USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot 117:sc= 1.03 USER MOD Set 1.2: A 72 TYR OH : rot 100:sc= -1.14! USER MOD Set 2.1: A 35 SER OG : rot 44:sc= 1.18 USER MOD Set 2.2: A 55 ASN :FLIP amide:sc= 0.992 F(o=-4.3!,f=2.2) USER MOD Set 3.1: A 21 LYS NZ :NH3+ -178:sc= 1.05 (180deg=0) USER MOD Set 3.2: A 59 ASN : amide:sc= -4.34! C(o=-3.3!,f=-21!) USER MOD Set 4.1: A 19 THR OG1 : rot -73:sc= 0.177 USER MOD Set 4.2: A 62 THR OG1 : rot 180:sc= 0.938 USER MOD Set 5.1: A 14 THR OG1 : rot 100:sc= 1.09 USER MOD Set 5.2: A 17 THR OG1 : rot 27:sc= 0.231 USER MOD Single : A 0 SER N :NH3+ -134:sc= -1.88! (180deg=-4.77!) USER MOD Single : A 0 SER OG : rot 180:sc= 0.129 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.177 F(o=-1.3,f=-0.18) USER MOD Single : A 16 HIS : no HD1:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -149:sc= -0.127 (180deg=-0.721) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 18:sc= 0.432 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -41:sc= 0.817 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -3.55! C(o=-3.5!,f=-3.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.91 K(o=-1.9,f=-8.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00614 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -5.5! C(o=-5.5!,f=-9.3!) USER MOD Single : A 86 SER OG : rot -125:sc= -0.903 USER MOD Single : A 89 SER OG : rot 71:sc= 1.05 USER MOD Single : A 92 SER OG : rot -42:sc= -1.13 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.00625 USER MOD Single : A 97 CYS SG : rot -102:sc= 0.619 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -24.657 -2.565 -3.781 1.00 2.05 N ATOM 2 CA SER A 0 -24.443 -4.023 -3.571 1.00 1.55 C ATOM 3 C SER A 0 -23.019 -4.442 -3.933 1.00 1.39 C ATOM 4 O SER A 0 -22.362 -5.149 -3.170 1.00 1.50 O ATOM 5 CB SER A 0 -25.454 -4.804 -4.416 1.00 2.08 C ATOM 6 OG SER A 0 -26.446 -3.945 -4.950 1.00 2.74 O ATOM 0 H1 SER A 0 -25.145 -2.163 -2.955 1.00 2.05 H new ATOM 0 H2 SER A 0 -23.738 -2.093 -3.903 1.00 2.05 H new ATOM 0 H3 SER A 0 -25.237 -2.418 -4.632 1.00 2.05 H new ATOM 0 HA SER A 0 -24.589 -4.245 -2.514 1.00 1.55 H new ATOM 0 HB2 SER A 0 -24.936 -5.315 -5.228 1.00 2.08 H new ATOM 0 HB3 SER A 0 -25.926 -5.573 -3.805 1.00 2.08 H new ATOM 0 HG SER A 0 -27.078 -4.468 -5.486 1.00 2.74 H new ATOM 12 N PRO A 1 -22.518 -4.014 -5.105 1.00 1.23 N ATOM 13 CA PRO A 1 -21.167 -4.353 -5.556 1.00 1.19 C ATOM 14 C PRO A 1 -20.096 -3.671 -4.716 1.00 1.24 C ATOM 15 O PRO A 1 -20.366 -3.189 -3.617 1.00 2.06 O ATOM 16 CB PRO A 1 -21.112 -3.834 -7.001 1.00 1.18 C ATOM 17 CG PRO A 1 -22.522 -3.513 -7.367 1.00 1.26 C ATOM 18 CD PRO A 1 -23.217 -3.171 -6.083 1.00 1.24 C ATOM 0 HA PRO A 1 -20.974 -5.422 -5.471 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -20.477 -2.951 -7.076 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -20.694 -4.585 -7.671 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -22.563 -2.678 -8.067 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -23.001 -4.362 -7.855 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -23.126 -2.112 -5.843 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -24.282 -3.398 -6.126 1.00 1.24 H new ATOM 26 N ILE A 2 -18.878 -3.629 -5.244 1.00 0.68 N ATOM 27 CA ILE A 2 -17.767 -3.001 -4.547 1.00 0.61 C ATOM 28 C ILE A 2 -16.589 -2.782 -5.489 1.00 0.57 C ATOM 29 O ILE A 2 -16.319 -3.604 -6.365 1.00 0.63 O ATOM 30 CB ILE A 2 -17.297 -3.845 -3.346 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.215 -3.090 -2.561 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.779 -5.192 -3.828 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.467 -3.936 -1.544 1.00 0.56 C ATOM 0 H ILE A 2 -18.637 -4.023 -6.153 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.128 -2.040 -4.181 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.141 -4.021 -2.679 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.496 -2.673 -3.267 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.679 -2.250 -2.045 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.449 -5.782 -2.973 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.576 -5.723 -4.349 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.941 -5.038 -4.507 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.723 -3.322 -1.037 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.171 -4.332 -0.812 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.970 -4.762 -2.053 1.00 0.56 H new ATOM 45 N ASP A 3 -15.891 -1.669 -5.301 1.00 0.55 N ATOM 46 CA ASP A 3 -14.739 -1.341 -6.131 1.00 0.54 C ATOM 47 C ASP A 3 -13.580 -0.844 -5.270 1.00 0.47 C ATOM 48 O ASP A 3 -13.755 0.058 -4.450 1.00 0.49 O ATOM 49 CB ASP A 3 -15.115 -0.279 -7.168 1.00 0.61 C ATOM 50 CG ASP A 3 -16.015 -0.827 -8.257 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.831 -1.725 -7.957 1.00 2.00 O ATOM 52 OD2 ASP A 3 -15.904 -0.361 -9.410 1.00 1.64 O ATOM 0 H ASP A 3 -16.103 -0.978 -4.581 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.423 -2.246 -6.651 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.617 0.550 -6.669 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.207 0.122 -7.619 1.00 0.61 H new ATOM 57 N PRO A 4 -12.379 -1.424 -5.437 1.00 0.44 N ATOM 58 CA PRO A 4 -11.201 -1.026 -4.663 1.00 0.41 C ATOM 59 C PRO A 4 -10.627 0.308 -5.133 1.00 0.38 C ATOM 60 O PRO A 4 -10.848 0.722 -6.271 1.00 0.43 O ATOM 61 CB PRO A 4 -10.218 -2.167 -4.919 1.00 0.45 C ATOM 62 CG PRO A 4 -10.578 -2.663 -6.277 1.00 0.50 C ATOM 63 CD PRO A 4 -12.071 -2.509 -6.389 1.00 0.50 C ATOM 0 HA PRO A 4 -11.427 -0.874 -3.608 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.186 -1.819 -4.883 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.316 -2.952 -4.169 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.067 -2.090 -7.051 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.282 -3.704 -6.404 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.373 -2.250 -7.404 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.590 -3.431 -6.128 1.00 0.50 H new ATOM 71 N PRO A 5 -9.883 1.004 -4.256 1.00 0.37 N ATOM 72 CA PRO A 5 -9.283 2.302 -4.578 1.00 0.39 C ATOM 73 C PRO A 5 -8.379 2.259 -5.807 1.00 0.38 C ATOM 74 O PRO A 5 -8.420 1.315 -6.597 1.00 0.47 O ATOM 75 CB PRO A 5 -8.454 2.652 -3.338 1.00 0.46 C ATOM 76 CG PRO A 5 -8.367 1.398 -2.536 1.00 0.71 C ATOM 77 CD PRO A 5 -9.579 0.585 -2.880 1.00 0.43 C ATOM 0 HA PRO A 5 -10.055 3.033 -4.817 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.462 3.005 -3.619 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.926 3.450 -2.765 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.454 0.851 -2.770 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -8.340 1.621 -1.469 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -9.377 -0.484 -2.820 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.408 0.792 -2.203 1.00 0.43 H new ATOM 85 N GLY A 6 -7.565 3.301 -5.954 1.00 0.37 N ATOM 86 CA GLY A 6 -6.652 3.390 -7.083 1.00 0.39 C ATOM 87 C GLY A 6 -5.292 2.783 -6.789 1.00 0.42 C ATOM 88 O GLY A 6 -5.078 2.211 -5.720 1.00 0.66 O ATOM 0 H GLY A 6 -7.521 4.089 -5.308 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.093 2.884 -7.942 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.525 4.436 -7.360 1.00 0.39 H new ATOM 92 N LYS A 7 -4.368 2.910 -7.742 1.00 0.41 N ATOM 93 CA LYS A 7 -3.018 2.372 -7.583 1.00 0.44 C ATOM 94 C LYS A 7 -2.180 3.290 -6.689 1.00 0.37 C ATOM 95 O LYS A 7 -2.206 4.509 -6.857 1.00 0.42 O ATOM 96 CB LYS A 7 -2.351 2.211 -8.955 1.00 0.54 C ATOM 97 CG LYS A 7 -0.854 1.939 -8.893 1.00 0.64 C ATOM 98 CD LYS A 7 -0.069 3.002 -9.646 1.00 1.01 C ATOM 99 CE LYS A 7 1.423 2.707 -9.646 1.00 0.95 C ATOM 100 NZ LYS A 7 2.102 3.282 -10.841 1.00 1.52 N ATOM 0 H LYS A 7 -4.531 3.381 -8.632 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.085 1.393 -7.107 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -2.836 1.393 -9.488 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.521 3.117 -9.538 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.530 1.913 -7.853 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -0.642 0.958 -9.318 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.428 3.060 -10.673 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.247 3.976 -9.191 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.874 3.114 -8.741 1.00 0.95 H new ATOM 0 HE3 LYS A 7 1.580 1.629 -9.623 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 3.117 3.059 -10.804 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.689 2.875 -11.704 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.974 4.314 -10.850 1.00 1.52 H new ATOM 114 N PRO A 8 -1.428 2.730 -5.717 1.00 0.34 N ATOM 115 CA PRO A 8 -0.599 3.523 -4.801 1.00 0.32 C ATOM 116 C PRO A 8 0.716 3.970 -5.430 1.00 0.33 C ATOM 117 O PRO A 8 1.296 3.268 -6.259 1.00 0.44 O ATOM 118 CB PRO A 8 -0.345 2.562 -3.623 1.00 0.39 C ATOM 119 CG PRO A 8 -1.189 1.360 -3.906 1.00 0.44 C ATOM 120 CD PRO A 8 -1.311 1.300 -5.397 1.00 0.41 C ATOM 0 HA PRO A 8 -1.092 4.451 -4.511 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.709 2.295 -3.554 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.621 3.022 -2.674 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.727 0.454 -3.513 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.168 1.448 -3.435 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.441 0.841 -5.865 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.183 0.731 -5.719 1.00 0.41 H new ATOM 128 N VAL A 9 1.176 5.150 -5.024 1.00 0.34 N ATOM 129 CA VAL A 9 2.420 5.714 -5.535 1.00 0.38 C ATOM 130 C VAL A 9 3.222 6.362 -4.406 1.00 0.34 C ATOM 131 O VAL A 9 2.777 7.342 -3.809 1.00 0.35 O ATOM 132 CB VAL A 9 2.140 6.766 -6.627 1.00 0.43 C ATOM 133 CG1 VAL A 9 1.443 7.985 -6.038 1.00 1.09 C ATOM 134 CG2 VAL A 9 3.427 7.166 -7.332 1.00 0.53 C ATOM 0 H VAL A 9 0.702 5.737 -4.338 1.00 0.34 H new ATOM 0 HA VAL A 9 2.999 4.898 -5.967 1.00 0.38 H new ATOM 0 HB VAL A 9 1.474 6.320 -7.365 1.00 0.43 H new ATOM 0 HG11 VAL A 9 1.256 8.714 -6.827 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.496 7.682 -5.591 1.00 1.09 H new ATOM 0 HG13 VAL A 9 2.078 8.433 -5.274 1.00 1.09 H new ATOM 0 HG21 VAL A 9 3.206 7.909 -8.098 1.00 0.53 H new ATOM 0 HG22 VAL A 9 4.123 7.588 -6.607 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.875 6.288 -7.796 1.00 0.53 H new ATOM 144 N PRO A 10 4.412 5.823 -4.084 1.00 0.34 N ATOM 145 CA PRO A 10 5.247 6.362 -3.011 1.00 0.32 C ATOM 146 C PRO A 10 5.724 7.786 -3.280 1.00 0.37 C ATOM 147 O PRO A 10 6.525 8.025 -4.183 1.00 0.64 O ATOM 148 CB PRO A 10 6.439 5.412 -2.940 1.00 0.38 C ATOM 149 CG PRO A 10 6.030 4.195 -3.701 1.00 0.39 C ATOM 150 CD PRO A 10 5.029 4.652 -4.722 1.00 0.42 C ATOM 0 HA PRO A 10 4.683 6.424 -2.080 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.329 5.866 -3.376 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.682 5.165 -1.907 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.891 3.730 -4.182 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.594 3.449 -3.036 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.507 4.913 -5.666 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.294 3.878 -4.940 1.00 0.42 H new ATOM 158 N LEU A 11 5.233 8.728 -2.479 1.00 0.34 N ATOM 159 CA LEU A 11 5.617 10.129 -2.616 1.00 0.43 C ATOM 160 C LEU A 11 7.005 10.345 -2.026 1.00 0.43 C ATOM 161 O LEU A 11 7.831 11.070 -2.582 1.00 0.57 O ATOM 162 CB LEU A 11 4.602 11.028 -1.908 1.00 0.56 C ATOM 163 CG LEU A 11 3.152 10.538 -1.970 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.684 10.090 -0.594 1.00 1.12 C ATOM 165 CD2 LEU A 11 2.239 11.624 -2.519 1.00 1.64 C ATOM 0 H LEU A 11 4.568 8.546 -1.728 1.00 0.34 H new ATOM 0 HA LEU A 11 5.635 10.388 -3.675 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.893 11.126 -0.862 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.653 12.024 -2.347 1.00 0.56 H new ATOM 0 HG LEU A 11 3.107 9.684 -2.645 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.652 9.745 -0.655 1.00 1.12 H new ATOM 0 HD12 LEU A 11 3.318 9.277 -0.241 1.00 1.12 H new ATOM 0 HD13 LEU A 11 2.746 10.927 0.102 1.00 1.12 H new ATOM 0 HD21 LEU A 11 1.214 11.254 -2.554 1.00 1.64 H new ATOM 0 HD22 LEU A 11 2.287 12.500 -1.873 1.00 1.64 H new ATOM 0 HD23 LEU A 11 2.561 11.896 -3.524 1.00 1.64 H new ATOM 177 N ASN A 12 7.247 9.693 -0.895 1.00 0.34 N ATOM 178 CA ASN A 12 8.527 9.776 -0.201 1.00 0.36 C ATOM 179 C ASN A 12 8.990 8.377 0.162 1.00 0.37 C ATOM 180 O ASN A 12 8.359 7.710 0.968 1.00 0.58 O ATOM 181 CB ASN A 12 8.395 10.612 1.072 1.00 0.42 C ATOM 182 CG ASN A 12 9.737 10.909 1.715 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.369 9.884 2.282 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 10.202 12.049 1.705 1.00 0.71 N flip ATOM 0 H ASN A 12 6.563 9.093 -0.434 1.00 0.34 H new ATOM 0 HA ASN A 12 9.254 10.252 -0.859 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.893 11.551 0.836 1.00 0.42 H new ATOM 0 HB3 ASN A 12 7.763 10.084 1.786 1.00 0.42 H new ATOM 0 HD21 ASN A 12 9.685 12.807 1.259 1.00 0.71 H new ATOM 0 HD22 ASN A 12 11.104 12.236 2.142 1.00 0.71 H new ATOM 191 N ILE A 13 10.081 7.927 -0.430 1.00 0.38 N ATOM 192 CA ILE A 13 10.576 6.589 -0.141 1.00 0.43 C ATOM 193 C ILE A 13 11.911 6.601 0.591 1.00 0.53 C ATOM 194 O ILE A 13 12.880 7.211 0.140 1.00 0.75 O ATOM 195 CB ILE A 13 10.704 5.762 -1.426 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.725 6.426 -2.372 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.319 5.614 -2.053 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.445 6.254 -3.848 1.00 0.96 C ATOM 0 H ILE A 13 10.635 8.456 -1.103 1.00 0.38 H new ATOM 0 HA ILE A 13 9.840 6.129 0.518 1.00 0.43 H new ATOM 0 HB ILE A 13 11.080 4.761 -1.213 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.763 7.492 -2.148 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.713 6.019 -2.157 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.395 5.027 -2.969 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.655 5.109 -1.352 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.918 6.600 -2.286 1.00 0.53 H new ATOM 0 HD11 ILE A 13 12.220 6.757 -4.426 1.00 0.96 H new ATOM 0 HD12 ILE A 13 11.439 5.193 -4.096 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.474 6.688 -4.087 1.00 0.96 H new ATOM 210 N THR A 14 11.945 5.906 1.724 1.00 0.59 N ATOM 211 CA THR A 14 13.151 5.805 2.533 1.00 0.71 C ATOM 212 C THR A 14 13.612 4.353 2.588 1.00 0.79 C ATOM 213 O THR A 14 12.794 3.432 2.594 1.00 1.46 O ATOM 214 CB THR A 14 12.905 6.344 3.943 1.00 0.75 C ATOM 215 OG1 THR A 14 11.816 7.251 3.951 1.00 0.69 O ATOM 216 CG2 THR A 14 14.102 7.066 4.521 1.00 0.94 C ATOM 0 H THR A 14 11.144 5.402 2.103 1.00 0.59 H new ATOM 0 HA THR A 14 13.934 6.410 2.075 1.00 0.71 H new ATOM 0 HB THR A 14 12.694 5.467 4.555 1.00 0.75 H new ATOM 0 HG1 THR A 14 11.013 6.795 4.278 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.862 7.424 5.522 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.949 6.382 4.573 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.358 7.913 3.885 1.00 0.94 H new ATOM 224 N ARG A 15 14.923 4.153 2.609 1.00 0.66 N ATOM 225 CA ARG A 15 15.493 2.804 2.635 1.00 0.67 C ATOM 226 C ARG A 15 14.915 1.933 3.755 1.00 0.71 C ATOM 227 O ARG A 15 15.035 0.708 3.705 1.00 1.19 O ATOM 228 CB ARG A 15 17.026 2.833 2.734 1.00 0.80 C ATOM 229 CG ARG A 15 17.605 4.064 3.412 1.00 0.96 C ATOM 230 CD ARG A 15 17.023 4.271 4.799 1.00 1.13 C ATOM 231 NE ARG A 15 18.030 4.752 5.741 1.00 1.43 N ATOM 232 CZ ARG A 15 17.740 5.277 6.926 1.00 1.67 C ATOM 233 NH1 ARG A 15 16.477 5.388 7.313 1.00 2.42 N ATOM 234 NH2 ARG A 15 18.715 5.692 7.723 1.00 1.90 N ATOM 0 H ARG A 15 15.614 4.903 2.609 1.00 0.66 H new ATOM 0 HA ARG A 15 15.210 2.350 1.685 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.356 1.948 3.278 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.441 2.762 1.729 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.688 3.964 3.484 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.406 4.943 2.800 1.00 0.96 H new ATOM 0 HD2 ARG A 15 16.203 4.987 4.746 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.604 3.332 5.162 1.00 1.13 H new ATOM 0 HE ARG A 15 19.012 4.681 5.474 1.00 1.43 H new ATOM 0 HH11 ARG A 15 15.726 5.070 6.700 1.00 2.42 H new ATOM 0 HH12 ARG A 15 16.256 5.791 8.223 1.00 2.42 H new ATOM 0 HH21 ARG A 15 19.687 5.608 7.426 1.00 1.90 H new ATOM 0 HH22 ARG A 15 18.493 6.095 8.633 1.00 1.90 H new ATOM 248 N HIS A 16 14.297 2.543 4.763 1.00 0.50 N ATOM 249 CA HIS A 16 13.727 1.769 5.866 1.00 0.54 C ATOM 250 C HIS A 16 12.237 2.059 6.079 1.00 0.57 C ATOM 251 O HIS A 16 11.579 1.382 6.867 1.00 0.97 O ATOM 252 CB HIS A 16 14.503 2.044 7.153 1.00 0.67 C ATOM 253 CG HIS A 16 15.598 1.054 7.408 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.496 0.004 8.293 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.840 0.966 6.864 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.652 -0.673 8.263 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.502 -0.130 7.411 1.00 0.86 N ATOM 0 H HIS A 16 14.178 3.553 4.841 1.00 0.50 H new ATOM 0 HA HIS A 16 13.814 0.716 5.599 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.932 3.045 7.104 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.811 2.035 7.995 1.00 0.67 H new ATOM 0 HD2 HIS A 16 17.249 1.639 6.125 1.00 0.78 H new ATOM 0 HE1 HIS A 16 16.861 -1.549 8.859 1.00 1.02 H new ATOM 0 HE2 HIS A 16 18.448 -0.448 7.198 1.00 0.86 H new ATOM 265 N THR A 17 11.707 3.056 5.374 1.00 0.43 N ATOM 266 CA THR A 17 10.293 3.414 5.496 1.00 0.42 C ATOM 267 C THR A 17 9.845 4.232 4.288 1.00 0.38 C ATOM 268 O THR A 17 10.444 5.261 3.980 1.00 0.56 O ATOM 269 CB THR A 17 10.050 4.215 6.778 1.00 0.56 C ATOM 270 OG1 THR A 17 10.838 5.392 6.791 1.00 0.65 O ATOM 271 CG2 THR A 17 10.361 3.443 8.042 1.00 0.68 C ATOM 0 H THR A 17 12.232 3.630 4.714 1.00 0.43 H new ATOM 0 HA THR A 17 9.712 2.493 5.538 1.00 0.42 H new ATOM 0 HB THR A 17 8.985 4.449 6.770 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.024 5.672 5.870 1.00 0.65 H new ATOM 0 HG21 THR A 17 10.166 4.073 8.910 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.732 2.554 8.089 1.00 0.68 H new ATOM 0 HG23 THR A 17 11.410 3.146 8.038 1.00 0.68 H new ATOM 279 N VAL A 18 8.795 3.784 3.595 1.00 0.27 N ATOM 280 CA VAL A 18 8.318 4.517 2.428 1.00 0.33 C ATOM 281 C VAL A 18 6.916 5.107 2.650 1.00 0.32 C ATOM 282 O VAL A 18 6.158 4.628 3.490 1.00 0.51 O ATOM 283 CB VAL A 18 8.346 3.650 1.140 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.669 2.912 0.988 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.171 2.704 1.046 1.00 0.80 C ATOM 0 H VAL A 18 8.272 2.937 3.817 1.00 0.27 H new ATOM 0 HA VAL A 18 9.012 5.346 2.287 1.00 0.33 H new ATOM 0 HB VAL A 18 8.254 4.342 0.303 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.651 2.316 0.075 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.484 3.634 0.934 1.00 0.46 H new ATOM 0 HG13 VAL A 18 9.821 2.257 1.846 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.243 2.124 0.126 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.178 2.029 1.902 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.243 3.276 1.042 1.00 0.80 H new ATOM 295 N THR A 19 6.593 6.153 1.890 1.00 0.27 N ATOM 296 CA THR A 19 5.304 6.834 1.984 1.00 0.24 C ATOM 297 C THR A 19 4.615 6.889 0.622 1.00 0.22 C ATOM 298 O THR A 19 5.180 7.427 -0.325 1.00 0.34 O ATOM 299 CB THR A 19 5.520 8.264 2.504 1.00 0.28 C ATOM 300 OG1 THR A 19 5.808 8.262 3.889 1.00 0.35 O ATOM 301 CG2 THR A 19 4.334 9.180 2.287 1.00 0.32 C ATOM 0 H THR A 19 7.219 6.552 1.191 1.00 0.27 H new ATOM 0 HA THR A 19 4.668 6.277 2.672 1.00 0.24 H new ATOM 0 HB THR A 19 6.360 8.645 1.924 1.00 0.28 H new ATOM 0 HG1 THR A 19 4.992 8.058 4.392 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.563 10.171 2.680 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.121 9.253 1.221 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.463 8.777 2.804 1.00 0.32 H new ATOM 309 N LEU A 20 3.391 6.355 0.528 1.00 0.28 N ATOM 310 CA LEU A 20 2.654 6.384 -0.738 1.00 0.26 C ATOM 311 C LEU A 20 1.226 6.899 -0.570 1.00 0.28 C ATOM 312 O LEU A 20 0.672 6.931 0.535 1.00 0.40 O ATOM 313 CB LEU A 20 2.622 5.003 -1.410 1.00 0.33 C ATOM 314 CG LEU A 20 2.956 3.806 -0.518 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.413 3.844 -0.098 1.00 0.50 C ATOM 316 CD2 LEU A 20 2.042 3.758 0.693 1.00 0.52 C ATOM 0 H LEU A 20 2.898 5.905 1.300 1.00 0.28 H new ATOM 0 HA LEU A 20 3.195 7.079 -1.380 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.628 4.850 -1.829 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.322 5.013 -2.245 1.00 0.33 H new ATOM 0 HG LEU A 20 2.792 2.896 -1.095 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.631 2.985 0.536 1.00 0.50 H new ATOM 0 HD12 LEU A 20 5.048 3.812 -0.983 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.608 4.762 0.456 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.301 2.898 1.310 1.00 0.52 H new ATOM 0 HD22 LEU A 20 2.161 4.672 1.275 1.00 0.52 H new ATOM 0 HD23 LEU A 20 1.007 3.670 0.364 1.00 0.52 H new ATOM 328 N LYS A 21 0.645 7.297 -1.702 1.00 0.25 N ATOM 329 CA LYS A 21 -0.718 7.815 -1.755 1.00 0.31 C ATOM 330 C LYS A 21 -1.454 7.207 -2.941 1.00 0.31 C ATOM 331 O LYS A 21 -0.828 6.729 -3.887 1.00 0.51 O ATOM 332 CB LYS A 21 -0.708 9.341 -1.888 1.00 0.40 C ATOM 333 CG LYS A 21 -1.222 10.062 -0.656 1.00 0.81 C ATOM 334 CD LYS A 21 -2.739 10.087 -0.609 1.00 0.95 C ATOM 335 CE LYS A 21 -3.297 11.311 -1.316 1.00 1.26 C ATOM 336 NZ LYS A 21 -4.090 12.169 -0.395 1.00 1.84 N ATOM 0 H LYS A 21 1.110 7.268 -2.610 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.228 7.545 -0.830 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.310 9.673 -2.095 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -1.317 9.626 -2.746 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -0.839 9.571 0.239 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -0.841 11.083 -0.647 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.134 9.184 -1.076 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.072 10.081 0.429 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -2.477 11.892 -1.738 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -3.925 10.995 -2.149 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.482 12.975 -0.922 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -4.867 11.613 0.015 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.476 12.520 0.368 1.00 1.84 H new ATOM 350 N TRP A 22 -2.781 7.223 -2.896 1.00 0.25 N ATOM 351 CA TRP A 22 -3.570 6.665 -3.985 1.00 0.24 C ATOM 352 C TRP A 22 -4.904 7.380 -4.150 1.00 0.24 C ATOM 353 O TRP A 22 -5.184 8.368 -3.472 1.00 0.40 O ATOM 354 CB TRP A 22 -3.802 5.174 -3.763 1.00 0.27 C ATOM 355 CG TRP A 22 -4.404 4.829 -2.440 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.701 4.488 -2.206 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.736 4.772 -1.173 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.884 4.222 -0.873 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.696 4.392 -0.219 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.424 5.007 -0.753 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.387 4.240 1.127 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.119 4.854 0.587 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.098 4.474 1.514 1.00 0.32 C ATOM 0 H TRP A 22 -3.327 7.611 -2.127 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.001 6.811 -4.903 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.453 4.799 -4.553 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.850 4.653 -3.861 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.473 4.435 -2.960 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.764 3.943 -0.440 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.664 5.302 -1.461 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.140 3.947 1.843 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.108 5.031 0.925 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.829 4.364 2.554 1.00 0.32 H new ATOM 374 N ALA A 23 -5.721 6.870 -5.071 1.00 0.31 N ATOM 375 CA ALA A 23 -7.026 7.449 -5.350 1.00 0.33 C ATOM 376 C ALA A 23 -8.119 6.850 -4.470 1.00 0.36 C ATOM 377 O ALA A 23 -7.849 6.063 -3.562 1.00 0.83 O ATOM 378 CB ALA A 23 -7.373 7.261 -6.819 1.00 0.36 C ATOM 0 H ALA A 23 -5.496 6.052 -5.637 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.971 8.513 -5.120 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.351 7.697 -7.020 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.622 7.754 -7.436 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.395 6.197 -7.054 1.00 0.36 H new ATOM 384 N LYS A 24 -9.357 7.242 -4.756 1.00 0.59 N ATOM 385 CA LYS A 24 -10.522 6.771 -4.012 1.00 0.61 C ATOM 386 C LYS A 24 -11.502 6.067 -4.952 1.00 0.59 C ATOM 387 O LYS A 24 -11.707 6.511 -6.082 1.00 0.69 O ATOM 388 CB LYS A 24 -11.199 7.971 -3.338 1.00 0.74 C ATOM 389 CG LYS A 24 -12.299 7.601 -2.362 1.00 1.21 C ATOM 390 CD LYS A 24 -13.598 7.288 -3.084 1.00 1.22 C ATOM 391 CE LYS A 24 -14.763 8.077 -2.508 1.00 1.55 C ATOM 392 NZ LYS A 24 -14.844 7.946 -1.028 1.00 2.11 N ATOM 0 H LYS A 24 -9.581 7.894 -5.508 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.207 6.056 -3.252 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.442 8.551 -2.811 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.617 8.618 -4.109 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.990 6.737 -1.774 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.458 8.422 -1.663 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.490 7.519 -4.144 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.808 6.221 -3.010 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.656 9.129 -2.774 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -15.694 7.728 -2.955 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -15.837 8.012 -0.728 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -14.455 7.026 -0.739 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -14.296 8.709 -0.581 1.00 2.11 H new ATOM 406 N PRO A 25 -12.126 4.957 -4.508 1.00 0.56 N ATOM 407 CA PRO A 25 -13.083 4.208 -5.333 1.00 0.63 C ATOM 408 C PRO A 25 -14.091 5.116 -6.031 1.00 0.75 C ATOM 409 O PRO A 25 -14.106 6.327 -5.817 1.00 0.89 O ATOM 410 CB PRO A 25 -13.782 3.307 -4.321 1.00 0.63 C ATOM 411 CG PRO A 25 -12.754 3.067 -3.272 1.00 0.71 C ATOM 412 CD PRO A 25 -11.954 4.340 -3.175 1.00 0.58 C ATOM 0 HA PRO A 25 -12.591 3.667 -6.141 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.669 3.787 -3.907 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -14.109 2.373 -4.779 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.220 2.826 -2.317 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.116 2.224 -3.537 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.326 4.988 -2.381 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.905 4.139 -2.958 1.00 0.58 H new ATOM 420 N GLU A 26 -14.929 4.523 -6.875 1.00 0.85 N ATOM 421 CA GLU A 26 -15.933 5.286 -7.613 1.00 1.05 C ATOM 422 C GLU A 26 -17.350 4.826 -7.278 1.00 0.95 C ATOM 423 O GLU A 26 -18.312 5.563 -7.492 1.00 1.12 O ATOM 424 CB GLU A 26 -15.711 5.168 -9.131 1.00 1.29 C ATOM 425 CG GLU A 26 -14.412 4.485 -9.534 1.00 1.83 C ATOM 426 CD GLU A 26 -14.212 4.455 -11.035 1.00 2.18 C ATOM 427 OE1 GLU A 26 -14.725 3.519 -11.684 1.00 2.53 O ATOM 428 OE2 GLU A 26 -13.541 5.367 -11.563 1.00 2.77 O ATOM 0 H GLU A 26 -14.934 3.521 -7.065 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.821 6.327 -7.310 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -16.545 4.616 -9.564 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -15.730 6.167 -9.566 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.574 5.004 -9.070 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -14.408 3.465 -9.150 1.00 1.83 H new ATOM 435 N TYR A 27 -17.483 3.607 -6.764 1.00 0.85 N ATOM 436 CA TYR A 27 -18.797 3.074 -6.423 1.00 0.84 C ATOM 437 C TYR A 27 -18.829 2.492 -5.014 1.00 0.86 C ATOM 438 O TYR A 27 -19.486 3.033 -4.126 1.00 1.37 O ATOM 439 CB TYR A 27 -19.207 2.001 -7.432 1.00 0.86 C ATOM 440 CG TYR A 27 -20.704 1.814 -7.535 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.503 2.769 -8.152 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.318 0.679 -7.019 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.870 2.598 -8.250 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.685 0.502 -7.113 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.459 1.473 -7.722 1.00 1.19 C ATOM 446 OH TYR A 27 -24.818 1.292 -7.826 1.00 1.35 O ATOM 0 H TYR A 27 -16.705 2.975 -6.576 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.504 3.903 -6.458 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.813 2.266 -8.413 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.748 1.053 -7.150 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -21.048 3.659 -8.561 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.717 -0.077 -6.537 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.475 3.346 -8.740 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.146 -0.389 -6.713 1.00 1.04 H new ATOM 0 HH TYR A 27 -25.069 0.445 -7.401 1.00 1.35 H new ATOM 456 N THR A 28 -18.128 1.381 -4.819 1.00 0.65 N ATOM 457 CA THR A 28 -18.091 0.720 -3.520 1.00 0.61 C ATOM 458 C THR A 28 -19.503 0.485 -3.001 1.00 0.66 C ATOM 459 O THR A 28 -19.819 0.815 -1.858 1.00 0.81 O ATOM 460 CB THR A 28 -17.295 1.548 -2.512 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.905 2.809 -2.301 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.862 1.794 -2.936 1.00 0.79 C ATOM 0 H THR A 28 -17.578 0.919 -5.543 1.00 0.65 H new ATOM 0 HA THR A 28 -17.596 -0.243 -3.645 1.00 0.61 H new ATOM 0 HB THR A 28 -17.289 0.957 -1.596 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.836 2.777 -2.605 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.354 2.387 -2.176 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.349 0.840 -3.054 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.850 2.332 -3.884 1.00 0.79 H new ATOM 470 N GLY A 29 -20.352 -0.087 -3.852 1.00 0.75 N ATOM 471 CA GLY A 29 -21.727 -0.361 -3.469 1.00 0.80 C ATOM 472 C GLY A 29 -22.364 0.784 -2.701 1.00 0.85 C ATOM 473 O GLY A 29 -22.891 1.726 -3.293 1.00 1.01 O ATOM 0 H GLY A 29 -20.111 -0.366 -4.803 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.315 -0.563 -4.364 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.756 -1.263 -2.858 1.00 0.80 H new ATOM 477 N GLY A 30 -22.301 0.703 -1.379 1.00 0.83 N ATOM 478 CA GLY A 30 -22.858 1.738 -0.530 1.00 0.89 C ATOM 479 C GLY A 30 -22.075 1.844 0.756 1.00 0.85 C ATOM 480 O GLY A 30 -22.645 1.946 1.843 1.00 0.98 O ATOM 0 H GLY A 30 -21.869 -0.071 -0.874 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.841 2.694 -1.053 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.902 1.514 -0.310 1.00 0.89 H new ATOM 484 N PHE A 31 -20.756 1.795 0.622 1.00 0.73 N ATOM 485 CA PHE A 31 -19.860 1.858 1.767 1.00 0.69 C ATOM 486 C PHE A 31 -18.885 3.022 1.649 1.00 0.67 C ATOM 487 O PHE A 31 -19.041 3.894 0.794 1.00 0.74 O ATOM 488 CB PHE A 31 -19.091 0.542 1.901 1.00 0.63 C ATOM 489 CG PHE A 31 -19.776 -0.646 1.275 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.756 -1.352 1.962 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.434 -1.056 -0.003 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.378 -2.440 1.383 1.00 0.87 C ATOM 493 CE2 PHE A 31 -20.053 -2.144 -0.586 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.050 -2.838 0.134 1.00 0.83 C ATOM 0 H PHE A 31 -20.281 1.711 -0.277 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.465 2.018 2.659 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.108 0.661 1.445 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.928 0.336 2.959 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.034 -1.046 2.960 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.674 -0.518 -0.550 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.135 -2.979 1.934 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.778 -2.461 -1.581 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.549 -3.685 -0.313 1.00 0.83 H new ATOM 504 N LYS A 32 -17.882 3.035 2.522 1.00 0.68 N ATOM 505 CA LYS A 32 -16.884 4.103 2.524 1.00 0.72 C ATOM 506 C LYS A 32 -15.492 3.608 2.930 1.00 0.66 C ATOM 507 O LYS A 32 -14.649 4.404 3.345 1.00 0.74 O ATOM 508 CB LYS A 32 -17.322 5.207 3.485 1.00 0.86 C ATOM 509 CG LYS A 32 -16.713 6.564 3.178 1.00 1.38 C ATOM 510 CD LYS A 32 -16.250 7.264 4.447 1.00 1.38 C ATOM 511 CE LYS A 32 -14.746 7.154 4.628 1.00 1.50 C ATOM 512 NZ LYS A 32 -14.093 8.491 4.675 1.00 2.26 N ATOM 0 H LYS A 32 -17.738 2.321 3.236 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.814 4.481 1.504 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -18.408 5.292 3.456 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.052 4.920 4.501 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -15.869 6.441 2.500 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.446 7.186 2.664 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -16.537 8.315 4.409 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -16.754 6.827 5.309 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -14.530 6.612 5.549 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.323 6.572 3.809 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -13.067 8.372 4.799 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -14.277 8.999 3.786 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -14.477 9.037 5.472 1.00 2.26 H new ATOM 526 N ILE A 33 -15.245 2.307 2.814 1.00 0.67 N ATOM 527 CA ILE A 33 -13.940 1.753 3.181 1.00 0.66 C ATOM 528 C ILE A 33 -13.633 2.035 4.658 1.00 0.80 C ATOM 529 O ILE A 33 -13.905 1.201 5.522 1.00 1.71 O ATOM 530 CB ILE A 33 -12.820 2.322 2.269 1.00 0.59 C ATOM 531 CG1 ILE A 33 -12.958 1.758 0.854 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.433 2.003 2.809 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.963 2.495 0.005 1.00 0.91 C ATOM 0 H ILE A 33 -15.919 1.622 2.474 1.00 0.67 H new ATOM 0 HA ILE A 33 -13.975 0.673 3.036 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.934 3.406 2.249 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -11.986 1.791 0.362 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -13.248 0.709 0.917 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.678 2.419 2.142 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.320 2.439 3.801 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.306 0.922 2.871 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -14.007 2.040 -0.984 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.945 2.440 0.474 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -13.664 3.539 -0.089 1.00 0.91 H new ATOM 545 N THR A 34 -13.072 3.211 4.937 1.00 0.72 N ATOM 546 CA THR A 34 -12.732 3.614 6.308 1.00 0.73 C ATOM 547 C THR A 34 -11.449 2.940 6.802 1.00 0.59 C ATOM 548 O THR A 34 -11.294 2.689 7.997 1.00 0.76 O ATOM 549 CB THR A 34 -13.882 3.307 7.272 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.764 1.996 7.796 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.253 3.429 6.641 1.00 1.15 C ATOM 0 H THR A 34 -12.841 3.908 4.229 1.00 0.72 H new ATOM 0 HA THR A 34 -12.562 4.690 6.286 1.00 0.73 H new ATOM 0 HB THR A 34 -13.799 4.057 8.059 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.486 1.383 7.084 1.00 1.09 H new ATOM 0 HG21 THR A 34 -16.017 3.197 7.383 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.397 4.446 6.278 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.333 2.731 5.807 1.00 1.15 H new ATOM 559 N SER A 35 -10.533 2.661 5.876 1.00 0.49 N ATOM 560 CA SER A 35 -9.250 2.025 6.198 1.00 0.47 C ATOM 561 C SER A 35 -8.633 1.415 4.948 1.00 0.45 C ATOM 562 O SER A 35 -9.342 0.944 4.063 1.00 0.72 O ATOM 563 CB SER A 35 -9.408 0.941 7.270 1.00 0.64 C ATOM 564 OG SER A 35 -8.809 1.339 8.491 1.00 1.58 O ATOM 0 H SER A 35 -10.655 2.867 4.885 1.00 0.49 H new ATOM 0 HA SER A 35 -8.593 2.801 6.591 1.00 0.47 H new ATOM 0 HB2 SER A 35 -10.466 0.736 7.431 1.00 0.64 H new ATOM 0 HB3 SER A 35 -8.952 0.013 6.923 1.00 0.64 H new ATOM 0 HG SER A 35 -9.037 2.274 8.678 1.00 1.58 H new ATOM 570 N TYR A 36 -7.310 1.428 4.878 1.00 0.27 N ATOM 571 CA TYR A 36 -6.603 0.877 3.728 1.00 0.28 C ATOM 572 C TYR A 36 -5.352 0.117 4.148 1.00 0.33 C ATOM 573 O TYR A 36 -4.416 0.693 4.703 1.00 0.68 O ATOM 574 CB TYR A 36 -6.226 1.993 2.756 1.00 0.29 C ATOM 575 CG TYR A 36 -7.415 2.715 2.164 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.172 2.135 1.153 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.783 3.976 2.616 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.261 2.792 0.610 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.870 4.639 2.079 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.605 4.042 1.077 1.00 0.60 C ATOM 581 OH TYR A 36 -10.688 4.698 0.539 1.00 0.76 O ATOM 0 H TYR A 36 -6.704 1.813 5.602 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.275 0.175 3.235 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.595 2.715 3.274 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.629 1.571 1.947 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -7.905 1.155 0.785 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -7.209 4.446 3.401 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.839 2.328 -0.176 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -9.142 5.619 2.442 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.796 5.567 0.979 1.00 0.76 H new ATOM 591 N ILE A 37 -5.338 -1.179 3.865 1.00 0.24 N ATOM 592 CA ILE A 37 -4.203 -2.024 4.196 1.00 0.26 C ATOM 593 C ILE A 37 -3.155 -1.959 3.093 1.00 0.33 C ATOM 594 O ILE A 37 -3.489 -1.991 1.908 1.00 0.70 O ATOM 595 CB ILE A 37 -4.644 -3.485 4.396 1.00 0.36 C ATOM 596 CG1 ILE A 37 -5.720 -3.568 5.478 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.456 -4.357 4.757 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.631 -4.764 5.328 1.00 1.14 C ATOM 0 H ILE A 37 -6.105 -1.668 3.404 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.773 -1.656 5.127 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.063 -3.852 3.459 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -5.239 -3.607 6.456 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.320 -2.658 5.454 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -3.788 -5.386 4.894 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.719 -4.318 3.955 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.006 -3.995 5.681 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.371 -4.761 6.129 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.139 -4.716 4.365 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.042 -5.679 5.382 1.00 1.14 H new ATOM 610 N VAL A 38 -1.889 -1.853 3.479 1.00 0.36 N ATOM 611 CA VAL A 38 -0.809 -1.770 2.502 1.00 0.42 C ATOM 612 C VAL A 38 0.040 -3.035 2.475 1.00 0.35 C ATOM 613 O VAL A 38 1.064 -3.121 3.152 1.00 0.48 O ATOM 614 CB VAL A 38 0.119 -0.568 2.773 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.838 -0.160 1.496 1.00 0.51 C ATOM 616 CG2 VAL A 38 -0.656 0.606 3.354 1.00 0.46 C ATOM 0 H VAL A 38 -1.586 -1.823 4.453 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.297 -1.644 1.536 1.00 0.42 H new ATOM 0 HB VAL A 38 0.862 -0.871 3.511 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.490 0.689 1.701 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.435 -0.996 1.132 1.00 0.51 H new ATOM 0 HG13 VAL A 38 0.105 0.119 0.739 1.00 0.51 H new ATOM 0 HG21 VAL A 38 0.025 1.438 3.534 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.429 0.916 2.651 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.120 0.306 4.294 1.00 0.46 H new ATOM 626 N GLU A 39 -0.377 -4.013 1.676 1.00 0.30 N ATOM 627 CA GLU A 39 0.369 -5.257 1.555 1.00 0.33 C ATOM 628 C GLU A 39 1.735 -4.970 0.945 1.00 0.32 C ATOM 629 O GLU A 39 1.837 -4.254 -0.051 1.00 0.43 O ATOM 630 CB GLU A 39 -0.394 -6.262 0.691 1.00 0.42 C ATOM 631 CG GLU A 39 -1.822 -6.497 1.154 1.00 0.51 C ATOM 632 CD GLU A 39 -1.922 -7.593 2.195 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.462 -7.372 3.336 1.00 1.67 O ATOM 634 OE2 GLU A 39 -2.456 -8.674 1.871 1.00 1.52 O ATOM 0 H GLU A 39 -1.222 -3.967 1.107 1.00 0.30 H new ATOM 0 HA GLU A 39 0.498 -5.691 2.547 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.408 -5.907 -0.339 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.141 -7.211 0.693 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -2.224 -5.571 1.566 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.440 -6.759 0.295 1.00 0.51 H new ATOM 641 N LYS A 40 2.783 -5.516 1.546 1.00 0.28 N ATOM 642 CA LYS A 40 4.134 -5.290 1.049 1.00 0.31 C ATOM 643 C LYS A 40 4.767 -6.574 0.536 1.00 0.29 C ATOM 644 O LYS A 40 4.700 -7.619 1.183 1.00 0.35 O ATOM 645 CB LYS A 40 5.011 -4.682 2.143 1.00 0.43 C ATOM 646 CG LYS A 40 4.766 -5.274 3.522 1.00 0.92 C ATOM 647 CD LYS A 40 6.069 -5.468 4.281 1.00 1.14 C ATOM 648 CE LYS A 40 6.422 -6.940 4.409 1.00 1.65 C ATOM 649 NZ LYS A 40 7.858 -7.196 4.116 1.00 1.97 N ATOM 0 H LYS A 40 2.726 -6.113 2.371 1.00 0.28 H new ATOM 0 HA LYS A 40 4.061 -4.592 0.215 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.059 -4.824 1.877 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.835 -3.607 2.182 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.107 -4.617 4.090 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.255 -6.231 3.423 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.873 -4.943 3.766 1.00 1.14 H new ATOM 0 HD3 LYS A 40 5.983 -5.025 5.273 1.00 1.14 H new ATOM 0 HE2 LYS A 40 6.191 -7.282 5.418 1.00 1.65 H new ATOM 0 HE3 LYS A 40 5.803 -7.522 3.726 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 8.057 -8.212 4.215 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 8.073 -6.894 3.144 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 8.449 -6.661 4.784 1.00 1.97 H new ATOM 663 N ARG A 41 5.391 -6.479 -0.630 1.00 0.36 N ATOM 664 CA ARG A 41 6.053 -7.622 -1.240 1.00 0.40 C ATOM 665 C ARG A 41 7.557 -7.388 -1.289 1.00 0.41 C ATOM 666 O ARG A 41 8.034 -6.517 -2.016 1.00 0.43 O ATOM 667 CB ARG A 41 5.508 -7.866 -2.648 1.00 0.46 C ATOM 668 CG ARG A 41 6.071 -9.112 -3.314 1.00 0.58 C ATOM 669 CD ARG A 41 5.764 -9.132 -4.802 1.00 0.88 C ATOM 670 NE ARG A 41 4.916 -10.262 -5.172 1.00 0.95 N ATOM 671 CZ ARG A 41 4.310 -10.374 -6.350 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.463 -9.428 -7.266 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.554 -11.432 -6.614 1.00 1.44 N ATOM 0 H ARG A 41 5.452 -5.618 -1.174 1.00 0.36 H new ATOM 0 HA ARG A 41 5.853 -8.506 -0.635 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.422 -7.950 -2.598 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.732 -6.999 -3.270 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.150 -9.151 -3.163 1.00 0.58 H new ATOM 0 HG3 ARG A 41 5.651 -10.000 -2.842 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.270 -8.202 -5.083 1.00 0.88 H new ATOM 0 HD3 ARG A 41 6.697 -9.180 -5.364 1.00 0.88 H new ATOM 0 HE ARG A 41 4.781 -11.007 -4.488 1.00 0.95 H new ATOM 0 HH11 ARG A 41 5.045 -8.615 -7.067 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.998 -9.513 -8.170 1.00 1.44 H new ATOM 0 HH21 ARG A 41 3.436 -12.163 -5.912 1.00 1.44 H new ATOM 0 HH22 ARG A 41 3.091 -11.515 -7.519 1.00 1.44 H new ATOM 687 N ASP A 42 8.298 -8.164 -0.506 1.00 0.50 N ATOM 688 CA ASP A 42 9.749 -8.039 -0.453 1.00 0.57 C ATOM 689 C ASP A 42 10.399 -8.743 -1.638 1.00 0.62 C ATOM 690 O ASP A 42 10.416 -9.969 -1.708 1.00 0.91 O ATOM 691 CB ASP A 42 10.282 -8.631 0.852 1.00 0.71 C ATOM 692 CG ASP A 42 9.249 -9.480 1.567 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.075 -9.473 1.138 1.00 1.59 O ATOM 694 OD2 ASP A 42 9.612 -10.151 2.555 1.00 1.49 O ATOM 0 H ASP A 42 7.916 -8.888 0.102 1.00 0.50 H new ATOM 0 HA ASP A 42 9.999 -6.979 -0.498 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.162 -9.237 0.640 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.603 -7.823 1.510 1.00 0.71 H new ATOM 699 N LEU A 43 10.935 -7.962 -2.568 1.00 0.63 N ATOM 700 CA LEU A 43 11.584 -8.524 -3.746 1.00 0.68 C ATOM 701 C LEU A 43 13.039 -8.889 -3.448 1.00 0.81 C ATOM 702 O LEU A 43 13.717 -8.188 -2.696 1.00 0.90 O ATOM 703 CB LEU A 43 11.535 -7.527 -4.913 1.00 0.62 C ATOM 704 CG LEU A 43 10.142 -7.215 -5.483 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.213 -8.418 -5.373 1.00 0.70 C ATOM 706 CD2 LEU A 43 9.545 -6.004 -4.783 1.00 0.80 C ATOM 0 H LEU A 43 10.933 -6.943 -2.530 1.00 0.63 H new ATOM 0 HA LEU A 43 11.044 -9.430 -4.023 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.987 -6.592 -4.583 1.00 0.62 H new ATOM 0 HB3 LEU A 43 12.156 -7.914 -5.720 1.00 0.62 H new ATOM 0 HG LEU A 43 10.254 -6.985 -6.542 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.237 -8.163 -5.785 1.00 0.70 H new ATOM 0 HD12 LEU A 43 9.634 -9.255 -5.930 1.00 0.70 H new ATOM 0 HD13 LEU A 43 9.103 -8.698 -4.325 1.00 0.70 H new ATOM 0 HD21 LEU A 43 8.559 -5.794 -5.197 1.00 0.80 H new ATOM 0 HD22 LEU A 43 9.455 -6.208 -3.716 1.00 0.80 H new ATOM 0 HD23 LEU A 43 10.193 -5.140 -4.934 1.00 0.80 H new ATOM 718 N PRO A 44 13.544 -9.995 -4.031 1.00 0.92 N ATOM 719 CA PRO A 44 12.796 -10.866 -4.930 1.00 0.99 C ATOM 720 C PRO A 44 12.241 -12.105 -4.227 1.00 1.15 C ATOM 721 O PRO A 44 12.350 -13.217 -4.742 1.00 1.43 O ATOM 722 CB PRO A 44 13.879 -11.267 -5.923 1.00 1.15 C ATOM 723 CG PRO A 44 15.135 -11.340 -5.104 1.00 1.25 C ATOM 724 CD PRO A 44 14.915 -10.493 -3.865 1.00 1.08 C ATOM 0 HA PRO A 44 11.920 -10.381 -5.362 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.654 -12.226 -6.390 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.971 -10.536 -6.726 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.356 -12.372 -4.830 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.988 -10.972 -5.675 1.00 1.25 H new ATOM 0 HD2 PRO A 44 15.021 -11.080 -2.953 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.634 -9.676 -3.804 1.00 1.08 H new ATOM 732 N ASN A 45 11.651 -11.914 -3.050 1.00 1.14 N ATOM 733 CA ASN A 45 11.091 -13.029 -2.292 1.00 1.33 C ATOM 734 C ASN A 45 9.951 -12.568 -1.388 1.00 1.43 C ATOM 735 O ASN A 45 10.006 -12.736 -0.169 1.00 2.42 O ATOM 736 CB ASN A 45 12.184 -13.699 -1.455 1.00 1.66 C ATOM 737 CG ASN A 45 13.484 -13.852 -2.219 1.00 1.93 C ATOM 738 OD1 ASN A 45 13.600 -14.696 -3.107 1.00 2.66 O ATOM 739 ND2 ASN A 45 14.473 -13.034 -1.875 1.00 1.89 N ATOM 0 H ASN A 45 11.549 -11.003 -2.603 1.00 1.14 H new ATOM 0 HA ASN A 45 10.689 -13.750 -3.003 1.00 1.33 H new ATOM 0 HB2 ASN A 45 12.362 -13.110 -0.555 1.00 1.66 H new ATOM 0 HB3 ASN A 45 11.839 -14.681 -1.130 1.00 1.66 H new ATOM 0 HD21 ASN A 45 15.372 -13.091 -2.353 1.00 1.89 H new ATOM 0 HD22 ASN A 45 14.333 -12.349 -1.133 1.00 1.89 H new ATOM 746 N GLY A 46 8.920 -11.985 -1.992 1.00 0.90 N ATOM 747 CA GLY A 46 7.783 -11.508 -1.228 1.00 1.12 C ATOM 748 C GLY A 46 6.499 -12.241 -1.567 1.00 0.76 C ATOM 749 O GLY A 46 6.433 -12.971 -2.555 1.00 0.96 O ATOM 0 H GLY A 46 8.852 -11.835 -2.999 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.992 -11.623 -0.164 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.648 -10.442 -1.413 1.00 1.12 H new ATOM 753 N ARG A 47 5.479 -12.043 -0.738 1.00 0.80 N ATOM 754 CA ARG A 47 4.182 -12.686 -0.942 1.00 0.76 C ATOM 755 C ARG A 47 3.051 -11.782 -0.455 1.00 0.85 C ATOM 756 O ARG A 47 1.987 -12.256 -0.058 1.00 1.71 O ATOM 757 CB ARG A 47 4.128 -14.037 -0.216 1.00 0.99 C ATOM 758 CG ARG A 47 5.043 -14.125 0.997 1.00 1.31 C ATOM 759 CD ARG A 47 4.674 -13.095 2.051 1.00 1.11 C ATOM 760 NE ARG A 47 4.788 -13.633 3.402 1.00 1.41 N ATOM 761 CZ ARG A 47 5.945 -13.956 3.970 1.00 1.71 C ATOM 762 NH1 ARG A 47 7.081 -13.796 3.304 1.00 2.41 N ATOM 763 NH2 ARG A 47 5.966 -14.440 5.205 1.00 2.03 N ATOM 0 H ARG A 47 5.524 -11.441 0.084 1.00 0.80 H new ATOM 0 HA ARG A 47 4.054 -12.860 -2.010 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.102 -14.227 0.101 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.396 -14.826 -0.918 1.00 0.99 H new ATOM 0 HG2 ARG A 47 4.983 -15.125 1.427 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.077 -13.974 0.686 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.323 -12.225 1.951 1.00 1.11 H new ATOM 0 HD3 ARG A 47 3.653 -12.752 1.882 1.00 1.11 H new ATOM 0 HE ARG A 47 3.932 -13.769 3.940 1.00 1.41 H new ATOM 0 HH11 ARG A 47 7.067 -13.424 2.354 1.00 2.41 H new ATOM 0 HH12 ARG A 47 7.968 -14.045 3.742 1.00 2.41 H new ATOM 0 HH21 ARG A 47 5.094 -14.564 5.719 1.00 2.03 H new ATOM 0 HH22 ARG A 47 6.854 -14.688 5.641 1.00 2.03 H new ATOM 777 N TRP A 48 3.298 -10.476 -0.497 1.00 0.50 N ATOM 778 CA TRP A 48 2.324 -9.477 -0.073 1.00 0.43 C ATOM 779 C TRP A 48 1.813 -9.753 1.335 1.00 0.45 C ATOM 780 O TRP A 48 1.075 -10.712 1.561 1.00 0.65 O ATOM 781 CB TRP A 48 1.151 -9.439 -1.039 1.00 0.47 C ATOM 782 CG TRP A 48 1.560 -9.250 -2.463 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.557 -10.202 -3.437 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.030 -8.045 -3.080 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.996 -9.667 -4.618 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.293 -8.348 -4.428 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.254 -6.740 -2.629 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.768 -7.401 -5.327 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.727 -5.800 -3.524 1.00 0.36 C ATOM 790 CH2 TRP A 48 2.978 -6.136 -4.859 1.00 0.38 C ATOM 0 H TRP A 48 4.179 -10.081 -0.826 1.00 0.50 H new ATOM 0 HA TRP A 48 2.828 -8.511 -0.071 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.587 -10.368 -0.951 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.479 -8.630 -0.751 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.253 -11.229 -3.298 1.00 0.52 H new ATOM 0 HE1 TRP A 48 2.087 -10.173 -5.499 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.061 -6.472 -1.601 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.964 -7.656 -6.358 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 2.906 -4.789 -3.188 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.346 -5.378 -5.534 1.00 0.38 H new ATOM 801 N LEU A 49 2.199 -8.902 2.276 1.00 0.38 N ATOM 802 CA LEU A 49 1.772 -9.048 3.661 1.00 0.42 C ATOM 803 C LEU A 49 1.532 -7.682 4.291 1.00 0.36 C ATOM 804 O LEU A 49 2.445 -6.864 4.390 1.00 0.39 O ATOM 805 CB LEU A 49 2.816 -9.825 4.463 1.00 0.52 C ATOM 806 CG LEU A 49 2.343 -11.182 4.986 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.278 -10.997 6.056 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.816 -12.037 3.844 1.00 0.84 C ATOM 0 H LEU A 49 2.808 -8.102 2.105 1.00 0.38 H new ATOM 0 HA LEU A 49 0.836 -9.607 3.675 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.694 -9.979 3.836 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.131 -9.215 5.309 1.00 0.52 H new ATOM 0 HG LEU A 49 3.193 -11.697 5.435 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.952 -11.972 6.418 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.691 -10.422 6.885 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.426 -10.464 5.633 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.483 -12.999 4.233 1.00 0.84 H new ATOM 0 HD22 LEU A 49 0.978 -11.530 3.366 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.608 -12.196 3.113 1.00 0.84 H new ATOM 820 N LYS A 50 0.296 -7.439 4.709 1.00 0.40 N ATOM 821 CA LYS A 50 -0.063 -6.167 5.320 1.00 0.40 C ATOM 822 C LYS A 50 0.919 -5.789 6.425 1.00 0.47 C ATOM 823 O LYS A 50 1.057 -6.495 7.424 1.00 0.85 O ATOM 824 CB LYS A 50 -1.493 -6.219 5.864 1.00 0.59 C ATOM 825 CG LYS A 50 -1.730 -7.302 6.905 1.00 0.72 C ATOM 826 CD LYS A 50 -2.611 -6.798 8.038 1.00 1.03 C ATOM 827 CE LYS A 50 -4.078 -6.780 7.636 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.971 -6.500 8.795 1.00 1.30 N ATOM 0 H LYS A 50 -0.473 -8.105 4.636 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.012 -5.397 4.550 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.738 -5.251 6.302 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.180 -6.375 5.032 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.199 -8.166 6.434 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.774 -7.638 7.307 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -2.480 -7.434 8.913 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.299 -5.794 8.324 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -4.234 -6.023 6.867 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -4.345 -7.741 7.196 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -5.961 -6.497 8.477 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.842 -7.236 9.518 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -4.734 -5.572 9.199 1.00 1.30 H new ATOM 842 N ALA A 51 1.603 -4.666 6.236 1.00 0.45 N ATOM 843 CA ALA A 51 2.575 -4.187 7.210 1.00 0.63 C ATOM 844 C ALA A 51 1.998 -3.051 8.041 1.00 0.55 C ATOM 845 O ALA A 51 2.222 -2.977 9.249 1.00 0.72 O ATOM 846 CB ALA A 51 3.845 -3.734 6.513 1.00 0.86 C ATOM 0 H ALA A 51 1.501 -4.070 5.415 1.00 0.45 H new ATOM 0 HA ALA A 51 2.817 -5.012 7.880 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.560 -3.379 7.255 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.277 -4.571 5.964 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.611 -2.926 5.819 1.00 0.86 H new ATOM 852 N ASN A 52 1.256 -2.162 7.382 1.00 0.42 N ATOM 853 CA ASN A 52 0.641 -1.016 8.054 1.00 0.43 C ATOM 854 C ASN A 52 0.079 -1.397 9.426 1.00 0.59 C ATOM 855 O ASN A 52 0.330 -0.714 10.420 1.00 1.60 O ATOM 856 CB ASN A 52 -0.468 -0.424 7.182 1.00 0.38 C ATOM 857 CG ASN A 52 -1.647 -1.364 7.022 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.526 -2.434 6.426 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.797 -0.966 7.555 1.00 0.62 N ATOM 0 H ASN A 52 1.065 -2.213 6.381 1.00 0.42 H new ATOM 0 HA ASN A 52 1.420 -0.269 8.208 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.811 0.512 7.623 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.063 -0.184 6.199 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.626 -1.556 7.479 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.851 -0.071 8.041 1.00 0.62 H new ATOM 866 N PHE A 53 -0.677 -2.491 9.472 1.00 0.81 N ATOM 867 CA PHE A 53 -1.272 -2.970 10.721 1.00 0.82 C ATOM 868 C PHE A 53 -1.861 -1.825 11.542 1.00 0.84 C ATOM 869 O PHE A 53 -1.675 -1.764 12.756 1.00 1.20 O ATOM 870 CB PHE A 53 -0.227 -3.718 11.558 1.00 0.96 C ATOM 871 CG PHE A 53 -0.811 -4.668 12.575 1.00 1.15 C ATOM 872 CD1 PHE A 53 -2.184 -4.751 12.748 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.005 -5.475 13.357 1.00 1.68 C ATOM 874 CE1 PHE A 53 -2.730 -5.618 13.677 1.00 1.66 C ATOM 875 CE2 PHE A 53 -0.534 -6.340 14.285 1.00 2.08 C ATOM 876 CZ PHE A 53 -1.875 -6.424 14.452 1.00 1.96 C ATOM 0 H PHE A 53 -0.894 -3.065 8.657 1.00 0.81 H new ATOM 0 HA PHE A 53 -2.082 -3.650 10.455 1.00 0.82 H new ATOM 0 HB2 PHE A 53 0.425 -4.278 10.888 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.397 -2.989 12.075 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -2.835 -4.131 12.150 1.00 1.32 H new ATOM 0 HD2 PHE A 53 1.077 -5.424 13.236 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -3.801 -5.676 13.806 1.00 1.66 H new ATOM 0 HE2 PHE A 53 0.119 -6.956 14.884 1.00 2.08 H new ATOM 0 HZ PHE A 53 -2.288 -7.108 15.179 1.00 1.96 H new ATOM 886 N SER A 54 -2.572 -0.923 10.875 1.00 0.79 N ATOM 887 CA SER A 54 -3.183 0.213 11.555 1.00 0.89 C ATOM 888 C SER A 54 -4.271 0.842 10.693 1.00 0.95 C ATOM 889 O SER A 54 -4.284 0.677 9.474 1.00 1.89 O ATOM 890 CB SER A 54 -2.123 1.259 11.901 1.00 1.00 C ATOM 891 OG SER A 54 -1.852 2.097 10.792 1.00 1.71 O ATOM 0 H SER A 54 -2.739 -0.956 9.869 1.00 0.79 H new ATOM 0 HA SER A 54 -3.639 -0.150 12.476 1.00 0.89 H new ATOM 0 HB2 SER A 54 -2.464 1.863 12.742 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.206 0.761 12.217 1.00 1.00 H new ATOM 0 HG SER A 54 -1.172 2.758 11.040 1.00 1.71 H new ATOM 897 N ASN A 55 -5.180 1.567 11.336 1.00 0.75 N ATOM 898 CA ASN A 55 -6.272 2.226 10.630 1.00 0.69 C ATOM 899 C ASN A 55 -5.734 3.284 9.674 1.00 0.66 C ATOM 900 O ASN A 55 -5.304 4.356 10.099 1.00 1.05 O ATOM 901 CB ASN A 55 -7.237 2.869 11.628 1.00 0.84 C ATOM 902 CG ASN A 55 -8.684 2.773 11.185 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.986 3.334 10.020 1.00 1.87 O flip ATOM 904 ND2 ASN A 55 -9.521 2.200 11.882 1.00 0.83 N flip ATOM 0 H ASN A 55 -5.182 1.713 12.345 1.00 0.75 H new ATOM 0 HA ASN A 55 -6.808 1.473 10.051 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -7.125 2.386 12.599 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.971 3.917 11.761 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.245 1.783 12.771 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -10.491 2.142 11.571 1.00 0.83 H new ATOM 911 N ILE A 56 -5.763 2.981 8.380 1.00 0.40 N ATOM 912 CA ILE A 56 -5.281 3.915 7.370 1.00 0.33 C ATOM 913 C ILE A 56 -6.454 4.643 6.721 1.00 0.31 C ATOM 914 O ILE A 56 -6.705 4.505 5.524 1.00 0.53 O ATOM 915 CB ILE A 56 -4.439 3.195 6.291 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.218 2.528 6.931 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.006 4.164 5.201 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.305 1.846 5.933 1.00 0.69 C ATOM 0 H ILE A 56 -6.114 2.099 8.007 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.639 4.642 7.867 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.059 2.426 5.831 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.648 3.280 7.477 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.557 1.793 7.661 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.415 3.632 4.455 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.887 4.595 4.726 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.404 4.960 5.640 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.463 1.396 6.459 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.859 1.070 5.404 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.936 2.580 5.217 1.00 0.69 H new ATOM 930 N LEU A 57 -7.174 5.416 7.536 1.00 0.44 N ATOM 931 CA LEU A 57 -8.340 6.175 7.077 1.00 0.45 C ATOM 932 C LEU A 57 -8.093 6.829 5.721 1.00 0.42 C ATOM 933 O LEU A 57 -8.586 6.357 4.696 1.00 0.60 O ATOM 934 CB LEU A 57 -8.718 7.243 8.107 1.00 0.48 C ATOM 935 CG LEU A 57 -10.179 7.218 8.562 1.00 0.85 C ATOM 936 CD1 LEU A 57 -11.110 7.401 7.374 1.00 0.72 C ATOM 937 CD2 LEU A 57 -10.490 5.921 9.291 1.00 1.60 C ATOM 0 H LEU A 57 -6.967 5.534 8.528 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.164 5.470 6.964 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.079 7.124 8.982 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.502 8.225 7.686 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.338 8.045 9.254 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -12.145 7.381 7.716 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.905 8.358 6.895 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -10.949 6.595 6.658 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -11.533 5.922 9.607 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -10.314 5.077 8.624 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -9.846 5.832 10.166 1.00 1.60 H new ATOM 949 N GLU A 58 -7.330 7.917 5.717 1.00 0.39 N ATOM 950 CA GLU A 58 -7.029 8.623 4.485 1.00 0.43 C ATOM 951 C GLU A 58 -6.204 7.740 3.564 1.00 0.51 C ATOM 952 O GLU A 58 -5.732 6.677 3.967 1.00 1.09 O ATOM 953 CB GLU A 58 -6.272 9.919 4.784 1.00 0.44 C ATOM 954 CG GLU A 58 -4.905 9.695 5.406 1.00 0.44 C ATOM 955 CD GLU A 58 -4.708 10.489 6.684 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.695 10.667 7.430 1.00 1.54 O ATOM 957 OE2 GLU A 58 -3.569 10.934 6.937 1.00 1.29 O ATOM 0 H GLU A 58 -6.911 8.325 6.553 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.967 8.872 3.990 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.153 10.482 3.858 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.871 10.533 5.456 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.776 8.634 5.619 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.133 9.972 4.688 1.00 0.44 H new ATOM 964 N ASN A 59 -6.033 8.180 2.329 1.00 0.31 N ATOM 965 CA ASN A 59 -5.260 7.417 1.362 1.00 0.28 C ATOM 966 C ASN A 59 -3.777 7.785 1.418 1.00 0.28 C ATOM 967 O ASN A 59 -3.007 7.425 0.527 1.00 0.49 O ATOM 968 CB ASN A 59 -5.800 7.628 -0.051 1.00 0.32 C ATOM 969 CG ASN A 59 -5.836 9.090 -0.447 1.00 0.86 C ATOM 970 OD1 ASN A 59 -5.278 9.946 0.242 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.496 9.386 -1.560 1.00 0.91 N ATOM 0 H ASN A 59 -6.416 9.056 1.973 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.359 6.363 1.623 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.180 7.078 -0.759 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -6.805 7.212 -0.118 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.556 10.354 -1.875 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -6.943 8.645 -2.100 1.00 0.91 H new ATOM 978 N GLU A 60 -3.378 8.494 2.473 1.00 0.29 N ATOM 979 CA GLU A 60 -1.989 8.894 2.645 1.00 0.29 C ATOM 980 C GLU A 60 -1.385 8.147 3.822 1.00 0.27 C ATOM 981 O GLU A 60 -1.711 8.422 4.977 1.00 0.35 O ATOM 982 CB GLU A 60 -1.886 10.405 2.869 1.00 0.34 C ATOM 983 CG GLU A 60 -0.458 10.909 2.995 1.00 0.49 C ATOM 984 CD GLU A 60 -0.370 12.423 2.983 1.00 1.26 C ATOM 985 OE1 GLU A 60 -1.159 13.057 2.250 1.00 1.91 O ATOM 986 OE2 GLU A 60 0.486 12.974 3.705 1.00 2.05 O ATOM 0 H GLU A 60 -4.000 8.802 3.220 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.437 8.645 1.739 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.372 10.920 2.040 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.435 10.667 3.773 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.024 10.531 3.921 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.139 10.508 2.176 1.00 0.49 H new ATOM 993 N PHE A 61 -0.516 7.188 3.527 1.00 0.24 N ATOM 994 CA PHE A 61 0.105 6.395 4.577 1.00 0.24 C ATOM 995 C PHE A 61 1.563 6.073 4.265 1.00 0.24 C ATOM 996 O PHE A 61 2.020 6.220 3.131 1.00 0.25 O ATOM 997 CB PHE A 61 -0.692 5.106 4.779 1.00 0.28 C ATOM 998 CG PHE A 61 -0.057 4.140 5.731 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.338 4.205 7.084 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.818 3.167 5.276 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.240 3.320 7.968 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.400 2.276 6.156 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.129 2.347 7.487 1.00 0.48 C ATOM 0 H PHE A 61 -0.228 6.943 2.579 1.00 0.24 H new ATOM 0 HA PHE A 61 0.096 6.983 5.495 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.687 5.360 5.145 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.822 4.617 3.814 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -1.019 4.959 7.452 1.00 0.41 H new ATOM 0 HD2 PHE A 61 1.047 3.105 4.222 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.011 3.375 9.022 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.074 1.518 5.785 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.597 1.656 8.172 1.00 0.48 H new ATOM 1013 N THR A 62 2.286 5.630 5.291 1.00 0.25 N ATOM 1014 CA THR A 62 3.692 5.281 5.157 1.00 0.27 C ATOM 1015 C THR A 62 3.943 3.862 5.634 1.00 0.29 C ATOM 1016 O THR A 62 3.651 3.531 6.782 1.00 0.35 O ATOM 1017 CB THR A 62 4.559 6.246 5.963 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.266 7.589 5.623 1.00 0.42 O ATOM 1019 CG2 THR A 62 6.046 6.029 5.771 1.00 0.37 C ATOM 0 H THR A 62 1.913 5.505 6.232 1.00 0.25 H new ATOM 0 HA THR A 62 3.956 5.352 4.102 1.00 0.27 H new ATOM 0 HB THR A 62 4.318 6.044 7.007 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.831 8.191 6.151 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.600 6.749 6.373 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.309 5.018 6.082 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.301 6.163 4.720 1.00 0.37 H new ATOM 1027 N VAL A 63 4.496 3.024 4.762 1.00 0.31 N ATOM 1028 CA VAL A 63 4.773 1.653 5.142 1.00 0.36 C ATOM 1029 C VAL A 63 6.184 1.523 5.698 1.00 0.38 C ATOM 1030 O VAL A 63 7.154 1.404 4.948 1.00 0.50 O ATOM 1031 CB VAL A 63 4.590 0.673 3.970 1.00 0.44 C ATOM 1032 CG1 VAL A 63 3.111 0.414 3.718 1.00 0.58 C ATOM 1033 CG2 VAL A 63 5.263 1.190 2.717 1.00 1.08 C ATOM 0 H VAL A 63 4.755 3.269 3.806 1.00 0.31 H new ATOM 0 HA VAL A 63 4.050 1.391 5.914 1.00 0.36 H new ATOM 0 HB VAL A 63 5.066 -0.270 4.240 1.00 0.44 H new ATOM 0 HG11 VAL A 63 3.000 -0.281 2.886 1.00 0.58 H new ATOM 0 HG12 VAL A 63 2.659 -0.015 4.612 1.00 0.58 H new ATOM 0 HG13 VAL A 63 2.613 1.353 3.475 1.00 0.58 H new ATOM 0 HG21 VAL A 63 5.117 0.477 1.905 1.00 1.08 H new ATOM 0 HG22 VAL A 63 4.827 2.150 2.440 1.00 1.08 H new ATOM 0 HG23 VAL A 63 6.330 1.316 2.902 1.00 1.08 H new ATOM 1043 N SER A 64 6.286 1.553 7.020 1.00 0.49 N ATOM 1044 CA SER A 64 7.573 1.445 7.691 1.00 0.55 C ATOM 1045 C SER A 64 7.994 -0.013 7.827 1.00 0.63 C ATOM 1046 O SER A 64 7.433 -0.895 7.177 1.00 0.99 O ATOM 1047 CB SER A 64 7.504 2.102 9.071 1.00 0.63 C ATOM 1048 OG SER A 64 6.472 3.072 9.122 1.00 1.33 O ATOM 0 H SER A 64 5.490 1.652 7.650 1.00 0.49 H new ATOM 0 HA SER A 64 8.318 1.962 7.086 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.330 1.341 9.832 1.00 0.63 H new ATOM 0 HB3 SER A 64 8.460 2.571 9.302 1.00 0.63 H new ATOM 0 HG SER A 64 6.447 3.476 10.014 1.00 1.33 H new ATOM 1054 N GLY A 65 8.984 -0.260 8.676 1.00 0.71 N ATOM 1055 CA GLY A 65 9.464 -1.612 8.879 1.00 0.78 C ATOM 1056 C GLY A 65 10.033 -2.219 7.611 1.00 0.72 C ATOM 1057 O GLY A 65 10.135 -3.439 7.491 1.00 0.90 O ATOM 0 H GLY A 65 9.463 0.452 9.227 1.00 0.71 H new ATOM 0 HA2 GLY A 65 10.231 -1.610 9.654 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.646 -2.235 9.242 1.00 0.78 H new ATOM 1061 N LEU A 66 10.404 -1.363 6.660 1.00 0.64 N ATOM 1062 CA LEU A 66 10.968 -1.819 5.395 1.00 0.65 C ATOM 1063 C LEU A 66 12.403 -2.299 5.585 1.00 0.59 C ATOM 1064 O LEU A 66 12.917 -2.326 6.704 1.00 0.65 O ATOM 1065 CB LEU A 66 10.929 -0.695 4.355 1.00 0.74 C ATOM 1066 CG LEU A 66 9.533 -0.316 3.849 1.00 0.89 C ATOM 1067 CD1 LEU A 66 9.578 1.010 3.105 1.00 0.89 C ATOM 1068 CD2 LEU A 66 8.973 -1.406 2.950 1.00 1.47 C ATOM 0 H LEU A 66 10.323 -0.350 6.744 1.00 0.64 H new ATOM 0 HA LEU A 66 10.365 -2.654 5.038 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.394 0.192 4.786 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.538 -0.992 3.501 1.00 0.74 H new ATOM 0 HG LEU A 66 8.875 -0.209 4.712 1.00 0.89 H new ATOM 0 HD11 LEU A 66 8.578 1.264 2.753 1.00 0.89 H new ATOM 0 HD12 LEU A 66 9.936 1.791 3.775 1.00 0.89 H new ATOM 0 HD13 LEU A 66 10.253 0.926 2.253 1.00 0.89 H new ATOM 0 HD21 LEU A 66 7.981 -1.117 2.602 1.00 1.47 H new ATOM 0 HD22 LEU A 66 9.632 -1.545 2.093 1.00 1.47 H new ATOM 0 HD23 LEU A 66 8.903 -2.339 3.509 1.00 1.47 H new ATOM 1080 N THR A 67 13.047 -2.674 4.485 1.00 0.65 N ATOM 1081 CA THR A 67 14.428 -3.150 4.530 1.00 0.69 C ATOM 1082 C THR A 67 15.271 -2.473 3.456 1.00 0.72 C ATOM 1083 O THR A 67 14.750 -2.026 2.434 1.00 1.06 O ATOM 1084 CB THR A 67 14.478 -4.667 4.347 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.498 -5.303 5.149 1.00 0.96 O ATOM 1086 CG2 THR A 67 15.822 -5.269 4.699 1.00 0.99 C ATOM 0 H THR A 67 12.637 -2.658 3.551 1.00 0.65 H new ATOM 0 HA THR A 67 14.838 -2.896 5.507 1.00 0.69 H new ATOM 0 HB THR A 67 14.289 -4.835 3.287 1.00 0.75 H new ATOM 0 HG1 THR A 67 12.852 -5.762 4.573 1.00 0.96 H new ATOM 0 HG21 THR A 67 15.789 -6.348 4.547 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.593 -4.836 4.061 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.054 -5.057 5.743 1.00 0.99 H new ATOM 1094 N GLU A 68 16.576 -2.401 3.691 1.00 0.66 N ATOM 1095 CA GLU A 68 17.486 -1.780 2.745 1.00 0.67 C ATOM 1096 C GLU A 68 17.981 -2.797 1.716 1.00 0.60 C ATOM 1097 O GLU A 68 17.911 -4.006 1.941 1.00 0.69 O ATOM 1098 CB GLU A 68 18.669 -1.157 3.489 1.00 0.76 C ATOM 1099 CG GLU A 68 19.357 -0.052 2.712 1.00 0.96 C ATOM 1100 CD GLU A 68 20.183 0.862 3.597 1.00 1.32 C ATOM 1101 OE1 GLU A 68 19.894 0.934 4.810 1.00 1.89 O ATOM 1102 OE2 GLU A 68 21.117 1.508 3.077 1.00 1.91 O ATOM 0 H GLU A 68 17.025 -2.767 4.531 1.00 0.66 H new ATOM 0 HA GLU A 68 16.948 -0.995 2.213 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.320 -0.758 4.441 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.396 -1.937 3.718 1.00 0.76 H new ATOM 0 HG2 GLU A 68 20.002 -0.495 1.953 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.606 0.539 2.187 1.00 0.96 H new ATOM 1109 N ASP A 69 18.474 -2.299 0.586 1.00 0.52 N ATOM 1110 CA ASP A 69 18.973 -3.159 -0.482 1.00 0.49 C ATOM 1111 C ASP A 69 17.936 -4.206 -0.864 1.00 0.44 C ATOM 1112 O ASP A 69 18.260 -5.378 -1.053 1.00 0.54 O ATOM 1113 CB ASP A 69 20.270 -3.844 -0.051 1.00 0.59 C ATOM 1114 CG ASP A 69 20.215 -5.347 -0.238 1.00 1.06 C ATOM 1115 OD1 ASP A 69 20.380 -5.807 -1.387 1.00 1.87 O ATOM 1116 OD2 ASP A 69 20.007 -6.062 0.764 1.00 1.66 O ATOM 0 H ASP A 69 18.539 -1.301 0.386 1.00 0.52 H new ATOM 0 HA ASP A 69 19.173 -2.535 -1.353 1.00 0.49 H new ATOM 0 HB2 ASP A 69 21.102 -3.438 -0.627 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.468 -3.617 0.997 1.00 0.59 H new ATOM 1121 N ALA A 70 16.684 -3.775 -0.977 1.00 0.40 N ATOM 1122 CA ALA A 70 15.597 -4.677 -1.334 1.00 0.40 C ATOM 1123 C ALA A 70 14.411 -3.915 -1.907 1.00 0.35 C ATOM 1124 O ALA A 70 13.835 -3.055 -1.241 1.00 0.36 O ATOM 1125 CB ALA A 70 15.156 -5.476 -0.120 1.00 0.49 C ATOM 0 H ALA A 70 16.398 -2.808 -0.827 1.00 0.40 H new ATOM 0 HA ALA A 70 15.968 -5.358 -2.100 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.343 -6.146 -0.401 1.00 0.49 H new ATOM 0 HB2 ALA A 70 15.996 -6.061 0.255 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.812 -4.795 0.658 1.00 0.49 H new ATOM 1131 N ALA A 71 14.041 -4.241 -3.139 1.00 0.33 N ATOM 1132 CA ALA A 71 12.912 -3.587 -3.781 1.00 0.30 C ATOM 1133 C ALA A 71 11.616 -4.003 -3.108 1.00 0.27 C ATOM 1134 O ALA A 71 11.392 -5.186 -2.854 1.00 0.36 O ATOM 1135 CB ALA A 71 12.883 -3.909 -5.268 1.00 0.34 C ATOM 0 H ALA A 71 14.503 -4.949 -3.709 1.00 0.33 H new ATOM 0 HA ALA A 71 13.023 -2.508 -3.674 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.031 -3.411 -5.732 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.805 -3.561 -5.734 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.792 -4.986 -5.405 1.00 0.34 H new ATOM 1141 N TYR A 72 10.769 -3.027 -2.800 1.00 0.24 N ATOM 1142 CA TYR A 72 9.509 -3.316 -2.133 1.00 0.24 C ATOM 1143 C TYR A 72 8.305 -2.755 -2.882 1.00 0.21 C ATOM 1144 O TYR A 72 8.172 -1.542 -3.048 1.00 0.23 O ATOM 1145 CB TYR A 72 9.524 -2.749 -0.716 1.00 0.30 C ATOM 1146 CG TYR A 72 10.295 -3.591 0.268 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.707 -4.686 0.888 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.615 -3.287 0.574 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.418 -5.455 1.790 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.331 -4.051 1.472 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.701 -5.151 2.085 1.00 0.46 C ATOM 1152 OH TYR A 72 12.444 -5.894 2.973 1.00 0.56 O ATOM 0 H TYR A 72 10.931 -2.040 -3.000 1.00 0.24 H new ATOM 0 HA TYR A 72 9.409 -4.401 -2.108 1.00 0.24 H new ATOM 0 HB2 TYR A 72 9.955 -1.748 -0.740 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.497 -2.645 -0.365 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.682 -4.940 0.663 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.088 -2.439 0.101 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.945 -6.304 2.262 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.358 -3.809 1.701 1.00 0.42 H new ATOM 0 HH TYR A 72 13.029 -6.506 2.479 1.00 0.56 H new ATOM 1162 N GLU A 73 7.416 -3.650 -3.298 1.00 0.21 N ATOM 1163 CA GLU A 73 6.196 -3.259 -3.997 1.00 0.21 C ATOM 1164 C GLU A 73 5.048 -3.259 -2.999 1.00 0.23 C ATOM 1165 O GLU A 73 5.012 -4.107 -2.107 1.00 0.32 O ATOM 1166 CB GLU A 73 5.891 -4.226 -5.140 1.00 0.25 C ATOM 1167 CG GLU A 73 6.628 -3.906 -6.427 1.00 0.65 C ATOM 1168 CD GLU A 73 5.792 -4.183 -7.660 1.00 0.68 C ATOM 1169 OE1 GLU A 73 5.824 -5.329 -8.155 1.00 1.32 O ATOM 1170 OE2 GLU A 73 5.103 -3.254 -8.132 1.00 1.50 O ATOM 0 H GLU A 73 7.518 -4.656 -3.163 1.00 0.21 H new ATOM 0 HA GLU A 73 6.327 -2.265 -4.424 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.149 -5.237 -4.826 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.819 -4.217 -5.335 1.00 0.25 H new ATOM 0 HG2 GLU A 73 6.924 -2.857 -6.421 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.544 -4.495 -6.473 1.00 0.65 H new ATOM 1177 N PHE A 74 4.115 -2.317 -3.113 1.00 0.22 N ATOM 1178 CA PHE A 74 3.008 -2.289 -2.139 1.00 0.28 C ATOM 1179 C PHE A 74 1.618 -2.307 -2.768 1.00 0.25 C ATOM 1180 O PHE A 74 1.210 -1.357 -3.435 1.00 0.30 O ATOM 1181 CB PHE A 74 3.122 -1.081 -1.198 1.00 0.39 C ATOM 1182 CG PHE A 74 4.514 -0.549 -1.052 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.460 -1.231 -0.307 1.00 0.42 C ATOM 1184 CD2 PHE A 74 4.875 0.635 -1.664 1.00 0.52 C ATOM 1185 CE1 PHE A 74 6.743 -0.739 -0.177 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.151 1.130 -1.540 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.089 0.444 -0.796 1.00 0.53 C ATOM 0 H PHE A 74 4.092 -1.592 -3.830 1.00 0.22 H new ATOM 0 HA PHE A 74 3.114 -3.216 -1.575 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.477 -0.284 -1.568 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.748 -1.364 -0.214 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.192 -2.158 0.178 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.146 1.178 -2.247 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.474 -1.279 0.407 1.00 0.49 H new ATOM 0 HE2 PHE A 74 6.420 2.057 -2.025 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.092 0.833 -0.699 1.00 0.53 H new ATOM 1197 N ARG A 75 0.886 -3.393 -2.506 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.480 -3.554 -3.001 1.00 0.34 C ATOM 1199 C ARG A 75 -1.466 -3.095 -1.934 1.00 0.31 C ATOM 1200 O ARG A 75 -1.266 -3.356 -0.750 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.755 -5.013 -3.384 1.00 0.46 C ATOM 1202 CG ARG A 75 -1.745 -5.150 -4.529 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.715 -6.538 -5.168 1.00 1.08 C ATOM 1204 NE ARG A 75 -1.351 -7.602 -4.229 1.00 0.87 N ATOM 1205 CZ ARG A 75 -2.056 -7.908 -3.139 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -3.152 -7.225 -2.840 1.00 1.87 N ATOM 1207 NH2 ARG A 75 -1.669 -8.892 -2.341 1.00 2.11 N ATOM 0 H ARG A 75 1.222 -4.179 -1.949 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.602 -2.942 -3.895 1.00 0.34 H new ATOM 0 HB2 ARG A 75 0.183 -5.493 -3.663 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -1.139 -5.545 -2.514 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -2.751 -4.945 -4.162 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -1.523 -4.400 -5.288 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -2.695 -6.757 -5.591 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -1.005 -6.534 -5.995 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.507 -8.142 -4.421 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -3.459 -6.463 -3.444 1.00 1.87 H new ATOM 0 HH12 ARG A 75 -3.689 -7.462 -2.006 1.00 1.87 H new ATOM 0 HH21 ARG A 75 -0.825 -9.423 -2.558 1.00 2.11 H new ATOM 0 HH22 ARG A 75 -2.215 -9.119 -1.510 1.00 2.11 H new ATOM 1221 N VAL A 76 -2.523 -2.401 -2.347 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.508 -1.912 -1.388 1.00 0.39 C ATOM 1223 C VAL A 76 -4.815 -2.695 -1.449 1.00 0.31 C ATOM 1224 O VAL A 76 -5.331 -3.011 -2.522 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.819 -0.400 -1.579 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -4.946 0.062 -0.658 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.586 0.447 -1.328 1.00 0.54 C ATOM 0 H VAL A 76 -2.718 -2.168 -3.321 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.052 -2.059 -0.409 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.138 -0.271 -2.613 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.136 1.123 -0.819 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.850 -0.506 -0.877 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.657 -0.101 0.380 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -2.833 1.499 -1.469 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.238 0.289 -0.307 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -1.800 0.162 -2.028 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.340 -2.969 -0.266 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.590 -3.669 -0.087 1.00 0.31 C ATOM 1239 C ILE A 77 -7.372 -2.898 0.969 1.00 0.30 C ATOM 1240 O ILE A 77 -6.773 -2.176 1.766 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.353 -5.135 0.353 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.963 -5.986 -0.855 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.581 -5.714 1.039 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.547 -7.393 -0.492 1.00 0.42 C ATOM 0 H ILE A 77 -4.895 -2.703 0.612 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.145 -3.718 -1.024 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.537 -5.145 1.075 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.806 -6.031 -1.545 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -5.144 -5.498 -1.384 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.381 -6.744 1.335 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.817 -5.122 1.923 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.426 -5.692 0.351 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -5.284 -7.940 -1.398 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.685 -7.357 0.174 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -6.372 -7.898 0.010 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.687 -3.021 0.994 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.440 -2.274 1.994 1.00 0.30 C ATOM 1258 C ALA A 78 -10.883 -2.712 2.095 1.00 0.34 C ATOM 1259 O ALA A 78 -11.632 -2.637 1.130 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.375 -0.790 1.681 1.00 0.39 C ATOM 0 H ALA A 78 -9.240 -3.603 0.365 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.977 -2.479 2.959 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.939 -0.235 2.431 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.336 -0.461 1.692 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.803 -0.607 0.696 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.283 -3.150 3.274 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.650 -3.568 3.462 1.00 0.43 C ATOM 1268 C LYS A 79 -13.581 -2.398 3.216 1.00 0.59 C ATOM 1269 O LYS A 79 -13.148 -1.330 2.782 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.874 -4.135 4.858 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.028 -5.353 5.175 1.00 1.07 C ATOM 1272 CD LYS A 79 -12.895 -6.588 5.366 1.00 1.50 C ATOM 1273 CE LYS A 79 -12.235 -7.599 6.289 1.00 1.71 C ATOM 1274 NZ LYS A 79 -12.816 -8.961 6.125 1.00 1.98 N ATOM 0 H LYS A 79 -10.689 -3.223 4.100 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.865 -4.361 2.745 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.662 -3.358 5.592 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.926 -4.398 4.967 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.317 -5.526 4.367 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.446 -5.170 6.078 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -13.861 -6.295 5.778 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.088 -7.050 4.398 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -11.165 -7.633 6.084 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -12.351 -7.277 7.324 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -12.340 -9.622 6.771 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -13.832 -8.934 6.345 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -12.682 -9.280 5.144 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.855 -2.600 3.485 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.837 -1.558 3.279 1.00 0.70 C ATOM 1290 C ASN A 80 -16.810 -1.489 4.449 1.00 0.87 C ATOM 1291 O ASN A 80 -16.930 -2.429 5.228 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.575 -1.817 1.974 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.684 -1.568 0.771 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -14.639 -2.200 0.620 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -16.087 -0.638 -0.084 1.00 2.05 N ATOM 0 H ASN A 80 -15.233 -3.476 3.846 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.330 -0.595 3.219 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -16.933 -2.846 1.956 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -17.453 -1.173 1.917 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -15.523 -0.422 -0.906 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -16.961 -0.138 0.080 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.494 -0.359 4.566 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.461 -0.132 5.640 1.00 0.82 C ATOM 1304 C ALA A 81 -19.259 -1.388 6.008 1.00 0.88 C ATOM 1305 O ALA A 81 -19.675 -1.544 7.156 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.415 0.984 5.242 1.00 0.83 C ATOM 0 H ALA A 81 -17.397 0.427 3.923 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.891 0.150 6.525 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.134 1.151 6.044 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.850 1.899 5.065 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.945 0.702 4.332 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.486 -2.272 5.039 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.257 -3.489 5.293 1.00 0.90 C ATOM 1314 C ALA A 82 -19.399 -4.757 5.265 1.00 0.88 C ATOM 1315 O ALA A 82 -19.910 -5.849 5.018 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.388 -3.602 4.283 1.00 0.94 C ATOM 0 H ALA A 82 -19.152 -2.172 4.081 1.00 0.81 H new ATOM 0 HA ALA A 82 -20.662 -3.406 6.302 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.959 -4.510 4.476 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -22.043 -2.735 4.372 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.974 -3.642 3.276 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.102 -4.616 5.521 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.219 -5.770 5.520 1.00 0.86 C ATOM 1324 C GLY A 83 -16.757 -6.169 4.130 1.00 0.78 C ATOM 1325 O GLY A 83 -15.850 -6.989 3.989 1.00 0.93 O ATOM 0 H GLY A 83 -17.647 -3.727 5.729 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.347 -5.553 6.137 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.733 -6.613 5.981 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.372 -5.591 3.101 1.00 0.72 N ATOM 1330 CA ALA A 84 -17.001 -5.900 1.727 1.00 0.78 C ATOM 1331 C ALA A 84 -15.506 -5.695 1.527 1.00 0.76 C ATOM 1332 O ALA A 84 -15.034 -4.564 1.409 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.804 -5.044 0.760 1.00 0.92 C ATOM 0 H ALA A 84 -18.125 -4.910 3.194 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.230 -6.946 1.524 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.517 -5.285 -0.264 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.867 -5.242 0.895 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.604 -3.990 0.955 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.764 -6.797 1.507 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.318 -6.739 1.342 1.00 0.40 C ATOM 1341 C ILE A 85 -12.910 -6.311 -0.060 1.00 0.38 C ATOM 1342 O ILE A 85 -12.975 -7.100 -1.001 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.656 -8.094 1.672 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -11.132 -7.951 1.688 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -13.084 -9.160 0.673 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.528 -8.031 3.074 1.00 0.79 C ATOM 0 H ILE A 85 -15.141 -7.740 1.603 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.967 -5.985 2.047 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.985 -8.406 2.663 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.696 -8.732 1.066 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.861 -6.996 1.238 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.606 -10.107 0.924 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -14.167 -9.279 0.710 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.786 -8.858 -0.331 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.446 -7.922 3.006 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.935 -7.233 3.695 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.768 -8.996 3.520 1.00 0.79 H new ATOM 1358 N SER A 86 -12.468 -5.061 -0.195 1.00 0.39 N ATOM 1359 CA SER A 86 -12.030 -4.564 -1.500 1.00 0.45 C ATOM 1360 C SER A 86 -10.777 -5.327 -1.921 1.00 0.44 C ATOM 1361 O SER A 86 -9.720 -5.178 -1.294 1.00 0.43 O ATOM 1362 CB SER A 86 -11.751 -3.061 -1.477 1.00 0.54 C ATOM 1363 OG SER A 86 -10.453 -2.787 -0.976 1.00 0.59 O ATOM 0 H SER A 86 -12.404 -4.385 0.566 1.00 0.39 H new ATOM 0 HA SER A 86 -12.833 -4.728 -2.219 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.848 -2.655 -2.484 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.496 -2.560 -0.858 1.00 0.54 H new ATOM 0 HG SER A 86 -10.518 -2.164 -0.222 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.887 -6.167 -2.974 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.773 -6.985 -3.471 1.00 0.61 C ATOM 1371 C PRO A 87 -8.471 -6.214 -3.680 1.00 0.54 C ATOM 1372 O PRO A 87 -8.391 -5.015 -3.418 1.00 0.63 O ATOM 1373 CB PRO A 87 -10.296 -7.526 -4.801 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.772 -7.562 -4.641 1.00 0.74 C ATOM 1375 CD PRO A 87 -12.121 -6.399 -3.757 1.00 0.59 C ATOM 0 HA PRO A 87 -9.504 -7.753 -2.746 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -10.004 -6.884 -5.632 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.896 -8.518 -5.009 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -12.271 -7.482 -5.607 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -12.093 -8.503 -4.193 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.395 -5.521 -4.341 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.968 -6.628 -3.110 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.425 -6.922 -4.155 1.00 0.55 N ATOM 1384 CA PRO A 88 -6.097 -6.338 -4.403 1.00 0.56 C ATOM 1385 C PRO A 88 -6.134 -5.089 -5.283 1.00 0.48 C ATOM 1386 O PRO A 88 -6.933 -4.993 -6.215 1.00 0.68 O ATOM 1387 CB PRO A 88 -5.349 -7.465 -5.121 1.00 0.69 C ATOM 1388 CG PRO A 88 -6.010 -8.715 -4.662 1.00 0.76 C ATOM 1389 CD PRO A 88 -7.457 -8.366 -4.479 1.00 0.72 C ATOM 0 HA PRO A 88 -5.633 -6.004 -3.475 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -5.416 -7.357 -6.204 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.289 -7.461 -4.866 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.889 -9.513 -5.394 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.572 -9.070 -3.729 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -8.035 -8.562 -5.382 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.912 -8.947 -3.677 1.00 0.72 H new ATOM 1397 N SER A 89 -5.250 -4.137 -4.981 1.00 0.43 N ATOM 1398 CA SER A 89 -5.160 -2.892 -5.741 1.00 0.42 C ATOM 1399 C SER A 89 -3.747 -2.703 -6.294 1.00 0.35 C ATOM 1400 O SER A 89 -2.782 -2.675 -5.527 1.00 0.51 O ATOM 1401 CB SER A 89 -5.540 -1.699 -4.862 1.00 0.56 C ATOM 1402 OG SER A 89 -6.756 -1.936 -4.174 1.00 1.28 O ATOM 0 H SER A 89 -4.584 -4.206 -4.212 1.00 0.43 H new ATOM 0 HA SER A 89 -5.859 -2.951 -6.575 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.744 -1.506 -4.143 1.00 0.56 H new ATOM 0 HB3 SER A 89 -5.636 -0.806 -5.479 1.00 0.56 H new ATOM 0 HG SER A 89 -6.612 -2.612 -3.479 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.652 -2.578 -7.630 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.377 -2.394 -8.359 1.00 0.37 C ATOM 1410 C GLU A 90 -1.229 -1.912 -7.464 1.00 0.34 C ATOM 1411 O GLU A 90 -1.159 -0.738 -7.111 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.575 -1.402 -9.506 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.934 -2.066 -10.825 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.952 -1.732 -11.931 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -0.777 -2.147 -11.827 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -2.355 -1.056 -12.899 1.00 1.77 O ATOM 0 H GLU A 90 -4.466 -2.602 -8.244 1.00 0.38 H new ATOM 0 HA GLU A 90 -2.094 -3.375 -8.741 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.363 -0.699 -9.236 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.661 -0.822 -9.637 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -2.966 -3.147 -10.687 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.934 -1.753 -11.125 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.316 -2.825 -7.079 1.00 0.30 N ATOM 1424 CA PRO A 91 0.821 -2.502 -6.211 1.00 0.29 C ATOM 1425 C PRO A 91 1.610 -1.270 -6.621 1.00 0.31 C ATOM 1426 O PRO A 91 1.440 -0.722 -7.710 1.00 0.55 O ATOM 1427 CB PRO A 91 1.708 -3.736 -6.310 1.00 0.36 C ATOM 1428 CG PRO A 91 0.774 -4.851 -6.607 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.332 -4.257 -7.444 1.00 0.39 C ATOM 0 HA PRO A 91 0.468 -2.264 -5.208 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.454 -3.625 -7.097 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.249 -3.910 -5.380 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.282 -5.652 -7.144 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.378 -5.283 -5.688 1.00 0.36 H new ATOM 0 HD2 PRO A 91 -0.150 -4.401 -8.509 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.295 -4.717 -7.220 1.00 0.39 H new ATOM 1437 N SER A 92 2.489 -0.858 -5.711 1.00 0.27 N ATOM 1438 CA SER A 92 3.352 0.295 -5.912 1.00 0.31 C ATOM 1439 C SER A 92 4.700 -0.158 -6.424 1.00 0.27 C ATOM 1440 O SER A 92 5.211 -1.193 -5.980 1.00 0.24 O ATOM 1441 CB SER A 92 3.575 1.028 -4.596 1.00 0.39 C ATOM 1442 OG SER A 92 2.682 2.106 -4.436 1.00 1.23 O ATOM 0 H SER A 92 2.621 -1.319 -4.811 1.00 0.27 H new ATOM 0 HA SER A 92 2.870 0.957 -6.631 1.00 0.31 H new ATOM 0 HB2 SER A 92 3.454 0.331 -3.767 1.00 0.39 H new ATOM 0 HB3 SER A 92 4.600 1.397 -4.555 1.00 0.39 H new ATOM 0 HG SER A 92 2.593 2.586 -5.286 1.00 1.23 H new ATOM 1448 N ASP A 93 5.281 0.624 -7.337 1.00 0.33 N ATOM 1449 CA ASP A 93 6.590 0.310 -7.901 1.00 0.36 C ATOM 1450 C ASP A 93 7.556 -0.110 -6.802 1.00 0.32 C ATOM 1451 O ASP A 93 7.635 0.529 -5.752 1.00 0.56 O ATOM 1452 CB ASP A 93 7.150 1.513 -8.661 1.00 0.45 C ATOM 1453 CG ASP A 93 6.159 2.079 -9.658 1.00 0.89 C ATOM 1454 OD1 ASP A 93 5.326 2.918 -9.256 1.00 1.55 O ATOM 1455 OD2 ASP A 93 6.216 1.682 -10.841 1.00 1.63 O ATOM 0 H ASP A 93 4.862 1.480 -7.700 1.00 0.33 H new ATOM 0 HA ASP A 93 6.471 -0.519 -8.599 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.430 2.290 -7.950 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.059 1.217 -9.184 1.00 0.45 H new ATOM 1460 N ALA A 94 8.272 -1.191 -7.044 1.00 0.33 N ATOM 1461 CA ALA A 94 9.216 -1.708 -6.070 1.00 0.28 C ATOM 1462 C ALA A 94 10.366 -0.739 -5.829 1.00 0.29 C ATOM 1463 O ALA A 94 11.116 -0.408 -6.747 1.00 0.41 O ATOM 1464 CB ALA A 94 9.747 -3.053 -6.526 1.00 0.34 C ATOM 0 H ALA A 94 8.218 -1.730 -7.908 1.00 0.33 H new ATOM 0 HA ALA A 94 8.687 -1.830 -5.125 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.455 -3.434 -5.789 1.00 0.34 H new ATOM 0 HB2 ALA A 94 8.919 -3.755 -6.630 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.249 -2.939 -7.487 1.00 0.34 H new ATOM 1470 N ILE A 95 10.500 -0.295 -4.585 1.00 0.25 N ATOM 1471 CA ILE A 95 11.562 0.627 -4.213 1.00 0.28 C ATOM 1472 C ILE A 95 12.736 -0.132 -3.604 1.00 0.26 C ATOM 1473 O ILE A 95 12.637 -0.656 -2.494 1.00 0.25 O ATOM 1474 CB ILE A 95 11.068 1.685 -3.208 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.805 2.368 -3.734 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.160 2.711 -2.943 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.525 1.804 -3.158 1.00 0.44 C ATOM 0 H ILE A 95 9.884 -0.560 -3.816 1.00 0.25 H new ATOM 0 HA ILE A 95 11.883 1.135 -5.122 1.00 0.28 H new ATOM 0 HB ILE A 95 10.825 1.189 -2.268 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.857 3.433 -3.507 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.777 2.274 -4.820 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.797 3.453 -2.231 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.037 2.211 -2.531 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.429 3.205 -3.876 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.672 2.337 -3.577 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.449 0.746 -3.407 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.531 1.922 -2.074 1.00 0.44 H new ATOM 1489 N THR A 96 13.845 -0.196 -4.340 1.00 0.29 N ATOM 1490 CA THR A 96 15.038 -0.901 -3.873 1.00 0.32 C ATOM 1491 C THR A 96 15.374 -0.531 -2.435 1.00 0.32 C ATOM 1492 O THR A 96 15.805 -1.378 -1.653 1.00 0.38 O ATOM 1493 CB THR A 96 16.232 -0.592 -4.776 1.00 0.37 C ATOM 1494 OG1 THR A 96 15.880 -0.732 -6.141 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.424 -1.488 -4.513 1.00 0.43 C ATOM 0 H THR A 96 13.942 0.231 -5.261 1.00 0.29 H new ATOM 0 HA THR A 96 14.824 -1.969 -3.913 1.00 0.32 H new ATOM 0 HB THR A 96 16.511 0.436 -4.547 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.657 -0.528 -6.702 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.238 -1.218 -5.186 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.751 -1.365 -3.481 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.143 -2.527 -4.683 1.00 0.43 H new ATOM 1503 N CYS A 97 15.176 0.736 -2.090 1.00 0.32 N ATOM 1504 CA CYS A 97 15.466 1.200 -0.741 1.00 0.36 C ATOM 1505 C CYS A 97 16.888 0.823 -0.349 1.00 0.43 C ATOM 1506 O CYS A 97 17.117 -0.237 0.222 1.00 0.64 O ATOM 1507 CB CYS A 97 14.474 0.585 0.246 1.00 0.38 C ATOM 1508 SG CYS A 97 12.953 1.539 0.458 1.00 1.10 S ATOM 0 H CYS A 97 14.819 1.454 -2.720 1.00 0.32 H new ATOM 0 HA CYS A 97 15.370 2.285 -0.715 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.216 -0.418 -0.093 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.961 0.479 1.215 1.00 0.38 H new ATOM 0 HG CYS A 97 13.013 2.210 1.570 1.00 1.10 H new ATOM 1514 N ARG A 98 17.841 1.689 -0.665 1.00 0.53 N ATOM 1515 CA ARG A 98 19.241 1.429 -0.346 1.00 0.63 C ATOM 1516 C ARG A 98 19.907 2.665 0.255 1.00 0.80 C ATOM 1517 O ARG A 98 19.871 2.868 1.469 1.00 1.04 O ATOM 1518 CB ARG A 98 20.002 0.949 -1.593 1.00 0.68 C ATOM 1519 CG ARG A 98 19.431 1.467 -2.907 1.00 0.74 C ATOM 1520 CD ARG A 98 20.523 1.967 -3.838 1.00 0.92 C ATOM 1521 NE ARG A 98 21.357 0.879 -4.343 1.00 1.64 N ATOM 1522 CZ ARG A 98 21.021 0.111 -5.376 1.00 2.31 C ATOM 1523 NH1 ARG A 98 19.875 0.311 -6.012 1.00 3.00 N ATOM 1524 NH2 ARG A 98 21.833 -0.859 -5.774 1.00 2.68 N ATOM 0 H ARG A 98 17.673 2.576 -1.141 1.00 0.53 H new ATOM 0 HA ARG A 98 19.274 0.636 0.401 1.00 0.63 H new ATOM 0 HB2 ARG A 98 21.043 1.262 -1.513 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.997 -0.141 -1.611 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.870 0.672 -3.398 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.728 2.275 -2.705 1.00 0.74 H new ATOM 0 HD2 ARG A 98 20.070 2.495 -4.677 1.00 0.92 H new ATOM 0 HD3 ARG A 98 21.148 2.687 -3.309 1.00 0.92 H new ATOM 0 HE ARG A 98 22.246 0.698 -3.878 1.00 1.64 H new ATOM 0 HH11 ARG A 98 19.247 1.056 -5.710 1.00 3.00 H new ATOM 0 HH12 ARG A 98 19.621 -0.280 -6.804 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.716 -1.017 -5.288 1.00 2.68 H new ATOM 0 HH22 ARG A 98 21.575 -1.447 -6.566 1.00 2.68 H new ATOM 1538 N ASP A 99 20.509 3.487 -0.593 1.00 0.92 N ATOM 1539 CA ASP A 99 21.177 4.702 -0.135 1.00 1.20 C ATOM 1540 C ASP A 99 20.228 5.901 -0.151 1.00 1.03 C ATOM 1541 O ASP A 99 20.584 6.985 0.308 1.00 1.20 O ATOM 1542 CB ASP A 99 22.398 4.994 -1.009 1.00 1.61 C ATOM 1543 CG ASP A 99 22.041 5.150 -2.475 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.896 5.555 -2.767 1.00 2.08 O ATOM 1545 OD2 ASP A 99 22.906 4.867 -3.329 1.00 2.14 O ATOM 0 H ASP A 99 20.550 3.337 -1.601 1.00 0.92 H new ATOM 0 HA ASP A 99 21.498 4.538 0.894 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.882 5.905 -0.658 1.00 1.61 H new ATOM 0 HB3 ASP A 99 23.121 4.186 -0.899 1.00 1.61 H new ATOM 1550 N ASP A 100 19.023 5.703 -0.679 1.00 0.85 N ATOM 1551 CA ASP A 100 18.035 6.771 -0.749 1.00 0.92 C ATOM 1552 C ASP A 100 18.530 7.921 -1.618 1.00 1.22 C ATOM 1553 O ASP A 100 18.093 9.062 -1.468 1.00 1.38 O ATOM 1554 CB ASP A 100 17.702 7.276 0.653 1.00 0.87 C ATOM 1555 CG ASP A 100 16.214 7.475 0.859 1.00 1.32 C ATOM 1556 OD1 ASP A 100 15.423 6.797 0.171 1.00 2.06 O ATOM 1557 OD2 ASP A 100 15.839 8.312 1.708 1.00 2.03 O ATOM 0 H ASP A 100 18.709 4.812 -1.064 1.00 0.85 H new ATOM 0 HA ASP A 100 17.132 6.366 -1.205 1.00 0.92 H new ATOM 0 HB2 ASP A 100 18.076 6.565 1.390 1.00 0.87 H new ATOM 0 HB3 ASP A 100 18.219 8.219 0.829 1.00 0.87 H new ATOM 1562 N VAL A 101 19.439 7.609 -2.532 1.00 1.43 N ATOM 1563 CA VAL A 101 19.992 8.605 -3.437 1.00 1.90 C ATOM 1564 C VAL A 101 19.599 8.303 -4.880 1.00 2.23 C ATOM 1565 O VAL A 101 19.614 9.189 -5.733 1.00 2.80 O ATOM 1566 CB VAL A 101 21.528 8.673 -3.334 1.00 2.20 C ATOM 1567 CG1 VAL A 101 22.069 9.812 -4.185 1.00 2.67 C ATOM 1568 CG2 VAL A 101 21.961 8.830 -1.884 1.00 2.22 C ATOM 0 H VAL A 101 19.810 6.668 -2.666 1.00 1.43 H new ATOM 0 HA VAL A 101 19.579 9.569 -3.141 1.00 1.90 H new ATOM 0 HB VAL A 101 21.941 7.738 -3.712 1.00 2.20 H new ATOM 0 HG11 VAL A 101 23.155 9.845 -4.100 1.00 2.67 H new ATOM 0 HG12 VAL A 101 21.791 9.652 -5.227 1.00 2.67 H new ATOM 0 HG13 VAL A 101 21.649 10.756 -3.839 1.00 2.67 H new ATOM 0 HG21 VAL A 101 23.049 8.876 -1.832 1.00 2.22 H new ATOM 0 HG22 VAL A 101 21.539 9.748 -1.476 1.00 2.22 H new ATOM 0 HG23 VAL A 101 21.606 7.978 -1.304 1.00 2.22 H new ATOM 1578 N GLU A 102 19.241 7.048 -5.147 1.00 1.99 N ATOM 1579 CA GLU A 102 18.839 6.643 -6.486 1.00 2.40 C ATOM 1580 C GLU A 102 19.939 6.932 -7.500 1.00 2.00 C ATOM 1581 O GLU A 102 19.922 7.959 -8.179 1.00 2.49 O ATOM 1582 CB GLU A 102 17.561 7.373 -6.875 1.00 3.22 C ATOM 1583 CG GLU A 102 16.303 6.540 -6.694 1.00 3.87 C ATOM 1584 CD GLU A 102 16.603 5.067 -6.496 1.00 4.18 C ATOM 1585 OE1 GLU A 102 17.562 4.569 -7.120 1.00 4.47 O ATOM 1586 OE2 GLU A 102 15.879 4.413 -5.716 1.00 4.58 O ATOM 0 H GLU A 102 19.222 6.299 -4.455 1.00 1.99 H new ATOM 0 HA GLU A 102 18.659 5.568 -6.485 1.00 2.40 H new ATOM 0 HB2 GLU A 102 17.475 8.280 -6.277 1.00 3.22 H new ATOM 0 HB3 GLU A 102 17.633 7.684 -7.917 1.00 3.22 H new ATOM 0 HG2 GLU A 102 15.746 6.912 -5.834 1.00 3.87 H new ATOM 0 HG3 GLU A 102 15.662 6.662 -7.567 1.00 3.87 H new ATOM 1593 N ALA A 103 20.893 6.015 -7.595 1.00 1.84 N ATOM 1594 CA ALA A 103 22.010 6.157 -8.525 1.00 2.56 C ATOM 1595 C ALA A 103 21.810 5.286 -9.760 1.00 3.21 C ATOM 1596 O ALA A 103 21.268 4.170 -9.614 1.00 3.72 O ATOM 1597 CB ALA A 103 23.319 5.806 -7.835 1.00 3.26 C ATOM 1598 OXT ALA A 103 22.198 5.724 -10.863 1.00 3.79 O ATOM 0 H ALA A 103 20.917 5.161 -7.038 1.00 1.84 H new ATOM 0 HA ALA A 103 22.051 7.197 -8.849 1.00 2.56 H new ATOM 0 HB1 ALA A 103 24.143 5.916 -8.540 1.00 3.26 H new ATOM 0 HB2 ALA A 103 23.474 6.474 -6.988 1.00 3.26 H new ATOM 0 HB3 ALA A 103 23.279 4.776 -7.482 1.00 3.26 H new TER 1604 ALA A 103