1.00 0.00 C ATOM 1070 C ARG A 73 -14.129 -5.007 1.097 1.00 0.00 C ATOM 1071 O ARG A 73 -14.494 -4.726 2.239 1.00 0.00 O ATOM 1072 CB ARG A 73 -13.530 -7.419 0.813 1.00 0.00 C ATOM 1073 CG ARG A 73 -13.968 -8.815 0.400 1.00 0.00 C ATOM 1074 CD ARG A 73 -13.188 -9.887 1.145 1.00 0.00 C ATOM 1075 NE ARG A 73 -11.760 -9.834 0.843 1.00 0.00 N ATOM 1076 CZ ARG A 73 -10.825 -10.375 1.616 1.00 0.00 C ATOM 1077 NH1 ARG A 73 -11.166 -11.007 2.731 1.00 0.00 N ATOM 1078 NH2 ARG A 73 -9.546 -10.285 1.274 1.00 0.00 N ATOM 0 H ARG A 73 -13.773 -5.875 -1.449 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.521 -6.608 0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.575 -7.192 0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.363 -7.404 1.890 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.033 -8.936 0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.825 -8.940 -0.673 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.336 -9.764 2.218 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.578 -10.870 0.880 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.465 -9.355 -0.008 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.148 -11.079 2.997 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.446 -11.422 3.323 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.280 -9.800 0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.829 -10.701 1.868 1.00 0.00 H new ATOM 1092 N GLU A 74 -13.370 -4.202 0.360 1.00 0.00 N ATOM 1093 CA GLU A 74 -12.911 -2.913 0.864 1.00 0.00 C ATOM 1094 C GLU A 74 -13.927 -1.816 0.556 1.00 0.00 C ATOM 1095 O GLU A 74 -14.716 -1.930 -0.382 1.00 0.00 O ATOM 1096 CB GLU A 74 -11.555 -2.555 0.252 1.00 0.00 C ATOM 1097 CG GLU A 74 -10.383 -3.252 0.921 1.00 0.00 C ATOM 1098 CD GLU A 74 -10.229 -4.693 0.475 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -9.766 -4.915 -0.663 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -10.573 -5.598 1.264 1.00 0.00 O ATOM 0 H GLU A 74 -13.060 -4.420 -0.587 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.803 -2.991 1.946 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.564 -2.813 -0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.410 -1.477 0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.466 -2.707 0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.517 -3.223 2.002 1.00 0.00 H new ATOM 1107 N THR A 75 -13.901 -0.753 1.354 1.00 0.00 N ATOM 1108 CA THR A 75 -14.818 0.364 1.169 1.00 0.00 C ATOM 1109 C THR A 75 -14.160 1.685 1.548 1.00 0.00 C ATOM 1110 O THR A 75 -13.889 1.940 2.722 1.00 0.00 O ATOM 1111 CB THR A 75 -16.099 0.183 2.005 1.00 0.00 C ATOM 1112 OG1 THR A 75 -16.814 -0.976 1.562 1.00 0.00 O ATOM 1113 CG2 THR A 75 -16.994 1.409 1.897 1.00 0.00 C ATOM 0 H THR A 75 -13.254 -0.643 2.135 1.00 0.00 H new ATOM 0 HA THR A 75 -15.082 0.384 0.112 1.00 0.00 H new ATOM 0 HB THR A 75 -15.810 0.054 3.048 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.626 -1.085 2.100 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.892 1.258 2.496 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.457 2.285 2.263 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.274 1.564 0.855 1.00 0.00 H new ATOM 1121 N ILE A 76 -13.906 2.523 0.548 1.00 0.00 N ATOM 1122 CA ILE A 76 -13.281 3.819 0.779 1.00 0.00 C ATOM 1123 C ILE A 76 -14.156 4.702 1.663 1.00 0.00 C ATOM 1124 O ILE A 76 -15.316 4.383 1.923 1.00 0.00 O ATOM 1125 CB ILE A 76 -13.003 4.554 -0.546 1.00 0.00 C ATOM 1126 CG1 ILE A 76 -12.763 3.546 -1.672 1.00 0.00 C ATOM 1127 CG2 ILE A 76 -11.809 5.484 -0.396 1.00 0.00 C ATOM 1128 CD1 ILE A 76 -14.014 3.194 -2.445 1.00 0.00 C ATOM 0 H ILE A 76 -14.123 2.327 -0.429 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.335 3.627 1.285 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.876 5.155 -0.801 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.023 3.953 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.339 2.635 -1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.626 5.996 -1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.016 6.220 0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.928 4.904 -0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.768 2.475 -3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -14.749 2.758 -1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.428 4.095 -2.898 1.00 0.00 H new ATOM 1140 N TYR A 77 -13.592 5.815 2.120 1.00 0.00 N ATOM 1141 CA TYR A 77 -14.320 6.744 2.976 1.00 0.00 C ATOM 1142 C TYR A 77 -14.074 8.187 2.545 1.00 0.00 C ATOM 1143 O TYR A 77 -13.108 8.499 1.849 1.00 0.00 O ATOM 1144 CB TYR A 77 -13.904 6.558 4.436 1.00 0.00 C ATOM 1145 CG TYR A 77 -14.711 5.508 5.166 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -14.658 4.173 4.786 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -15.527 5.852 6.237 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -15.394 3.211 5.449 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -16.266 4.896 6.908 1.00 0.00 C ATOM 1150 CZ TYR A 77 -16.196 3.577 6.510 1.00 0.00 C ATOM 1151 OH TYR A 77 -16.930 2.622 7.175 1.00 0.00 O ATOM 0 H TYR A 77 -12.634 6.095 1.912 1.00 0.00 H new ATOM 0 HA TYR A 77 -15.385 6.531 2.879 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -12.850 6.284 4.473 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -14.005 7.510 4.958 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -14.030 3.882 3.957 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -15.585 6.884 6.550 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.342 2.178 5.139 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -16.895 5.180 7.739 1.00 0.00 H new ATOM 0 HH TYR A 77 -17.440 3.045 7.897 1.00 0.00 H new ATOM 1161 N PRO A 78 -14.971 9.091 2.969 1.00 0.00 N ATOM 1162 CA PRO A 78 -14.874 10.516 2.641 1.00 0.00 C ATOM 1163 C PRO A 78 -13.707 11.196 3.350 1.00 0.00 C ATOM 1164 O PRO A 78 -13.509 12.403 3.221 1.00 0.00 O ATOM 1165 CB PRO A 78 -16.205 11.085 3.137 1.00 0.00 C ATOM 1166 CG PRO A 78 -16.641 10.150 4.211 1.00 0.00 C ATOM 1167 CD PRO A 78 -16.148 8.790 3.802 1.00 0.00 C ATOM 0 HA PRO A 78 -14.695 10.678 1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.084 12.098 3.520 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -16.939 11.134 2.333 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.225 10.442 5.175 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -17.726 10.156 4.317 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -15.883 8.181 4.667 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -16.905 8.239 3.244 1.00 0.00 H new ATOM 1175 N ASN A 79 -12.938 10.412 4.099 1.00 0.00 N ATOM 1176 CA ASN A 79 -11.791 10.939 4.829 1.00 0.00 C ATOM 1177 C ASN A 79 -10.503 10.246 4.394 1.00 0.00 C ATOM 1178 O ASN A 79 -9.481 10.330 5.073 1.00 0.00 O ATOM 1179 CB ASN A 79 -11.993 10.763 6.336 1.00 0.00 C ATOM 1180 CG ASN A 79 -12.143 9.307 6.733 1.00 0.00 C ATOM 1181 OD1 ASN A 79 -12.254 8.428 5.879 1.00 0.00 O ATOM 1182 ND2 ASN A 79 -12.147 9.047 8.035 1.00 0.00 N ATOM 0 H ASN A 79 -13.088 9.410 4.216 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.706 12.002 4.602 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -11.145 11.196 6.867 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.880 11.315 6.648 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.245 8.086 8.363 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.052 9.808 8.707 1.00 0.00 H new ATOM 1189 N ALA A 80 -10.563 9.561 3.256 1.00 0.00 N ATOM 1190 CA ALA A 80 -9.402 8.855 2.728 1.00 0.00 C ATOM 1191 C ALA A 80 -9.104 7.601 3.544 1.00 0.00 C ATOM 1192 O ALA A 80 -7.949 7.198 3.680 1.00 0.00 O ATOM 1193 CB ALA A 80 -8.189 9.774 2.708 1.00 0.00 C ATOM 0 H ALA A 80 -11.403 9.480 2.683 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.628 8.548 1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.330 9.234 2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.397 10.638 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.970 10.110 3.722 1.00 0.00 H new ATOM 1199 N SER A 81 -10.152 6.990 4.085 1.00 0.00 N ATOM 1200 CA SER A 81 -10.002 5.784 4.891 1.00 0.00 C ATOM 1201 C SER A 81 -10.597 4.574 4.176 1.00 0.00 C ATOM 1202 O SER A 81 -11.620 4.680 3.499 1.00 0.00 O ATOM 1203 CB SER A 81 -10.676 5.968 6.252 1.00 0.00 C ATOM 1204 OG SER A 81 -10.234 7.157 6.883 1.00 0.00 O ATOM 0 H SER A 81 -11.115 7.310 3.980 1.00 0.00 H new ATOM 0 HA SER A 81 -8.937 5.608 5.041 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.758 6.001 6.124 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.456 5.111 6.889 1.00 0.00 H new ATOM 0 HG SER A 81 -9.969 7.810 6.202 1.00 0.00 H new ATOM 1210 N LEU A 82 -9.948 3.426 4.331 1.00 0.00 N ATOM 1211 CA LEU A 82 -10.412 2.194 3.701 1.00 0.00 C ATOM 1212 C LEU A 82 -10.812 1.163 4.750 1.00 0.00 C ATOM 1213 O LEU A 82 -10.001 0.766 5.588 1.00 0.00 O ATOM 1214 CB LEU A 82 -9.321 1.620 2.795 1.00 0.00 C ATOM 1215 CG LEU A 82 -9.705 0.381 1.985 1.00 0.00 C ATOM 1216 CD1 LEU A 82 -10.363 0.783 0.674 1.00 0.00 C ATOM 1217 CD2 LEU A 82 -8.482 -0.486 1.725 1.00 0.00 C ATOM 0 H LEU A 82 -9.099 3.322 4.887 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.289 2.431 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.005 2.399 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.457 1.373 3.412 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.422 -0.200 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.629 -0.112 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.263 1.363 0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.669 1.387 0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.774 -1.363 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.742 0.087 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.053 -0.804 2.675 1.00 0.00 H new ATOM 1229 N LEU A 83 -12.067 0.730 4.698 1.00 0.00 N ATOM 1230 CA LEU A 83 -12.576 -0.258 5.644 1.00 0.00 C ATOM 1231 C LEU A 83 -12.437 -1.670 5.083 1.00 0.00 C ATOM 1232 O LEU A 83 -13.134 -2.045 4.141 1.00 0.00 O ATOM 1233 CB LEU A 83 -14.041 0.030 5.974 1.00 0.00 C ATOM 1234 CG LEU A 83 -14.801 -1.089 6.688 1.00 0.00 C ATOM 1235 CD1 LEU A 83 -14.493 -1.076 8.177 1.00 0.00 C ATOM 1236 CD2 LEU A 83 -16.298 -0.953 6.450 1.00 0.00 C ATOM 0 H LEU A 83 -12.751 1.047 4.011 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.985 -0.189 6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.084 0.925 6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.563 0.262 5.046 1.00 0.00 H new ATOM 0 HG LEU A 83 -14.474 -2.044 6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -15.042 -1.879 8.669 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.424 -1.222 8.329 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.792 -0.118 8.602 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -16.823 -1.757 6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -16.641 0.008 6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.503 -1.012 5.381 1.00 0.00 H new ATOM 1248 N MET A 84 -11.534 -2.448 5.670 1.00 0.00 N ATOM 1249 CA MET A 84 -11.306 -3.820 5.231 1.00 0.00 C ATOM 1250 C MET A 84 -12.214 -4.789 5.983 1.00 0.00 C ATOM 1251 O MET A 84 -12.136 -4.904 7.206 1.00 0.00 O ATOM 1252 CB MET A 84 -9.841 -4.208 5.440 1.00 0.00 C ATOM 1253 CG MET A 84 -9.333 -5.226 4.432 1.00 0.00 C ATOM 1254 SD MET A 84 -7.558 -5.091 4.143 1.00 0.00 S ATOM 1255 CE MET A 84 -7.477 -3.536 3.258 1.00 0.00 C ATOM 0 H MET A 84 -10.948 -2.152 6.451 1.00 0.00 H new ATOM 0 HA MET A 84 -11.542 -3.880 4.168 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.224 -3.311 5.381 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.720 -4.612 6.445 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.564 -6.230 4.788 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.862 -5.092 3.488 1.00 0.00 H new ATOM 0 HE1 MET A 84 -6.620 -2.962 3.610 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.371 -3.730 2.191 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.391 -2.969 3.434 1.00 0.00 H new ATOM 1265 N ARG A 85 -13.073 -5.482 5.243 1.00 0.00 N ATOM 1266 CA ARG A 85 -13.996 -6.440 5.840 1.00 0.00 C ATOM 1267 C ARG A 85 -13.517 -7.871 5.614 1.00 0.00 C ATOM 1268 O ARG A 85 -12.903 -8.176 4.592 1.00 0.00 O ATOM 1269 CB ARG A 85 -15.398 -6.261 5.256 1.00 0.00 C ATOM 1270 CG ARG A 85 -16.241 -5.237 5.998 1.00 0.00 C ATOM 1271 CD ARG A 85 -17.727 -5.480 5.785 1.00 0.00 C ATOM 1272 NE ARG A 85 -18.163 -6.750 6.360 1.00 0.00 N ATOM 1273 CZ ARG A 85 -19.436 -7.062 6.573 1.00 0.00 C ATOM 1274 NH1 ARG A 85 -20.394 -6.200 6.260 1.00 0.00 N ATOM 1275 NH2 ARG A 85 -19.753 -8.237 7.100 1.00 0.00 N ATOM 0 H ARG A 85 -13.149 -5.398 4.229 1.00 0.00 H new ATOM 0 HA ARG A 85 -14.030 -6.253 6.913 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.312 -5.960 4.212 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.913 -7.221 5.269 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -16.013 -5.279 7.063 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -15.982 -4.235 5.656 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -18.295 -4.665 6.234 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.946 -5.471 4.717 1.00 0.00 H new ATOM 0 HE ARG A 85 -17.450 -7.435 6.612 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -20.154 -5.295 5.855 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -21.371 -6.442 6.424 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -19.019 -8.902 7.342 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -20.731 -8.476 7.263 1.00 0.00 H new ATOM 1289 N ASN A 86 -13.801 -8.744 6.574 1.00 0.00 N ATOM 1290 CA ASN A 86 -13.398 -10.142 6.480 1.00 0.00 C ATOM 1291 C ASN A 86 -11.894 -10.261 6.252 1.00 0.00 C ATOM 1292 O ASN A 86 -11.443 -11.036 5.408 1.00 0.00 O ATOM 1293 CB ASN A 86 -14.154 -10.837 5.345 1.00 0.00 C ATOM 1294 CG ASN A 86 -15.525 -11.321 5.775 1.00 0.00 C ATOM 1295 OD1 ASN A 86 -15.650 -12.122 6.702 1.00 0.00 O ATOM 1296 ND2 ASN A 86 -16.562 -10.837 5.102 1.00 0.00 N ATOM 0 H ASN A 86 -14.309 -8.508 7.426 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.644 -10.629 7.424 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.261 -10.147 4.508 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.568 -11.684 4.987 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.509 -11.127 5.346 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.412 -10.175 4.341 1.00 0.00 H new ATOM 1303 N VAL A 87 -11.123 -9.489 7.011 1.00 0.00 N ATOM 1304 CA VAL A 87 -9.670 -9.508 6.893 1.00 0.00 C ATOM 1305 C VAL A 87 -9.128 -10.928 7.011 1.00 0.00 C ATOM 1306 O VAL A 87 -9.750 -11.794 7.629 1.00 0.00 O ATOM 1307 CB VAL A 87 -9.008 -8.627 7.970 1.00 0.00 C ATOM 1308 CG1 VAL A 87 -9.469 -7.184 7.836 1.00 0.00 C ATOM 1309 CG2 VAL A 87 -9.313 -9.166 9.359 1.00 0.00 C ATOM 0 H VAL A 87 -11.481 -8.843 7.714 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.427 -9.110 5.908 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.928 -8.653 7.824 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.991 -6.577 8.605 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.195 -6.805 6.852 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.551 -7.135 7.956 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.838 -8.532 10.108 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.391 -9.171 9.519 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.929 -10.182 9.447 1.00 0.00 H new ATOM 1319 N THR A 88 -7.964 -11.163 6.413 1.00 0.00 N ATOM 1320 CA THR A 88 -7.338 -12.479 6.449 1.00 0.00 C ATOM 1321 C THR A 88 -5.849 -12.370 6.759 1.00 0.00 C ATOM 1322 O THR A 88 -5.264 -11.291 6.671 1.00 0.00 O ATOM 1323 CB THR A 88 -7.520 -13.224 5.114 1.00 0.00 C ATOM 1324 OG1 THR A 88 -7.210 -12.353 4.020 1.00 0.00 O ATOM 1325 CG2 THR A 88 -8.944 -13.740 4.971 1.00 0.00 C ATOM 0 H THR A 88 -7.436 -10.459 5.898 1.00 0.00 H new ATOM 0 HA THR A 88 -7.831 -13.043 7.241 1.00 0.00 H new ATOM 0 HB THR A 88 -6.840 -14.076 5.103 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.327 -12.835 3.175 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.048 -14.263 4.020 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.166 -14.426 5.788 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.640 -12.901 5.002 1.00 0.00 H new ATOM 1333 N ARG A 89 -5.242 -13.495 7.123 1.00 0.00 N ATOM 1334 CA ARG A 89 -3.821 -13.526 7.447 1.00 0.00 C ATOM 1335 C ARG A 89 -2.979 -13.142 6.234 1.00 0.00 C ATOM 1336 O ARG A 89 -1.811 -12.777 6.367 1.00 0.00 O ATOM 1337 CB ARG A 89 -3.419 -14.917 7.941 1.00 0.00 C ATOM 1338 CG ARG A 89 -3.639 -16.015 6.913 1.00 0.00 C ATOM 1339 CD ARG A 89 -2.642 -17.150 7.088 1.00 0.00 C ATOM 1340 NE ARG A 89 -2.568 -18.001 5.904 1.00 0.00 N ATOM 1341 CZ ARG A 89 -1.583 -18.864 5.679 1.00 0.00 C ATOM 1342 NH1 ARG A 89 -0.595 -18.990 6.554 1.00 0.00 N ATOM 1343 NH2 ARG A 89 -1.586 -19.603 4.577 1.00 0.00 N ATOM 0 H ARG A 89 -5.712 -14.397 7.201 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.638 -12.800 8.239 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.367 -14.902 8.225 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.989 -15.153 8.840 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.653 -16.403 7.005 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.546 -15.599 5.910 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.656 -16.737 7.300 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.927 -17.753 7.950 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.313 -17.929 5.211 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.590 -18.424 7.402 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.160 -19.653 6.379 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.345 -19.509 3.902 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.830 -20.265 4.405 1.00 0.00 H new ATOM 1357 N ASN A 90 -3.579 -13.228 5.051 1.00 0.00 N ATOM 1358 CA ASN A 90 -2.884 -12.890 3.814 1.00 0.00 C ATOM 1359 C ASN A 90 -2.762 -11.378 3.654 1.00 0.00 C ATOM 1360 O ASN A 90 -1.715 -10.868 3.255 1.00 0.00 O ATOM 1361 CB ASN A 90 -3.621 -13.484 2.612 1.00 0.00 C ATOM 1362 CG ASN A 90 -3.428 -14.984 2.499 1.00 0.00 C ATOM 1363 OD1 ASN A 90 -2.335 -15.500 2.733 1.00 0.00 O ATOM 1364 ND2 ASN A 90 -4.492 -15.692 2.138 1.00 0.00 N ATOM 0 H ASN A 90 -4.545 -13.529 4.923 1.00 0.00 H new ATOM 0 HA ASN A 90 -1.881 -13.314 3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.685 -13.263 2.696 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -3.267 -13.005 1.699 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.423 -16.705 2.045 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.379 -15.222 1.954 1.00 0.00 H new ATOM 1371 N ASP A 91 -3.839 -10.667 3.968 1.00 0.00 N ATOM 1372 CA ASP A 91 -3.853 -9.212 3.861 1.00 0.00 C ATOM 1373 C ASP A 91 -2.649 -8.604 4.572 1.00 0.00 C ATOM 1374 O ASP A 91 -2.111 -7.582 4.143 1.00 0.00 O ATOM 1375 CB ASP A 91 -5.148 -8.649 4.449 1.00 0.00 C ATOM 1376 CG ASP A 91 -6.325 -8.798 3.506 1.00 0.00 C ATOM 1377 OD1 ASP A 91 -6.121 -8.683 2.279 1.00 0.00 O ATOM 1378 OD2 ASP A 91 -7.452 -9.028 3.994 1.00 0.00 O ATOM 0 H ASP A 91 -4.714 -11.074 4.299 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.799 -8.949 2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.370 -9.160 5.386 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.007 -7.594 4.686 1.00 0.00 H new ATOM 1383 N THR A 92 -2.230 -9.237 5.664 1.00 0.00 N ATOM 1384 CA THR A 92 -1.092 -8.757 6.437 1.00 0.00 C ATOM 1385 C THR A 92 0.086 -8.419 5.529 1.00 0.00 C ATOM 1386 O THR A 92 0.576 -9.272 4.789 1.00 0.00 O ATOM 1387 CB THR A 92 -0.641 -9.798 7.478 1.00 0.00 C ATOM 1388 OG1 THR A 92 -1.784 -10.400 8.096 1.00 0.00 O ATOM 1389 CG2 THR A 92 0.238 -9.155 8.541 1.00 0.00 C ATOM 0 H THR A 92 -2.663 -10.084 6.033 1.00 0.00 H new ATOM 0 HA THR A 92 -1.419 -7.855 6.954 1.00 0.00 H new ATOM 0 HB THR A 92 -0.061 -10.565 6.965 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.947 -11.280 7.696 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.544 -9.910 9.265 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.122 -8.724 8.070 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.322 -8.370 9.050 1.00 0.00 H new ATOM 1397 N GLY A 93 0.536 -7.170 5.591 1.00 0.00 N ATOM 1398 CA GLY A 93 1.654 -6.743 4.770 1.00 0.00 C ATOM 1399 C GLY A 93 1.810 -5.235 4.742 1.00 0.00 C ATOM 1400 O GLY A 93 2.404 -4.649 5.647 1.00 0.00 O ATOM 0 H GLY A 93 0.147 -6.446 6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.572 -7.193 5.149 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.515 -7.110 3.753 1.00 0.00 H new ATOM 1404 N SER A 94 1.276 -4.605 3.700 1.00 0.00 N ATOM 1405 CA SER A 94 1.364 -3.157 3.556 1.00 0.00 C ATOM 1406 C SER A 94 0.249 -2.632 2.656 1.00 0.00 C ATOM 1407 O SER A 94 -0.195 -3.318 1.735 1.00 0.00 O ATOM 1408 CB SER A 94 2.726 -2.762 2.982 1.00 0.00 C ATOM 1409 OG SER A 94 3.781 -3.229 3.805 1.00 0.00 O ATOM 0 H SER A 94 0.778 -5.075 2.944 1.00 0.00 H new ATOM 0 HA SER A 94 1.251 -2.711 4.544 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.834 -3.173 1.978 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.785 -1.677 2.890 1.00 0.00 H new ATOM 0 HG SER A 94 4.641 -2.965 3.416 1.00 0.00 H new ATOM 1415 N TYR A 95 -0.199 -1.412 2.930 1.00 0.00 N ATOM 1416 CA TYR A 95 -1.263 -0.795 2.148 1.00 0.00 C ATOM 1417 C TYR A 95 -0.998 0.694 1.946 1.00 0.00 C ATOM 1418 O TYR A 95 -1.083 1.485 2.885 1.00 0.00 O ATOM 1419 CB TYR A 95 -2.613 -0.995 2.838 1.00 0.00 C ATOM 1420 CG TYR A 95 -3.156 -2.401 2.712 1.00 0.00 C ATOM 1421 CD1 TYR A 95 -2.687 -3.423 3.527 1.00 0.00 C ATOM 1422 CD2 TYR A 95 -4.139 -2.706 1.779 1.00 0.00 C ATOM 1423 CE1 TYR A 95 -3.179 -4.709 3.415 1.00 0.00 C ATOM 1424 CE2 TYR A 95 -4.638 -3.989 1.660 1.00 0.00 C ATOM 1425 CZ TYR A 95 -4.154 -4.987 2.480 1.00 0.00 C ATOM 1426 OH TYR A 95 -4.648 -6.266 2.366 1.00 0.00 O ATOM 0 H TYR A 95 0.158 -0.831 3.688 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.287 -1.277 1.171 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.512 -0.747 3.895 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.335 -0.297 2.415 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.924 -3.209 4.261 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.520 -1.927 1.135 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.802 -5.492 4.056 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.402 -4.209 0.929 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.536 -6.311 2.777 1.00 0.00 H new ATOM 1436 N THR A 96 -0.676 1.069 0.712 1.00 0.00 N ATOM 1437 CA THR A 96 -0.398 2.461 0.384 1.00 0.00 C ATOM 1438 C THR A 96 -1.675 3.203 0.004 1.00 0.00 C ATOM 1439 O THR A 96 -2.509 2.683 -0.738 1.00 0.00 O ATOM 1440 CB THR A 96 0.612 2.575 -0.774 1.00 0.00 C ATOM 1441 OG1 THR A 96 1.769 1.779 -0.494 1.00 0.00 O ATOM 1442 CG2 THR A 96 1.026 4.023 -0.990 1.00 0.00 C ATOM 0 H THR A 96 -0.601 0.427 -0.077 1.00 0.00 H new ATOM 0 HA THR A 96 0.031 2.916 1.277 1.00 0.00 H new ATOM 0 HB THR A 96 0.133 2.212 -1.683 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.534 0.829 -0.552 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.739 4.079 -1.812 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.147 4.621 -1.231 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.489 4.408 -0.082 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.821 4.419 0.517 1.00 0.00 N ATOM 1451 CA LEU A 97 -2.997 5.234 0.230 1.00 0.00 C ATOM 1452 C LEU A 97 -2.594 6.593 -0.332 1.00 0.00 C ATOM 1453 O LEU A 97 -2.084 7.448 0.391 1.00 0.00 O ATOM 1454 CB LEU A 97 -3.833 5.421 1.498 1.00 0.00 C ATOM 1455 CG LEU A 97 -4.918 6.497 1.433 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -4.321 7.873 1.686 1.00 0.00 C ATOM 1457 CD2 LEU A 97 -5.627 6.459 0.088 1.00 0.00 C ATOM 0 H LEU A 97 -1.140 4.863 1.134 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.595 4.715 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.307 4.470 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.160 5.661 2.321 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.652 6.294 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.108 8.626 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.861 7.894 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.566 8.087 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.396 7.231 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.905 6.636 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.089 5.482 -0.052 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.830 6.785 -1.626 1.00 0.00 N ATOM 1470 CA GLN A 98 -2.492 8.042 -2.285 1.00 0.00 C ATOM 1471 C GLN A 98 -3.742 8.883 -2.525 1.00 0.00 C ATOM 1472 O GLN A 98 -4.692 8.433 -3.166 1.00 0.00 O ATOM 1473 CB GLN A 98 -1.783 7.771 -3.613 1.00 0.00 C ATOM 1474 CG GLN A 98 -1.725 8.982 -4.530 1.00 0.00 C ATOM 1475 CD GLN A 98 -1.325 8.623 -5.947 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -2.021 7.871 -6.629 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -0.198 9.160 -6.399 1.00 0.00 N ATOM 0 H GLN A 98 -3.253 6.088 -2.238 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.821 8.598 -1.630 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.768 7.430 -3.410 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.295 6.959 -4.129 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.700 9.469 -4.544 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.014 9.704 -4.128 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.349 9.778 -5.800 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.121 8.954 -7.346 1.00 0.00 H new ATOM 1486 N VAL A 99 -3.734 10.107 -2.006 1.00 0.00 N ATOM 1487 CA VAL A 99 -4.866 11.011 -2.164 1.00 0.00 C ATOM 1488 C VAL A 99 -4.481 12.234 -2.990 1.00 0.00 C ATOM 1489 O VAL A 99 -3.489 12.903 -2.702 1.00 0.00 O ATOM 1490 CB VAL A 99 -5.407 11.478 -0.799 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -4.261 11.820 0.141 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -6.337 12.668 -0.974 1.00 0.00 C ATOM 0 H VAL A 99 -2.956 10.495 -1.473 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.645 10.454 -2.684 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.978 10.662 -0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.662 12.148 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.638 10.938 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.660 12.619 -0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.710 12.985 0.000 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.793 13.490 -1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.176 12.384 -1.609 1.00 0.00 H new ATOM 1502 N ILE A 100 -5.273 12.519 -4.018 1.00 0.00 N ATOM 1503 CA ILE A 100 -5.017 13.662 -4.886 1.00 0.00 C ATOM 1504 C ILE A 100 -5.725 14.911 -4.373 1.00 0.00 C ATOM 1505 O ILE A 100 -6.745 14.824 -3.689 1.00 0.00 O ATOM 1506 CB ILE A 100 -5.471 13.385 -6.331 1.00 0.00 C ATOM 1507 CG1 ILE A 100 -4.610 12.286 -6.958 1.00 0.00 C ATOM 1508 CG2 ILE A 100 -5.401 14.658 -7.161 1.00 0.00 C ATOM 1509 CD1 ILE A 100 -4.998 10.891 -6.519 1.00 0.00 C ATOM 0 H ILE A 100 -6.098 11.974 -4.270 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.940 13.829 -4.878 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.506 13.043 -6.312 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.686 12.351 -8.043 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.566 12.462 -6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.725 14.446 -8.180 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.052 15.414 -6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.375 15.027 -7.176 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.346 10.163 -7.002 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.895 10.808 -5.437 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.033 10.695 -6.801 1.00 0.00 H new ATOM 1521 N LYS A 101 -5.178 16.074 -4.709 1.00 0.00 N ATOM 1522 CA LYS A 101 -5.758 17.344 -4.286 1.00 0.00 C ATOM 1523 C LYS A 101 -6.095 18.216 -5.491 1.00 0.00 C ATOM 1524 O LYS A 101 -5.396 18.189 -6.505 1.00 0.00 O ATOM 1525 CB LYS A 101 -4.792 18.086 -3.360 1.00 0.00 C ATOM 1526 CG LYS A 101 -4.137 17.191 -2.322 1.00 0.00 C ATOM 1527 CD LYS A 101 -3.311 17.997 -1.333 1.00 0.00 C ATOM 1528 CE LYS A 101 -2.005 18.470 -1.952 1.00 0.00 C ATOM 1529 NZ LYS A 101 -2.147 19.806 -2.593 1.00 0.00 N ATOM 0 H LYS A 101 -4.333 16.164 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.680 17.132 -3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.016 18.559 -3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.331 18.885 -2.851 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.904 16.632 -1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.499 16.461 -2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.887 18.858 -0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.099 17.389 -0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.234 18.516 -1.183 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.671 17.745 -2.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.221 20.278 -2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.506 19.690 -3.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.814 20.385 -2.044 1.00 0.00 H new ATOM 1543 N LEU A 102 -7.167 18.991 -5.373 1.00 0.00 N ATOM 1544 CA LEU A 102 -7.596 19.874 -6.453 1.00 0.00 C ATOM 1545 C LEU A 102 -6.430 20.713 -6.965 1.00 0.00 C ATOM 1546 O LEU A 102 -6.485 21.266 -8.063 1.00 0.00 O ATOM 1547 CB LEU A 102 -8.725 20.788 -5.973 1.00 0.00 C ATOM 1548 CG LEU A 102 -10.113 20.152 -5.888 1.00 0.00 C ATOM 1549 CD1 LEU A 102 -10.851 20.303 -7.209 1.00 0.00 C ATOM 1550 CD2 LEU A 102 -10.004 18.684 -5.500 1.00 0.00 C ATOM 0 H LEU A 102 -7.755 19.026 -4.541 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.962 19.255 -7.272 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.462 21.170 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.781 21.646 -6.643 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.683 20.670 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.837 19.844 -7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.961 21.361 -7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.285 19.812 -8.000 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.001 18.247 -5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.417 18.152 -6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.516 18.600 -4.529 1.00 0.00 H new ATOM 1562 N ASN A 103 -5.374 20.802 -6.163 1.00 0.00 N ATOM 1563 CA ASN A 103 -4.193 21.572 -6.536 1.00 0.00 C ATOM 1564 C ASN A 103 -3.264 20.749 -7.423 1.00 0.00 C ATOM 1565 O ASN A 103 -2.062 21.009 -7.492 1.00 0.00 O ATOM 1566 CB ASN A 103 -3.444 22.036 -5.285 1.00 0.00 C ATOM 1567 CG ASN A 103 -2.167 22.782 -5.619 1.00 0.00 C ATOM 1568 OD1 ASN A 103 -2.154 23.655 -6.487 1.00 0.00 O ATOM 1569 ND2 ASN A 103 -1.085 22.441 -4.929 1.00 0.00 N ATOM 0 H ASN A 103 -5.312 20.350 -5.251 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.523 22.446 -7.098 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -4.094 22.681 -4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.205 21.171 -4.666 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.197 22.909 -5.109 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -1.142 21.711 -4.218 1.00 0.00 H new ATOM 1576 N LEU A 104 -3.828 19.754 -8.099 1.00 0.00 N ATOM 1577 CA LEU A 104 -3.051 18.892 -8.983 1.00 0.00 C ATOM 1578 C LEU A 104 -1.875 18.267 -8.238 1.00 0.00 C ATOM 1579 O LEU A 104 -0.758 18.217 -8.752 1.00 0.00 O ATOM 1580 CB LEU A 104 -2.542 19.687 -10.186 1.00 0.00 C ATOM 1581 CG LEU A 104 -3.611 20.376 -11.036 1.00 0.00 C ATOM 1582 CD1 LEU A 104 -2.993 20.968 -12.293 1.00 0.00 C ATOM 1583 CD2 LEU A 104 -4.719 19.397 -11.394 1.00 0.00 C ATOM 0 H LEU A 104 -4.821 19.524 -8.052 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.703 18.092 -9.334 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.847 20.446 -9.827 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.975 19.013 -10.828 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.045 21.188 -10.453 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.768 21.454 -12.885 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.235 21.701 -12.016 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.532 20.174 -12.880 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.471 19.904 -11.999 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.300 18.564 -11.959 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.181 19.021 -10.481 1.00 0.00 H new ATOM 1595 N MET A 105 -2.136 17.791 -7.025 1.00 0.00 N ATOM 1596 CA MET A 105 -1.100 17.166 -6.211 1.00 0.00 C ATOM 1597 C MET A 105 -1.564 15.810 -5.688 1.00 0.00 C ATOM 1598 O MET A 105 -2.730 15.443 -5.835 1.00 0.00 O ATOM 1599 CB MET A 105 -0.723 18.076 -5.040 1.00 0.00 C ATOM 1600 CG MET A 105 0.111 19.278 -5.449 1.00 0.00 C ATOM 1601 SD MET A 105 1.881 18.935 -5.427 1.00 0.00 S ATOM 1602 CE MET A 105 2.138 18.592 -3.687 1.00 0.00 C ATOM 0 H MET A 105 -3.055 17.826 -6.584 1.00 0.00 H new ATOM 0 HA MET A 105 -0.223 17.012 -6.839 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.634 18.425 -4.554 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.170 17.495 -4.302 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.181 19.594 -6.450 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.102 20.109 -4.777 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.156 18.864 -3.409 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.432 19.173 -3.093 1.00 0.00 H new ATOM 0 HE3 MET A 105 1.982 17.530 -3.499 1.00 0.00 H new ATOM 1612 N SER A 106 -0.644 15.070 -5.077 1.00 0.00 N ATOM 1613 CA SER A 106 -0.958 13.753 -4.536 1.00 0.00 C ATOM 1614 C SER A 106 -0.006 13.391 -3.400 1.00 0.00 C ATOM 1615 O SER A 106 1.211 13.514 -3.534 1.00 0.00 O ATOM 1616 CB SER A 106 -0.882 12.694 -5.637 1.00 0.00 C ATOM 1617 OG SER A 106 -1.190 13.252 -6.903 1.00 0.00 O ATOM 0 H SER A 106 0.325 15.360 -4.944 1.00 0.00 H new ATOM 0 HA SER A 106 -1.973 13.783 -4.140 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.118 12.260 -5.661 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.576 11.883 -5.415 1.00 0.00 H new ATOM 0 HG SER A 106 -1.133 12.556 -7.590 1.00 0.00 H new ATOM 1623 N GLU A 107 -0.570 12.944 -2.282 1.00 0.00 N ATOM 1624 CA GLU A 107 0.228 12.565 -1.123 1.00 0.00 C ATOM 1625 C GLU A 107 0.357 11.048 -1.023 1.00 0.00 C ATOM 1626 O GLU A 107 -0.445 10.309 -1.592 1.00 0.00 O ATOM 1627 CB GLU A 107 -0.398 13.120 0.159 1.00 0.00 C ATOM 1628 CG GLU A 107 -0.563 14.630 0.151 1.00 0.00 C ATOM 1629 CD GLU A 107 -1.610 15.098 -0.841 1.00 0.00 C ATOM 1630 OE1 GLU A 107 -2.798 15.170 -0.461 1.00 0.00 O ATOM 1631 OE2 GLU A 107 -1.242 15.391 -1.997 1.00 0.00 O ATOM 0 H GLU A 107 -1.576 12.836 -2.155 1.00 0.00 H new ATOM 0 HA GLU A 107 1.224 12.990 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.374 12.657 0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.222 12.835 1.009 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.839 14.967 1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.393 15.095 -0.089 1.00 0.00 H new ATOM 1638 N GLU A 108 1.373 10.593 -0.297 1.00 0.00 N ATOM 1639 CA GLU A 108 1.608 9.164 -0.124 1.00 0.00 C ATOM 1640 C GLU A 108 1.709 8.804 1.355 1.00 0.00 C ATOM 1641 O GLU A 108 2.314 9.531 2.143 1.00 0.00 O ATOM 1642 CB GLU A 108 2.888 8.743 -0.851 1.00 0.00 C ATOM 1643 CG GLU A 108 2.720 8.620 -2.356 1.00 0.00 C ATOM 1644 CD GLU A 108 3.008 9.919 -3.083 1.00 0.00 C ATOM 1645 OE1 GLU A 108 3.806 10.727 -2.563 1.00 0.00 O ATOM 1646 OE2 GLU A 108 2.435 10.128 -4.173 1.00 0.00 O ATOM 0 H GLU A 108 2.046 11.192 0.181 1.00 0.00 H new ATOM 0 HA GLU A 108 0.761 8.628 -0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.672 9.470 -0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.225 7.786 -0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.387 7.843 -2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.702 8.301 -2.579 1.00 0.00 H new ATOM 1653 N VAL A 109 1.111 7.676 1.726 1.00 0.00 N ATOM 1654 CA VAL A 109 1.133 7.218 3.110 1.00 0.00 C ATOM 1655 C VAL A 109 0.816 5.729 3.201 1.00 0.00 C ATOM 1656 O VAL A 109 -0.275 5.291 2.835 1.00 0.00 O ATOM 1657 CB VAL A 109 0.128 8.000 3.976 1.00 0.00 C ATOM 1658 CG1 VAL A 109 -1.185 8.189 3.231 1.00 0.00 C ATOM 1659 CG2 VAL A 109 -0.099 7.289 5.301 1.00 0.00 C ATOM 0 H VAL A 109 0.605 7.063 1.087 1.00 0.00 H new ATOM 0 HA VAL A 109 2.140 7.396 3.487 1.00 0.00 H new ATOM 0 HB VAL A 109 0.544 8.985 4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.883 8.744 3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.004 8.744 2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.610 7.215 2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.812 7.855 5.900 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.494 6.290 5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.846 7.211 5.839 1.00 0.00 H new ATOM 1669 N THR A 110 1.778 4.954 3.694 1.00 0.00 N ATOM 1670 CA THR A 110 1.602 3.514 3.833 1.00 0.00 C ATOM 1671 C THR A 110 0.913 3.169 5.148 1.00 0.00 C ATOM 1672 O THR A 110 1.539 3.169 6.207 1.00 0.00 O ATOM 1673 CB THR A 110 2.952 2.775 3.765 1.00 0.00 C ATOM 1674 OG1 THR A 110 3.877 3.516 2.961 1.00 0.00 O ATOM 1675 CG2 THR A 110 2.775 1.379 3.187 1.00 0.00 C ATOM 0 H THR A 110 2.686 5.300 4.003 1.00 0.00 H new ATOM 0 HA THR A 110 0.976 3.190 3.002 1.00 0.00 H new ATOM 0 HB THR A 110 3.344 2.685 4.778 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.733 3.040 2.924 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.741 0.876 3.148 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.093 0.808 3.817 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.363 1.452 2.180 1.00 0.00 H new ATOM 1683 N GLY A 111 -0.382 2.875 5.073 1.00 0.00 N ATOM 1684 CA GLY A 111 -1.135 2.532 6.265 1.00 0.00 C ATOM 1685 C GLY A 111 -1.720 1.135 6.199 1.00 0.00 C ATOM 1686 O GLY A 111 -2.692 0.896 5.483 1.00 0.00 O ATOM 0 H GLY A 111 -0.923 2.868 4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.485 2.610 7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.940 3.254 6.403 1.00 0.00 H new ATOM 1690 N GLN A 112 -1.125 0.210 6.945 1.00 0.00 N ATOM 1691 CA GLN A 112 -1.593 -1.171 6.966 1.00 0.00 C ATOM 1692 C GLN A 112 -1.860 -1.634 8.394 1.00 0.00 C ATOM 1693 O GLN A 112 -1.732 -0.860 9.343 1.00 0.00 O ATOM 1694 CB GLN A 112 -0.564 -2.089 6.303 1.00 0.00 C ATOM 1695 CG GLN A 112 0.755 -2.168 7.055 1.00 0.00 C ATOM 1696 CD GLN A 112 1.537 -0.871 6.999 1.00 0.00 C ATOM 1697 OE1 GLN A 112 1.355 0.014 7.836 1.00 0.00 O ATOM 1698 NE2 GLN A 112 2.414 -0.750 6.009 1.00 0.00 N ATOM 0 H GLN A 112 -0.318 0.391 7.542 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.528 -1.221 6.408 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.985 -3.091 6.218 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.374 -1.736 5.289 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.560 -2.426 8.096 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.361 -2.971 6.635 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.533 -1.508 5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 112 2.969 0.101 5.920 1.00 0.00 H new ATOM 1707 N PHE A 113 -2.231 -2.901 8.540 1.00 0.00 N ATOM 1708 CA PHE A 113 -2.518 -3.468 9.853 1.00 0.00 C ATOM 1709 C PHE A 113 -2.013 -4.904 9.948 1.00 0.00 C ATOM 1710 O PHE A 113 -1.394 -5.419 9.016 1.00 0.00 O ATOM 1711 CB PHE A 113 -4.022 -3.424 10.133 1.00 0.00 C ATOM 1712 CG PHE A 113 -4.842 -4.165 9.116 1.00 0.00 C ATOM 1713 CD1 PHE A 113 -5.009 -3.656 7.838 1.00 0.00 C ATOM 1714 CD2 PHE A 113 -5.448 -5.368 9.439 1.00 0.00 C ATOM 1715 CE1 PHE A 113 -5.763 -4.335 6.900 1.00 0.00 C ATOM 1716 CE2 PHE A 113 -6.203 -6.052 8.504 1.00 0.00 C ATOM 1717 CZ PHE A 113 -6.362 -5.534 7.234 1.00 0.00 C ATOM 0 H PHE A 113 -2.340 -3.555 7.765 1.00 0.00 H new ATOM 0 HA PHE A 113 -1.998 -2.869 10.601 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.213 -3.847 11.120 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.348 -2.384 10.163 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.545 -2.718 7.572 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -5.330 -5.776 10.432 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.884 -3.929 5.907 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.668 -6.991 8.767 1.00 0.00 H new ATOM 0 HZ PHE A 113 -6.954 -6.065 6.503 1.00 0.00 H new ATOM 1727 N SER A 114 -2.280 -5.546 11.081 1.00 0.00 N ATOM 1728 CA SER A 114 -1.850 -6.922 11.301 1.00 0.00 C ATOM 1729 C SER A 114 -3.028 -7.802 11.703 1.00 0.00 C ATOM 1730 O SER A 114 -3.838 -7.426 12.551 1.00 0.00 O ATOM 1731 CB SER A 114 -0.767 -6.973 12.381 1.00 0.00 C ATOM 1732 OG SER A 114 -0.185 -8.263 12.458 1.00 0.00 O ATOM 0 H SER A 114 -2.792 -5.135 11.861 1.00 0.00 H new ATOM 0 HA SER A 114 -1.439 -7.302 10.366 1.00 0.00 H new ATOM 0 HB2 SER A 114 0.005 -6.235 12.162 1.00 0.00 H new ATOM 0 HB3 SER A 114 -1.198 -6.707 13.346 1.00 0.00 H new ATOM 0 HG SER A 114 0.505 -8.270 13.154 1.00 0.00 H new ATOM 1738 N VAL A 115 -3.118 -8.978 11.089 1.00 0.00 N ATOM 1739 CA VAL A 115 -4.196 -9.914 11.383 1.00 0.00 C ATOM 1740 C VAL A 115 -3.657 -11.192 12.016 1.00 0.00 C ATOM 1741 O VAL A 115 -2.717 -11.802 11.506 1.00 0.00 O ATOM 1742 CB VAL A 115 -4.986 -10.278 10.111 1.00 0.00 C ATOM 1743 CG1 VAL A 115 -6.191 -11.138 10.459 1.00 0.00 C ATOM 1744 CG2 VAL A 115 -5.414 -9.019 9.373 1.00 0.00 C ATOM 0 H VAL A 115 -2.457 -9.305 10.385 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.864 -9.417 12.087 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.337 -10.855 9.453 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.737 -11.385 9.548 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.856 -12.056 10.942 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.846 -10.590 11.137 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.971 -9.294 8.477 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.047 -8.414 10.022 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.531 -8.445 9.090 1.00 0.00 H new ATOM 1754 N HIS A 116 -4.259 -11.593 13.131 1.00 0.00 N ATOM 1755 CA HIS A 116 -3.841 -12.800 13.835 1.00 0.00 C ATOM 1756 C HIS A 116 -4.942 -13.855 13.805 1.00 0.00 C ATOM 1757 O HIS A 116 -6.123 -13.560 13.986 1.00 0.00 O ATOM 1758 CB HIS A 116 -3.473 -12.470 15.282 1.00 0.00 C ATOM 1759 CG HIS A 116 -4.475 -11.595 15.970 1.00 0.00 C ATOM 1760 ND1 HIS A 116 -5.567 -12.093 16.650 1.00 0.00 N ATOM 1761 CD2 HIS A 116 -4.545 -10.248 16.083 1.00 0.00 C ATOM 1762 CE1 HIS A 116 -6.266 -11.089 17.149 1.00 0.00 C ATOM 1763 NE2 HIS A 116 -5.667 -9.959 16.820 1.00 0.00 N ATOM 0 H HIS A 116 -5.038 -11.100 13.567 1.00 0.00 H new ATOM 0 HA HIS A 116 -2.964 -13.202 13.328 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -3.368 -13.399 15.843 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -2.501 -11.977 15.298 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -3.848 -9.534 15.670 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -7.173 -11.177 17.728 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -5.986 -9.024 17.072 1.00 0.00 H new ATOM 1772 N PRO A 117 -4.547 -15.116 13.571 1.00 0.00 N ATOM 1773 CA PRO A 117 -5.486 -16.241 13.511 1.00 0.00 C ATOM 1774 C PRO A 117 -6.076 -16.576 14.877 1.00 0.00 C ATOM 1775 O PRO A 117 -5.546 -17.416 15.603 1.00 0.00 O ATOM 1776 CB PRO A 117 -4.621 -17.398 13.005 1.00 0.00 C ATOM 1777 CG PRO A 117 -3.233 -17.040 13.413 1.00 0.00 C ATOM 1778 CD PRO A 117 -3.155 -15.540 13.346 1.00 0.00 C ATOM 0 HA PRO A 117 -6.344 -16.022 12.876 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.931 -18.346 13.445 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -4.700 -17.508 11.923 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -3.018 -17.397 14.420 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -2.501 -17.499 12.749 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -2.485 -15.138 14.106 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -2.782 -15.200 12.380 1.00 0.00 H new