USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 724 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 115 TYR OH : rot -7:sc= 0.662 USER MOD Set 1.2: A 116 ASN : amide:sc= -1.49 K(o=-8.9,f=-13!) USER MOD Set 1.3: A 119 HIS : no HE2:sc= -8.07! K(o=-8.9!,f=-8) USER MOD Set 2.1: A 5 TYR OH : rot 29:sc= -0.526! USER MOD Set 2.2: A 57 TYR OH : rot 180:sc= -0.0635 USER MOD Set 3.1: A 7 ASN : amide:sc= -5.94! C(o=-6.6!,f=-6.7!) USER MOD Set 3.2: A 10 THR OG1 : rot -170:sc= -0.633 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 165:sc= -0.703 USER MOD Single : A 14 GLN : amide:sc= -0.0465 K(o=-0.046,f=-2!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 39:sc= 0.38 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 138:sc= -3.68! (180deg=-8.22!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.38) USER MOD Single : A 73 SER OG : rot -53:sc= 0.535 USER MOD Single : A 76 LYS NZ :NH3+ -164:sc= -0.434 (180deg=-0.791) USER MOD Single : A 82 MET CE :methyl -117:sc= -0.376 (180deg=-3.45!) USER MOD Single : A 89 SER OG : rot 37:sc= 0.633 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00753 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.689 6.563 30.769 1.00 3.92 N ATOM 2 CA PRO A 1 2.843 6.911 29.595 1.00 3.44 C ATOM 3 C PRO A 1 1.929 8.092 29.933 1.00 3.50 C ATOM 4 O PRO A 1 0.829 7.918 30.417 1.00 4.94 O ATOM 5 CB PRO A 1 2.025 5.649 29.346 1.00 2.00 C ATOM 6 CG PRO A 1 1.979 4.955 30.667 1.00 4.99 C ATOM 7 CD PRO A 1 3.249 5.313 31.396 1.00 3.38 C ATOM 0 H2 PRO A 1 3.652 7.319 31.452 1.00 3.92 H new ATOM 0 H3 PRO A 1 4.662 6.474 30.475 1.00 3.92 H new ATOM 0 HA PRO A 1 3.425 7.210 28.723 1.00 3.44 H new ATOM 0 HB2 PRO A 1 1.023 5.891 28.992 1.00 2.00 H new ATOM 0 HB3 PRO A 1 2.489 5.021 28.586 1.00 2.00 H new ATOM 0 HG2 PRO A 1 1.105 5.269 31.238 1.00 4.99 H new ATOM 0 HG3 PRO A 1 1.902 3.876 30.534 1.00 4.99 H new ATOM 0 HD2 PRO A 1 3.071 5.445 32.463 1.00 3.38 H new ATOM 0 HD3 PRO A 1 4.001 4.530 31.293 1.00 3.38 H new ATOM 17 N THR A 2 2.377 9.292 29.684 1.00 3.08 N ATOM 18 CA THR A 2 1.531 10.479 29.997 1.00 2.08 C ATOM 19 C THR A 2 1.114 11.190 28.707 1.00 2.52 C ATOM 20 O THR A 2 1.906 11.375 27.804 1.00 2.28 O ATOM 21 CB THR A 2 2.423 11.388 30.846 1.00 3.47 C ATOM 22 OG1 THR A 2 2.595 10.810 32.133 1.00 3.73 O ATOM 23 CG2 THR A 2 1.769 12.763 30.984 1.00 3.09 C ATOM 0 H THR A 2 3.289 9.502 29.279 1.00 3.08 H new ATOM 0 HA THR A 2 0.613 10.205 30.518 1.00 2.08 H new ATOM 0 HB THR A 2 3.394 11.499 30.364 1.00 3.47 H new ATOM 0 HG1 THR A 2 3.167 11.389 32.678 1.00 3.73 H new ATOM 0 HG21 THR A 2 2.405 13.409 31.589 1.00 3.09 H new ATOM 0 HG22 THR A 2 1.638 13.204 29.996 1.00 3.09 H new ATOM 0 HG23 THR A 2 0.797 12.657 31.466 1.00 3.09 H new ATOM 31 N VAL A 3 -0.122 11.596 28.617 1.00 10.00 N ATOM 32 CA VAL A 3 -0.589 12.300 27.390 1.00 10.00 C ATOM 33 C VAL A 3 -1.188 13.658 27.764 1.00 10.00 C ATOM 34 O VAL A 3 -1.449 13.935 28.919 1.00 10.00 O ATOM 35 CB VAL A 3 -1.661 11.389 26.789 1.00 10.00 C ATOM 36 CG1 VAL A 3 -2.185 12.009 25.494 1.00 10.00 C ATOM 37 CG2 VAL A 3 -1.054 10.018 26.488 1.00 10.00 C ATOM 0 H VAL A 3 -0.830 11.471 29.341 1.00 10.00 H new ATOM 0 HA VAL A 3 0.222 12.488 26.687 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.482 11.275 27.497 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.949 11.362 25.064 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.616 12.987 25.707 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.364 12.121 24.786 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.817 9.368 26.060 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -0.234 10.131 25.779 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -0.678 9.576 27.411 1.00 10.00 H new ATOM 47 N GLU A 4 -1.407 14.508 26.799 1.00 10.00 N ATOM 48 CA GLU A 4 -1.987 15.847 27.105 1.00 10.00 C ATOM 49 C GLU A 4 -3.073 16.199 26.086 1.00 10.00 C ATOM 50 O GLU A 4 -2.795 16.441 24.929 1.00 10.00 O ATOM 51 CB GLU A 4 -0.812 16.819 26.995 1.00 50.00 C ATOM 52 CG GLU A 4 -0.873 17.825 28.146 1.00 50.00 C ATOM 53 CD GLU A 4 0.302 18.799 28.036 1.00 50.00 C ATOM 54 OE1 GLU A 4 1.367 18.367 27.629 1.00 50.00 O ATOM 55 OE2 GLU A 4 0.116 19.960 28.361 1.00 50.00 O ATOM 0 H GLU A 4 -1.210 14.334 25.813 1.00 10.00 H new ATOM 0 HA GLU A 4 -2.454 15.881 28.089 1.00 10.00 H new ATOM 0 HB2 GLU A 4 0.130 16.272 27.025 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -0.847 17.341 26.039 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -1.816 18.371 28.116 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -0.838 17.302 29.102 1.00 50.00 H new ATOM 62 N TYR A 5 -4.307 16.231 26.507 1.00 10.00 N ATOM 63 CA TYR A 5 -5.407 16.570 25.559 1.00 10.00 C ATOM 64 C TYR A 5 -5.789 18.046 25.699 1.00 10.00 C ATOM 65 O TYR A 5 -5.995 18.544 26.788 1.00 10.00 O ATOM 66 CB TYR A 5 -6.575 15.668 25.959 1.00 10.00 C ATOM 67 CG TYR A 5 -7.029 16.008 27.359 1.00 10.00 C ATOM 68 CD1 TYR A 5 -7.989 17.008 27.559 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.496 15.321 28.456 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.415 17.319 28.855 1.00 50.00 C ATOM 71 CE2 TYR A 5 -6.921 15.634 29.752 1.00 50.00 C ATOM 72 CZ TYR A 5 -7.881 16.633 29.951 1.00 50.00 C ATOM 73 OH TYR A 5 -8.305 16.940 31.229 1.00 50.00 O ATOM 0 H TYR A 5 -4.602 16.038 27.464 1.00 10.00 H new ATOM 0 HA TYR A 5 -5.117 16.416 24.520 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -7.400 15.795 25.259 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -6.272 14.622 25.909 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -8.400 17.539 26.713 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -5.756 14.549 28.302 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -9.156 18.089 29.009 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -6.508 15.105 30.598 1.00 50.00 H new ATOM 0 HH TYR A 5 -9.228 17.267 31.198 1.00 50.00 H new ATOM 83 N LEU A 6 -5.879 18.748 24.602 1.00 10.00 N ATOM 84 CA LEU A 6 -6.243 20.193 24.665 1.00 10.00 C ATOM 85 C LEU A 6 -7.494 20.456 23.819 1.00 10.00 C ATOM 86 O LEU A 6 -7.510 20.224 22.625 1.00 10.00 O ATOM 87 CB LEU A 6 -5.018 20.927 24.097 1.00 12.50 C ATOM 88 CG LEU A 6 -5.242 22.453 24.013 1.00 12.50 C ATOM 89 CD1 LEU A 6 -6.446 22.898 24.854 1.00 50.00 C ATOM 90 CD2 LEU A 6 -3.991 23.167 24.528 1.00 50.00 C ATOM 0 H LEU A 6 -5.716 18.383 23.664 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.479 20.528 25.675 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.150 20.722 24.724 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -4.792 20.539 23.104 1.00 12.50 H new ATOM 0 HG LEU A 6 -5.440 22.709 22.972 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -6.570 23.978 24.769 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -7.346 22.399 24.494 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -6.278 22.634 25.898 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -4.139 24.246 24.473 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -3.807 22.878 25.563 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -3.134 22.887 23.916 1.00 50.00 H new ATOM 102 N ASN A 7 -8.545 20.931 24.434 1.00 10.00 N ATOM 103 CA ASN A 7 -9.804 21.206 23.680 1.00 10.00 C ATOM 104 C ASN A 7 -9.506 21.953 22.378 1.00 10.00 C ATOM 105 O ASN A 7 -9.134 23.109 22.385 1.00 10.00 O ATOM 106 CB ASN A 7 -10.639 22.080 24.616 1.00 10.00 C ATOM 107 CG ASN A 7 -12.075 22.155 24.095 1.00 10.00 C ATOM 108 OD1 ASN A 7 -12.546 21.244 23.443 1.00 12.50 O ATOM 109 ND2 ASN A 7 -12.797 23.212 24.357 1.00 12.50 N ATOM 0 H ASN A 7 -8.586 21.141 25.431 1.00 10.00 H new ATOM 0 HA ASN A 7 -10.320 20.287 23.400 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -10.627 21.666 25.624 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -10.210 23.080 24.677 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -13.756 23.272 24.014 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -12.402 23.977 24.904 1.00 12.50 H new ATOM 116 N TYR A 8 -9.679 21.304 21.259 1.00 50.00 N ATOM 117 CA TYR A 8 -9.417 21.981 19.958 1.00 50.00 C ATOM 118 C TYR A 8 -10.282 23.238 19.846 1.00 50.00 C ATOM 119 O TYR A 8 -9.901 24.214 19.230 1.00 50.00 O ATOM 120 CB TYR A 8 -9.807 20.961 18.888 1.00 50.00 C ATOM 121 CG TYR A 8 -9.535 21.539 17.519 1.00 50.00 C ATOM 122 CD1 TYR A 8 -10.301 22.611 17.045 1.00 50.00 C ATOM 123 CD2 TYR A 8 -8.516 21.001 16.722 1.00 50.00 C ATOM 124 CE1 TYR A 8 -10.049 23.146 15.776 1.00 50.00 C ATOM 125 CE2 TYR A 8 -8.264 21.536 15.452 1.00 50.00 C ATOM 126 CZ TYR A 8 -9.031 22.608 14.980 1.00 50.00 C ATOM 127 OH TYR A 8 -8.782 23.136 13.728 1.00 50.00 O ATOM 0 H TYR A 8 -9.990 20.335 21.190 1.00 50.00 H new ATOM 0 HA TYR A 8 -8.378 22.294 19.854 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -9.241 20.040 19.025 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -10.862 20.704 18.983 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -11.087 23.026 17.659 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -7.925 20.174 17.087 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -10.640 23.973 15.411 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -7.479 21.122 14.837 1.00 50.00 H new ATOM 0 HH TYR A 8 -7.910 22.823 13.408 1.00 50.00 H new ATOM 137 N GLU A 9 -11.442 23.224 20.444 1.00 25.00 N ATOM 138 CA GLU A 9 -12.325 24.422 20.377 1.00 25.00 C ATOM 139 C GLU A 9 -11.625 25.614 21.027 1.00 25.00 C ATOM 140 O GLU A 9 -11.646 26.716 20.515 1.00 25.00 O ATOM 141 CB GLU A 9 -13.580 24.043 21.162 1.00 50.00 C ATOM 142 CG GLU A 9 -14.805 24.669 20.494 1.00 50.00 C ATOM 143 CD GLU A 9 -16.078 24.122 21.142 1.00 50.00 C ATOM 144 OE1 GLU A 9 -15.961 23.453 22.156 1.00 50.00 O ATOM 145 OE2 GLU A 9 -17.147 24.379 20.614 1.00 50.00 O ATOM 0 H GLU A 9 -11.815 22.437 20.975 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.564 24.705 19.352 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.686 22.959 21.198 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -13.497 24.390 22.192 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -14.771 25.754 20.593 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -14.803 24.447 19.427 1.00 50.00 H new ATOM 152 N THR A 10 -10.992 25.400 22.148 1.00 50.00 N ATOM 153 CA THR A 10 -10.280 26.521 22.822 1.00 50.00 C ATOM 154 C THR A 10 -9.174 27.042 21.905 1.00 50.00 C ATOM 155 O THR A 10 -8.779 28.189 21.976 1.00 50.00 O ATOM 156 CB THR A 10 -9.686 25.914 24.094 1.00 50.00 C ATOM 157 OG1 THR A 10 -10.714 25.271 24.835 1.00 50.00 O ATOM 158 CG2 THR A 10 -9.057 27.021 24.942 1.00 50.00 C ATOM 0 H THR A 10 -10.937 24.500 22.625 1.00 50.00 H new ATOM 0 HA THR A 10 -10.937 27.360 23.051 1.00 50.00 H new ATOM 0 HB THR A 10 -8.921 25.185 23.827 1.00 50.00 H new ATOM 0 HG1 THR A 10 -10.372 25.020 25.719 1.00 50.00 H new ATOM 0 HG21 THR A 10 -8.634 26.589 25.849 1.00 50.00 H new ATOM 0 HG22 THR A 10 -8.269 27.513 24.372 1.00 50.00 H new ATOM 0 HG23 THR A 10 -9.820 27.752 25.211 1.00 50.00 H new ATOM 166 N LEU A 11 -8.677 26.204 21.037 1.00 50.00 N ATOM 167 CA LEU A 11 -7.604 26.641 20.102 1.00 50.00 C ATOM 168 C LEU A 11 -8.159 27.679 19.124 1.00 50.00 C ATOM 169 O LEU A 11 -7.572 28.720 18.907 1.00 50.00 O ATOM 170 CB LEU A 11 -7.188 25.370 19.360 1.00 50.00 C ATOM 171 CG LEU A 11 -5.751 25.518 18.860 1.00 50.00 C ATOM 172 CD1 LEU A 11 -5.411 24.350 17.931 1.00 50.00 C ATOM 173 CD2 LEU A 11 -5.613 26.835 18.095 1.00 50.00 C ATOM 0 H LEU A 11 -8.970 25.232 20.935 1.00 50.00 H new ATOM 0 HA LEU A 11 -6.762 27.104 20.617 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -7.267 24.508 20.022 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -7.860 25.190 18.521 1.00 50.00 H new ATOM 0 HG LEU A 11 -5.068 25.517 19.709 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -4.386 24.455 17.574 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -5.511 23.411 18.475 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -6.093 24.351 17.081 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -4.589 26.943 17.738 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -6.296 26.836 17.245 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -5.856 27.667 18.756 1.00 50.00 H new ATOM 185 N ASP A 12 -9.292 27.403 18.537 1.00 50.00 N ATOM 186 CA ASP A 12 -9.894 28.372 17.579 1.00 50.00 C ATOM 187 C ASP A 12 -10.586 29.501 18.345 1.00 50.00 C ATOM 188 O ASP A 12 -10.375 30.668 18.080 1.00 50.00 O ATOM 189 CB ASP A 12 -10.914 27.559 16.781 1.00 50.00 C ATOM 190 CG ASP A 12 -11.077 28.170 15.389 1.00 50.00 C ATOM 191 OD1 ASP A 12 -10.066 28.456 14.767 1.00 50.00 O ATOM 192 OD2 ASP A 12 -12.208 28.340 14.966 1.00 50.00 O ATOM 0 H ASP A 12 -9.827 26.547 18.680 1.00 50.00 H new ATOM 0 HA ASP A 12 -9.149 28.834 16.931 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -10.585 26.523 16.699 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -11.873 27.549 17.300 1.00 50.00 H new ATOM 197 N ASP A 13 -11.412 29.162 19.298 1.00 50.00 N ATOM 198 CA ASP A 13 -12.116 30.214 20.084 1.00 50.00 C ATOM 199 C ASP A 13 -11.105 31.228 20.625 1.00 50.00 C ATOM 200 O ASP A 13 -11.316 32.423 20.565 1.00 50.00 O ATOM 201 CB ASP A 13 -12.794 29.464 21.231 1.00 50.00 C ATOM 202 CG ASP A 13 -13.790 30.392 21.929 1.00 50.00 C ATOM 203 OD1 ASP A 13 -14.295 31.288 21.273 1.00 50.00 O ATOM 204 OD2 ASP A 13 -14.034 30.188 23.107 1.00 50.00 O ATOM 0 H ASP A 13 -11.629 28.202 19.566 1.00 50.00 H new ATOM 0 HA ASP A 13 -12.835 30.771 19.483 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -13.308 28.582 20.849 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -12.046 29.114 21.943 1.00 50.00 H new ATOM 209 N GLN A 14 -10.006 30.759 21.151 1.00 50.00 N ATOM 210 CA GLN A 14 -8.979 31.694 21.694 1.00 50.00 C ATOM 211 C GLN A 14 -8.156 32.293 20.551 1.00 50.00 C ATOM 212 O GLN A 14 -7.652 33.394 20.647 1.00 50.00 O ATOM 213 CB GLN A 14 -8.094 30.832 22.595 1.00 50.00 C ATOM 214 CG GLN A 14 -7.086 31.723 23.324 1.00 50.00 C ATOM 215 CD GLN A 14 -7.715 32.254 24.614 1.00 50.00 C ATOM 216 OE1 GLN A 14 -8.688 32.981 24.576 1.00 50.00 O ATOM 217 NE2 GLN A 14 -7.195 31.921 25.764 1.00 50.00 N ATOM 0 H GLN A 14 -9.775 29.769 21.228 1.00 50.00 H new ATOM 0 HA GLN A 14 -9.425 32.527 22.238 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -8.708 30.293 23.317 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -7.570 30.084 22.000 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -6.183 31.157 23.553 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -6.788 32.553 22.683 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -6.378 31.311 25.797 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -7.605 32.271 26.630 1.00 50.00 H new ATOM 226 N GLY A 15 -8.014 31.574 19.472 1.00 50.00 N ATOM 227 CA GLY A 15 -7.222 32.099 18.324 1.00 50.00 C ATOM 228 C GLY A 15 -5.734 31.836 18.573 1.00 50.00 C ATOM 229 O GLY A 15 -4.906 32.712 18.424 1.00 50.00 O ATOM 0 H GLY A 15 -8.412 30.645 19.335 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -7.538 31.617 17.399 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -7.399 33.168 18.204 1.00 50.00 H new ATOM 233 N TRP A 16 -5.390 30.637 18.954 1.00 50.00 N ATOM 234 CA TRP A 16 -3.956 30.320 19.218 1.00 50.00 C ATOM 235 C TRP A 16 -3.348 29.557 18.037 1.00 50.00 C ATOM 236 O TRP A 16 -4.009 28.772 17.385 1.00 50.00 O ATOM 237 CB TRP A 16 -3.971 29.443 20.470 1.00 50.00 C ATOM 238 CG TRP A 16 -2.583 28.974 20.767 1.00 50.00 C ATOM 239 CD1 TRP A 16 -1.627 29.714 21.370 1.00 50.00 C ATOM 240 CD2 TRP A 16 -1.982 27.677 20.486 1.00 50.00 C ATOM 241 NE1 TRP A 16 -0.476 28.955 21.480 1.00 50.00 N ATOM 242 CE2 TRP A 16 -0.645 27.692 20.949 1.00 50.00 C ATOM 243 CE3 TRP A 16 -2.460 26.500 19.881 1.00 50.00 C ATOM 244 CZ2 TRP A 16 0.189 26.579 20.817 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -1.624 25.378 19.748 1.00 50.00 C ATOM 246 CH2 TRP A 16 -0.303 25.419 20.215 1.00 50.00 C ATOM 0 H TRP A 16 -6.039 29.862 19.094 1.00 50.00 H new ATOM 0 HA TRP A 16 -3.355 31.219 19.353 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -4.365 30.006 21.316 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -4.631 28.588 20.320 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -1.743 30.732 21.711 1.00 50.00 H new ATOM 0 HE1 TRP A 16 0.391 29.288 21.902 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -3.476 26.458 19.516 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 1.206 26.615 21.178 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -2.002 24.479 19.283 1.00 50.00 H new ATOM 0 HH2 TRP A 16 0.334 24.553 20.109 1.00 50.00 H new ATOM 257 N ASP A 17 -2.091 29.780 17.761 1.00 50.00 N ATOM 258 CA ASP A 17 -1.437 29.065 16.627 1.00 50.00 C ATOM 259 C ASP A 17 -0.820 27.754 17.119 1.00 50.00 C ATOM 260 O ASP A 17 -0.663 27.537 18.303 1.00 50.00 O ATOM 261 CB ASP A 17 -0.349 30.017 16.134 1.00 50.00 C ATOM 262 CG ASP A 17 -0.118 29.797 14.637 1.00 50.00 C ATOM 263 OD1 ASP A 17 0.200 28.679 14.266 1.00 50.00 O ATOM 264 OD2 ASP A 17 -0.264 30.749 13.888 1.00 50.00 O ATOM 0 H ASP A 17 -1.489 30.426 18.272 1.00 50.00 H new ATOM 0 HA ASP A 17 -2.142 28.809 15.836 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -0.643 31.050 16.319 1.00 50.00 H new ATOM 0 HB3 ASP A 17 0.576 29.846 16.685 1.00 50.00 H new ATOM 269 N MET A 18 -0.465 26.877 16.222 1.00 50.00 N ATOM 270 CA MET A 18 0.142 25.584 16.648 1.00 50.00 C ATOM 271 C MET A 18 1.359 25.843 17.538 1.00 50.00 C ATOM 272 O MET A 18 1.799 24.981 18.273 1.00 50.00 O ATOM 273 CB MET A 18 0.564 24.898 15.348 1.00 50.00 C ATOM 274 CG MET A 18 -0.524 23.916 14.911 1.00 50.00 C ATOM 275 SD MET A 18 -1.269 24.489 13.364 1.00 50.00 S ATOM 276 CE MET A 18 -0.305 23.441 12.248 1.00 50.00 C ATOM 0 H MET A 18 -0.568 26.999 15.215 1.00 50.00 H new ATOM 0 HA MET A 18 -0.550 24.971 17.225 1.00 50.00 H new ATOM 0 HB2 MET A 18 0.731 25.642 14.569 1.00 50.00 H new ATOM 0 HB3 MET A 18 1.507 24.371 15.492 1.00 50.00 H new ATOM 0 HG2 MET A 18 -0.098 22.922 14.776 1.00 50.00 H new ATOM 0 HG3 MET A 18 -1.287 23.833 15.685 1.00 50.00 H new ATOM 0 HE1 MET A 18 -0.606 23.633 11.218 1.00 50.00 H new ATOM 0 HE2 MET A 18 0.755 23.665 12.364 1.00 50.00 H new ATOM 0 HE3 MET A 18 -0.483 22.393 12.489 1.00 50.00 H new ATOM 286 N ASP A 19 1.908 27.025 17.477 1.00 50.00 N ATOM 287 CA ASP A 19 3.099 27.337 18.322 1.00 50.00 C ATOM 288 C ASP A 19 3.128 28.825 18.676 1.00 50.00 C ATOM 289 O ASP A 19 4.173 29.445 18.705 1.00 50.00 O ATOM 290 CB ASP A 19 4.306 26.968 17.458 1.00 50.00 C ATOM 291 CG ASP A 19 5.072 25.819 18.116 1.00 50.00 C ATOM 292 OD1 ASP A 19 4.450 24.815 18.421 1.00 50.00 O ATOM 293 OD2 ASP A 19 6.270 25.963 18.302 1.00 50.00 O ATOM 0 H ASP A 19 1.586 27.787 16.881 1.00 50.00 H new ATOM 0 HA ASP A 19 3.088 26.789 19.264 1.00 50.00 H new ATOM 0 HB2 ASP A 19 3.977 26.676 16.461 1.00 50.00 H new ATOM 0 HB3 ASP A 19 4.959 27.833 17.338 1.00 50.00 H new ATOM 298 N ASP A 20 1.990 29.406 18.945 1.00 50.00 N ATOM 299 CA ASP A 20 1.962 30.855 19.297 1.00 50.00 C ATOM 300 C ASP A 20 2.364 31.052 20.764 1.00 50.00 C ATOM 301 O ASP A 20 3.533 31.093 21.093 1.00 50.00 O ATOM 302 CB ASP A 20 0.517 31.292 19.066 1.00 50.00 C ATOM 303 CG ASP A 20 0.326 32.716 19.592 1.00 50.00 C ATOM 304 OD1 ASP A 20 1.076 33.584 19.177 1.00 50.00 O ATOM 305 OD2 ASP A 20 -0.565 32.914 20.401 1.00 50.00 O ATOM 0 H ASP A 20 1.082 28.942 18.936 1.00 50.00 H new ATOM 0 HA ASP A 20 2.661 31.440 18.699 1.00 50.00 H new ATOM 0 HB2 ASP A 20 0.278 31.250 18.003 1.00 50.00 H new ATOM 0 HB3 ASP A 20 -0.166 30.611 19.573 1.00 50.00 H new ATOM 310 N ASP A 21 1.409 31.176 21.648 1.00 50.00 N ATOM 311 CA ASP A 21 1.748 31.371 23.085 1.00 50.00 C ATOM 312 C ASP A 21 2.105 30.029 23.732 1.00 50.00 C ATOM 313 O ASP A 21 3.165 29.484 23.502 1.00 50.00 O ATOM 314 CB ASP A 21 0.485 31.978 23.702 1.00 50.00 C ATOM 315 CG ASP A 21 0.733 32.293 25.180 1.00 50.00 C ATOM 316 OD1 ASP A 21 1.441 31.533 25.819 1.00 50.00 O ATOM 317 OD2 ASP A 21 0.209 33.291 25.647 1.00 50.00 O ATOM 0 H ASP A 21 0.412 31.151 21.436 1.00 50.00 H new ATOM 0 HA ASP A 21 2.614 32.016 23.233 1.00 50.00 H new ATOM 0 HB2 ASP A 21 0.208 32.887 23.168 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -0.350 31.284 23.603 1.00 50.00 H new ATOM 322 N ASP A 22 1.231 29.490 24.533 1.00 50.00 N ATOM 323 CA ASP A 22 1.524 28.186 25.186 1.00 50.00 C ATOM 324 C ASP A 22 0.210 27.501 25.537 1.00 50.00 C ATOM 325 O ASP A 22 0.037 26.979 26.615 1.00 50.00 O ATOM 326 CB ASP A 22 2.315 28.529 26.449 1.00 50.00 C ATOM 327 CG ASP A 22 3.773 28.805 26.078 1.00 50.00 C ATOM 328 OD1 ASP A 22 4.331 28.024 25.326 1.00 50.00 O ATOM 329 OD2 ASP A 22 4.307 29.795 26.552 1.00 50.00 O ATOM 0 H ASP A 22 0.325 29.897 24.764 1.00 50.00 H new ATOM 0 HA ASP A 22 2.088 27.509 24.544 1.00 50.00 H new ATOM 0 HB2 ASP A 22 1.881 29.402 26.937 1.00 50.00 H new ATOM 0 HB3 ASP A 22 2.259 27.705 27.161 1.00 50.00 H new ATOM 334 N LEU A 23 -0.712 27.519 24.621 1.00 50.00 N ATOM 335 CA LEU A 23 -2.050 26.883 24.856 1.00 50.00 C ATOM 336 C LEU A 23 -1.931 25.643 25.753 1.00 50.00 C ATOM 337 O LEU A 23 -2.407 25.627 26.872 1.00 50.00 O ATOM 338 CB LEU A 23 -2.532 26.479 23.466 1.00 50.00 C ATOM 339 CG LEU A 23 -4.041 26.702 23.355 1.00 50.00 C ATOM 340 CD1 LEU A 23 -4.349 28.195 23.490 1.00 50.00 C ATOM 341 CD2 LEU A 23 -4.529 26.203 21.993 1.00 50.00 C ATOM 0 H LEU A 23 -0.601 27.952 23.704 1.00 50.00 H new ATOM 0 HA LEU A 23 -2.735 27.563 25.363 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -2.012 27.063 22.707 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -2.295 25.431 23.279 1.00 50.00 H new ATOM 0 HG LEU A 23 -4.549 26.154 24.149 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -5.425 28.353 23.411 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -4.000 28.552 24.459 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -3.842 28.744 22.697 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -5.604 26.361 21.912 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -4.021 26.752 21.201 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -4.310 25.140 21.895 1.00 50.00 H new ATOM 353 N PHE A 24 -1.309 24.604 25.269 1.00 50.00 N ATOM 354 CA PHE A 24 -1.167 23.361 26.085 1.00 50.00 C ATOM 355 C PHE A 24 -0.614 23.694 27.470 1.00 50.00 C ATOM 356 O PHE A 24 -0.819 22.971 28.424 1.00 50.00 O ATOM 357 CB PHE A 24 -0.173 22.492 25.312 1.00 50.00 C ATOM 358 CG PHE A 24 -0.927 21.504 24.455 1.00 50.00 C ATOM 359 CD1 PHE A 24 -1.431 20.328 25.023 1.00 50.00 C ATOM 360 CD2 PHE A 24 -1.124 21.763 23.093 1.00 50.00 C ATOM 361 CE1 PHE A 24 -2.130 19.411 24.230 1.00 50.00 C ATOM 362 CE2 PHE A 24 -1.824 20.846 22.300 1.00 50.00 C ATOM 363 CZ PHE A 24 -2.327 19.671 22.868 1.00 50.00 C ATOM 0 H PHE A 24 -0.891 24.560 24.340 1.00 50.00 H new ATOM 0 HA PHE A 24 -2.122 22.858 26.236 1.00 50.00 H new ATOM 0 HB2 PHE A 24 0.465 23.118 24.688 1.00 50.00 H new ATOM 0 HB3 PHE A 24 0.480 21.963 26.006 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -1.280 20.128 26.074 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -0.736 22.670 22.654 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -2.517 18.503 24.668 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -1.976 21.046 21.250 1.00 50.00 H new ATOM 0 HZ PHE A 24 -2.867 18.964 22.256 1.00 50.00 H new ATOM 373 N GLU A 25 0.090 24.783 27.585 1.00 50.00 N ATOM 374 CA GLU A 25 0.665 25.165 28.910 1.00 50.00 C ATOM 375 C GLU A 25 -0.225 26.200 29.606 1.00 50.00 C ATOM 376 O GLU A 25 -0.577 26.053 30.760 1.00 50.00 O ATOM 377 CB GLU A 25 2.033 25.766 28.588 1.00 50.00 C ATOM 378 CG GLU A 25 3.104 25.082 29.441 1.00 50.00 C ATOM 379 CD GLU A 25 3.184 23.601 29.068 1.00 50.00 C ATOM 380 OE1 GLU A 25 2.642 23.239 28.036 1.00 50.00 O ATOM 381 OE2 GLU A 25 3.784 22.852 29.821 1.00 50.00 O ATOM 0 H GLU A 25 0.294 25.427 26.821 1.00 50.00 H new ATOM 0 HA GLU A 25 0.739 24.312 29.585 1.00 50.00 H new ATOM 0 HB2 GLU A 25 2.259 25.637 27.529 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.026 26.838 28.784 1.00 50.00 H new ATOM 0 HG2 GLU A 25 4.070 25.561 29.283 1.00 50.00 H new ATOM 0 HG3 GLU A 25 2.865 25.189 30.499 1.00 50.00 H new ATOM 388 N LYS A 26 -0.587 27.248 28.919 1.00 50.00 N ATOM 389 CA LYS A 26 -1.449 28.295 29.541 1.00 50.00 C ATOM 390 C LYS A 26 -2.781 27.692 29.992 1.00 50.00 C ATOM 391 O LYS A 26 -3.396 28.154 30.932 1.00 50.00 O ATOM 392 CB LYS A 26 -1.677 29.323 28.434 1.00 50.00 C ATOM 393 CG LYS A 26 -2.358 30.561 29.020 1.00 50.00 C ATOM 394 CD LYS A 26 -1.296 31.600 29.384 1.00 50.00 C ATOM 395 CE LYS A 26 -1.556 32.118 30.800 1.00 50.00 C ATOM 396 NZ LYS A 26 -1.922 33.552 30.620 1.00 50.00 N ATOM 0 H LYS A 26 -0.322 27.426 27.950 1.00 50.00 H new ATOM 0 HA LYS A 26 -0.988 28.736 30.425 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -0.726 29.599 27.978 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -2.295 28.893 27.646 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -3.060 30.979 28.299 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -2.934 30.289 29.904 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -0.302 31.157 29.324 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -1.320 32.426 28.673 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -2.360 31.562 31.283 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -0.672 32.011 31.429 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -2.116 33.980 31.548 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -1.135 34.056 30.164 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -2.771 33.621 30.023 1.00 50.00 H new ATOM 410 N ALA A 27 -3.231 26.665 29.329 1.00 50.00 N ATOM 411 CA ALA A 27 -4.524 26.036 29.719 1.00 50.00 C ATOM 412 C ALA A 27 -4.464 25.571 31.177 1.00 50.00 C ATOM 413 O ALA A 27 -5.474 25.430 31.837 1.00 50.00 O ATOM 414 CB ALA A 27 -4.683 24.841 28.778 1.00 50.00 C ATOM 0 H ALA A 27 -2.760 26.233 28.534 1.00 50.00 H new ATOM 0 HA ALA A 27 -5.362 26.728 29.641 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -5.615 24.323 29.002 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -4.701 25.191 27.746 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -3.846 24.157 28.914 1.00 50.00 H new ATOM 420 N ALA A 28 -3.284 25.332 31.683 1.00 50.00 N ATOM 421 CA ALA A 28 -3.158 24.879 33.099 1.00 50.00 C ATOM 422 C ALA A 28 -3.107 26.088 34.039 1.00 50.00 C ATOM 423 O ALA A 28 -3.057 25.946 35.244 1.00 50.00 O ATOM 424 CB ALA A 28 -1.841 24.104 33.151 1.00 50.00 C ATOM 0 H ALA A 28 -2.403 25.431 31.178 1.00 50.00 H new ATOM 0 HA ALA A 28 -4.004 24.268 33.414 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -1.675 23.736 34.164 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -1.888 23.261 32.462 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -1.020 24.762 32.865 1.00 50.00 H new ATOM 430 N ASP A 29 -3.119 27.274 33.496 1.00 50.00 N ATOM 431 CA ASP A 29 -3.072 28.489 34.358 1.00 50.00 C ATOM 432 C ASP A 29 -4.115 29.508 33.891 1.00 50.00 C ATOM 433 O ASP A 29 -4.149 30.632 34.351 1.00 50.00 O ATOM 434 CB ASP A 29 -1.659 29.047 34.180 1.00 50.00 C ATOM 435 CG ASP A 29 -0.992 29.209 35.547 1.00 50.00 C ATOM 436 OD1 ASP A 29 -1.539 28.707 36.516 1.00 50.00 O ATOM 437 OD2 ASP A 29 0.055 29.833 35.604 1.00 50.00 O ATOM 0 H ASP A 29 -3.159 27.455 32.493 1.00 50.00 H new ATOM 0 HA ASP A 29 -3.292 28.264 35.402 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -1.069 28.377 33.554 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -1.699 30.008 33.668 1.00 50.00 H new ATOM 442 N ALA A 30 -4.964 29.122 32.979 1.00 50.00 N ATOM 443 CA ALA A 30 -6.005 30.068 32.482 1.00 50.00 C ATOM 444 C ALA A 30 -7.336 29.816 33.195 1.00 50.00 C ATOM 445 O ALA A 30 -8.180 30.686 33.280 1.00 50.00 O ATOM 446 CB ALA A 30 -6.131 29.768 30.989 1.00 50.00 C ATOM 0 H ALA A 30 -4.983 28.194 32.556 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.739 31.109 32.668 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -6.881 30.425 30.548 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.170 29.935 30.502 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -6.432 28.730 30.851 1.00 50.00 H new ATOM 452 N GLY A 31 -7.530 28.632 33.709 1.00 50.00 N ATOM 453 CA GLY A 31 -8.805 28.326 34.415 1.00 50.00 C ATOM 454 C GLY A 31 -9.773 27.642 33.448 1.00 50.00 C ATOM 455 O GLY A 31 -10.970 27.846 33.501 1.00 50.00 O ATOM 0 H GLY A 31 -6.860 27.864 33.670 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -8.613 27.680 35.271 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -9.248 29.244 34.801 1.00 50.00 H new ATOM 459 N LEU A 32 -9.265 26.829 32.562 1.00 50.00 N ATOM 460 CA LEU A 32 -10.158 26.132 31.592 1.00 50.00 C ATOM 461 C LEU A 32 -10.739 24.865 32.225 1.00 50.00 C ATOM 462 O LEU A 32 -10.228 24.357 33.203 1.00 50.00 O ATOM 463 CB LEU A 32 -9.257 25.777 30.409 1.00 50.00 C ATOM 464 CG LEU A 32 -9.207 26.957 29.435 1.00 50.00 C ATOM 465 CD1 LEU A 32 -7.773 27.145 28.937 1.00 50.00 C ATOM 466 CD2 LEU A 32 -10.128 26.678 28.246 1.00 50.00 C ATOM 0 H LEU A 32 -8.272 26.617 32.468 1.00 50.00 H new ATOM 0 HA LEU A 32 -11.003 26.751 31.289 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -8.253 25.539 30.761 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -9.636 24.889 29.903 1.00 50.00 H new ATOM 0 HG LEU A 32 -9.537 27.863 29.944 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -7.736 27.985 28.243 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -7.117 27.345 29.784 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -7.443 26.239 28.428 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -10.092 27.518 27.553 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -9.799 25.773 27.736 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -11.150 26.544 28.601 1.00 50.00 H new ATOM 478 N ASP A 33 -11.804 24.351 31.674 1.00 50.00 N ATOM 479 CA ASP A 33 -12.417 23.118 32.245 1.00 50.00 C ATOM 480 C ASP A 33 -11.489 21.920 32.035 1.00 50.00 C ATOM 481 O ASP A 33 -10.900 21.755 30.985 1.00 50.00 O ATOM 482 CB ASP A 33 -13.721 22.929 31.471 1.00 50.00 C ATOM 483 CG ASP A 33 -14.907 23.219 32.393 1.00 50.00 C ATOM 484 OD1 ASP A 33 -14.691 23.819 33.433 1.00 50.00 O ATOM 485 OD2 ASP A 33 -16.011 22.835 32.044 1.00 50.00 O ATOM 0 H ASP A 33 -12.276 24.731 30.854 1.00 50.00 H new ATOM 0 HA ASP A 33 -12.589 23.201 33.318 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -13.745 23.596 30.609 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -13.785 21.911 31.088 1.00 50.00 H new ATOM 490 N GLY A 34 -11.352 21.083 33.027 1.00 50.00 N ATOM 491 CA GLY A 34 -10.462 19.898 32.887 1.00 50.00 C ATOM 492 C GLY A 34 -10.934 19.038 31.713 1.00 50.00 C ATOM 493 O GLY A 34 -10.144 18.408 31.036 1.00 50.00 O ATOM 0 H GLY A 34 -11.819 21.170 33.930 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -9.433 20.220 32.725 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -10.471 19.313 33.807 1.00 50.00 H new ATOM 497 N GLU A 35 -12.213 19.008 31.464 1.00 50.00 N ATOM 498 CA GLU A 35 -12.734 18.189 30.332 1.00 50.00 C ATOM 499 C GLU A 35 -12.175 18.714 29.006 1.00 50.00 C ATOM 500 O GLU A 35 -12.248 18.059 27.987 1.00 50.00 O ATOM 501 CB GLU A 35 -14.252 18.360 30.382 1.00 50.00 C ATOM 502 CG GLU A 35 -14.923 16.986 30.317 1.00 50.00 C ATOM 503 CD GLU A 35 -16.441 17.155 30.387 1.00 50.00 C ATOM 504 OE1 GLU A 35 -16.970 17.911 29.589 1.00 50.00 O ATOM 505 OE2 GLU A 35 -17.049 16.525 31.236 1.00 50.00 O ATOM 0 H GLU A 35 -12.921 19.515 31.995 1.00 50.00 H new ATOM 0 HA GLU A 35 -12.443 17.141 30.409 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -14.541 18.874 31.299 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -14.586 18.980 29.550 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -14.645 16.477 29.394 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -14.578 16.362 31.141 1.00 50.00 H new ATOM 512 N ASP A 36 -11.613 19.892 29.017 1.00 50.00 N ATOM 513 CA ASP A 36 -11.044 20.461 27.761 1.00 50.00 C ATOM 514 C ASP A 36 -9.523 20.291 27.756 1.00 50.00 C ATOM 515 O ASP A 36 -8.960 19.667 26.879 1.00 50.00 O ATOM 516 CB ASP A 36 -11.420 21.943 27.793 1.00 50.00 C ATOM 517 CG ASP A 36 -12.699 22.163 26.983 1.00 50.00 C ATOM 518 OD1 ASP A 36 -13.183 21.205 26.402 1.00 50.00 O ATOM 519 OD2 ASP A 36 -13.173 23.287 26.956 1.00 50.00 O ATOM 0 H ASP A 36 -11.523 20.486 29.842 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.425 19.966 26.868 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -11.568 22.269 28.822 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -10.609 22.544 27.382 1.00 50.00 H new ATOM 524 N TYR A 37 -8.855 20.838 28.734 1.00 12.50 N ATOM 525 CA TYR A 37 -7.371 20.704 28.791 1.00 12.50 C ATOM 526 C TYR A 37 -6.966 19.883 30.018 1.00 12.50 C ATOM 527 O TYR A 37 -7.545 20.010 31.079 1.00 12.50 O ATOM 528 CB TYR A 37 -6.845 22.137 28.906 1.00 12.50 C ATOM 529 CG TYR A 37 -5.405 22.110 29.361 1.00 12.50 C ATOM 530 CD1 TYR A 37 -4.397 21.706 28.474 1.00 50.00 C ATOM 531 CD2 TYR A 37 -5.076 22.484 30.669 1.00 50.00 C ATOM 532 CE1 TYR A 37 -3.062 21.678 28.898 1.00 50.00 C ATOM 533 CE2 TYR A 37 -3.741 22.456 31.092 1.00 50.00 C ATOM 534 CZ TYR A 37 -2.735 22.053 30.206 1.00 12.50 C ATOM 535 OH TYR A 37 -1.419 22.025 30.623 1.00 50.00 O ATOM 0 H TYR A 37 -9.272 21.372 29.496 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.967 20.193 27.917 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -6.924 22.643 27.944 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -7.451 22.702 29.614 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -4.650 21.417 27.465 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -5.852 22.794 31.353 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.285 21.367 28.215 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -3.488 22.745 32.101 1.00 50.00 H new ATOM 0 HH TYR A 37 -0.840 22.341 29.899 1.00 50.00 H new ATOM 545 N GLY A 38 -5.976 19.045 29.885 1.00 10.00 N ATOM 546 CA GLY A 38 -5.538 18.224 31.048 1.00 10.00 C ATOM 547 C GLY A 38 -4.578 17.132 30.575 1.00 10.00 C ATOM 548 O GLY A 38 -4.481 16.844 29.398 1.00 10.00 O ATOM 0 H GLY A 38 -5.452 18.893 29.023 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -5.048 18.857 31.788 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.404 17.775 31.535 1.00 10.00 H new ATOM 552 N THR A 39 -3.869 16.521 31.482 1.00 10.00 N ATOM 553 CA THR A 39 -2.917 15.445 31.085 1.00 10.00 C ATOM 554 C THR A 39 -3.636 14.094 31.056 1.00 10.00 C ATOM 555 O THR A 39 -4.216 13.667 32.034 1.00 10.00 O ATOM 556 CB THR A 39 -1.833 15.454 32.165 1.00 50.00 C ATOM 557 OG1 THR A 39 -1.507 16.798 32.494 1.00 50.00 O ATOM 558 CG2 THR A 39 -0.587 14.734 31.647 1.00 50.00 C ATOM 0 H THR A 39 -3.907 16.720 32.482 1.00 10.00 H new ATOM 0 HA THR A 39 -2.500 15.606 30.091 1.00 10.00 H new ATOM 0 HB THR A 39 -2.200 14.941 33.054 1.00 50.00 H new ATOM 0 HG1 THR A 39 -0.814 16.806 33.187 1.00 50.00 H new ATOM 0 HG21 THR A 39 0.184 14.741 32.417 1.00 50.00 H new ATOM 0 HG22 THR A 39 -0.840 13.704 31.396 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.216 15.243 30.757 1.00 50.00 H new ATOM 566 N MET A 40 -3.604 13.420 29.940 1.00 10.00 N ATOM 567 CA MET A 40 -4.289 12.099 29.848 1.00 10.00 C ATOM 568 C MET A 40 -3.338 10.977 30.275 1.00 10.00 C ATOM 569 O MET A 40 -2.322 10.741 29.650 1.00 10.00 O ATOM 570 CB MET A 40 -4.659 11.952 28.373 1.00 10.00 C ATOM 571 CG MET A 40 -6.181 11.974 28.222 1.00 10.00 C ATOM 572 SD MET A 40 -6.613 11.879 26.468 1.00 12.50 S ATOM 573 CE MET A 40 -6.140 10.151 26.214 1.00 50.00 C ATOM 0 H MET A 40 -3.134 13.726 29.088 1.00 10.00 H new ATOM 0 HA MET A 40 -5.162 12.039 30.499 1.00 10.00 H new ATOM 0 HB2 MET A 40 -4.214 12.761 27.794 1.00 10.00 H new ATOM 0 HB3 MET A 40 -4.258 11.019 27.978 1.00 10.00 H new ATOM 0 HG2 MET A 40 -6.623 11.137 28.762 1.00 10.00 H new ATOM 0 HG3 MET A 40 -6.588 12.886 28.659 1.00 10.00 H new ATOM 0 HE1 MET A 40 -6.890 9.655 25.598 1.00 50.00 H new ATOM 0 HE2 MET A 40 -5.173 10.108 25.713 1.00 50.00 H new ATOM 0 HE3 MET A 40 -6.072 9.647 27.178 1.00 50.00 H new ATOM 583 N GLU A 41 -3.659 10.280 31.330 1.00 10.00 N ATOM 584 CA GLU A 41 -2.772 9.171 31.786 1.00 10.00 C ATOM 585 C GLU A 41 -3.198 7.856 31.127 1.00 10.00 C ATOM 586 O GLU A 41 -4.309 7.396 31.295 1.00 10.00 O ATOM 587 CB GLU A 41 -2.955 9.110 33.305 1.00 10.00 C ATOM 588 CG GLU A 41 -4.287 8.436 33.642 1.00 10.00 C ATOM 589 CD GLU A 41 -4.660 8.743 35.093 1.00 12.50 C ATOM 590 OE1 GLU A 41 -4.497 9.883 35.497 1.00 12.50 O ATOM 591 OE2 GLU A 41 -5.100 7.834 35.776 1.00 12.50 O ATOM 0 H GLU A 41 -4.495 10.429 31.895 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.728 9.334 31.517 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -2.132 8.556 33.757 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -2.930 10.116 33.724 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -5.068 8.794 32.971 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -4.209 7.359 33.495 1.00 10.00 H new ATOM 598 N VAL A 42 -2.324 7.254 30.369 1.00 10.00 N ATOM 599 CA VAL A 42 -2.680 5.976 29.691 1.00 10.00 C ATOM 600 C VAL A 42 -1.744 4.853 30.144 1.00 10.00 C ATOM 601 O VAL A 42 -0.670 4.671 29.605 1.00 10.00 O ATOM 602 CB VAL A 42 -2.496 6.262 28.200 1.00 10.00 C ATOM 603 CG1 VAL A 42 -3.039 5.089 27.382 1.00 10.00 C ATOM 604 CG2 VAL A 42 -3.257 7.536 27.830 1.00 10.00 C ATOM 0 H VAL A 42 -1.378 7.592 30.190 1.00 10.00 H new ATOM 0 HA VAL A 42 -3.694 5.651 29.925 1.00 10.00 H new ATOM 0 HB VAL A 42 -1.436 6.394 27.984 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -2.907 5.294 26.320 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -2.498 4.180 27.646 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -4.099 4.955 27.597 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -3.127 7.742 26.768 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -4.317 7.403 28.047 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -2.870 8.373 28.412 1.00 10.00 H new ATOM 614 N ALA A 43 -2.144 4.096 31.130 1.00 10.00 N ATOM 615 CA ALA A 43 -1.277 2.983 31.613 1.00 10.00 C ATOM 616 C ALA A 43 -0.985 2.009 30.468 1.00 10.00 C ATOM 617 O ALA A 43 -1.872 1.610 29.740 1.00 10.00 O ATOM 618 CB ALA A 43 -2.092 2.295 32.708 1.00 50.00 C ATOM 0 H ALA A 43 -3.032 4.200 31.621 1.00 10.00 H new ATOM 0 HA ALA A 43 -0.315 3.337 31.983 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.521 1.461 33.117 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -2.310 3.009 33.502 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -3.026 1.924 32.287 1.00 50.00 H new ATOM 624 N GLU A 44 0.252 1.626 30.302 1.00 10.00 N ATOM 625 CA GLU A 44 0.597 0.680 29.201 1.00 10.00 C ATOM 626 C GLU A 44 -0.448 -0.435 29.112 1.00 10.00 C ATOM 627 O GLU A 44 -0.616 -1.218 30.024 1.00 10.00 O ATOM 628 CB GLU A 44 1.961 0.105 29.584 1.00 10.00 C ATOM 629 CG GLU A 44 3.005 0.535 28.552 1.00 10.00 C ATOM 630 CD GLU A 44 4.334 -0.164 28.850 1.00 25.00 C ATOM 631 OE1 GLU A 44 4.367 -1.381 28.793 1.00 25.00 O ATOM 632 OE2 GLU A 44 5.296 0.533 29.132 1.00 25.00 O ATOM 0 H GLU A 44 1.037 1.926 30.879 1.00 10.00 H new ATOM 0 HA GLU A 44 0.620 1.172 28.229 1.00 10.00 H new ATOM 0 HB2 GLU A 44 2.249 0.454 30.575 1.00 10.00 H new ATOM 0 HB3 GLU A 44 1.908 -0.983 29.632 1.00 10.00 H new ATOM 0 HG2 GLU A 44 2.665 0.281 27.548 1.00 10.00 H new ATOM 0 HG3 GLU A 44 3.136 1.617 28.580 1.00 10.00 H new ATOM 639 N GLY A 45 -1.152 -0.510 28.015 1.00 10.00 N ATOM 640 CA GLY A 45 -2.184 -1.573 27.863 1.00 10.00 C ATOM 641 C GLY A 45 -3.577 -0.937 27.870 1.00 10.00 C ATOM 642 O GLY A 45 -4.580 -1.622 27.888 1.00 10.00 O ATOM 0 H GLY A 45 -1.056 0.119 27.218 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -2.026 -2.118 26.932 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -2.099 -2.296 28.674 1.00 10.00 H new ATOM 646 N GLU A 46 -3.647 0.367 27.858 1.00 10.00 N ATOM 647 CA GLU A 46 -4.980 1.039 27.865 1.00 10.00 C ATOM 648 C GLU A 46 -5.138 1.924 26.625 1.00 10.00 C ATOM 649 O GLU A 46 -4.499 2.950 26.500 1.00 10.00 O ATOM 650 CB GLU A 46 -4.986 1.892 29.134 1.00 10.00 C ATOM 651 CG GLU A 46 -6.426 2.274 29.482 1.00 10.00 C ATOM 652 CD GLU A 46 -7.110 1.099 30.184 1.00 10.00 C ATOM 653 OE1 GLU A 46 -7.012 1.021 31.398 1.00 10.00 O ATOM 654 OE2 GLU A 46 -7.719 0.297 29.496 1.00 10.00 O ATOM 0 H GLU A 46 -2.843 0.994 27.844 1.00 10.00 H new ATOM 0 HA GLU A 46 -5.801 0.323 27.849 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -4.535 1.340 29.959 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -4.386 2.790 28.985 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -6.435 3.152 30.128 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -6.972 2.539 28.577 1.00 10.00 H new ATOM 661 N TYR A 47 -5.985 1.539 25.711 1.00 10.00 N ATOM 662 CA TYR A 47 -6.183 2.365 24.484 1.00 10.00 C ATOM 663 C TYR A 47 -6.429 3.826 24.873 1.00 10.00 C ATOM 664 O TYR A 47 -6.876 4.121 25.964 1.00 10.00 O ATOM 665 CB TYR A 47 -7.413 1.771 23.797 1.00 10.00 C ATOM 666 CG TYR A 47 -7.197 0.293 23.568 1.00 10.00 C ATOM 667 CD1 TYR A 47 -5.990 -0.163 23.023 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.202 -0.623 23.902 1.00 10.00 C ATOM 669 CE1 TYR A 47 -5.789 -1.532 22.812 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.001 -1.992 23.692 1.00 10.00 C ATOM 671 CZ TYR A 47 -6.794 -2.447 23.147 1.00 10.00 C ATOM 672 OH TYR A 47 -6.595 -3.797 22.939 1.00 10.00 O ATOM 0 H TYR A 47 -6.548 0.690 25.759 1.00 10.00 H new ATOM 0 HA TYR A 47 -5.312 2.353 23.828 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.299 1.929 24.413 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.591 2.275 22.847 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.214 0.542 22.765 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -9.133 -0.273 24.322 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -4.858 -1.882 22.391 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -8.777 -2.698 23.950 1.00 10.00 H new ATOM 0 HH TYR A 47 -7.390 -4.293 23.226 1.00 10.00 H new ATOM 682 N ILE A 48 -6.134 4.743 23.995 1.00 10.00 N ATOM 683 CA ILE A 48 -6.344 6.184 24.322 1.00 10.00 C ATOM 684 C ILE A 48 -7.800 6.440 24.727 1.00 10.00 C ATOM 685 O ILE A 48 -8.089 6.750 25.866 1.00 10.00 O ATOM 686 CB ILE A 48 -6.002 6.939 23.038 1.00 10.00 C ATOM 687 CG1 ILE A 48 -4.494 6.867 22.790 1.00 10.00 C ATOM 688 CG2 ILE A 48 -6.426 8.402 23.178 1.00 10.00 C ATOM 689 CD1 ILE A 48 -4.234 6.307 21.390 1.00 10.00 C ATOM 0 H ILE A 48 -5.757 4.559 23.065 1.00 10.00 H new ATOM 0 HA ILE A 48 -5.726 6.505 25.161 1.00 10.00 H new ATOM 0 HB ILE A 48 -6.530 6.486 22.199 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -4.051 7.859 22.885 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -4.021 6.234 23.540 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -6.182 8.941 22.262 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -7.500 8.454 23.355 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -5.898 8.855 24.017 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -3.160 6.255 21.212 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -4.663 5.308 21.312 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -4.694 6.958 20.647 1.00 10.00 H new ATOM 701 N LEU A 49 -8.719 6.317 23.808 1.00 10.00 N ATOM 702 CA LEU A 49 -10.149 6.560 24.157 1.00 10.00 C ATOM 703 C LEU A 49 -10.533 5.746 25.397 1.00 10.00 C ATOM 704 O LEU A 49 -11.493 6.050 26.077 1.00 10.00 O ATOM 705 CB LEU A 49 -10.949 6.098 22.938 1.00 10.00 C ATOM 706 CG LEU A 49 -12.420 5.933 23.324 1.00 10.00 C ATOM 707 CD1 LEU A 49 -13.308 6.300 22.133 1.00 10.00 C ATOM 708 CD2 LEU A 49 -12.680 4.480 23.725 1.00 10.00 C ATOM 0 H LEU A 49 -8.544 6.060 22.836 1.00 10.00 H new ATOM 0 HA LEU A 49 -10.343 7.607 24.390 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -10.853 6.824 22.131 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -10.552 5.154 22.566 1.00 10.00 H new ATOM 0 HG LEU A 49 -12.651 6.590 24.163 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -14.356 6.182 22.410 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -13.123 7.335 21.847 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -13.079 5.645 21.293 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -13.728 4.360 24.000 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -12.448 3.824 22.886 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -12.049 4.219 24.575 1.00 10.00 H new ATOM 720 N GLU A 50 -9.785 4.717 25.700 1.00 10.00 N ATOM 721 CA GLU A 50 -10.106 3.891 26.899 1.00 10.00 C ATOM 722 C GLU A 50 -9.647 4.615 28.168 1.00 10.00 C ATOM 723 O GLU A 50 -10.398 4.773 29.111 1.00 10.00 O ATOM 724 CB GLU A 50 -9.321 2.592 26.709 1.00 10.00 C ATOM 725 CG GLU A 50 -10.226 1.536 26.072 1.00 10.00 C ATOM 726 CD GLU A 50 -9.978 0.182 26.741 1.00 50.00 C ATOM 727 OE1 GLU A 50 -9.592 0.177 27.899 1.00 50.00 O ATOM 728 OE2 GLU A 50 -10.179 -0.826 26.085 1.00 50.00 O ATOM 0 H GLU A 50 -8.968 4.414 25.170 1.00 10.00 H new ATOM 0 HA GLU A 50 -11.175 3.706 27.003 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -8.451 2.770 26.077 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.949 2.236 27.670 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -11.272 1.823 26.183 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -10.026 1.467 25.003 1.00 10.00 H new ATOM 735 N ALA A 51 -8.421 5.062 28.198 1.00 10.00 N ATOM 736 CA ALA A 51 -7.921 5.780 29.405 1.00 10.00 C ATOM 737 C ALA A 51 -8.597 7.147 29.513 1.00 10.00 C ATOM 738 O ALA A 51 -8.809 7.665 30.592 1.00 10.00 O ATOM 739 CB ALA A 51 -6.417 5.940 29.181 1.00 12.50 C ATOM 0 H ALA A 51 -7.745 4.961 27.441 1.00 10.00 H new ATOM 0 HA ALA A 51 -8.136 5.241 30.328 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -5.976 6.462 30.030 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -5.957 4.957 29.081 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -6.244 6.516 28.272 1.00 12.50 H new ATOM 745 N ALA A 52 -8.941 7.731 28.400 1.00 10.00 N ATOM 746 CA ALA A 52 -9.607 9.062 28.432 1.00 10.00 C ATOM 747 C ALA A 52 -11.076 8.901 28.819 1.00 10.00 C ATOM 748 O ALA A 52 -11.616 9.664 29.595 1.00 10.00 O ATOM 749 CB ALA A 52 -9.480 9.603 27.007 1.00 10.00 C ATOM 0 H ALA A 52 -8.790 7.344 27.469 1.00 10.00 H new ATOM 0 HA ALA A 52 -9.157 9.735 29.162 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.949 10.585 26.948 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.426 9.687 26.742 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.975 8.923 26.314 1.00 10.00 H new ATOM 755 N GLU A 53 -11.721 7.903 28.289 1.00 10.00 N ATOM 756 CA GLU A 53 -13.155 7.677 28.626 1.00 10.00 C ATOM 757 C GLU A 53 -13.300 7.428 30.128 1.00 10.00 C ATOM 758 O GLU A 53 -14.261 7.838 30.749 1.00 10.00 O ATOM 759 CB GLU A 53 -13.560 6.435 27.831 1.00 10.00 C ATOM 760 CG GLU A 53 -14.856 5.856 28.404 1.00 10.00 C ATOM 761 CD GLU A 53 -15.196 4.555 27.674 1.00 10.00 C ATOM 762 OE1 GLU A 53 -14.309 3.730 27.531 1.00 10.00 O ATOM 763 OE2 GLU A 53 -16.337 4.407 27.270 1.00 10.00 O ATOM 0 H GLU A 53 -11.318 7.232 27.635 1.00 10.00 H new ATOM 0 HA GLU A 53 -13.782 8.534 28.380 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -13.698 6.693 26.781 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -12.767 5.689 27.874 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -14.743 5.668 29.472 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -15.669 6.573 28.291 1.00 10.00 H new ATOM 770 N ALA A 54 -12.346 6.763 30.713 1.00 10.00 N ATOM 771 CA ALA A 54 -12.417 6.487 32.176 1.00 10.00 C ATOM 772 C ALA A 54 -12.305 7.797 32.961 1.00 10.00 C ATOM 773 O ALA A 54 -12.704 7.883 34.105 1.00 10.00 O ATOM 774 CB ALA A 54 -11.219 5.582 32.469 1.00 50.00 C ATOM 0 H ALA A 54 -11.518 6.397 30.242 1.00 10.00 H new ATOM 0 HA ALA A 54 -13.358 6.019 32.465 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -11.202 5.334 33.530 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -11.303 4.667 31.883 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.298 6.100 32.203 1.00 50.00 H new ATOM 780 N GLN A 55 -11.767 8.819 32.351 1.00 10.00 N ATOM 781 CA GLN A 55 -11.631 10.124 33.060 1.00 10.00 C ATOM 782 C GLN A 55 -12.840 11.015 32.764 1.00 10.00 C ATOM 783 O GLN A 55 -13.181 11.891 33.534 1.00 10.00 O ATOM 784 CB GLN A 55 -10.353 10.748 32.497 1.00 10.00 C ATOM 785 CG GLN A 55 -9.145 9.916 32.928 1.00 10.00 C ATOM 786 CD GLN A 55 -9.149 9.758 34.450 1.00 10.00 C ATOM 787 OE1 GLN A 55 -8.866 10.695 35.171 1.00 10.00 O ATOM 788 NE2 GLN A 55 -9.459 8.604 34.974 1.00 10.00 N ATOM 0 H GLN A 55 -11.416 8.807 31.393 1.00 10.00 H new ATOM 0 HA GLN A 55 -11.584 10.004 34.142 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -10.407 10.794 31.409 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -10.248 11.772 32.854 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -9.176 8.937 32.450 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -8.223 10.400 32.605 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -9.697 7.817 34.370 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -9.464 8.489 35.987 1.00 10.00 H new ATOM 797 N GLY A 56 -13.493 10.800 31.654 1.00 10.00 N ATOM 798 CA GLY A 56 -14.679 11.635 31.313 1.00 10.00 C ATOM 799 C GLY A 56 -14.386 12.452 30.052 1.00 10.00 C ATOM 800 O GLY A 56 -14.975 13.489 29.823 1.00 10.00 O ATOM 0 H GLY A 56 -13.256 10.082 30.969 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -15.550 10.999 31.153 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -14.918 12.301 32.142 1.00 10.00 H new ATOM 804 N TYR A 57 -13.479 11.994 29.231 1.00 10.00 N ATOM 805 CA TYR A 57 -13.154 12.749 27.986 1.00 10.00 C ATOM 806 C TYR A 57 -14.034 12.268 26.829 1.00 10.00 C ATOM 807 O TYR A 57 -13.855 11.183 26.311 1.00 10.00 O ATOM 808 CB TYR A 57 -11.684 12.436 27.699 1.00 10.00 C ATOM 809 CG TYR A 57 -10.846 12.677 28.937 1.00 10.00 C ATOM 810 CD1 TYR A 57 -11.363 13.412 30.012 1.00 10.00 C ATOM 811 CD2 TYR A 57 -9.547 12.160 29.005 1.00 10.00 C ATOM 812 CE1 TYR A 57 -10.579 13.630 31.152 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.765 12.377 30.143 1.00 12.50 C ATOM 814 CZ TYR A 57 -9.280 13.112 31.218 1.00 12.50 C ATOM 815 OH TYR A 57 -8.507 13.327 32.341 1.00 12.50 O ATOM 0 H TYR A 57 -12.951 11.132 29.368 1.00 10.00 H new ATOM 0 HA TYR A 57 -13.330 13.819 28.099 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -11.581 11.399 27.378 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.325 13.060 26.881 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -12.366 13.810 29.962 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -9.148 11.593 28.177 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -10.977 14.198 31.980 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -7.763 11.978 30.193 1.00 12.50 H new ATOM 0 HH TYR A 57 -7.633 12.899 32.224 1.00 12.50 H new ATOM 825 N ASP A 58 -14.980 13.066 26.417 1.00 10.00 N ATOM 826 CA ASP A 58 -15.865 12.651 25.291 1.00 10.00 C ATOM 827 C ASP A 58 -15.262 13.104 23.959 1.00 10.00 C ATOM 828 O ASP A 58 -14.755 14.202 23.838 1.00 10.00 O ATOM 829 CB ASP A 58 -17.193 13.360 25.548 1.00 10.00 C ATOM 830 CG ASP A 58 -18.034 12.531 26.520 1.00 10.00 C ATOM 831 OD1 ASP A 58 -18.386 11.418 26.167 1.00 10.00 O ATOM 832 OD2 ASP A 58 -18.310 13.023 27.602 1.00 10.00 O ATOM 0 H ASP A 58 -15.179 13.986 26.810 1.00 10.00 H new ATOM 0 HA ASP A 58 -15.988 11.569 25.236 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -17.014 14.353 25.961 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -17.732 13.497 24.610 1.00 10.00 H new ATOM 837 N TRP A 59 -15.313 12.270 22.957 1.00 10.00 N ATOM 838 CA TRP A 59 -14.741 12.661 21.637 1.00 10.00 C ATOM 839 C TRP A 59 -15.830 12.644 20.561 1.00 10.00 C ATOM 840 O TRP A 59 -16.806 11.929 20.672 1.00 10.00 O ATOM 841 CB TRP A 59 -13.670 11.611 21.342 1.00 10.00 C ATOM 842 CG TRP A 59 -12.712 11.545 22.487 1.00 10.00 C ATOM 843 CD1 TRP A 59 -12.996 11.035 23.707 1.00 10.00 C ATOM 844 CD2 TRP A 59 -11.326 11.994 22.544 1.00 10.00 C ATOM 845 NE1 TRP A 59 -11.875 11.145 24.510 1.00 50.00 N ATOM 846 CE2 TRP A 59 -10.820 11.729 23.838 1.00 50.00 C ATOM 847 CE3 TRP A 59 -10.468 12.600 21.608 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -9.510 12.052 24.193 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -9.148 12.927 21.962 1.00 50.00 C ATOM 850 CH2 TRP A 59 -8.670 12.654 23.251 1.00 50.00 C ATOM 0 H TRP A 59 -15.725 11.337 22.994 1.00 10.00 H new ATOM 0 HA TRP A 59 -14.327 13.669 21.648 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -14.133 10.637 21.184 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -13.140 11.864 20.424 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -13.943 10.611 24.006 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -11.833 10.833 25.480 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -10.826 12.815 20.612 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -9.147 11.839 25.188 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -8.497 13.392 21.236 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -7.654 12.908 23.516 1.00 50.00 H new ATOM 861 N PRO A 60 -15.618 13.444 19.553 1.00 10.00 N ATOM 862 CA PRO A 60 -16.587 13.541 18.432 1.00 10.00 C ATOM 863 C PRO A 60 -16.543 12.275 17.572 1.00 10.00 C ATOM 864 O PRO A 60 -15.716 11.407 17.768 1.00 10.00 O ATOM 865 CB PRO A 60 -16.099 14.753 17.645 1.00 10.00 C ATOM 866 CG PRO A 60 -14.643 14.865 17.971 1.00 10.00 C ATOM 867 CD PRO A 60 -14.463 14.326 19.365 1.00 10.00 C ATOM 0 HA PRO A 60 -17.620 13.642 18.765 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -16.255 14.617 16.575 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -16.639 15.655 17.934 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -14.043 14.299 17.258 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -14.313 15.902 17.913 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -13.524 13.782 19.465 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -14.447 15.127 20.104 1.00 10.00 H new ATOM 1011 N ALA A 72 -10.977 11.615 15.854 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.643 12.964 15.311 1.00 10.00 C ATOM 1013 C ALA A 72 -9.811 13.753 16.328 1.00 10.00 C ATOM 1014 O ALA A 72 -10.335 14.334 17.256 1.00 10.00 O ATOM 1015 CB ALA A 72 -11.991 13.645 15.074 1.00 10.00 C ATOM 0 HA ALA A 72 -10.053 12.905 14.396 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -11.828 14.645 14.673 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -12.574 13.060 14.363 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -12.534 13.716 16.017 1.00 10.00 H new ATOM 1021 N SER A 73 -8.517 13.776 16.156 1.00 10.00 N ATOM 1022 CA SER A 73 -7.650 14.526 17.109 1.00 10.00 C ATOM 1023 C SER A 73 -6.423 15.079 16.380 1.00 10.00 C ATOM 1024 O SER A 73 -6.165 14.744 15.240 1.00 10.00 O ATOM 1025 CB SER A 73 -7.231 13.497 18.160 1.00 50.00 C ATOM 1026 OG SER A 73 -7.524 13.998 19.455 1.00 50.00 O ATOM 0 H SER A 73 -8.023 13.308 15.396 1.00 10.00 H new ATOM 0 HA SER A 73 -8.166 15.376 17.556 1.00 10.00 H new ATOM 0 HB2 SER A 73 -7.757 12.557 17.994 1.00 50.00 H new ATOM 0 HB3 SER A 73 -6.165 13.285 18.073 1.00 50.00 H new ATOM 0 HG SER A 73 -7.116 14.882 19.564 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.664 15.923 17.023 1.00 10.00 N ATOM 1033 CA ILE A 74 -4.458 16.495 16.359 1.00 10.00 C ATOM 1034 C ILE A 74 -3.249 16.420 17.297 1.00 10.00 C ATOM 1035 O ILE A 74 -2.912 17.375 17.968 1.00 10.00 O ATOM 1036 CB ILE A 74 -4.820 17.950 16.064 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -6.106 17.997 15.234 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.684 18.612 15.283 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -5.868 17.312 13.886 1.00 10.00 C ATOM 0 H ILE A 74 -5.826 16.241 17.978 1.00 10.00 H new ATOM 0 HA ILE A 74 -4.189 15.951 15.454 1.00 10.00 H new ATOM 0 HB ILE A 74 -4.973 18.483 17.002 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -6.915 17.500 15.769 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -6.414 19.031 15.079 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -3.943 19.650 15.073 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -2.769 18.579 15.874 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -3.529 18.080 14.344 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -6.783 17.345 13.295 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -5.071 17.829 13.351 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -5.580 16.274 14.051 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.597 15.291 17.345 1.00 10.00 N ATOM 1052 CA VAL A 75 -1.411 15.151 18.237 1.00 10.00 C ATOM 1053 C VAL A 75 -0.499 16.374 18.104 1.00 10.00 C ATOM 1054 O VAL A 75 0.027 16.652 17.045 1.00 10.00 O ATOM 1055 CB VAL A 75 -0.693 13.897 17.739 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -0.236 14.112 16.296 1.00 50.00 C ATOM 1057 CG2 VAL A 75 0.525 13.621 18.623 1.00 50.00 C ATOM 0 H VAL A 75 -2.834 14.459 16.805 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.691 15.076 19.288 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.374 13.047 17.783 1.00 50.00 H new ATOM 0 HG11 VAL A 75 0.276 13.218 15.940 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -1.103 14.309 15.665 1.00 50.00 H new ATOM 0 HG13 VAL A 75 0.445 14.962 16.253 1.00 50.00 H new ATOM 0 HG21 VAL A 75 1.037 12.727 18.268 1.00 50.00 H new ATOM 0 HG22 VAL A 75 1.206 14.471 18.579 1.00 50.00 H new ATOM 0 HG23 VAL A 75 0.200 13.469 19.652 1.00 50.00 H new ATOM 1067 N LYS A 76 -0.303 17.106 19.168 1.00 10.00 N ATOM 1068 CA LYS A 76 0.582 18.305 19.087 1.00 10.00 C ATOM 1069 C LYS A 76 2.039 17.900 19.336 1.00 10.00 C ATOM 1070 O LYS A 76 2.948 18.689 19.168 1.00 10.00 O ATOM 1071 CB LYS A 76 0.088 19.245 20.188 1.00 25.00 C ATOM 1072 CG LYS A 76 0.515 20.678 19.859 1.00 25.00 C ATOM 1073 CD LYS A 76 -0.615 21.388 19.110 1.00 50.00 C ATOM 1074 CE LYS A 76 -0.019 22.357 18.087 1.00 50.00 C ATOM 1075 NZ LYS A 76 0.432 21.492 16.961 1.00 50.00 N ATOM 0 H LYS A 76 -0.714 16.928 20.084 1.00 10.00 H new ATOM 0 HA LYS A 76 0.546 18.779 18.106 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -0.997 19.187 20.272 1.00 25.00 H new ATOM 0 HB3 LYS A 76 0.499 18.943 21.151 1.00 25.00 H new ATOM 0 HG2 LYS A 76 0.753 21.217 20.776 1.00 25.00 H new ATOM 0 HG3 LYS A 76 1.419 20.669 19.251 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -1.249 20.657 18.608 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -1.248 21.929 19.813 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -0.759 23.085 17.755 1.00 50.00 H new ATOM 0 HE3 LYS A 76 0.813 22.919 18.512 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 1.084 22.027 16.352 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 0.920 20.655 17.340 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -0.392 21.189 16.404 1.00 50.00 H new ATOM 1089 N GLU A 77 2.266 16.678 19.734 1.00 10.00 N ATOM 1090 CA GLU A 77 3.664 16.223 19.993 1.00 10.00 C ATOM 1091 C GLU A 77 3.660 14.802 20.561 1.00 10.00 C ATOM 1092 O GLU A 77 2.825 14.450 21.370 1.00 10.00 O ATOM 1093 CB GLU A 77 4.221 17.209 21.021 1.00 10.00 C ATOM 1094 CG GLU A 77 5.262 18.110 20.354 1.00 10.00 C ATOM 1095 CD GLU A 77 6.651 17.490 20.515 1.00 25.00 C ATOM 1096 OE1 GLU A 77 6.987 17.116 21.626 1.00 25.00 O ATOM 1097 OE2 GLU A 77 7.356 17.399 19.523 1.00 25.00 O ATOM 0 H GLU A 77 1.545 15.974 19.891 1.00 10.00 H new ATOM 0 HA GLU A 77 4.265 16.201 19.084 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.414 17.813 21.435 1.00 10.00 H new ATOM 0 HB3 GLU A 77 4.673 16.667 21.852 1.00 10.00 H new ATOM 0 HG2 GLU A 77 5.028 18.234 19.297 1.00 10.00 H new ATOM 0 HG3 GLU A 77 5.241 19.103 20.803 1.00 10.00 H new ATOM 1104 N GLY A 78 4.587 13.983 20.145 1.00 10.00 N ATOM 1105 CA GLY A 78 4.634 12.588 20.664 1.00 10.00 C ATOM 1106 C GLY A 78 4.257 11.613 19.546 1.00 10.00 C ATOM 1107 O GLY A 78 4.275 11.953 18.380 1.00 10.00 O ATOM 0 H GLY A 78 5.313 14.220 19.469 1.00 10.00 H new ATOM 0 HA2 GLY A 78 5.633 12.361 21.037 1.00 10.00 H new ATOM 0 HA3 GLY A 78 3.948 12.478 21.504 1.00 10.00 H new ATOM 1111 N GLU A 79 3.914 10.402 19.894 1.00 10.00 N ATOM 1112 CA GLU A 79 3.535 9.406 18.850 1.00 10.00 C ATOM 1113 C GLU A 79 2.812 8.219 19.492 1.00 10.00 C ATOM 1114 O GLU A 79 3.071 7.860 20.623 1.00 10.00 O ATOM 1115 CB GLU A 79 4.858 8.959 18.230 1.00 25.00 C ATOM 1116 CG GLU A 79 4.588 7.891 17.169 1.00 25.00 C ATOM 1117 CD GLU A 79 5.918 7.365 16.623 1.00 50.00 C ATOM 1118 OE1 GLU A 79 6.478 6.474 17.240 1.00 50.00 O ATOM 1119 OE2 GLU A 79 6.354 7.863 15.599 1.00 50.00 O ATOM 0 H GLU A 79 3.880 10.060 20.854 1.00 10.00 H new ATOM 0 HA GLU A 79 2.858 9.824 18.105 1.00 10.00 H new ATOM 0 HB2 GLU A 79 5.368 9.811 17.782 1.00 25.00 H new ATOM 0 HB3 GLU A 79 5.518 8.562 19.001 1.00 25.00 H new ATOM 0 HG2 GLU A 79 4.011 7.073 17.600 1.00 25.00 H new ATOM 0 HG3 GLU A 79 3.991 8.311 16.359 1.00 25.00 H new ATOM 1126 N ILE A 80 1.905 7.607 18.780 1.00 10.00 N ATOM 1127 CA ILE A 80 1.167 6.446 19.353 1.00 10.00 C ATOM 1128 C ILE A 80 1.428 5.187 18.521 1.00 10.00 C ATOM 1129 O ILE A 80 1.860 5.258 17.388 1.00 10.00 O ATOM 1130 CB ILE A 80 -0.310 6.837 19.283 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -0.496 8.238 19.871 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -1.139 5.834 20.087 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -1.960 8.660 19.724 1.00 50.00 C ATOM 0 H ILE A 80 1.644 7.861 17.827 1.00 10.00 H new ATOM 0 HA ILE A 80 1.481 6.223 20.373 1.00 10.00 H new ATOM 0 HB ILE A 80 -0.639 6.833 18.244 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -0.208 8.245 20.922 1.00 10.00 H new ATOM 0 HG13 ILE A 80 0.152 8.949 19.358 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -2.192 6.111 20.039 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -1.007 4.836 19.670 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -0.810 5.840 21.126 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -2.095 9.658 20.142 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -2.232 8.669 18.668 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -2.597 7.954 20.257 1.00 50.00 H new ATOM 1145 N ASP A 81 1.167 4.035 19.076 1.00 10.00 N ATOM 1146 CA ASP A 81 1.399 2.771 18.318 1.00 10.00 C ATOM 1147 C ASP A 81 0.111 1.945 18.264 1.00 10.00 C ATOM 1148 O ASP A 81 -0.488 1.646 19.277 1.00 10.00 O ATOM 1149 CB ASP A 81 2.478 2.030 19.108 1.00 10.00 C ATOM 1150 CG ASP A 81 2.584 0.589 18.601 1.00 10.00 C ATOM 1151 OD1 ASP A 81 1.739 -0.210 18.971 1.00 10.00 O ATOM 1152 OD2 ASP A 81 3.506 0.311 17.853 1.00 10.00 O ATOM 0 H ASP A 81 0.803 3.914 20.021 1.00 10.00 H new ATOM 0 HA ASP A 81 1.702 2.955 17.287 1.00 10.00 H new ATOM 0 HB2 ASP A 81 3.437 2.537 18.998 1.00 10.00 H new ATOM 0 HB3 ASP A 81 2.234 2.036 20.170 1.00 10.00 H new ATOM 1157 N MET A 82 -0.321 1.575 17.089 1.00 12.50 N ATOM 1158 CA MET A 82 -1.572 0.770 16.975 1.00 12.50 C ATOM 1159 C MET A 82 -1.262 -0.613 16.398 1.00 12.50 C ATOM 1160 O MET A 82 -0.128 -0.938 16.111 1.00 12.50 O ATOM 1161 CB MET A 82 -2.467 1.562 16.022 1.00 12.50 C ATOM 1162 CG MET A 82 -3.921 1.461 16.486 1.00 12.50 C ATOM 1163 SD MET A 82 -4.876 2.827 15.781 1.00 12.50 S ATOM 1164 CE MET A 82 -6.256 1.839 15.153 1.00 50.00 C ATOM 0 H MET A 82 0.137 1.795 16.204 1.00 12.50 H new ATOM 0 HA MET A 82 -2.049 0.609 17.942 1.00 12.50 H new ATOM 0 HB2 MET A 82 -2.154 2.606 15.995 1.00 12.50 H new ATOM 0 HB3 MET A 82 -2.370 1.174 15.008 1.00 12.50 H new ATOM 0 HG2 MET A 82 -4.347 0.507 16.176 1.00 12.50 H new ATOM 0 HG3 MET A 82 -3.970 1.493 17.574 1.00 12.50 H new ATOM 0 HE1 MET A 82 -6.299 1.922 14.067 1.00 50.00 H new ATOM 0 HE2 MET A 82 -6.112 0.795 15.432 1.00 50.00 H new ATOM 0 HE3 MET A 82 -7.189 2.204 15.582 1.00 50.00 H new ATOM 1174 N ASP A 83 -2.265 -1.431 16.229 1.00 50.00 N ATOM 1175 CA ASP A 83 -2.033 -2.796 15.671 1.00 50.00 C ATOM 1176 C ASP A 83 -2.427 -2.838 14.193 1.00 50.00 C ATOM 1177 O ASP A 83 -2.748 -1.830 13.597 1.00 50.00 O ATOM 1178 CB ASP A 83 -2.938 -3.714 16.494 1.00 50.00 C ATOM 1179 CG ASP A 83 -2.103 -4.840 17.107 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -1.482 -4.601 18.129 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -2.101 -5.923 16.544 1.00 50.00 O ATOM 0 H ASP A 83 -3.236 -1.214 16.453 1.00 50.00 H new ATOM 0 HA ASP A 83 -0.986 -3.095 15.727 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -3.433 -3.144 17.281 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -3.722 -4.131 15.862 1.00 50.00 H new ATOM 1275 N SER A 89 -0.641 7.992 6.680 1.00 12.50 N ATOM 1276 CA SER A 89 0.517 8.565 5.936 1.00 12.50 C ATOM 1277 C SER A 89 1.325 9.493 6.847 1.00 12.50 C ATOM 1278 O SER A 89 0.786 10.149 7.715 1.00 12.50 O ATOM 1279 CB SER A 89 -0.107 9.352 4.783 1.00 12.50 C ATOM 1280 OG SER A 89 -1.151 8.587 4.198 1.00 12.50 O ATOM 0 HA SER A 89 1.203 7.796 5.581 1.00 12.50 H new ATOM 0 HB2 SER A 89 -0.498 10.302 5.147 1.00 12.50 H new ATOM 0 HB3 SER A 89 0.651 9.585 4.035 1.00 12.50 H new ATOM 0 HG SER A 89 -1.626 8.092 4.898 1.00 12.50 H new ATOM 1286 N ASP A 90 2.616 9.551 6.657 1.00 10.00 N ATOM 1287 CA ASP A 90 3.457 10.436 7.513 1.00 10.00 C ATOM 1288 C ASP A 90 3.050 11.898 7.331 1.00 10.00 C ATOM 1289 O ASP A 90 2.846 12.621 8.285 1.00 10.00 O ATOM 1290 CB ASP A 90 4.889 10.214 7.027 1.00 10.00 C ATOM 1291 CG ASP A 90 5.870 10.583 8.141 1.00 10.00 C ATOM 1292 OD1 ASP A 90 6.136 9.734 8.975 1.00 10.00 O ATOM 1293 OD2 ASP A 90 6.337 11.711 8.144 1.00 10.00 O ATOM 0 H ASP A 90 3.124 9.024 5.947 1.00 10.00 H new ATOM 0 HA ASP A 90 3.345 10.208 8.573 1.00 10.00 H new ATOM 0 HB2 ASP A 90 5.028 9.173 6.736 1.00 10.00 H new ATOM 0 HB3 ASP A 90 5.082 10.821 6.142 1.00 10.00 H new ATOM 1298 N GLU A 91 2.931 12.339 6.113 1.00 12.50 N ATOM 1299 CA GLU A 91 2.535 13.756 5.873 1.00 12.50 C ATOM 1300 C GLU A 91 1.221 14.054 6.594 1.00 12.50 C ATOM 1301 O GLU A 91 0.917 15.186 6.914 1.00 12.50 O ATOM 1302 CB GLU A 91 2.360 13.874 4.359 1.00 12.50 C ATOM 1303 CG GLU A 91 3.189 15.054 3.844 1.00 12.50 C ATOM 1304 CD GLU A 91 3.096 15.119 2.318 1.00 50.00 C ATOM 1305 OE1 GLU A 91 2.196 15.781 1.828 1.00 50.00 O ATOM 1306 OE2 GLU A 91 3.925 14.506 1.667 1.00 50.00 O ATOM 0 H GLU A 91 3.090 11.783 5.273 1.00 12.50 H new ATOM 0 HA GLU A 91 3.275 14.464 6.246 1.00 12.50 H new ATOM 0 HB2 GLU A 91 2.677 12.952 3.872 1.00 12.50 H new ATOM 0 HB3 GLU A 91 1.308 14.019 4.113 1.00 12.50 H new ATOM 0 HG2 GLU A 91 2.826 15.985 4.281 1.00 12.50 H new ATOM 0 HG3 GLU A 91 4.229 14.942 4.151 1.00 12.50 H new ATOM 1313 N GLU A 92 0.441 13.043 6.859 1.00 10.00 N ATOM 1314 CA GLU A 92 -0.852 13.264 7.566 1.00 10.00 C ATOM 1315 C GLU A 92 -0.590 13.559 9.045 1.00 10.00 C ATOM 1316 O GLU A 92 -1.188 14.442 9.629 1.00 10.00 O ATOM 1317 CB GLU A 92 -1.621 11.952 7.408 1.00 50.00 C ATOM 1318 CG GLU A 92 -2.772 12.153 6.419 1.00 50.00 C ATOM 1319 CD GLU A 92 -3.928 11.221 6.788 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -3.656 10.126 7.250 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -5.066 11.621 6.602 1.00 50.00 O ATOM 0 H GLU A 92 0.643 12.073 6.617 1.00 10.00 H new ATOM 0 HA GLU A 92 -1.409 14.110 7.162 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -0.954 11.167 7.052 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -2.009 11.627 8.373 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -3.106 13.190 6.439 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -2.434 11.946 5.404 1.00 50.00 H new ATOM 1328 N VAL A 93 0.304 12.829 9.655 1.00 10.00 N ATOM 1329 CA VAL A 93 0.607 13.071 11.094 1.00 10.00 C ATOM 1330 C VAL A 93 1.466 14.333 11.242 1.00 10.00 C ATOM 1331 O VAL A 93 1.543 14.925 12.300 1.00 10.00 O ATOM 1332 CB VAL A 93 1.369 11.818 11.555 1.00 10.00 C ATOM 1333 CG1 VAL A 93 2.867 11.967 11.266 1.00 10.00 C ATOM 1334 CG2 VAL A 93 1.160 11.621 13.058 1.00 10.00 C ATOM 0 H VAL A 93 0.837 12.076 9.219 1.00 10.00 H new ATOM 0 HA VAL A 93 -0.289 13.234 11.693 1.00 10.00 H new ATOM 0 HB VAL A 93 0.989 10.954 11.010 1.00 10.00 H new ATOM 0 HG11 VAL A 93 3.392 11.072 11.598 1.00 10.00 H new ATOM 0 HG12 VAL A 93 3.019 12.101 10.195 1.00 10.00 H new ATOM 0 HG13 VAL A 93 3.256 12.835 11.799 1.00 10.00 H new ATOM 0 HG21 VAL A 93 1.700 10.733 13.387 1.00 10.00 H new ATOM 0 HG22 VAL A 93 1.534 12.493 13.595 1.00 10.00 H new ATOM 0 HG23 VAL A 93 0.097 11.497 13.264 1.00 10.00 H new ATOM 1344 N GLU A 94 2.110 14.746 10.185 1.00 12.50 N ATOM 1345 CA GLU A 94 2.963 15.966 10.257 1.00 12.50 C ATOM 1346 C GLU A 94 2.190 17.183 9.742 1.00 12.50 C ATOM 1347 O GLU A 94 2.387 18.292 10.197 1.00 12.50 O ATOM 1348 CB GLU A 94 4.157 15.666 9.349 1.00 12.50 C ATOM 1349 CG GLU A 94 5.451 16.075 10.055 1.00 12.50 C ATOM 1350 CD GLU A 94 6.606 16.066 9.050 1.00 12.50 C ATOM 1351 OE1 GLU A 94 6.450 15.461 8.002 1.00 12.50 O ATOM 1352 OE2 GLU A 94 7.627 16.665 9.347 1.00 12.50 O ATOM 0 H GLU A 94 2.082 14.290 9.273 1.00 12.50 H new ATOM 0 HA GLU A 94 3.272 16.195 11.277 1.00 12.50 H new ATOM 0 HB2 GLU A 94 4.184 14.604 9.105 1.00 12.50 H new ATOM 0 HB3 GLU A 94 4.057 16.207 8.408 1.00 12.50 H new ATOM 0 HG2 GLU A 94 5.342 17.068 10.491 1.00 12.50 H new ATOM 0 HG3 GLU A 94 5.663 15.389 10.875 1.00 12.50 H new ATOM 1359 N GLU A 95 1.314 16.985 8.795 1.00 12.50 N ATOM 1360 CA GLU A 95 0.532 18.132 8.251 1.00 12.50 C ATOM 1361 C GLU A 95 -0.823 18.239 8.960 1.00 12.50 C ATOM 1362 O GLU A 95 -1.403 19.302 9.049 1.00 12.50 O ATOM 1363 CB GLU A 95 0.336 17.811 6.769 1.00 25.00 C ATOM 1364 CG GLU A 95 -0.049 19.087 6.017 1.00 25.00 C ATOM 1365 CD GLU A 95 0.713 19.150 4.693 1.00 50.00 C ATOM 1366 OE1 GLU A 95 1.130 18.104 4.222 1.00 50.00 O ATOM 1367 OE2 GLU A 95 0.867 20.243 4.172 1.00 50.00 O ATOM 0 H GLU A 95 1.106 16.079 8.375 1.00 12.50 H new ATOM 0 HA GLU A 95 1.042 19.084 8.400 1.00 12.50 H new ATOM 0 HB2 GLU A 95 1.252 17.393 6.352 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -0.442 17.057 6.649 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -1.123 19.102 5.831 1.00 25.00 H new ATOM 0 HG3 GLU A 95 0.182 19.963 6.624 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.332 17.147 9.460 1.00 25.00 N ATOM 1375 CA LYS A 96 -2.650 17.193 10.157 1.00 25.00 C ATOM 1376 C LYS A 96 -2.504 16.759 11.618 1.00 25.00 C ATOM 1377 O LYS A 96 -3.381 16.980 12.429 1.00 25.00 O ATOM 1378 CB LYS A 96 -3.536 16.209 9.392 1.00 25.00 C ATOM 1379 CG LYS A 96 -4.438 16.980 8.428 1.00 25.00 C ATOM 1380 CD LYS A 96 -5.843 16.377 8.451 1.00 25.00 C ATOM 1381 CE LYS A 96 -6.609 16.825 7.205 1.00 25.00 C ATOM 1382 NZ LYS A 96 -7.207 18.138 7.577 1.00 25.00 N ATOM 0 H LYS A 96 -0.894 16.227 9.417 1.00 25.00 H new ATOM 0 HA LYS A 96 -3.070 18.199 10.171 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -2.919 15.500 8.841 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -4.141 15.630 10.089 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -4.477 18.032 8.712 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -4.029 16.938 7.418 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -5.783 15.289 8.483 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -6.372 16.694 9.350 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -5.945 16.922 6.346 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -7.379 16.103 6.933 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -7.750 18.512 6.773 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -7.839 18.013 8.393 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -6.450 18.807 7.825 1.00 25.00 H new ATOM 1396 N ASP A 97 -1.408 16.142 11.960 1.00 10.00 N ATOM 1397 CA ASP A 97 -1.221 15.694 13.371 1.00 10.00 C ATOM 1398 C ASP A 97 -2.374 14.780 13.787 1.00 10.00 C ATOM 1399 O ASP A 97 -2.678 14.639 14.955 1.00 10.00 O ATOM 1400 CB ASP A 97 -1.233 16.980 14.200 1.00 50.00 C ATOM 1401 CG ASP A 97 0.205 17.401 14.512 1.00 50.00 C ATOM 1402 OD1 ASP A 97 1.109 16.839 13.917 1.00 50.00 O ATOM 1403 OD2 ASP A 97 0.377 18.279 15.342 1.00 50.00 O ATOM 0 H ASP A 97 -0.636 15.929 11.328 1.00 10.00 H new ATOM 0 HA ASP A 97 -0.299 15.130 13.508 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -1.745 17.772 13.654 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -1.786 16.823 15.126 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.022 14.159 12.839 1.00 10.00 N ATOM 1409 CA VAL A 98 -4.159 13.256 13.179 1.00 10.00 C ATOM 1410 C VAL A 98 -3.643 11.853 13.512 1.00 10.00 C ATOM 1411 O VAL A 98 -2.531 11.495 13.178 1.00 10.00 O ATOM 1412 CB VAL A 98 -5.028 13.224 11.921 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -4.209 12.679 10.750 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -6.239 12.320 12.161 1.00 50.00 C ATOM 0 H VAL A 98 -2.813 14.238 11.844 1.00 10.00 H new ATOM 0 HA VAL A 98 -4.715 13.603 14.050 1.00 10.00 H new ATOM 0 HB VAL A 98 -5.368 14.233 11.688 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -4.828 12.656 9.853 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -3.346 13.322 10.579 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -3.869 11.670 10.982 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -6.859 12.297 11.265 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -5.899 11.311 12.394 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -6.823 12.708 12.996 1.00 50.00 H new ATOM 1424 N ARG A 99 -4.443 11.056 14.167 1.00 10.00 N ATOM 1425 CA ARG A 99 -3.996 9.677 14.518 1.00 10.00 C ATOM 1426 C ARG A 99 -5.130 8.910 15.206 1.00 10.00 C ATOM 1427 O ARG A 99 -5.654 9.332 16.218 1.00 10.00 O ATOM 1428 CB ARG A 99 -2.822 9.873 15.479 1.00 50.00 C ATOM 1429 CG ARG A 99 -1.581 9.179 14.916 1.00 50.00 C ATOM 1430 CD ARG A 99 -0.942 8.314 16.005 1.00 50.00 C ATOM 1431 NE ARG A 99 0.483 8.748 16.048 1.00 50.00 N ATOM 1432 CZ ARG A 99 1.352 8.214 15.235 1.00 50.00 C ATOM 1433 NH1 ARG A 99 1.482 6.916 15.178 1.00 50.00 N ATOM 1434 NH2 ARG A 99 2.092 8.977 14.478 1.00 50.00 N ATOM 0 H ARG A 99 -5.385 11.299 14.474 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.711 9.100 13.638 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -2.626 10.936 15.618 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -3.068 9.463 16.459 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -1.853 8.562 14.060 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -0.866 9.921 14.560 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -1.431 8.465 16.968 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -1.026 7.253 15.768 1.00 50.00 H new ATOM 0 HE ARG A 99 0.779 9.463 16.713 1.00 50.00 H new ATOM 0 HH11 ARG A 99 0.904 6.319 15.769 1.00 50.00 H new ATOM 0 HH12 ARG A 99 2.162 6.499 14.542 1.00 50.00 H new ATOM 0 HH21 ARG A 99 1.991 9.991 14.522 1.00 50.00 H new ATOM 0 HH22 ARG A 99 2.772 8.559 13.842 1.00 50.00 H new ATOM 1448 N LEU A 100 -5.508 7.784 14.666 1.00 10.00 N ATOM 1449 CA LEU A 100 -6.604 6.988 15.289 1.00 10.00 C ATOM 1450 C LEU A 100 -6.340 6.807 16.786 1.00 10.00 C ATOM 1451 O LEU A 100 -5.319 6.284 17.187 1.00 10.00 O ATOM 1452 CB LEU A 100 -6.568 5.638 14.571 1.00 10.00 C ATOM 1453 CG LEU A 100 -7.305 5.750 13.235 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -6.292 5.715 12.089 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -8.279 4.578 13.089 1.00 10.00 C ATOM 0 H LEU A 100 -5.105 7.380 13.820 1.00 10.00 H new ATOM 0 HA LEU A 100 -7.575 7.475 15.195 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -5.536 5.330 14.404 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -7.033 4.872 15.192 1.00 10.00 H new ATOM 0 HG LEU A 100 -7.858 6.689 13.204 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -6.817 5.795 11.137 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -5.598 6.549 12.192 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -5.739 4.776 12.121 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -8.804 4.658 12.137 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -7.726 3.639 13.121 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -9.001 4.601 13.905 1.00 10.00 H new ATOM 1467 N THR A 101 -7.254 7.235 17.616 1.00 10.00 N ATOM 1468 CA THR A 101 -7.053 7.088 19.088 1.00 10.00 C ATOM 1469 C THR A 101 -7.863 5.902 19.618 1.00 10.00 C ATOM 1470 O THR A 101 -8.285 5.887 20.758 1.00 10.00 O ATOM 1471 CB THR A 101 -7.568 8.397 19.689 1.00 10.00 C ATOM 1472 OG1 THR A 101 -8.903 8.622 19.253 1.00 10.00 O ATOM 1473 CG2 THR A 101 -6.679 9.554 19.235 1.00 10.00 C ATOM 0 H THR A 101 -8.130 7.679 17.339 1.00 10.00 H new ATOM 0 HA THR A 101 -6.010 6.901 19.345 1.00 10.00 H new ATOM 0 HB THR A 101 -7.546 8.332 20.777 1.00 10.00 H new ATOM 0 HG1 THR A 101 -9.236 9.459 19.638 1.00 10.00 H new ATOM 0 HG21 THR A 101 -7.047 10.486 19.664 1.00 10.00 H new ATOM 0 HG22 THR A 101 -5.656 9.380 19.569 1.00 10.00 H new ATOM 0 HG23 THR A 101 -6.698 9.623 18.147 1.00 10.00 H new ATOM 1481 N CYS A 102 -8.082 4.907 18.802 1.00 10.00 N ATOM 1482 CA CYS A 102 -8.865 3.724 19.261 1.00 10.00 C ATOM 1483 C CYS A 102 -7.989 2.469 19.239 1.00 10.00 C ATOM 1484 O CYS A 102 -7.085 2.350 18.436 1.00 10.00 O ATOM 1485 CB CYS A 102 -10.013 3.597 18.260 1.00 10.00 C ATOM 1486 SG CYS A 102 -11.124 5.013 18.441 1.00 10.00 S ATOM 0 H CYS A 102 -7.753 4.862 17.838 1.00 10.00 H new ATOM 0 HA CYS A 102 -9.227 3.839 20.283 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -9.621 3.555 17.244 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -10.558 2.669 18.430 1.00 10.00 H new ATOM 0 HG CYS A 102 -12.101 4.910 17.589 1.00 10.00 H new ATOM 1491 N ILE A 103 -8.253 1.536 20.118 1.00 10.00 N ATOM 1492 CA ILE A 103 -7.442 0.281 20.165 1.00 10.00 C ATOM 1493 C ILE A 103 -5.969 0.584 19.878 1.00 10.00 C ATOM 1494 O ILE A 103 -5.262 -0.214 19.295 1.00 10.00 O ATOM 1495 CB ILE A 103 -8.034 -0.627 19.082 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -7.850 0.018 17.705 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -9.526 -0.834 19.351 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -8.136 -1.020 16.616 1.00 50.00 C ATOM 0 H ILE A 103 -9.001 1.590 20.810 1.00 10.00 H new ATOM 0 HA ILE A 103 -7.477 -0.191 21.147 1.00 10.00 H new ATOM 0 HB ILE A 103 -7.521 -1.589 19.100 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -8.522 0.869 17.597 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -6.834 0.399 17.602 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -9.948 -1.480 18.581 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -9.658 -1.299 20.328 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -10.036 0.129 19.336 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -8.006 -0.563 15.635 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -7.446 -1.857 16.721 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -9.160 -1.379 16.716 1.00 50.00 H new ATOM 1510 N GLY A 104 -5.502 1.734 20.284 1.00 10.00 N ATOM 1511 CA GLY A 104 -4.077 2.089 20.038 1.00 10.00 C ATOM 1512 C GLY A 104 -3.447 2.592 21.339 1.00 10.00 C ATOM 1513 O GLY A 104 -4.099 3.208 22.159 1.00 10.00 O ATOM 0 H GLY A 104 -6.047 2.442 20.775 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -3.532 1.220 19.670 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -4.010 2.857 19.268 1.00 10.00 H new ATOM 1517 N SER A 105 -2.183 2.331 21.535 1.00 10.00 N ATOM 1518 CA SER A 105 -1.512 2.792 22.785 1.00 10.00 C ATOM 1519 C SER A 105 -0.401 3.793 22.454 1.00 10.00 C ATOM 1520 O SER A 105 0.271 3.667 21.450 1.00 10.00 O ATOM 1521 CB SER A 105 -0.924 1.527 23.408 1.00 10.00 C ATOM 1522 OG SER A 105 -0.365 0.712 22.389 1.00 10.00 O ATOM 0 H SER A 105 -1.586 1.819 20.885 1.00 10.00 H new ATOM 0 HA SER A 105 -2.202 3.297 23.460 1.00 10.00 H new ATOM 0 HB2 SER A 105 -0.159 1.791 24.138 1.00 10.00 H new ATOM 0 HB3 SER A 105 -1.699 0.978 23.943 1.00 10.00 H new ATOM 0 HG SER A 105 0.013 -0.099 22.789 1.00 10.00 H new ATOM 1528 N PRO A 106 -0.246 4.756 23.321 1.00 10.00 N ATOM 1529 CA PRO A 106 0.793 5.798 23.130 1.00 10.00 C ATOM 1530 C PRO A 106 2.184 5.224 23.417 1.00 10.00 C ATOM 1531 O PRO A 106 2.340 4.309 24.201 1.00 10.00 O ATOM 1532 CB PRO A 106 0.422 6.864 24.155 1.00 10.00 C ATOM 1533 CG PRO A 106 -0.347 6.136 25.215 1.00 10.00 C ATOM 1534 CD PRO A 106 -1.022 4.965 24.549 1.00 10.00 C ATOM 0 HA PRO A 106 0.830 6.187 22.112 1.00 10.00 H new ATOM 0 HB2 PRO A 106 1.311 7.339 24.569 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -0.179 7.653 23.703 1.00 10.00 H new ATOM 0 HG2 PRO A 106 0.318 5.796 26.009 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -1.084 6.794 25.676 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -1.006 4.081 25.186 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -2.067 5.180 24.328 1.00 10.00 H new ATOM 1542 N ALA A 107 3.197 5.753 22.786 1.00 10.00 N ATOM 1543 CA ALA A 107 4.576 5.237 23.023 1.00 10.00 C ATOM 1544 C ALA A 107 5.437 6.303 23.702 1.00 10.00 C ATOM 1545 O ALA A 107 5.961 6.102 24.780 1.00 10.00 O ATOM 1546 CB ALA A 107 5.124 4.914 21.633 1.00 50.00 C ATOM 0 H ALA A 107 3.130 6.520 22.117 1.00 10.00 H new ATOM 0 HA ALA A 107 4.579 4.365 23.677 1.00 10.00 H new ATOM 0 HB1 ALA A 107 6.139 4.527 21.723 1.00 50.00 H new ATOM 0 HB2 ALA A 107 4.491 4.165 21.158 1.00 50.00 H new ATOM 0 HB3 ALA A 107 5.133 5.819 21.026 1.00 50.00 H new ATOM 1552 N ALA A 108 5.587 7.434 23.077 1.00 10.00 N ATOM 1553 CA ALA A 108 6.414 8.519 23.678 1.00 10.00 C ATOM 1554 C ALA A 108 5.964 8.798 25.114 1.00 10.00 C ATOM 1555 O ALA A 108 4.787 8.908 25.395 1.00 10.00 O ATOM 1556 CB ALA A 108 6.166 9.740 22.793 1.00 50.00 C ATOM 0 H ALA A 108 5.172 7.657 22.172 1.00 10.00 H new ATOM 0 HA ALA A 108 7.470 8.254 23.724 1.00 10.00 H new ATOM 0 HB1 ALA A 108 6.741 10.586 23.170 1.00 50.00 H new ATOM 0 HB2 ALA A 108 6.474 9.518 21.771 1.00 50.00 H new ATOM 0 HB3 ALA A 108 5.105 9.989 22.805 1.00 50.00 H new ATOM 1562 N ASP A 109 6.892 8.919 26.025 1.00 50.00 N ATOM 1563 CA ASP A 109 6.513 9.197 27.440 1.00 50.00 C ATOM 1564 C ASP A 109 5.430 10.277 27.488 1.00 50.00 C ATOM 1565 O ASP A 109 4.294 10.017 27.833 1.00 50.00 O ATOM 1566 CB ASP A 109 7.798 9.693 28.105 1.00 50.00 C ATOM 1567 CG ASP A 109 7.763 9.360 29.598 1.00 50.00 C ATOM 1568 OD1 ASP A 109 6.708 8.974 30.074 1.00 50.00 O ATOM 1569 OD2 ASP A 109 8.792 9.497 30.240 1.00 50.00 O ATOM 0 H ASP A 109 7.894 8.838 25.851 1.00 50.00 H new ATOM 0 HA ASP A 109 6.110 8.318 27.943 1.00 50.00 H new ATOM 0 HB2 ASP A 109 8.665 9.226 27.638 1.00 50.00 H new ATOM 0 HB3 ASP A 109 7.901 10.769 27.964 1.00 50.00 H new ATOM 1574 N GLU A 110 5.771 11.487 27.138 1.00 10.00 N ATOM 1575 CA GLU A 110 4.760 12.582 27.157 1.00 10.00 C ATOM 1576 C GLU A 110 4.251 12.847 25.739 1.00 10.00 C ATOM 1577 O GLU A 110 5.020 13.019 24.815 1.00 10.00 O ATOM 1578 CB GLU A 110 5.507 13.801 27.700 1.00 10.00 C ATOM 1579 CG GLU A 110 5.594 13.706 29.225 1.00 10.00 C ATOM 1580 CD GLU A 110 6.896 13.005 29.619 1.00 50.00 C ATOM 1581 OE1 GLU A 110 6.891 11.788 29.695 1.00 50.00 O ATOM 1582 OE2 GLU A 110 7.875 13.698 29.840 1.00 50.00 O ATOM 0 H GLU A 110 6.706 11.765 26.840 1.00 10.00 H new ATOM 0 HA GLU A 110 3.890 12.336 27.767 1.00 10.00 H new ATOM 0 HB2 GLU A 110 6.507 13.850 27.270 1.00 10.00 H new ATOM 0 HB3 GLU A 110 4.991 14.716 27.410 1.00 10.00 H new ATOM 0 HG2 GLU A 110 5.558 14.703 29.665 1.00 10.00 H new ATOM 0 HG3 GLU A 110 4.739 13.154 29.615 1.00 10.00 H new ATOM 1589 N VAL A 111 2.959 12.872 25.556 1.00 10.00 N ATOM 1590 CA VAL A 111 2.404 13.117 24.193 1.00 10.00 C ATOM 1591 C VAL A 111 1.309 14.187 24.244 1.00 10.00 C ATOM 1592 O VAL A 111 0.453 14.173 25.107 1.00 10.00 O ATOM 1593 CB VAL A 111 1.819 11.771 23.765 1.00 12.50 C ATOM 1594 CG1 VAL A 111 1.234 11.892 22.357 1.00 12.50 C ATOM 1595 CG2 VAL A 111 2.923 10.712 23.770 1.00 12.50 C ATOM 0 H VAL A 111 2.264 12.734 26.290 1.00 10.00 H new ATOM 0 HA VAL A 111 3.161 13.478 23.497 1.00 10.00 H new ATOM 0 HB VAL A 111 1.032 11.479 24.460 1.00 12.50 H new ATOM 0 HG11 VAL A 111 0.817 10.932 22.052 1.00 12.50 H new ATOM 0 HG12 VAL A 111 0.448 12.647 22.353 1.00 12.50 H new ATOM 0 HG13 VAL A 111 2.020 12.184 21.660 1.00 12.50 H new ATOM 0 HG21 VAL A 111 2.507 9.752 23.465 1.00 12.50 H new ATOM 0 HG22 VAL A 111 3.710 11.004 23.075 1.00 12.50 H new ATOM 0 HG23 VAL A 111 3.339 10.625 24.774 1.00 12.50 H new ATOM 1605 N LYS A 112 1.330 15.112 23.324 1.00 10.00 N ATOM 1606 CA LYS A 112 0.290 16.182 23.314 1.00 10.00 C ATOM 1607 C LYS A 112 -0.687 15.953 22.160 1.00 10.00 C ATOM 1608 O LYS A 112 -0.311 15.506 21.096 1.00 10.00 O ATOM 1609 CB LYS A 112 1.061 17.486 23.109 1.00 25.00 C ATOM 1610 CG LYS A 112 2.272 17.518 24.041 1.00 25.00 C ATOM 1611 CD LYS A 112 3.126 18.747 23.723 1.00 25.00 C ATOM 1612 CE LYS A 112 3.486 19.468 25.024 1.00 25.00 C ATOM 1613 NZ LYS A 112 4.326 20.622 24.600 1.00 25.00 N ATOM 0 H LYS A 112 2.023 15.174 22.578 1.00 10.00 H new ATOM 0 HA LYS A 112 -0.296 16.196 24.233 1.00 10.00 H new ATOM 0 HB2 LYS A 112 1.386 17.569 22.072 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.413 18.339 23.309 1.00 25.00 H new ATOM 0 HG2 LYS A 112 1.944 17.548 25.080 1.00 25.00 H new ATOM 0 HG3 LYS A 112 2.862 16.610 23.919 1.00 25.00 H new ATOM 0 HD2 LYS A 112 4.033 18.447 23.198 1.00 25.00 H new ATOM 0 HD3 LYS A 112 2.582 19.420 23.060 1.00 25.00 H new ATOM 0 HE2 LYS A 112 2.592 19.802 25.551 1.00 25.00 H new ATOM 0 HE3 LYS A 112 4.030 18.811 25.703 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 4.614 21.168 25.437 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 5.172 20.273 24.106 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 3.779 21.233 23.960 1.00 25.00 H new ATOM 1627 N ILE A 113 -1.940 16.255 22.362 1.00 10.00 N ATOM 1628 CA ILE A 113 -2.938 16.055 21.275 1.00 10.00 C ATOM 1629 C ILE A 113 -4.186 16.902 21.531 1.00 10.00 C ATOM 1630 O ILE A 113 -4.581 17.121 22.658 1.00 10.00 O ATOM 1631 CB ILE A 113 -3.285 14.567 21.327 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -4.219 14.218 20.168 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -3.980 14.257 22.654 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -3.660 13.013 19.408 1.00 10.00 C ATOM 0 H ILE A 113 -2.315 16.631 23.233 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.549 16.353 20.302 1.00 10.00 H new ATOM 0 HB ILE A 113 -2.372 13.977 21.245 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.216 13.993 20.546 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -4.318 15.071 19.497 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -4.229 13.197 22.695 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -3.314 14.506 23.480 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.893 14.848 22.733 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -4.325 12.764 18.581 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -2.672 13.256 19.018 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -3.584 12.160 20.083 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.816 17.370 20.489 1.00 10.00 N ATOM 1647 CA VAL A 114 -6.047 18.191 20.669 1.00 10.00 C ATOM 1648 C VAL A 114 -7.282 17.292 20.575 1.00 10.00 C ATOM 1649 O VAL A 114 -7.436 16.537 19.635 1.00 10.00 O ATOM 1650 CB VAL A 114 -6.028 19.198 19.518 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -7.023 20.323 19.809 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -4.623 19.786 19.372 1.00 50.00 C ATOM 0 H VAL A 114 -4.532 17.220 19.521 1.00 10.00 H new ATOM 0 HA VAL A 114 -6.079 18.689 21.638 1.00 10.00 H new ATOM 0 HB VAL A 114 -6.307 18.694 18.593 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -7.010 21.041 18.989 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -8.025 19.906 19.910 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -6.744 20.825 20.735 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -4.612 20.503 18.551 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -4.341 20.289 20.297 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -3.913 18.985 19.164 1.00 50.00 H new ATOM 1662 N TYR A 115 -8.157 17.357 21.542 1.00 10.00 N ATOM 1663 CA TYR A 115 -9.372 16.493 21.499 1.00 10.00 C ATOM 1664 C TYR A 115 -10.546 17.262 20.873 1.00 10.00 C ATOM 1665 O TYR A 115 -10.591 18.476 20.899 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.636 16.109 22.971 1.00 50.00 C ATOM 1667 CG TYR A 115 -10.849 16.830 23.522 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -10.706 18.090 24.111 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -12.114 16.236 23.438 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -11.828 18.759 24.616 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -13.236 16.905 23.943 1.00 50.00 C ATOM 1672 CZ TYR A 115 -13.092 18.166 24.532 1.00 50.00 C ATOM 1673 OH TYR A 115 -14.198 18.825 25.029 1.00 50.00 O ATOM 0 H TYR A 115 -8.084 17.967 22.356 1.00 10.00 H new ATOM 0 HA TYR A 115 -9.243 15.603 20.883 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -9.786 15.032 23.046 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -8.761 16.352 23.574 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -9.730 18.548 24.177 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -12.225 15.262 22.984 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -11.717 19.733 25.070 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -14.212 16.448 23.878 1.00 50.00 H new ATOM 0 HH TYR A 115 -13.912 19.634 25.502 1.00 50.00 H new ATOM 1683 N ASN A 116 -11.496 16.560 20.312 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.666 17.242 19.683 1.00 10.00 C ATOM 1685 C ASN A 116 -12.242 17.950 18.395 1.00 10.00 C ATOM 1686 O ASN A 116 -12.516 19.117 18.196 1.00 10.00 O ATOM 1687 CB ASN A 116 -13.152 18.255 20.722 1.00 10.00 C ATOM 1688 CG ASN A 116 -14.631 18.009 21.025 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -15.258 17.166 20.415 1.00 10.00 O ATOM 1690 ND2 ASN A 116 -15.220 18.716 21.949 1.00 10.00 N ATOM 0 H ASN A 116 -11.512 15.541 20.262 1.00 10.00 H new ATOM 0 HA ASN A 116 -13.451 16.536 19.410 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -12.563 18.166 21.635 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -13.010 19.270 20.350 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -16.206 18.561 22.159 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -14.695 19.424 22.462 1.00 10.00 H new ATOM 1697 N ALA A 117 -11.579 17.250 17.515 1.00 10.00 N ATOM 1698 CA ALA A 117 -11.139 17.881 16.237 1.00 10.00 C ATOM 1699 C ALA A 117 -12.356 18.325 15.422 1.00 10.00 C ATOM 1700 O ALA A 117 -12.263 19.180 14.565 1.00 10.00 O ATOM 1701 CB ALA A 117 -10.370 16.785 15.498 1.00 50.00 C ATOM 0 H ALA A 117 -11.323 16.269 17.625 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.526 18.767 16.403 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -10.012 17.172 14.544 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -9.521 16.466 16.102 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -11.029 15.935 15.321 1.00 50.00 H new ATOM 1707 N LYS A 118 -13.499 17.755 15.687 1.00 12.50 N ATOM 1708 CA LYS A 118 -14.719 18.153 14.930 1.00 12.50 C ATOM 1709 C LYS A 118 -14.779 19.677 14.806 1.00 12.50 C ATOM 1710 O LYS A 118 -15.361 20.215 13.885 1.00 12.50 O ATOM 1711 CB LYS A 118 -15.888 17.630 15.763 1.00 12.50 C ATOM 1712 CG LYS A 118 -15.884 18.310 17.134 1.00 12.50 C ATOM 1713 CD LYS A 118 -16.925 19.431 17.151 1.00 12.50 C ATOM 1714 CE LYS A 118 -18.289 18.864 16.754 1.00 50.00 C ATOM 1715 NZ LYS A 118 -19.267 19.573 17.625 1.00 50.00 N ATOM 0 H LYS A 118 -13.641 17.033 16.393 1.00 12.50 H new ATOM 0 HA LYS A 118 -14.734 17.750 13.917 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -16.830 17.827 15.251 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -15.809 16.549 15.881 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -16.106 17.581 17.914 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -14.895 18.715 17.348 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -16.979 19.877 18.144 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -16.634 20.223 16.462 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -18.499 19.041 15.699 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -18.329 17.786 16.910 1.00 50.00 H new ATOM 0 HZ1 LYS A 118 -20.228 19.238 17.412 1.00 50.00 H new ATOM 0 HZ2 LYS A 118 -19.046 19.381 18.623 1.00 50.00 H new ATOM 0 HZ3 LYS A 118 -19.210 20.596 17.449 1.00 50.00 H new ATOM 1726 N HIS A 119 -14.174 20.376 15.727 1.00 50.00 N ATOM 1727 CA HIS A 119 -14.186 21.865 15.665 1.00 50.00 C ATOM 1728 C HIS A 119 -13.423 22.345 14.428 1.00 50.00 C ATOM 1729 O HIS A 119 -13.573 23.469 13.992 1.00 50.00 O ATOM 1730 CB HIS A 119 -13.471 22.318 16.939 1.00 50.00 C ATOM 1731 CG HIS A 119 -14.297 21.948 18.138 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -15.651 22.234 18.221 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -13.975 21.315 19.313 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -16.089 21.779 19.408 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -15.108 21.209 20.114 1.00 50.00 N ATOM 0 H HIS A 119 -13.671 19.980 16.521 1.00 50.00 H new ATOM 0 HA HIS A 119 -15.196 22.269 15.596 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -12.489 21.850 17.003 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -13.310 23.396 16.914 1.00 50.00 H new ATOM 0 HD1 HIS A 119 -16.213 22.704 17.511 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -12.992 20.954 19.576 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -17.110 21.864 19.750 1.00 50.00 H new ATOM 1743 N LEU A 120 -12.604 21.498 13.864 1.00 12.50 N ATOM 1744 CA LEU A 120 -11.824 21.898 12.655 1.00 12.50 C ATOM 1745 C LEU A 120 -12.694 22.731 11.707 1.00 12.50 C ATOM 1746 O LEU A 120 -13.730 22.290 11.250 1.00 12.50 O ATOM 1747 CB LEU A 120 -11.425 20.579 11.991 1.00 12.50 C ATOM 1748 CG LEU A 120 -9.901 20.506 11.875 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -9.388 19.291 12.651 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -9.506 20.375 10.403 1.00 12.50 C ATOM 0 H LEU A 120 -12.441 20.545 14.188 1.00 12.50 H new ATOM 0 HA LEU A 120 -10.959 22.510 12.909 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -11.796 19.738 12.577 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -11.879 20.505 11.003 1.00 12.50 H new ATOM 0 HG LEU A 120 -9.462 21.414 12.289 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -8.302 19.239 12.569 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -9.668 19.385 13.700 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -9.827 18.383 12.238 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -8.420 20.323 10.321 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -9.945 19.468 9.988 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -9.871 21.241 9.850 1.00 12.50 H new