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 7 ASN : amide:sc= -6.63! C(o=-8.8!,f=-7.7!) USER MOD Set 1.2: A 10 THR OG1 : rot -40:sc= -0.206 USER MOD Set 1.3: A 115 TYR OH : rot -13:sc= 0.394 USER MOD Set 1.4: A 116 ASN : amide:sc= -0.978 K(o=-8.8,f=-10) USER MOD Set 1.5: A 119 HIS : no HE2:sc= -1.38 X(o=-8.8,f=-9.2) USER MOD Set 2.1: A 5 TYR OH : rot 9:sc= 0.592! USER MOD Set 2.2: A 57 TYR OH : rot -56:sc= 2.18 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 165:sc= -2.23! USER MOD Single : A 14 GLN : amide:sc= -4.72! C(o=-4.7!,f=-2.7!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 136:sc= 0.541 (180deg=0.00257) USER MOD Single : A 37 TYR OH : rot 100:sc= 0.937 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 137:sc= -12.3! (180deg=-17!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0749 X(o=-0.075,f=-0.39) USER MOD Single : A 73 SER OG : rot 100:sc= -0.603 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -121:sc=-0.000986 (180deg=-0.0164) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -34:sc= 0.547 USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00176 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 3.344 6.600 30.653 1.00 3.92 N ATOM 2 CA PRO A 1 2.209 6.797 29.710 1.00 3.44 C ATOM 3 C PRO A 1 1.451 8.085 30.049 1.00 3.50 C ATOM 4 O PRO A 1 0.266 8.066 30.318 1.00 4.94 O ATOM 5 CB PRO A 1 1.327 5.575 29.936 1.00 2.00 C ATOM 6 CG PRO A 1 1.643 5.126 31.325 1.00 4.99 C ATOM 7 CD PRO A 1 3.073 5.512 31.597 1.00 3.38 C ATOM 0 H2 PRO A 1 3.515 7.464 31.167 1.00 3.92 H new ATOM 0 H3 PRO A 1 4.193 6.393 30.127 1.00 3.92 H new ATOM 0 HA PRO A 1 2.531 6.894 28.673 1.00 3.44 H new ATOM 0 HB2 PRO A 1 0.271 5.825 29.832 1.00 2.00 H new ATOM 0 HB3 PRO A 1 1.542 4.792 29.209 1.00 2.00 H new ATOM 0 HG2 PRO A 1 0.973 5.597 32.044 1.00 4.99 H new ATOM 0 HG3 PRO A 1 1.509 4.049 31.422 1.00 4.99 H new ATOM 0 HD2 PRO A 1 3.207 5.838 32.628 1.00 3.38 H new ATOM 0 HD3 PRO A 1 3.748 4.671 31.439 1.00 3.38 H new ATOM 17 N THR A 2 2.127 9.201 30.036 1.00 3.08 N ATOM 18 CA THR A 2 1.447 10.489 30.357 1.00 2.08 C ATOM 19 C THR A 2 1.165 11.271 29.072 1.00 2.52 C ATOM 20 O THR A 2 2.070 11.655 28.357 1.00 2.28 O ATOM 21 CB THR A 2 2.436 11.250 31.243 1.00 3.47 C ATOM 22 OG1 THR A 2 2.543 10.595 32.498 1.00 3.73 O ATOM 23 CG2 THR A 2 1.941 12.682 31.450 1.00 3.09 C ATOM 0 H THR A 2 3.120 9.277 29.817 1.00 3.08 H new ATOM 0 HA THR A 2 0.489 10.338 30.854 1.00 2.08 H new ATOM 0 HB THR A 2 3.414 11.274 30.762 1.00 3.47 H new ATOM 0 HG1 THR A 2 3.177 11.079 33.067 1.00 3.73 H new ATOM 0 HG21 THR A 2 2.646 13.223 32.081 1.00 3.09 H new ATOM 0 HG22 THR A 2 1.860 13.182 30.485 1.00 3.09 H new ATOM 0 HG23 THR A 2 0.963 12.663 31.932 1.00 3.09 H new ATOM 31 N VAL A 3 -0.081 11.509 28.773 1.00 10.00 N ATOM 32 CA VAL A 3 -0.418 12.265 27.533 1.00 10.00 C ATOM 33 C VAL A 3 -1.006 13.632 27.889 1.00 10.00 C ATOM 34 O VAL A 3 -1.333 13.902 29.027 1.00 10.00 O ATOM 35 CB VAL A 3 -1.458 11.402 26.816 1.00 10.00 C ATOM 36 CG1 VAL A 3 -1.967 12.141 25.576 1.00 10.00 C ATOM 37 CG2 VAL A 3 -0.816 10.079 26.392 1.00 10.00 C ATOM 0 H VAL A 3 -0.881 11.213 29.333 1.00 10.00 H new ATOM 0 HA VAL A 3 0.457 12.451 26.911 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.292 11.203 27.489 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.708 11.526 25.065 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.423 13.084 25.876 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.133 12.339 24.903 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.556 9.463 25.881 1.00 10.00 H new ATOM 0 HG22 VAL A 3 0.018 10.278 25.719 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -0.452 9.552 27.274 1.00 10.00 H new ATOM 47 N GLU A 4 -1.139 14.498 26.922 1.00 10.00 N ATOM 48 CA GLU A 4 -1.706 15.850 27.200 1.00 10.00 C ATOM 49 C GLU A 4 -2.805 16.171 26.184 1.00 10.00 C ATOM 50 O GLU A 4 -2.536 16.436 25.030 1.00 10.00 O ATOM 51 CB GLU A 4 -0.527 16.811 27.041 1.00 50.00 C ATOM 52 CG GLU A 4 -0.764 18.060 27.892 1.00 50.00 C ATOM 53 CD GLU A 4 0.567 18.775 28.128 1.00 50.00 C ATOM 54 OE1 GLU A 4 1.517 18.109 28.507 1.00 50.00 O ATOM 55 OE2 GLU A 4 0.616 19.977 27.926 1.00 50.00 O ATOM 0 H GLU A 4 -0.880 14.328 25.950 1.00 10.00 H new ATOM 0 HA GLU A 4 -2.155 15.921 28.190 1.00 10.00 H new ATOM 0 HB2 GLU A 4 0.398 16.321 27.346 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -0.410 17.089 25.994 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -1.464 18.728 27.390 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -1.215 17.784 28.845 1.00 50.00 H new ATOM 62 N TYR A 5 -4.043 16.144 26.599 1.00 10.00 N ATOM 63 CA TYR A 5 -5.150 16.441 25.645 1.00 10.00 C ATOM 64 C TYR A 5 -5.510 17.930 25.679 1.00 10.00 C ATOM 65 O TYR A 5 -5.509 18.557 26.721 1.00 10.00 O ATOM 66 CB TYR A 5 -6.328 15.592 26.125 1.00 10.00 C ATOM 67 CG TYR A 5 -6.780 16.071 27.483 1.00 10.00 C ATOM 68 CD1 TYR A 5 -7.637 17.173 27.587 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.345 15.410 28.638 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.058 17.615 28.846 1.00 50.00 C ATOM 71 CE2 TYR A 5 -6.766 15.852 29.898 1.00 50.00 C ATOM 72 CZ TYR A 5 -7.622 16.955 30.002 1.00 50.00 C ATOM 73 OH TYR A 5 -8.039 17.390 31.244 1.00 50.00 O ATOM 0 H TYR A 5 -4.335 15.930 27.553 1.00 10.00 H new ATOM 0 HA TYR A 5 -4.873 16.212 24.616 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -7.151 15.658 25.413 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -6.036 14.543 26.177 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -7.973 17.682 26.696 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -5.685 14.559 28.557 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -8.719 18.465 28.927 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -6.431 15.342 30.789 1.00 50.00 H new ATOM 0 HH TYR A 5 -8.740 18.066 31.135 1.00 50.00 H new ATOM 83 N LEU A 6 -5.819 18.494 24.544 1.00 10.00 N ATOM 84 CA LEU A 6 -6.184 19.939 24.492 1.00 10.00 C ATOM 85 C LEU A 6 -7.458 20.124 23.660 1.00 10.00 C ATOM 86 O LEU A 6 -7.549 19.656 22.543 1.00 10.00 O ATOM 87 CB LEU A 6 -4.996 20.622 23.810 1.00 12.50 C ATOM 88 CG LEU A 6 -4.624 21.900 24.566 1.00 12.50 C ATOM 89 CD1 LEU A 6 -3.677 22.742 23.710 1.00 50.00 C ATOM 90 CD2 LEU A 6 -5.887 22.709 24.864 1.00 50.00 C ATOM 0 H LEU A 6 -5.835 18.013 23.644 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.381 20.356 25.480 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.143 19.944 23.782 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.247 20.861 22.777 1.00 12.50 H new ATOM 0 HG LEU A 6 -4.134 21.633 25.502 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -3.412 23.652 24.248 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -2.774 22.170 23.497 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -4.169 23.005 22.774 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -5.618 23.618 25.402 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.379 22.974 23.928 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -6.565 22.113 25.475 1.00 50.00 H new ATOM 102 N ASN A 7 -8.441 20.797 24.191 1.00 10.00 N ATOM 103 CA ASN A 7 -9.702 21.000 23.420 1.00 10.00 C ATOM 104 C ASN A 7 -9.437 21.862 22.183 1.00 10.00 C ATOM 105 O ASN A 7 -9.061 23.011 22.289 1.00 10.00 O ATOM 106 CB ASN A 7 -10.643 21.731 24.376 1.00 10.00 C ATOM 107 CG ASN A 7 -12.064 21.716 23.804 1.00 10.00 C ATOM 108 OD1 ASN A 7 -12.492 20.732 23.235 1.00 12.50 O ATOM 109 ND2 ASN A 7 -12.816 22.775 23.932 1.00 12.50 N ATOM 0 H ASN A 7 -8.427 21.214 25.122 1.00 10.00 H new ATOM 0 HA ASN A 7 -10.121 20.056 23.071 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -10.628 21.252 25.355 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -10.308 22.758 24.519 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -13.763 22.776 23.554 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -12.456 23.601 24.410 1.00 12.50 H new ATOM 116 N TYR A 8 -9.638 21.321 21.013 1.00 50.00 N ATOM 117 CA TYR A 8 -9.404 22.125 19.781 1.00 50.00 C ATOM 118 C TYR A 8 -10.288 23.374 19.808 1.00 50.00 C ATOM 119 O TYR A 8 -9.938 24.408 19.274 1.00 50.00 O ATOM 120 CB TYR A 8 -9.798 21.211 18.622 1.00 50.00 C ATOM 121 CG TYR A 8 -9.752 21.991 17.329 1.00 50.00 C ATOM 122 CD1 TYR A 8 -10.840 22.789 16.955 1.00 50.00 C ATOM 123 CD2 TYR A 8 -8.622 21.916 16.507 1.00 50.00 C ATOM 124 CE1 TYR A 8 -10.796 23.513 15.758 1.00 50.00 C ATOM 125 CE2 TYR A 8 -8.579 22.641 15.309 1.00 50.00 C ATOM 126 CZ TYR A 8 -9.667 23.438 14.935 1.00 50.00 C ATOM 127 OH TYR A 8 -9.625 24.151 13.754 1.00 50.00 O ATOM 0 H TYR A 8 -9.952 20.363 20.857 1.00 50.00 H new ATOM 0 HA TYR A 8 -8.371 22.460 19.691 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -9.120 20.359 18.570 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -10.799 20.812 18.783 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -11.712 22.846 17.589 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -7.784 21.300 16.796 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -11.634 24.130 15.469 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -7.707 22.585 14.674 1.00 50.00 H new ATOM 0 HH TYR A 8 -8.702 24.185 13.425 1.00 50.00 H new ATOM 137 N GLU A 9 -11.432 23.285 20.432 1.00 25.00 N ATOM 138 CA GLU A 9 -12.337 24.468 20.500 1.00 25.00 C ATOM 139 C GLU A 9 -11.678 25.579 21.320 1.00 25.00 C ATOM 140 O GLU A 9 -11.762 26.744 20.985 1.00 25.00 O ATOM 141 CB GLU A 9 -13.602 23.964 21.196 1.00 50.00 C ATOM 142 CG GLU A 9 -14.812 24.753 20.687 1.00 50.00 C ATOM 143 CD GLU A 9 -15.932 24.697 21.727 1.00 50.00 C ATOM 144 OE1 GLU A 9 -15.661 24.995 22.879 1.00 50.00 O ATOM 145 OE2 GLU A 9 -17.043 24.357 21.354 1.00 50.00 O ATOM 0 H GLU A 9 -11.778 22.446 20.897 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.556 24.881 19.515 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.739 22.901 21.000 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -13.507 24.079 22.276 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -14.530 25.788 20.496 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -15.159 24.337 19.741 1.00 50.00 H new ATOM 152 N THR A 10 -11.014 25.229 22.389 1.00 50.00 N ATOM 153 CA THR A 10 -10.342 26.268 23.218 1.00 50.00 C ATOM 154 C THR A 10 -9.379 27.070 22.345 1.00 50.00 C ATOM 155 O THR A 10 -9.186 28.254 22.536 1.00 50.00 O ATOM 156 CB THR A 10 -9.580 25.490 24.293 1.00 50.00 C ATOM 157 OG1 THR A 10 -10.491 25.048 25.289 1.00 50.00 O ATOM 158 CG2 THR A 10 -8.523 26.394 24.929 1.00 50.00 C ATOM 0 H THR A 10 -10.909 24.271 22.722 1.00 50.00 H new ATOM 0 HA THR A 10 -11.045 26.975 23.660 1.00 50.00 H new ATOM 0 HB THR A 10 -9.090 24.628 23.840 1.00 50.00 H new ATOM 0 HG1 THR A 10 -11.146 25.754 25.470 1.00 50.00 H new ATOM 0 HG21 THR A 10 -7.982 25.838 25.694 1.00 50.00 H new ATOM 0 HG22 THR A 10 -7.825 26.732 24.163 1.00 50.00 H new ATOM 0 HG23 THR A 10 -9.009 27.258 25.383 1.00 50.00 H new ATOM 166 N LEU A 11 -8.784 26.431 21.374 1.00 50.00 N ATOM 167 CA LEU A 11 -7.843 27.153 20.474 1.00 50.00 C ATOM 168 C LEU A 11 -8.590 28.282 19.761 1.00 50.00 C ATOM 169 O LEU A 11 -8.101 29.386 19.637 1.00 50.00 O ATOM 170 CB LEU A 11 -7.370 26.100 19.471 1.00 50.00 C ATOM 171 CG LEU A 11 -5.895 26.333 19.143 1.00 50.00 C ATOM 172 CD1 LEU A 11 -5.397 25.219 18.221 1.00 50.00 C ATOM 173 CD2 LEU A 11 -5.736 27.684 18.443 1.00 50.00 C ATOM 0 H LEU A 11 -8.910 25.440 21.166 1.00 50.00 H new ATOM 0 HA LEU A 11 -7.006 27.603 21.008 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -7.508 25.101 19.884 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -7.969 26.154 18.562 1.00 50.00 H new ATOM 0 HG LEU A 11 -5.312 26.330 20.064 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -4.345 25.384 17.986 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -5.511 24.256 18.719 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -5.979 25.222 17.300 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -4.685 27.851 18.209 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -6.318 27.687 17.521 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -6.092 28.478 19.099 1.00 50.00 H new ATOM 185 N ASP A 12 -9.780 28.008 19.299 1.00 50.00 N ATOM 186 CA ASP A 12 -10.572 29.059 18.601 1.00 50.00 C ATOM 187 C ASP A 12 -11.230 29.982 19.629 1.00 50.00 C ATOM 188 O ASP A 12 -11.315 31.179 19.441 1.00 50.00 O ATOM 189 CB ASP A 12 -11.635 28.294 17.811 1.00 50.00 C ATOM 190 CG ASP A 12 -10.955 27.326 16.840 1.00 50.00 C ATOM 191 OD1 ASP A 12 -9.910 26.801 17.191 1.00 50.00 O ATOM 192 OD2 ASP A 12 -11.490 27.125 15.763 1.00 50.00 O ATOM 0 H ASP A 12 -10.238 27.100 19.375 1.00 50.00 H new ATOM 0 HA ASP A 12 -9.957 29.684 17.954 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -12.284 27.745 18.493 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -12.267 28.992 17.262 1.00 50.00 H new ATOM 197 N ASP A 13 -11.695 29.432 20.718 1.00 50.00 N ATOM 198 CA ASP A 13 -12.345 30.277 21.761 1.00 50.00 C ATOM 199 C ASP A 13 -11.378 31.369 22.222 1.00 50.00 C ATOM 200 O ASP A 13 -11.684 32.544 22.176 1.00 50.00 O ATOM 201 CB ASP A 13 -12.659 29.316 22.910 1.00 50.00 C ATOM 202 CG ASP A 13 -14.134 28.917 22.850 1.00 50.00 C ATOM 203 OD1 ASP A 13 -14.954 29.786 22.604 1.00 50.00 O ATOM 204 OD2 ASP A 13 -14.420 27.747 23.052 1.00 50.00 O ATOM 0 H ASP A 13 -11.653 28.435 20.931 1.00 50.00 H new ATOM 0 HA ASP A 13 -13.242 30.777 21.394 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -12.028 28.430 22.840 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -12.438 29.790 23.866 1.00 50.00 H new ATOM 209 N GLN A 14 -10.209 30.990 22.663 1.00 50.00 N ATOM 210 CA GLN A 14 -9.221 32.005 23.122 1.00 50.00 C ATOM 211 C GLN A 14 -8.702 32.808 21.926 1.00 50.00 C ATOM 212 O GLN A 14 -8.353 33.965 22.046 1.00 50.00 O ATOM 213 CB GLN A 14 -8.088 31.199 23.755 1.00 50.00 C ATOM 214 CG GLN A 14 -8.657 30.287 24.843 1.00 50.00 C ATOM 215 CD GLN A 14 -8.113 30.720 26.205 1.00 50.00 C ATOM 216 OE1 GLN A 14 -8.195 31.877 26.565 1.00 50.00 O ATOM 217 NE2 GLN A 14 -7.554 29.834 26.983 1.00 50.00 N ATOM 0 H GLN A 14 -9.896 30.021 22.725 1.00 50.00 H new ATOM 0 HA GLN A 14 -9.655 32.717 23.824 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -7.582 30.604 22.995 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -7.343 31.871 24.182 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -9.746 30.337 24.842 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -8.385 29.251 24.643 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -7.485 28.862 26.682 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -7.186 30.113 27.893 1.00 50.00 H new ATOM 226 N GLY A 15 -8.650 32.199 20.773 1.00 50.00 N ATOM 227 CA GLY A 15 -8.156 32.922 19.568 1.00 50.00 C ATOM 228 C GLY A 15 -6.635 32.781 19.480 1.00 50.00 C ATOM 229 O GLY A 15 -5.923 33.745 19.276 1.00 50.00 O ATOM 0 H GLY A 15 -8.929 31.231 20.614 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -8.623 32.517 18.670 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -8.432 33.975 19.623 1.00 50.00 H new ATOM 233 N TRP A 16 -6.130 31.586 19.632 1.00 50.00 N ATOM 234 CA TRP A 16 -4.653 31.388 19.555 1.00 50.00 C ATOM 235 C TRP A 16 -4.298 30.534 18.333 1.00 50.00 C ATOM 236 O TRP A 16 -5.162 30.057 17.625 1.00 50.00 O ATOM 237 CB TRP A 16 -4.284 30.652 20.844 1.00 50.00 C ATOM 238 CG TRP A 16 -4.423 31.579 22.008 1.00 50.00 C ATOM 239 CD1 TRP A 16 -4.458 32.929 21.929 1.00 50.00 C ATOM 240 CD2 TRP A 16 -4.547 31.249 23.423 1.00 50.00 C ATOM 241 NE1 TRP A 16 -4.595 33.448 23.204 1.00 50.00 N ATOM 242 CE2 TRP A 16 -4.654 32.452 24.159 1.00 50.00 C ATOM 243 CE3 TRP A 16 -4.575 30.033 24.131 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -4.785 32.451 25.549 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -4.707 30.029 25.531 1.00 50.00 C ATOM 246 CH2 TRP A 16 -4.812 31.235 26.236 1.00 50.00 C ATOM 0 H TRP A 16 -6.674 30.741 19.806 1.00 50.00 H new ATOM 0 HA TRP A 16 -4.115 32.331 19.454 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -4.931 29.785 20.977 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.261 30.280 20.782 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -4.390 33.507 21.019 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -4.646 34.445 23.413 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -4.495 29.098 23.596 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -4.865 33.383 26.089 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -4.728 29.091 26.066 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -4.914 31.225 27.311 1.00 50.00 H new ATOM 257 N ASP A 17 -3.032 30.334 18.084 1.00 50.00 N ATOM 258 CA ASP A 17 -2.624 29.507 16.911 1.00 50.00 C ATOM 259 C ASP A 17 -2.598 28.027 17.299 1.00 50.00 C ATOM 260 O ASP A 17 -3.168 27.626 18.294 1.00 50.00 O ATOM 261 CB ASP A 17 -1.219 29.994 16.549 1.00 50.00 C ATOM 262 CG ASP A 17 -1.269 30.763 15.228 1.00 50.00 C ATOM 263 OD1 ASP A 17 -2.232 31.483 15.021 1.00 50.00 O ATOM 264 OD2 ASP A 17 -0.345 30.618 14.445 1.00 50.00 O ATOM 0 H ASP A 17 -2.263 30.707 18.641 1.00 50.00 H new ATOM 0 HA ASP A 17 -3.314 29.606 16.073 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -0.830 30.635 17.340 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -0.540 29.146 16.463 1.00 50.00 H new ATOM 269 N MET A 18 -1.943 27.209 16.521 1.00 50.00 N ATOM 270 CA MET A 18 -1.887 25.755 16.851 1.00 50.00 C ATOM 271 C MET A 18 -0.995 25.523 18.074 1.00 50.00 C ATOM 272 O MET A 18 -1.336 24.777 18.969 1.00 50.00 O ATOM 273 CB MET A 18 -1.286 25.090 15.613 1.00 50.00 C ATOM 274 CG MET A 18 -2.369 24.285 14.894 1.00 50.00 C ATOM 275 SD MET A 18 -1.652 23.459 13.453 1.00 50.00 S ATOM 276 CE MET A 18 -2.596 21.921 13.585 1.00 50.00 C ATOM 0 H MET A 18 -1.445 27.483 15.674 1.00 50.00 H new ATOM 0 HA MET A 18 -2.869 25.349 17.094 1.00 50.00 H new ATOM 0 HB2 MET A 18 -0.874 25.846 14.944 1.00 50.00 H new ATOM 0 HB3 MET A 18 -0.462 24.437 15.901 1.00 50.00 H new ATOM 0 HG2 MET A 18 -2.799 23.548 15.572 1.00 50.00 H new ATOM 0 HG3 MET A 18 -3.180 24.943 14.583 1.00 50.00 H new ATOM 0 HE1 MET A 18 -2.309 21.247 12.778 1.00 50.00 H new ATOM 0 HE2 MET A 18 -2.387 21.447 14.544 1.00 50.00 H new ATOM 0 HE3 MET A 18 -3.661 22.141 13.513 1.00 50.00 H new ATOM 286 N ASP A 19 0.146 26.156 18.117 1.00 50.00 N ATOM 287 CA ASP A 19 1.056 25.968 19.284 1.00 50.00 C ATOM 288 C ASP A 19 2.018 27.154 19.402 1.00 50.00 C ATOM 289 O ASP A 19 3.108 27.033 19.925 1.00 50.00 O ATOM 290 CB ASP A 19 1.821 24.676 18.986 1.00 50.00 C ATOM 291 CG ASP A 19 2.896 24.943 17.929 1.00 50.00 C ATOM 292 OD1 ASP A 19 2.531 25.186 16.790 1.00 50.00 O ATOM 293 OD2 ASP A 19 4.064 24.900 18.276 1.00 50.00 O ATOM 0 H ASP A 19 0.487 26.793 17.397 1.00 50.00 H new ATOM 0 HA ASP A 19 0.513 25.909 20.227 1.00 50.00 H new ATOM 0 HB2 ASP A 19 2.281 24.296 19.898 1.00 50.00 H new ATOM 0 HB3 ASP A 19 1.133 23.908 18.632 1.00 50.00 H new ATOM 298 N ASP A 20 1.621 28.300 18.919 1.00 50.00 N ATOM 299 CA ASP A 20 2.512 29.494 19.000 1.00 50.00 C ATOM 300 C ASP A 20 2.676 29.938 20.457 1.00 50.00 C ATOM 301 O ASP A 20 3.746 29.850 21.026 1.00 50.00 O ATOM 302 CB ASP A 20 1.797 30.577 18.191 1.00 50.00 C ATOM 303 CG ASP A 20 2.142 30.419 16.708 1.00 50.00 C ATOM 304 OD1 ASP A 20 2.136 29.294 16.236 1.00 50.00 O ATOM 305 OD2 ASP A 20 2.406 31.425 16.072 1.00 50.00 O ATOM 0 H ASP A 20 0.719 28.462 18.472 1.00 50.00 H new ATOM 0 HA ASP A 20 3.511 29.288 18.616 1.00 50.00 H new ATOM 0 HB2 ASP A 20 0.719 30.501 18.335 1.00 50.00 H new ATOM 0 HB3 ASP A 20 2.096 31.565 18.542 1.00 50.00 H new ATOM 310 N ASP A 21 1.624 30.420 21.062 1.00 50.00 N ATOM 311 CA ASP A 21 1.721 30.874 22.479 1.00 50.00 C ATOM 312 C ASP A 21 1.677 29.675 23.431 1.00 50.00 C ATOM 313 O ASP A 21 0.930 29.659 24.389 1.00 50.00 O ATOM 314 CB ASP A 21 0.502 31.771 22.690 1.00 50.00 C ATOM 315 CG ASP A 21 0.661 32.546 24.002 1.00 50.00 C ATOM 316 OD1 ASP A 21 1.561 32.216 24.756 1.00 50.00 O ATOM 317 OD2 ASP A 21 -0.121 33.455 24.227 1.00 50.00 O ATOM 0 H ASP A 21 0.702 30.519 20.637 1.00 50.00 H new ATOM 0 HA ASP A 21 2.655 31.398 22.679 1.00 50.00 H new ATOM 0 HB2 ASP A 21 0.398 32.465 21.856 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -0.406 31.169 22.718 1.00 50.00 H new ATOM 322 N ASP A 22 2.476 28.674 23.177 1.00 50.00 N ATOM 323 CA ASP A 22 2.484 27.480 24.072 1.00 50.00 C ATOM 324 C ASP A 22 1.051 27.094 24.455 1.00 50.00 C ATOM 325 O ASP A 22 0.706 27.028 25.616 1.00 50.00 O ATOM 326 CB ASP A 22 3.270 27.924 25.306 1.00 50.00 C ATOM 327 CG ASP A 22 4.760 27.661 25.084 1.00 50.00 C ATOM 328 OD1 ASP A 22 5.085 26.605 24.565 1.00 50.00 O ATOM 329 OD2 ASP A 22 5.552 28.519 25.436 1.00 50.00 O ATOM 0 H ASP A 22 3.123 28.631 22.390 1.00 50.00 H new ATOM 0 HA ASP A 22 2.928 26.606 23.596 1.00 50.00 H new ATOM 0 HB2 ASP A 22 3.101 28.984 25.496 1.00 50.00 H new ATOM 0 HB3 ASP A 22 2.922 27.383 26.186 1.00 50.00 H new ATOM 334 N LEU A 23 0.216 26.842 23.487 1.00 50.00 N ATOM 335 CA LEU A 23 -1.197 26.464 23.792 1.00 50.00 C ATOM 336 C LEU A 23 -1.257 25.459 24.948 1.00 50.00 C ATOM 337 O LEU A 23 -1.823 25.729 25.989 1.00 50.00 O ATOM 338 CB LEU A 23 -1.716 25.827 22.503 1.00 50.00 C ATOM 339 CG LEU A 23 -2.618 26.820 21.769 1.00 50.00 C ATOM 340 CD1 LEU A 23 -3.937 26.967 22.531 1.00 50.00 C ATOM 341 CD2 LEU A 23 -1.922 28.180 21.688 1.00 50.00 C ATOM 0 H LEU A 23 0.449 26.881 22.495 1.00 50.00 H new ATOM 0 HA LEU A 23 -1.792 27.324 24.100 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -0.880 25.539 21.865 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -2.270 24.917 22.732 1.00 50.00 H new ATOM 0 HG LEU A 23 -2.817 26.454 20.762 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -4.582 27.675 22.009 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -4.434 25.998 22.589 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -3.737 27.333 23.538 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -2.565 28.887 21.165 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -1.722 28.547 22.695 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -0.982 28.076 21.147 1.00 50.00 H new ATOM 353 N PHE A 24 -0.686 24.299 24.768 1.00 50.00 N ATOM 354 CA PHE A 24 -0.716 23.271 25.849 1.00 50.00 C ATOM 355 C PHE A 24 -0.191 23.857 27.158 1.00 50.00 C ATOM 356 O PHE A 24 -0.593 23.462 28.235 1.00 50.00 O ATOM 357 CB PHE A 24 0.209 22.157 25.359 1.00 50.00 C ATOM 358 CG PHE A 24 -0.533 21.272 24.387 1.00 50.00 C ATOM 359 CD1 PHE A 24 -0.572 21.603 23.027 1.00 50.00 C ATOM 360 CD2 PHE A 24 -1.181 20.120 24.846 1.00 50.00 C ATOM 361 CE1 PHE A 24 -1.259 20.782 22.127 1.00 50.00 C ATOM 362 CE2 PHE A 24 -1.868 19.297 23.945 1.00 50.00 C ATOM 363 CZ PHE A 24 -1.907 19.629 22.585 1.00 50.00 C ATOM 0 H PHE A 24 -0.199 24.018 23.917 1.00 50.00 H new ATOM 0 HA PHE A 24 -1.726 22.912 26.045 1.00 50.00 H new ATOM 0 HB2 PHE A 24 1.088 22.586 24.878 1.00 50.00 H new ATOM 0 HB3 PHE A 24 0.564 21.568 26.204 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -0.072 22.492 22.673 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -1.151 19.865 25.895 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -1.290 21.038 21.078 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -2.367 18.407 24.299 1.00 50.00 H new ATOM 0 HZ PHE A 24 -2.437 18.995 21.890 1.00 50.00 H new ATOM 373 N GLU A 25 0.707 24.794 27.074 1.00 50.00 N ATOM 374 CA GLU A 25 1.266 25.404 28.317 1.00 50.00 C ATOM 375 C GLU A 25 0.405 26.591 28.763 1.00 50.00 C ATOM 376 O GLU A 25 -0.092 26.626 29.871 1.00 50.00 O ATOM 377 CB GLU A 25 2.670 25.871 27.932 1.00 50.00 C ATOM 378 CG GLU A 25 3.704 25.142 28.793 1.00 50.00 C ATOM 379 CD GLU A 25 4.787 24.544 27.891 1.00 50.00 C ATOM 380 OE1 GLU A 25 5.472 25.311 27.235 1.00 50.00 O ATOM 381 OE2 GLU A 25 4.911 23.330 27.872 1.00 50.00 O ATOM 0 H GLU A 25 1.081 25.166 26.201 1.00 50.00 H new ATOM 0 HA GLU A 25 1.285 24.700 29.149 1.00 50.00 H new ATOM 0 HB2 GLU A 25 2.854 25.672 26.876 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.758 26.948 28.073 1.00 50.00 H new ATOM 0 HG2 GLU A 25 4.151 25.833 29.507 1.00 50.00 H new ATOM 0 HG3 GLU A 25 3.221 24.354 29.371 1.00 50.00 H new ATOM 388 N LYS A 26 0.225 27.559 27.910 1.00 50.00 N ATOM 389 CA LYS A 26 -0.605 28.740 28.284 1.00 50.00 C ATOM 390 C LYS A 26 -1.995 28.279 28.726 1.00 50.00 C ATOM 391 O LYS A 26 -2.671 28.947 29.482 1.00 50.00 O ATOM 392 CB LYS A 26 -0.696 29.579 27.008 1.00 50.00 C ATOM 393 CG LYS A 26 -1.029 31.028 27.373 1.00 50.00 C ATOM 394 CD LYS A 26 0.219 31.713 27.932 1.00 50.00 C ATOM 395 CE LYS A 26 -0.179 33.025 28.610 1.00 50.00 C ATOM 396 NZ LYS A 26 0.769 33.168 29.752 1.00 50.00 N ATOM 0 H LYS A 26 0.617 27.585 26.969 1.00 50.00 H new ATOM 0 HA LYS A 26 -0.177 29.306 29.111 1.00 50.00 H new ATOM 0 HB2 LYS A 26 0.248 29.537 26.464 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -1.462 29.174 26.347 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -1.387 31.563 26.493 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -1.832 31.053 28.110 1.00 50.00 H new ATOM 0 HD2 LYS A 26 0.717 31.058 28.647 1.00 50.00 H new ATOM 0 HD3 LYS A 26 0.930 31.907 27.129 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -0.098 33.866 27.921 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -1.212 32.994 28.955 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 1.114 34.148 29.796 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 0.281 32.932 30.640 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 1.574 32.524 29.618 1.00 50.00 H new ATOM 410 N ALA A 27 -2.424 27.138 28.260 1.00 50.00 N ATOM 411 CA ALA A 27 -3.768 26.630 28.655 1.00 50.00 C ATOM 412 C ALA A 27 -3.818 26.401 30.168 1.00 50.00 C ATOM 413 O ALA A 27 -4.816 26.653 30.811 1.00 50.00 O ATOM 414 CB ALA A 27 -3.930 25.308 27.904 1.00 50.00 C ATOM 0 H ALA A 27 -1.902 26.536 27.623 1.00 50.00 H new ATOM 0 HA ALA A 27 -4.565 27.333 28.413 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -4.899 24.870 28.143 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -3.869 25.489 26.831 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -3.138 24.621 28.202 1.00 50.00 H new ATOM 420 N ALA A 28 -2.744 25.926 30.740 1.00 50.00 N ATOM 421 CA ALA A 28 -2.730 25.687 32.212 1.00 50.00 C ATOM 422 C ALA A 28 -2.652 27.022 32.956 1.00 50.00 C ATOM 423 O ALA A 28 -2.972 27.113 34.125 1.00 50.00 O ATOM 424 CB ALA A 28 -1.472 24.855 32.468 1.00 50.00 C ATOM 0 H ALA A 28 -1.878 25.694 30.253 1.00 50.00 H new ATOM 0 HA ALA A 28 -3.629 25.178 32.559 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -1.390 24.637 33.533 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -1.534 23.921 31.910 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -0.594 25.414 32.144 1.00 50.00 H new ATOM 430 N ASP A 29 -2.230 28.059 32.286 1.00 50.00 N ATOM 431 CA ASP A 29 -2.133 29.389 32.953 1.00 50.00 C ATOM 432 C ASP A 29 -3.497 30.083 32.945 1.00 50.00 C ATOM 433 O ASP A 29 -3.788 30.914 33.782 1.00 50.00 O ATOM 434 CB ASP A 29 -1.125 30.179 32.116 1.00 50.00 C ATOM 435 CG ASP A 29 -0.777 31.485 32.835 1.00 50.00 C ATOM 436 OD1 ASP A 29 -0.433 31.421 34.003 1.00 50.00 O ATOM 437 OD2 ASP A 29 -0.862 32.526 32.204 1.00 50.00 O ATOM 0 H ASP A 29 -1.948 28.043 31.306 1.00 50.00 H new ATOM 0 HA ASP A 29 -1.823 29.308 33.995 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -0.224 29.587 31.958 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -1.542 30.393 31.132 1.00 50.00 H new ATOM 442 N ALA A 30 -4.338 29.747 32.004 1.00 50.00 N ATOM 443 CA ALA A 30 -5.683 30.387 31.943 1.00 50.00 C ATOM 444 C ALA A 30 -6.674 29.617 32.821 1.00 50.00 C ATOM 445 O ALA A 30 -7.653 30.162 33.291 1.00 50.00 O ATOM 446 CB ALA A 30 -6.092 30.305 30.473 1.00 50.00 C ATOM 0 H ALA A 30 -4.152 29.058 31.276 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.670 31.415 32.306 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -7.075 30.757 30.343 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.364 30.839 29.862 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -6.129 29.261 30.163 1.00 50.00 H new ATOM 452 N GLY A 31 -6.426 28.357 33.049 1.00 50.00 N ATOM 453 CA GLY A 31 -7.351 27.556 33.898 1.00 50.00 C ATOM 454 C GLY A 31 -8.447 26.942 33.025 1.00 50.00 C ATOM 455 O GLY A 31 -9.587 26.831 33.429 1.00 50.00 O ATOM 0 H GLY A 31 -5.622 27.847 32.683 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -6.799 26.770 34.413 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -7.796 28.189 34.666 1.00 50.00 H new ATOM 459 N LEU A 32 -8.112 26.540 31.829 1.00 50.00 N ATOM 460 CA LEU A 32 -9.138 25.933 30.933 1.00 50.00 C ATOM 461 C LEU A 32 -9.837 24.769 31.641 1.00 50.00 C ATOM 462 O LEU A 32 -9.247 24.075 32.445 1.00 50.00 O ATOM 463 CB LEU A 32 -8.359 25.434 29.716 1.00 50.00 C ATOM 464 CG LEU A 32 -8.705 26.300 28.503 1.00 50.00 C ATOM 465 CD1 LEU A 32 -10.201 26.186 28.205 1.00 50.00 C ATOM 466 CD2 LEU A 32 -8.355 27.759 28.803 1.00 50.00 C ATOM 0 H LEU A 32 -7.174 26.605 31.434 1.00 50.00 H new ATOM 0 HA LEU A 32 -9.914 26.645 30.653 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -7.288 25.476 29.913 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -8.605 24.391 29.515 1.00 50.00 H new ATOM 0 HG LEU A 32 -8.135 25.959 27.638 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -10.448 26.803 27.341 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -10.451 25.147 27.992 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -10.771 26.527 29.069 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -8.601 28.377 27.940 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -8.925 28.100 29.667 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -7.289 27.841 29.016 1.00 50.00 H new ATOM 478 N ASP A 33 -11.089 24.554 31.350 1.00 50.00 N ATOM 479 CA ASP A 33 -11.830 23.438 32.007 1.00 50.00 C ATOM 480 C ASP A 33 -11.069 22.120 31.840 1.00 50.00 C ATOM 481 O ASP A 33 -10.545 21.824 30.785 1.00 50.00 O ATOM 482 CB ASP A 33 -13.173 23.376 31.280 1.00 50.00 C ATOM 483 CG ASP A 33 -14.242 22.832 32.230 1.00 50.00 C ATOM 484 OD1 ASP A 33 -14.171 21.659 32.560 1.00 50.00 O ATOM 485 OD2 ASP A 33 -15.112 23.598 32.611 1.00 50.00 O ATOM 0 H ASP A 33 -11.633 25.103 30.685 1.00 50.00 H new ATOM 0 HA ASP A 33 -11.950 23.598 33.078 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -13.455 24.369 30.928 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -13.094 22.737 30.401 1.00 50.00 H new ATOM 490 N GLY A 34 -11.009 21.324 32.873 1.00 50.00 N ATOM 491 CA GLY A 34 -10.289 20.025 32.771 1.00 50.00 C ATOM 492 C GLY A 34 -10.908 19.194 31.646 1.00 50.00 C ATOM 493 O GLY A 34 -10.280 18.313 31.091 1.00 50.00 O ATOM 0 H GLY A 34 -11.428 21.518 33.783 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -9.231 20.197 32.573 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -10.353 19.485 33.716 1.00 50.00 H new ATOM 497 N GLU A 35 -12.136 19.471 31.301 1.00 50.00 N ATOM 498 CA GLU A 35 -12.797 18.701 30.209 1.00 50.00 C ATOM 499 C GLU A 35 -12.240 19.134 28.850 1.00 50.00 C ATOM 500 O GLU A 35 -12.631 18.626 27.818 1.00 50.00 O ATOM 501 CB GLU A 35 -14.281 19.052 30.318 1.00 50.00 C ATOM 502 CG GLU A 35 -15.057 18.330 29.216 1.00 50.00 C ATOM 503 CD GLU A 35 -16.513 18.155 29.649 1.00 50.00 C ATOM 504 OE1 GLU A 35 -16.733 17.553 30.688 1.00 50.00 O ATOM 505 OE2 GLU A 35 -17.384 18.626 28.936 1.00 50.00 O ATOM 0 H GLU A 35 -12.710 20.198 31.728 1.00 50.00 H new ATOM 0 HA GLU A 35 -12.626 17.628 30.296 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -14.663 18.762 31.297 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -14.418 20.130 30.228 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -15.008 18.901 28.289 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -14.606 17.358 29.016 1.00 50.00 H new ATOM 512 N ASP A 36 -11.331 20.071 28.842 1.00 50.00 N ATOM 513 CA ASP A 36 -10.751 20.536 27.551 1.00 50.00 C ATOM 514 C ASP A 36 -9.237 20.310 27.539 1.00 50.00 C ATOM 515 O ASP A 36 -8.699 19.705 26.633 1.00 50.00 O ATOM 516 CB ASP A 36 -11.071 22.030 27.489 1.00 50.00 C ATOM 517 CG ASP A 36 -12.539 22.224 27.103 1.00 50.00 C ATOM 518 OD1 ASP A 36 -13.123 21.287 26.585 1.00 50.00 O ATOM 519 OD2 ASP A 36 -13.052 23.306 27.332 1.00 50.00 O ATOM 0 H ASP A 36 -10.965 20.534 29.674 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.159 19.996 26.697 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -10.874 22.495 28.455 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -10.425 22.521 26.761 1.00 50.00 H new ATOM 524 N TYR A 37 -8.546 20.792 28.534 1.00 12.50 N ATOM 525 CA TYR A 37 -7.068 20.601 28.574 1.00 12.50 C ATOM 526 C TYR A 37 -6.661 19.865 29.852 1.00 12.50 C ATOM 527 O TYR A 37 -7.293 19.992 30.882 1.00 12.50 O ATOM 528 CB TYR A 37 -6.481 22.013 28.564 1.00 12.50 C ATOM 529 CG TYR A 37 -5.012 21.945 28.907 1.00 12.50 C ATOM 530 CD1 TYR A 37 -4.131 21.243 28.076 1.00 50.00 C ATOM 531 CD2 TYR A 37 -4.532 22.583 30.056 1.00 50.00 C ATOM 532 CE1 TYR A 37 -2.769 21.179 28.395 1.00 50.00 C ATOM 533 CE2 TYR A 37 -3.171 22.519 30.376 1.00 50.00 C ATOM 534 CZ TYR A 37 -2.289 21.817 29.546 1.00 12.50 C ATOM 535 OH TYR A 37 -0.946 21.753 29.861 1.00 50.00 O ATOM 0 H TYR A 37 -8.939 21.309 29.320 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.711 20.004 27.735 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -6.616 22.469 27.583 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -7.005 22.642 29.283 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -4.502 20.751 27.189 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -5.212 23.125 30.696 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.089 20.638 27.754 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -2.801 23.011 31.263 1.00 50.00 H new ATOM 0 HH TYR A 37 -0.506 22.585 29.588 1.00 50.00 H new ATOM 545 N GLY A 38 -5.609 19.095 29.793 1.00 10.00 N ATOM 546 CA GLY A 38 -5.161 18.352 31.004 1.00 10.00 C ATOM 547 C GLY A 38 -4.201 17.236 30.588 1.00 10.00 C ATOM 548 O GLY A 38 -3.914 17.054 29.421 1.00 10.00 O ATOM 0 H GLY A 38 -5.041 18.949 28.959 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -4.667 19.031 31.699 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.021 17.932 31.525 1.00 10.00 H new ATOM 552 N THR A 39 -3.701 16.488 31.532 1.00 10.00 N ATOM 553 CA THR A 39 -2.761 15.385 31.187 1.00 10.00 C ATOM 554 C THR A 39 -3.504 14.046 31.167 1.00 10.00 C ATOM 555 O THR A 39 -4.120 13.652 32.137 1.00 10.00 O ATOM 556 CB THR A 39 -1.709 15.397 32.297 1.00 50.00 C ATOM 557 OG1 THR A 39 -1.170 16.705 32.420 1.00 50.00 O ATOM 558 CG2 THR A 39 -0.592 14.412 31.951 1.00 50.00 C ATOM 0 H THR A 39 -3.902 16.593 32.526 1.00 10.00 H new ATOM 0 HA THR A 39 -2.314 15.517 30.202 1.00 10.00 H new ATOM 0 HB THR A 39 -2.169 15.104 33.240 1.00 50.00 H new ATOM 0 HG1 THR A 39 -0.497 16.716 33.132 1.00 50.00 H new ATOM 0 HG21 THR A 39 0.158 14.420 32.742 1.00 50.00 H new ATOM 0 HG22 THR A 39 -1.008 13.409 31.856 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.129 14.704 31.008 1.00 50.00 H new ATOM 566 N MET A 40 -3.454 13.348 30.066 1.00 10.00 N ATOM 567 CA MET A 40 -4.161 12.038 29.983 1.00 10.00 C ATOM 568 C MET A 40 -3.223 10.899 30.391 1.00 10.00 C ATOM 569 O MET A 40 -2.564 10.299 29.565 1.00 10.00 O ATOM 570 CB MET A 40 -4.564 11.898 28.517 1.00 10.00 C ATOM 571 CG MET A 40 -6.083 11.751 28.422 1.00 10.00 C ATOM 572 SD MET A 40 -6.521 11.009 26.831 1.00 12.50 S ATOM 573 CE MET A 40 -6.590 9.291 27.398 1.00 50.00 C ATOM 0 H MET A 40 -2.955 13.627 29.221 1.00 10.00 H new ATOM 0 HA MET A 40 -5.022 11.993 30.650 1.00 10.00 H new ATOM 0 HB2 MET A 40 -4.236 12.771 27.953 1.00 10.00 H new ATOM 0 HB3 MET A 40 -4.075 11.030 28.075 1.00 10.00 H new ATOM 0 HG2 MET A 40 -6.450 11.129 29.238 1.00 10.00 H new ATOM 0 HG3 MET A 40 -6.560 12.726 28.524 1.00 10.00 H new ATOM 0 HE1 MET A 40 -7.463 8.801 26.968 1.00 50.00 H new ATOM 0 HE2 MET A 40 -5.688 8.767 27.082 1.00 50.00 H new ATOM 0 HE3 MET A 40 -6.660 9.269 28.486 1.00 50.00 H new ATOM 583 N GLU A 41 -3.163 10.591 31.657 1.00 10.00 N ATOM 584 CA GLU A 41 -2.273 9.485 32.111 1.00 10.00 C ATOM 585 C GLU A 41 -3.035 8.158 32.087 1.00 10.00 C ATOM 586 O GLU A 41 -3.943 7.940 32.866 1.00 10.00 O ATOM 587 CB GLU A 41 -1.877 9.851 33.541 1.00 10.00 C ATOM 588 CG GLU A 41 -0.701 8.975 33.981 1.00 10.00 C ATOM 589 CD GLU A 41 -1.228 7.765 34.753 1.00 12.50 C ATOM 590 OE1 GLU A 41 -1.619 6.803 34.113 1.00 12.50 O ATOM 591 OE2 GLU A 41 -1.231 7.821 35.971 1.00 12.50 O ATOM 0 H GLU A 41 -3.691 11.056 32.396 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.401 9.366 31.469 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.601 10.904 33.596 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -2.723 9.708 34.213 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -0.133 8.646 33.111 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -0.019 9.551 34.607 1.00 10.00 H new ATOM 598 N VAL A 42 -2.681 7.272 31.198 1.00 10.00 N ATOM 599 CA VAL A 42 -3.394 5.964 31.126 1.00 10.00 C ATOM 600 C VAL A 42 -2.400 4.804 31.229 1.00 10.00 C ATOM 601 O VAL A 42 -1.202 4.994 31.168 1.00 10.00 O ATOM 602 CB VAL A 42 -4.083 5.962 29.759 1.00 10.00 C ATOM 603 CG1 VAL A 42 -4.750 7.319 29.521 1.00 10.00 C ATOM 604 CG2 VAL A 42 -3.049 5.705 28.661 1.00 10.00 C ATOM 0 H VAL A 42 -1.930 7.396 30.519 1.00 10.00 H new ATOM 0 HA VAL A 42 -4.105 5.840 31.943 1.00 10.00 H new ATOM 0 HB VAL A 42 -4.837 5.175 29.737 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -5.241 7.318 28.548 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -5.490 7.502 30.300 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -3.995 8.105 29.546 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -3.543 5.704 27.689 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -2.292 6.489 28.683 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -2.574 4.738 28.827 1.00 10.00 H new ATOM 614 N ALA A 43 -2.890 3.605 31.380 1.00 10.00 N ATOM 615 CA ALA A 43 -1.976 2.432 31.480 1.00 10.00 C ATOM 616 C ALA A 43 -1.471 2.040 30.089 1.00 10.00 C ATOM 617 O ALA A 43 -2.164 2.194 29.102 1.00 10.00 O ATOM 618 CB ALA A 43 -2.832 1.313 32.076 1.00 50.00 C ATOM 0 H ALA A 43 -3.885 3.386 31.439 1.00 10.00 H new ATOM 0 HA ALA A 43 -1.098 2.641 32.091 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -2.229 0.411 32.182 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -3.202 1.619 33.055 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -3.676 1.110 31.417 1.00 50.00 H new ATOM 624 N GLU A 44 -0.270 1.539 30.002 1.00 10.00 N ATOM 625 CA GLU A 44 0.276 1.142 28.672 1.00 10.00 C ATOM 626 C GLU A 44 -0.536 -0.015 28.086 1.00 10.00 C ATOM 627 O GLU A 44 -0.587 -1.095 28.641 1.00 10.00 O ATOM 628 CB GLU A 44 1.713 0.701 28.949 1.00 10.00 C ATOM 629 CG GLU A 44 2.654 1.895 28.781 1.00 10.00 C ATOM 630 CD GLU A 44 3.868 1.722 29.695 1.00 25.00 C ATOM 631 OE1 GLU A 44 3.763 2.069 30.859 1.00 25.00 O ATOM 632 OE2 GLU A 44 4.882 1.242 29.215 1.00 25.00 O ATOM 0 H GLU A 44 0.357 1.387 30.792 1.00 10.00 H new ATOM 0 HA GLU A 44 0.231 1.957 27.950 1.00 10.00 H new ATOM 0 HB2 GLU A 44 1.793 0.300 29.959 1.00 10.00 H new ATOM 0 HB3 GLU A 44 1.997 -0.099 28.265 1.00 10.00 H new ATOM 0 HG2 GLU A 44 2.976 1.974 27.743 1.00 10.00 H new ATOM 0 HG3 GLU A 44 2.131 2.820 29.024 1.00 10.00 H new ATOM 639 N GLY A 45 -1.170 0.202 26.967 1.00 10.00 N ATOM 640 CA GLY A 45 -1.975 -0.885 26.343 1.00 10.00 C ATOM 641 C GLY A 45 -3.465 -0.593 26.537 1.00 10.00 C ATOM 642 O GLY A 45 -4.312 -1.389 26.183 1.00 10.00 O ATOM 0 H GLY A 45 -1.165 1.086 26.458 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -1.743 -0.959 25.280 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -1.720 -1.845 26.793 1.00 10.00 H new ATOM 646 N GLU A 46 -3.794 0.540 27.098 1.00 10.00 N ATOM 647 CA GLU A 46 -5.233 0.873 27.309 1.00 10.00 C ATOM 648 C GLU A 46 -5.694 1.906 26.278 1.00 10.00 C ATOM 649 O GLU A 46 -5.191 3.011 26.224 1.00 10.00 O ATOM 650 CB GLU A 46 -5.304 1.452 28.721 1.00 10.00 C ATOM 651 CG GLU A 46 -6.745 1.377 29.230 1.00 10.00 C ATOM 652 CD GLU A 46 -6.922 0.111 30.071 1.00 10.00 C ATOM 653 OE1 GLU A 46 -5.983 -0.664 30.146 1.00 10.00 O ATOM 654 OE2 GLU A 46 -7.996 -0.063 30.624 1.00 10.00 O ATOM 0 H GLU A 46 -3.132 1.247 27.418 1.00 10.00 H new ATOM 0 HA GLU A 46 -5.879 0.003 27.195 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -4.642 0.898 29.387 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -4.961 2.487 28.719 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -6.978 2.259 29.827 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -7.439 1.369 28.390 1.00 10.00 H new ATOM 661 N TYR A 47 -6.648 1.556 25.460 1.00 10.00 N ATOM 662 CA TYR A 47 -7.143 2.518 24.433 1.00 10.00 C ATOM 663 C TYR A 47 -7.341 3.903 25.055 1.00 10.00 C ATOM 664 O TYR A 47 -8.130 4.079 25.964 1.00 10.00 O ATOM 665 CB TYR A 47 -8.478 1.941 23.963 1.00 10.00 C ATOM 666 CG TYR A 47 -8.254 0.557 23.402 1.00 10.00 C ATOM 667 CD1 TYR A 47 -7.111 0.288 22.641 1.00 10.00 C ATOM 668 CD2 TYR A 47 -9.189 -0.456 23.645 1.00 10.00 C ATOM 669 CE1 TYR A 47 -6.903 -0.994 22.122 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.980 -1.740 23.125 1.00 10.00 C ATOM 671 CZ TYR A 47 -7.837 -2.009 22.363 1.00 10.00 C ATOM 672 OH TYR A 47 -7.629 -3.273 21.852 1.00 10.00 O ATOM 0 H TYR A 47 -7.107 0.645 25.458 1.00 10.00 H new ATOM 0 HA TYR A 47 -6.440 2.641 23.609 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -9.182 1.899 24.794 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -8.919 2.587 23.204 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -6.390 1.070 22.454 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -10.071 -0.248 24.233 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -6.021 -1.201 21.535 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -9.701 -2.522 23.312 1.00 10.00 H new ATOM 0 HH TYR A 47 -8.371 -3.858 22.113 1.00 10.00 H new ATOM 682 N ILE A 48 -6.632 4.887 24.573 1.00 10.00 N ATOM 683 CA ILE A 48 -6.776 6.261 25.136 1.00 10.00 C ATOM 684 C ILE A 48 -8.254 6.597 25.352 1.00 10.00 C ATOM 685 O ILE A 48 -8.688 6.838 26.461 1.00 10.00 O ATOM 686 CB ILE A 48 -6.159 7.186 24.085 1.00 10.00 C ATOM 687 CG1 ILE A 48 -4.646 6.961 24.032 1.00 10.00 C ATOM 688 CG2 ILE A 48 -6.443 8.644 24.456 1.00 10.00 C ATOM 689 CD1 ILE A 48 -4.072 7.636 22.784 1.00 10.00 C ATOM 0 H ILE A 48 -5.958 4.799 23.812 1.00 10.00 H new ATOM 0 HA ILE A 48 -6.287 6.363 26.105 1.00 10.00 H new ATOM 0 HB ILE A 48 -6.595 6.967 23.110 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -4.176 7.368 24.927 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -4.427 5.893 24.014 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -6.003 9.302 23.707 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -7.520 8.806 24.494 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -6.008 8.863 25.431 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -2.995 7.476 22.747 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -4.534 7.208 21.894 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -4.278 8.706 22.821 1.00 10.00 H new ATOM 701 N LEU A 49 -9.030 6.619 24.302 1.00 10.00 N ATOM 702 CA LEU A 49 -10.480 6.943 24.451 1.00 10.00 C ATOM 703 C LEU A 49 -11.056 6.236 25.683 1.00 10.00 C ATOM 704 O LEU A 49 -11.726 6.840 26.497 1.00 10.00 O ATOM 705 CB LEU A 49 -11.136 6.421 23.171 1.00 10.00 C ATOM 706 CG LEU A 49 -12.647 6.284 23.383 1.00 10.00 C ATOM 707 CD1 LEU A 49 -13.218 7.616 23.873 1.00 10.00 C ATOM 708 CD2 LEU A 49 -13.314 5.901 22.060 1.00 10.00 C ATOM 0 H LEU A 49 -8.724 6.427 23.348 1.00 10.00 H new ATOM 0 HA LEU A 49 -10.654 8.010 24.590 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -10.936 7.103 22.344 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -10.708 5.456 22.899 1.00 10.00 H new ATOM 0 HG LEU A 49 -12.840 5.511 24.127 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -14.293 7.518 24.024 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -12.743 7.891 24.815 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -13.025 8.390 23.130 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -14.389 5.803 22.210 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -13.120 6.675 21.317 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -12.909 4.952 21.710 1.00 10.00 H new ATOM 720 N GLU A 50 -10.801 4.966 25.827 1.00 10.00 N ATOM 721 CA GLU A 50 -11.337 4.230 27.009 1.00 10.00 C ATOM 722 C GLU A 50 -10.698 4.762 28.294 1.00 10.00 C ATOM 723 O GLU A 50 -11.364 4.981 29.287 1.00 10.00 O ATOM 724 CB GLU A 50 -10.945 2.771 26.776 1.00 10.00 C ATOM 725 CG GLU A 50 -11.338 1.935 27.997 1.00 10.00 C ATOM 726 CD GLU A 50 -10.135 1.802 28.933 1.00 50.00 C ATOM 727 OE1 GLU A 50 -9.917 2.709 29.719 1.00 50.00 O ATOM 728 OE2 GLU A 50 -9.452 0.794 28.847 1.00 50.00 O ATOM 0 H GLU A 50 -10.246 4.406 25.180 1.00 10.00 H new ATOM 0 HA GLU A 50 -12.415 4.349 27.119 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -11.442 2.388 25.885 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -9.872 2.695 26.600 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -12.170 2.406 28.521 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -11.678 0.948 27.682 1.00 10.00 H new ATOM 735 N ALA A 51 -9.410 4.974 28.281 1.00 10.00 N ATOM 736 CA ALA A 51 -8.729 5.494 29.500 1.00 10.00 C ATOM 737 C ALA A 51 -9.214 6.908 29.817 1.00 10.00 C ATOM 738 O ALA A 51 -9.417 7.268 30.960 1.00 10.00 O ATOM 739 CB ALA A 51 -7.240 5.502 29.150 1.00 12.50 C ATOM 0 H ALA A 51 -8.801 4.810 27.480 1.00 10.00 H new ATOM 0 HA ALA A 51 -8.937 4.885 30.379 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -6.668 5.874 30.000 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -6.917 4.489 28.911 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -7.072 6.149 28.289 1.00 12.50 H new ATOM 745 N ALA A 52 -9.400 7.713 28.811 1.00 10.00 N ATOM 746 CA ALA A 52 -9.871 9.109 29.046 1.00 10.00 C ATOM 747 C ALA A 52 -11.383 9.128 29.274 1.00 10.00 C ATOM 748 O ALA A 52 -11.891 9.881 30.080 1.00 10.00 O ATOM 749 CB ALA A 52 -9.505 9.873 27.774 1.00 10.00 C ATOM 0 H ALA A 52 -9.247 7.466 27.833 1.00 10.00 H new ATOM 0 HA ALA A 52 -9.415 9.554 29.930 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.820 10.912 27.870 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.426 9.834 27.624 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -10.007 9.419 26.920 1.00 10.00 H new ATOM 755 N GLU A 53 -12.105 8.303 28.570 1.00 10.00 N ATOM 756 CA GLU A 53 -13.586 8.272 28.748 1.00 10.00 C ATOM 757 C GLU A 53 -13.927 7.911 30.195 1.00 10.00 C ATOM 758 O GLU A 53 -14.934 8.331 30.730 1.00 10.00 O ATOM 759 CB GLU A 53 -14.084 7.190 27.789 1.00 10.00 C ATOM 760 CG GLU A 53 -15.614 7.179 27.784 1.00 10.00 C ATOM 761 CD GLU A 53 -16.133 8.565 27.396 1.00 10.00 C ATOM 762 OE1 GLU A 53 -16.328 9.374 28.288 1.00 10.00 O ATOM 763 OE2 GLU A 53 -16.327 8.795 26.214 1.00 10.00 O ATOM 0 H GLU A 53 -11.736 7.649 27.880 1.00 10.00 H new ATOM 0 HA GLU A 53 -14.050 9.236 28.540 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -13.708 7.379 26.784 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -13.704 6.215 28.094 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -15.981 6.432 27.080 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -15.990 6.901 28.769 1.00 10.00 H new ATOM 770 N ALA A 54 -13.092 7.138 30.830 1.00 10.00 N ATOM 771 CA ALA A 54 -13.362 6.750 32.245 1.00 10.00 C ATOM 772 C ALA A 54 -12.987 7.899 33.184 1.00 10.00 C ATOM 773 O ALA A 54 -13.246 7.856 34.370 1.00 10.00 O ATOM 774 CB ALA A 54 -12.467 5.536 32.500 1.00 50.00 C ATOM 0 H ALA A 54 -12.234 6.757 30.432 1.00 10.00 H new ATOM 0 HA ALA A 54 -14.414 6.524 32.420 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -12.608 5.189 33.524 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -12.731 4.737 31.807 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -11.424 5.815 32.352 1.00 50.00 H new ATOM 780 N GLN A 55 -12.377 8.929 32.661 1.00 10.00 N ATOM 781 CA GLN A 55 -11.985 10.081 33.522 1.00 10.00 C ATOM 782 C GLN A 55 -12.968 11.239 33.337 1.00 10.00 C ATOM 783 O GLN A 55 -13.101 12.095 34.190 1.00 10.00 O ATOM 784 CB GLN A 55 -10.590 10.481 33.040 1.00 10.00 C ATOM 785 CG GLN A 55 -9.541 9.636 33.766 1.00 10.00 C ATOM 786 CD GLN A 55 -9.079 10.371 35.025 1.00 10.00 C ATOM 787 OE1 GLN A 55 -8.703 11.525 34.965 1.00 10.00 O ATOM 788 NE2 GLN A 55 -9.093 9.748 36.171 1.00 10.00 N ATOM 0 H GLN A 55 -12.134 9.022 31.675 1.00 10.00 H new ATOM 0 HA GLN A 55 -11.992 9.824 34.581 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -10.509 10.335 31.963 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -10.416 11.540 33.232 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -9.960 8.665 34.031 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -8.692 9.448 33.109 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -9.409 8.779 36.221 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -8.788 10.230 37.017 1.00 10.00 H new ATOM 797 N GLY A 56 -13.659 11.272 32.230 1.00 10.00 N ATOM 798 CA GLY A 56 -14.633 12.375 31.993 1.00 10.00 C ATOM 799 C GLY A 56 -14.351 13.028 30.638 1.00 10.00 C ATOM 800 O GLY A 56 -14.972 14.004 30.269 1.00 10.00 O ATOM 0 H GLY A 56 -13.591 10.584 31.480 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -15.651 11.986 32.015 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -14.558 13.117 32.788 1.00 10.00 H new ATOM 804 N TYR A 57 -13.418 12.498 29.893 1.00 10.00 N ATOM 805 CA TYR A 57 -13.099 13.092 28.563 1.00 10.00 C ATOM 806 C TYR A 57 -14.051 12.550 27.495 1.00 10.00 C ATOM 807 O TYR A 57 -14.272 11.360 27.392 1.00 10.00 O ATOM 808 CB TYR A 57 -11.665 12.654 28.267 1.00 10.00 C ATOM 809 CG TYR A 57 -10.735 13.247 29.295 1.00 10.00 C ATOM 810 CD1 TYR A 57 -10.912 14.567 29.723 1.00 10.00 C ATOM 811 CD2 TYR A 57 -9.692 12.475 29.820 1.00 10.00 C ATOM 812 CE1 TYR A 57 -10.047 15.117 30.677 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.828 13.023 30.773 1.00 12.50 C ATOM 814 CZ TYR A 57 -9.005 14.344 31.202 1.00 12.50 C ATOM 815 OH TYR A 57 -8.152 14.884 32.143 1.00 12.50 O ATOM 0 H TYR A 57 -12.864 11.680 30.148 1.00 10.00 H new ATOM 0 HA TYR A 57 -13.206 14.177 28.563 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -11.595 11.566 28.283 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.374 12.978 27.268 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -11.717 15.162 29.317 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -9.555 11.456 29.489 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -10.184 16.136 31.007 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -8.024 12.427 31.178 1.00 12.50 H new ATOM 0 HH TYR A 57 -7.750 15.704 31.788 1.00 12.50 H new ATOM 825 N ASP A 58 -14.609 13.415 26.694 1.00 10.00 N ATOM 826 CA ASP A 58 -15.538 12.949 25.626 1.00 10.00 C ATOM 827 C ASP A 58 -14.918 13.205 24.251 1.00 10.00 C ATOM 828 O ASP A 58 -14.166 14.140 24.066 1.00 10.00 O ATOM 829 CB ASP A 58 -16.807 13.780 25.811 1.00 10.00 C ATOM 830 CG ASP A 58 -17.524 13.335 27.086 1.00 10.00 C ATOM 831 OD1 ASP A 58 -17.004 13.599 28.158 1.00 10.00 O ATOM 832 OD2 ASP A 58 -18.580 12.736 26.970 1.00 10.00 O ATOM 0 H ASP A 58 -14.462 14.424 26.733 1.00 10.00 H new ATOM 0 HA ASP A 58 -15.745 11.881 25.690 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -16.556 14.839 25.873 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -17.464 13.658 24.950 1.00 10.00 H new ATOM 837 N TRP A 59 -15.220 12.379 23.290 1.00 10.00 N ATOM 838 CA TRP A 59 -14.637 12.577 21.931 1.00 10.00 C ATOM 839 C TRP A 59 -15.731 12.501 20.864 1.00 10.00 C ATOM 840 O TRP A 59 -16.818 12.022 21.121 1.00 10.00 O ATOM 841 CB TRP A 59 -13.641 11.430 21.767 1.00 10.00 C ATOM 842 CG TRP A 59 -12.711 11.417 22.937 1.00 10.00 C ATOM 843 CD1 TRP A 59 -13.038 11.004 24.183 1.00 10.00 C ATOM 844 CD2 TRP A 59 -11.315 11.829 22.995 1.00 10.00 C ATOM 845 NE1 TRP A 59 -11.932 11.138 25.003 1.00 50.00 N ATOM 846 CE2 TRP A 59 -10.845 11.642 24.317 1.00 50.00 C ATOM 847 CE3 TRP A 59 -10.419 12.342 22.039 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -9.535 11.954 24.677 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -9.098 12.656 22.400 1.00 50.00 C ATOM 850 CH2 TRP A 59 -8.657 12.461 23.716 1.00 50.00 C ATOM 0 H TRP A 59 -15.843 11.577 23.384 1.00 10.00 H new ATOM 0 HA TRP A 59 -14.163 13.552 21.820 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -14.170 10.480 21.697 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -13.078 11.550 20.841 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -14.005 10.631 24.488 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -11.921 10.894 25.993 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -10.749 12.495 21.022 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -9.201 11.805 25.693 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -8.418 13.050 21.659 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -7.640 12.702 23.987 1.00 50.00 H new ATOM 861 N PRO A 60 -15.402 12.982 19.696 1.00 10.00 N ATOM 862 CA PRO A 60 -16.365 12.975 18.568 1.00 10.00 C ATOM 863 C PRO A 60 -16.588 11.546 18.066 1.00 10.00 C ATOM 864 O PRO A 60 -15.780 10.996 17.344 1.00 10.00 O ATOM 865 CB PRO A 60 -15.678 13.831 17.506 1.00 10.00 C ATOM 866 CG PRO A 60 -14.220 13.743 17.826 1.00 10.00 C ATOM 867 CD PRO A 60 -14.111 13.570 19.318 1.00 10.00 C ATOM 0 HA PRO A 60 -17.350 13.355 18.839 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -15.886 13.458 16.503 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -16.029 14.862 17.542 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -13.760 12.903 17.305 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -13.698 14.644 17.502 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -13.280 12.917 19.586 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -13.943 14.523 19.820 1.00 10.00 H new ATOM 1011 N ALA A 72 -10.459 11.792 15.322 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.373 13.278 15.425 1.00 10.00 C ATOM 1013 C ALA A 72 -9.403 13.685 16.540 1.00 10.00 C ATOM 1014 O ALA A 72 -9.769 14.378 17.470 1.00 10.00 O ATOM 1015 CB ALA A 72 -11.794 13.733 15.759 1.00 10.00 C ATOM 0 HA ALA A 72 -10.002 13.732 14.506 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -11.816 14.819 15.852 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -12.472 13.423 14.963 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -12.109 13.282 16.700 1.00 10.00 H new ATOM 1021 N SER A 73 -8.170 13.267 16.453 1.00 10.00 N ATOM 1022 CA SER A 73 -7.178 13.636 17.507 1.00 10.00 C ATOM 1023 C SER A 73 -5.959 14.309 16.868 1.00 10.00 C ATOM 1024 O SER A 73 -5.208 13.690 16.145 1.00 10.00 O ATOM 1025 CB SER A 73 -6.780 12.313 18.160 1.00 50.00 C ATOM 1026 OG SER A 73 -7.932 11.498 18.321 1.00 50.00 O ATOM 0 H SER A 73 -7.805 12.686 15.698 1.00 10.00 H new ATOM 0 HA SER A 73 -7.587 14.339 18.233 1.00 10.00 H new ATOM 0 HB2 SER A 73 -6.041 11.799 17.545 1.00 50.00 H new ATOM 0 HB3 SER A 73 -6.315 12.499 19.128 1.00 50.00 H new ATOM 0 HG SER A 73 -7.966 10.834 17.601 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.756 15.572 17.132 1.00 10.00 N ATOM 1033 CA ILE A 74 -4.589 16.282 16.539 1.00 10.00 C ATOM 1034 C ILE A 74 -3.371 16.137 17.451 1.00 10.00 C ATOM 1035 O ILE A 74 -3.018 17.040 18.182 1.00 10.00 O ATOM 1036 CB ILE A 74 -5.026 17.745 16.447 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -6.371 17.835 15.719 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.974 18.551 15.681 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -6.342 16.953 14.468 1.00 10.00 C ATOM 0 H ILE A 74 -6.350 16.142 17.734 1.00 10.00 H new ATOM 0 HA ILE A 74 -4.305 15.881 15.566 1.00 10.00 H new ATOM 0 HB ILE A 74 -5.130 18.153 17.453 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -7.176 17.516 16.381 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -6.577 18.869 15.442 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -4.289 19.593 15.618 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.019 18.492 16.203 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -3.864 18.143 14.676 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -7.300 17.020 13.953 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -5.548 17.292 13.802 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -6.157 15.918 14.757 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.727 15.004 17.414 1.00 10.00 N ATOM 1052 CA VAL A 75 -1.533 14.800 18.283 1.00 10.00 C ATOM 1053 C VAL A 75 -0.540 15.954 18.102 1.00 10.00 C ATOM 1054 O VAL A 75 -0.027 16.180 17.024 1.00 10.00 O ATOM 1055 CB VAL A 75 -0.919 13.481 17.813 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -0.246 13.686 16.454 1.00 50.00 C ATOM 1057 CG2 VAL A 75 0.120 13.008 18.832 1.00 50.00 C ATOM 0 H VAL A 75 -2.974 14.212 16.821 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.794 14.772 19.341 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.703 12.729 17.720 1.00 50.00 H new ATOM 0 HG11 VAL A 75 0.192 12.746 16.119 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -0.987 14.020 15.728 1.00 50.00 H new ATOM 0 HG13 VAL A 75 0.537 14.438 16.546 1.00 50.00 H new ATOM 0 HG21 VAL A 75 0.557 12.068 18.496 1.00 50.00 H new ATOM 0 HG22 VAL A 75 0.904 13.759 18.927 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -0.360 12.860 19.799 1.00 50.00 H new ATOM 1067 N LYS A 76 -0.268 16.687 19.148 1.00 10.00 N ATOM 1068 CA LYS A 76 0.689 17.824 19.032 1.00 10.00 C ATOM 1069 C LYS A 76 2.125 17.324 19.202 1.00 10.00 C ATOM 1070 O LYS A 76 3.075 18.011 18.882 1.00 10.00 O ATOM 1071 CB LYS A 76 0.313 18.774 20.170 1.00 25.00 C ATOM 1072 CG LYS A 76 0.893 20.164 19.890 1.00 25.00 C ATOM 1073 CD LYS A 76 0.394 20.664 18.533 1.00 50.00 C ATOM 1074 CE LYS A 76 -1.119 20.453 18.435 1.00 50.00 C ATOM 1075 NZ LYS A 76 -1.514 21.040 17.121 1.00 50.00 N ATOM 0 H LYS A 76 -0.667 16.548 20.076 1.00 10.00 H new ATOM 0 HA LYS A 76 0.636 18.312 18.059 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -0.771 18.833 20.265 1.00 25.00 H new ATOM 0 HB3 LYS A 76 0.695 18.393 21.117 1.00 25.00 H new ATOM 0 HG2 LYS A 76 0.596 20.858 20.676 1.00 25.00 H new ATOM 0 HG3 LYS A 76 1.982 20.123 19.896 1.00 25.00 H new ATOM 0 HD2 LYS A 76 0.633 21.721 18.413 1.00 50.00 H new ATOM 0 HD3 LYS A 76 0.899 20.129 17.729 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -1.373 19.394 18.485 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -1.639 20.944 19.258 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -2.539 20.931 16.986 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -1.268 22.050 17.104 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -1.010 20.548 16.356 1.00 50.00 H new ATOM 1089 N GLU A 77 2.290 16.131 19.704 1.00 10.00 N ATOM 1090 CA GLU A 77 3.665 15.586 19.895 1.00 10.00 C ATOM 1091 C GLU A 77 3.600 14.241 20.622 1.00 10.00 C ATOM 1092 O GLU A 77 2.654 13.951 21.328 1.00 10.00 O ATOM 1093 CB GLU A 77 4.389 16.625 20.752 1.00 10.00 C ATOM 1094 CG GLU A 77 5.652 17.094 20.025 1.00 10.00 C ATOM 1095 CD GLU A 77 6.787 17.268 21.036 1.00 25.00 C ATOM 1096 OE1 GLU A 77 6.531 17.110 22.219 1.00 25.00 O ATOM 1097 OE2 GLU A 77 7.893 17.556 20.611 1.00 25.00 O ATOM 0 H GLU A 77 1.533 15.510 19.990 1.00 10.00 H new ATOM 0 HA GLU A 77 4.177 15.413 18.948 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.732 17.473 20.947 1.00 10.00 H new ATOM 0 HB3 GLU A 77 4.651 16.196 21.719 1.00 10.00 H new ATOM 0 HG2 GLU A 77 5.937 16.368 19.263 1.00 10.00 H new ATOM 0 HG3 GLU A 77 5.460 18.036 19.511 1.00 10.00 H new ATOM 1104 N GLY A 78 4.597 13.416 20.454 1.00 10.00 N ATOM 1105 CA GLY A 78 4.589 12.092 21.136 1.00 10.00 C ATOM 1106 C GLY A 78 4.353 10.989 20.103 1.00 10.00 C ATOM 1107 O GLY A 78 4.722 11.113 18.952 1.00 10.00 O ATOM 0 H GLY A 78 5.416 13.602 19.875 1.00 10.00 H new ATOM 0 HA2 GLY A 78 5.537 11.929 21.648 1.00 10.00 H new ATOM 0 HA3 GLY A 78 3.808 12.067 21.896 1.00 10.00 H new ATOM 1111 N GLU A 79 3.741 9.909 20.505 1.00 10.00 N ATOM 1112 CA GLU A 79 3.483 8.798 19.544 1.00 10.00 C ATOM 1113 C GLU A 79 2.530 7.771 20.163 1.00 10.00 C ATOM 1114 O GLU A 79 2.651 7.416 21.319 1.00 10.00 O ATOM 1115 CB GLU A 79 4.853 8.172 19.288 1.00 25.00 C ATOM 1116 CG GLU A 79 4.689 6.920 18.424 1.00 25.00 C ATOM 1117 CD GLU A 79 6.059 6.281 18.187 1.00 50.00 C ATOM 1118 OE1 GLU A 79 6.571 5.668 19.109 1.00 50.00 O ATOM 1119 OE2 GLU A 79 6.572 6.415 17.088 1.00 50.00 O ATOM 0 H GLU A 79 3.409 9.747 21.456 1.00 10.00 H new ATOM 0 HA GLU A 79 3.016 9.148 18.624 1.00 10.00 H new ATOM 0 HB2 GLU A 79 5.504 8.889 18.788 1.00 25.00 H new ATOM 0 HB3 GLU A 79 5.329 7.914 20.234 1.00 25.00 H new ATOM 0 HG2 GLU A 79 4.025 6.210 18.916 1.00 25.00 H new ATOM 0 HG3 GLU A 79 4.228 7.180 17.471 1.00 25.00 H new ATOM 1126 N ILE A 80 1.585 7.293 19.402 1.00 10.00 N ATOM 1127 CA ILE A 80 0.625 6.290 19.945 1.00 10.00 C ATOM 1128 C ILE A 80 0.831 4.937 19.258 1.00 10.00 C ATOM 1129 O ILE A 80 1.063 4.864 18.068 1.00 10.00 O ATOM 1130 CB ILE A 80 -0.760 6.850 19.621 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -1.048 8.054 20.519 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -1.818 5.772 19.861 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -2.265 8.811 19.981 1.00 50.00 C ATOM 0 H ILE A 80 1.435 7.553 18.427 1.00 10.00 H new ATOM 0 HA ILE A 80 0.758 6.128 21.015 1.00 10.00 H new ATOM 0 HB ILE A 80 -0.788 7.160 18.576 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -1.234 7.723 21.541 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -0.181 8.713 20.551 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -2.805 6.173 19.630 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -1.615 4.914 19.220 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -1.789 5.460 20.905 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -2.471 9.669 20.620 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -2.061 9.154 18.967 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -3.131 8.149 19.972 1.00 50.00 H new ATOM 1145 N ASP A 81 0.744 3.864 19.996 1.00 10.00 N ATOM 1146 CA ASP A 81 0.933 2.520 19.380 1.00 10.00 C ATOM 1147 C ASP A 81 -0.355 2.084 18.675 1.00 10.00 C ATOM 1148 O ASP A 81 -1.387 1.920 19.294 1.00 10.00 O ATOM 1149 CB ASP A 81 1.246 1.589 20.551 1.00 10.00 C ATOM 1150 CG ASP A 81 2.752 1.319 20.601 1.00 10.00 C ATOM 1151 OD1 ASP A 81 3.460 1.870 19.774 1.00 10.00 O ATOM 1152 OD2 ASP A 81 3.170 0.566 21.465 1.00 10.00 O ATOM 0 H ASP A 81 0.550 3.860 20.997 1.00 10.00 H new ATOM 0 HA ASP A 81 1.726 2.512 18.632 1.00 10.00 H new ATOM 0 HB2 ASP A 81 0.916 2.040 21.487 1.00 10.00 H new ATOM 0 HB3 ASP A 81 0.701 0.651 20.440 1.00 10.00 H new ATOM 1157 N MET A 82 -0.303 1.900 17.384 1.00 12.50 N ATOM 1158 CA MET A 82 -1.527 1.482 16.642 1.00 12.50 C ATOM 1159 C MET A 82 -1.467 -0.011 16.304 1.00 12.50 C ATOM 1160 O MET A 82 -0.565 -0.715 16.711 1.00 12.50 O ATOM 1161 CB MET A 82 -1.522 2.323 15.365 1.00 12.50 C ATOM 1162 CG MET A 82 -1.300 3.793 15.724 1.00 12.50 C ATOM 1163 SD MET A 82 -2.437 4.825 14.767 1.00 12.50 S ATOM 1164 CE MET A 82 -1.579 4.693 13.179 1.00 50.00 C ATOM 0 H MET A 82 0.532 2.021 16.811 1.00 12.50 H new ATOM 0 HA MET A 82 -2.433 1.633 17.228 1.00 12.50 H new ATOM 0 HB2 MET A 82 -0.736 1.979 14.693 1.00 12.50 H new ATOM 0 HB3 MET A 82 -2.468 2.206 14.836 1.00 12.50 H new ATOM 0 HG2 MET A 82 -1.463 3.947 16.791 1.00 12.50 H new ATOM 0 HG3 MET A 82 -0.269 4.078 15.514 1.00 12.50 H new ATOM 0 HE1 MET A 82 -1.295 5.688 12.835 1.00 50.00 H new ATOM 0 HE2 MET A 82 -0.685 4.081 13.298 1.00 50.00 H new ATOM 0 HE3 MET A 82 -2.240 4.231 12.446 1.00 50.00 H new ATOM 1174 N ASP A 83 -2.426 -0.495 15.563 1.00 50.00 N ATOM 1175 CA ASP A 83 -2.434 -1.941 15.197 1.00 50.00 C ATOM 1176 C ASP A 83 -1.187 -2.296 14.383 1.00 50.00 C ATOM 1177 O ASP A 83 -0.391 -1.444 14.040 1.00 50.00 O ATOM 1178 CB ASP A 83 -3.694 -2.127 14.351 1.00 50.00 C ATOM 1179 CG ASP A 83 -3.708 -1.094 13.223 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -2.723 -1.011 12.508 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -4.706 -0.403 13.091 1.00 50.00 O ATOM 0 H ASP A 83 -3.206 0.049 15.194 1.00 50.00 H new ATOM 0 HA ASP A 83 -2.430 -2.586 16.076 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -3.721 -3.135 13.936 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -4.582 -2.014 14.973 1.00 50.00 H new ATOM 1275 N SER A 89 -0.897 8.434 5.509 1.00 12.50 N ATOM 1276 CA SER A 89 0.430 9.000 5.134 1.00 12.50 C ATOM 1277 C SER A 89 0.925 9.944 6.231 1.00 12.50 C ATOM 1278 O SER A 89 0.152 10.475 7.003 1.00 12.50 O ATOM 1279 CB SER A 89 0.182 9.768 3.836 1.00 12.50 C ATOM 1280 OG SER A 89 0.287 8.880 2.732 1.00 12.50 O ATOM 0 HA SER A 89 1.190 8.229 5.009 1.00 12.50 H new ATOM 0 HB2 SER A 89 -0.807 10.226 3.855 1.00 12.50 H new ATOM 0 HB3 SER A 89 0.906 10.577 3.736 1.00 12.50 H new ATOM 0 HG SER A 89 0.126 9.372 1.900 1.00 12.50 H new ATOM 1286 N ASP A 90 2.210 10.157 6.309 1.00 10.00 N ATOM 1287 CA ASP A 90 2.753 11.065 7.360 1.00 10.00 C ATOM 1288 C ASP A 90 2.229 12.488 7.154 1.00 10.00 C ATOM 1289 O ASP A 90 1.924 13.190 8.097 1.00 10.00 O ATOM 1290 CB ASP A 90 4.269 11.018 7.181 1.00 10.00 C ATOM 1291 CG ASP A 90 4.938 10.839 8.546 1.00 10.00 C ATOM 1292 OD1 ASP A 90 4.690 11.654 9.418 1.00 10.00 O ATOM 1293 OD2 ASP A 90 5.690 9.889 8.695 1.00 10.00 O ATOM 0 H ASP A 90 2.907 9.742 5.691 1.00 10.00 H new ATOM 0 HA ASP A 90 2.453 10.761 8.363 1.00 10.00 H new ATOM 0 HB2 ASP A 90 4.543 10.196 6.519 1.00 10.00 H new ATOM 0 HB3 ASP A 90 4.619 11.937 6.710 1.00 10.00 H new ATOM 1298 N GLU A 91 2.115 12.915 5.927 1.00 12.50 N ATOM 1299 CA GLU A 91 1.606 14.292 5.663 1.00 12.50 C ATOM 1300 C GLU A 91 0.311 14.511 6.439 1.00 12.50 C ATOM 1301 O GLU A 91 -0.004 15.608 6.853 1.00 12.50 O ATOM 1302 CB GLU A 91 1.349 14.342 4.156 1.00 12.50 C ATOM 1303 CG GLU A 91 1.744 15.719 3.619 1.00 12.50 C ATOM 1304 CD GLU A 91 3.101 15.625 2.918 1.00 50.00 C ATOM 1305 OE1 GLU A 91 4.028 15.121 3.531 1.00 50.00 O ATOM 1306 OE2 GLU A 91 3.190 16.058 1.782 1.00 50.00 O ATOM 0 H GLU A 91 2.351 12.372 5.097 1.00 12.50 H new ATOM 0 HA GLU A 91 2.307 15.067 5.974 1.00 12.50 H new ATOM 0 HB2 GLU A 91 1.923 13.564 3.652 1.00 12.50 H new ATOM 0 HB3 GLU A 91 0.297 14.147 3.949 1.00 12.50 H new ATOM 0 HG2 GLU A 91 0.987 16.080 2.922 1.00 12.50 H new ATOM 0 HG3 GLU A 91 1.794 16.439 4.436 1.00 12.50 H new ATOM 1313 N GLU A 92 -0.436 13.465 6.647 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.708 13.599 7.408 1.00 10.00 C ATOM 1315 C GLU A 92 -1.399 13.787 8.894 1.00 10.00 C ATOM 1316 O GLU A 92 -1.942 14.655 9.549 1.00 10.00 O ATOM 1317 CB GLU A 92 -2.453 12.283 7.174 1.00 50.00 C ATOM 1318 CG GLU A 92 -3.919 12.577 6.853 1.00 50.00 C ATOM 1319 CD GLU A 92 -4.728 11.281 6.932 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -4.892 10.774 8.031 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -5.170 10.816 5.894 1.00 50.00 O ATOM 0 H GLU A 92 -0.221 12.522 6.323 1.00 10.00 H new ATOM 0 HA GLU A 92 -2.299 14.457 7.089 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -1.993 11.733 6.353 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -2.383 11.651 8.059 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -4.316 13.310 7.555 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -4.004 13.011 5.857 1.00 50.00 H new ATOM 1328 N VAL A 93 -0.519 12.983 9.427 1.00 10.00 N ATOM 1329 CA VAL A 93 -0.160 13.116 10.868 1.00 10.00 C ATOM 1330 C VAL A 93 0.843 14.259 11.049 1.00 10.00 C ATOM 1331 O VAL A 93 1.198 14.619 12.155 1.00 10.00 O ATOM 1332 CB VAL A 93 0.475 11.777 11.243 1.00 10.00 C ATOM 1333 CG1 VAL A 93 0.939 11.821 12.701 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -0.557 10.659 11.070 1.00 10.00 C ATOM 0 H VAL A 93 -0.033 12.239 8.926 1.00 10.00 H new ATOM 0 HA VAL A 93 -1.022 13.343 11.495 1.00 10.00 H new ATOM 0 HB VAL A 93 1.331 11.587 10.596 1.00 10.00 H new ATOM 0 HG11 VAL A 93 1.392 10.866 12.968 1.00 10.00 H new ATOM 0 HG12 VAL A 93 1.673 12.618 12.826 1.00 10.00 H new ATOM 0 HG13 VAL A 93 0.084 12.011 13.349 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -0.106 9.703 11.337 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -1.413 10.850 11.718 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -0.888 10.627 10.032 1.00 10.00 H new ATOM 1344 N GLU A 94 1.299 14.834 9.969 1.00 12.50 N ATOM 1345 CA GLU A 94 2.275 15.956 10.072 1.00 12.50 C ATOM 1346 C GLU A 94 1.552 17.295 9.912 1.00 12.50 C ATOM 1347 O GLU A 94 1.822 18.248 10.616 1.00 12.50 O ATOM 1348 CB GLU A 94 3.252 15.736 8.915 1.00 12.50 C ATOM 1349 CG GLU A 94 4.214 14.600 9.265 1.00 12.50 C ATOM 1350 CD GLU A 94 5.581 14.879 8.635 1.00 12.50 C ATOM 1351 OE1 GLU A 94 5.621 15.591 7.646 1.00 12.50 O ATOM 1352 OE2 GLU A 94 6.564 14.373 9.151 1.00 12.50 O ATOM 0 H GLU A 94 1.037 14.574 9.018 1.00 12.50 H new ATOM 0 HA GLU A 94 2.782 15.978 11.037 1.00 12.50 H new ATOM 0 HB2 GLU A 94 2.704 15.495 8.004 1.00 12.50 H new ATOM 0 HB3 GLU A 94 3.810 16.651 8.718 1.00 12.50 H new ATOM 0 HG2 GLU A 94 4.311 14.511 10.347 1.00 12.50 H new ATOM 0 HG3 GLU A 94 3.821 13.651 8.902 1.00 12.50 H new ATOM 1359 N GLU A 95 0.633 17.374 8.988 1.00 12.50 N ATOM 1360 CA GLU A 95 -0.109 18.649 8.780 1.00 12.50 C ATOM 1361 C GLU A 95 -1.347 18.697 9.680 1.00 12.50 C ATOM 1362 O GLU A 95 -1.559 19.648 10.406 1.00 12.50 O ATOM 1363 CB GLU A 95 -0.519 18.632 7.307 1.00 25.00 C ATOM 1364 CG GLU A 95 0.663 19.080 6.445 1.00 25.00 C ATOM 1365 CD GLU A 95 0.147 19.901 5.262 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -1.019 20.261 5.279 1.00 50.00 O ATOM 1367 OE2 GLU A 95 0.927 20.156 4.357 1.00 50.00 O ATOM 0 H GLU A 95 0.364 16.610 8.368 1.00 12.50 H new ATOM 0 HA GLU A 95 0.495 19.522 9.027 1.00 12.50 H new ATOM 0 HB2 GLU A 95 -0.835 17.630 7.018 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -1.371 19.293 7.148 1.00 25.00 H new ATOM 0 HG2 GLU A 95 1.356 19.675 7.040 1.00 25.00 H new ATOM 0 HG3 GLU A 95 1.215 18.212 6.086 1.00 25.00 H new ATOM 1374 N LYS A 96 -2.167 17.683 9.637 1.00 25.00 N ATOM 1375 CA LYS A 96 -3.389 17.679 10.492 1.00 25.00 C ATOM 1376 C LYS A 96 -3.074 17.066 11.859 1.00 25.00 C ATOM 1377 O LYS A 96 -3.721 17.360 12.844 1.00 25.00 O ATOM 1378 CB LYS A 96 -4.403 16.819 9.737 1.00 25.00 C ATOM 1379 CG LYS A 96 -5.144 17.684 8.715 1.00 25.00 C ATOM 1380 CD LYS A 96 -4.910 17.128 7.309 1.00 25.00 C ATOM 1381 CE LYS A 96 -5.411 15.684 7.241 1.00 25.00 C ATOM 1382 NZ LYS A 96 -6.832 15.794 6.804 1.00 25.00 N ATOM 0 H LYS A 96 -2.045 16.859 9.049 1.00 25.00 H new ATOM 0 HA LYS A 96 -3.768 18.685 10.674 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -3.895 15.997 9.233 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -5.112 16.375 10.436 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -6.211 17.697 8.939 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -4.793 18.714 8.773 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -5.431 17.740 6.573 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -3.849 17.168 7.063 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -4.825 15.095 6.536 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -5.332 15.192 8.210 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -7.248 14.843 6.733 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -7.366 16.355 7.498 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -6.875 16.261 5.876 1.00 25.00 H new ATOM 1396 N ASP A 97 -2.084 16.218 11.927 1.00 10.00 N ATOM 1397 CA ASP A 97 -1.728 15.589 13.234 1.00 10.00 C ATOM 1398 C ASP A 97 -2.848 14.653 13.688 1.00 10.00 C ATOM 1399 O ASP A 97 -3.036 14.421 14.866 1.00 10.00 O ATOM 1400 CB ASP A 97 -1.581 16.750 14.222 1.00 50.00 C ATOM 1401 CG ASP A 97 -0.898 17.936 13.536 1.00 50.00 C ATOM 1402 OD1 ASP A 97 -0.168 17.706 12.586 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -1.117 19.055 13.972 1.00 50.00 O ATOM 0 H ASP A 97 -1.506 15.933 11.136 1.00 10.00 H new ATOM 0 HA ASP A 97 -0.815 14.998 13.164 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -2.561 17.049 14.593 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -0.996 16.432 15.085 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.599 14.118 12.767 1.00 10.00 N ATOM 1409 CA VAL A 98 -4.709 13.205 13.157 1.00 10.00 C ATOM 1410 C VAL A 98 -4.191 11.773 13.313 1.00 10.00 C ATOM 1411 O VAL A 98 -3.173 11.406 12.759 1.00 10.00 O ATOM 1412 CB VAL A 98 -5.716 13.290 12.008 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -5.078 12.747 10.729 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -6.954 12.462 12.354 1.00 50.00 C ATOM 0 H VAL A 98 -3.493 14.273 11.764 1.00 10.00 H new ATOM 0 HA VAL A 98 -5.155 13.485 14.111 1.00 10.00 H new ATOM 0 HB VAL A 98 -6.006 14.329 11.854 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -5.795 12.808 9.911 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -4.196 13.338 10.483 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -4.787 11.707 10.880 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -7.672 12.522 11.536 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -6.665 11.422 12.508 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -7.409 12.851 13.265 1.00 50.00 H new ATOM 1424 N ARG A 99 -4.885 10.961 14.064 1.00 10.00 N ATOM 1425 CA ARG A 99 -4.435 9.552 14.256 1.00 10.00 C ATOM 1426 C ARG A 99 -5.591 8.699 14.784 1.00 10.00 C ATOM 1427 O ARG A 99 -6.738 9.100 14.745 1.00 10.00 O ATOM 1428 CB ARG A 99 -3.310 9.630 15.288 1.00 50.00 C ATOM 1429 CG ARG A 99 -2.068 8.921 14.741 1.00 50.00 C ATOM 1430 CD ARG A 99 -0.869 9.224 15.640 1.00 50.00 C ATOM 1431 NE ARG A 99 0.301 8.639 14.926 1.00 50.00 N ATOM 1432 CZ ARG A 99 1.509 9.031 15.222 1.00 50.00 C ATOM 1433 NH1 ARG A 99 1.812 9.337 16.455 1.00 50.00 N ATOM 1434 NH2 ARG A 99 2.415 9.117 14.287 1.00 50.00 N ATOM 0 H ARG A 99 -5.744 11.212 14.553 1.00 10.00 H new ATOM 0 HA ARG A 99 -4.100 9.094 13.325 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -3.079 10.671 15.512 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -3.626 9.165 16.222 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -2.240 7.846 14.697 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -1.866 9.253 13.723 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -0.746 10.297 15.787 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -0.993 8.779 16.627 1.00 50.00 H new ATOM 0 HE ARG A 99 0.157 7.932 14.205 1.00 50.00 H new ATOM 0 HH11 ARG A 99 1.104 9.269 17.186 1.00 50.00 H new ATOM 0 HH12 ARG A 99 2.757 9.644 16.687 1.00 50.00 H new ATOM 0 HH21 ARG A 99 2.178 8.878 13.324 1.00 50.00 H new ATOM 0 HH22 ARG A 99 3.360 9.424 14.519 1.00 50.00 H new ATOM 1448 N LEU A 100 -5.303 7.525 15.277 1.00 10.00 N ATOM 1449 CA LEU A 100 -6.392 6.655 15.804 1.00 10.00 C ATOM 1450 C LEU A 100 -6.332 6.594 17.333 1.00 10.00 C ATOM 1451 O LEU A 100 -5.314 6.269 17.913 1.00 10.00 O ATOM 1452 CB LEU A 100 -6.128 5.276 15.200 1.00 10.00 C ATOM 1453 CG LEU A 100 -6.763 5.200 13.809 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -5.840 5.874 12.790 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -6.968 3.735 13.421 1.00 10.00 C ATOM 0 H LEU A 100 -4.364 7.132 15.337 1.00 10.00 H new ATOM 0 HA LEU A 100 -7.381 7.031 15.542 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -5.055 5.096 15.132 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -6.542 4.500 15.844 1.00 10.00 H new ATOM 0 HG LEU A 100 -7.726 5.710 13.821 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -6.291 5.820 11.799 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -5.694 6.918 13.066 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -4.877 5.364 12.778 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -7.420 3.681 12.431 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -6.005 3.224 13.409 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -7.625 3.255 14.146 1.00 10.00 H new ATOM 1467 N THR A 101 -7.416 6.904 17.989 1.00 10.00 N ATOM 1468 CA THR A 101 -7.425 6.866 19.481 1.00 10.00 C ATOM 1469 C THR A 101 -8.600 6.021 19.980 1.00 10.00 C ATOM 1470 O THR A 101 -8.864 5.945 21.164 1.00 10.00 O ATOM 1471 CB THR A 101 -7.591 8.323 19.914 1.00 10.00 C ATOM 1472 OG1 THR A 101 -7.623 8.391 21.333 1.00 10.00 O ATOM 1473 CG2 THR A 101 -8.897 8.881 19.346 1.00 10.00 C ATOM 0 H THR A 101 -8.297 7.182 17.557 1.00 10.00 H new ATOM 0 HA THR A 101 -6.517 6.421 19.888 1.00 10.00 H new ATOM 0 HB THR A 101 -6.754 8.912 19.539 1.00 10.00 H new ATOM 0 HG1 THR A 101 -8.067 7.593 21.689 1.00 10.00 H new ATOM 0 HG21 THR A 101 -9.014 9.920 19.655 1.00 10.00 H new ATOM 0 HG22 THR A 101 -8.873 8.827 18.258 1.00 10.00 H new ATOM 0 HG23 THR A 101 -9.736 8.294 19.720 1.00 10.00 H new ATOM 1481 N CYS A 102 -9.310 5.389 19.086 1.00 10.00 N ATOM 1482 CA CYS A 102 -10.470 4.551 19.509 1.00 10.00 C ATOM 1483 C CYS A 102 -9.985 3.192 20.020 1.00 10.00 C ATOM 1484 O CYS A 102 -10.598 2.582 20.872 1.00 10.00 O ATOM 1485 CB CYS A 102 -11.314 4.381 18.245 1.00 10.00 C ATOM 1486 SG CYS A 102 -11.923 5.997 17.705 1.00 10.00 S ATOM 0 H CYS A 102 -9.138 5.416 18.081 1.00 10.00 H new ATOM 0 HA CYS A 102 -11.037 5.008 20.320 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -10.718 3.923 17.456 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -12.152 3.712 18.441 1.00 10.00 H new ATOM 0 HG CYS A 102 -12.639 5.854 16.629 1.00 10.00 H new ATOM 1491 N ILE A 103 -8.884 2.713 19.507 1.00 10.00 N ATOM 1492 CA ILE A 103 -8.357 1.396 19.963 1.00 10.00 C ATOM 1493 C ILE A 103 -6.827 1.408 19.946 1.00 10.00 C ATOM 1494 O ILE A 103 -6.189 0.384 19.797 1.00 10.00 O ATOM 1495 CB ILE A 103 -8.899 0.377 18.958 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -8.730 0.921 17.537 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -10.383 0.128 19.235 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -9.164 -0.145 16.529 1.00 50.00 C ATOM 0 H ILE A 103 -8.326 3.178 18.791 1.00 10.00 H new ATOM 0 HA ILE A 103 -8.663 1.160 20.982 1.00 10.00 H new ATOM 0 HB ILE A 103 -8.348 -0.558 19.057 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -9.327 1.824 17.408 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -7.690 1.199 17.364 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -10.770 -0.598 18.520 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -10.504 -0.259 20.247 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -10.934 1.064 19.136 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -9.044 0.241 15.517 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -8.548 -1.035 16.653 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -10.210 -0.401 16.698 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.234 2.561 20.096 1.00 10.00 N ATOM 1511 CA GLY A 104 -4.746 2.641 20.089 1.00 10.00 C ATOM 1512 C GLY A 104 -4.247 2.953 21.500 1.00 10.00 C ATOM 1513 O GLY A 104 -4.991 3.410 22.345 1.00 10.00 O ATOM 0 H GLY A 104 -6.716 3.451 20.223 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -4.322 1.699 19.742 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -4.416 3.414 19.395 1.00 10.00 H new ATOM 1517 N SER A 105 -2.992 2.709 21.764 1.00 10.00 N ATOM 1518 CA SER A 105 -2.449 2.992 23.123 1.00 10.00 C ATOM 1519 C SER A 105 -1.263 3.957 23.029 1.00 10.00 C ATOM 1520 O SER A 105 -0.734 4.188 21.960 1.00 10.00 O ATOM 1521 CB SER A 105 -1.996 1.635 23.660 1.00 10.00 C ATOM 1522 OG SER A 105 -1.429 0.874 22.603 1.00 10.00 O ATOM 0 H SER A 105 -2.320 2.327 21.098 1.00 10.00 H new ATOM 0 HA SER A 105 -3.188 3.461 23.773 1.00 10.00 H new ATOM 0 HB2 SER A 105 -1.265 1.773 24.457 1.00 10.00 H new ATOM 0 HB3 SER A 105 -2.842 1.102 24.093 1.00 10.00 H new ATOM 0 HG SER A 105 -1.136 0.004 22.947 1.00 10.00 H new ATOM 1528 N PRO A 106 -0.886 4.487 24.159 1.00 10.00 N ATOM 1529 CA PRO A 106 0.250 5.440 24.215 1.00 10.00 C ATOM 1530 C PRO A 106 1.575 4.709 23.984 1.00 10.00 C ATOM 1531 O PRO A 106 1.894 3.752 24.660 1.00 10.00 O ATOM 1532 CB PRO A 106 0.176 6.004 25.631 1.00 10.00 C ATOM 1533 CG PRO A 106 -0.534 4.955 26.427 1.00 10.00 C ATOM 1534 CD PRO A 106 -1.476 4.252 25.483 1.00 10.00 C ATOM 0 HA PRO A 106 0.197 6.215 23.451 1.00 10.00 H new ATOM 0 HB2 PRO A 106 1.171 6.198 26.032 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -0.366 6.950 25.652 1.00 10.00 H new ATOM 0 HG2 PRO A 106 0.177 4.251 26.859 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -1.081 5.404 27.256 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -1.546 3.187 25.707 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -2.485 4.658 25.549 1.00 10.00 H new ATOM 1542 N ALA A 107 2.349 5.156 23.033 1.00 10.00 N ATOM 1543 CA ALA A 107 3.655 4.490 22.758 1.00 10.00 C ATOM 1544 C ALA A 107 4.806 5.340 23.301 1.00 10.00 C ATOM 1545 O ALA A 107 5.907 4.863 23.492 1.00 10.00 O ATOM 1546 CB ALA A 107 3.734 4.389 21.234 1.00 50.00 C ATOM 0 H ALA A 107 2.134 5.953 22.434 1.00 10.00 H new ATOM 0 HA ALA A 107 3.730 3.513 23.235 1.00 10.00 H new ATOM 0 HB1 ALA A 107 4.670 3.908 20.949 1.00 50.00 H new ATOM 0 HB2 ALA A 107 2.896 3.798 20.865 1.00 50.00 H new ATOM 0 HB3 ALA A 107 3.693 5.388 20.801 1.00 50.00 H new ATOM 1552 N ALA A 108 4.559 6.597 23.552 1.00 10.00 N ATOM 1553 CA ALA A 108 5.638 7.477 24.084 1.00 10.00 C ATOM 1554 C ALA A 108 5.305 7.919 25.512 1.00 10.00 C ATOM 1555 O ALA A 108 4.193 8.312 25.806 1.00 10.00 O ATOM 1556 CB ALA A 108 5.666 8.683 23.144 1.00 50.00 C ATOM 0 H ALA A 108 3.657 7.052 23.412 1.00 10.00 H new ATOM 0 HA ALA A 108 6.601 6.969 24.125 1.00 10.00 H new ATOM 0 HB1 ALA A 108 6.438 9.380 23.470 1.00 50.00 H new ATOM 0 HB2 ALA A 108 5.884 8.349 22.130 1.00 50.00 H new ATOM 0 HB3 ALA A 108 4.696 9.181 23.162 1.00 50.00 H new ATOM 1562 N ASP A 109 6.259 7.858 26.399 1.00 50.00 N ATOM 1563 CA ASP A 109 5.996 8.275 27.806 1.00 50.00 C ATOM 1564 C ASP A 109 5.173 9.566 27.828 1.00 50.00 C ATOM 1565 O ASP A 109 4.108 9.625 28.409 1.00 50.00 O ATOM 1566 CB ASP A 109 7.379 8.510 28.413 1.00 50.00 C ATOM 1567 CG ASP A 109 7.649 7.459 29.492 1.00 50.00 C ATOM 1568 OD1 ASP A 109 6.694 6.867 29.966 1.00 50.00 O ATOM 1569 OD2 ASP A 109 8.806 7.263 29.825 1.00 50.00 O ATOM 0 H ASP A 109 7.209 7.538 26.211 1.00 50.00 H new ATOM 0 HA ASP A 109 5.429 7.527 28.361 1.00 50.00 H new ATOM 0 HB2 ASP A 109 8.142 8.454 27.637 1.00 50.00 H new ATOM 0 HB3 ASP A 109 7.434 9.510 28.843 1.00 50.00 H new ATOM 1574 N GLU A 110 5.659 10.599 27.196 1.00 10.00 N ATOM 1575 CA GLU A 110 4.903 11.885 27.177 1.00 10.00 C ATOM 1576 C GLU A 110 4.345 12.147 25.776 1.00 10.00 C ATOM 1577 O GLU A 110 5.045 12.038 24.789 1.00 10.00 O ATOM 1578 CB GLU A 110 5.929 12.952 27.556 1.00 10.00 C ATOM 1579 CG GLU A 110 6.923 13.133 26.407 1.00 10.00 C ATOM 1580 CD GLU A 110 6.432 14.248 25.481 1.00 50.00 C ATOM 1581 OE1 GLU A 110 5.437 14.870 25.813 1.00 50.00 O ATOM 1582 OE2 GLU A 110 7.061 14.459 24.458 1.00 50.00 O ATOM 0 H GLU A 110 6.546 10.609 26.692 1.00 10.00 H new ATOM 0 HA GLU A 110 4.054 11.877 27.860 1.00 10.00 H new ATOM 0 HB2 GLU A 110 5.427 13.896 27.769 1.00 10.00 H new ATOM 0 HB3 GLU A 110 6.456 12.659 28.464 1.00 10.00 H new ATOM 0 HG2 GLU A 110 7.909 13.380 26.800 1.00 10.00 H new ATOM 0 HG3 GLU A 110 7.026 12.202 25.850 1.00 10.00 H new ATOM 1589 N VAL A 111 3.089 12.490 25.679 1.00 10.00 N ATOM 1590 CA VAL A 111 2.491 12.754 24.339 1.00 10.00 C ATOM 1591 C VAL A 111 1.502 13.921 24.416 1.00 10.00 C ATOM 1592 O VAL A 111 0.949 14.213 25.457 1.00 10.00 O ATOM 1593 CB VAL A 111 1.766 11.459 23.972 1.00 12.50 C ATOM 1594 CG1 VAL A 111 1.167 11.587 22.571 1.00 12.50 C ATOM 1595 CG2 VAL A 111 2.761 10.295 23.998 1.00 12.50 C ATOM 0 H VAL A 111 2.452 12.599 26.468 1.00 10.00 H new ATOM 0 HA VAL A 111 3.242 13.028 23.598 1.00 10.00 H new ATOM 0 HB VAL A 111 0.968 11.273 24.691 1.00 12.50 H new ATOM 0 HG11 VAL A 111 0.650 10.663 22.310 1.00 12.50 H new ATOM 0 HG12 VAL A 111 0.460 12.416 22.552 1.00 12.50 H new ATOM 0 HG13 VAL A 111 1.963 11.773 21.850 1.00 12.50 H new ATOM 0 HG21 VAL A 111 2.246 9.370 23.737 1.00 12.50 H new ATOM 0 HG22 VAL A 111 3.559 10.482 23.279 1.00 12.50 H new ATOM 0 HG23 VAL A 111 3.187 10.203 24.997 1.00 12.50 H new ATOM 1605 N LYS A 112 1.276 14.591 23.317 1.00 10.00 N ATOM 1606 CA LYS A 112 0.323 15.739 23.324 1.00 10.00 C ATOM 1607 C LYS A 112 -0.662 15.614 22.156 1.00 10.00 C ATOM 1608 O LYS A 112 -0.302 15.200 21.071 1.00 10.00 O ATOM 1609 CB LYS A 112 1.197 16.984 23.160 1.00 25.00 C ATOM 1610 CG LYS A 112 2.288 16.987 24.233 1.00 25.00 C ATOM 1611 CD LYS A 112 2.233 18.304 25.013 1.00 25.00 C ATOM 1612 CE LYS A 112 3.533 19.082 24.794 1.00 25.00 C ATOM 1613 NZ LYS A 112 3.139 20.255 23.962 1.00 25.00 N ATOM 0 H LYS A 112 1.710 14.393 22.415 1.00 10.00 H new ATOM 0 HA LYS A 112 -0.270 15.778 24.238 1.00 10.00 H new ATOM 0 HB2 LYS A 112 1.648 16.997 22.168 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.587 17.883 23.244 1.00 25.00 H new ATOM 0 HG2 LYS A 112 2.149 16.145 24.911 1.00 25.00 H new ATOM 0 HG3 LYS A 112 3.268 16.866 23.771 1.00 25.00 H new ATOM 0 HD2 LYS A 112 1.381 18.899 24.684 1.00 25.00 H new ATOM 0 HD3 LYS A 112 2.091 18.104 26.075 1.00 25.00 H new ATOM 0 HE2 LYS A 112 3.969 19.398 25.742 1.00 25.00 H new ATOM 0 HE3 LYS A 112 4.280 18.470 24.287 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 3.977 20.840 23.768 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 2.733 19.923 23.064 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 2.432 20.822 24.473 1.00 25.00 H new ATOM 1627 N ILE A 113 -1.899 15.969 22.369 1.00 10.00 N ATOM 1628 CA ILE A 113 -2.908 15.873 21.274 1.00 10.00 C ATOM 1629 C ILE A 113 -4.109 16.772 21.579 1.00 10.00 C ATOM 1630 O ILE A 113 -4.378 17.099 22.718 1.00 10.00 O ATOM 1631 CB ILE A 113 -3.332 14.404 21.254 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -4.328 14.175 20.115 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -3.993 14.048 22.588 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -3.880 12.975 19.277 1.00 10.00 C ATOM 0 H ILE A 113 -2.257 16.323 23.256 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.506 16.196 20.314 1.00 10.00 H new ATOM 0 HB ILE A 113 -2.455 13.774 21.101 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.324 13.998 20.520 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -4.392 15.065 19.489 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -4.296 13.001 22.576 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -3.285 14.211 23.400 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.870 14.678 22.739 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -4.590 12.812 18.466 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -2.892 13.171 18.861 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -3.839 12.086 19.907 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.841 17.166 20.571 1.00 10.00 N ATOM 1647 CA VAL A 114 -6.030 18.034 20.810 1.00 10.00 C ATOM 1648 C VAL A 114 -7.308 17.216 20.614 1.00 10.00 C ATOM 1649 O VAL A 114 -7.581 16.723 19.538 1.00 10.00 O ATOM 1650 CB VAL A 114 -5.935 19.149 19.766 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -6.869 20.296 20.154 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -4.496 19.667 19.700 1.00 50.00 C ATOM 0 H VAL A 114 -4.667 16.925 19.595 1.00 10.00 H new ATOM 0 HA VAL A 114 -6.055 18.439 21.822 1.00 10.00 H new ATOM 0 HB VAL A 114 -6.227 18.756 18.792 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -6.800 21.089 19.409 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -7.895 19.930 20.201 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -6.579 20.687 21.129 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -4.429 20.461 18.956 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -4.205 20.058 20.675 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -3.828 18.852 19.422 1.00 50.00 H new ATOM 1662 N TYR A 115 -8.089 17.058 21.647 1.00 10.00 N ATOM 1663 CA TYR A 115 -9.342 16.261 21.517 1.00 10.00 C ATOM 1664 C TYR A 115 -10.448 17.110 20.872 1.00 10.00 C ATOM 1665 O TYR A 115 -10.437 18.323 20.947 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.685 15.832 22.959 1.00 50.00 C ATOM 1667 CG TYR A 115 -10.843 16.634 23.515 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -10.629 17.921 24.021 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -12.129 16.083 23.523 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -11.703 18.658 24.535 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -13.203 16.819 24.037 1.00 50.00 C ATOM 1672 CZ TYR A 115 -12.989 18.107 24.543 1.00 50.00 C ATOM 1673 OH TYR A 115 -14.048 18.835 25.049 1.00 50.00 O ATOM 0 H TYR A 115 -7.914 17.446 22.574 1.00 10.00 H new ATOM 0 HA TYR A 115 -9.233 15.391 20.870 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -9.935 14.771 22.975 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -8.811 15.963 23.597 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -9.636 18.346 24.015 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -12.293 15.090 23.132 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -11.539 19.652 24.925 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -14.196 16.394 24.043 1.00 50.00 H new ATOM 0 HH TYR A 115 -13.707 19.614 25.536 1.00 50.00 H new ATOM 1683 N ASN A 116 -11.397 16.473 20.232 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.510 17.219 19.567 1.00 10.00 C ATOM 1685 C ASN A 116 -12.018 17.878 18.275 1.00 10.00 C ATOM 1686 O ASN A 116 -12.281 19.036 18.019 1.00 10.00 O ATOM 1687 CB ASN A 116 -12.961 18.284 20.571 1.00 10.00 C ATOM 1688 CG ASN A 116 -14.489 18.308 20.633 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -15.152 17.969 19.674 1.00 10.00 O ATOM 1690 ND2 ASN A 116 -15.081 18.698 21.729 1.00 10.00 N ATOM 0 H ASN A 116 -11.449 15.458 20.141 1.00 10.00 H new ATOM 0 HA ASN A 116 -13.329 16.553 19.295 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -12.549 18.068 21.557 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -12.583 19.262 20.275 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -16.100 18.718 21.779 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -14.525 18.983 22.535 1.00 10.00 H new ATOM 1697 N ALA A 117 -11.315 17.147 17.453 1.00 10.00 N ATOM 1698 CA ALA A 117 -10.819 17.733 16.173 1.00 10.00 C ATOM 1699 C ALA A 117 -11.995 17.980 15.227 1.00 10.00 C ATOM 1700 O ALA A 117 -11.864 18.640 14.214 1.00 10.00 O ATOM 1701 CB ALA A 117 -9.874 16.680 15.593 1.00 50.00 C ATOM 0 H ALA A 117 -11.063 16.171 17.611 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.317 18.689 16.319 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -9.467 17.038 14.647 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -9.059 16.497 16.293 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -10.422 15.753 15.424 1.00 50.00 H new ATOM 1707 N LYS A 118 -13.144 17.457 15.552 1.00 12.50 N ATOM 1708 CA LYS A 118 -14.333 17.661 14.675 1.00 12.50 C ATOM 1709 C LYS A 118 -14.633 19.155 14.534 1.00 12.50 C ATOM 1710 O LYS A 118 -15.327 19.578 13.631 1.00 12.50 O ATOM 1711 CB LYS A 118 -15.478 16.951 15.397 1.00 12.50 C ATOM 1712 CG LYS A 118 -15.838 17.727 16.667 1.00 12.50 C ATOM 1713 CD LYS A 118 -17.080 18.581 16.408 1.00 12.50 C ATOM 1714 CE LYS A 118 -18.335 17.747 16.672 1.00 50.00 C ATOM 1715 NZ LYS A 118 -19.059 18.475 17.751 1.00 50.00 N ATOM 0 H LYS A 118 -13.312 16.897 16.387 1.00 12.50 H new ATOM 0 HA LYS A 118 -14.179 17.271 13.669 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -16.347 16.880 14.742 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -15.186 15.932 15.651 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -16.024 17.035 17.488 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -15.004 18.361 16.967 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -17.072 19.460 17.053 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -17.079 18.941 15.379 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -18.947 17.660 15.775 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -18.078 16.734 16.982 1.00 50.00 H new ATOM 0 HZ1 LYS A 118 -19.933 17.964 17.988 1.00 50.00 H new ATOM 0 HZ2 LYS A 118 -18.454 18.537 18.595 1.00 50.00 H new ATOM 0 HZ3 LYS A 118 -19.296 19.433 17.424 1.00 50.00 H new ATOM 1726 N HIS A 119 -14.114 19.959 15.423 1.00 50.00 N ATOM 1727 CA HIS A 119 -14.369 21.425 15.344 1.00 50.00 C ATOM 1728 C HIS A 119 -13.662 22.023 14.123 1.00 50.00 C ATOM 1729 O HIS A 119 -14.123 22.981 13.536 1.00 50.00 O ATOM 1730 CB HIS A 119 -13.789 21.995 16.638 1.00 50.00 C ATOM 1731 CG HIS A 119 -14.717 21.682 17.780 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -16.041 22.090 17.787 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -14.528 21.003 18.959 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -16.594 21.656 18.935 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -15.714 20.988 19.686 1.00 50.00 N ATOM 0 H HIS A 119 -13.524 19.663 16.201 1.00 50.00 H new ATOM 0 HA HIS A 119 -15.429 21.656 15.236 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -12.804 21.568 16.827 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -13.657 23.073 16.547 1.00 50.00 H new ATOM 0 HD1 HIS A 119 -16.511 22.623 17.055 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -13.600 20.550 19.274 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -17.623 21.827 19.215 1.00 50.00 H new ATOM 1743 N LEU A 120 -12.547 21.465 13.736 1.00 12.50 N ATOM 1744 CA LEU A 120 -11.818 22.006 12.553 1.00 12.50 C ATOM 1745 C LEU A 120 -12.802 22.320 11.422 1.00 12.50 C ATOM 1746 O LEU A 120 -13.748 21.592 11.189 1.00 12.50 O ATOM 1747 CB LEU A 120 -10.859 20.892 12.134 1.00 12.50 C ATOM 1748 CG LEU A 120 -9.427 21.433 12.110 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -8.499 20.454 12.831 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -8.969 21.598 10.659 1.00 12.50 C ATOM 0 H LEU A 120 -12.110 20.661 14.186 1.00 12.50 H new ATOM 0 HA LEU A 120 -11.291 22.932 12.782 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -10.931 20.055 12.829 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -11.133 20.513 11.149 1.00 12.50 H new ATOM 0 HG LEU A 120 -9.395 22.399 12.613 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -7.480 20.839 12.814 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -8.825 20.337 13.864 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -8.530 19.487 12.329 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -7.949 21.983 10.641 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -9.001 20.632 10.155 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -9.630 22.297 10.146 1.00 12.50 H new