USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 757 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 50 ASN : amide:sc= 0 X(o=0.087,f=0.38) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 112 HIS : no HE2:sc= 0.087 K(o=0.087,f=-6.4!) USER MOD Set 2.1: A 68 HIS : no HD1:sc= 0.0293 K(o=1.3,f=-2.9!) USER MOD Set 2.2: A 88 TYR OH : rot 84:sc= 1.28 USER MOD Set 3.1: A 76 ASN : amide:sc= 2.11 K(o=3,f=1.5) USER MOD Set 3.2: A 82 THR OG1 : rot -9:sc= 0.909 USER MOD Set 4.1: A 61 SER OG : rot 120:sc= -1.39 USER MOD Set 4.2: A 107 ASN : amide:sc= 0.002 X(o=-1.4,f=-1.5) USER MOD Set 5.1: A 60 GLN : amide:sc= -0.563 K(o=-1.1,f=-7.8!) USER MOD Set 5.2: A 109 ASN : amide:sc= -0.575 K(o=-1.1,f=-6!) USER MOD Set 6.1: A 11 TYR OH : rot 104:sc= 0.971 USER MOD Set 6.2: A 17 THR OG1 : rot 138:sc= 2.19 USER MOD Set 6.3: A 34 ASN : amide:sc= 0 X(o=3.2,f=3.1) USER MOD Set 7.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 7.2: A 84 SER OG : rot 38:sc= -0.534 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00963 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.0363 X(o=-0.036,f=-0.041) USER MOD Single : A 7 SER OG : rot 130:sc= 0.192 USER MOD Single : A 9 ASN : amide:sc= -2.87! C(o=-2.9!,f=-12!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0424 USER MOD Single : A 15 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 16 CYS SG : rot -80:sc= -4! USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -45:sc= 0.103! USER MOD Single : A 31 THR OG1 : rot -38:sc= 0.877 USER MOD Single : A 36 ASN : amide:sc= -0.315 K(o=-0.32,f=-4.7!) USER MOD Single : A 37 ASN : amide:sc= -1.75 K(o=-1.7,f=-0.66) USER MOD Single : A 43 GLN : amide:sc= -0.027 K(o=-0.027,f=-0.63) USER MOD Single : A 48 THR OG1 : rot 95:sc= 1.06 USER MOD Single : A 51 HIS : no HE2:sc= -0.196 K(o=-0.2,f=-1.8) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0334 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0403 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 141:sc= -0.883 (180deg=-2.54!) USER MOD Single : A 87 ASN : amide:sc= -1.88! C(o=-1.9!,f=-6.7!) USER MOD Single : A 89 SER OG : rot 85:sc= -0.227 USER MOD Single : A 94 SER OG : rot -160:sc= 0 USER MOD Single : A 96 SER OG : rot -143:sc= 0.0106 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.439 12.514 9.373 1.00 0.00 N ATOM 2 CA GLY A 1 -28.795 11.420 10.133 1.00 0.00 C ATOM 3 C GLY A 1 -28.230 10.353 9.226 1.00 0.00 C ATOM 4 O GLY A 1 -28.942 9.810 8.380 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.813 13.224 10.035 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.739 12.960 8.746 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.219 12.128 8.803 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.996 11.830 10.751 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.523 10.972 10.809 1.00 0.00 H new ATOM 10 N SER A 2 -26.953 10.056 9.391 1.00 0.00 N ATOM 11 CA SER A 2 -26.299 9.028 8.603 1.00 0.00 C ATOM 12 C SER A 2 -25.562 8.063 9.517 1.00 0.00 C ATOM 13 O SER A 2 -24.834 8.489 10.416 1.00 0.00 O ATOM 14 CB SER A 2 -25.322 9.661 7.615 1.00 0.00 C ATOM 15 OG SER A 2 -25.949 10.685 6.868 1.00 0.00 O ATOM 0 H SER A 2 -26.345 10.516 10.069 1.00 0.00 H new ATOM 0 HA SER A 2 -27.057 8.479 8.044 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.468 10.070 8.154 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.936 8.897 6.940 1.00 0.00 H new ATOM 0 HG SER A 2 -25.303 11.077 6.243 1.00 0.00 H new ATOM 21 N SER A 3 -25.766 6.774 9.291 1.00 0.00 N ATOM 22 CA SER A 3 -25.124 5.740 10.085 1.00 0.00 C ATOM 23 C SER A 3 -23.603 5.819 9.967 1.00 0.00 C ATOM 24 O SER A 3 -22.906 5.993 10.968 1.00 0.00 O ATOM 25 CB SER A 3 -25.630 4.367 9.636 1.00 0.00 C ATOM 26 OG SER A 3 -25.616 4.258 8.219 1.00 0.00 O ATOM 0 H SER A 3 -26.378 6.418 8.556 1.00 0.00 H new ATOM 0 HA SER A 3 -25.379 5.893 11.134 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.007 3.586 10.071 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.643 4.210 10.007 1.00 0.00 H new ATOM 0 HG SER A 3 -25.942 3.372 7.956 1.00 0.00 H new ATOM 32 N ILE A 4 -23.110 5.716 8.730 1.00 0.00 N ATOM 33 CA ILE A 4 -21.676 5.728 8.443 1.00 0.00 C ATOM 34 C ILE A 4 -20.930 4.763 9.362 1.00 0.00 C ATOM 35 O ILE A 4 -20.252 5.165 10.311 1.00 0.00 O ATOM 36 CB ILE A 4 -21.069 7.150 8.543 1.00 0.00 C ATOM 37 CG1 ILE A 4 -21.882 8.125 7.686 1.00 0.00 C ATOM 38 CG2 ILE A 4 -19.612 7.141 8.093 1.00 0.00 C ATOM 39 CD1 ILE A 4 -21.368 9.549 7.716 1.00 0.00 C ATOM 0 H ILE A 4 -23.695 5.622 7.900 1.00 0.00 H new ATOM 0 HA ILE A 4 -21.556 5.396 7.412 1.00 0.00 H new ATOM 0 HB ILE A 4 -21.106 7.475 9.583 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -21.883 7.772 6.655 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -22.917 8.116 8.027 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -19.201 8.148 8.170 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -19.039 6.466 8.729 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -19.553 6.803 7.058 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -21.997 10.176 7.085 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -21.393 9.923 8.739 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -20.343 9.574 7.346 1.00 0.00 H new ATOM 51 N SER A 5 -21.103 3.482 9.097 1.00 0.00 N ATOM 52 CA SER A 5 -20.475 2.445 9.889 1.00 0.00 C ATOM 53 C SER A 5 -20.054 1.310 8.974 1.00 0.00 C ATOM 54 O SER A 5 -18.867 1.003 8.864 1.00 0.00 O ATOM 55 CB SER A 5 -21.434 1.953 10.970 1.00 0.00 C ATOM 56 OG SER A 5 -21.915 3.035 11.750 1.00 0.00 O ATOM 0 H SER A 5 -21.680 3.134 8.331 1.00 0.00 H new ATOM 0 HA SER A 5 -19.591 2.844 10.387 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.272 1.431 10.508 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.926 1.234 11.613 1.00 0.00 H new ATOM 0 HG SER A 5 -22.529 2.697 12.435 1.00 0.00 H new ATOM 62 N HIS A 6 -21.021 0.707 8.287 1.00 0.00 N ATOM 63 CA HIS A 6 -20.699 -0.236 7.234 1.00 0.00 C ATOM 64 C HIS A 6 -20.422 0.531 5.950 1.00 0.00 C ATOM 65 O HIS A 6 -21.179 0.467 4.981 1.00 0.00 O ATOM 66 CB HIS A 6 -21.810 -1.273 7.022 1.00 0.00 C ATOM 67 CG HIS A 6 -21.436 -2.333 6.029 1.00 0.00 C ATOM 68 ND1 HIS A 6 -20.406 -3.223 6.238 1.00 0.00 N ATOM 69 CD2 HIS A 6 -21.931 -2.616 4.802 1.00 0.00 C ATOM 70 CE1 HIS A 6 -20.281 -4.004 5.182 1.00 0.00 C ATOM 71 NE2 HIS A 6 -21.196 -3.658 4.295 1.00 0.00 N ATOM 0 H HIS A 6 -22.018 0.855 8.441 1.00 0.00 H new ATOM 0 HA HIS A 6 -19.811 -0.793 7.532 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -22.048 -1.743 7.976 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -22.713 -0.766 6.682 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -22.753 -2.115 4.312 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -19.553 -4.793 5.063 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -21.334 -4.094 3.383 1.00 0.00 H new ATOM 80 N SER A 7 -19.361 1.309 5.990 1.00 0.00 N ATOM 81 CA SER A 7 -18.913 2.067 4.846 1.00 0.00 C ATOM 82 C SER A 7 -17.393 2.099 4.843 1.00 0.00 C ATOM 83 O SER A 7 -16.753 1.496 3.983 1.00 0.00 O ATOM 84 CB SER A 7 -19.499 3.484 4.879 1.00 0.00 C ATOM 85 OG SER A 7 -19.325 4.088 6.154 1.00 0.00 O ATOM 0 H SER A 7 -18.784 1.432 6.822 1.00 0.00 H new ATOM 0 HA SER A 7 -19.260 1.592 3.928 1.00 0.00 H new ATOM 0 HB2 SER A 7 -19.018 4.096 4.116 1.00 0.00 H new ATOM 0 HB3 SER A 7 -20.561 3.446 4.635 1.00 0.00 H new ATOM 0 HG SER A 7 -18.933 4.979 6.043 1.00 0.00 H new ATOM 91 N GLY A 8 -16.836 2.784 5.840 1.00 0.00 N ATOM 92 CA GLY A 8 -15.401 2.803 6.054 1.00 0.00 C ATOM 93 C GLY A 8 -14.621 3.320 4.865 1.00 0.00 C ATOM 94 O GLY A 8 -14.451 4.528 4.697 1.00 0.00 O ATOM 0 H GLY A 8 -17.367 3.336 6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -15.179 3.424 6.922 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -15.063 1.794 6.289 1.00 0.00 H new ATOM 98 N ASN A 9 -14.160 2.400 4.037 1.00 0.00 N ATOM 99 CA ASN A 9 -13.339 2.744 2.894 1.00 0.00 C ATOM 100 C ASN A 9 -14.216 3.209 1.736 1.00 0.00 C ATOM 101 O ASN A 9 -15.243 2.602 1.434 1.00 0.00 O ATOM 102 CB ASN A 9 -12.504 1.537 2.473 1.00 0.00 C ATOM 103 CG ASN A 9 -11.336 1.908 1.581 1.00 0.00 C ATOM 104 OD1 ASN A 9 -11.366 2.907 0.861 1.00 0.00 O ATOM 105 ND2 ASN A 9 -10.294 1.103 1.619 1.00 0.00 N ATOM 0 H ASN A 9 -14.343 1.402 4.138 1.00 0.00 H new ATOM 0 HA ASN A 9 -12.669 3.558 3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.128 1.033 3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.142 0.825 1.950 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.477 1.298 1.040 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.304 0.284 2.227 1.00 0.00 H new ATOM 112 N LEU A 10 -13.792 4.285 1.091 1.00 0.00 N ATOM 113 CA LEU A 10 -14.510 4.862 -0.039 1.00 0.00 C ATOM 114 C LEU A 10 -14.294 4.032 -1.296 1.00 0.00 C ATOM 115 O LEU A 10 -14.945 4.250 -2.316 1.00 0.00 O ATOM 116 CB LEU A 10 -14.011 6.281 -0.284 1.00 0.00 C ATOM 117 CG LEU A 10 -14.222 7.258 0.876 1.00 0.00 C ATOM 118 CD1 LEU A 10 -13.657 8.628 0.532 1.00 0.00 C ATOM 119 CD2 LEU A 10 -15.701 7.362 1.223 1.00 0.00 C ATOM 0 H LEU A 10 -12.938 4.785 1.336 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.574 4.873 0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.946 6.240 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.512 6.677 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.689 6.877 1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.817 9.308 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.589 8.542 0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.160 9.017 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.833 8.060 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -16.254 7.719 0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.076 6.381 1.514 1.00 0.00 H new ATOM 131 N TYR A 11 -13.364 3.098 -1.216 1.00 0.00 N ATOM 132 CA TYR A 11 -13.007 2.266 -2.348 1.00 0.00 C ATOM 133 C TYR A 11 -14.039 1.176 -2.601 1.00 0.00 C ATOM 134 O TYR A 11 -15.107 1.147 -1.984 1.00 0.00 O ATOM 135 CB TYR A 11 -11.638 1.638 -2.111 1.00 0.00 C ATOM 136 CG TYR A 11 -10.508 2.379 -2.765 1.00 0.00 C ATOM 137 CD1 TYR A 11 -10.134 2.083 -4.067 1.00 0.00 C ATOM 138 CD2 TYR A 11 -9.807 3.360 -2.081 1.00 0.00 C ATOM 139 CE1 TYR A 11 -9.091 2.743 -4.673 1.00 0.00 C ATOM 140 CE2 TYR A 11 -8.757 4.025 -2.676 1.00 0.00 C ATOM 141 CZ TYR A 11 -8.404 3.714 -3.970 1.00 0.00 C ATOM 142 OH TYR A 11 -7.346 4.365 -4.553 1.00 0.00 O ATOM 0 H TYR A 11 -12.837 2.896 -0.367 1.00 0.00 H new ATOM 0 HA TYR A 11 -12.977 2.902 -3.233 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.453 1.587 -1.038 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.650 0.613 -2.482 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.671 1.322 -4.614 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.088 3.607 -1.068 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.811 2.505 -5.689 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.215 4.784 -2.132 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.626 5.263 -4.828 1.00 0.00 H new ATOM 152 N THR A 12 -13.691 0.282 -3.516 1.00 0.00 N ATOM 153 CA THR A 12 -14.555 -0.812 -3.932 1.00 0.00 C ATOM 154 C THR A 12 -14.636 -1.889 -2.836 1.00 0.00 C ATOM 155 O THR A 12 -14.750 -1.573 -1.656 1.00 0.00 O ATOM 156 CB THR A 12 -13.995 -1.410 -5.236 1.00 0.00 C ATOM 157 OG1 THR A 12 -13.372 -0.369 -5.999 1.00 0.00 O ATOM 158 CG2 THR A 12 -15.091 -2.053 -6.073 1.00 0.00 C ATOM 0 H THR A 12 -12.791 0.297 -3.995 1.00 0.00 H new ATOM 0 HA THR A 12 -15.564 -0.437 -4.101 1.00 0.00 H new ATOM 0 HB THR A 12 -13.271 -2.182 -4.973 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.012 -0.743 -6.830 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.658 -2.464 -6.985 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.562 -2.853 -5.502 1.00 0.00 H new ATOM 0 HG23 THR A 12 -15.838 -1.303 -6.332 1.00 0.00 H new ATOM 166 N ALA A 13 -14.575 -3.158 -3.219 1.00 0.00 N ATOM 167 CA ALA A 13 -14.641 -4.242 -2.258 1.00 0.00 C ATOM 168 C ALA A 13 -13.460 -5.177 -2.438 1.00 0.00 C ATOM 169 O ALA A 13 -13.469 -6.320 -1.985 1.00 0.00 O ATOM 170 CB ALA A 13 -15.952 -4.998 -2.395 1.00 0.00 C ATOM 0 H ALA A 13 -14.480 -3.458 -4.189 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.596 -3.820 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.983 -5.808 -1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.785 -4.317 -2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.030 -5.412 -3.400 1.00 0.00 H new ATOM 176 N GLY A 14 -12.435 -4.667 -3.096 1.00 0.00 N ATOM 177 CA GLY A 14 -11.266 -5.457 -3.385 1.00 0.00 C ATOM 178 C GLY A 14 -10.317 -4.711 -4.287 1.00 0.00 C ATOM 179 O GLY A 14 -10.280 -4.943 -5.490 1.00 0.00 O ATOM 0 H GLY A 14 -12.394 -3.707 -3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.760 -5.717 -2.455 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.563 -6.393 -3.859 1.00 0.00 H new ATOM 183 N GLN A 15 -9.587 -3.777 -3.709 1.00 0.00 N ATOM 184 CA GLN A 15 -8.620 -2.986 -4.457 1.00 0.00 C ATOM 185 C GLN A 15 -7.288 -2.972 -3.727 1.00 0.00 C ATOM 186 O GLN A 15 -7.248 -3.161 -2.509 1.00 0.00 O ATOM 187 CB GLN A 15 -9.128 -1.550 -4.631 1.00 0.00 C ATOM 188 CG GLN A 15 -10.422 -1.454 -5.412 1.00 0.00 C ATOM 189 CD GLN A 15 -10.214 -1.608 -6.901 1.00 0.00 C ATOM 190 OE1 GLN A 15 -10.049 -0.626 -7.618 1.00 0.00 O ATOM 191 NE2 GLN A 15 -10.174 -2.838 -7.374 1.00 0.00 N ATOM 0 H GLN A 15 -9.644 -3.544 -2.718 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.488 -3.436 -5.441 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.273 -1.103 -3.647 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.363 -0.962 -5.138 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.111 -2.224 -5.063 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.892 -0.491 -5.212 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.316 -3.630 -6.747 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.001 -2.997 -8.367 1.00 0.00 H new ATOM 200 N CYS A 16 -6.208 -2.735 -4.459 1.00 0.00 N ATOM 201 CA CYS A 16 -4.887 -2.651 -3.853 1.00 0.00 C ATOM 202 C CYS A 16 -4.854 -1.505 -2.853 1.00 0.00 C ATOM 203 O CYS A 16 -4.369 -1.648 -1.734 1.00 0.00 O ATOM 204 CB CYS A 16 -3.820 -2.441 -4.927 1.00 0.00 C ATOM 205 SG CYS A 16 -2.367 -3.498 -4.741 1.00 0.00 S ATOM 0 H CYS A 16 -6.221 -2.598 -5.470 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.676 -3.586 -3.335 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.265 -2.622 -5.906 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.502 -1.399 -4.909 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.578 -2.996 -3.838 1.00 0.00 H new ATOM 211 N THR A 17 -5.424 -0.381 -3.257 1.00 0.00 N ATOM 212 CA THR A 17 -5.465 0.812 -2.428 1.00 0.00 C ATOM 213 C THR A 17 -6.687 0.796 -1.502 1.00 0.00 C ATOM 214 O THR A 17 -6.932 1.734 -0.748 1.00 0.00 O ATOM 215 CB THR A 17 -5.478 2.060 -3.328 1.00 0.00 C ATOM 216 OG1 THR A 17 -6.228 1.770 -4.512 1.00 0.00 O ATOM 217 CG2 THR A 17 -4.071 2.476 -3.716 1.00 0.00 C ATOM 0 H THR A 17 -5.870 -0.270 -4.167 1.00 0.00 H new ATOM 0 HA THR A 17 -4.576 0.835 -1.797 1.00 0.00 H new ATOM 0 HB THR A 17 -5.935 2.881 -2.775 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.799 2.535 -4.733 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.115 3.360 -4.352 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.498 2.703 -2.817 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.588 1.663 -4.258 1.00 0.00 H new ATOM 225 N TRP A 18 -7.449 -0.289 -1.567 1.00 0.00 N ATOM 226 CA TRP A 18 -8.574 -0.510 -0.670 1.00 0.00 C ATOM 227 C TRP A 18 -8.088 -1.261 0.563 1.00 0.00 C ATOM 228 O TRP A 18 -8.197 -0.775 1.687 1.00 0.00 O ATOM 229 CB TRP A 18 -9.657 -1.312 -1.394 1.00 0.00 C ATOM 230 CG TRP A 18 -10.837 -1.698 -0.551 1.00 0.00 C ATOM 231 CD1 TRP A 18 -11.898 -0.910 -0.213 1.00 0.00 C ATOM 232 CD2 TRP A 18 -11.089 -2.981 0.035 1.00 0.00 C ATOM 233 NE1 TRP A 18 -12.785 -1.624 0.549 1.00 0.00 N ATOM 234 CE2 TRP A 18 -12.313 -2.892 0.717 1.00 0.00 C ATOM 235 CE3 TRP A 18 -10.399 -4.195 0.052 1.00 0.00 C ATOM 236 CZ2 TRP A 18 -12.865 -3.966 1.410 1.00 0.00 C ATOM 237 CZ3 TRP A 18 -10.946 -5.261 0.739 1.00 0.00 C ATOM 238 CH2 TRP A 18 -12.168 -5.142 1.410 1.00 0.00 C ATOM 0 H TRP A 18 -7.304 -1.039 -2.243 1.00 0.00 H new ATOM 0 HA TRP A 18 -8.998 0.445 -0.361 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -10.013 -0.728 -2.243 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.207 -2.219 -1.797 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.021 0.123 -0.503 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.660 -1.264 0.930 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.455 -4.298 -0.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.808 -3.874 1.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.421 -6.204 0.759 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.568 -5.995 1.938 1.00 0.00 H new ATOM 249 N TYR A 19 -7.508 -2.434 0.321 1.00 0.00 N ATOM 250 CA TYR A 19 -7.003 -3.288 1.390 1.00 0.00 C ATOM 251 C TYR A 19 -5.988 -2.532 2.240 1.00 0.00 C ATOM 252 O TYR A 19 -6.043 -2.570 3.467 1.00 0.00 O ATOM 253 CB TYR A 19 -6.375 -4.544 0.780 1.00 0.00 C ATOM 254 CG TYR A 19 -5.744 -5.490 1.778 1.00 0.00 C ATOM 255 CD1 TYR A 19 -6.514 -6.172 2.715 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.375 -5.717 1.766 1.00 0.00 C ATOM 257 CE1 TYR A 19 -5.933 -7.053 3.610 1.00 0.00 C ATOM 258 CE2 TYR A 19 -3.790 -6.592 2.657 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.569 -7.256 3.577 1.00 0.00 C ATOM 260 OH TYR A 19 -3.983 -8.131 4.463 1.00 0.00 O ATOM 0 H TYR A 19 -7.376 -2.816 -0.615 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.828 -3.583 2.039 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.143 -5.084 0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.616 -4.240 0.060 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.582 -6.011 2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.757 -5.200 1.047 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.543 -7.578 4.330 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.723 -6.756 2.633 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.016 -8.158 4.305 1.00 0.00 H new ATOM 270 N VAL A 20 -5.078 -1.835 1.570 1.00 0.00 N ATOM 271 CA VAL A 20 -4.085 -0.998 2.239 1.00 0.00 C ATOM 272 C VAL A 20 -4.734 -0.024 3.227 1.00 0.00 C ATOM 273 O VAL A 20 -4.340 0.051 4.390 1.00 0.00 O ATOM 274 CB VAL A 20 -3.260 -0.198 1.207 1.00 0.00 C ATOM 275 CG1 VAL A 20 -2.471 0.914 1.876 1.00 0.00 C ATOM 276 CG2 VAL A 20 -2.325 -1.121 0.442 1.00 0.00 C ATOM 0 H VAL A 20 -5.006 -1.833 0.553 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.428 -1.668 2.794 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.957 0.258 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.901 1.459 1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.158 1.597 2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.788 0.485 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.752 -0.540 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.643 -1.608 1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.909 -1.878 -0.082 1.00 0.00 H new ATOM 286 N TYR A 21 -5.740 0.702 2.755 1.00 0.00 N ATOM 287 CA TYR A 21 -6.384 1.744 3.548 1.00 0.00 C ATOM 288 C TYR A 21 -7.050 1.157 4.791 1.00 0.00 C ATOM 289 O TYR A 21 -6.981 1.735 5.877 1.00 0.00 O ATOM 290 CB TYR A 21 -7.411 2.483 2.685 1.00 0.00 C ATOM 291 CG TYR A 21 -8.016 3.698 3.339 1.00 0.00 C ATOM 292 CD1 TYR A 21 -7.293 4.874 3.466 1.00 0.00 C ATOM 293 CD2 TYR A 21 -9.317 3.672 3.818 1.00 0.00 C ATOM 294 CE1 TYR A 21 -7.851 5.991 4.056 1.00 0.00 C ATOM 295 CE2 TYR A 21 -9.884 4.784 4.403 1.00 0.00 C ATOM 296 CZ TYR A 21 -9.147 5.942 4.523 1.00 0.00 C ATOM 297 OH TYR A 21 -9.707 7.055 5.107 1.00 0.00 O ATOM 0 H TYR A 21 -6.131 0.587 1.820 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.623 2.449 3.883 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.933 2.787 1.754 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.211 1.791 2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.278 4.917 3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.896 2.765 3.731 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.274 6.899 4.151 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.901 4.748 4.765 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.626 6.853 5.381 1.00 0.00 H new ATOM 307 N ASP A 22 -7.687 0.010 4.633 1.00 0.00 N ATOM 308 CA ASP A 22 -8.347 -0.651 5.754 1.00 0.00 C ATOM 309 C ASP A 22 -7.342 -1.242 6.743 1.00 0.00 C ATOM 310 O ASP A 22 -7.627 -1.351 7.937 1.00 0.00 O ATOM 311 CB ASP A 22 -9.302 -1.736 5.262 1.00 0.00 C ATOM 312 CG ASP A 22 -10.589 -1.157 4.717 1.00 0.00 C ATOM 313 OD1 ASP A 22 -11.545 -0.968 5.508 1.00 0.00 O ATOM 314 OD2 ASP A 22 -10.652 -0.865 3.508 1.00 0.00 O ATOM 0 H ASP A 22 -7.763 -0.485 3.744 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.921 0.112 6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.813 -2.324 4.486 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.530 -2.417 6.082 1.00 0.00 H new ATOM 319 N LYS A 23 -6.168 -1.615 6.248 1.00 0.00 N ATOM 320 CA LYS A 23 -5.142 -2.226 7.090 1.00 0.00 C ATOM 321 C LYS A 23 -4.368 -1.176 7.883 1.00 0.00 C ATOM 322 O LYS A 23 -3.669 -1.505 8.839 1.00 0.00 O ATOM 323 CB LYS A 23 -4.179 -3.060 6.242 1.00 0.00 C ATOM 324 CG LYS A 23 -4.810 -4.316 5.660 1.00 0.00 C ATOM 325 CD LYS A 23 -5.094 -5.360 6.732 1.00 0.00 C ATOM 326 CE LYS A 23 -3.810 -5.969 7.277 1.00 0.00 C ATOM 327 NZ LYS A 23 -4.080 -7.055 8.255 1.00 0.00 N ATOM 0 H LYS A 23 -5.901 -1.506 5.270 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.647 -2.879 7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.799 -2.444 5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.322 -3.344 6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.739 -4.054 5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.146 -4.740 4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.654 -4.902 7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.723 -6.147 6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.217 -6.363 6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.214 -5.191 7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.179 -7.442 8.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.624 -6.674 9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.627 -7.810 7.793 1.00 0.00 H new ATOM 341 N VAL A 24 -4.483 0.085 7.484 1.00 0.00 N ATOM 342 CA VAL A 24 -3.827 1.167 8.214 1.00 0.00 C ATOM 343 C VAL A 24 -4.817 1.888 9.124 1.00 0.00 C ATOM 344 O VAL A 24 -4.490 2.904 9.738 1.00 0.00 O ATOM 345 CB VAL A 24 -3.154 2.189 7.270 1.00 0.00 C ATOM 346 CG1 VAL A 24 -2.096 1.507 6.420 1.00 0.00 C ATOM 347 CG2 VAL A 24 -4.183 2.887 6.395 1.00 0.00 C ATOM 0 H VAL A 24 -5.018 0.383 6.668 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.047 0.704 8.819 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.669 2.949 7.882 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.631 2.240 5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.337 1.068 7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.560 0.723 5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.681 3.600 5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.708 2.148 5.790 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.899 3.414 7.025 1.00 0.00 H new ATOM 357 N GLY A 25 -6.036 1.359 9.188 1.00 0.00 N ATOM 358 CA GLY A 25 -7.052 1.910 10.068 1.00 0.00 C ATOM 359 C GLY A 25 -7.653 3.200 9.547 1.00 0.00 C ATOM 360 O GLY A 25 -8.440 3.851 10.238 1.00 0.00 O ATOM 0 H GLY A 25 -6.340 0.553 8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.845 1.175 10.202 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.615 2.090 11.050 1.00 0.00 H new ATOM 364 N GLY A 26 -7.294 3.567 8.325 1.00 0.00 N ATOM 365 CA GLY A 26 -7.799 4.791 7.737 1.00 0.00 C ATOM 366 C GLY A 26 -7.043 6.019 8.205 1.00 0.00 C ATOM 367 O GLY A 26 -7.546 7.136 8.097 1.00 0.00 O ATOM 0 H GLY A 26 -6.659 3.036 7.728 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.735 4.721 6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.854 4.901 7.987 1.00 0.00 H new ATOM 371 N GLU A 27 -5.841 5.811 8.741 1.00 0.00 N ATOM 372 CA GLU A 27 -4.988 6.918 9.163 1.00 0.00 C ATOM 373 C GLU A 27 -4.646 7.797 7.967 1.00 0.00 C ATOM 374 O GLU A 27 -4.912 8.997 7.959 1.00 0.00 O ATOM 375 CB GLU A 27 -3.707 6.389 9.823 1.00 0.00 C ATOM 376 CG GLU A 27 -2.740 7.481 10.270 1.00 0.00 C ATOM 377 CD GLU A 27 -3.302 8.360 11.371 1.00 0.00 C ATOM 378 OE1 GLU A 27 -4.046 9.313 11.064 1.00 0.00 O ATOM 379 OE2 GLU A 27 -2.987 8.113 12.552 1.00 0.00 O ATOM 0 H GLU A 27 -5.437 4.887 8.893 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.528 7.517 9.896 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.980 5.784 10.688 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.195 5.730 9.122 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.816 7.019 10.618 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.482 8.103 9.413 1.00 0.00 H new ATOM 386 N ILE A 28 -4.069 7.186 6.946 1.00 0.00 N ATOM 387 CA ILE A 28 -3.733 7.905 5.730 1.00 0.00 C ATOM 388 C ILE A 28 -4.519 7.322 4.566 1.00 0.00 C ATOM 389 O ILE A 28 -4.895 6.152 4.606 1.00 0.00 O ATOM 390 CB ILE A 28 -2.206 7.853 5.412 1.00 0.00 C ATOM 391 CG1 ILE A 28 -1.853 6.751 4.390 1.00 0.00 C ATOM 392 CG2 ILE A 28 -1.390 7.674 6.685 1.00 0.00 C ATOM 393 CD1 ILE A 28 -1.991 5.326 4.894 1.00 0.00 C ATOM 0 H ILE A 28 -3.824 6.196 6.935 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.997 8.952 5.881 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.949 8.810 4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.492 6.872 3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.826 6.903 4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.329 7.641 6.436 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.578 8.510 7.359 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.677 6.743 7.173 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.720 4.631 4.099 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.330 5.177 5.748 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.022 5.146 5.197 1.00 0.00 H new ATOM 405 N GLY A 29 -4.796 8.124 3.547 1.00 0.00 N ATOM 406 CA GLY A 29 -5.356 7.565 2.341 1.00 0.00 C ATOM 407 C GLY A 29 -6.450 8.390 1.717 1.00 0.00 C ATOM 408 O GLY A 29 -6.412 9.617 1.775 1.00 0.00 O ATOM 0 H GLY A 29 -4.645 9.133 3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.557 7.434 1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.749 6.573 2.564 1.00 0.00 H new ATOM 412 N SER A 30 -7.402 7.669 1.107 1.00 0.00 N ATOM 413 CA SER A 30 -8.562 8.221 0.390 1.00 0.00 C ATOM 414 C SER A 30 -8.160 9.132 -0.777 1.00 0.00 C ATOM 415 O SER A 30 -8.398 8.801 -1.940 1.00 0.00 O ATOM 416 CB SER A 30 -9.551 8.926 1.341 1.00 0.00 C ATOM 417 OG SER A 30 -8.993 10.064 1.974 1.00 0.00 O ATOM 0 H SER A 30 -7.385 6.649 1.099 1.00 0.00 H new ATOM 0 HA SER A 30 -9.080 7.366 -0.044 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.435 9.226 0.779 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.882 8.219 2.102 1.00 0.00 H new ATOM 0 HG SER A 30 -8.095 9.849 2.302 1.00 0.00 H new ATOM 423 N THR A 31 -7.515 10.241 -0.475 1.00 0.00 N ATOM 424 CA THR A 31 -7.218 11.255 -1.473 1.00 0.00 C ATOM 425 C THR A 31 -5.849 11.029 -2.123 1.00 0.00 C ATOM 426 O THR A 31 -5.353 11.891 -2.854 1.00 0.00 O ATOM 427 CB THR A 31 -7.283 12.674 -0.853 1.00 0.00 C ATOM 428 OG1 THR A 31 -7.127 13.673 -1.868 1.00 0.00 O ATOM 429 CG2 THR A 31 -6.213 12.859 0.215 1.00 0.00 C ATOM 0 H THR A 31 -7.183 10.466 0.463 1.00 0.00 H new ATOM 0 HA THR A 31 -7.978 11.172 -2.250 1.00 0.00 H new ATOM 0 HB THR A 31 -8.262 12.785 -0.386 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.465 13.371 -2.525 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.284 13.864 0.631 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.360 12.126 1.009 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.228 12.719 -0.229 1.00 0.00 H new ATOM 437 N TRP A 32 -5.250 9.863 -1.888 1.00 0.00 N ATOM 438 CA TRP A 32 -3.948 9.556 -2.481 1.00 0.00 C ATOM 439 C TRP A 32 -4.081 9.167 -3.958 1.00 0.00 C ATOM 440 O TRP A 32 -3.083 8.926 -4.638 1.00 0.00 O ATOM 441 CB TRP A 32 -3.223 8.455 -1.703 1.00 0.00 C ATOM 442 CG TRP A 32 -3.990 7.177 -1.616 1.00 0.00 C ATOM 443 CD1 TRP A 32 -4.857 6.683 -2.537 1.00 0.00 C ATOM 444 CD2 TRP A 32 -3.944 6.226 -0.557 1.00 0.00 C ATOM 445 NE1 TRP A 32 -5.368 5.496 -2.119 1.00 0.00 N ATOM 446 CE2 TRP A 32 -4.824 5.183 -0.899 1.00 0.00 C ATOM 447 CE3 TRP A 32 -3.245 6.158 0.647 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -5.026 4.084 -0.071 1.00 0.00 C ATOM 449 CZ3 TRP A 32 -3.446 5.064 1.469 1.00 0.00 C ATOM 450 CH2 TRP A 32 -4.331 4.041 1.106 1.00 0.00 C ATOM 0 H TRP A 32 -5.637 9.125 -1.300 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.349 10.465 -2.422 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.261 8.260 -2.178 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.014 8.812 -0.695 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.105 7.166 -3.471 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.046 4.930 -2.629 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.561 6.943 0.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.707 3.293 -0.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -2.912 4.998 2.405 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.468 3.200 1.770 1.00 0.00 H new ATOM 461 N GLY A 33 -5.312 9.099 -4.445 1.00 0.00 N ATOM 462 CA GLY A 33 -5.527 8.757 -5.832 1.00 0.00 C ATOM 463 C GLY A 33 -5.540 7.269 -6.045 1.00 0.00 C ATOM 464 O GLY A 33 -6.519 6.598 -5.727 1.00 0.00 O ATOM 0 H GLY A 33 -6.160 9.274 -3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.473 9.180 -6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.743 9.205 -6.442 1.00 0.00 H new ATOM 468 N ASN A 34 -4.448 6.771 -6.599 1.00 0.00 N ATOM 469 CA ASN A 34 -4.196 5.348 -6.702 1.00 0.00 C ATOM 470 C ASN A 34 -2.704 5.102 -6.579 1.00 0.00 C ATOM 471 O ASN A 34 -1.934 6.040 -6.373 1.00 0.00 O ATOM 472 CB ASN A 34 -4.726 4.750 -8.008 1.00 0.00 C ATOM 473 CG ASN A 34 -6.168 4.284 -7.901 1.00 0.00 C ATOM 474 OD1 ASN A 34 -6.438 3.183 -7.423 1.00 0.00 O ATOM 475 ND2 ASN A 34 -7.097 5.104 -8.361 1.00 0.00 N ATOM 0 H ASN A 34 -3.706 7.350 -6.993 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.731 4.852 -5.892 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.648 5.494 -8.801 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.098 3.908 -8.298 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -8.079 4.832 -8.327 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.831 6.009 -8.750 1.00 0.00 H new ATOM 482 N ALA A 35 -2.300 3.855 -6.744 1.00 0.00 N ATOM 483 CA ALA A 35 -0.939 3.427 -6.439 1.00 0.00 C ATOM 484 C ALA A 35 0.134 4.204 -7.210 1.00 0.00 C ATOM 485 O ALA A 35 1.206 4.472 -6.674 1.00 0.00 O ATOM 486 CB ALA A 35 -0.808 1.939 -6.705 1.00 0.00 C ATOM 0 H ALA A 35 -2.902 3.109 -7.092 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.765 3.641 -5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.208 1.617 -6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.511 1.394 -6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.027 1.736 -7.753 1.00 0.00 H new ATOM 492 N ASN A 36 -0.148 4.564 -8.456 1.00 0.00 N ATOM 493 CA ASN A 36 0.847 5.234 -9.300 1.00 0.00 C ATOM 494 C ASN A 36 0.924 6.735 -9.025 1.00 0.00 C ATOM 495 O ASN A 36 1.831 7.415 -9.507 1.00 0.00 O ATOM 496 CB ASN A 36 0.569 4.983 -10.793 1.00 0.00 C ATOM 497 CG ASN A 36 -0.820 5.418 -11.248 1.00 0.00 C ATOM 498 OD1 ASN A 36 -1.433 6.320 -10.678 1.00 0.00 O ATOM 499 ND2 ASN A 36 -1.320 4.784 -12.299 1.00 0.00 N ATOM 0 H ASN A 36 -1.049 4.407 -8.907 1.00 0.00 H new ATOM 0 HA ASN A 36 1.814 4.801 -9.044 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.316 5.512 -11.385 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.692 3.920 -11.001 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.240 5.040 -12.659 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.785 4.041 -12.748 1.00 0.00 H new ATOM 506 N ASN A 37 -0.013 7.243 -8.244 1.00 0.00 N ATOM 507 CA ASN A 37 -0.061 8.667 -7.938 1.00 0.00 C ATOM 508 C ASN A 37 0.096 8.872 -6.434 1.00 0.00 C ATOM 509 O ASN A 37 -0.058 9.977 -5.920 1.00 0.00 O ATOM 510 CB ASN A 37 -1.387 9.258 -8.436 1.00 0.00 C ATOM 511 CG ASN A 37 -1.443 10.777 -8.360 1.00 0.00 C ATOM 512 OD1 ASN A 37 -0.934 11.473 -9.240 1.00 0.00 O ATOM 513 ND2 ASN A 37 -2.089 11.302 -7.330 1.00 0.00 N ATOM 0 H ASN A 37 -0.753 6.692 -7.808 1.00 0.00 H new ATOM 0 HA ASN A 37 0.756 9.181 -8.444 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.549 8.948 -9.468 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.205 8.843 -7.847 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.178 12.315 -7.246 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.498 10.694 -6.621 1.00 0.00 H new ATOM 520 N TRP A 38 0.440 7.788 -5.749 1.00 0.00 N ATOM 521 CA TRP A 38 0.519 7.773 -4.293 1.00 0.00 C ATOM 522 C TRP A 38 1.412 8.867 -3.741 1.00 0.00 C ATOM 523 O TRP A 38 0.934 9.766 -3.065 1.00 0.00 O ATOM 524 CB TRP A 38 1.030 6.429 -3.808 1.00 0.00 C ATOM 525 CG TRP A 38 0.011 5.653 -3.063 1.00 0.00 C ATOM 526 CD1 TRP A 38 -1.272 5.402 -3.443 1.00 0.00 C ATOM 527 CD2 TRP A 38 0.195 5.021 -1.798 1.00 0.00 C ATOM 528 NE1 TRP A 38 -1.903 4.660 -2.490 1.00 0.00 N ATOM 529 CE2 TRP A 38 -1.023 4.416 -1.456 1.00 0.00 C ATOM 530 CE3 TRP A 38 1.277 4.913 -0.921 1.00 0.00 C ATOM 531 CZ2 TRP A 38 -1.183 3.715 -0.261 1.00 0.00 C ATOM 532 CZ3 TRP A 38 1.115 4.220 0.253 1.00 0.00 C ATOM 533 CH2 TRP A 38 -0.106 3.634 0.576 1.00 0.00 C ATOM 0 H TRP A 38 0.672 6.896 -6.186 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.492 7.952 -3.928 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.368 5.845 -4.664 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.898 6.587 -3.167 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.723 5.741 -4.364 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.870 4.337 -2.534 1.00 0.00 H new ATOM 0 HE3 TRP A 38 2.226 5.368 -1.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.125 3.252 -0.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.947 4.128 0.936 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.204 3.102 1.511 1.00 0.00 H new ATOM 544 N ALA A 39 2.706 8.785 -4.032 1.00 0.00 N ATOM 545 CA ALA A 39 3.680 9.717 -3.470 1.00 0.00 C ATOM 546 C ALA A 39 3.267 11.167 -3.708 1.00 0.00 C ATOM 547 O ALA A 39 3.426 12.015 -2.836 1.00 0.00 O ATOM 548 CB ALA A 39 5.061 9.455 -4.050 1.00 0.00 C ATOM 0 H ALA A 39 3.106 8.083 -4.654 1.00 0.00 H new ATOM 0 HA ALA A 39 3.714 9.554 -2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.775 10.158 -3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.368 8.436 -3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.031 9.583 -5.132 1.00 0.00 H new ATOM 554 N ALA A 40 2.706 11.435 -4.878 1.00 0.00 N ATOM 555 CA ALA A 40 2.295 12.783 -5.240 1.00 0.00 C ATOM 556 C ALA A 40 1.085 13.238 -4.425 1.00 0.00 C ATOM 557 O ALA A 40 1.078 14.335 -3.866 1.00 0.00 O ATOM 558 CB ALA A 40 1.993 12.848 -6.726 1.00 0.00 C ATOM 0 H ALA A 40 2.525 10.733 -5.596 1.00 0.00 H new ATOM 0 HA ALA A 40 3.116 13.462 -5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.686 13.860 -6.991 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.886 12.580 -7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.190 12.151 -6.965 1.00 0.00 H new ATOM 564 N ALA A 41 0.067 12.389 -4.348 1.00 0.00 N ATOM 565 CA ALA A 41 -1.152 12.726 -3.622 1.00 0.00 C ATOM 566 C ALA A 41 -0.923 12.678 -2.118 1.00 0.00 C ATOM 567 O ALA A 41 -1.489 13.472 -1.367 1.00 0.00 O ATOM 568 CB ALA A 41 -2.283 11.794 -4.017 1.00 0.00 C ATOM 0 H ALA A 41 0.061 11.464 -4.778 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.432 13.745 -3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.184 12.061 -3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.472 11.885 -5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.006 10.766 -3.784 1.00 0.00 H new ATOM 574 N ALA A 42 -0.090 11.739 -1.690 1.00 0.00 N ATOM 575 CA ALA A 42 0.293 11.615 -0.293 1.00 0.00 C ATOM 576 C ALA A 42 0.914 12.917 0.200 1.00 0.00 C ATOM 577 O ALA A 42 0.498 13.467 1.219 1.00 0.00 O ATOM 578 CB ALA A 42 1.279 10.469 -0.129 1.00 0.00 C ATOM 0 H ALA A 42 0.338 11.044 -2.301 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.596 11.406 0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.563 10.380 0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.815 9.540 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.167 10.664 -0.730 1.00 0.00 H new ATOM 584 N GLN A 43 1.901 13.414 -0.544 1.00 0.00 N ATOM 585 CA GLN A 43 2.568 14.666 -0.202 1.00 0.00 C ATOM 586 C GLN A 43 1.592 15.833 -0.276 1.00 0.00 C ATOM 587 O GLN A 43 1.652 16.756 0.535 1.00 0.00 O ATOM 588 CB GLN A 43 3.757 14.915 -1.133 1.00 0.00 C ATOM 589 CG GLN A 43 4.888 13.916 -0.953 1.00 0.00 C ATOM 590 CD GLN A 43 6.041 14.148 -1.910 1.00 0.00 C ATOM 591 OE1 GLN A 43 5.855 14.628 -3.029 1.00 0.00 O ATOM 592 NE2 GLN A 43 7.246 13.827 -1.468 1.00 0.00 N ATOM 0 H GLN A 43 2.256 12.966 -1.389 1.00 0.00 H new ATOM 0 HA GLN A 43 2.936 14.585 0.821 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.413 14.879 -2.167 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.140 15.921 -0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.256 13.973 0.071 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.501 12.907 -1.097 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.358 13.432 -0.534 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.063 13.975 -2.061 1.00 0.00 H new ATOM 601 N GLY A 44 0.687 15.776 -1.246 1.00 0.00 N ATOM 602 CA GLY A 44 -0.333 16.801 -1.377 1.00 0.00 C ATOM 603 C GLY A 44 -1.257 16.839 -0.175 1.00 0.00 C ATOM 604 O GLY A 44 -1.629 17.914 0.300 1.00 0.00 O ATOM 0 H GLY A 44 0.641 15.036 -1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.144 17.774 -1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.918 16.618 -2.278 1.00 0.00 H new ATOM 608 N ALA A 45 -1.621 15.661 0.319 1.00 0.00 N ATOM 609 CA ALA A 45 -2.459 15.547 1.506 1.00 0.00 C ATOM 610 C ALA A 45 -1.690 15.981 2.748 1.00 0.00 C ATOM 611 O ALA A 45 -2.263 16.545 3.681 1.00 0.00 O ATOM 612 CB ALA A 45 -2.964 14.121 1.669 1.00 0.00 C ATOM 0 H ALA A 45 -1.347 14.767 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.318 16.207 1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.588 14.056 2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.551 13.841 0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.116 13.444 1.769 1.00 0.00 H new ATOM 618 N GLY A 46 -0.391 15.714 2.753 1.00 0.00 N ATOM 619 CA GLY A 46 0.445 16.147 3.851 1.00 0.00 C ATOM 620 C GLY A 46 1.223 15.013 4.491 1.00 0.00 C ATOM 621 O GLY A 46 1.642 15.121 5.643 1.00 0.00 O ATOM 0 H GLY A 46 0.097 15.205 2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.144 16.902 3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.178 16.624 4.607 1.00 0.00 H new ATOM 625 N PHE A 47 1.420 13.923 3.756 1.00 0.00 N ATOM 626 CA PHE A 47 2.196 12.804 4.274 1.00 0.00 C ATOM 627 C PHE A 47 3.673 13.014 3.964 1.00 0.00 C ATOM 628 O PHE A 47 4.027 13.735 3.031 1.00 0.00 O ATOM 629 CB PHE A 47 1.761 11.460 3.664 1.00 0.00 C ATOM 630 CG PHE A 47 0.282 11.166 3.706 1.00 0.00 C ATOM 631 CD1 PHE A 47 -0.566 11.812 4.591 1.00 0.00 C ATOM 632 CD2 PHE A 47 -0.255 10.237 2.828 1.00 0.00 C ATOM 633 CE1 PHE A 47 -1.921 11.531 4.596 1.00 0.00 C ATOM 634 CE2 PHE A 47 -1.603 9.954 2.823 1.00 0.00 C ATOM 635 CZ PHE A 47 -2.439 10.606 3.705 1.00 0.00 C ATOM 0 H PHE A 47 1.058 13.792 2.812 1.00 0.00 H new ATOM 0 HA PHE A 47 2.023 12.768 5.350 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.088 11.432 2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.286 10.659 4.185 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.167 12.540 5.282 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.396 9.725 2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.574 12.033 5.294 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.003 9.226 2.133 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.498 10.395 3.701 1.00 0.00 H new ATOM 645 N THR A 48 4.520 12.379 4.749 1.00 0.00 N ATOM 646 CA THR A 48 5.942 12.367 4.490 1.00 0.00 C ATOM 647 C THR A 48 6.308 11.064 3.801 1.00 0.00 C ATOM 648 O THR A 48 6.239 9.991 4.410 1.00 0.00 O ATOM 649 CB THR A 48 6.743 12.481 5.796 1.00 0.00 C ATOM 650 OG1 THR A 48 6.153 13.481 6.641 1.00 0.00 O ATOM 651 CG2 THR A 48 8.188 12.848 5.509 1.00 0.00 C ATOM 0 H THR A 48 4.241 11.859 5.581 1.00 0.00 H new ATOM 0 HA THR A 48 6.186 13.220 3.857 1.00 0.00 H new ATOM 0 HB THR A 48 6.721 11.515 6.300 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.542 13.053 7.276 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.737 12.924 6.447 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.642 12.079 4.884 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.224 13.805 4.989 1.00 0.00 H new ATOM 659 N VAL A 49 6.659 11.135 2.531 1.00 0.00 N ATOM 660 CA VAL A 49 6.980 9.934 1.795 1.00 0.00 C ATOM 661 C VAL A 49 8.491 9.769 1.678 1.00 0.00 C ATOM 662 O VAL A 49 9.218 10.691 1.300 1.00 0.00 O ATOM 663 CB VAL A 49 6.299 9.885 0.395 1.00 0.00 C ATOM 664 CG1 VAL A 49 5.027 10.718 0.382 1.00 0.00 C ATOM 665 CG2 VAL A 49 7.238 10.301 -0.731 1.00 0.00 C ATOM 0 H VAL A 49 6.728 12.001 1.996 1.00 0.00 H new ATOM 0 HA VAL A 49 6.577 9.094 2.361 1.00 0.00 H new ATOM 0 HB VAL A 49 6.034 8.844 0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.570 10.668 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.330 10.329 1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.268 11.754 0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.710 10.248 -1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.579 11.322 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.097 9.631 -0.755 1.00 0.00 H new ATOM 675 N ASN A 50 8.955 8.605 2.076 1.00 0.00 N ATOM 676 CA ASN A 50 10.329 8.223 1.891 1.00 0.00 C ATOM 677 C ASN A 50 10.285 6.940 1.099 1.00 0.00 C ATOM 678 O ASN A 50 9.363 6.735 0.314 1.00 0.00 O ATOM 679 CB ASN A 50 11.036 7.993 3.238 1.00 0.00 C ATOM 680 CG ASN A 50 10.833 9.116 4.238 1.00 0.00 C ATOM 681 OD1 ASN A 50 10.669 10.281 3.877 1.00 0.00 O ATOM 682 ND2 ASN A 50 10.851 8.768 5.515 1.00 0.00 N ATOM 0 H ASN A 50 8.384 7.897 2.538 1.00 0.00 H new ATOM 0 HA ASN A 50 10.889 9.006 1.380 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.673 7.062 3.673 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.104 7.867 3.060 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.726 9.476 6.238 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.990 7.792 5.776 1.00 0.00 H new ATOM 689 N HIS A 51 11.228 6.063 1.323 1.00 0.00 N ATOM 690 CA HIS A 51 11.176 4.761 0.698 1.00 0.00 C ATOM 691 C HIS A 51 11.851 3.708 1.566 1.00 0.00 C ATOM 692 O HIS A 51 12.964 3.260 1.296 1.00 0.00 O ATOM 693 CB HIS A 51 11.759 4.791 -0.725 1.00 0.00 C ATOM 694 CG HIS A 51 13.120 5.410 -0.855 1.00 0.00 C ATOM 695 ND1 HIS A 51 14.284 4.736 -0.573 1.00 0.00 N ATOM 696 CD2 HIS A 51 13.495 6.641 -1.274 1.00 0.00 C ATOM 697 CE1 HIS A 51 15.316 5.522 -0.815 1.00 0.00 C ATOM 698 NE2 HIS A 51 14.867 6.685 -1.243 1.00 0.00 N ATOM 0 H HIS A 51 12.035 6.221 1.927 1.00 0.00 H new ATOM 0 HA HIS A 51 10.127 4.481 0.603 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.807 3.769 -1.100 1.00 0.00 H new ATOM 0 HB3 HIS A 51 11.069 5.335 -1.370 1.00 0.00 H new ATOM 0 HD1 HIS A 51 14.341 3.777 -0.230 1.00 0.00 H new ATOM 0 HD2 HIS A 51 12.836 7.441 -1.577 1.00 0.00 H new ATOM 0 HE1 HIS A 51 16.355 5.257 -0.684 1.00 0.00 H new ATOM 707 N THR A 52 11.163 3.351 2.637 1.00 0.00 N ATOM 708 CA THR A 52 11.646 2.360 3.578 1.00 0.00 C ATOM 709 C THR A 52 10.457 1.633 4.206 1.00 0.00 C ATOM 710 O THR A 52 9.919 2.086 5.215 1.00 0.00 O ATOM 711 CB THR A 52 12.485 3.017 4.700 1.00 0.00 C ATOM 712 OG1 THR A 52 13.448 3.925 4.140 1.00 0.00 O ATOM 713 CG2 THR A 52 13.207 1.964 5.528 1.00 0.00 C ATOM 0 H THR A 52 10.252 3.742 2.877 1.00 0.00 H new ATOM 0 HA THR A 52 12.279 1.656 3.037 1.00 0.00 H new ATOM 0 HB THR A 52 11.802 3.567 5.347 1.00 0.00 H new ATOM 0 HG1 THR A 52 13.970 4.334 4.861 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.789 2.452 6.310 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.476 1.296 5.984 1.00 0.00 H new ATOM 0 HG23 THR A 52 13.873 1.389 4.885 1.00 0.00 H new ATOM 721 N PRO A 53 9.993 0.532 3.592 1.00 0.00 N ATOM 722 CA PRO A 53 8.858 -0.242 4.109 1.00 0.00 C ATOM 723 C PRO A 53 9.064 -0.682 5.556 1.00 0.00 C ATOM 724 O PRO A 53 10.177 -1.009 5.967 1.00 0.00 O ATOM 725 CB PRO A 53 8.796 -1.462 3.180 1.00 0.00 C ATOM 726 CG PRO A 53 10.114 -1.488 2.482 1.00 0.00 C ATOM 727 CD PRO A 53 10.523 -0.056 2.352 1.00 0.00 C ATOM 0 HA PRO A 53 7.940 0.346 4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.631 -2.379 3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.975 -1.374 2.468 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.849 -2.056 3.052 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.032 -1.963 1.505 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.605 0.053 2.280 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.095 0.411 1.465 1.00 0.00 H new ATOM 735 N SER A 54 7.981 -0.704 6.320 1.00 0.00 N ATOM 736 CA SER A 54 8.054 -0.996 7.737 1.00 0.00 C ATOM 737 C SER A 54 6.703 -1.499 8.227 1.00 0.00 C ATOM 738 O SER A 54 5.684 -1.300 7.562 1.00 0.00 O ATOM 739 CB SER A 54 8.481 0.257 8.514 1.00 0.00 C ATOM 740 OG SER A 54 8.602 -0.010 9.903 1.00 0.00 O ATOM 0 H SER A 54 7.038 -0.521 5.976 1.00 0.00 H new ATOM 0 HA SER A 54 8.799 -1.773 7.907 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.434 0.619 8.127 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.751 1.051 8.357 1.00 0.00 H new ATOM 0 HG SER A 54 8.877 0.806 10.370 1.00 0.00 H new ATOM 746 N LYS A 55 6.703 -2.144 9.383 1.00 0.00 N ATOM 747 CA LYS A 55 5.501 -2.752 9.936 1.00 0.00 C ATOM 748 C LYS A 55 4.420 -1.698 10.187 1.00 0.00 C ATOM 749 O LYS A 55 4.583 -0.808 11.023 1.00 0.00 O ATOM 750 CB LYS A 55 5.851 -3.481 11.236 1.00 0.00 C ATOM 751 CG LYS A 55 4.721 -4.320 11.803 1.00 0.00 C ATOM 752 CD LYS A 55 5.198 -5.182 12.959 1.00 0.00 C ATOM 753 CE LYS A 55 4.138 -6.184 13.383 1.00 0.00 C ATOM 754 NZ LYS A 55 4.628 -7.084 14.459 1.00 0.00 N ATOM 0 H LYS A 55 7.533 -2.261 9.964 1.00 0.00 H new ATOM 0 HA LYS A 55 5.106 -3.468 9.216 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.712 -4.125 11.058 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.152 -2.745 11.982 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.916 -3.668 12.141 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.309 -4.955 11.019 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.105 -5.712 12.668 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.458 -4.546 13.805 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.253 -5.651 13.730 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.835 -6.779 12.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.876 -7.753 14.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.458 -7.611 14.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.893 -6.519 15.291 1.00 0.00 H new ATOM 768 N GLY A 56 3.333 -1.786 9.433 1.00 0.00 N ATOM 769 CA GLY A 56 2.238 -0.852 9.598 1.00 0.00 C ATOM 770 C GLY A 56 2.210 0.202 8.510 1.00 0.00 C ATOM 771 O GLY A 56 1.254 0.970 8.408 1.00 0.00 O ATOM 0 H GLY A 56 3.190 -2.489 8.708 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.295 -1.398 9.596 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.322 -0.365 10.570 1.00 0.00 H new ATOM 775 N ALA A 57 3.258 0.245 7.698 1.00 0.00 N ATOM 776 CA ALA A 57 3.329 1.200 6.603 1.00 0.00 C ATOM 777 C ALA A 57 2.911 0.541 5.296 1.00 0.00 C ATOM 778 O ALA A 57 2.349 -0.553 5.300 1.00 0.00 O ATOM 779 CB ALA A 57 4.727 1.778 6.480 1.00 0.00 C ATOM 0 H ALA A 57 4.068 -0.369 7.778 1.00 0.00 H new ATOM 0 HA ALA A 57 2.640 2.017 6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.755 2.489 5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.993 2.287 7.407 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.438 0.974 6.290 1.00 0.00 H new ATOM 785 N ILE A 58 3.182 1.200 4.178 1.00 0.00 N ATOM 786 CA ILE A 58 2.762 0.692 2.882 1.00 0.00 C ATOM 787 C ILE A 58 3.887 0.800 1.858 1.00 0.00 C ATOM 788 O ILE A 58 4.668 1.741 1.879 1.00 0.00 O ATOM 789 CB ILE A 58 1.533 1.447 2.331 1.00 0.00 C ATOM 790 CG1 ILE A 58 0.436 1.598 3.390 1.00 0.00 C ATOM 791 CG2 ILE A 58 0.981 0.731 1.109 1.00 0.00 C ATOM 792 CD1 ILE A 58 0.585 2.831 4.257 1.00 0.00 C ATOM 0 H ILE A 58 3.689 2.084 4.143 1.00 0.00 H new ATOM 0 HA ILE A 58 2.497 -0.353 3.039 1.00 0.00 H new ATOM 0 HB ILE A 58 1.862 2.447 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.533 1.631 2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.437 0.715 4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.115 1.273 0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.748 0.687 0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.684 -0.281 1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.229 2.867 4.981 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.538 2.792 4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.553 3.722 3.630 1.00 0.00 H new ATOM 804 N LEU A 59 3.947 -0.178 0.970 1.00 0.00 N ATOM 805 CA LEU A 59 4.911 -0.209 -0.117 1.00 0.00 C ATOM 806 C LEU A 59 4.308 0.485 -1.337 1.00 0.00 C ATOM 807 O LEU A 59 3.102 0.386 -1.552 1.00 0.00 O ATOM 808 CB LEU A 59 5.211 -1.668 -0.446 1.00 0.00 C ATOM 809 CG LEU A 59 6.450 -1.923 -1.279 1.00 0.00 C ATOM 810 CD1 LEU A 59 7.684 -1.951 -0.390 1.00 0.00 C ATOM 811 CD2 LEU A 59 6.299 -3.218 -2.059 1.00 0.00 C ATOM 0 H LEU A 59 3.320 -0.982 0.984 1.00 0.00 H new ATOM 0 HA LEU A 59 5.830 0.304 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.308 -2.218 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.352 -2.084 -0.972 1.00 0.00 H new ATOM 0 HG LEU A 59 6.573 -1.112 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.568 -2.135 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.788 -0.993 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.582 -2.745 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.196 -3.391 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.159 -4.047 -1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.434 -3.147 -2.718 1.00 0.00 H new ATOM 823 N GLN A 60 5.117 1.177 -2.136 1.00 0.00 N ATOM 824 CA GLN A 60 4.576 1.920 -3.270 1.00 0.00 C ATOM 825 C GLN A 60 5.598 2.130 -4.382 1.00 0.00 C ATOM 826 O GLN A 60 6.782 2.315 -4.137 1.00 0.00 O ATOM 827 CB GLN A 60 4.037 3.268 -2.783 1.00 0.00 C ATOM 828 CG GLN A 60 3.278 4.065 -3.831 1.00 0.00 C ATOM 829 CD GLN A 60 4.141 5.033 -4.623 1.00 0.00 C ATOM 830 OE1 GLN A 60 5.154 5.532 -4.138 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.722 5.322 -5.844 1.00 0.00 N ATOM 0 H GLN A 60 6.129 1.239 -2.023 1.00 0.00 H new ATOM 0 HA GLN A 60 3.770 1.324 -3.698 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.379 3.095 -1.931 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.872 3.869 -2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.800 3.372 -4.523 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.482 4.624 -3.340 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.876 4.886 -6.209 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.245 5.981 -6.420 1.00 0.00 H new ATOM 840 N SER A 61 5.112 2.088 -5.611 1.00 0.00 N ATOM 841 CA SER A 61 5.906 2.423 -6.777 1.00 0.00 C ATOM 842 C SER A 61 4.977 2.929 -7.872 1.00 0.00 C ATOM 843 O SER A 61 3.773 2.657 -7.843 1.00 0.00 O ATOM 844 CB SER A 61 6.697 1.208 -7.267 1.00 0.00 C ATOM 845 OG SER A 61 7.656 1.582 -8.245 1.00 0.00 O ATOM 0 H SER A 61 4.152 1.819 -5.827 1.00 0.00 H new ATOM 0 HA SER A 61 6.624 3.199 -6.513 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.199 0.733 -6.424 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.013 0.471 -7.687 1.00 0.00 H new ATOM 0 HG SER A 61 8.554 1.349 -7.928 1.00 0.00 H new ATOM 851 N SER A 62 5.526 3.670 -8.820 1.00 0.00 N ATOM 852 CA SER A 62 4.733 4.243 -9.892 1.00 0.00 C ATOM 853 C SER A 62 4.642 3.296 -11.084 1.00 0.00 C ATOM 854 O SER A 62 3.881 3.537 -12.021 1.00 0.00 O ATOM 855 CB SER A 62 5.335 5.584 -10.309 1.00 0.00 C ATOM 856 OG SER A 62 6.754 5.516 -10.319 1.00 0.00 O ATOM 0 H SER A 62 6.521 3.889 -8.868 1.00 0.00 H new ATOM 0 HA SER A 62 3.718 4.402 -9.528 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.972 5.859 -11.299 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.008 6.364 -9.622 1.00 0.00 H new ATOM 0 HG SER A 62 7.121 6.383 -10.590 1.00 0.00 H new ATOM 862 N GLU A 63 5.415 2.215 -11.045 1.00 0.00 N ATOM 863 CA GLU A 63 5.406 1.238 -12.124 1.00 0.00 C ATOM 864 C GLU A 63 4.165 0.351 -12.043 1.00 0.00 C ATOM 865 O GLU A 63 3.818 -0.163 -10.974 1.00 0.00 O ATOM 866 CB GLU A 63 6.677 0.379 -12.097 1.00 0.00 C ATOM 867 CG GLU A 63 6.926 -0.315 -10.769 1.00 0.00 C ATOM 868 CD GLU A 63 8.040 -1.338 -10.843 1.00 0.00 C ATOM 869 OE1 GLU A 63 9.216 -0.961 -10.677 1.00 0.00 O ATOM 870 OE2 GLU A 63 7.741 -2.530 -11.075 1.00 0.00 O ATOM 0 H GLU A 63 6.053 1.995 -10.280 1.00 0.00 H new ATOM 0 HA GLU A 63 5.380 1.783 -13.067 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.611 -0.374 -12.882 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.534 1.010 -12.332 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.174 0.432 -10.015 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.009 -0.806 -10.443 1.00 0.00 H new ATOM 877 N GLY A 64 3.498 0.181 -13.173 1.00 0.00 N ATOM 878 CA GLY A 64 2.302 -0.634 -13.217 1.00 0.00 C ATOM 879 C GLY A 64 1.137 0.103 -13.846 1.00 0.00 C ATOM 880 O GLY A 64 1.197 1.320 -14.018 1.00 0.00 O ATOM 0 H GLY A 64 3.765 0.595 -14.066 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.504 -1.544 -13.783 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.034 -0.940 -12.206 1.00 0.00 H new ATOM 884 N PRO A 65 0.052 -0.609 -14.185 1.00 0.00 N ATOM 885 CA PRO A 65 -1.124 -0.002 -14.820 1.00 0.00 C ATOM 886 C PRO A 65 -1.827 0.983 -13.892 1.00 0.00 C ATOM 887 O PRO A 65 -2.327 2.021 -14.325 1.00 0.00 O ATOM 888 CB PRO A 65 -2.030 -1.200 -15.125 1.00 0.00 C ATOM 889 CG PRO A 65 -1.588 -2.270 -14.184 1.00 0.00 C ATOM 890 CD PRO A 65 -0.116 -2.057 -13.970 1.00 0.00 C ATOM 0 HA PRO A 65 -0.860 0.576 -15.706 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.080 -0.949 -14.972 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.926 -1.519 -16.162 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.132 -2.208 -13.241 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.782 -3.259 -14.600 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.192 -2.353 -12.967 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.481 -2.640 -14.672 1.00 0.00 H new ATOM 898 N PHE A 66 -1.866 0.649 -12.612 1.00 0.00 N ATOM 899 CA PHE A 66 -2.448 1.526 -11.609 1.00 0.00 C ATOM 900 C PHE A 66 -1.412 1.870 -10.552 1.00 0.00 C ATOM 901 O PHE A 66 -1.726 2.500 -9.544 1.00 0.00 O ATOM 902 CB PHE A 66 -3.666 0.868 -10.955 1.00 0.00 C ATOM 903 CG PHE A 66 -4.857 0.748 -11.868 1.00 0.00 C ATOM 904 CD1 PHE A 66 -4.970 -0.310 -12.757 1.00 0.00 C ATOM 905 CD2 PHE A 66 -5.865 1.699 -11.836 1.00 0.00 C ATOM 906 CE1 PHE A 66 -6.068 -0.418 -13.593 1.00 0.00 C ATOM 907 CE2 PHE A 66 -6.963 1.597 -12.667 1.00 0.00 C ATOM 908 CZ PHE A 66 -7.063 0.538 -13.550 1.00 0.00 C ATOM 0 H PHE A 66 -1.499 -0.228 -12.242 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.774 2.443 -12.101 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.386 -0.126 -10.606 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.951 1.446 -10.076 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.192 -1.058 -12.798 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.791 2.531 -11.152 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.146 -1.249 -14.278 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -7.743 2.343 -12.627 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.918 0.459 -14.205 1.00 0.00 H new ATOM 918 N GLY A 67 -0.169 1.478 -10.812 1.00 0.00 N ATOM 919 CA GLY A 67 0.895 1.659 -9.844 1.00 0.00 C ATOM 920 C GLY A 67 1.118 0.404 -9.029 1.00 0.00 C ATOM 921 O GLY A 67 0.626 -0.661 -9.398 1.00 0.00 O ATOM 0 H GLY A 67 0.121 1.035 -11.684 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.817 1.928 -10.360 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.648 2.487 -9.180 1.00 0.00 H new ATOM 925 N HIS A 68 1.841 0.513 -7.917 1.00 0.00 N ATOM 926 CA HIS A 68 2.082 -0.643 -7.061 1.00 0.00 C ATOM 927 C HIS A 68 2.098 -0.239 -5.594 1.00 0.00 C ATOM 928 O HIS A 68 3.122 0.215 -5.103 1.00 0.00 O ATOM 929 CB HIS A 68 3.429 -1.303 -7.401 1.00 0.00 C ATOM 930 CG HIS A 68 3.557 -2.713 -6.891 1.00 0.00 C ATOM 931 ND1 HIS A 68 4.152 -3.723 -7.613 1.00 0.00 N ATOM 932 CD2 HIS A 68 3.149 -3.281 -5.728 1.00 0.00 C ATOM 933 CE1 HIS A 68 4.103 -4.846 -6.921 1.00 0.00 C ATOM 934 NE2 HIS A 68 3.496 -4.609 -5.771 1.00 0.00 N ATOM 0 H HIS A 68 2.266 1.381 -7.591 1.00 0.00 H new ATOM 0 HA HIS A 68 1.271 -1.350 -7.236 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.560 -1.304 -8.483 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.235 -0.700 -6.983 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.643 -2.780 -4.916 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.494 -5.800 -7.241 1.00 0.00 H new ATOM 0 HE2 HIS A 68 3.316 -5.296 -5.039 1.00 0.00 H new ATOM 943 N VAL A 69 0.976 -0.378 -4.894 1.00 0.00 N ATOM 944 CA VAL A 69 0.993 -0.240 -3.450 1.00 0.00 C ATOM 945 C VAL A 69 0.629 -1.551 -2.780 1.00 0.00 C ATOM 946 O VAL A 69 -0.243 -2.280 -3.243 1.00 0.00 O ATOM 947 CB VAL A 69 0.038 0.860 -2.960 1.00 0.00 C ATOM 948 CG1 VAL A 69 0.455 2.193 -3.533 1.00 0.00 C ATOM 949 CG2 VAL A 69 -1.398 0.538 -3.335 1.00 0.00 C ATOM 0 H VAL A 69 0.062 -0.582 -5.298 1.00 0.00 H new ATOM 0 HA VAL A 69 2.009 0.044 -3.177 1.00 0.00 H new ATOM 0 HB VAL A 69 0.093 0.911 -1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.226 2.969 -3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.469 2.427 -3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.423 2.147 -4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.054 1.331 -2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.482 0.459 -4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.690 -0.408 -2.878 1.00 0.00 H new ATOM 959 N ALA A 70 1.325 -1.851 -1.707 1.00 0.00 N ATOM 960 CA ALA A 70 1.082 -3.059 -0.946 1.00 0.00 C ATOM 961 C ALA A 70 1.336 -2.785 0.521 1.00 0.00 C ATOM 962 O ALA A 70 2.411 -2.325 0.891 1.00 0.00 O ATOM 963 CB ALA A 70 1.968 -4.190 -1.445 1.00 0.00 C ATOM 0 H ALA A 70 2.074 -1.267 -1.336 1.00 0.00 H new ATOM 0 HA ALA A 70 0.044 -3.366 -1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.772 -5.090 -0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.753 -4.384 -2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.015 -3.907 -1.335 1.00 0.00 H new ATOM 969 N TYR A 71 0.357 -3.064 1.354 1.00 0.00 N ATOM 970 CA TYR A 71 0.462 -2.739 2.763 1.00 0.00 C ATOM 971 C TYR A 71 1.485 -3.645 3.438 1.00 0.00 C ATOM 972 O TYR A 71 1.455 -4.865 3.283 1.00 0.00 O ATOM 973 CB TYR A 71 -0.911 -2.849 3.430 1.00 0.00 C ATOM 974 CG TYR A 71 -0.844 -2.995 4.932 1.00 0.00 C ATOM 975 CD1 TYR A 71 -0.742 -1.885 5.760 1.00 0.00 C ATOM 976 CD2 TYR A 71 -0.873 -4.254 5.516 1.00 0.00 C ATOM 977 CE1 TYR A 71 -0.669 -2.028 7.133 1.00 0.00 C ATOM 978 CE2 TYR A 71 -0.797 -4.404 6.886 1.00 0.00 C ATOM 979 CZ TYR A 71 -0.697 -3.288 7.691 1.00 0.00 C ATOM 980 OH TYR A 71 -0.622 -3.438 9.057 1.00 0.00 O ATOM 0 H TYR A 71 -0.518 -3.513 1.083 1.00 0.00 H new ATOM 0 HA TYR A 71 0.807 -1.711 2.871 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.497 -1.963 3.185 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.440 -3.706 3.013 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.719 -0.897 5.325 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.956 -5.129 4.889 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.590 -1.156 7.766 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.816 -5.390 7.326 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.656 -4.391 9.284 1.00 0.00 H new ATOM 990 N VAL A 72 2.390 -3.031 4.182 1.00 0.00 N ATOM 991 CA VAL A 72 3.483 -3.747 4.810 1.00 0.00 C ATOM 992 C VAL A 72 3.066 -4.255 6.180 1.00 0.00 C ATOM 993 O VAL A 72 2.817 -3.469 7.097 1.00 0.00 O ATOM 994 CB VAL A 72 4.719 -2.843 4.970 1.00 0.00 C ATOM 995 CG1 VAL A 72 5.914 -3.649 5.445 1.00 0.00 C ATOM 996 CG2 VAL A 72 5.031 -2.114 3.670 1.00 0.00 C ATOM 0 H VAL A 72 2.386 -2.028 4.366 1.00 0.00 H new ATOM 0 HA VAL A 72 3.737 -4.588 4.165 1.00 0.00 H new ATOM 0 HB VAL A 72 4.496 -2.092 5.728 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.777 -2.992 5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.685 -4.106 6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.139 -4.429 4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.908 -1.482 3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.229 -2.842 2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.179 -1.496 3.386 1.00 0.00 H new ATOM 1006 N GLU A 73 2.993 -5.569 6.319 1.00 0.00 N ATOM 1007 CA GLU A 73 2.598 -6.172 7.580 1.00 0.00 C ATOM 1008 C GLU A 73 3.785 -6.231 8.527 1.00 0.00 C ATOM 1009 O GLU A 73 3.609 -6.251 9.744 1.00 0.00 O ATOM 1010 CB GLU A 73 2.021 -7.573 7.367 1.00 0.00 C ATOM 1011 CG GLU A 73 0.756 -7.583 6.528 1.00 0.00 C ATOM 1012 CD GLU A 73 0.088 -8.942 6.483 1.00 0.00 C ATOM 1013 OE1 GLU A 73 0.598 -9.841 5.778 1.00 0.00 O ATOM 1014 OE2 GLU A 73 -0.951 -9.116 7.149 1.00 0.00 O ATOM 0 H GLU A 73 3.202 -6.236 5.576 1.00 0.00 H new ATOM 0 HA GLU A 73 1.819 -5.551 8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.773 -8.198 6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.808 -8.022 8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.054 -6.852 6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.997 -7.269 5.513 1.00 0.00 H new ATOM 1021 N SER A 74 4.989 -6.232 7.956 1.00 0.00 N ATOM 1022 CA SER A 74 6.214 -6.296 8.741 1.00 0.00 C ATOM 1023 C SER A 74 7.439 -6.306 7.832 1.00 0.00 C ATOM 1024 O SER A 74 7.404 -6.845 6.725 1.00 0.00 O ATOM 1025 CB SER A 74 6.221 -7.544 9.634 1.00 0.00 C ATOM 1026 OG SER A 74 5.944 -8.718 8.885 1.00 0.00 O ATOM 0 H SER A 74 5.139 -6.189 6.948 1.00 0.00 H new ATOM 0 HA SER A 74 6.252 -5.409 9.373 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.192 -7.641 10.119 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.479 -7.432 10.425 1.00 0.00 H new ATOM 0 HG SER A 74 5.957 -9.496 9.480 1.00 0.00 H new ATOM 1032 N VAL A 75 8.511 -5.690 8.291 1.00 0.00 N ATOM 1033 CA VAL A 75 9.793 -5.798 7.621 1.00 0.00 C ATOM 1034 C VAL A 75 10.697 -6.706 8.444 1.00 0.00 C ATOM 1035 O VAL A 75 10.827 -6.538 9.661 1.00 0.00 O ATOM 1036 CB VAL A 75 10.464 -4.418 7.383 1.00 0.00 C ATOM 1037 CG1 VAL A 75 10.656 -3.659 8.690 1.00 0.00 C ATOM 1038 CG2 VAL A 75 11.796 -4.589 6.658 1.00 0.00 C ATOM 0 H VAL A 75 8.520 -5.107 9.128 1.00 0.00 H new ATOM 0 HA VAL A 75 9.628 -6.225 6.632 1.00 0.00 H new ATOM 0 HB VAL A 75 9.798 -3.828 6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.128 -2.698 8.487 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.687 -3.495 9.161 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.291 -4.241 9.359 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.252 -3.612 6.500 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.462 -5.207 7.261 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.627 -5.071 5.695 1.00 0.00 H new ATOM 1048 N ASN A 76 11.284 -7.690 7.790 1.00 0.00 N ATOM 1049 CA ASN A 76 12.073 -8.691 8.481 1.00 0.00 C ATOM 1050 C ASN A 76 13.481 -8.174 8.725 1.00 0.00 C ATOM 1051 O ASN A 76 14.014 -7.409 7.921 1.00 0.00 O ATOM 1052 CB ASN A 76 12.127 -9.994 7.676 1.00 0.00 C ATOM 1053 CG ASN A 76 10.753 -10.603 7.461 1.00 0.00 C ATOM 1054 OD1 ASN A 76 10.293 -11.420 8.256 1.00 0.00 O ATOM 1055 ND2 ASN A 76 10.091 -10.210 6.384 1.00 0.00 N ATOM 0 H ASN A 76 11.229 -7.817 6.779 1.00 0.00 H new ATOM 0 HA ASN A 76 11.597 -8.897 9.440 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.590 -9.800 6.709 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.762 -10.712 8.195 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.164 -10.588 6.189 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.508 -9.530 5.749 1.00 0.00 H new ATOM 1062 N SER A 77 14.089 -8.607 9.820 1.00 0.00 N ATOM 1063 CA SER A 77 15.435 -8.179 10.178 1.00 0.00 C ATOM 1064 C SER A 77 16.471 -8.656 9.156 1.00 0.00 C ATOM 1065 O SER A 77 17.624 -8.219 9.170 1.00 0.00 O ATOM 1066 CB SER A 77 15.777 -8.696 11.574 1.00 0.00 C ATOM 1067 OG SER A 77 15.418 -10.063 11.707 1.00 0.00 O ATOM 0 H SER A 77 13.668 -9.260 10.481 1.00 0.00 H new ATOM 0 HA SER A 77 15.462 -7.089 10.177 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.844 -8.576 11.760 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.254 -8.103 12.325 1.00 0.00 H new ATOM 0 HG SER A 77 15.647 -10.375 12.607 1.00 0.00 H new ATOM 1073 N ASP A 78 16.047 -9.545 8.265 1.00 0.00 N ATOM 1074 CA ASP A 78 16.910 -10.056 7.208 1.00 0.00 C ATOM 1075 C ASP A 78 17.074 -9.034 6.091 1.00 0.00 C ATOM 1076 O ASP A 78 17.975 -9.146 5.263 1.00 0.00 O ATOM 1077 CB ASP A 78 16.331 -11.341 6.614 1.00 0.00 C ATOM 1078 CG ASP A 78 16.241 -12.472 7.611 1.00 0.00 C ATOM 1079 OD1 ASP A 78 17.280 -13.093 7.908 1.00 0.00 O ATOM 1080 OD2 ASP A 78 15.121 -12.766 8.078 1.00 0.00 O ATOM 0 H ASP A 78 15.102 -9.929 8.255 1.00 0.00 H new ATOM 0 HA ASP A 78 17.883 -10.261 7.655 1.00 0.00 H new ATOM 0 HB2 ASP A 78 15.336 -11.134 6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 78 16.949 -11.655 5.773 1.00 0.00 H new ATOM 1085 N GLY A 79 16.195 -8.044 6.063 1.00 0.00 N ATOM 1086 CA GLY A 79 16.205 -7.082 4.980 1.00 0.00 C ATOM 1087 C GLY A 79 15.131 -7.381 3.959 1.00 0.00 C ATOM 1088 O GLY A 79 15.053 -6.744 2.913 1.00 0.00 O ATOM 0 H GLY A 79 15.476 -7.889 6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.057 -6.080 5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.181 -7.090 4.495 1.00 0.00 H new ATOM 1092 N SER A 80 14.308 -8.371 4.264 1.00 0.00 N ATOM 1093 CA SER A 80 13.194 -8.729 3.406 1.00 0.00 C ATOM 1094 C SER A 80 11.896 -8.207 4.003 1.00 0.00 C ATOM 1095 O SER A 80 11.699 -8.249 5.213 1.00 0.00 O ATOM 1096 CB SER A 80 13.125 -10.241 3.232 1.00 0.00 C ATOM 1097 OG SER A 80 14.375 -10.760 2.803 1.00 0.00 O ATOM 0 H SER A 80 14.393 -8.943 5.104 1.00 0.00 H new ATOM 0 HA SER A 80 13.341 -8.275 2.426 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.838 -10.707 4.175 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.353 -10.492 2.504 1.00 0.00 H new ATOM 0 HG SER A 80 14.307 -11.732 2.700 1.00 0.00 H new ATOM 1103 N VAL A 81 11.020 -7.718 3.157 1.00 0.00 N ATOM 1104 CA VAL A 81 9.797 -7.081 3.610 1.00 0.00 C ATOM 1105 C VAL A 81 8.580 -7.948 3.316 1.00 0.00 C ATOM 1106 O VAL A 81 8.402 -8.431 2.198 1.00 0.00 O ATOM 1107 CB VAL A 81 9.625 -5.701 2.948 1.00 0.00 C ATOM 1108 CG1 VAL A 81 8.381 -5.003 3.466 1.00 0.00 C ATOM 1109 CG2 VAL A 81 10.860 -4.845 3.187 1.00 0.00 C ATOM 0 H VAL A 81 11.129 -7.748 2.143 1.00 0.00 H new ATOM 0 HA VAL A 81 9.876 -6.951 4.689 1.00 0.00 H new ATOM 0 HB VAL A 81 9.505 -5.847 1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.282 -4.031 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.504 -5.610 3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.463 -4.866 4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.726 -3.872 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.007 -4.710 4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.733 -5.339 2.760 1.00 0.00 H new ATOM 1119 N THR A 82 7.753 -8.137 4.330 1.00 0.00 N ATOM 1120 CA THR A 82 6.544 -8.926 4.205 1.00 0.00 C ATOM 1121 C THR A 82 5.340 -8.008 3.984 1.00 0.00 C ATOM 1122 O THR A 82 4.875 -7.330 4.904 1.00 0.00 O ATOM 1123 CB THR A 82 6.344 -9.803 5.465 1.00 0.00 C ATOM 1124 OG1 THR A 82 7.443 -10.719 5.592 1.00 0.00 O ATOM 1125 CG2 THR A 82 5.036 -10.581 5.400 1.00 0.00 C ATOM 0 H THR A 82 7.902 -7.748 5.261 1.00 0.00 H new ATOM 0 HA THR A 82 6.637 -9.586 3.342 1.00 0.00 H new ATOM 0 HB THR A 82 6.304 -9.145 6.333 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.993 -10.684 4.782 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.927 -11.186 6.300 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.201 -9.884 5.329 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.042 -11.231 4.525 1.00 0.00 H new ATOM 1133 N ILE A 83 4.864 -7.960 2.746 1.00 0.00 N ATOM 1134 CA ILE A 83 3.758 -7.082 2.388 1.00 0.00 C ATOM 1135 C ILE A 83 2.503 -7.879 2.056 1.00 0.00 C ATOM 1136 O ILE A 83 2.545 -9.103 1.926 1.00 0.00 O ATOM 1137 CB ILE A 83 4.105 -6.188 1.178 1.00 0.00 C ATOM 1138 CG1 ILE A 83 4.453 -7.052 -0.037 1.00 0.00 C ATOM 1139 CG2 ILE A 83 5.252 -5.248 1.518 1.00 0.00 C ATOM 1140 CD1 ILE A 83 4.709 -6.260 -1.300 1.00 0.00 C ATOM 0 H ILE A 83 5.227 -8.519 1.974 1.00 0.00 H new ATOM 0 HA ILE A 83 3.574 -6.452 3.258 1.00 0.00 H new ATOM 0 HB ILE A 83 3.233 -5.582 0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.338 -7.646 0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.637 -7.752 -0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.482 -4.626 0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.965 -4.612 2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.132 -5.831 1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.949 -6.943 -2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.818 -5.687 -1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.545 -5.579 -1.139 1.00 0.00 H new ATOM 1152 N SER A 84 1.392 -7.170 1.925 1.00 0.00 N ATOM 1153 CA SER A 84 0.133 -7.774 1.538 1.00 0.00 C ATOM 1154 C SER A 84 -0.627 -6.846 0.592 1.00 0.00 C ATOM 1155 O SER A 84 -0.911 -5.690 0.918 1.00 0.00 O ATOM 1156 CB SER A 84 -0.699 -8.090 2.783 1.00 0.00 C ATOM 1157 OG SER A 84 -0.796 -6.958 3.633 1.00 0.00 O ATOM 0 H SER A 84 1.341 -6.164 2.084 1.00 0.00 H new ATOM 0 HA SER A 84 0.330 -8.708 1.011 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.697 -8.412 2.485 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.246 -8.919 3.326 1.00 0.00 H new ATOM 0 HG SER A 84 -0.882 -6.147 3.089 1.00 0.00 H new ATOM 1163 N GLU A 85 -0.921 -7.355 -0.590 1.00 0.00 N ATOM 1164 CA GLU A 85 -1.625 -6.598 -1.618 1.00 0.00 C ATOM 1165 C GLU A 85 -2.823 -7.391 -2.144 1.00 0.00 C ATOM 1166 O GLU A 85 -2.665 -8.403 -2.815 1.00 0.00 O ATOM 1167 CB GLU A 85 -0.666 -6.243 -2.765 1.00 0.00 C ATOM 1168 CG GLU A 85 0.282 -7.375 -3.133 1.00 0.00 C ATOM 1169 CD GLU A 85 1.112 -7.088 -4.371 1.00 0.00 C ATOM 1170 OE1 GLU A 85 2.174 -6.434 -4.257 1.00 0.00 O ATOM 1171 OE2 GLU A 85 0.722 -7.546 -5.465 1.00 0.00 O ATOM 0 H GLU A 85 -0.680 -8.306 -0.868 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.996 -5.673 -1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.249 -5.967 -3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.082 -5.367 -2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.950 -7.567 -2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.296 -8.285 -3.295 1.00 0.00 H new ATOM 1178 N MET A 86 -4.023 -6.939 -1.823 1.00 0.00 N ATOM 1179 CA MET A 86 -5.229 -7.655 -2.220 1.00 0.00 C ATOM 1180 C MET A 86 -5.744 -7.158 -3.565 1.00 0.00 C ATOM 1181 O MET A 86 -5.967 -5.959 -3.742 1.00 0.00 O ATOM 1182 CB MET A 86 -6.327 -7.494 -1.170 1.00 0.00 C ATOM 1183 CG MET A 86 -7.592 -8.264 -1.517 1.00 0.00 C ATOM 1184 SD MET A 86 -8.927 -8.013 -0.332 1.00 0.00 S ATOM 1185 CE MET A 86 -8.258 -8.814 1.123 1.00 0.00 C ATOM 0 H MET A 86 -4.191 -6.085 -1.292 1.00 0.00 H new ATOM 0 HA MET A 86 -4.967 -8.709 -2.308 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.953 -7.835 -0.205 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.569 -6.437 -1.063 1.00 0.00 H new ATOM 0 HG2 MET A 86 -7.933 -7.962 -2.507 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.359 -9.327 -1.571 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.516 -8.234 2.009 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.677 -9.816 1.211 1.00 0.00 H new ATOM 0 HE3 MET A 86 -7.174 -8.880 1.036 1.00 0.00 H new ATOM 1195 N ASN A 87 -5.911 -8.094 -4.504 1.00 0.00 N ATOM 1196 CA ASN A 87 -6.484 -7.825 -5.830 1.00 0.00 C ATOM 1197 C ASN A 87 -5.500 -7.100 -6.735 1.00 0.00 C ATOM 1198 O ASN A 87 -5.331 -7.474 -7.898 1.00 0.00 O ATOM 1199 CB ASN A 87 -7.793 -7.032 -5.732 1.00 0.00 C ATOM 1200 CG ASN A 87 -8.351 -6.645 -7.094 1.00 0.00 C ATOM 1201 OD1 ASN A 87 -9.102 -7.396 -7.706 1.00 0.00 O ATOM 1202 ND2 ASN A 87 -7.995 -5.461 -7.574 1.00 0.00 N ATOM 0 H ASN A 87 -5.650 -9.070 -4.365 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.704 -8.796 -6.275 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.533 -7.626 -5.197 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.623 -6.130 -5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.348 -5.150 -8.479 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.368 -4.861 -7.038 1.00 0.00 H new ATOM 1209 N TYR A 88 -4.870 -6.064 -6.192 1.00 0.00 N ATOM 1210 CA TYR A 88 -3.933 -5.232 -6.932 1.00 0.00 C ATOM 1211 C TYR A 88 -4.679 -4.462 -8.018 1.00 0.00 C ATOM 1212 O TYR A 88 -5.162 -3.352 -7.789 1.00 0.00 O ATOM 1213 CB TYR A 88 -2.801 -6.082 -7.534 1.00 0.00 C ATOM 1214 CG TYR A 88 -1.634 -5.284 -8.072 1.00 0.00 C ATOM 1215 CD1 TYR A 88 -1.653 -4.751 -9.355 1.00 0.00 C ATOM 1216 CD2 TYR A 88 -0.505 -5.076 -7.295 1.00 0.00 C ATOM 1217 CE1 TYR A 88 -0.582 -4.031 -9.841 1.00 0.00 C ATOM 1218 CE2 TYR A 88 0.568 -4.356 -7.775 1.00 0.00 C ATOM 1219 CZ TYR A 88 0.526 -3.838 -9.048 1.00 0.00 C ATOM 1220 OH TYR A 88 1.595 -3.120 -9.529 1.00 0.00 O ATOM 0 H TYR A 88 -4.997 -5.778 -5.221 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.476 -4.518 -6.247 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.434 -6.768 -6.771 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.211 -6.691 -8.340 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.520 -4.903 -9.981 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.465 -5.485 -6.296 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.613 -3.620 -10.839 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.438 -4.199 -7.154 1.00 0.00 H new ATOM 0 HH TYR A 88 1.428 -2.162 -9.405 1.00 0.00 H new ATOM 1230 N SER A 89 -4.812 -5.087 -9.172 1.00 0.00 N ATOM 1231 CA SER A 89 -5.511 -4.507 -10.308 1.00 0.00 C ATOM 1232 C SER A 89 -5.909 -5.621 -11.266 1.00 0.00 C ATOM 1233 O SER A 89 -6.055 -5.406 -12.470 1.00 0.00 O ATOM 1234 CB SER A 89 -4.616 -3.495 -11.033 1.00 0.00 C ATOM 1235 OG SER A 89 -4.194 -2.454 -10.165 1.00 0.00 O ATOM 0 H SER A 89 -4.436 -6.018 -9.351 1.00 0.00 H new ATOM 0 HA SER A 89 -6.400 -3.986 -9.952 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.744 -4.006 -11.440 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.158 -3.068 -11.877 1.00 0.00 H new ATOM 0 HG SER A 89 -3.391 -2.738 -9.680 1.00 0.00 H new ATOM 1241 N GLY A 90 -6.100 -6.817 -10.719 1.00 0.00 N ATOM 1242 CA GLY A 90 -6.312 -7.978 -11.558 1.00 0.00 C ATOM 1243 C GLY A 90 -7.244 -8.997 -10.939 1.00 0.00 C ATOM 1244 O GLY A 90 -8.438 -9.013 -11.241 1.00 0.00 O ATOM 0 H GLY A 90 -6.112 -7.001 -9.716 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.720 -7.656 -12.516 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.351 -8.451 -11.763 1.00 0.00 H new ATOM 1248 N GLY A 91 -6.699 -9.846 -10.078 1.00 0.00 N ATOM 1249 CA GLY A 91 -7.480 -10.918 -9.495 1.00 0.00 C ATOM 1250 C GLY A 91 -8.261 -10.472 -8.278 1.00 0.00 C ATOM 1251 O GLY A 91 -7.672 -10.137 -7.250 1.00 0.00 O ATOM 0 H GLY A 91 -5.727 -9.811 -9.772 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.171 -11.308 -10.243 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.816 -11.737 -9.217 1.00 0.00 H new ATOM 1255 N PRO A 92 -9.598 -10.454 -8.367 1.00 0.00 N ATOM 1256 CA PRO A 92 -10.462 -10.035 -7.264 1.00 0.00 C ATOM 1257 C PRO A 92 -10.252 -10.878 -6.014 1.00 0.00 C ATOM 1258 O PRO A 92 -10.399 -12.101 -6.043 1.00 0.00 O ATOM 1259 CB PRO A 92 -11.876 -10.227 -7.814 1.00 0.00 C ATOM 1260 CG PRO A 92 -11.714 -10.213 -9.292 1.00 0.00 C ATOM 1261 CD PRO A 92 -10.375 -10.833 -9.555 1.00 0.00 C ATOM 0 HA PRO A 92 -10.254 -9.011 -6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.309 -11.167 -7.472 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.541 -9.430 -7.481 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.510 -10.777 -9.779 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.759 -9.196 -9.682 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.445 -11.915 -9.663 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.925 -10.450 -10.471 1.00 0.00 H new ATOM 1269 N PHE A 93 -9.879 -10.202 -4.932 1.00 0.00 N ATOM 1270 CA PHE A 93 -9.647 -10.825 -3.631 1.00 0.00 C ATOM 1271 C PHE A 93 -8.389 -11.674 -3.616 1.00 0.00 C ATOM 1272 O PHE A 93 -8.138 -12.379 -2.638 1.00 0.00 O ATOM 1273 CB PHE A 93 -10.829 -11.680 -3.175 1.00 0.00 C ATOM 1274 CG PHE A 93 -12.090 -10.902 -2.932 1.00 0.00 C ATOM 1275 CD1 PHE A 93 -12.260 -10.190 -1.756 1.00 0.00 C ATOM 1276 CD2 PHE A 93 -13.103 -10.880 -3.878 1.00 0.00 C ATOM 1277 CE1 PHE A 93 -13.418 -9.475 -1.527 1.00 0.00 C ATOM 1278 CE2 PHE A 93 -14.262 -10.166 -3.653 1.00 0.00 C ATOM 1279 CZ PHE A 93 -14.419 -9.461 -2.477 1.00 0.00 C ATOM 0 H PHE A 93 -9.727 -9.193 -4.933 1.00 0.00 H new ATOM 0 HA PHE A 93 -9.523 -9.996 -2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.025 -12.442 -3.929 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -10.554 -12.202 -2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -11.478 -10.194 -1.011 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -12.984 -11.428 -4.801 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -13.541 -8.927 -0.605 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -15.045 -10.159 -4.396 1.00 0.00 H new ATOM 0 HZ PHE A 93 -15.324 -8.899 -2.300 1.00 0.00 H new ATOM 1289 N SER A 94 -7.599 -11.625 -4.680 1.00 0.00 N ATOM 1290 CA SER A 94 -6.311 -12.284 -4.661 1.00 0.00 C ATOM 1291 C SER A 94 -5.426 -11.597 -3.641 1.00 0.00 C ATOM 1292 O SER A 94 -4.811 -10.571 -3.934 1.00 0.00 O ATOM 1293 CB SER A 94 -5.636 -12.255 -6.035 1.00 0.00 C ATOM 1294 OG SER A 94 -6.401 -12.957 -7.001 1.00 0.00 O ATOM 0 H SER A 94 -7.826 -11.144 -5.550 1.00 0.00 H new ATOM 0 HA SER A 94 -6.463 -13.330 -4.394 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.503 -11.222 -6.355 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.642 -12.697 -5.964 1.00 0.00 H new ATOM 0 HG SER A 94 -5.829 -13.198 -7.759 1.00 0.00 H new ATOM 1300 N VAL A 95 -5.433 -12.109 -2.420 1.00 0.00 N ATOM 1301 CA VAL A 95 -4.550 -11.597 -1.396 1.00 0.00 C ATOM 1302 C VAL A 95 -3.120 -11.949 -1.777 1.00 0.00 C ATOM 1303 O VAL A 95 -2.606 -13.007 -1.410 1.00 0.00 O ATOM 1304 CB VAL A 95 -4.877 -12.154 0.005 1.00 0.00 C ATOM 1305 CG1 VAL A 95 -4.012 -11.492 1.070 1.00 0.00 C ATOM 1306 CG2 VAL A 95 -6.352 -11.972 0.322 1.00 0.00 C ATOM 0 H VAL A 95 -6.038 -12.874 -2.120 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.684 -10.517 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.655 -13.221 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.262 -11.902 2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.961 -11.682 0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.194 -10.417 1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.563 -12.371 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.601 -10.911 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.951 -12.503 -0.418 1.00 0.00 H new ATOM 1316 N SER A 96 -2.514 -11.084 -2.568 1.00 0.00 N ATOM 1317 CA SER A 96 -1.213 -11.347 -3.140 1.00 0.00 C ATOM 1318 C SER A 96 -0.132 -11.184 -2.089 1.00 0.00 C ATOM 1319 O SER A 96 0.024 -10.117 -1.484 1.00 0.00 O ATOM 1320 CB SER A 96 -0.961 -10.419 -4.335 1.00 0.00 C ATOM 1321 OG SER A 96 0.264 -10.716 -4.987 1.00 0.00 O ATOM 0 H SER A 96 -2.911 -10.182 -2.830 1.00 0.00 H new ATOM 0 HA SER A 96 -1.186 -12.377 -3.497 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.782 -10.511 -5.046 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.949 -9.384 -3.994 1.00 0.00 H new ATOM 0 HG SER A 96 0.688 -9.883 -5.281 1.00 0.00 H new ATOM 1327 N SER A 97 0.582 -12.263 -1.858 1.00 0.00 N ATOM 1328 CA SER A 97 1.702 -12.254 -0.943 1.00 0.00 C ATOM 1329 C SER A 97 2.970 -11.946 -1.718 1.00 0.00 C ATOM 1330 O SER A 97 3.159 -12.438 -2.833 1.00 0.00 O ATOM 1331 CB SER A 97 1.825 -13.605 -0.238 1.00 0.00 C ATOM 1332 OG SER A 97 0.597 -13.987 0.360 1.00 0.00 O ATOM 0 H SER A 97 0.404 -13.167 -2.296 1.00 0.00 H new ATOM 0 HA SER A 97 1.544 -11.489 -0.183 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.135 -14.365 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.602 -13.551 0.524 1.00 0.00 H new ATOM 0 HG SER A 97 0.704 -14.855 0.802 1.00 0.00 H new ATOM 1338 N ARG A 98 3.826 -11.120 -1.152 1.00 0.00 N ATOM 1339 CA ARG A 98 5.046 -10.739 -1.831 1.00 0.00 C ATOM 1340 C ARG A 98 6.132 -10.415 -0.814 1.00 0.00 C ATOM 1341 O ARG A 98 5.852 -9.862 0.253 1.00 0.00 O ATOM 1342 CB ARG A 98 4.779 -9.536 -2.739 1.00 0.00 C ATOM 1343 CG ARG A 98 5.776 -9.395 -3.873 1.00 0.00 C ATOM 1344 CD ARG A 98 5.514 -8.151 -4.713 1.00 0.00 C ATOM 1345 NE ARG A 98 4.168 -8.142 -5.289 1.00 0.00 N ATOM 1346 CZ ARG A 98 3.877 -8.583 -6.514 1.00 0.00 C ATOM 1347 NH1 ARG A 98 4.826 -9.089 -7.293 1.00 0.00 N ATOM 1348 NH2 ARG A 98 2.635 -8.510 -6.966 1.00 0.00 N ATOM 0 H ARG A 98 3.700 -10.702 -0.230 1.00 0.00 H new ATOM 0 HA ARG A 98 5.390 -11.571 -2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 98 3.776 -9.623 -3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.795 -8.627 -2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.786 -9.350 -3.464 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.728 -10.279 -4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 98 5.648 -7.263 -4.095 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.250 -8.095 -5.515 1.00 0.00 H new ATOM 0 HE ARG A 98 3.406 -7.776 -4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.787 -9.143 -6.956 1.00 0.00 H new ATOM 0 HH12 ARG A 98 4.594 -9.424 -8.228 1.00 0.00 H new ATOM 0 HH21 ARG A 98 1.900 -8.117 -6.378 1.00 0.00 H new ATOM 0 HH22 ARG A 98 2.412 -8.847 -7.903 1.00 0.00 H new ATOM 1362 N THR A 99 7.363 -10.774 -1.141 1.00 0.00 N ATOM 1363 CA THR A 99 8.492 -10.524 -0.268 1.00 0.00 C ATOM 1364 C THR A 99 9.459 -9.548 -0.934 1.00 0.00 C ATOM 1365 O THR A 99 10.010 -9.833 -1.999 1.00 0.00 O ATOM 1366 CB THR A 99 9.220 -11.841 0.076 1.00 0.00 C ATOM 1367 OG1 THR A 99 8.270 -12.800 0.567 1.00 0.00 O ATOM 1368 CG2 THR A 99 10.300 -11.615 1.125 1.00 0.00 C ATOM 0 H THR A 99 7.604 -11.244 -2.014 1.00 0.00 H new ATOM 0 HA THR A 99 8.122 -10.085 0.659 1.00 0.00 H new ATOM 0 HB THR A 99 9.695 -12.216 -0.831 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.732 -13.637 0.784 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.795 -12.560 1.347 1.00 0.00 H new ATOM 0 HG22 THR A 99 11.032 -10.902 0.746 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.847 -11.221 2.035 1.00 0.00 H new ATOM 1376 N ILE A 100 9.641 -8.393 -0.315 1.00 0.00 N ATOM 1377 CA ILE A 100 10.452 -7.333 -0.897 1.00 0.00 C ATOM 1378 C ILE A 100 11.874 -7.360 -0.352 1.00 0.00 C ATOM 1379 O ILE A 100 12.091 -7.161 0.837 1.00 0.00 O ATOM 1380 CB ILE A 100 9.843 -5.942 -0.611 1.00 0.00 C ATOM 1381 CG1 ILE A 100 8.404 -5.864 -1.116 1.00 0.00 C ATOM 1382 CG2 ILE A 100 10.682 -4.845 -1.246 1.00 0.00 C ATOM 1383 CD1 ILE A 100 8.257 -6.179 -2.591 1.00 0.00 C ATOM 0 H ILE A 100 9.237 -8.164 0.593 1.00 0.00 H new ATOM 0 HA ILE A 100 10.472 -7.509 -1.972 1.00 0.00 H new ATOM 0 HB ILE A 100 9.839 -5.795 0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.789 -6.558 -0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.016 -4.863 -0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.234 -3.875 -1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 100 11.692 -4.877 -0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.722 -4.996 -2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.208 -6.103 -2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.844 -5.470 -3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.614 -7.191 -2.784 1.00 0.00 H new ATOM 1395 N SER A 101 12.833 -7.626 -1.217 1.00 0.00 N ATOM 1396 CA SER A 101 14.237 -7.534 -0.842 1.00 0.00 C ATOM 1397 C SER A 101 14.629 -6.071 -0.629 1.00 0.00 C ATOM 1398 O SER A 101 14.012 -5.177 -1.200 1.00 0.00 O ATOM 1399 CB SER A 101 15.107 -8.158 -1.935 1.00 0.00 C ATOM 1400 OG SER A 101 14.656 -9.458 -2.256 1.00 0.00 O ATOM 0 H SER A 101 12.670 -7.907 -2.184 1.00 0.00 H new ATOM 0 HA SER A 101 14.393 -8.077 0.090 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.085 -7.530 -2.826 1.00 0.00 H new ATOM 0 HB3 SER A 101 16.144 -8.200 -1.601 1.00 0.00 H new ATOM 0 HG SER A 101 15.225 -9.838 -2.958 1.00 0.00 H new ATOM 1406 N ALA A 102 15.641 -5.833 0.202 1.00 0.00 N ATOM 1407 CA ALA A 102 16.123 -4.478 0.485 1.00 0.00 C ATOM 1408 C ALA A 102 16.413 -3.684 -0.792 1.00 0.00 C ATOM 1409 O ALA A 102 16.096 -2.495 -0.876 1.00 0.00 O ATOM 1410 CB ALA A 102 17.367 -4.541 1.357 1.00 0.00 C ATOM 0 H ALA A 102 16.149 -6.566 0.696 1.00 0.00 H new ATOM 0 HA ALA A 102 15.328 -3.954 1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.719 -3.530 1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 102 17.128 -5.040 2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 102 18.147 -5.098 0.838 1.00 0.00 H new ATOM 1416 N SER A 103 17.014 -4.336 -1.784 1.00 0.00 N ATOM 1417 CA SER A 103 17.301 -3.688 -3.061 1.00 0.00 C ATOM 1418 C SER A 103 16.004 -3.232 -3.734 1.00 0.00 C ATOM 1419 O SER A 103 15.931 -2.135 -4.292 1.00 0.00 O ATOM 1420 CB SER A 103 18.077 -4.641 -3.977 1.00 0.00 C ATOM 1421 OG SER A 103 18.371 -4.032 -5.225 1.00 0.00 O ATOM 0 H SER A 103 17.311 -5.310 -1.729 1.00 0.00 H new ATOM 0 HA SER A 103 17.917 -2.808 -2.874 1.00 0.00 H new ATOM 0 HB2 SER A 103 19.004 -4.943 -3.490 1.00 0.00 H new ATOM 0 HB3 SER A 103 17.494 -5.547 -4.141 1.00 0.00 H new ATOM 0 HG SER A 103 18.867 -4.662 -5.788 1.00 0.00 H new ATOM 1427 N GLU A 104 14.978 -4.070 -3.655 1.00 0.00 N ATOM 1428 CA GLU A 104 13.671 -3.754 -4.216 1.00 0.00 C ATOM 1429 C GLU A 104 12.994 -2.680 -3.371 1.00 0.00 C ATOM 1430 O GLU A 104 12.306 -1.805 -3.889 1.00 0.00 O ATOM 1431 CB GLU A 104 12.811 -5.019 -4.250 1.00 0.00 C ATOM 1432 CG GLU A 104 11.960 -5.148 -5.497 1.00 0.00 C ATOM 1433 CD GLU A 104 12.796 -5.234 -6.755 1.00 0.00 C ATOM 1434 OE1 GLU A 104 13.383 -6.308 -7.015 1.00 0.00 O ATOM 1435 OE2 GLU A 104 12.867 -4.234 -7.491 1.00 0.00 O ATOM 0 H GLU A 104 15.028 -4.983 -3.203 1.00 0.00 H new ATOM 0 HA GLU A 104 13.792 -3.378 -5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.461 -5.891 -4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.161 -5.028 -3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.335 -6.037 -5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.289 -4.292 -5.567 1.00 0.00 H new ATOM 1442 N ALA A 105 13.216 -2.747 -2.061 1.00 0.00 N ATOM 1443 CA ALA A 105 12.662 -1.776 -1.124 1.00 0.00 C ATOM 1444 C ALA A 105 13.204 -0.380 -1.402 1.00 0.00 C ATOM 1445 O ALA A 105 12.545 0.618 -1.122 1.00 0.00 O ATOM 1446 CB ALA A 105 12.970 -2.192 0.307 1.00 0.00 C ATOM 0 H ALA A 105 13.782 -3.473 -1.621 1.00 0.00 H new ATOM 0 HA ALA A 105 11.580 -1.750 -1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.551 -1.459 0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.530 -3.169 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 105 14.050 -2.246 0.446 1.00 0.00 H new ATOM 1452 N GLY A 106 14.413 -0.321 -1.950 1.00 0.00 N ATOM 1453 CA GLY A 106 14.988 0.948 -2.357 1.00 0.00 C ATOM 1454 C GLY A 106 14.215 1.594 -3.495 1.00 0.00 C ATOM 1455 O GLY A 106 14.276 2.808 -3.689 1.00 0.00 O ATOM 0 H GLY A 106 15.007 -1.133 -2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.008 1.626 -1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.022 0.793 -2.665 1.00 0.00 H new ATOM 1459 N ASN A 107 13.491 0.775 -4.250 1.00 0.00 N ATOM 1460 CA ASN A 107 12.664 1.265 -5.347 1.00 0.00 C ATOM 1461 C ASN A 107 11.330 1.766 -4.819 1.00 0.00 C ATOM 1462 O ASN A 107 10.800 2.778 -5.278 1.00 0.00 O ATOM 1463 CB ASN A 107 12.396 0.149 -6.364 1.00 0.00 C ATOM 1464 CG ASN A 107 11.472 0.595 -7.488 1.00 0.00 C ATOM 1465 OD1 ASN A 107 11.573 1.721 -7.980 1.00 0.00 O ATOM 1466 ND2 ASN A 107 10.539 -0.262 -7.872 1.00 0.00 N ATOM 0 H ASN A 107 13.460 -0.236 -4.121 1.00 0.00 H new ATOM 0 HA ASN A 107 13.203 2.079 -5.831 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.342 -0.187 -6.788 1.00 0.00 H new ATOM 0 HB3 ASN A 107 11.954 -0.706 -5.852 1.00 0.00 H new ATOM 0 HD21 ASN A 107 9.873 0.001 -8.598 1.00 0.00 H new ATOM 0 HD22 ASN A 107 10.486 -1.185 -7.442 1.00 0.00 H new ATOM 1473 N TYR A 108 10.797 1.045 -3.850 1.00 0.00 N ATOM 1474 CA TYR A 108 9.465 1.310 -3.347 1.00 0.00 C ATOM 1475 C TYR A 108 9.454 2.418 -2.303 1.00 0.00 C ATOM 1476 O TYR A 108 10.181 2.369 -1.315 1.00 0.00 O ATOM 1477 CB TYR A 108 8.867 0.050 -2.743 1.00 0.00 C ATOM 1478 CG TYR A 108 8.583 -1.054 -3.739 1.00 0.00 C ATOM 1479 CD1 TYR A 108 7.587 -0.912 -4.697 1.00 0.00 C ATOM 1480 CD2 TYR A 108 9.287 -2.248 -3.698 1.00 0.00 C ATOM 1481 CE1 TYR A 108 7.304 -1.932 -5.587 1.00 0.00 C ATOM 1482 CE2 TYR A 108 9.014 -3.268 -4.585 1.00 0.00 C ATOM 1483 CZ TYR A 108 8.021 -3.107 -5.526 1.00 0.00 C ATOM 1484 OH TYR A 108 7.737 -4.127 -6.403 1.00 0.00 O ATOM 0 H TYR A 108 11.272 0.266 -3.394 1.00 0.00 H new ATOM 0 HA TYR A 108 8.866 1.638 -4.196 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.549 -0.331 -1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 108 7.938 0.312 -2.236 1.00 0.00 H new ATOM 0 HD1 TYR A 108 7.025 0.009 -4.748 1.00 0.00 H new ATOM 0 HD2 TYR A 108 10.063 -2.381 -2.958 1.00 0.00 H new ATOM 0 HE1 TYR A 108 6.526 -1.808 -6.325 1.00 0.00 H new ATOM 0 HE2 TYR A 108 9.576 -4.189 -4.542 1.00 0.00 H new ATOM 0 HH TYR A 108 8.333 -4.885 -6.228 1.00 0.00 H new ATOM 1494 N ASN A 109 8.596 3.395 -2.532 1.00 0.00 N ATOM 1495 CA ASN A 109 8.382 4.488 -1.595 1.00 0.00 C ATOM 1496 C ASN A 109 7.415 4.040 -0.514 1.00 0.00 C ATOM 1497 O ASN A 109 6.782 2.990 -0.639 1.00 0.00 O ATOM 1498 CB ASN A 109 7.800 5.707 -2.317 1.00 0.00 C ATOM 1499 CG ASN A 109 8.746 6.304 -3.340 1.00 0.00 C ATOM 1500 OD1 ASN A 109 9.967 6.258 -3.185 1.00 0.00 O ATOM 1501 ND2 ASN A 109 8.187 6.864 -4.403 1.00 0.00 N ATOM 0 H ASN A 109 8.025 3.455 -3.375 1.00 0.00 H new ATOM 0 HA ASN A 109 9.339 4.763 -1.152 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.873 5.419 -2.813 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.544 6.469 -1.581 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.772 7.277 -5.129 1.00 0.00 H new ATOM 0 HD22 ASN A 109 7.171 6.882 -4.495 1.00 0.00 H new ATOM 1508 N TYR A 110 7.306 4.819 0.547 1.00 0.00 N ATOM 1509 CA TYR A 110 6.305 4.561 1.559 1.00 0.00 C ATOM 1510 C TYR A 110 5.848 5.872 2.175 1.00 0.00 C ATOM 1511 O TYR A 110 6.653 6.774 2.417 1.00 0.00 O ATOM 1512 CB TYR A 110 6.825 3.569 2.614 1.00 0.00 C ATOM 1513 CG TYR A 110 7.577 4.145 3.800 1.00 0.00 C ATOM 1514 CD1 TYR A 110 8.626 5.046 3.657 1.00 0.00 C ATOM 1515 CD2 TYR A 110 7.232 3.748 5.081 1.00 0.00 C ATOM 1516 CE1 TYR A 110 9.302 5.535 4.764 1.00 0.00 C ATOM 1517 CE2 TYR A 110 7.902 4.220 6.187 1.00 0.00 C ATOM 1518 CZ TYR A 110 8.933 5.113 6.029 1.00 0.00 C ATOM 1519 OH TYR A 110 9.608 5.565 7.138 1.00 0.00 O ATOM 0 H TYR A 110 7.896 5.631 0.727 1.00 0.00 H new ATOM 0 HA TYR A 110 5.439 4.090 1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 110 5.974 3.006 2.996 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.480 2.856 2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.919 5.370 2.669 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.418 3.051 5.216 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.111 6.240 4.640 1.00 0.00 H new ATOM 0 HE2 TYR A 110 7.618 3.889 7.175 1.00 0.00 H new ATOM 0 HH TYR A 110 9.216 5.168 7.944 1.00 0.00 H new ATOM 1529 N ILE A 111 4.553 5.999 2.398 1.00 0.00 N ATOM 1530 CA ILE A 111 4.006 7.247 2.870 1.00 0.00 C ATOM 1531 C ILE A 111 3.576 7.124 4.323 1.00 0.00 C ATOM 1532 O ILE A 111 2.808 6.238 4.693 1.00 0.00 O ATOM 1533 CB ILE A 111 2.831 7.726 1.983 1.00 0.00 C ATOM 1534 CG1 ILE A 111 1.628 6.793 2.097 1.00 0.00 C ATOM 1535 CG2 ILE A 111 3.281 7.809 0.529 1.00 0.00 C ATOM 1536 CD1 ILE A 111 0.407 7.283 1.348 1.00 0.00 C ATOM 0 H ILE A 111 3.868 5.256 2.260 1.00 0.00 H new ATOM 0 HA ILE A 111 4.790 8.001 2.804 1.00 0.00 H new ATOM 0 HB ILE A 111 2.528 8.713 2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 111 1.905 5.809 1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 111 1.373 6.670 3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.450 8.147 -0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 111 4.107 8.515 0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.608 6.825 0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.408 6.570 1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.104 8.253 1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.644 7.379 0.289 1.00 0.00 H new ATOM 1548 N HIS A 112 4.124 7.981 5.158 1.00 0.00 N ATOM 1549 CA HIS A 112 3.756 8.006 6.557 1.00 0.00 C ATOM 1550 C HIS A 112 3.486 9.435 6.974 1.00 0.00 C ATOM 1551 O HIS A 112 3.912 10.362 6.297 1.00 0.00 O ATOM 1552 CB HIS A 112 4.878 7.412 7.416 1.00 0.00 C ATOM 1553 CG HIS A 112 6.153 8.201 7.376 1.00 0.00 C ATOM 1554 ND1 HIS A 112 6.387 9.280 8.199 1.00 0.00 N ATOM 1555 CD2 HIS A 112 7.264 8.070 6.605 1.00 0.00 C ATOM 1556 CE1 HIS A 112 7.577 9.776 7.943 1.00 0.00 C ATOM 1557 NE2 HIS A 112 8.136 9.063 6.980 1.00 0.00 N ATOM 0 H HIS A 112 4.827 8.670 4.892 1.00 0.00 H new ATOM 0 HA HIS A 112 2.858 7.406 6.703 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.536 7.345 8.449 1.00 0.00 H new ATOM 0 HB3 HIS A 112 5.080 6.395 7.080 1.00 0.00 H new ATOM 0 HD1 HIS A 112 5.737 9.639 8.899 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.430 7.325 5.841 1.00 0.00 H new ATOM 0 HE1 HIS A 112 8.024 10.626 8.438 1.00 0.00 H new ATOM 1566 N ILE A 113 2.767 9.615 8.061 1.00 0.00 N ATOM 1567 CA ILE A 113 2.606 10.922 8.636 1.00 0.00 C ATOM 1568 C ILE A 113 3.974 11.468 9.049 1.00 0.00 C ATOM 1569 O ILE A 113 4.356 12.554 8.571 1.00 0.00 O ATOM 1570 CB ILE A 113 1.637 10.912 9.843 1.00 0.00 C ATOM 1571 CG1 ILE A 113 2.035 9.876 10.916 1.00 0.00 C ATOM 1572 CG2 ILE A 113 0.209 10.672 9.371 1.00 0.00 C ATOM 1573 CD1 ILE A 113 1.696 8.436 10.575 1.00 0.00 C ATOM 1574 OXT ILE A 113 4.696 10.759 9.786 1.00 0.00 O ATOM 0 H ILE A 113 2.286 8.867 8.561 1.00 0.00 H new ATOM 0 HA ILE A 113 2.164 11.572 7.881 1.00 0.00 H new ATOM 0 HB ILE A 113 1.701 11.893 10.314 1.00 0.00 H new ATOM 0 HG12 ILE A 113 3.109 9.949 11.090 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.542 10.137 11.852 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.462 10.667 10.230 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.086 11.466 8.685 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.151 9.711 8.860 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.014 7.785 11.389 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.620 8.340 10.433 1.00 0.00 H new ATOM 0 HD13 ILE A 113 2.210 8.148 9.658 1.00 0.00 H new TER 1586 ILE A 113