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 91:sc= 1.06 USER MOD Set 1.2: A 72 TYR OH : rot -140:sc= 0.511 USER MOD Set 2.1: A 35 SER OG : rot -150:sc= 0.405 USER MOD Set 2.2: A 55 ASN : amide:sc= 0.184 X(o=0.59,f=0.59) USER MOD Set 3.1: A 21 LYS NZ :NH3+ -166:sc= 0.0563 (180deg=0) USER MOD Set 3.2: A 59 ASN : amide:sc= -4.56! C(o=-4.5!,f=-13!) USER MOD Set 4.1: A 19 THR OG1 : rot 80:sc= -1.28! USER MOD Set 4.2: A 62 THR OG1 : rot -107:sc= 1.13 USER MOD Set 5.1: A 12 ASN :FLIP amide:sc=-0.00856 F(o=0.11,f=1) USER MOD Set 5.2: A 14 THR OG1 : rot 93:sc= 1.03 USER MOD Set 5.3: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 0 SER N :NH3+ -107:sc= 0.0357 (180deg=0) USER MOD Single : A 0 SER OG : rot -120:sc= -2.32 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.925 K(o=-0.93,f=-2.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 2:sc= 0.43 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -142:sc= -0.0509 (180deg=-1.14) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -3.55! C(o=-3.5!,f=-5.8!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.631 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -12! C(o=-12!,f=-12!) USER MOD Single : A 86 SER OG : rot -125:sc= 0.728 USER MOD Single : A 89 SER OG : rot 170:sc= 0 USER MOD Single : A 92 SER OG : rot 175:sc= -2.39 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 73:sc= -0.727 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -23.216 -6.643 -3.778 1.00 2.05 N ATOM 2 CA SER A 0 -22.630 -5.431 -4.406 1.00 1.55 C ATOM 3 C SER A 0 -21.320 -5.759 -5.117 1.00 1.39 C ATOM 4 O SER A 0 -20.627 -6.709 -4.750 1.00 1.50 O ATOM 5 CB SER A 0 -22.397 -4.385 -3.314 1.00 2.08 C ATOM 6 OG SER A 0 -21.428 -3.432 -3.717 1.00 2.74 O ATOM 0 H1 SER A 0 -24.046 -6.950 -4.324 1.00 2.05 H new ATOM 0 H2 SER A 0 -22.508 -7.405 -3.767 1.00 2.05 H new ATOM 0 H3 SER A 0 -23.504 -6.424 -2.803 1.00 2.05 H new ATOM 0 HA SER A 0 -23.319 -5.043 -5.156 1.00 1.55 H new ATOM 0 HB2 SER A 0 -23.335 -3.879 -3.085 1.00 2.08 H new ATOM 0 HB3 SER A 0 -22.068 -4.877 -2.399 1.00 2.08 H new ATOM 0 HG SER A 0 -20.674 -3.448 -3.092 1.00 2.74 H new ATOM 12 N PRO A 1 -20.962 -4.976 -6.149 1.00 1.23 N ATOM 13 CA PRO A 1 -19.730 -5.192 -6.908 1.00 1.19 C ATOM 14 C PRO A 1 -18.503 -4.647 -6.190 1.00 1.24 C ATOM 15 O PRO A 1 -17.402 -5.165 -6.366 1.00 2.06 O ATOM 16 CB PRO A 1 -19.983 -4.421 -8.201 1.00 1.18 C ATOM 17 CG PRO A 1 -20.902 -3.313 -7.810 1.00 1.26 C ATOM 18 CD PRO A 1 -21.729 -3.822 -6.654 1.00 1.24 C ATOM 0 HA PRO A 1 -19.519 -6.251 -7.058 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -19.054 -4.035 -8.620 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -20.434 -5.060 -8.961 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -20.338 -2.426 -7.521 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -21.540 -3.027 -8.646 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -21.854 -3.059 -5.886 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -22.728 -4.117 -6.977 1.00 1.24 H new ATOM 26 N ILE A 2 -18.718 -3.603 -5.386 1.00 0.68 N ATOM 27 CA ILE A 2 -17.655 -2.948 -4.613 1.00 0.61 C ATOM 28 C ILE A 2 -16.481 -2.512 -5.492 1.00 0.57 C ATOM 29 O ILE A 2 -16.148 -3.157 -6.484 1.00 0.63 O ATOM 30 CB ILE A 2 -17.142 -3.838 -3.453 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.294 -3.007 -2.483 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.343 -5.026 -3.975 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.663 -3.817 -1.366 1.00 0.56 C ATOM 0 H ILE A 2 -19.638 -3.185 -5.251 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.110 -2.055 -4.185 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.009 -4.229 -2.920 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.506 -2.505 -3.044 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.919 -2.229 -2.045 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -15.998 -5.630 -3.135 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -16.975 -5.633 -4.623 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.483 -4.666 -4.541 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -15.080 -3.158 -0.723 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.445 -4.298 -0.779 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -15.010 -4.578 -1.793 1.00 0.56 H new ATOM 45 N ASP A 3 -15.856 -1.400 -5.118 1.00 0.55 N ATOM 46 CA ASP A 3 -14.721 -0.869 -5.865 1.00 0.54 C ATOM 47 C ASP A 3 -13.590 -0.470 -4.916 1.00 0.47 C ATOM 48 O ASP A 3 -13.775 0.386 -4.051 1.00 0.49 O ATOM 49 CB ASP A 3 -15.153 0.340 -6.694 1.00 0.61 C ATOM 50 CG ASP A 3 -15.930 -0.055 -7.935 1.00 1.15 C ATOM 51 OD1 ASP A 3 -15.413 -0.869 -8.728 1.00 1.64 O ATOM 52 OD2 ASP A 3 -17.058 0.453 -8.114 1.00 2.00 O ATOM 0 H ASP A 3 -16.117 -0.848 -4.301 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.357 -1.649 -6.534 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.767 0.998 -6.079 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.271 0.909 -6.987 1.00 0.61 H new ATOM 57 N PRO A 4 -12.401 -1.085 -5.058 1.00 0.44 N ATOM 58 CA PRO A 4 -11.251 -0.784 -4.200 1.00 0.41 C ATOM 59 C PRO A 4 -10.579 0.539 -4.555 1.00 0.38 C ATOM 60 O PRO A 4 -10.904 1.161 -5.567 1.00 0.43 O ATOM 61 CB PRO A 4 -10.308 -1.954 -4.468 1.00 0.45 C ATOM 62 CG PRO A 4 -10.605 -2.345 -5.874 1.00 0.50 C ATOM 63 CD PRO A 4 -12.083 -2.124 -6.058 1.00 0.50 C ATOM 0 HA PRO A 4 -11.539 -0.674 -3.155 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.265 -1.661 -4.348 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.489 -2.778 -3.778 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.029 -1.743 -6.577 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.340 -3.387 -6.054 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.317 -1.793 -7.070 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.651 -3.038 -5.883 1.00 0.50 H new ATOM 71 N PRO A 5 -9.629 0.990 -3.716 1.00 0.37 N ATOM 72 CA PRO A 5 -8.907 2.250 -3.935 1.00 0.39 C ATOM 73 C PRO A 5 -8.204 2.294 -5.288 1.00 0.38 C ATOM 74 O PRO A 5 -8.370 1.396 -6.115 1.00 0.47 O ATOM 75 CB PRO A 5 -7.881 2.280 -2.798 1.00 0.46 C ATOM 76 CG PRO A 5 -8.444 1.386 -1.748 1.00 0.71 C ATOM 77 CD PRO A 5 -9.186 0.309 -2.485 1.00 0.43 C ATOM 0 HA PRO A 5 -9.582 3.106 -3.940 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.907 1.927 -3.136 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.740 3.293 -2.420 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.653 0.963 -1.129 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.110 1.935 -1.083 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.544 -0.544 -2.705 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.030 -0.067 -1.907 1.00 0.43 H new ATOM 85 N GLY A 6 -7.419 3.345 -5.505 1.00 0.37 N ATOM 86 CA GLY A 6 -6.700 3.492 -6.760 1.00 0.39 C ATOM 87 C GLY A 6 -5.295 2.921 -6.697 1.00 0.42 C ATOM 88 O GLY A 6 -4.929 2.264 -5.722 1.00 0.66 O ATOM 0 H GLY A 6 -7.267 4.098 -4.834 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.256 2.993 -7.554 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.648 4.548 -7.023 1.00 0.39 H new ATOM 92 N LYS A 7 -4.508 3.171 -7.739 1.00 0.41 N ATOM 93 CA LYS A 7 -3.137 2.676 -7.797 1.00 0.44 C ATOM 94 C LYS A 7 -2.233 3.468 -6.853 1.00 0.37 C ATOM 95 O LYS A 7 -2.218 4.698 -6.892 1.00 0.42 O ATOM 96 CB LYS A 7 -2.598 2.765 -9.225 1.00 0.54 C ATOM 97 CG LYS A 7 -1.163 2.285 -9.358 1.00 0.64 C ATOM 98 CD LYS A 7 -0.573 2.643 -10.713 1.00 1.01 C ATOM 99 CE LYS A 7 0.939 2.786 -10.639 1.00 0.95 C ATOM 100 NZ LYS A 7 1.475 3.643 -11.734 1.00 1.52 N ATOM 0 H LYS A 7 -4.796 3.713 -8.554 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.142 1.633 -7.482 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.234 2.173 -9.883 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.661 3.798 -9.566 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.556 2.728 -8.568 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.126 1.204 -9.219 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.832 1.873 -11.439 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -1.011 3.576 -11.068 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.216 3.214 -9.676 1.00 0.95 H new ATOM 0 HE3 LYS A 7 1.399 1.799 -10.693 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.509 3.713 -11.645 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.234 3.222 -12.654 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.056 4.593 -11.668 1.00 1.52 H new ATOM 114 N PRO A 8 -1.461 2.781 -5.988 1.00 0.34 N ATOM 115 CA PRO A 8 -0.557 3.440 -5.037 1.00 0.32 C ATOM 116 C PRO A 8 0.625 4.111 -5.719 1.00 0.33 C ATOM 117 O PRO A 8 1.156 3.606 -6.708 1.00 0.44 O ATOM 118 CB PRO A 8 -0.068 2.292 -4.142 1.00 0.39 C ATOM 119 CG PRO A 8 -1.010 1.172 -4.411 1.00 0.44 C ATOM 120 CD PRO A 8 -1.395 1.318 -5.849 1.00 0.41 C ATOM 0 HA PRO A 8 -1.064 4.238 -4.495 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.958 2.012 -4.382 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.082 2.577 -3.090 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.537 0.207 -4.226 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -1.884 1.228 -3.762 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.657 0.875 -6.518 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.351 0.842 -6.068 1.00 0.41 H new ATOM 128 N VAL A 9 1.033 5.252 -5.178 1.00 0.34 N ATOM 129 CA VAL A 9 2.156 5.998 -5.726 1.00 0.38 C ATOM 130 C VAL A 9 2.960 6.654 -4.609 1.00 0.34 C ATOM 131 O VAL A 9 2.591 7.722 -4.111 1.00 0.35 O ATOM 132 CB VAL A 9 1.695 7.085 -6.722 1.00 0.43 C ATOM 133 CG1 VAL A 9 2.811 7.413 -7.704 1.00 0.53 C ATOM 134 CG2 VAL A 9 0.437 6.652 -7.464 1.00 1.09 C ATOM 0 H VAL A 9 0.602 5.681 -4.359 1.00 0.34 H new ATOM 0 HA VAL A 9 2.781 5.283 -6.261 1.00 0.38 H new ATOM 0 HB VAL A 9 1.455 7.984 -6.155 1.00 0.43 H new ATOM 0 HG11 VAL A 9 2.470 8.180 -8.399 1.00 0.53 H new ATOM 0 HG12 VAL A 9 3.681 7.778 -7.158 1.00 0.53 H new ATOM 0 HG13 VAL A 9 3.082 6.515 -8.259 1.00 0.53 H new ATOM 0 HG21 VAL A 9 0.136 7.437 -8.158 1.00 1.09 H new ATOM 0 HG22 VAL A 9 0.639 5.735 -8.018 1.00 1.09 H new ATOM 0 HG23 VAL A 9 -0.365 6.474 -6.748 1.00 1.09 H new ATOM 144 N PRO A 10 4.065 6.015 -4.179 1.00 0.34 N ATOM 145 CA PRO A 10 4.897 6.539 -3.108 1.00 0.32 C ATOM 146 C PRO A 10 5.289 8.001 -3.302 1.00 0.37 C ATOM 147 O PRO A 10 5.812 8.380 -4.349 1.00 0.64 O ATOM 148 CB PRO A 10 6.156 5.670 -3.115 1.00 0.38 C ATOM 149 CG PRO A 10 5.969 4.625 -4.168 1.00 0.39 C ATOM 150 CD PRO A 10 4.558 4.725 -4.687 1.00 0.42 C ATOM 0 HA PRO A 10 4.347 6.507 -2.167 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.039 6.274 -3.325 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.310 5.209 -2.139 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.683 4.770 -4.979 1.00 0.39 H new ATOM 0 HG3 PRO A 10 6.153 3.633 -3.756 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.533 4.693 -5.776 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.945 3.898 -4.329 1.00 0.42 H new ATOM 158 N LEU A 11 5.060 8.811 -2.270 1.00 0.34 N ATOM 159 CA LEU A 11 5.424 10.223 -2.314 1.00 0.43 C ATOM 160 C LEU A 11 6.891 10.347 -1.933 1.00 0.43 C ATOM 161 O LEU A 11 7.629 11.176 -2.466 1.00 0.57 O ATOM 162 CB LEU A 11 4.563 11.044 -1.349 1.00 0.56 C ATOM 163 CG LEU A 11 3.068 11.081 -1.669 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.843 11.413 -3.136 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.415 9.755 -1.313 1.00 1.12 C ATOM 0 H LEU A 11 4.625 8.514 -1.396 1.00 0.34 H new ATOM 0 HA LEU A 11 5.255 10.610 -3.319 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.692 10.643 -0.344 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.939 12.067 -1.335 1.00 0.56 H new ATOM 0 HG LEU A 11 2.606 11.864 -1.067 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.773 11.435 -3.344 1.00 1.64 H new ATOM 0 HD12 LEU A 11 3.276 12.388 -3.359 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.318 10.654 -3.758 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.351 9.799 -1.547 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.880 8.954 -1.888 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.544 9.560 -0.248 1.00 1.12 H new ATOM 177 N ASN A 12 7.297 9.483 -1.009 1.00 0.34 N ATOM 178 CA ASN A 12 8.669 9.424 -0.530 1.00 0.36 C ATOM 179 C ASN A 12 9.042 7.965 -0.365 1.00 0.37 C ATOM 180 O ASN A 12 8.198 7.152 -0.003 1.00 0.58 O ATOM 181 CB ASN A 12 8.823 10.162 0.800 1.00 0.42 C ATOM 182 CG ASN A 12 10.275 10.441 1.140 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.999 9.404 1.552 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 10.744 11.574 1.032 1.00 0.71 N flip ATOM 0 H ASN A 12 6.678 8.801 -0.570 1.00 0.34 H new ATOM 0 HA ASN A 12 9.329 9.910 -1.248 1.00 0.36 H new ATOM 0 HB2 ASN A 12 8.275 11.103 0.756 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.373 9.569 1.596 1.00 0.42 H new ATOM 0 HD21 ASN A 12 10.154 12.342 0.712 1.00 0.71 H new ATOM 0 HD22 ASN A 12 11.723 11.745 1.262 1.00 0.71 H new ATOM 191 N ILE A 13 10.285 7.614 -0.644 1.00 0.38 N ATOM 192 CA ILE A 13 10.691 6.228 -0.529 1.00 0.43 C ATOM 193 C ILE A 13 12.042 6.065 0.146 1.00 0.53 C ATOM 194 O ILE A 13 13.091 6.279 -0.462 1.00 0.75 O ATOM 195 CB ILE A 13 10.708 5.565 -1.909 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.775 6.222 -2.799 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.317 5.670 -2.531 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.551 6.025 -4.281 1.00 0.96 C ATOM 0 H ILE A 13 11.017 8.257 -0.946 1.00 0.38 H new ATOM 0 HA ILE A 13 9.956 5.735 0.107 1.00 0.43 H new ATOM 0 HB ILE A 13 10.966 4.510 -1.813 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.802 7.291 -2.586 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.752 5.819 -2.534 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.322 5.200 -3.514 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.593 5.165 -1.891 1.00 0.53 H new ATOM 0 HG23 ILE A 13 9.042 6.720 -2.632 1.00 0.53 H new ATOM 0 HD11 ILE A 13 12.347 6.519 -4.838 1.00 0.96 H new ATOM 0 HD12 ILE A 13 11.554 4.960 -4.511 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.590 6.454 -4.564 1.00 0.96 H new ATOM 210 N THR A 14 12.000 5.674 1.412 1.00 0.59 N ATOM 211 CA THR A 14 13.208 5.463 2.193 1.00 0.71 C ATOM 212 C THR A 14 13.452 3.972 2.391 1.00 0.79 C ATOM 213 O THR A 14 12.514 3.187 2.529 1.00 1.46 O ATOM 214 CB THR A 14 13.105 6.169 3.545 1.00 0.75 C ATOM 215 OG1 THR A 14 12.120 7.186 3.506 1.00 0.69 O ATOM 216 CG2 THR A 14 14.403 6.810 3.983 1.00 0.94 C ATOM 0 H THR A 14 11.135 5.496 1.922 1.00 0.59 H new ATOM 0 HA THR A 14 14.051 5.887 1.648 1.00 0.71 H new ATOM 0 HB THR A 14 12.841 5.389 4.259 1.00 0.75 H new ATOM 0 HG1 THR A 14 11.264 6.824 3.817 1.00 0.69 H new ATOM 0 HG21 THR A 14 14.262 7.294 4.949 1.00 0.94 H new ATOM 0 HG22 THR A 14 15.175 6.046 4.069 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.709 7.553 3.246 1.00 0.94 H new ATOM 224 N ARG A 15 14.719 3.593 2.388 1.00 0.66 N ATOM 225 CA ARG A 15 15.113 2.197 2.551 1.00 0.67 C ATOM 226 C ARG A 15 14.376 1.503 3.701 1.00 0.71 C ATOM 227 O ARG A 15 14.260 0.278 3.709 1.00 1.19 O ATOM 228 CB ARG A 15 16.627 2.086 2.760 1.00 0.80 C ATOM 229 CG ARG A 15 17.244 3.281 3.467 1.00 0.96 C ATOM 230 CD ARG A 15 16.439 3.687 4.689 1.00 1.13 C ATOM 231 NE ARG A 15 17.245 4.436 5.646 1.00 1.43 N ATOM 232 CZ ARG A 15 16.739 5.084 6.692 1.00 1.67 C ATOM 233 NH1 ARG A 15 15.432 5.075 6.914 1.00 2.42 N ATOM 234 NH2 ARG A 15 17.542 5.742 7.516 1.00 1.90 N ATOM 0 H ARG A 15 15.502 4.237 2.274 1.00 0.66 H new ATOM 0 HA ARG A 15 14.832 1.685 1.631 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.838 1.186 3.338 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.109 1.962 1.790 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.264 3.040 3.767 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.305 4.121 2.776 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.588 4.293 4.378 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.037 2.796 5.171 1.00 1.13 H new ATOM 0 HE ARG A 15 18.255 4.465 5.505 1.00 1.43 H new ATOM 0 HH11 ARG A 15 14.811 4.570 6.282 1.00 2.42 H new ATOM 0 HH12 ARG A 15 15.048 5.573 7.717 1.00 2.42 H new ATOM 0 HH21 ARG A 15 18.548 5.752 7.348 1.00 1.90 H new ATOM 0 HH22 ARG A 15 17.154 6.239 8.318 1.00 1.90 H new ATOM 248 N HIS A 16 13.888 2.272 4.673 1.00 0.50 N ATOM 249 CA HIS A 16 13.180 1.684 5.809 1.00 0.54 C ATOM 250 C HIS A 16 11.793 2.296 6.015 1.00 0.57 C ATOM 251 O HIS A 16 11.058 1.881 6.911 1.00 0.97 O ATOM 252 CB HIS A 16 14.012 1.835 7.084 1.00 0.67 C ATOM 253 CG HIS A 16 15.072 0.788 7.226 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.341 0.118 8.399 1.00 0.97 N ATOM 255 CD2 HIS A 16 15.938 0.293 6.305 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.342 -0.742 8.160 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.739 -0.675 6.904 1.00 0.86 N ATOM 0 H HIS A 16 13.968 3.289 4.698 1.00 0.50 H new ATOM 0 HA HIS A 16 13.037 0.627 5.585 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.480 2.819 7.090 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.350 1.792 7.949 1.00 0.67 H new ATOM 0 HD1 HIS A 16 14.864 0.252 9.291 1.00 0.97 H new ATOM 0 HD2 HIS A 16 15.996 0.601 5.272 1.00 0.78 H new ATOM 0 HE1 HIS A 16 16.768 -1.404 8.900 1.00 1.02 H new ATOM 265 N THR A 17 11.430 3.273 5.188 1.00 0.43 N ATOM 266 CA THR A 17 10.123 3.917 5.298 1.00 0.42 C ATOM 267 C THR A 17 9.739 4.570 3.980 1.00 0.38 C ATOM 268 O THR A 17 10.394 5.502 3.523 1.00 0.56 O ATOM 269 CB THR A 17 10.133 4.957 6.418 1.00 0.56 C ATOM 270 OG1 THR A 17 11.376 5.634 6.460 1.00 0.65 O ATOM 271 CG2 THR A 17 9.888 4.360 7.788 1.00 0.68 C ATOM 0 H THR A 17 12.019 3.635 4.438 1.00 0.43 H new ATOM 0 HA THR A 17 9.383 3.153 5.537 1.00 0.42 H new ATOM 0 HB THR A 17 9.318 5.642 6.186 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.363 6.297 7.182 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.908 5.151 8.538 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.914 3.870 7.803 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.665 3.629 8.011 1.00 0.68 H new ATOM 279 N VAL A 18 8.679 4.064 3.367 1.00 0.27 N ATOM 280 CA VAL A 18 8.220 4.587 2.091 1.00 0.33 C ATOM 281 C VAL A 18 6.798 5.143 2.177 1.00 0.32 C ATOM 282 O VAL A 18 5.842 4.400 2.398 1.00 0.51 O ATOM 283 CB VAL A 18 8.275 3.487 1.016 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.808 4.019 -0.330 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.681 2.912 0.916 1.00 0.46 C ATOM 0 H VAL A 18 8.122 3.292 3.733 1.00 0.27 H new ATOM 0 HA VAL A 18 8.886 5.406 1.820 1.00 0.33 H new ATOM 0 HB VAL A 18 7.597 2.686 1.310 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.856 3.223 -1.073 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.781 4.374 -0.245 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.452 4.843 -0.639 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.703 2.135 0.151 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.380 3.704 0.649 1.00 0.46 H new ATOM 0 HG23 VAL A 18 9.968 2.484 1.876 1.00 0.46 H new ATOM 295 N THR A 19 6.667 6.454 1.986 1.00 0.27 N ATOM 296 CA THR A 19 5.364 7.105 2.026 1.00 0.24 C ATOM 297 C THR A 19 4.676 6.972 0.675 1.00 0.22 C ATOM 298 O THR A 19 5.347 6.968 -0.357 1.00 0.34 O ATOM 299 CB THR A 19 5.501 8.585 2.394 1.00 0.28 C ATOM 300 OG1 THR A 19 5.822 8.736 3.764 1.00 0.35 O ATOM 301 CG2 THR A 19 4.238 9.376 2.126 1.00 0.32 C ATOM 0 H THR A 19 7.448 7.084 1.802 1.00 0.27 H new ATOM 0 HA THR A 19 4.761 6.615 2.791 1.00 0.24 H new ATOM 0 HB THR A 19 6.300 8.972 1.762 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.780 8.579 3.895 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.395 10.418 2.406 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.991 9.318 1.066 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.418 8.962 2.713 1.00 0.32 H new ATOM 309 N LEU A 20 3.343 6.866 0.693 1.00 0.28 N ATOM 310 CA LEU A 20 2.576 6.720 -0.541 1.00 0.26 C ATOM 311 C LEU A 20 1.159 7.271 -0.426 1.00 0.28 C ATOM 312 O LEU A 20 0.616 7.430 0.671 1.00 0.40 O ATOM 313 CB LEU A 20 2.501 5.249 -0.974 1.00 0.33 C ATOM 314 CG LEU A 20 3.199 4.234 -0.059 1.00 0.39 C ATOM 315 CD1 LEU A 20 2.200 3.237 0.493 1.00 0.52 C ATOM 316 CD2 LEU A 20 4.306 3.546 -0.823 1.00 0.50 C ATOM 0 H LEU A 20 2.780 6.879 1.543 1.00 0.28 H new ATOM 0 HA LEU A 20 3.109 7.304 -1.292 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.451 4.970 -1.056 1.00 0.33 H new ATOM 0 HB3 LEU A 20 2.932 5.164 -1.971 1.00 0.33 H new ATOM 0 HG LEU A 20 3.639 4.755 0.792 1.00 0.39 H new ATOM 0 HD11 LEU A 20 2.715 2.526 1.139 1.00 0.52 H new ATOM 0 HD12 LEU A 20 1.439 3.765 1.068 1.00 0.52 H new ATOM 0 HD13 LEU A 20 1.727 2.702 -0.330 1.00 0.52 H new ATOM 0 HD21 LEU A 20 4.802 2.825 -0.174 1.00 0.50 H new ATOM 0 HD22 LEU A 20 3.886 3.029 -1.686 1.00 0.50 H new ATOM 0 HD23 LEU A 20 5.030 4.287 -1.162 1.00 0.50 H new ATOM 328 N LYS A 21 0.568 7.544 -1.589 1.00 0.25 N ATOM 329 CA LYS A 21 -0.791 8.065 -1.672 1.00 0.31 C ATOM 330 C LYS A 21 -1.492 7.513 -2.912 1.00 0.31 C ATOM 331 O LYS A 21 -0.849 7.262 -3.934 1.00 0.51 O ATOM 332 CB LYS A 21 -0.771 9.594 -1.713 1.00 0.40 C ATOM 333 CG LYS A 21 -2.117 10.219 -2.040 1.00 0.81 C ATOM 334 CD LYS A 21 -3.136 9.944 -0.948 1.00 0.95 C ATOM 335 CE LYS A 21 -3.446 11.198 -0.149 1.00 1.26 C ATOM 336 NZ LYS A 21 -4.452 12.058 -0.833 1.00 1.84 N ATOM 0 H LYS A 21 1.018 7.410 -2.495 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.342 7.747 -0.787 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.432 9.969 -0.747 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.041 9.918 -2.455 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.999 11.295 -2.167 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.482 9.825 -2.988 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -4.053 9.559 -1.393 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.756 9.170 -0.281 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -3.818 10.918 0.837 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -2.529 11.766 0.006 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.463 12.999 -0.390 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -4.203 12.151 -1.838 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -5.394 11.625 -0.749 1.00 1.84 H new ATOM 350 N TRP A 22 -2.805 7.322 -2.824 1.00 0.25 N ATOM 351 CA TRP A 22 -3.567 6.799 -3.954 1.00 0.24 C ATOM 352 C TRP A 22 -4.940 7.454 -4.055 1.00 0.24 C ATOM 353 O TRP A 22 -5.275 8.347 -3.278 1.00 0.40 O ATOM 354 CB TRP A 22 -3.708 5.282 -3.855 1.00 0.27 C ATOM 355 CG TRP A 22 -4.306 4.800 -2.576 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.592 4.397 -2.382 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.645 4.656 -1.316 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.774 4.015 -1.077 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.595 4.166 -0.402 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.343 4.895 -0.867 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.287 3.911 0.929 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.037 4.640 0.456 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.008 4.151 1.341 1.00 0.32 C ATOM 0 H TRP A 22 -3.359 7.519 -1.991 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.014 7.041 -4.862 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.323 4.932 -4.684 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.724 4.829 -3.975 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.357 4.380 -3.144 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.647 3.674 -0.676 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.589 5.272 -1.542 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.034 3.536 1.613 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.034 4.820 0.814 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.739 3.960 2.369 1.00 0.32 H new ATOM 374 N ALA A 23 -5.727 7.008 -5.030 1.00 0.31 N ATOM 375 CA ALA A 23 -7.061 7.556 -5.249 1.00 0.33 C ATOM 376 C ALA A 23 -8.115 6.854 -4.399 1.00 0.36 C ATOM 377 O ALA A 23 -7.821 5.900 -3.680 1.00 0.83 O ATOM 378 CB ALA A 23 -7.422 7.467 -6.723 1.00 0.36 C ATOM 0 H ALA A 23 -5.463 6.268 -5.681 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.045 8.602 -4.942 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.419 7.878 -6.879 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.700 8.035 -7.309 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.406 6.424 -7.039 1.00 0.36 H new ATOM 384 N LYS A 24 -9.350 7.343 -4.489 1.00 0.59 N ATOM 385 CA LYS A 24 -10.465 6.781 -3.735 1.00 0.61 C ATOM 386 C LYS A 24 -11.514 6.188 -4.674 1.00 0.59 C ATOM 387 O LYS A 24 -11.766 6.726 -5.752 1.00 0.69 O ATOM 388 CB LYS A 24 -11.104 7.871 -2.871 1.00 0.74 C ATOM 389 CG LYS A 24 -11.913 7.336 -1.703 1.00 1.21 C ATOM 390 CD LYS A 24 -13.360 7.088 -2.097 1.00 1.22 C ATOM 391 CE LYS A 24 -14.244 8.274 -1.744 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.632 8.107 -2.255 1.00 2.11 N ATOM 0 H LYS A 24 -9.603 8.133 -5.082 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.083 5.984 -3.097 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.319 8.524 -2.488 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.751 8.485 -3.498 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.468 6.408 -1.345 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -11.876 8.046 -0.877 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.419 6.895 -3.168 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.728 6.195 -1.592 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.269 8.398 -0.661 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -13.812 9.184 -2.159 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.201 8.937 -1.993 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.612 8.014 -3.291 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -16.055 7.253 -1.839 1.00 2.11 H new ATOM 406 N PRO A 25 -12.140 5.065 -4.279 1.00 0.56 N ATOM 407 CA PRO A 25 -13.163 4.403 -5.096 1.00 0.63 C ATOM 408 C PRO A 25 -14.256 5.363 -5.549 1.00 0.75 C ATOM 409 O PRO A 25 -14.215 6.553 -5.242 1.00 0.89 O ATOM 410 CB PRO A 25 -13.733 3.338 -4.158 1.00 0.63 C ATOM 411 CG PRO A 25 -12.623 3.048 -3.210 1.00 0.71 C ATOM 412 CD PRO A 25 -11.902 4.352 -3.012 1.00 0.58 C ATOM 0 HA PRO A 25 -12.748 3.996 -6.018 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.618 3.701 -3.635 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -14.031 2.444 -4.706 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.007 2.666 -2.264 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -11.953 2.288 -3.613 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.296 4.904 -2.159 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.838 4.200 -2.829 1.00 0.58 H new ATOM 420 N GLU A 26 -15.228 4.840 -6.291 1.00 0.85 N ATOM 421 CA GLU A 26 -16.321 5.659 -6.795 1.00 1.05 C ATOM 422 C GLU A 26 -17.685 5.092 -6.406 1.00 0.95 C ATOM 423 O GLU A 26 -18.624 5.847 -6.154 1.00 1.12 O ATOM 424 CB GLU A 26 -16.221 5.774 -8.315 1.00 1.29 C ATOM 425 CG GLU A 26 -16.107 4.430 -9.018 1.00 1.83 C ATOM 426 CD GLU A 26 -14.853 3.668 -8.628 1.00 2.18 C ATOM 427 OE1 GLU A 26 -14.354 3.882 -7.504 1.00 2.53 O ATOM 428 OE2 GLU A 26 -14.372 2.858 -9.449 1.00 2.77 O ATOM 0 H GLU A 26 -15.279 3.856 -6.555 1.00 0.85 H new ATOM 0 HA GLU A 26 -16.233 6.646 -6.342 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -17.100 6.298 -8.691 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -15.354 6.383 -8.569 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -16.983 3.826 -8.781 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -16.111 4.588 -10.097 1.00 1.83 H new ATOM 435 N TYR A 27 -17.797 3.769 -6.369 1.00 0.85 N ATOM 436 CA TYR A 27 -19.064 3.133 -6.022 1.00 0.84 C ATOM 437 C TYR A 27 -19.038 2.523 -4.625 1.00 0.86 C ATOM 438 O TYR A 27 -19.714 3.006 -3.718 1.00 1.37 O ATOM 439 CB TYR A 27 -19.415 2.049 -7.039 1.00 0.86 C ATOM 440 CG TYR A 27 -20.818 1.507 -6.873 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.901 2.367 -6.729 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.061 0.139 -6.857 1.00 0.93 C ATOM 443 CE1 TYR A 27 -23.185 1.878 -6.574 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.341 -0.357 -6.702 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.398 0.516 -6.561 1.00 1.19 C ATOM 446 OH TYR A 27 -24.675 0.027 -6.405 1.00 1.35 O ATOM 0 H TYR A 27 -17.036 3.121 -6.572 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.824 3.914 -6.037 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -19.306 2.455 -8.045 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.703 1.229 -6.947 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -21.737 3.434 -6.738 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.235 -0.548 -6.968 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -24.016 2.559 -6.464 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -22.512 -1.423 -6.691 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.654 -0.953 -6.419 1.00 1.35 H new ATOM 456 N THR A 28 -18.271 1.450 -4.467 1.00 0.65 N ATOM 457 CA THR A 28 -18.172 0.759 -3.186 1.00 0.61 C ATOM 458 C THR A 28 -19.552 0.333 -2.704 1.00 0.66 C ATOM 459 O THR A 28 -19.867 0.428 -1.518 1.00 0.81 O ATOM 460 CB THR A 28 -17.486 1.639 -2.136 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.291 2.751 -1.794 1.00 0.91 O ATOM 462 CG2 THR A 28 -16.140 2.164 -2.587 1.00 0.79 C ATOM 0 H THR A 28 -17.708 1.039 -5.211 1.00 0.65 H new ATOM 0 HA THR A 28 -17.561 -0.132 -3.330 1.00 0.61 H new ATOM 0 HB THR A 28 -17.338 0.989 -1.273 1.00 0.64 H new ATOM 0 HG1 THR A 28 -19.136 2.707 -2.288 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.707 2.780 -1.799 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.476 1.327 -2.800 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.267 2.764 -3.488 1.00 0.79 H new ATOM 470 N GLY A 29 -20.372 -0.141 -3.640 1.00 0.75 N ATOM 471 CA GLY A 29 -21.712 -0.581 -3.302 1.00 0.80 C ATOM 472 C GLY A 29 -22.489 0.482 -2.549 1.00 0.85 C ATOM 473 O GLY A 29 -23.068 1.386 -3.151 1.00 1.01 O ATOM 0 H GLY A 29 -20.130 -0.227 -4.627 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.248 -0.843 -4.214 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.654 -1.485 -2.696 1.00 0.80 H new ATOM 477 N GLY A 30 -22.489 0.371 -1.228 1.00 0.83 N ATOM 478 CA GLY A 30 -23.183 1.329 -0.388 1.00 0.89 C ATOM 479 C GLY A 30 -22.414 1.560 0.892 1.00 0.85 C ATOM 480 O GLY A 30 -22.991 1.746 1.963 1.00 0.98 O ATOM 0 H GLY A 30 -22.015 -0.374 -0.717 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -23.303 2.271 -0.923 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -24.184 0.963 -0.158 1.00 0.89 H new ATOM 484 N PHE A 31 -21.093 1.522 0.763 1.00 0.73 N ATOM 485 CA PHE A 31 -20.189 1.697 1.889 1.00 0.69 C ATOM 486 C PHE A 31 -19.385 2.989 1.772 1.00 0.67 C ATOM 487 O PHE A 31 -19.550 3.758 0.826 1.00 0.74 O ATOM 488 CB PHE A 31 -19.214 0.527 1.934 1.00 0.63 C ATOM 489 CG PHE A 31 -19.787 -0.785 1.474 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.865 -1.356 2.139 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.252 -1.446 0.381 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.394 -2.561 1.720 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.778 -2.652 -0.042 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.845 -3.209 0.621 1.00 0.83 C ATOM 0 H PHE A 31 -20.620 1.369 -0.127 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.791 1.743 2.796 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.350 0.768 1.315 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.852 0.412 2.956 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.294 -0.852 2.993 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.414 -1.014 -0.147 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.231 -2.998 2.245 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.350 -3.157 -0.895 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.257 -4.150 0.288 1.00 0.83 H new ATOM 504 N LYS A 32 -18.500 3.210 2.746 1.00 0.68 N ATOM 505 CA LYS A 32 -17.649 4.400 2.759 1.00 0.72 C ATOM 506 C LYS A 32 -16.209 4.081 3.198 1.00 0.66 C ATOM 507 O LYS A 32 -15.374 4.982 3.279 1.00 0.74 O ATOM 508 CB LYS A 32 -18.245 5.465 3.681 1.00 0.86 C ATOM 509 CG LYS A 32 -18.236 5.079 5.150 1.00 1.38 C ATOM 510 CD LYS A 32 -18.087 6.300 6.043 1.00 1.38 C ATOM 511 CE LYS A 32 -16.918 6.151 7.005 1.00 1.50 C ATOM 512 NZ LYS A 32 -17.302 6.491 8.403 1.00 2.26 N ATOM 0 H LYS A 32 -18.354 2.581 3.535 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.608 4.777 1.737 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -17.688 6.394 3.556 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -19.272 5.665 3.374 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -19.161 4.557 5.396 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.417 4.385 5.340 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -17.941 7.187 5.426 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -19.007 6.453 6.608 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -16.547 5.127 6.969 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -16.101 6.797 6.686 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -16.478 6.377 9.027 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -17.632 7.476 8.442 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -18.065 5.858 8.717 1.00 2.26 H new ATOM 526 N ILE A 33 -15.921 2.804 3.472 1.00 0.67 N ATOM 527 CA ILE A 33 -14.590 2.377 3.895 1.00 0.66 C ATOM 528 C ILE A 33 -14.140 3.099 5.163 1.00 0.80 C ATOM 529 O ILE A 33 -14.455 4.269 5.374 1.00 1.71 O ATOM 530 CB ILE A 33 -13.550 2.592 2.783 1.00 0.59 C ATOM 531 CG1 ILE A 33 -14.140 2.210 1.426 1.00 0.79 C ATOM 532 CG2 ILE A 33 -12.289 1.780 3.065 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.326 2.700 0.251 1.00 0.91 C ATOM 0 H ILE A 33 -16.600 2.046 3.407 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.660 1.311 4.110 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.280 3.648 2.760 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.227 1.125 1.370 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -15.149 2.615 1.352 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.564 1.945 2.268 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.859 2.094 4.016 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.541 0.721 3.113 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.806 2.392 -0.678 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -13.261 3.788 0.282 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.324 2.275 0.300 1.00 0.91 H new ATOM 545 N THR A 34 -13.402 2.386 6.010 1.00 0.72 N ATOM 546 CA THR A 34 -12.917 2.957 7.261 1.00 0.73 C ATOM 547 C THR A 34 -11.429 2.668 7.485 1.00 0.59 C ATOM 548 O THR A 34 -10.893 2.968 8.551 1.00 0.76 O ATOM 549 CB THR A 34 -13.735 2.415 8.434 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.235 1.159 8.855 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.203 2.236 8.110 1.00 1.15 C ATOM 0 H THR A 34 -13.128 1.416 5.853 1.00 0.72 H new ATOM 0 HA THR A 34 -13.037 4.038 7.197 1.00 0.73 H new ATOM 0 HB THR A 34 -13.641 3.164 9.221 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.770 0.829 9.607 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.724 1.849 8.985 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.633 3.197 7.827 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.310 1.533 7.284 1.00 1.15 H new ATOM 559 N SER A 35 -10.762 2.088 6.487 1.00 0.49 N ATOM 560 CA SER A 35 -9.339 1.775 6.609 1.00 0.47 C ATOM 561 C SER A 35 -8.798 1.131 5.337 1.00 0.45 C ATOM 562 O SER A 35 -9.481 0.337 4.692 1.00 0.72 O ATOM 563 CB SER A 35 -9.098 0.843 7.795 1.00 0.64 C ATOM 564 OG SER A 35 -7.839 1.098 8.395 1.00 1.58 O ATOM 0 H SER A 35 -11.180 1.828 5.594 1.00 0.49 H new ATOM 0 HA SER A 35 -8.810 2.714 6.771 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.890 0.975 8.533 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.143 -0.194 7.462 1.00 0.64 H new ATOM 0 HG SER A 35 -7.490 0.271 8.788 1.00 1.58 H new ATOM 570 N TYR A 36 -7.564 1.480 4.991 1.00 0.27 N ATOM 571 CA TYR A 36 -6.916 0.941 3.799 1.00 0.28 C ATOM 572 C TYR A 36 -5.722 0.060 4.163 1.00 0.33 C ATOM 573 O TYR A 36 -4.692 0.555 4.618 1.00 0.68 O ATOM 574 CB TYR A 36 -6.458 2.078 2.889 1.00 0.29 C ATOM 575 CG TYR A 36 -7.570 3.019 2.485 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.707 2.545 1.846 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.481 4.381 2.745 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.726 3.401 1.475 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.495 5.244 2.378 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.615 4.750 1.744 1.00 0.60 C ATOM 581 OH TYR A 36 -10.627 5.607 1.377 1.00 0.76 O ATOM 0 H TYR A 36 -6.990 2.136 5.521 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.646 0.326 3.274 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.679 2.647 3.397 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -6.009 1.654 1.991 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.797 1.490 1.635 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.605 4.771 3.242 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.604 3.017 0.977 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.411 6.300 2.587 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.393 6.522 1.640 1.00 0.76 H new ATOM 591 N ILE A 37 -5.861 -1.247 3.957 1.00 0.24 N ATOM 592 CA ILE A 37 -4.783 -2.183 4.264 1.00 0.26 C ATOM 593 C ILE A 37 -3.864 -2.360 3.057 1.00 0.33 C ATOM 594 O ILE A 37 -4.217 -3.033 2.089 1.00 0.70 O ATOM 595 CB ILE A 37 -5.309 -3.575 4.696 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.664 -3.476 5.415 1.00 0.41 C ATOM 597 CG2 ILE A 37 -4.292 -4.256 5.599 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.741 -4.335 4.790 1.00 1.14 C ATOM 0 H ILE A 37 -6.704 -1.680 3.581 1.00 0.24 H new ATOM 0 HA ILE A 37 -4.232 -1.751 5.099 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.455 -4.169 3.794 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.536 -3.768 6.457 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.992 -2.437 5.414 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.669 -5.234 5.899 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.352 -4.379 5.061 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -4.125 -3.644 6.486 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.670 -4.217 5.348 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.897 -4.028 3.756 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -7.433 -5.380 4.816 1.00 1.14 H new ATOM 610 N VAL A 38 -2.687 -1.747 3.117 1.00 0.36 N ATOM 611 CA VAL A 38 -1.723 -1.834 2.023 1.00 0.42 C ATOM 612 C VAL A 38 -0.645 -2.879 2.317 1.00 0.35 C ATOM 613 O VAL A 38 0.099 -2.766 3.292 1.00 0.48 O ATOM 614 CB VAL A 38 -1.087 -0.447 1.736 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.760 0.259 3.037 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.151 -0.538 0.845 1.00 0.51 C ATOM 0 H VAL A 38 -2.377 -1.185 3.910 1.00 0.36 H new ATOM 0 HA VAL A 38 -2.260 -2.153 1.129 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.825 0.136 1.185 1.00 0.63 H new ATOM 0 HG11 VAL A 38 -0.315 1.230 2.822 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.674 0.399 3.615 1.00 0.46 H new ATOM 0 HG13 VAL A 38 -0.056 -0.344 3.611 1.00 0.46 H new ATOM 0 HG21 VAL A 38 0.553 0.461 0.678 1.00 0.51 H new ATOM 0 HG22 VAL A 38 0.905 -1.156 1.332 1.00 0.51 H new ATOM 0 HG23 VAL A 38 -0.121 -0.984 -0.112 1.00 0.51 H new ATOM 626 N GLU A 39 -0.575 -3.892 1.457 1.00 0.30 N ATOM 627 CA GLU A 39 0.401 -4.967 1.600 1.00 0.33 C ATOM 628 C GLU A 39 1.772 -4.543 1.076 1.00 0.32 C ATOM 629 O GLU A 39 1.896 -3.562 0.340 1.00 0.43 O ATOM 630 CB GLU A 39 -0.081 -6.216 0.860 1.00 0.42 C ATOM 631 CG GLU A 39 -1.461 -6.676 1.298 1.00 0.51 C ATOM 632 CD GLU A 39 -1.539 -6.954 2.786 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.220 -8.090 3.195 1.00 1.52 O ATOM 634 OE2 GLU A 39 -1.916 -6.034 3.542 1.00 1.67 O ATOM 0 H GLU A 39 -1.188 -3.990 0.648 1.00 0.30 H new ATOM 0 HA GLU A 39 0.500 -5.194 2.661 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.096 -6.013 -0.211 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.632 -7.024 1.021 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -2.194 -5.913 1.036 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -1.730 -7.578 0.749 1.00 0.51 H new ATOM 641 N LYS A 40 2.794 -5.293 1.468 1.00 0.28 N ATOM 642 CA LYS A 40 4.164 -5.024 1.064 1.00 0.31 C ATOM 643 C LYS A 40 4.696 -6.205 0.287 1.00 0.29 C ATOM 644 O LYS A 40 4.105 -7.281 0.294 1.00 0.35 O ATOM 645 CB LYS A 40 5.006 -4.785 2.334 1.00 0.43 C ATOM 646 CG LYS A 40 6.446 -5.286 2.329 1.00 0.92 C ATOM 647 CD LYS A 40 6.921 -5.561 3.747 1.00 1.14 C ATOM 648 CE LYS A 40 6.138 -6.702 4.379 1.00 1.65 C ATOM 649 NZ LYS A 40 5.334 -6.249 5.548 1.00 1.97 N ATOM 0 H LYS A 40 2.694 -6.106 2.076 1.00 0.28 H new ATOM 0 HA LYS A 40 4.212 -4.141 0.426 1.00 0.31 H new ATOM 0 HB2 LYS A 40 5.024 -3.713 2.529 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.490 -5.253 3.172 1.00 0.43 H new ATOM 0 HG2 LYS A 40 6.518 -6.195 1.732 1.00 0.92 H new ATOM 0 HG3 LYS A 40 7.093 -4.545 1.860 1.00 0.92 H new ATOM 0 HD2 LYS A 40 7.983 -5.808 3.736 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.809 -4.661 4.352 1.00 1.14 H new ATOM 0 HE2 LYS A 40 5.476 -7.144 3.634 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.829 -7.484 4.695 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 5.352 -6.981 6.287 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 5.736 -5.367 5.925 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 4.352 -6.083 5.250 1.00 1.97 H new ATOM 663 N ARG A 41 5.832 -6.016 -0.352 1.00 0.36 N ATOM 664 CA ARG A 41 6.431 -7.101 -1.080 1.00 0.40 C ATOM 665 C ARG A 41 7.934 -6.890 -1.258 1.00 0.41 C ATOM 666 O ARG A 41 8.380 -6.343 -2.264 1.00 0.43 O ATOM 667 CB ARG A 41 5.748 -7.292 -2.434 1.00 0.46 C ATOM 668 CG ARG A 41 6.241 -8.512 -3.195 1.00 0.58 C ATOM 669 CD ARG A 41 5.089 -9.403 -3.628 1.00 0.88 C ATOM 670 NE ARG A 41 4.842 -9.321 -5.067 1.00 0.95 N ATOM 671 CZ ARG A 41 4.184 -10.252 -5.752 1.00 1.13 C ATOM 672 NH1 ARG A 41 3.711 -11.322 -5.130 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.998 -10.112 -7.058 1.00 1.44 N ATOM 0 H ARG A 41 6.347 -5.136 -0.379 1.00 0.36 H new ATOM 0 HA ARG A 41 6.289 -8.009 -0.494 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.672 -7.380 -2.280 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.912 -6.403 -3.043 1.00 0.46 H new ATOM 0 HG2 ARG A 41 6.804 -8.192 -4.072 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.926 -9.081 -2.567 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.308 -10.436 -3.356 1.00 0.88 H new ATOM 0 HD3 ARG A 41 4.186 -9.116 -3.089 1.00 0.88 H new ATOM 0 HE ARG A 41 5.193 -8.507 -5.572 1.00 0.95 H new ATOM 0 HH11 ARG A 41 3.851 -11.432 -4.126 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.206 -12.036 -5.655 1.00 1.44 H new ATOM 0 HH21 ARG A 41 4.360 -9.289 -7.539 1.00 1.44 H new ATOM 0 HH22 ARG A 41 3.493 -10.828 -7.581 1.00 1.44 H new ATOM 687 N ASP A 42 8.707 -7.332 -0.271 1.00 0.50 N ATOM 688 CA ASP A 42 10.162 -7.198 -0.311 1.00 0.57 C ATOM 689 C ASP A 42 10.758 -8.054 -1.422 1.00 0.62 C ATOM 690 O ASP A 42 11.185 -9.184 -1.188 1.00 0.91 O ATOM 691 CB ASP A 42 10.763 -7.626 1.020 1.00 0.71 C ATOM 692 CG ASP A 42 9.738 -8.256 1.940 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.559 -8.344 1.537 1.00 1.49 O ATOM 694 OD2 ASP A 42 10.114 -8.659 3.060 1.00 1.59 O ATOM 0 H ASP A 42 8.350 -7.787 0.569 1.00 0.50 H new ATOM 0 HA ASP A 42 10.397 -6.151 -0.505 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.570 -8.336 0.840 1.00 0.71 H new ATOM 0 HB3 ASP A 42 11.205 -6.759 1.512 1.00 0.71 H new ATOM 699 N LEU A 43 10.790 -7.507 -2.625 1.00 0.63 N ATOM 700 CA LEU A 43 11.342 -8.215 -3.773 1.00 0.68 C ATOM 701 C LEU A 43 12.823 -8.522 -3.554 1.00 0.81 C ATOM 702 O LEU A 43 13.476 -7.891 -2.724 1.00 0.90 O ATOM 703 CB LEU A 43 11.155 -7.381 -5.050 1.00 0.62 C ATOM 704 CG LEU A 43 9.731 -7.333 -5.639 1.00 0.64 C ATOM 705 CD1 LEU A 43 8.888 -8.522 -5.197 1.00 0.70 C ATOM 706 CD2 LEU A 43 9.047 -6.036 -5.254 1.00 0.80 C ATOM 0 H LEU A 43 10.440 -6.572 -2.835 1.00 0.63 H new ATOM 0 HA LEU A 43 10.808 -9.158 -3.887 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.472 -6.359 -4.839 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.827 -7.772 -5.814 1.00 0.62 H new ATOM 0 HG LEU A 43 9.826 -7.384 -6.724 1.00 0.64 H new ATOM 0 HD11 LEU A 43 7.893 -8.446 -5.636 1.00 0.70 H new ATOM 0 HD12 LEU A 43 9.361 -9.447 -5.528 1.00 0.70 H new ATOM 0 HD13 LEU A 43 8.806 -8.526 -4.110 1.00 0.70 H new ATOM 0 HD21 LEU A 43 8.042 -6.015 -5.676 1.00 0.80 H new ATOM 0 HD22 LEU A 43 8.986 -5.965 -4.168 1.00 0.80 H new ATOM 0 HD23 LEU A 43 9.621 -5.194 -5.640 1.00 0.80 H new ATOM 718 N PRO A 44 13.377 -9.510 -4.286 1.00 0.92 N ATOM 719 CA PRO A 44 12.654 -10.299 -5.291 1.00 0.99 C ATOM 720 C PRO A 44 11.815 -11.430 -4.697 1.00 1.15 C ATOM 721 O PRO A 44 11.487 -12.391 -5.392 1.00 1.43 O ATOM 722 CB PRO A 44 13.774 -10.885 -6.170 1.00 1.15 C ATOM 723 CG PRO A 44 15.064 -10.368 -5.608 1.00 1.25 C ATOM 724 CD PRO A 44 14.775 -9.930 -4.202 1.00 1.08 C ATOM 0 HA PRO A 44 11.938 -9.676 -5.827 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.752 -11.975 -6.153 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.653 -10.580 -7.209 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.831 -11.143 -5.623 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.440 -9.536 -6.203 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.913 -10.741 -3.487 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.426 -9.114 -3.888 1.00 1.08 H new ATOM 732 N ASN A 45 11.464 -11.325 -3.418 1.00 1.14 N ATOM 733 CA ASN A 45 10.662 -12.353 -2.774 1.00 1.33 C ATOM 734 C ASN A 45 9.512 -11.725 -1.997 1.00 1.43 C ATOM 735 O ASN A 45 8.399 -11.602 -2.512 1.00 2.42 O ATOM 736 CB ASN A 45 11.533 -13.203 -1.845 1.00 1.66 C ATOM 737 CG ASN A 45 12.493 -14.094 -2.610 1.00 1.93 C ATOM 738 OD1 ASN A 45 12.105 -15.137 -3.136 1.00 2.66 O ATOM 739 ND2 ASN A 45 13.756 -13.685 -2.676 1.00 1.89 N ATOM 0 H ASN A 45 11.721 -10.544 -2.814 1.00 1.14 H new ATOM 0 HA ASN A 45 10.243 -12.999 -3.546 1.00 1.33 H new ATOM 0 HB2 ASN A 45 12.099 -12.549 -1.182 1.00 1.66 H new ATOM 0 HB3 ASN A 45 10.893 -13.820 -1.214 1.00 1.66 H new ATOM 0 HD21 ASN A 45 14.447 -14.243 -3.178 1.00 1.89 H new ATOM 0 HD22 ASN A 45 14.034 -12.813 -2.225 1.00 1.89 H new ATOM 746 N GLY A 46 9.784 -11.325 -0.758 1.00 0.90 N ATOM 747 CA GLY A 46 8.762 -10.707 0.073 1.00 1.12 C ATOM 748 C GLY A 46 7.413 -11.396 -0.037 1.00 0.76 C ATOM 749 O GLY A 46 7.317 -12.514 -0.541 1.00 0.96 O ATOM 0 H GLY A 46 10.697 -11.418 -0.312 1.00 0.90 H new ATOM 0 HA2 GLY A 46 9.088 -10.723 1.113 1.00 1.12 H new ATOM 0 HA3 GLY A 46 8.654 -9.660 -0.211 1.00 1.12 H new ATOM 753 N ARG A 47 6.371 -10.720 0.431 1.00 0.80 N ATOM 754 CA ARG A 47 5.020 -11.264 0.376 1.00 0.76 C ATOM 755 C ARG A 47 3.999 -10.193 0.736 1.00 0.85 C ATOM 756 O ARG A 47 4.256 -9.325 1.569 1.00 1.71 O ATOM 757 CB ARG A 47 4.875 -12.473 1.303 1.00 0.99 C ATOM 758 CG ARG A 47 5.740 -12.396 2.545 1.00 1.31 C ATOM 759 CD ARG A 47 5.509 -11.101 3.297 1.00 1.11 C ATOM 760 NE ARG A 47 6.157 -11.100 4.605 1.00 1.41 N ATOM 761 CZ ARG A 47 7.457 -10.888 4.781 1.00 1.71 C ATOM 762 NH1 ARG A 47 8.242 -10.666 3.735 1.00 2.41 N ATOM 763 NH2 ARG A 47 7.973 -10.899 6.002 1.00 2.03 N ATOM 0 H ARG A 47 6.436 -9.794 0.853 1.00 0.80 H new ATOM 0 HA ARG A 47 4.832 -11.596 -0.645 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.831 -12.566 1.603 1.00 0.99 H new ATOM 0 HB3 ARG A 47 5.129 -13.377 0.749 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.520 -13.242 3.197 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.790 -12.474 2.265 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.887 -10.267 2.706 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.438 -10.942 3.424 1.00 1.11 H new ATOM 0 HE ARG A 47 5.581 -11.271 5.429 1.00 1.41 H new ATOM 0 HH11 ARG A 47 7.848 -10.658 2.794 1.00 2.41 H new ATOM 0 HH12 ARG A 47 9.240 -10.503 3.871 1.00 2.41 H new ATOM 0 HH21 ARG A 47 7.372 -11.070 6.808 1.00 2.03 H new ATOM 0 HH22 ARG A 47 8.971 -10.736 6.135 1.00 2.03 H new ATOM 777 N TRP A 48 2.846 -10.259 0.087 1.00 0.50 N ATOM 778 CA TRP A 48 1.781 -9.302 0.306 1.00 0.43 C ATOM 779 C TRP A 48 1.216 -9.399 1.714 1.00 0.45 C ATOM 780 O TRP A 48 0.136 -9.952 1.927 1.00 0.65 O ATOM 781 CB TRP A 48 0.667 -9.496 -0.718 1.00 0.47 C ATOM 782 CG TRP A 48 1.141 -9.342 -2.127 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.061 -10.268 -3.125 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.778 -8.192 -2.694 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.608 -9.763 -4.278 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.053 -8.491 -4.040 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.140 -6.936 -2.196 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.674 -7.583 -4.893 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.756 -6.036 -3.043 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.017 -6.364 -4.379 1.00 0.38 C ATOM 0 H TRP A 48 2.626 -10.977 -0.604 1.00 0.50 H new ATOM 0 HA TRP A 48 2.209 -8.307 0.185 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.233 -10.488 -0.592 1.00 0.47 H new ATOM 0 HB3 TRP A 48 -0.127 -8.774 -0.526 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.631 -11.253 -3.023 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.672 -10.256 -5.169 1.00 0.50 H new ATOM 0 HE3 TRP A 48 1.941 -6.675 -1.167 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.877 -7.833 -5.924 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.041 -5.064 -2.669 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.500 -5.638 -5.017 1.00 0.38 H new ATOM 801 N LEU A 49 1.948 -8.852 2.672 1.00 0.38 N ATOM 802 CA LEU A 49 1.522 -8.865 4.061 1.00 0.42 C ATOM 803 C LEU A 49 1.208 -7.447 4.519 1.00 0.36 C ATOM 804 O LEU A 49 1.704 -6.483 3.940 1.00 0.39 O ATOM 805 CB LEU A 49 2.608 -9.481 4.940 1.00 0.52 C ATOM 806 CG LEU A 49 2.262 -10.850 5.530 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.294 -10.699 6.694 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.675 -11.758 4.459 1.00 0.84 C ATOM 0 H LEU A 49 2.844 -8.392 2.511 1.00 0.38 H new ATOM 0 HA LEU A 49 0.621 -9.471 4.151 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.521 -9.576 4.352 1.00 0.52 H new ATOM 0 HB3 LEU A 49 2.826 -8.794 5.758 1.00 0.52 H new ATOM 0 HG LEU A 49 3.178 -11.307 5.903 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.059 -11.682 7.101 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.751 -10.084 7.470 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.378 -10.222 6.346 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.435 -12.727 4.896 1.00 0.84 H new ATOM 0 HD22 LEU A 49 0.768 -11.307 4.056 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.401 -11.891 3.657 1.00 0.84 H new ATOM 820 N LYS A 50 0.380 -7.324 5.550 1.00 0.40 N ATOM 821 CA LYS A 50 0.004 -6.013 6.067 1.00 0.40 C ATOM 822 C LYS A 50 1.233 -5.145 6.319 1.00 0.47 C ATOM 823 O LYS A 50 1.802 -5.163 7.411 1.00 0.85 O ATOM 824 CB LYS A 50 -0.799 -6.151 7.363 1.00 0.59 C ATOM 825 CG LYS A 50 -1.931 -7.163 7.283 1.00 0.72 C ATOM 826 CD LYS A 50 -3.156 -6.689 8.052 1.00 1.03 C ATOM 827 CE LYS A 50 -2.808 -6.308 9.482 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.024 -6.047 10.302 1.00 1.30 N ATOM 0 H LYS A 50 -0.042 -8.111 6.042 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.616 -5.530 5.311 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -0.123 -6.440 8.168 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -1.213 -5.178 7.627 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.197 -7.331 6.240 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -1.595 -8.119 7.684 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.596 -5.831 7.543 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -3.909 -7.477 8.058 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.227 -7.109 9.939 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -2.177 -5.420 9.477 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -3.742 -5.791 11.270 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.566 -5.265 9.881 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -4.615 -6.903 10.329 1.00 1.30 H new ATOM 842 N ALA A 51 1.634 -4.379 5.309 1.00 0.45 N ATOM 843 CA ALA A 51 2.787 -3.501 5.439 1.00 0.63 C ATOM 844 C ALA A 51 2.539 -2.499 6.555 1.00 0.55 C ATOM 845 O ALA A 51 3.464 -2.066 7.243 1.00 0.72 O ATOM 846 CB ALA A 51 3.064 -2.783 4.126 1.00 0.86 C ATOM 0 H ALA A 51 1.179 -4.350 4.397 1.00 0.45 H new ATOM 0 HA ALA A 51 3.664 -4.099 5.686 1.00 0.63 H new ATOM 0 HB1 ALA A 51 3.930 -2.131 4.243 1.00 0.86 H new ATOM 0 HB2 ALA A 51 3.265 -3.517 3.346 1.00 0.86 H new ATOM 0 HB3 ALA A 51 2.196 -2.186 3.847 1.00 0.86 H new ATOM 852 N ASN A 52 1.270 -2.142 6.726 1.00 0.42 N ATOM 853 CA ASN A 52 0.869 -1.197 7.755 1.00 0.43 C ATOM 854 C ASN A 52 0.500 -1.936 9.049 1.00 0.59 C ATOM 855 O ASN A 52 1.104 -2.958 9.376 1.00 1.60 O ATOM 856 CB ASN A 52 -0.304 -0.350 7.247 1.00 0.38 C ATOM 857 CG ASN A 52 -1.577 -1.158 7.093 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.637 -2.100 6.302 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.605 -0.795 7.850 1.00 0.62 N ATOM 0 H ASN A 52 0.500 -2.497 6.160 1.00 0.42 H new ATOM 0 HA ASN A 52 1.704 -0.534 7.980 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.481 0.473 7.940 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.040 0.093 6.287 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.487 -1.303 7.789 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.513 -0.008 8.492 1.00 0.62 H new ATOM 866 N PHE A 53 -0.485 -1.420 9.784 1.00 0.81 N ATOM 867 CA PHE A 53 -0.914 -2.036 11.032 1.00 0.82 C ATOM 868 C PHE A 53 -1.980 -1.178 11.703 1.00 0.84 C ATOM 869 O PHE A 53 -2.886 -1.694 12.358 1.00 1.20 O ATOM 870 CB PHE A 53 0.277 -2.220 11.974 1.00 0.96 C ATOM 871 CG PHE A 53 0.316 -3.570 12.630 1.00 1.15 C ATOM 872 CD1 PHE A 53 0.169 -4.725 11.880 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.501 -3.683 13.998 1.00 1.68 C ATOM 874 CE1 PHE A 53 0.207 -5.969 12.483 1.00 1.66 C ATOM 875 CE2 PHE A 53 0.539 -4.923 14.606 1.00 2.08 C ATOM 876 CZ PHE A 53 0.383 -6.069 13.844 1.00 1.96 C ATOM 0 H PHE A 53 -0.999 -0.576 9.533 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.337 -3.015 10.807 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.200 -2.070 11.414 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.243 -1.450 12.745 1.00 0.96 H new ATOM 0 HD1 PHE A 53 0.023 -4.653 10.812 1.00 1.32 H new ATOM 0 HD2 PHE A 53 0.617 -2.791 14.596 1.00 1.68 H new ATOM 0 HE1 PHE A 53 0.099 -6.862 11.886 1.00 1.66 H new ATOM 0 HE2 PHE A 53 0.690 -4.999 15.673 1.00 2.08 H new ATOM 0 HZ PHE A 53 0.399 -7.040 14.317 1.00 1.96 H new ATOM 886 N SER A 54 -1.866 0.137 11.531 1.00 0.79 N ATOM 887 CA SER A 54 -2.821 1.069 12.117 1.00 0.89 C ATOM 888 C SER A 54 -3.954 1.367 11.140 1.00 0.95 C ATOM 889 O SER A 54 -3.904 0.971 9.976 1.00 1.89 O ATOM 890 CB SER A 54 -2.120 2.369 12.516 1.00 1.00 C ATOM 891 OG SER A 54 -3.035 3.450 12.557 1.00 1.71 O ATOM 0 H SER A 54 -1.122 0.579 10.991 1.00 0.79 H new ATOM 0 HA SER A 54 -3.244 0.606 13.009 1.00 0.89 H new ATOM 0 HB2 SER A 54 -1.651 2.248 13.493 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.324 2.589 11.805 1.00 1.00 H new ATOM 0 HG SER A 54 -2.563 4.269 12.816 1.00 1.71 H new ATOM 897 N ASN A 55 -4.974 2.065 11.623 1.00 0.75 N ATOM 898 CA ASN A 55 -6.121 2.416 10.794 1.00 0.69 C ATOM 899 C ASN A 55 -5.728 3.413 9.706 1.00 0.66 C ATOM 900 O ASN A 55 -5.532 4.598 9.977 1.00 1.05 O ATOM 901 CB ASN A 55 -7.246 2.995 11.666 1.00 0.84 C ATOM 902 CG ASN A 55 -8.367 3.636 10.860 1.00 1.11 C ATOM 903 OD1 ASN A 55 -9.016 4.575 11.321 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.601 3.134 9.652 1.00 0.83 N ATOM 0 H ASN A 55 -5.031 2.400 12.585 1.00 0.75 H new ATOM 0 HA ASN A 55 -6.480 1.509 10.307 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -7.662 2.200 12.284 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.825 3.738 12.343 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.341 3.528 9.071 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -8.041 2.355 9.306 1.00 0.83 H new ATOM 911 N ILE A 56 -5.623 2.925 8.476 1.00 0.40 N ATOM 912 CA ILE A 56 -5.266 3.776 7.349 1.00 0.33 C ATOM 913 C ILE A 56 -6.517 4.403 6.742 1.00 0.31 C ATOM 914 O ILE A 56 -6.764 4.287 5.542 1.00 0.53 O ATOM 915 CB ILE A 56 -4.511 2.987 6.260 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.355 2.196 6.880 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.004 3.931 5.177 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.456 1.524 5.865 1.00 0.69 C ATOM 0 H ILE A 56 -5.780 1.946 8.234 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.608 4.559 7.727 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.200 2.279 5.799 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.755 2.869 7.493 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.764 1.437 7.547 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.473 3.360 4.416 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.848 4.448 4.720 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.327 4.662 5.619 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.663 0.985 6.382 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -3.041 0.824 5.268 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.016 2.278 5.213 1.00 0.69 H new ATOM 930 N LEU A 57 -7.306 5.068 7.587 1.00 0.44 N ATOM 931 CA LEU A 57 -8.541 5.720 7.150 1.00 0.45 C ATOM 932 C LEU A 57 -8.331 6.484 5.847 1.00 0.42 C ATOM 933 O LEU A 57 -9.041 6.265 4.866 1.00 0.60 O ATOM 934 CB LEU A 57 -9.049 6.672 8.238 1.00 0.48 C ATOM 935 CG LEU A 57 -10.404 7.329 7.953 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.235 8.511 7.010 1.00 1.60 C ATOM 937 CD2 LEU A 57 -11.385 6.318 7.377 1.00 0.72 C ATOM 0 H LEU A 57 -7.110 5.169 8.583 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.286 4.944 6.973 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -9.121 6.121 9.175 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.307 7.457 8.386 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.811 7.696 8.895 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.207 8.966 6.818 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -9.573 9.248 7.465 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -9.804 8.168 6.070 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -12.340 6.807 7.183 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -10.987 5.915 6.445 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -11.532 5.506 8.090 1.00 0.72 H new ATOM 949 N GLU A 58 -7.348 7.375 5.845 1.00 0.39 N ATOM 950 CA GLU A 58 -7.039 8.161 4.666 1.00 0.43 C ATOM 951 C GLU A 58 -6.128 7.371 3.739 1.00 0.51 C ATOM 952 O GLU A 58 -5.457 6.432 4.167 1.00 1.09 O ATOM 953 CB GLU A 58 -6.372 9.484 5.061 1.00 0.44 C ATOM 954 CG GLU A 58 -5.110 9.308 5.892 1.00 0.44 C ATOM 955 CD GLU A 58 -5.029 10.286 7.048 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.098 11.509 6.798 1.00 1.54 O ATOM 957 OE2 GLU A 58 -4.895 9.830 8.204 1.00 1.29 O ATOM 0 H GLU A 58 -6.752 7.569 6.650 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.969 8.386 4.144 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.126 10.041 4.157 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -7.085 10.087 5.623 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -5.074 8.290 6.280 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.237 9.436 5.251 1.00 0.44 H new ATOM 964 N ASN A 59 -6.106 7.750 2.471 1.00 0.31 N ATOM 965 CA ASN A 59 -5.269 7.065 1.494 1.00 0.28 C ATOM 966 C ASN A 59 -3.814 7.537 1.569 1.00 0.28 C ATOM 967 O ASN A 59 -2.978 7.117 0.769 1.00 0.49 O ATOM 968 CB ASN A 59 -5.820 7.263 0.083 1.00 0.32 C ATOM 969 CG ASN A 59 -6.180 8.709 -0.199 1.00 0.86 C ATOM 970 OD1 ASN A 59 -5.556 9.630 0.326 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.195 8.915 -1.032 1.00 0.91 N ATOM 0 H ASN A 59 -6.654 8.523 2.094 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.287 6.002 1.733 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.080 6.927 -0.644 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -6.704 6.639 -0.050 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -7.484 9.867 -1.258 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.685 8.121 -1.445 1.00 0.91 H new ATOM 978 N GLU A 60 -3.508 8.398 2.542 1.00 0.29 N ATOM 979 CA GLU A 60 -2.151 8.897 2.723 1.00 0.29 C ATOM 980 C GLU A 60 -1.470 8.094 3.821 1.00 0.27 C ATOM 981 O GLU A 60 -1.623 8.393 5.005 1.00 0.35 O ATOM 982 CB GLU A 60 -2.172 10.385 3.088 1.00 0.34 C ATOM 983 CG GLU A 60 -0.968 11.155 2.572 1.00 0.49 C ATOM 984 CD GLU A 60 -0.994 12.618 2.969 1.00 1.26 C ATOM 985 OE1 GLU A 60 -1.251 12.907 4.157 1.00 2.05 O ATOM 986 OE2 GLU A 60 -0.758 13.475 2.092 1.00 1.91 O ATOM 0 H GLU A 60 -4.184 8.761 3.214 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.597 8.785 1.791 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -3.080 10.836 2.688 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.218 10.484 4.173 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.057 10.695 2.955 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.932 11.078 1.485 1.00 0.49 H new ATOM 993 N PHE A 61 -0.738 7.057 3.428 1.00 0.24 N ATOM 994 CA PHE A 61 -0.064 6.203 4.398 1.00 0.24 C ATOM 995 C PHE A 61 1.430 6.074 4.108 1.00 0.24 C ATOM 996 O PHE A 61 1.897 6.401 3.018 1.00 0.25 O ATOM 997 CB PHE A 61 -0.717 4.814 4.405 1.00 0.28 C ATOM 998 CG PHE A 61 0.030 3.804 5.224 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.146 3.740 6.596 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.901 2.912 4.620 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.531 2.807 7.350 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.583 1.976 5.370 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.426 1.947 6.741 1.00 0.48 C ATOM 0 H PHE A 61 -0.597 6.789 2.454 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.168 6.668 5.378 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.733 4.901 4.789 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.794 4.453 3.380 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.822 4.429 7.080 1.00 0.41 H new ATOM 0 HD2 PHE A 61 1.048 2.950 3.551 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.363 2.747 8.415 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.238 1.267 4.885 1.00 0.44 H new ATOM 0 HZ PHE A 61 2.001 1.254 7.337 1.00 0.48 H new ATOM 1013 N THR A 62 2.169 5.582 5.103 1.00 0.25 N ATOM 1014 CA THR A 62 3.603 5.392 4.974 1.00 0.27 C ATOM 1015 C THR A 62 4.020 4.020 5.492 1.00 0.29 C ATOM 1016 O THR A 62 3.987 3.761 6.696 1.00 0.35 O ATOM 1017 CB THR A 62 4.364 6.489 5.721 1.00 0.33 C ATOM 1018 OG1 THR A 62 3.832 7.766 5.418 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.843 6.519 5.396 1.00 0.37 C ATOM 0 H THR A 62 1.790 5.308 6.010 1.00 0.25 H new ATOM 0 HA THR A 62 3.853 5.452 3.915 1.00 0.27 H new ATOM 0 HB THR A 62 4.245 6.253 6.778 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.454 8.250 4.835 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.323 7.320 5.959 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.294 5.564 5.666 1.00 0.37 H new ATOM 0 HG23 THR A 62 5.978 6.695 4.329 1.00 0.37 H new ATOM 1027 N VAL A 63 4.411 3.146 4.571 1.00 0.31 N ATOM 1028 CA VAL A 63 4.835 1.797 4.923 1.00 0.36 C ATOM 1029 C VAL A 63 6.139 1.816 5.707 1.00 0.38 C ATOM 1030 O VAL A 63 7.186 2.200 5.188 1.00 0.50 O ATOM 1031 CB VAL A 63 5.009 0.927 3.664 1.00 0.44 C ATOM 1032 CG1 VAL A 63 3.706 0.859 2.880 1.00 0.58 C ATOM 1033 CG2 VAL A 63 6.127 1.471 2.797 1.00 1.08 C ATOM 0 H VAL A 63 4.443 3.349 3.572 1.00 0.31 H new ATOM 0 HA VAL A 63 4.053 1.367 5.549 1.00 0.36 H new ATOM 0 HB VAL A 63 5.275 -0.084 3.974 1.00 0.44 H new ATOM 0 HG11 VAL A 63 3.847 0.240 1.994 1.00 0.58 H new ATOM 0 HG12 VAL A 63 2.927 0.424 3.506 1.00 0.58 H new ATOM 0 HG13 VAL A 63 3.410 1.864 2.578 1.00 0.58 H new ATOM 0 HG21 VAL A 63 6.238 0.845 1.911 1.00 1.08 H new ATOM 0 HG22 VAL A 63 5.889 2.491 2.494 1.00 1.08 H new ATOM 0 HG23 VAL A 63 7.059 1.469 3.362 1.00 1.08 H new ATOM 1043 N SER A 64 6.065 1.399 6.966 1.00 0.49 N ATOM 1044 CA SER A 64 7.238 1.369 7.828 1.00 0.55 C ATOM 1045 C SER A 64 7.562 -0.052 8.268 1.00 0.63 C ATOM 1046 O SER A 64 6.695 -0.778 8.756 1.00 0.99 O ATOM 1047 CB SER A 64 7.016 2.254 9.053 1.00 0.63 C ATOM 1048 OG SER A 64 5.635 2.416 9.324 1.00 1.33 O ATOM 0 H SER A 64 5.205 1.078 7.411 1.00 0.49 H new ATOM 0 HA SER A 64 8.084 1.751 7.256 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.510 1.812 9.918 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.474 3.229 8.888 1.00 0.63 H new ATOM 0 HG SER A 64 5.521 2.985 10.114 1.00 1.33 H new ATOM 1054 N GLY A 65 8.817 -0.440 8.093 1.00 0.71 N ATOM 1055 CA GLY A 65 9.242 -1.773 8.479 1.00 0.78 C ATOM 1056 C GLY A 65 9.821 -2.565 7.322 1.00 0.72 C ATOM 1057 O GLY A 65 10.036 -3.772 7.437 1.00 0.90 O ATOM 0 H GLY A 65 9.550 0.144 7.690 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.988 -1.696 9.270 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.392 -2.314 8.894 1.00 0.78 H new ATOM 1061 N LEU A 66 10.077 -1.891 6.204 1.00 0.64 N ATOM 1062 CA LEU A 66 10.633 -2.549 5.030 1.00 0.65 C ATOM 1063 C LEU A 66 11.994 -3.167 5.355 1.00 0.59 C ATOM 1064 O LEU A 66 12.303 -3.430 6.517 1.00 0.65 O ATOM 1065 CB LEU A 66 10.760 -1.543 3.871 1.00 0.74 C ATOM 1066 CG LEU A 66 9.524 -0.668 3.566 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.260 -1.184 4.249 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.791 0.775 3.963 1.00 0.89 C ATOM 0 H LEU A 66 9.908 -0.892 6.088 1.00 0.64 H new ATOM 0 HA LEU A 66 9.959 -3.350 4.726 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.599 -0.881 4.087 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.015 -2.097 2.967 1.00 0.74 H new ATOM 0 HG LEU A 66 9.349 -0.721 2.491 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.421 -0.533 4.002 1.00 1.47 H new ATOM 0 HD12 LEU A 66 8.048 -2.196 3.905 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.407 -1.192 5.329 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.912 1.381 3.743 1.00 0.89 H new ATOM 0 HD22 LEU A 66 10.008 0.825 5.030 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.644 1.155 3.401 1.00 0.89 H new ATOM 1080 N THR A 67 12.802 -3.397 4.325 1.00 0.65 N ATOM 1081 CA THR A 67 14.126 -3.980 4.500 1.00 0.69 C ATOM 1082 C THR A 67 15.136 -3.267 3.610 1.00 0.72 C ATOM 1083 O THR A 67 14.794 -2.800 2.522 1.00 1.06 O ATOM 1084 CB THR A 67 14.098 -5.473 4.171 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.038 -6.119 4.854 1.00 0.96 O ATOM 1086 CG2 THR A 67 15.382 -6.190 4.532 1.00 0.99 C ATOM 0 H THR A 67 12.561 -3.187 3.356 1.00 0.65 H new ATOM 0 HA THR A 67 14.425 -3.857 5.541 1.00 0.69 H new ATOM 0 HB THR A 67 13.962 -5.527 3.091 1.00 0.75 H new ATOM 0 HG1 THR A 67 12.237 -6.120 4.289 1.00 0.96 H new ATOM 0 HG21 THR A 67 15.295 -7.245 4.273 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.213 -5.748 3.981 1.00 0.99 H new ATOM 0 HG23 THR A 67 15.564 -6.093 5.602 1.00 0.99 H new ATOM 1094 N GLU A 68 16.376 -3.178 4.072 1.00 0.66 N ATOM 1095 CA GLU A 68 17.420 -2.511 3.307 1.00 0.67 C ATOM 1096 C GLU A 68 18.017 -3.441 2.254 1.00 0.60 C ATOM 1097 O GLU A 68 18.198 -4.635 2.493 1.00 0.69 O ATOM 1098 CB GLU A 68 18.519 -2.000 4.238 1.00 0.76 C ATOM 1099 CG GLU A 68 18.804 -0.516 4.077 1.00 0.96 C ATOM 1100 CD GLU A 68 20.286 -0.211 3.980 1.00 1.32 C ATOM 1101 OE1 GLU A 68 21.064 -1.141 3.682 1.00 1.89 O ATOM 1102 OE2 GLU A 68 20.667 0.958 4.200 1.00 1.91 O ATOM 0 H GLU A 68 16.682 -3.557 4.968 1.00 0.66 H new ATOM 0 HA GLU A 68 16.966 -1.664 2.793 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.231 -2.197 5.271 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.434 -2.561 4.050 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.303 -0.149 3.181 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.381 0.025 4.923 1.00 0.96 H new ATOM 1109 N ASP A 69 18.324 -2.880 1.087 1.00 0.52 N ATOM 1110 CA ASP A 69 18.904 -3.649 -0.009 1.00 0.49 C ATOM 1111 C ASP A 69 17.920 -4.688 -0.541 1.00 0.44 C ATOM 1112 O ASP A 69 18.193 -5.887 -0.516 1.00 0.54 O ATOM 1113 CB ASP A 69 20.194 -4.333 0.450 1.00 0.59 C ATOM 1114 CG ASP A 69 21.055 -4.781 -0.714 1.00 1.06 C ATOM 1115 OD1 ASP A 69 20.488 -5.162 -1.760 1.00 1.66 O ATOM 1116 OD2 ASP A 69 22.297 -4.751 -0.580 1.00 1.87 O ATOM 0 H ASP A 69 18.180 -1.892 0.876 1.00 0.52 H new ATOM 0 HA ASP A 69 19.134 -2.957 -0.819 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.763 -3.646 1.077 1.00 0.59 H new ATOM 0 HB3 ASP A 69 19.945 -5.196 1.068 1.00 0.59 H new ATOM 1121 N ALA A 70 16.776 -4.215 -1.023 1.00 0.40 N ATOM 1122 CA ALA A 70 15.748 -5.092 -1.567 1.00 0.40 C ATOM 1123 C ALA A 70 14.561 -4.287 -2.077 1.00 0.35 C ATOM 1124 O ALA A 70 14.023 -3.441 -1.363 1.00 0.36 O ATOM 1125 CB ALA A 70 15.289 -6.085 -0.516 1.00 0.49 C ATOM 0 H ALA A 70 16.537 -3.224 -1.048 1.00 0.40 H new ATOM 0 HA ALA A 70 16.180 -5.638 -2.406 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.521 -6.733 -0.938 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.136 -6.690 -0.192 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.880 -5.547 0.339 1.00 0.49 H new ATOM 1131 N ALA A 71 14.151 -4.552 -3.312 1.00 0.33 N ATOM 1132 CA ALA A 71 13.022 -3.846 -3.897 1.00 0.30 C ATOM 1133 C ALA A 71 11.770 -4.071 -3.069 1.00 0.27 C ATOM 1134 O ALA A 71 11.565 -5.148 -2.521 1.00 0.36 O ATOM 1135 CB ALA A 71 12.805 -4.284 -5.336 1.00 0.34 C ATOM 0 H ALA A 71 14.581 -5.246 -3.923 1.00 0.33 H new ATOM 0 HA ALA A 71 13.244 -2.779 -3.898 1.00 0.30 H new ATOM 0 HB1 ALA A 71 11.956 -3.745 -5.756 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.699 -4.067 -5.921 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.604 -5.355 -5.364 1.00 0.34 H new ATOM 1141 N TYR A 72 10.940 -3.044 -2.962 1.00 0.24 N ATOM 1142 CA TYR A 72 9.720 -3.138 -2.179 1.00 0.24 C ATOM 1143 C TYR A 72 8.492 -2.673 -2.953 1.00 0.21 C ATOM 1144 O TYR A 72 8.363 -1.495 -3.287 1.00 0.23 O ATOM 1145 CB TYR A 72 9.857 -2.304 -0.911 1.00 0.30 C ATOM 1146 CG TYR A 72 10.159 -3.121 0.315 1.00 0.31 C ATOM 1147 CD1 TYR A 72 11.385 -3.751 0.467 1.00 0.36 C ATOM 1148 CD2 TYR A 72 9.215 -3.263 1.319 1.00 0.49 C ATOM 1149 CE1 TYR A 72 11.661 -4.502 1.594 1.00 0.42 C ATOM 1150 CE2 TYR A 72 9.479 -4.009 2.447 1.00 0.56 C ATOM 1151 CZ TYR A 72 10.705 -4.628 2.581 1.00 0.46 C ATOM 1152 OH TYR A 72 10.976 -5.375 3.705 1.00 0.56 O ATOM 0 H TYR A 72 11.090 -2.138 -3.407 1.00 0.24 H new ATOM 0 HA TYR A 72 9.578 -4.190 -1.933 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.650 -1.569 -1.053 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.933 -1.749 -0.749 1.00 0.30 H new ATOM 0 HD1 TYR A 72 12.134 -3.654 -0.305 1.00 0.36 H new ATOM 0 HD2 TYR A 72 8.255 -2.780 1.216 1.00 0.49 H new ATOM 0 HE1 TYR A 72 12.620 -4.988 1.702 1.00 0.42 H new ATOM 0 HE2 TYR A 72 8.732 -4.109 3.221 1.00 0.56 H new ATOM 0 HH TYR A 72 10.180 -5.890 3.955 1.00 0.56 H new ATOM 1162 N GLU A 73 7.583 -3.603 -3.206 1.00 0.21 N ATOM 1163 CA GLU A 73 6.345 -3.296 -3.910 1.00 0.21 C ATOM 1164 C GLU A 73 5.213 -3.186 -2.898 1.00 0.23 C ATOM 1165 O GLU A 73 5.169 -3.957 -1.936 1.00 0.32 O ATOM 1166 CB GLU A 73 6.035 -4.383 -4.939 1.00 0.25 C ATOM 1167 CG GLU A 73 5.215 -3.895 -6.120 1.00 0.65 C ATOM 1168 CD GLU A 73 6.073 -3.344 -7.241 1.00 0.68 C ATOM 1169 OE1 GLU A 73 7.304 -3.556 -7.205 1.00 1.32 O ATOM 1170 OE2 GLU A 73 5.515 -2.704 -8.156 1.00 1.50 O ATOM 0 H GLU A 73 7.680 -4.581 -2.933 1.00 0.21 H new ATOM 0 HA GLU A 73 6.453 -2.349 -4.439 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.973 -4.799 -5.307 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.498 -5.194 -4.446 1.00 0.25 H new ATOM 0 HG2 GLU A 73 4.610 -4.718 -6.502 1.00 0.65 H new ATOM 0 HG3 GLU A 73 4.525 -3.122 -5.783 1.00 0.65 H new ATOM 1177 N PHE A 74 4.309 -2.229 -3.087 1.00 0.22 N ATOM 1178 CA PHE A 74 3.207 -2.068 -2.123 1.00 0.28 C ATOM 1179 C PHE A 74 1.816 -2.142 -2.761 1.00 0.25 C ATOM 1180 O PHE A 74 1.404 -1.236 -3.481 1.00 0.30 O ATOM 1181 CB PHE A 74 3.348 -0.750 -1.357 1.00 0.39 C ATOM 1182 CG PHE A 74 4.759 -0.416 -0.965 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.365 -1.043 0.114 1.00 0.42 C ATOM 1184 CD2 PHE A 74 5.477 0.534 -1.673 1.00 0.52 C ATOM 1185 CE1 PHE A 74 6.664 -0.727 0.474 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.772 0.851 -1.317 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.366 0.221 -0.244 1.00 0.53 C ATOM 0 H PHE A 74 4.308 -1.571 -3.867 1.00 0.22 H new ATOM 0 HA PHE A 74 3.288 -2.912 -1.438 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.952 0.059 -1.971 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.734 -0.797 -0.458 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.819 -1.784 0.678 1.00 0.42 H new ATOM 0 HD2 PHE A 74 5.018 1.033 -2.514 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.128 -1.221 1.315 1.00 0.49 H new ATOM 0 HE2 PHE A 74 7.320 1.593 -1.879 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.380 0.469 0.035 1.00 0.53 H new ATOM 1197 N ARG A 75 1.095 -3.229 -2.455 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.269 -3.453 -2.960 1.00 0.34 C ATOM 1199 C ARG A 75 -1.289 -2.861 -1.988 1.00 0.31 C ATOM 1200 O ARG A 75 -0.969 -2.644 -0.824 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.520 -4.959 -3.118 1.00 0.46 C ATOM 1202 CG ARG A 75 -1.512 -5.317 -4.213 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.709 -6.826 -4.323 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.918 -7.416 -5.404 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.246 -8.537 -6.045 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.347 -9.201 -5.723 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.465 -8.995 -7.015 1.00 1.87 N ATOM 0 H ARG A 75 1.438 -3.977 -1.852 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.375 -2.965 -3.929 1.00 0.34 H new ATOM 0 HB2 ARG A 75 0.429 -5.453 -3.328 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.884 -5.356 -2.170 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -2.470 -4.839 -4.007 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -1.159 -4.925 -5.167 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.434 -7.295 -3.378 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.765 -7.040 -4.490 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.061 -6.939 -5.684 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.952 -8.855 -4.978 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.589 -10.058 -6.220 1.00 2.11 H new ATOM 0 HH21 ARG A 75 0.384 -8.489 -7.268 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -0.713 -9.853 -7.508 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.517 -2.597 -2.443 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.520 -2.033 -1.530 1.00 0.39 C ATOM 1223 C VAL A 76 -4.858 -2.770 -1.563 1.00 0.31 C ATOM 1224 O VAL A 76 -5.532 -2.837 -2.590 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.784 -0.525 -1.771 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -4.776 0.021 -0.751 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.498 0.278 -1.703 1.00 0.54 C ATOM 0 H VAL A 76 -2.835 -2.756 -3.399 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.072 -2.165 -0.545 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.206 -0.426 -2.771 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -4.946 1.081 -0.940 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.719 -0.518 -0.836 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.373 -0.109 0.254 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -2.717 1.332 -1.876 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.046 0.159 -0.718 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -1.806 -0.079 -2.466 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.237 -3.283 -0.396 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.489 -3.982 -0.197 1.00 0.31 C ATOM 1239 C ILE A 77 -7.225 -3.253 0.923 1.00 0.30 C ATOM 1240 O ILE A 77 -6.581 -2.622 1.759 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.251 -5.456 0.199 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.751 -6.262 -0.997 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.512 -6.080 0.766 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.088 -7.559 -0.601 1.00 0.42 C ATOM 0 H ILE A 77 -4.668 -3.220 0.448 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.069 -3.989 -1.120 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.485 -5.473 0.974 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.590 -6.477 -1.659 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -5.044 -5.658 -1.565 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.315 -7.117 1.036 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.825 -5.528 1.652 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.304 -6.044 0.018 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.755 -8.085 -1.496 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.230 -7.349 0.037 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.800 -8.181 -0.058 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.549 -3.311 0.963 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.245 -2.598 2.034 1.00 0.30 C ATOM 1258 C ALA A 78 -10.737 -2.863 2.081 1.00 0.34 C ATOM 1259 O ALA A 78 -11.453 -2.607 1.121 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.003 -1.105 1.888 1.00 0.39 C ATOM 0 H ALA A 78 -9.142 -3.816 0.304 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.835 -2.975 2.971 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.521 -0.573 2.686 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -7.934 -0.902 1.951 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.380 -0.768 0.922 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.212 -3.338 3.224 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.633 -3.580 3.384 1.00 0.43 C ATOM 1268 C LYS A 79 -13.344 -2.241 3.388 1.00 0.59 C ATOM 1269 O LYS A 79 -12.723 -1.212 3.654 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.942 -4.319 4.686 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.352 -5.714 4.779 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.262 -6.638 5.575 1.00 1.50 C ATOM 1273 CE LYS A 79 -13.101 -8.088 5.146 1.00 1.71 C ATOM 1274 NZ LYS A 79 -13.479 -9.033 6.232 1.00 1.98 N ATOM 0 H LYS A 79 -10.642 -3.560 4.041 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.975 -4.207 2.561 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.570 -3.726 5.522 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -14.024 -4.388 4.800 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -12.204 -6.118 3.777 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.371 -5.667 5.252 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -13.036 -6.545 6.637 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -14.299 -6.331 5.441 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -13.719 -8.278 4.268 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -12.067 -8.267 4.852 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -13.355 -10.011 5.900 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -12.873 -8.870 7.061 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -14.474 -8.880 6.495 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.631 -2.233 3.095 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.359 -0.981 3.080 1.00 0.70 C ATOM 1290 C ASN A 80 -16.155 -0.772 4.367 1.00 0.87 C ATOM 1291 O ASN A 80 -15.642 -0.208 5.334 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.270 -0.888 1.867 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.512 -0.744 0.566 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -15.634 0.267 -0.125 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -14.723 -1.748 0.223 1.00 2.05 N ATOM 0 H ASN A 80 -15.183 -3.060 2.869 1.00 0.65 H new ATOM 0 HA ASN A 80 -14.619 -0.183 3.014 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -16.895 -1.780 1.820 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.939 -0.036 1.987 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -14.187 -1.702 -0.643 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -14.651 -2.568 0.825 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.409 -1.213 4.376 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.256 -1.048 5.550 1.00 0.82 C ATOM 1304 C ALA A 81 -19.010 -2.329 5.905 1.00 0.88 C ATOM 1305 O ALA A 81 -19.119 -2.686 7.078 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.238 0.091 5.320 1.00 0.83 C ATOM 0 H ALA A 81 -17.858 -1.684 3.590 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.607 -0.812 6.393 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -19.869 0.211 6.201 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.688 1.015 5.140 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.861 -0.135 4.455 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.543 -3.010 4.896 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.299 -4.239 5.121 1.00 0.90 C ATOM 1314 C ALA A 82 -19.435 -5.487 4.969 1.00 0.88 C ATOM 1315 O ALA A 82 -19.876 -6.491 4.409 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.484 -4.305 4.170 1.00 0.94 C ATOM 0 H ALA A 82 -19.466 -2.734 3.917 1.00 0.81 H new ATOM 0 HA ALA A 82 -20.656 -4.216 6.151 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -22.041 -5.225 4.346 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -22.136 -3.448 4.341 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -21.126 -4.289 3.141 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.205 -5.428 5.472 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.316 -6.571 5.377 1.00 0.86 C ATOM 1324 C GLY A 83 -16.923 -6.906 3.949 1.00 0.78 C ATOM 1325 O GLY A 83 -16.300 -7.939 3.703 1.00 0.93 O ATOM 0 H GLY A 83 -17.810 -4.613 5.941 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.415 -6.372 5.958 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.800 -7.438 5.827 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.276 -6.036 3.005 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.941 -6.258 1.606 1.00 0.78 C ATOM 1331 C ALA A 84 -15.478 -5.913 1.361 1.00 0.76 C ATOM 1332 O ALA A 84 -15.137 -4.760 1.100 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.849 -5.431 0.707 1.00 0.92 C ATOM 0 H ALA A 84 -17.792 -5.175 3.185 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.094 -7.310 1.367 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.587 -5.607 -0.336 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.887 -5.719 0.874 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.725 -4.373 0.939 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.615 -6.916 1.465 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.188 -6.711 1.270 1.00 0.40 C ATOM 1341 C ILE A 85 -12.861 -6.245 -0.135 1.00 0.38 C ATOM 1342 O ILE A 85 -12.917 -7.024 -1.087 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.381 -7.990 1.558 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.880 -7.703 1.440 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.792 -9.100 0.600 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.115 -7.966 2.718 1.00 0.79 C ATOM 0 H ILE A 85 -14.879 -7.877 1.683 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.906 -5.933 1.979 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.592 -8.319 2.575 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.462 -8.317 0.642 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.739 -6.662 1.148 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.214 -9.999 0.815 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.854 -9.313 0.724 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.603 -8.784 -0.426 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.060 -7.742 2.563 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.507 -7.333 3.514 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.226 -9.013 3.000 1.00 0.79 H new ATOM 1358 N SER A 86 -12.497 -4.974 -0.261 1.00 0.39 N ATOM 1359 CA SER A 86 -12.139 -4.433 -1.564 1.00 0.45 C ATOM 1360 C SER A 86 -10.907 -5.165 -2.084 1.00 0.44 C ATOM 1361 O SER A 86 -9.862 -5.167 -1.419 1.00 0.43 O ATOM 1362 CB SER A 86 -11.852 -2.934 -1.484 1.00 0.54 C ATOM 1363 OG SER A 86 -10.509 -2.689 -1.100 1.00 0.59 O ATOM 0 H SER A 86 -12.443 -4.309 0.511 1.00 0.39 H new ATOM 0 HA SER A 86 -12.979 -4.577 -2.243 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.046 -2.472 -2.452 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.529 -2.469 -0.767 1.00 0.54 H new ATOM 0 HG SER A 86 -10.495 -2.108 -0.311 1.00 0.59 H new ATOM 1369 N PRO A 87 -11.006 -5.800 -3.270 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.897 -6.543 -3.862 1.00 0.61 C ATOM 1371 C PRO A 87 -8.581 -5.780 -3.799 1.00 0.54 C ATOM 1372 O PRO A 87 -8.541 -4.622 -3.381 1.00 0.63 O ATOM 1373 CB PRO A 87 -10.327 -6.773 -5.319 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.612 -6.030 -5.497 1.00 0.74 C ATOM 1375 CD PRO A 87 -12.197 -5.854 -4.126 1.00 0.59 C ATOM 0 HA PRO A 87 -9.708 -7.470 -3.321 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.568 -6.409 -6.011 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -10.460 -7.836 -5.522 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.439 -5.064 -5.972 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -12.294 -6.584 -6.142 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.790 -4.942 -4.053 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.852 -6.682 -3.856 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.479 -6.426 -4.208 1.00 0.55 N ATOM 1384 CA PRO A 88 -6.152 -5.817 -4.190 1.00 0.56 C ATOM 1385 C PRO A 88 -5.967 -4.772 -5.281 1.00 0.48 C ATOM 1386 O PRO A 88 -6.636 -4.806 -6.313 1.00 0.68 O ATOM 1387 CB PRO A 88 -5.195 -6.997 -4.413 1.00 0.69 C ATOM 1388 CG PRO A 88 -6.039 -8.233 -4.374 1.00 0.76 C ATOM 1389 CD PRO A 88 -7.435 -7.805 -4.712 1.00 0.72 C ATOM 0 HA PRO A 88 -5.977 -5.284 -3.256 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.682 -6.906 -5.370 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.426 -7.026 -3.641 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.677 -8.973 -5.087 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -6.003 -8.696 -3.388 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.624 -7.851 -5.784 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -8.181 -8.437 -4.229 1.00 0.72 H new ATOM 1397 N SER A 89 -5.045 -3.845 -5.039 1.00 0.43 N ATOM 1398 CA SER A 89 -4.754 -2.784 -5.991 1.00 0.42 C ATOM 1399 C SER A 89 -3.315 -2.891 -6.478 1.00 0.35 C ATOM 1400 O SER A 89 -2.399 -3.104 -5.676 1.00 0.51 O ATOM 1401 CB SER A 89 -4.989 -1.416 -5.352 1.00 0.56 C ATOM 1402 OG SER A 89 -6.192 -0.832 -5.821 1.00 1.28 O ATOM 0 H SER A 89 -4.485 -3.809 -4.187 1.00 0.43 H new ATOM 0 HA SER A 89 -5.424 -2.892 -6.844 1.00 0.42 H new ATOM 0 HB2 SER A 89 -5.031 -1.520 -4.268 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.150 -0.758 -5.577 1.00 0.56 H new ATOM 0 HG SER A 89 -6.402 -0.040 -5.284 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.136 -2.743 -7.799 1.00 0.38 N ATOM 1409 CA GLU A 90 -1.817 -2.822 -8.441 1.00 0.37 C ATOM 1410 C GLU A 90 -0.718 -2.240 -7.555 1.00 0.34 C ATOM 1411 O GLU A 90 -0.674 -1.037 -7.329 1.00 0.44 O ATOM 1412 CB GLU A 90 -1.841 -2.082 -9.778 1.00 0.49 C ATOM 1413 CG GLU A 90 -0.537 -2.179 -10.552 1.00 0.90 C ATOM 1414 CD GLU A 90 -0.751 -2.565 -12.002 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -1.116 -3.732 -12.257 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -0.553 -1.702 -12.883 1.00 1.77 O ATOM 0 H GLU A 90 -3.900 -2.566 -8.451 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.595 -3.876 -8.604 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.648 -2.483 -10.391 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -2.069 -1.032 -9.598 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -0.019 -1.221 -10.507 1.00 0.90 H new ATOM 0 HG3 GLU A 90 0.111 -2.914 -10.075 1.00 0.90 H new ATOM 1423 N PRO A 91 0.182 -3.089 -7.034 1.00 0.30 N ATOM 1424 CA PRO A 91 1.275 -2.651 -6.160 1.00 0.29 C ATOM 1425 C PRO A 91 2.098 -1.497 -6.713 1.00 0.31 C ATOM 1426 O PRO A 91 2.333 -1.406 -7.918 1.00 0.55 O ATOM 1427 CB PRO A 91 2.153 -3.891 -6.051 1.00 0.36 C ATOM 1428 CG PRO A 91 1.221 -5.027 -6.246 1.00 0.36 C ATOM 1429 CD PRO A 91 0.203 -4.550 -7.244 1.00 0.39 C ATOM 0 HA PRO A 91 0.880 -2.275 -5.216 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.938 -3.888 -6.807 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.645 -3.944 -5.080 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.748 -5.907 -6.614 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.746 -5.310 -5.307 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.489 -4.806 -8.264 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.775 -4.996 -7.066 1.00 0.39 H new ATOM 1437 N SER A 92 2.560 -0.629 -5.813 1.00 0.27 N ATOM 1438 CA SER A 92 3.387 0.500 -6.208 1.00 0.31 C ATOM 1439 C SER A 92 4.768 -0.013 -6.563 1.00 0.27 C ATOM 1440 O SER A 92 5.212 -1.025 -6.006 1.00 0.24 O ATOM 1441 CB SER A 92 3.502 1.538 -5.086 1.00 0.39 C ATOM 1442 OG SER A 92 2.875 1.094 -3.900 1.00 1.23 O ATOM 0 H SER A 92 2.374 -0.689 -4.812 1.00 0.27 H new ATOM 0 HA SER A 92 2.922 0.987 -7.065 1.00 0.31 H new ATOM 0 HB2 SER A 92 4.554 1.744 -4.887 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.049 2.475 -5.409 1.00 0.39 H new ATOM 0 HG SER A 92 3.036 1.742 -3.182 1.00 1.23 H new ATOM 1448 N ASP A 93 5.433 0.685 -7.489 1.00 0.33 N ATOM 1449 CA ASP A 93 6.776 0.319 -7.950 1.00 0.36 C ATOM 1450 C ASP A 93 7.619 -0.289 -6.835 1.00 0.32 C ATOM 1451 O ASP A 93 7.382 -0.043 -5.653 1.00 0.56 O ATOM 1452 CB ASP A 93 7.485 1.541 -8.531 1.00 0.45 C ATOM 1453 CG ASP A 93 7.246 1.696 -10.020 1.00 0.89 C ATOM 1454 OD1 ASP A 93 6.075 1.610 -10.447 1.00 1.55 O ATOM 1455 OD2 ASP A 93 8.230 1.902 -10.762 1.00 1.63 O ATOM 0 H ASP A 93 5.056 1.519 -7.940 1.00 0.33 H new ATOM 0 HA ASP A 93 6.658 -0.439 -8.725 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.139 2.437 -8.015 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.556 1.459 -8.345 1.00 0.45 H new ATOM 1460 N ALA A 94 8.596 -1.093 -7.221 1.00 0.33 N ATOM 1461 CA ALA A 94 9.464 -1.746 -6.257 1.00 0.28 C ATOM 1462 C ALA A 94 10.682 -0.891 -5.919 1.00 0.29 C ATOM 1463 O ALA A 94 11.569 -0.697 -6.750 1.00 0.41 O ATOM 1464 CB ALA A 94 9.905 -3.099 -6.788 1.00 0.34 C ATOM 0 H ALA A 94 8.807 -1.309 -8.195 1.00 0.33 H new ATOM 0 HA ALA A 94 8.894 -1.884 -5.338 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.556 -3.582 -6.059 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.029 -3.724 -6.963 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.447 -2.963 -7.724 1.00 0.34 H new ATOM 1470 N ILE A 95 10.716 -0.389 -4.691 1.00 0.25 N ATOM 1471 CA ILE A 95 11.820 0.440 -4.229 1.00 0.28 C ATOM 1472 C ILE A 95 12.940 -0.413 -3.637 1.00 0.26 C ATOM 1473 O ILE A 95 12.767 -1.027 -2.584 1.00 0.25 O ATOM 1474 CB ILE A 95 11.331 1.449 -3.170 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.274 2.363 -3.785 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.494 2.266 -2.616 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.874 1.800 -3.713 1.00 0.44 C ATOM 0 H ILE A 95 9.987 -0.543 -3.994 1.00 0.25 H new ATOM 0 HA ILE A 95 12.210 0.980 -5.092 1.00 0.28 H new ATOM 0 HB ILE A 95 10.888 0.900 -2.339 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.296 3.326 -3.275 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.529 2.549 -4.828 1.00 0.41 H new ATOM 0 HG21 ILE A 95 12.122 2.970 -1.871 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.220 1.598 -2.153 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.972 2.815 -3.427 1.00 0.41 H new ATOM 0 HD11 ILE A 95 8.176 2.502 -4.168 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.835 0.851 -4.248 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.599 1.640 -2.670 1.00 0.44 H new ATOM 1489 N THR A 96 14.093 -0.446 -4.314 1.00 0.29 N ATOM 1490 CA THR A 96 15.243 -1.224 -3.843 1.00 0.32 C ATOM 1491 C THR A 96 15.431 -1.059 -2.342 1.00 0.32 C ATOM 1492 O THR A 96 15.915 -1.959 -1.663 1.00 0.38 O ATOM 1493 CB THR A 96 16.520 -0.802 -4.566 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.383 -0.968 -5.965 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.740 -1.589 -4.125 1.00 0.43 C ATOM 0 H THR A 96 14.254 0.056 -5.187 1.00 0.29 H new ATOM 0 HA THR A 96 15.042 -2.273 -4.063 1.00 0.32 H new ATOM 0 HB THR A 96 16.668 0.247 -4.308 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.211 -0.691 -6.410 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.615 -1.242 -4.675 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.901 -1.442 -3.057 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.582 -2.649 -4.326 1.00 0.43 H new ATOM 1503 N CYS A 97 15.040 0.100 -1.827 1.00 0.32 N ATOM 1504 CA CYS A 97 15.163 0.370 -0.405 1.00 0.36 C ATOM 1505 C CYS A 97 16.579 0.071 0.073 1.00 0.43 C ATOM 1506 O CYS A 97 16.806 -0.881 0.813 1.00 0.64 O ATOM 1507 CB CYS A 97 14.145 -0.479 0.367 1.00 0.38 C ATOM 1508 SG CYS A 97 12.422 -0.020 0.071 1.00 1.10 S ATOM 0 H CYS A 97 14.637 0.863 -2.372 1.00 0.32 H new ATOM 0 HA CYS A 97 14.959 1.425 -0.222 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.282 -1.526 0.096 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.354 -0.396 1.434 1.00 0.38 H new ATOM 0 HG CYS A 97 12.070 -0.400 -1.122 1.00 1.10 H new ATOM 1514 N ARG A 98 17.527 0.890 -0.364 1.00 0.53 N ATOM 1515 CA ARG A 98 18.926 0.715 0.010 1.00 0.63 C ATOM 1516 C ARG A 98 19.392 1.852 0.914 1.00 0.80 C ATOM 1517 O ARG A 98 19.323 1.753 2.139 1.00 1.04 O ATOM 1518 CB ARG A 98 19.808 0.625 -1.244 1.00 0.68 C ATOM 1519 CG ARG A 98 19.276 1.412 -2.437 1.00 0.74 C ATOM 1520 CD ARG A 98 20.402 1.901 -3.330 1.00 0.92 C ATOM 1521 NE ARG A 98 21.168 0.793 -3.893 1.00 1.64 N ATOM 1522 CZ ARG A 98 20.808 0.125 -4.985 1.00 2.31 C ATOM 1523 NH1 ARG A 98 19.701 0.454 -5.637 1.00 3.00 N ATOM 1524 NH2 ARG A 98 21.559 -0.875 -5.428 1.00 2.68 N ATOM 0 H ARG A 98 17.353 1.684 -0.980 1.00 0.53 H new ATOM 0 HA ARG A 98 19.018 -0.218 0.566 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.807 0.987 -1.000 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.910 -0.422 -1.529 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.599 0.784 -3.015 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.696 2.264 -2.082 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.989 2.505 -4.138 1.00 0.92 H new ATOM 0 HD3 ARG A 98 21.066 2.548 -2.756 1.00 0.92 H new ATOM 0 HE ARG A 98 22.029 0.515 -3.422 1.00 1.64 H new ATOM 0 HH11 ARG A 98 19.121 1.223 -5.301 1.00 3.00 H new ATOM 0 HH12 ARG A 98 19.430 -0.062 -6.474 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.412 -1.131 -4.931 1.00 2.68 H new ATOM 0 HH22 ARG A 98 21.283 -1.388 -6.266 1.00 2.68 H new ATOM 1538 N ASP A 99 19.856 2.930 0.302 1.00 0.92 N ATOM 1539 CA ASP A 99 20.324 4.094 1.042 1.00 1.20 C ATOM 1540 C ASP A 99 19.567 5.353 0.614 1.00 1.03 C ATOM 1541 O ASP A 99 19.826 6.442 1.124 1.00 1.20 O ATOM 1542 CB ASP A 99 21.825 4.291 0.821 1.00 1.61 C ATOM 1543 CG ASP A 99 22.137 4.925 -0.520 1.00 1.71 C ATOM 1544 OD1 ASP A 99 21.413 5.863 -0.915 1.00 2.08 O ATOM 1545 OD2 ASP A 99 23.102 4.482 -1.176 1.00 2.14 O ATOM 0 H ASP A 99 19.919 3.024 -0.712 1.00 0.92 H new ATOM 0 HA ASP A 99 20.136 3.921 2.102 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.227 4.917 1.617 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.328 3.327 0.889 1.00 1.61 H new ATOM 1550 N ASP A 100 18.630 5.199 -0.327 1.00 0.85 N ATOM 1551 CA ASP A 100 17.841 6.322 -0.822 1.00 0.92 C ATOM 1552 C ASP A 100 18.713 7.539 -1.114 1.00 1.22 C ATOM 1553 O ASP A 100 18.243 8.676 -1.062 1.00 1.38 O ATOM 1554 CB ASP A 100 16.750 6.687 0.185 1.00 0.87 C ATOM 1555 CG ASP A 100 15.561 7.357 -0.474 1.00 1.32 C ATOM 1556 OD1 ASP A 100 15.470 7.314 -1.719 1.00 2.03 O ATOM 1557 OD2 ASP A 100 14.721 7.926 0.256 1.00 2.06 O ATOM 0 H ASP A 100 18.402 4.304 -0.759 1.00 0.85 H new ATOM 0 HA ASP A 100 17.378 6.012 -1.759 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.417 5.786 0.700 1.00 0.87 H new ATOM 0 HB3 ASP A 100 17.165 7.352 0.942 1.00 0.87 H new ATOM 1562 N VAL A 101 19.979 7.296 -1.426 1.00 1.43 N ATOM 1563 CA VAL A 101 20.905 8.378 -1.731 1.00 1.90 C ATOM 1564 C VAL A 101 22.031 7.910 -2.652 1.00 2.23 C ATOM 1565 O VAL A 101 23.080 8.547 -2.732 1.00 2.80 O ATOM 1566 CB VAL A 101 21.515 8.973 -0.447 1.00 2.20 C ATOM 1567 CG1 VAL A 101 22.428 7.963 0.234 1.00 2.22 C ATOM 1568 CG2 VAL A 101 22.268 10.259 -0.754 1.00 2.67 C ATOM 0 H VAL A 101 20.387 6.362 -1.474 1.00 1.43 H new ATOM 0 HA VAL A 101 20.328 9.148 -2.242 1.00 1.90 H new ATOM 0 HB VAL A 101 20.701 9.211 0.238 1.00 2.20 H new ATOM 0 HG11 VAL A 101 22.848 8.404 1.138 1.00 2.22 H new ATOM 0 HG12 VAL A 101 21.855 7.074 0.496 1.00 2.22 H new ATOM 0 HG13 VAL A 101 23.236 7.687 -0.444 1.00 2.22 H new ATOM 0 HG21 VAL A 101 22.690 10.662 0.167 1.00 2.67 H new ATOM 0 HG22 VAL A 101 23.071 10.051 -1.461 1.00 2.67 H new ATOM 0 HG23 VAL A 101 21.583 10.987 -1.188 1.00 2.67 H new ATOM 1578 N GLU A 102 21.810 6.794 -3.344 1.00 1.99 N ATOM 1579 CA GLU A 102 22.819 6.255 -4.251 1.00 2.40 C ATOM 1580 C GLU A 102 22.193 5.600 -5.485 1.00 2.00 C ATOM 1581 O GLU A 102 22.878 4.908 -6.237 1.00 2.49 O ATOM 1582 CB GLU A 102 23.690 5.239 -3.516 1.00 3.22 C ATOM 1583 CG GLU A 102 22.899 4.102 -2.893 1.00 3.87 C ATOM 1584 CD GLU A 102 21.417 4.181 -3.204 1.00 4.18 C ATOM 1585 OE1 GLU A 102 21.069 4.417 -4.379 1.00 4.58 O ATOM 1586 OE2 GLU A 102 20.604 4.008 -2.270 1.00 4.47 O ATOM 0 H GLU A 102 20.949 6.250 -3.295 1.00 1.99 H new ATOM 0 HA GLU A 102 23.430 7.090 -4.593 1.00 2.40 H new ATOM 0 HB2 GLU A 102 24.419 4.825 -4.213 1.00 3.22 H new ATOM 0 HB3 GLU A 102 24.252 5.751 -2.735 1.00 3.22 H new ATOM 0 HG2 GLU A 102 23.292 3.151 -3.254 1.00 3.87 H new ATOM 0 HG3 GLU A 102 23.041 4.116 -1.812 1.00 3.87 H new ATOM 1593 N ALA A 103 20.898 5.819 -5.694 1.00 1.84 N ATOM 1594 CA ALA A 103 20.208 5.243 -6.840 1.00 2.56 C ATOM 1595 C ALA A 103 20.867 5.667 -8.147 1.00 3.21 C ATOM 1596 O ALA A 103 21.121 6.879 -8.315 1.00 3.72 O ATOM 1597 CB ALA A 103 18.740 5.646 -6.831 1.00 3.26 C ATOM 1598 OXT ALA A 103 21.126 4.785 -8.993 1.00 3.79 O ATOM 0 H ALA A 103 20.309 6.389 -5.087 1.00 1.84 H new ATOM 0 HA ALA A 103 20.275 4.158 -6.765 1.00 2.56 H new ATOM 0 HB1 ALA A 103 18.237 5.208 -7.693 1.00 3.26 H new ATOM 0 HB2 ALA A 103 18.270 5.287 -5.916 1.00 3.26 H new ATOM 0 HB3 ALA A 103 18.661 6.732 -6.878 1.00 3.26 H new TER 1604 ALA A 103