USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 773 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 76 HIS : no HD1:sc= -1.33 K(o=-7.8,f=-8.9) USER MOD Set 1.2: A 79 GLN : amide:sc= -6.52! C(o=-7.8!,f=-16!) USER MOD Set 2.1: A 1 SER OG : rot -64:sc= 0.541 USER MOD Set 2.2: A 2 SER OG : rot 21:sc= 1.26 USER MOD Single : A 0 GLY N :NH3+ 141:sc= 0.048 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0276 USER MOD Single : A 7 THR OG1 : rot -170:sc= -0.624 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -100:sc= 0.353 USER MOD Single : A 15 HIS : no HE2:sc= -6.13! K(o=-6.1!,f=-3) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc=-0.00569 X(o=-0.0057,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 149:sc= -0.483 (180deg=-1.94!) USER MOD Single : A 37 THR OG1 : rot 87:sc= 0.325 USER MOD Single : A 39 CYS SG : rot 161:sc= -1.07 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0326 USER MOD Single : A 45 THR OG1 : rot -174:sc= -3.1! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -148:sc= -0.0118 (180deg=-0.638) USER MOD Single : A 70 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.3) USER MOD Single : A 75 SER OG : rot -98:sc= -0.39! USER MOD Single : A 80 GLN : amide:sc= -2.62 K(o=-2.6,f=-0.87) USER MOD Single : A 82 TYR OH : rot 94:sc= -0.665 USER MOD Single : A 84 THR OG1 : rot 116:sc= 1.04 USER MOD Single : A 87 GLN : amide:sc= -0.0942 X(o=-0.094,f=-0.48) USER MOD Single : A 91 GLN : amide:sc= -0.232 K(o=-0.23,f=-2.1!) USER MOD Single : A 92 ASN : amide:sc= 0.426 X(o=0.43,f=-0.062) USER MOD Single : A 93 SER OG : rot 180:sc= 0.0623 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 52:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -4.790 -11.577 -10.749 1.00 0.00 N ATOM 2 CA GLY A 0 -5.148 -11.456 -12.152 1.00 0.00 C ATOM 3 C GLY A 0 -6.315 -12.382 -12.501 1.00 0.00 C ATOM 4 O GLY A 0 -6.470 -13.445 -11.902 1.00 0.00 O ATOM 0 H1 GLY A 0 -3.755 -11.537 -10.650 1.00 0.00 H new ATOM 0 H2 GLY A 0 -5.219 -10.796 -10.213 1.00 0.00 H new ATOM 0 H3 GLY A 0 -5.139 -12.484 -10.379 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -5.419 -10.424 -12.374 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -4.286 -11.700 -12.773 1.00 0.00 H new ATOM 8 N SER A 1 -7.107 -11.945 -13.470 1.00 0.00 N ATOM 9 CA SER A 1 -8.255 -12.721 -13.906 1.00 0.00 C ATOM 10 C SER A 1 -8.824 -12.132 -15.198 1.00 0.00 C ATOM 11 O SER A 1 -9.768 -11.345 -15.162 1.00 0.00 O ATOM 12 CB SER A 1 -9.333 -12.766 -12.822 1.00 0.00 C ATOM 13 OG SER A 1 -10.618 -13.069 -13.359 1.00 0.00 O ATOM 0 H SER A 1 -6.976 -11.063 -13.965 1.00 0.00 H new ATOM 0 HA SER A 1 -7.926 -13.743 -14.095 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.066 -13.515 -12.076 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.372 -11.805 -12.309 1.00 0.00 H new ATOM 0 HG SER A 1 -10.899 -12.349 -13.962 1.00 0.00 H new ATOM 19 N SER A 2 -8.227 -12.537 -16.309 1.00 0.00 N ATOM 20 CA SER A 2 -8.663 -12.059 -17.610 1.00 0.00 C ATOM 21 C SER A 2 -8.803 -10.535 -17.588 1.00 0.00 C ATOM 22 O SER A 2 -9.907 -10.012 -17.453 1.00 0.00 O ATOM 23 CB SER A 2 -9.987 -12.707 -18.020 1.00 0.00 C ATOM 24 OG SER A 2 -11.046 -12.368 -17.128 1.00 0.00 O ATOM 0 H SER A 2 -7.445 -13.191 -16.335 1.00 0.00 H new ATOM 0 HA SER A 2 -7.909 -12.338 -18.346 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.248 -12.390 -19.030 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.868 -13.790 -18.046 1.00 0.00 H new ATOM 0 HG SER A 2 -10.811 -11.554 -16.635 1.00 0.00 H new ATOM 30 N GLY A 3 -7.667 -9.867 -17.723 1.00 0.00 N ATOM 31 CA GLY A 3 -7.648 -8.414 -17.721 1.00 0.00 C ATOM 32 C GLY A 3 -8.141 -7.862 -16.381 1.00 0.00 C ATOM 33 O GLY A 3 -8.699 -8.599 -15.570 1.00 0.00 O ATOM 0 H GLY A 3 -6.753 -10.305 -17.835 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -6.636 -8.060 -17.914 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -8.277 -8.037 -18.527 1.00 0.00 H new ATOM 37 N SER A 4 -7.915 -6.570 -16.191 1.00 0.00 N ATOM 38 CA SER A 4 -8.328 -5.911 -14.964 1.00 0.00 C ATOM 39 C SER A 4 -8.166 -4.396 -15.104 1.00 0.00 C ATOM 40 O SER A 4 -7.048 -3.883 -15.076 1.00 0.00 O ATOM 41 CB SER A 4 -7.526 -6.423 -13.766 1.00 0.00 C ATOM 42 OG SER A 4 -8.208 -6.206 -12.534 1.00 0.00 O ATOM 0 H SER A 4 -7.451 -5.962 -16.866 1.00 0.00 H new ATOM 0 HA SER A 4 -9.378 -6.143 -14.788 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.331 -7.488 -13.889 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.558 -5.923 -13.737 1.00 0.00 H new ATOM 0 HG SER A 4 -7.664 -6.548 -11.794 1.00 0.00 H new ATOM 48 N SER A 5 -9.297 -3.723 -15.250 1.00 0.00 N ATOM 49 CA SER A 5 -9.294 -2.277 -15.394 1.00 0.00 C ATOM 50 C SER A 5 -9.148 -1.615 -14.022 1.00 0.00 C ATOM 51 O SER A 5 -8.803 -0.438 -13.931 1.00 0.00 O ATOM 52 CB SER A 5 -10.569 -1.789 -16.085 1.00 0.00 C ATOM 53 OG SER A 5 -11.722 -2.499 -15.640 1.00 0.00 O ATOM 0 H SER A 5 -10.222 -4.152 -15.272 1.00 0.00 H new ATOM 0 HA SER A 5 -8.445 -1.998 -16.018 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.702 -0.725 -15.892 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.465 -1.906 -17.164 1.00 0.00 H new ATOM 0 HG SER A 5 -12.515 -2.157 -16.103 1.00 0.00 H new ATOM 59 N GLY A 6 -9.417 -2.400 -12.990 1.00 0.00 N ATOM 60 CA GLY A 6 -9.320 -1.905 -11.627 1.00 0.00 C ATOM 61 C GLY A 6 -7.858 -1.725 -11.212 1.00 0.00 C ATOM 62 O GLY A 6 -6.973 -2.400 -11.735 1.00 0.00 O ATOM 0 H GLY A 6 -9.702 -3.376 -13.070 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -9.845 -0.954 -11.544 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -9.812 -2.601 -10.948 1.00 0.00 H new ATOM 66 N THR A 7 -7.651 -0.811 -10.276 1.00 0.00 N ATOM 67 CA THR A 7 -6.311 -0.533 -9.785 1.00 0.00 C ATOM 68 C THR A 7 -6.285 -0.576 -8.256 1.00 0.00 C ATOM 69 O THR A 7 -7.313 -0.390 -7.608 1.00 0.00 O ATOM 70 CB THR A 7 -5.865 0.811 -10.363 1.00 0.00 C ATOM 71 OG1 THR A 7 -7.003 1.654 -10.202 1.00 0.00 O ATOM 72 CG2 THR A 7 -5.654 0.756 -11.878 1.00 0.00 C ATOM 0 H THR A 7 -8.388 -0.253 -9.844 1.00 0.00 H new ATOM 0 HA THR A 7 -5.603 -1.294 -10.113 1.00 0.00 H new ATOM 0 HB THR A 7 -4.940 1.125 -9.879 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.860 2.493 -10.689 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.338 1.735 -12.237 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.886 0.019 -12.112 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.587 0.474 -12.365 1.00 0.00 H new ATOM 80 N PRO A 8 -5.065 -0.829 -7.710 1.00 0.00 N ATOM 81 CA PRO A 8 -4.891 -0.898 -6.269 1.00 0.00 C ATOM 82 C PRO A 8 -4.919 0.499 -5.645 1.00 0.00 C ATOM 83 O PRO A 8 -5.641 0.736 -4.677 1.00 0.00 O ATOM 84 CB PRO A 8 -3.564 -1.611 -6.067 1.00 0.00 C ATOM 85 CG PRO A 8 -2.826 -1.501 -7.391 1.00 0.00 C ATOM 86 CD PRO A 8 -3.825 -1.054 -8.446 1.00 0.00 C ATOM 0 HA PRO A 8 -5.698 -1.438 -5.774 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.992 -1.151 -5.262 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.719 -2.654 -5.792 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.007 -0.786 -7.313 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.386 -2.460 -7.664 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.492 -0.145 -8.947 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.954 -1.814 -9.216 1.00 0.00 H new ATOM 94 N LEU A 9 -4.125 1.387 -6.225 1.00 0.00 N ATOM 95 CA LEU A 9 -4.051 2.754 -5.738 1.00 0.00 C ATOM 96 C LEU A 9 -5.459 3.350 -5.686 1.00 0.00 C ATOM 97 O LEU A 9 -5.844 3.955 -4.686 1.00 0.00 O ATOM 98 CB LEU A 9 -3.068 3.570 -6.580 1.00 0.00 C ATOM 99 CG LEU A 9 -1.997 4.339 -5.805 1.00 0.00 C ATOM 100 CD1 LEU A 9 -1.143 5.191 -6.747 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.623 5.175 -4.686 1.00 0.00 C ATOM 0 H LEU A 9 -3.528 1.187 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.658 2.775 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.570 2.895 -7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.637 4.282 -7.178 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.332 3.615 -5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.390 5.727 -6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.651 4.546 -7.476 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.779 5.907 -7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.840 5.712 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.325 5.890 -5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.151 4.519 -3.994 1.00 0.00 H new ATOM 113 N SER A 10 -6.189 3.158 -6.775 1.00 0.00 N ATOM 114 CA SER A 10 -7.546 3.669 -6.866 1.00 0.00 C ATOM 115 C SER A 10 -8.464 2.887 -5.925 1.00 0.00 C ATOM 116 O SER A 10 -9.388 3.451 -5.341 1.00 0.00 O ATOM 117 CB SER A 10 -8.068 3.593 -8.302 1.00 0.00 C ATOM 118 OG SER A 10 -9.124 4.520 -8.536 1.00 0.00 O ATOM 0 H SER A 10 -5.866 2.656 -7.602 1.00 0.00 H new ATOM 0 HA SER A 10 -7.538 4.717 -6.566 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.251 3.792 -8.996 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.421 2.582 -8.506 1.00 0.00 H new ATOM 0 HG SER A 10 -9.429 4.441 -9.464 1.00 0.00 H new ATOM 124 N LEU A 11 -8.178 1.598 -5.807 1.00 0.00 N ATOM 125 CA LEU A 11 -8.966 0.732 -4.947 1.00 0.00 C ATOM 126 C LEU A 11 -8.804 1.180 -3.493 1.00 0.00 C ATOM 127 O LEU A 11 -9.780 1.243 -2.746 1.00 0.00 O ATOM 128 CB LEU A 11 -8.600 -0.734 -5.183 1.00 0.00 C ATOM 129 CG LEU A 11 -9.322 -1.428 -6.340 1.00 0.00 C ATOM 130 CD1 LEU A 11 -8.491 -2.590 -6.888 1.00 0.00 C ATOM 131 CD2 LEU A 11 -10.725 -1.873 -5.923 1.00 0.00 C ATOM 0 H LEU A 11 -7.411 1.133 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.025 0.815 -5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.527 -0.796 -5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.803 -1.290 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.440 -0.708 -7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.027 -3.065 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.534 -2.214 -7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.319 -3.319 -6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.216 -2.363 -6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.653 -2.570 -5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.307 -1.003 -5.620 1.00 0.00 H new ATOM 143 N THR A 12 -7.564 1.480 -3.134 1.00 0.00 N ATOM 144 CA THR A 12 -7.261 1.920 -1.783 1.00 0.00 C ATOM 145 C THR A 12 -7.860 3.304 -1.526 1.00 0.00 C ATOM 146 O THR A 12 -8.574 3.503 -0.544 1.00 0.00 O ATOM 147 CB THR A 12 -5.743 1.871 -1.598 1.00 0.00 C ATOM 148 OG1 THR A 12 -5.227 2.314 -2.850 1.00 0.00 O ATOM 149 CG2 THR A 12 -5.216 0.441 -1.463 1.00 0.00 C ATOM 0 H THR A 12 -6.757 1.427 -3.756 1.00 0.00 H new ATOM 0 HA THR A 12 -7.714 1.261 -1.042 1.00 0.00 H new ATOM 0 HB THR A 12 -5.466 2.445 -0.714 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.948 1.539 -3.382 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.134 0.463 -1.334 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.675 -0.036 -0.597 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.463 -0.124 -2.362 1.00 0.00 H new ATOM 157 N LEU A 13 -7.548 4.225 -2.426 1.00 0.00 N ATOM 158 CA LEU A 13 -8.046 5.585 -2.309 1.00 0.00 C ATOM 159 C LEU A 13 -9.573 5.558 -2.220 1.00 0.00 C ATOM 160 O LEU A 13 -10.160 6.215 -1.362 1.00 0.00 O ATOM 161 CB LEU A 13 -7.511 6.451 -3.452 1.00 0.00 C ATOM 162 CG LEU A 13 -5.988 6.542 -3.569 1.00 0.00 C ATOM 163 CD1 LEU A 13 -5.556 6.642 -5.033 1.00 0.00 C ATOM 164 CD2 LEU A 13 -5.442 7.699 -2.729 1.00 0.00 C ATOM 0 H LEU A 13 -6.956 4.056 -3.240 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.681 6.047 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.905 6.062 -4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.907 7.459 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.559 5.623 -3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.469 6.705 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.896 5.759 -5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.995 7.533 -5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.357 7.742 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.876 8.637 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.703 7.544 -1.682 1.00 0.00 H new ATOM 176 N ASP A 14 -10.173 4.791 -3.119 1.00 0.00 N ATOM 177 CA ASP A 14 -11.620 4.670 -3.153 1.00 0.00 C ATOM 178 C ASP A 14 -12.126 4.264 -1.767 1.00 0.00 C ATOM 179 O ASP A 14 -13.289 4.491 -1.436 1.00 0.00 O ATOM 180 CB ASP A 14 -12.060 3.596 -4.149 1.00 0.00 C ATOM 181 CG ASP A 14 -12.240 4.083 -5.589 1.00 0.00 C ATOM 182 OD1 ASP A 14 -12.023 5.295 -5.808 1.00 0.00 O ATOM 183 OD2 ASP A 14 -12.590 3.234 -6.436 1.00 0.00 O ATOM 0 H ASP A 14 -9.683 4.247 -3.829 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.032 5.633 -3.456 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.323 2.793 -4.143 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.002 3.168 -3.806 1.00 0.00 H new ATOM 188 N HIS A 15 -11.228 3.672 -0.994 1.00 0.00 N ATOM 189 CA HIS A 15 -11.569 3.233 0.348 1.00 0.00 C ATOM 190 C HIS A 15 -10.542 3.777 1.343 1.00 0.00 C ATOM 191 O HIS A 15 -10.110 3.064 2.248 1.00 0.00 O ATOM 192 CB HIS A 15 -11.700 1.709 0.405 1.00 0.00 C ATOM 193 CG HIS A 15 -12.971 1.179 -0.213 1.00 0.00 C ATOM 194 ND1 HIS A 15 -14.227 1.640 0.143 1.00 0.00 N ATOM 195 CD2 HIS A 15 -13.168 0.223 -1.166 1.00 0.00 C ATOM 196 CE1 HIS A 15 -15.131 0.984 -0.569 1.00 0.00 C ATOM 197 NE2 HIS A 15 -14.473 0.106 -1.380 1.00 0.00 N ATOM 0 H HIS A 15 -10.264 3.486 -1.272 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.543 3.634 0.628 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.846 1.262 -0.104 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.653 1.389 1.446 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -14.423 2.362 0.836 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.393 -0.343 -1.662 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -16.201 1.120 -0.517 1.00 0.00 H new ATOM 205 N TRP A 16 -10.179 5.035 1.141 1.00 0.00 N ATOM 206 CA TRP A 16 -9.210 5.683 2.009 1.00 0.00 C ATOM 207 C TRP A 16 -9.633 5.435 3.458 1.00 0.00 C ATOM 208 O TRP A 16 -8.787 5.269 4.335 1.00 0.00 O ATOM 209 CB TRP A 16 -9.079 7.170 1.670 1.00 0.00 C ATOM 210 CG TRP A 16 -8.052 7.914 2.525 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.236 9.019 3.261 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.664 7.561 2.703 1.00 0.00 C ATOM 213 NE1 TRP A 16 -7.073 9.402 3.898 1.00 0.00 N ATOM 214 CE2 TRP A 16 -6.087 8.487 3.548 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.921 6.495 2.168 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.742 8.440 3.933 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.578 6.462 2.562 1.00 0.00 C ATOM 218 CH2 TRP A 16 -3.982 7.386 3.412 1.00 0.00 C ATOM 0 H TRP A 16 -10.538 5.623 0.389 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.216 5.262 1.860 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.804 7.270 0.620 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -10.052 7.647 1.791 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.176 9.544 3.345 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -6.958 10.208 4.512 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.352 5.759 1.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.314 9.177 4.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.962 5.662 2.178 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.937 7.291 3.669 1.00 0.00 H new ATOM 229 N SER A 17 -10.942 5.418 3.664 1.00 0.00 N ATOM 230 CA SER A 17 -11.487 5.193 4.992 1.00 0.00 C ATOM 231 C SER A 17 -10.915 3.902 5.581 1.00 0.00 C ATOM 232 O SER A 17 -10.504 3.873 6.740 1.00 0.00 O ATOM 233 CB SER A 17 -13.015 5.128 4.956 1.00 0.00 C ATOM 234 OG SER A 17 -13.612 6.351 5.379 1.00 0.00 O ATOM 0 H SER A 17 -11.641 5.556 2.934 1.00 0.00 H new ATOM 0 HA SER A 17 -11.200 6.032 5.626 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.344 4.895 3.943 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.358 4.316 5.597 1.00 0.00 H new ATOM 0 HG SER A 17 -14.588 6.269 5.340 1.00 0.00 H new ATOM 240 N GLU A 18 -10.906 2.866 4.756 1.00 0.00 N ATOM 241 CA GLU A 18 -10.391 1.575 5.180 1.00 0.00 C ATOM 242 C GLU A 18 -8.886 1.665 5.441 1.00 0.00 C ATOM 243 O GLU A 18 -8.397 1.170 6.456 1.00 0.00 O ATOM 244 CB GLU A 18 -10.705 0.492 4.146 1.00 0.00 C ATOM 245 CG GLU A 18 -9.913 -0.785 4.433 1.00 0.00 C ATOM 246 CD GLU A 18 -10.202 -1.305 5.843 1.00 0.00 C ATOM 247 OE1 GLU A 18 -11.379 -1.646 6.092 1.00 0.00 O ATOM 248 OE2 GLU A 18 -9.240 -1.349 6.640 1.00 0.00 O ATOM 0 H GLU A 18 -11.247 2.894 3.795 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.886 1.296 6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.773 0.272 4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.465 0.857 3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.171 -1.549 3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.846 -0.587 4.326 1.00 0.00 H new ATOM 255 N ILE A 19 -8.192 2.298 4.507 1.00 0.00 N ATOM 256 CA ILE A 19 -6.753 2.459 4.623 1.00 0.00 C ATOM 257 C ILE A 19 -6.434 3.270 5.880 1.00 0.00 C ATOM 258 O ILE A 19 -5.449 2.999 6.565 1.00 0.00 O ATOM 259 CB ILE A 19 -6.175 3.060 3.340 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.864 2.478 2.103 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.657 2.884 3.286 1.00 0.00 C ATOM 262 CD1 ILE A 19 -7.034 0.963 2.233 1.00 0.00 C ATOM 0 H ILE A 19 -8.600 2.706 3.666 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.270 1.489 4.738 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.374 4.132 3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.839 2.947 1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.277 2.707 1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.273 3.320 2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.202 3.384 4.141 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.413 1.822 3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.526 0.574 1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.056 0.495 2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.642 0.739 3.110 1.00 0.00 H new ATOM 274 N ARG A 20 -7.285 4.250 6.145 1.00 0.00 N ATOM 275 CA ARG A 20 -7.107 5.103 7.307 1.00 0.00 C ATOM 276 C ARG A 20 -7.420 4.327 8.588 1.00 0.00 C ATOM 277 O ARG A 20 -6.838 4.594 9.638 1.00 0.00 O ATOM 278 CB ARG A 20 -8.011 6.335 7.231 1.00 0.00 C ATOM 279 CG ARG A 20 -7.499 7.327 6.185 1.00 0.00 C ATOM 280 CD ARG A 20 -7.814 8.767 6.596 1.00 0.00 C ATOM 281 NE ARG A 20 -9.068 9.215 5.951 1.00 0.00 N ATOM 282 CZ ARG A 20 -9.702 10.356 6.253 1.00 0.00 C ATOM 283 NH1 ARG A 20 -9.204 11.171 7.193 1.00 0.00 N ATOM 284 NH2 ARG A 20 -10.835 10.682 5.616 1.00 0.00 N ATOM 0 H ARG A 20 -8.101 4.472 5.574 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.067 5.431 7.321 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.027 6.030 6.981 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.054 6.820 8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.423 7.207 6.061 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.957 7.112 5.220 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.910 8.832 7.680 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.993 9.424 6.309 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.475 8.618 5.231 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.342 10.923 7.679 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.687 12.040 7.423 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.215 10.061 4.901 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.318 11.551 5.846 1.00 0.00 H new ATOM 298 N SER A 21 -8.339 3.382 8.459 1.00 0.00 N ATOM 299 CA SER A 21 -8.737 2.566 9.594 1.00 0.00 C ATOM 300 C SER A 21 -7.572 1.678 10.034 1.00 0.00 C ATOM 301 O SER A 21 -7.298 1.552 11.226 1.00 0.00 O ATOM 302 CB SER A 21 -9.958 1.709 9.254 1.00 0.00 C ATOM 303 OG SER A 21 -11.033 1.925 10.165 1.00 0.00 O ATOM 0 H SER A 21 -8.820 3.163 7.586 1.00 0.00 H new ATOM 0 HA SER A 21 -9.009 3.230 10.414 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.290 1.937 8.241 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.677 0.656 9.268 1.00 0.00 H new ATOM 0 HG SER A 21 -11.794 1.361 9.913 1.00 0.00 H new ATOM 309 N ARG A 22 -6.916 1.084 9.047 1.00 0.00 N ATOM 310 CA ARG A 22 -5.786 0.212 9.317 1.00 0.00 C ATOM 311 C ARG A 22 -4.683 0.982 10.047 1.00 0.00 C ATOM 312 O ARG A 22 -3.965 0.415 10.869 1.00 0.00 O ATOM 313 CB ARG A 22 -5.219 -0.372 8.022 1.00 0.00 C ATOM 314 CG ARG A 22 -6.334 -0.942 7.143 1.00 0.00 C ATOM 315 CD ARG A 22 -6.204 -2.460 7.006 1.00 0.00 C ATOM 316 NE ARG A 22 -7.164 -2.962 5.998 1.00 0.00 N ATOM 317 CZ ARG A 22 -7.552 -4.241 5.901 1.00 0.00 C ATOM 318 NH1 ARG A 22 -7.065 -5.155 6.752 1.00 0.00 N ATOM 319 NH2 ARG A 22 -8.427 -4.606 4.955 1.00 0.00 N ATOM 0 H ARG A 22 -7.146 1.190 8.059 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.141 -0.605 9.946 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.680 0.402 7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.499 -1.156 8.257 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.304 -0.694 7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.296 -0.480 6.157 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.187 -2.721 6.713 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.391 -2.937 7.968 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.555 -2.292 5.335 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.399 -4.877 7.473 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.360 -6.129 6.678 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.798 -3.910 4.308 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.722 -5.580 4.882 1.00 0.00 H new ATOM 333 N ALA A 23 -4.584 2.262 9.720 1.00 0.00 N ATOM 334 CA ALA A 23 -3.581 3.115 10.334 1.00 0.00 C ATOM 335 C ALA A 23 -3.863 3.229 11.833 1.00 0.00 C ATOM 336 O ALA A 23 -2.942 3.180 12.647 1.00 0.00 O ATOM 337 CB ALA A 23 -3.573 4.477 9.637 1.00 0.00 C ATOM 0 H ALA A 23 -5.182 2.729 9.038 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.587 2.683 10.218 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.821 5.117 10.098 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.339 4.344 8.581 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.554 4.942 9.735 1.00 0.00 H new ATOM 343 N HIS A 24 -5.140 3.379 12.153 1.00 0.00 N ATOM 344 CA HIS A 24 -5.555 3.501 13.540 1.00 0.00 C ATOM 345 C HIS A 24 -5.269 2.191 14.278 1.00 0.00 C ATOM 346 O HIS A 24 -4.820 2.206 15.423 1.00 0.00 O ATOM 347 CB HIS A 24 -7.023 3.924 13.633 1.00 0.00 C ATOM 348 CG HIS A 24 -7.315 4.882 14.763 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.183 4.578 15.797 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.845 6.138 15.011 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.227 5.612 16.624 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.397 6.578 16.135 1.00 0.00 N ATOM 0 H HIS A 24 -5.901 3.419 11.475 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.979 4.287 14.028 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.317 4.388 12.692 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.640 3.034 13.756 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.143 6.682 14.397 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.816 5.679 17.527 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.228 7.488 16.563 1.00 0.00 H new ATOM 360 N ASN A 25 -5.538 1.091 13.591 1.00 0.00 N ATOM 361 CA ASN A 25 -5.315 -0.224 14.167 1.00 0.00 C ATOM 362 C ASN A 25 -3.810 -0.487 14.258 1.00 0.00 C ATOM 363 O ASN A 25 -3.346 -1.140 15.192 1.00 0.00 O ATOM 364 CB ASN A 25 -5.934 -1.319 13.296 1.00 0.00 C ATOM 365 CG ASN A 25 -6.677 -2.346 14.153 1.00 0.00 C ATOM 366 OD1 ASN A 25 -6.103 -3.286 14.678 1.00 0.00 O ATOM 367 ND2 ASN A 25 -7.982 -2.116 14.264 1.00 0.00 N ATOM 0 H ASN A 25 -5.908 1.083 12.641 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.778 -0.243 15.154 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.622 -0.872 12.579 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.153 -1.817 12.721 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.566 -2.746 14.815 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.399 -1.310 13.798 1.00 0.00 H new ATOM 374 N LEU A 26 -3.090 0.035 13.276 1.00 0.00 N ATOM 375 CA LEU A 26 -1.648 -0.136 13.234 1.00 0.00 C ATOM 376 C LEU A 26 -0.988 0.912 14.134 1.00 0.00 C ATOM 377 O LEU A 26 0.211 0.842 14.398 1.00 0.00 O ATOM 378 CB LEU A 26 -1.147 -0.108 11.789 1.00 0.00 C ATOM 379 CG LEU A 26 -1.571 -1.286 10.910 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.173 -1.053 9.451 1.00 0.00 C ATOM 381 CD2 LEU A 26 -1.014 -2.604 11.452 1.00 0.00 C ATOM 0 H LEU A 26 -3.478 0.576 12.504 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.369 -1.114 13.625 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.497 0.813 11.322 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.058 -0.065 11.804 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.658 -1.360 10.940 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.486 -1.905 8.848 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.658 -0.149 9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.091 -0.938 9.383 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.331 -3.425 10.808 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.075 -2.558 11.472 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.389 -2.770 12.462 1.00 0.00 H new ATOM 393 N SER A 27 -1.801 1.859 14.579 1.00 0.00 N ATOM 394 CA SER A 27 -1.312 2.920 15.443 1.00 0.00 C ATOM 395 C SER A 27 -0.374 3.841 14.660 1.00 0.00 C ATOM 396 O SER A 27 0.663 4.259 15.174 1.00 0.00 O ATOM 397 CB SER A 27 -0.594 2.347 16.666 1.00 0.00 C ATOM 398 OG SER A 27 -1.315 1.264 17.249 1.00 0.00 O ATOM 0 H SER A 27 -2.795 1.914 14.357 1.00 0.00 H new ATOM 0 HA SER A 27 -2.167 3.497 15.795 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.400 2.007 16.376 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.458 3.134 17.408 1.00 0.00 H new ATOM 0 HG SER A 27 -0.823 0.924 18.026 1.00 0.00 H new ATOM 404 N VAL A 28 -0.771 4.132 13.430 1.00 0.00 N ATOM 405 CA VAL A 28 0.021 4.996 12.572 1.00 0.00 C ATOM 406 C VAL A 28 -0.910 5.933 11.800 1.00 0.00 C ATOM 407 O VAL A 28 -2.059 5.588 11.529 1.00 0.00 O ATOM 408 CB VAL A 28 0.911 4.151 11.658 1.00 0.00 C ATOM 409 CG1 VAL A 28 2.035 3.483 12.452 1.00 0.00 C ATOM 410 CG2 VAL A 28 0.086 3.113 10.896 1.00 0.00 C ATOM 0 H VAL A 28 -1.632 3.784 13.007 1.00 0.00 H new ATOM 0 HA VAL A 28 0.688 5.619 13.168 1.00 0.00 H new ATOM 0 HB VAL A 28 1.368 4.817 10.927 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.653 2.889 11.779 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.649 4.248 12.927 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.605 2.836 13.217 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.743 2.526 10.254 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.413 2.453 11.605 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.661 3.619 10.285 1.00 0.00 H new ATOM 420 N GLU A 29 -0.379 7.101 11.468 1.00 0.00 N ATOM 421 CA GLU A 29 -1.148 8.091 10.733 1.00 0.00 C ATOM 422 C GLU A 29 -0.581 8.263 9.323 1.00 0.00 C ATOM 423 O GLU A 29 0.634 8.242 9.131 1.00 0.00 O ATOM 424 CB GLU A 29 -1.177 9.427 11.479 1.00 0.00 C ATOM 425 CG GLU A 29 -2.520 9.633 12.182 1.00 0.00 C ATOM 426 CD GLU A 29 -3.534 10.292 11.245 1.00 0.00 C ATOM 427 OE1 GLU A 29 -3.090 11.123 10.423 1.00 0.00 O ATOM 428 OE2 GLU A 29 -4.730 9.951 11.373 1.00 0.00 O ATOM 0 H GLU A 29 0.574 7.384 11.695 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.175 7.736 10.650 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.371 9.456 12.212 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.000 10.243 10.778 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.906 8.673 12.524 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.380 10.254 13.067 1.00 0.00 H new ATOM 435 N ILE A 30 -1.488 8.428 8.371 1.00 0.00 N ATOM 436 CA ILE A 30 -1.094 8.603 6.984 1.00 0.00 C ATOM 437 C ILE A 30 -2.031 9.611 6.315 1.00 0.00 C ATOM 438 O ILE A 30 -3.060 9.977 6.881 1.00 0.00 O ATOM 439 CB ILE A 30 -1.032 7.252 6.269 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.407 6.580 6.247 1.00 0.00 C ATOM 441 CG2 ILE A 30 0.036 6.351 6.891 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.321 5.175 5.648 1.00 0.00 C ATOM 0 H ILE A 30 -2.495 8.444 8.534 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.087 9.015 6.924 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.742 7.427 5.233 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.804 6.523 7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.102 7.185 5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.059 5.397 6.364 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.010 6.833 6.811 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.199 6.180 7.941 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.311 4.720 5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.946 5.237 4.626 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.644 4.565 6.246 1.00 0.00 H new ATOM 454 N LYS A 31 -1.643 10.029 5.119 1.00 0.00 N ATOM 455 CA LYS A 31 -2.436 10.987 4.367 1.00 0.00 C ATOM 456 C LYS A 31 -2.785 10.392 3.001 1.00 0.00 C ATOM 457 O LYS A 31 -2.207 9.387 2.592 1.00 0.00 O ATOM 458 CB LYS A 31 -1.714 12.333 4.285 1.00 0.00 C ATOM 459 CG LYS A 31 -2.152 13.260 5.421 1.00 0.00 C ATOM 460 CD LYS A 31 -2.717 14.572 4.871 1.00 0.00 C ATOM 461 CE LYS A 31 -1.696 15.704 4.996 1.00 0.00 C ATOM 462 NZ LYS A 31 -2.307 16.997 4.618 1.00 0.00 N ATOM 0 H LYS A 31 -0.790 9.722 4.652 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.378 11.187 4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.637 12.175 4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.924 12.804 3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.906 12.763 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.303 13.470 6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.995 14.442 3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.626 14.836 5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.325 15.756 6.020 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.838 15.500 4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.600 17.755 4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.639 16.949 3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.112 17.197 5.246 1.00 0.00 H new ATOM 476 N LYS A 32 -3.730 11.039 2.334 1.00 0.00 N ATOM 477 CA LYS A 32 -4.163 10.587 1.023 1.00 0.00 C ATOM 478 C LYS A 32 -3.310 11.263 -0.052 1.00 0.00 C ATOM 479 O LYS A 32 -3.194 10.756 -1.167 1.00 0.00 O ATOM 480 CB LYS A 32 -5.666 10.813 0.848 1.00 0.00 C ATOM 481 CG LYS A 32 -6.138 10.326 -0.524 1.00 0.00 C ATOM 482 CD LYS A 32 -7.514 9.666 -0.428 1.00 0.00 C ATOM 483 CE LYS A 32 -8.554 10.445 -1.235 1.00 0.00 C ATOM 484 NZ LYS A 32 -8.020 10.788 -2.573 1.00 0.00 N ATOM 0 H LYS A 32 -4.208 11.872 2.677 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.012 9.512 0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.210 10.286 1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.893 11.873 0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.181 11.166 -1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.417 9.616 -0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.456 8.642 -0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.824 9.613 0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.461 9.850 -1.340 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.829 11.355 -0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.800 10.819 -3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.556 11.718 -2.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.329 10.068 -2.866 1.00 0.00 H new ATOM 498 N GLY A 33 -2.735 12.397 0.320 1.00 0.00 N ATOM 499 CA GLY A 33 -1.897 13.148 -0.599 1.00 0.00 C ATOM 500 C GLY A 33 -0.576 12.419 -0.857 1.00 0.00 C ATOM 501 O GLY A 33 -0.185 12.224 -2.006 1.00 0.00 O ATOM 0 H GLY A 33 -2.833 12.814 1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.425 13.295 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.696 14.137 -0.188 1.00 0.00 H new ATOM 505 N PRO A 34 0.091 12.026 0.262 1.00 0.00 N ATOM 506 CA PRO A 34 1.359 11.323 0.168 1.00 0.00 C ATOM 507 C PRO A 34 1.149 9.869 -0.260 1.00 0.00 C ATOM 508 O PRO A 34 1.942 9.323 -1.025 1.00 0.00 O ATOM 509 CB PRO A 34 1.983 11.452 1.548 1.00 0.00 C ATOM 510 CG PRO A 34 0.845 11.816 2.488 1.00 0.00 C ATOM 511 CD PRO A 34 -0.343 12.240 1.639 1.00 0.00 C ATOM 0 HA PRO A 34 2.017 11.742 -0.593 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.457 10.518 1.851 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.757 12.219 1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.581 10.965 3.116 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.145 12.624 3.156 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.228 11.648 1.872 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.603 13.284 1.815 1.00 0.00 H new ATOM 519 N TRP A 35 0.078 9.283 0.254 1.00 0.00 N ATOM 520 CA TRP A 35 -0.246 7.903 -0.065 1.00 0.00 C ATOM 521 C TRP A 35 -0.186 7.743 -1.586 1.00 0.00 C ATOM 522 O TRP A 35 0.278 6.720 -2.088 1.00 0.00 O ATOM 523 CB TRP A 35 -1.601 7.507 0.524 1.00 0.00 C ATOM 524 CG TRP A 35 -2.088 6.123 0.091 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.674 5.779 -1.064 1.00 0.00 C ATOM 526 CD2 TRP A 35 -2.007 4.903 0.859 1.00 0.00 C ATOM 527 NE1 TRP A 35 -2.975 4.432 -1.097 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.557 3.883 0.109 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.486 4.670 2.144 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.639 2.560 0.559 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.576 3.343 2.579 1.00 0.00 C ATOM 532 CH2 TRP A 35 -2.126 2.304 1.837 1.00 0.00 C ATOM 0 H TRP A 35 -0.577 9.739 0.889 1.00 0.00 H new ATOM 0 HA TRP A 35 0.477 7.223 0.386 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.534 7.533 1.612 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.343 8.250 0.232 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.884 6.469 -1.868 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.422 3.932 -1.865 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.051 5.453 2.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.074 1.779 -0.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.191 3.110 3.561 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.158 1.304 2.244 1.00 0.00 H new ATOM 543 N ARG A 36 -0.662 8.769 -2.276 1.00 0.00 N ATOM 544 CA ARG A 36 -0.669 8.754 -3.729 1.00 0.00 C ATOM 545 C ARG A 36 0.730 9.062 -4.269 1.00 0.00 C ATOM 546 O ARG A 36 1.230 8.357 -5.144 1.00 0.00 O ATOM 547 CB ARG A 36 -1.660 9.779 -4.285 1.00 0.00 C ATOM 548 CG ARG A 36 -1.692 9.736 -5.815 1.00 0.00 C ATOM 549 CD ARG A 36 -2.868 8.896 -6.315 1.00 0.00 C ATOM 550 NE ARG A 36 -3.967 9.780 -6.765 1.00 0.00 N ATOM 551 CZ ARG A 36 -3.998 10.392 -7.956 1.00 0.00 C ATOM 552 NH1 ARG A 36 -2.992 10.220 -8.825 1.00 0.00 N ATOM 553 NH2 ARG A 36 -5.035 11.176 -8.280 1.00 0.00 N ATOM 0 H ARG A 36 -1.045 9.616 -1.856 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.975 7.758 -4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.656 9.578 -3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.381 10.778 -3.951 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.770 10.749 -6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.757 9.319 -6.190 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.545 8.256 -7.136 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.221 8.240 -5.520 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.749 9.932 -6.128 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.202 9.623 -8.579 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.016 10.686 -9.732 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.801 11.307 -7.620 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.058 11.642 -9.187 1.00 0.00 H new ATOM 567 N THR A 37 1.321 10.116 -3.725 1.00 0.00 N ATOM 568 CA THR A 37 2.651 10.526 -4.141 1.00 0.00 C ATOM 569 C THR A 37 3.633 9.360 -4.009 1.00 0.00 C ATOM 570 O THR A 37 4.332 9.022 -4.964 1.00 0.00 O ATOM 571 CB THR A 37 3.048 11.751 -3.315 1.00 0.00 C ATOM 572 OG1 THR A 37 2.196 12.786 -3.798 1.00 0.00 O ATOM 573 CG2 THR A 37 4.458 12.246 -3.643 1.00 0.00 C ATOM 0 H THR A 37 0.903 10.698 -3.000 1.00 0.00 H new ATOM 0 HA THR A 37 2.668 10.807 -5.194 1.00 0.00 H new ATOM 0 HB THR A 37 2.986 11.509 -2.254 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.349 12.769 -3.306 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.690 13.117 -3.029 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.179 11.455 -3.437 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.511 12.520 -4.697 1.00 0.00 H new ATOM 581 N PHE A 38 3.656 8.778 -2.819 1.00 0.00 N ATOM 582 CA PHE A 38 4.541 7.657 -2.551 1.00 0.00 C ATOM 583 C PHE A 38 4.288 6.511 -3.533 1.00 0.00 C ATOM 584 O PHE A 38 5.185 5.717 -3.810 1.00 0.00 O ATOM 585 CB PHE A 38 4.234 7.175 -1.132 1.00 0.00 C ATOM 586 CG PHE A 38 4.827 8.057 -0.032 1.00 0.00 C ATOM 587 CD1 PHE A 38 6.079 8.569 -0.172 1.00 0.00 C ATOM 588 CD2 PHE A 38 4.102 8.331 1.085 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.630 9.388 0.848 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.652 9.150 2.106 1.00 0.00 C ATOM 591 CZ PHE A 38 5.905 9.661 1.966 1.00 0.00 C ATOM 0 H PHE A 38 3.076 9.062 -2.029 1.00 0.00 H new ATOM 0 HA PHE A 38 5.580 7.969 -2.659 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.153 7.127 -1.002 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.614 6.160 -1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.654 8.352 -1.060 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.107 7.925 1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.624 9.794 0.736 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.076 9.367 2.993 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.324 10.284 2.743 1.00 0.00 H new ATOM 601 N CYS A 39 3.062 6.462 -4.032 1.00 0.00 N ATOM 602 CA CYS A 39 2.679 5.427 -4.977 1.00 0.00 C ATOM 603 C CYS A 39 2.541 6.066 -6.360 1.00 0.00 C ATOM 604 O CYS A 39 1.978 5.463 -7.273 1.00 0.00 O ATOM 605 CB CYS A 39 1.396 4.714 -4.547 1.00 0.00 C ATOM 606 SG CYS A 39 1.280 3.083 -5.368 1.00 0.00 S ATOM 0 H CYS A 39 2.320 7.123 -3.800 1.00 0.00 H new ATOM 0 HA CYS A 39 3.450 4.657 -5.009 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.386 4.587 -3.464 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.529 5.322 -4.804 1.00 0.00 H new ATOM 0 HG CYS A 39 0.444 2.329 -4.719 1.00 0.00 H new ATOM 612 N ALA A 40 3.065 7.278 -6.472 1.00 0.00 N ATOM 613 CA ALA A 40 3.007 8.005 -7.728 1.00 0.00 C ATOM 614 C ALA A 40 4.322 7.811 -8.486 1.00 0.00 C ATOM 615 O ALA A 40 4.320 7.399 -9.645 1.00 0.00 O ATOM 616 CB ALA A 40 2.705 9.480 -7.451 1.00 0.00 C ATOM 0 H ALA A 40 3.532 7.774 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 40 2.204 7.621 -8.357 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.661 10.026 -8.394 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.747 9.565 -6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.491 9.901 -6.824 1.00 0.00 H new ATOM 622 N SER A 41 5.413 8.118 -7.801 1.00 0.00 N ATOM 623 CA SER A 41 6.733 7.983 -8.394 1.00 0.00 C ATOM 624 C SER A 41 7.790 7.851 -7.296 1.00 0.00 C ATOM 625 O SER A 41 8.911 8.334 -7.448 1.00 0.00 O ATOM 626 CB SER A 41 7.054 9.173 -9.300 1.00 0.00 C ATOM 627 OG SER A 41 7.743 8.774 -10.482 1.00 0.00 O ATOM 0 H SER A 41 5.410 8.460 -6.840 1.00 0.00 H new ATOM 0 HA SER A 41 6.742 7.082 -9.007 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.129 9.680 -9.574 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.662 9.893 -8.752 1.00 0.00 H new ATOM 0 HG SER A 41 7.928 9.562 -11.034 1.00 0.00 H new ATOM 633 N GLU A 42 7.395 7.194 -6.215 1.00 0.00 N ATOM 634 CA GLU A 42 8.295 6.993 -5.092 1.00 0.00 C ATOM 635 C GLU A 42 8.572 5.501 -4.895 1.00 0.00 C ATOM 636 O GLU A 42 9.726 5.090 -4.779 1.00 0.00 O ATOM 637 CB GLU A 42 7.728 7.618 -3.816 1.00 0.00 C ATOM 638 CG GLU A 42 8.845 7.953 -2.827 1.00 0.00 C ATOM 639 CD GLU A 42 9.423 9.343 -3.102 1.00 0.00 C ATOM 640 OE1 GLU A 42 9.655 9.635 -4.295 1.00 0.00 O ATOM 641 OE2 GLU A 42 9.620 10.082 -2.113 1.00 0.00 O ATOM 0 H GLU A 42 6.464 6.794 -6.093 1.00 0.00 H new ATOM 0 HA GLU A 42 9.238 7.492 -5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.174 8.523 -4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.021 6.930 -3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.459 7.911 -1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.635 7.206 -2.899 1.00 0.00 H new ATOM 648 N TRP A 43 7.494 4.731 -4.863 1.00 0.00 N ATOM 649 CA TRP A 43 7.607 3.293 -4.682 1.00 0.00 C ATOM 650 C TRP A 43 8.078 2.686 -6.005 1.00 0.00 C ATOM 651 O TRP A 43 8.966 1.835 -6.020 1.00 0.00 O ATOM 652 CB TRP A 43 6.288 2.698 -4.187 1.00 0.00 C ATOM 653 CG TRP A 43 6.034 2.904 -2.692 1.00 0.00 C ATOM 654 CD1 TRP A 43 6.920 3.234 -1.743 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.768 2.781 -2.010 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.321 3.332 -0.503 1.00 0.00 N ATOM 657 CE2 TRP A 43 4.971 3.047 -0.671 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.494 2.455 -2.507 1.00 0.00 C ATOM 659 CZ2 TRP A 43 3.945 3.015 0.281 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.480 2.426 -1.543 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.667 2.692 -0.192 1.00 0.00 C ATOM 0 H TRP A 43 6.539 5.075 -4.959 1.00 0.00 H new ATOM 0 HA TRP A 43 8.340 3.057 -3.910 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.467 3.143 -4.749 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.280 1.630 -4.403 1.00 0.00 H new ATOM 0 HD1 TRP A 43 7.971 3.402 -1.925 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.784 3.570 0.374 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.312 2.244 -3.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.129 3.228 1.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.481 2.179 -1.872 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.831 2.650 0.490 1.00 0.00 H new ATOM 672 N PRO A 44 7.445 3.158 -7.112 1.00 0.00 N ATOM 673 CA PRO A 44 7.790 2.671 -8.437 1.00 0.00 C ATOM 674 C PRO A 44 9.123 3.256 -8.906 1.00 0.00 C ATOM 675 O PRO A 44 9.567 2.983 -10.021 1.00 0.00 O ATOM 676 CB PRO A 44 6.620 3.073 -9.321 1.00 0.00 C ATOM 677 CG PRO A 44 5.886 4.169 -8.566 1.00 0.00 C ATOM 678 CD PRO A 44 6.389 4.166 -7.132 1.00 0.00 C ATOM 0 HA PRO A 44 7.939 1.592 -8.463 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.967 3.431 -10.290 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.964 2.223 -9.512 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.065 5.138 -9.031 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.810 3.996 -8.593 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.771 5.145 -6.844 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.591 3.917 -6.433 1.00 0.00 H new ATOM 686 N THR A 45 9.725 4.050 -8.033 1.00 0.00 N ATOM 687 CA THR A 45 10.999 4.676 -8.345 1.00 0.00 C ATOM 688 C THR A 45 12.089 4.166 -7.400 1.00 0.00 C ATOM 689 O THR A 45 13.114 4.821 -7.218 1.00 0.00 O ATOM 690 CB THR A 45 10.806 6.193 -8.288 1.00 0.00 C ATOM 691 OG1 THR A 45 10.213 6.420 -7.013 1.00 0.00 O ATOM 692 CG2 THR A 45 9.754 6.687 -9.282 1.00 0.00 C ATOM 0 H THR A 45 9.354 4.274 -7.110 1.00 0.00 H new ATOM 0 HA THR A 45 11.334 4.414 -9.349 1.00 0.00 H new ATOM 0 HB THR A 45 11.756 6.687 -8.490 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.961 7.364 -6.933 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.656 7.770 -9.200 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.060 6.426 -10.295 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.795 6.218 -9.060 1.00 0.00 H new ATOM 700 N PHE A 46 11.830 3.002 -6.823 1.00 0.00 N ATOM 701 CA PHE A 46 12.776 2.396 -5.902 1.00 0.00 C ATOM 702 C PHE A 46 13.629 1.340 -6.607 1.00 0.00 C ATOM 703 O PHE A 46 14.579 0.815 -6.027 1.00 0.00 O ATOM 704 CB PHE A 46 11.957 1.721 -4.800 1.00 0.00 C ATOM 705 CG PHE A 46 11.891 2.519 -3.496 1.00 0.00 C ATOM 706 CD1 PHE A 46 12.993 3.176 -3.044 1.00 0.00 C ATOM 707 CD2 PHE A 46 10.730 2.571 -2.789 1.00 0.00 C ATOM 708 CE1 PHE A 46 12.931 3.916 -1.834 1.00 0.00 C ATOM 709 CE2 PHE A 46 10.669 3.312 -1.579 1.00 0.00 C ATOM 710 CZ PHE A 46 11.770 3.969 -1.127 1.00 0.00 C ATOM 0 H PHE A 46 10.978 2.462 -6.976 1.00 0.00 H new ATOM 0 HA PHE A 46 13.446 3.157 -5.503 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.943 1.556 -5.165 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.385 0.740 -4.592 1.00 0.00 H new ATOM 0 HD1 PHE A 46 13.915 3.135 -3.605 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.855 2.049 -3.148 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.806 4.437 -1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.747 3.354 -1.018 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.723 4.533 -0.207 1.00 0.00 H new ATOM 720 N ASP A 47 13.260 1.060 -7.848 1.00 0.00 N ATOM 721 CA ASP A 47 13.979 0.075 -8.639 1.00 0.00 C ATOM 722 C ASP A 47 13.852 -1.297 -7.975 1.00 0.00 C ATOM 723 O ASP A 47 14.697 -1.681 -7.168 1.00 0.00 O ATOM 724 CB ASP A 47 15.467 0.422 -8.728 1.00 0.00 C ATOM 725 CG ASP A 47 15.960 0.799 -10.127 1.00 0.00 C ATOM 726 OD1 ASP A 47 15.347 1.715 -10.717 1.00 0.00 O ATOM 727 OD2 ASP A 47 16.939 0.163 -10.574 1.00 0.00 O ATOM 0 H ASP A 47 12.472 1.498 -8.326 1.00 0.00 H new ATOM 0 HA ASP A 47 13.549 0.067 -9.641 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.673 1.251 -8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.046 -0.431 -8.373 1.00 0.00 H new ATOM 732 N VAL A 48 12.790 -2.000 -8.340 1.00 0.00 N ATOM 733 CA VAL A 48 12.542 -3.321 -7.790 1.00 0.00 C ATOM 734 C VAL A 48 11.504 -4.042 -8.653 1.00 0.00 C ATOM 735 O VAL A 48 11.656 -5.224 -8.956 1.00 0.00 O ATOM 736 CB VAL A 48 12.123 -3.207 -6.323 1.00 0.00 C ATOM 737 CG1 VAL A 48 13.344 -3.230 -5.401 1.00 0.00 C ATOM 738 CG2 VAL A 48 11.282 -1.951 -6.089 1.00 0.00 C ATOM 0 H VAL A 48 12.091 -1.679 -9.010 1.00 0.00 H new ATOM 0 HA VAL A 48 13.453 -3.919 -7.809 1.00 0.00 H new ATOM 0 HB VAL A 48 11.506 -4.072 -6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 48 13.018 -3.148 -4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 48 13.886 -4.166 -5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.999 -2.393 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.997 -1.894 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.864 -1.069 -6.356 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.385 -1.994 -6.706 1.00 0.00 H new ATOM 748 N GLY A 49 10.472 -3.299 -9.026 1.00 0.00 N ATOM 749 CA GLY A 49 9.410 -3.852 -9.848 1.00 0.00 C ATOM 750 C GLY A 49 8.035 -3.434 -9.322 1.00 0.00 C ATOM 751 O GLY A 49 7.104 -4.237 -9.302 1.00 0.00 O ATOM 0 H GLY A 49 10.349 -2.318 -8.774 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.528 -3.513 -10.877 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.483 -4.939 -9.860 1.00 0.00 H new ATOM 755 N TRP A 50 7.952 -2.178 -8.910 1.00 0.00 N ATOM 756 CA TRP A 50 6.707 -1.643 -8.385 1.00 0.00 C ATOM 757 C TRP A 50 6.095 -0.734 -9.453 1.00 0.00 C ATOM 758 O TRP A 50 6.732 0.216 -9.903 1.00 0.00 O ATOM 759 CB TRP A 50 6.935 -0.929 -7.051 1.00 0.00 C ATOM 760 CG TRP A 50 5.698 -0.209 -6.511 1.00 0.00 C ATOM 761 CD1 TRP A 50 5.213 0.985 -6.878 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.803 -0.688 -5.485 1.00 0.00 C ATOM 763 NE1 TRP A 50 4.075 1.309 -6.167 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.819 0.259 -5.293 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.826 -1.883 -4.744 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.783 0.110 -4.363 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.784 -2.017 -3.819 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.785 -1.072 -3.613 1.00 0.00 C ATOM 0 H TRP A 50 8.727 -1.515 -8.929 1.00 0.00 H new ATOM 0 HA TRP A 50 6.004 -2.447 -8.167 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.269 -1.658 -6.313 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.741 -0.205 -7.171 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.657 1.615 -7.635 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.524 2.162 -6.265 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.587 -2.637 -4.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 2.023 0.866 -4.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.754 -2.918 -3.224 1.00 0.00 H new ATOM 0 HH2 TRP A 50 2.014 -1.249 -2.878 1.00 0.00 H new ATOM 779 N PRO A 51 4.834 -1.067 -9.837 1.00 0.00 N ATOM 780 CA PRO A 51 4.129 -0.292 -10.844 1.00 0.00 C ATOM 781 C PRO A 51 3.640 1.039 -10.268 1.00 0.00 C ATOM 782 O PRO A 51 3.632 1.228 -9.052 1.00 0.00 O ATOM 783 CB PRO A 51 2.995 -1.190 -11.310 1.00 0.00 C ATOM 784 CG PRO A 51 2.825 -2.243 -10.227 1.00 0.00 C ATOM 785 CD PRO A 51 4.048 -2.186 -9.326 1.00 0.00 C ATOM 0 HA PRO A 51 4.767 -0.012 -11.682 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.076 -0.620 -11.448 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.231 -1.651 -12.269 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.918 -2.056 -9.652 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.723 -3.234 -10.670 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.766 -2.029 -8.285 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.613 -3.117 -9.366 1.00 0.00 H new ATOM 793 N PRO A 52 3.232 1.950 -11.192 1.00 0.00 N ATOM 794 CA PRO A 52 2.743 3.257 -10.788 1.00 0.00 C ATOM 795 C PRO A 52 1.329 3.159 -10.211 1.00 0.00 C ATOM 796 O PRO A 52 0.983 3.884 -9.280 1.00 0.00 O ATOM 797 CB PRO A 52 2.813 4.109 -12.045 1.00 0.00 C ATOM 798 CG PRO A 52 2.897 3.132 -13.206 1.00 0.00 C ATOM 799 CD PRO A 52 3.227 1.761 -12.639 1.00 0.00 C ATOM 0 HA PRO A 52 3.337 3.700 -9.989 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.934 4.747 -12.134 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.682 4.766 -12.024 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.953 3.103 -13.749 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.663 3.446 -13.915 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.486 1.020 -12.939 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.194 1.407 -12.996 1.00 0.00 H new ATOM 807 N GLU A 53 0.550 2.256 -10.788 1.00 0.00 N ATOM 808 CA GLU A 53 -0.818 2.053 -10.343 1.00 0.00 C ATOM 809 C GLU A 53 -0.838 1.273 -9.027 1.00 0.00 C ATOM 810 O GLU A 53 -1.876 1.177 -8.374 1.00 0.00 O ATOM 811 CB GLU A 53 -1.644 1.340 -11.415 1.00 0.00 C ATOM 812 CG GLU A 53 -1.904 2.261 -12.609 1.00 0.00 C ATOM 813 CD GLU A 53 -0.686 2.320 -13.532 1.00 0.00 C ATOM 814 OE1 GLU A 53 -0.151 1.232 -13.837 1.00 0.00 O ATOM 815 OE2 GLU A 53 -0.316 3.452 -13.913 1.00 0.00 O ATOM 0 H GLU A 53 0.840 1.656 -11.560 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.272 3.029 -10.171 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.119 0.445 -11.749 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.593 1.013 -10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.770 1.904 -13.166 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.145 3.263 -12.254 1.00 0.00 H new ATOM 822 N GLY A 54 0.322 0.736 -8.676 1.00 0.00 N ATOM 823 CA GLY A 54 0.450 -0.033 -7.450 1.00 0.00 C ATOM 824 C GLY A 54 0.210 -1.521 -7.708 1.00 0.00 C ATOM 825 O GLY A 54 -0.096 -1.919 -8.832 1.00 0.00 O ATOM 0 H GLY A 54 1.181 0.819 -9.219 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.445 0.111 -7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.264 0.331 -6.712 1.00 0.00 H new ATOM 829 N THR A 55 0.358 -2.304 -6.650 1.00 0.00 N ATOM 830 CA THR A 55 0.160 -3.740 -6.748 1.00 0.00 C ATOM 831 C THR A 55 -0.090 -4.340 -5.363 1.00 0.00 C ATOM 832 O THR A 55 0.410 -3.830 -4.362 1.00 0.00 O ATOM 833 CB THR A 55 1.377 -4.337 -7.458 1.00 0.00 C ATOM 834 OG1 THR A 55 1.015 -5.697 -7.683 1.00 0.00 O ATOM 835 CG2 THR A 55 2.603 -4.425 -6.546 1.00 0.00 C ATOM 0 H THR A 55 0.613 -1.971 -5.720 1.00 0.00 H new ATOM 0 HA THR A 55 -0.727 -3.978 -7.335 1.00 0.00 H new ATOM 0 HB THR A 55 1.618 -3.734 -8.333 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.748 -6.159 -8.142 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.438 -4.855 -7.099 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.872 -3.427 -6.201 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.373 -5.056 -5.687 1.00 0.00 H new ATOM 843 N PHE A 56 -0.864 -5.415 -5.350 1.00 0.00 N ATOM 844 CA PHE A 56 -1.187 -6.090 -4.104 1.00 0.00 C ATOM 845 C PHE A 56 -0.358 -7.366 -3.941 1.00 0.00 C ATOM 846 O PHE A 56 -0.810 -8.329 -3.324 1.00 0.00 O ATOM 847 CB PHE A 56 -2.669 -6.463 -4.169 1.00 0.00 C ATOM 848 CG PHE A 56 -3.617 -5.295 -3.893 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.476 -4.557 -2.759 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.602 -4.994 -4.781 1.00 0.00 C ATOM 851 CE1 PHE A 56 -4.356 -3.473 -2.503 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.483 -3.910 -4.525 1.00 0.00 C ATOM 853 CZ PHE A 56 -5.341 -3.172 -3.391 1.00 0.00 C ATOM 0 H PHE A 56 -1.277 -5.836 -6.182 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.969 -5.437 -3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.888 -6.870 -5.156 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.866 -7.256 -3.447 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.694 -4.796 -2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.714 -5.580 -5.681 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.243 -2.887 -1.603 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.265 -3.672 -5.230 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.010 -2.347 -3.196 1.00 0.00 H new ATOM 863 N ASP A 57 0.840 -7.332 -4.505 1.00 0.00 N ATOM 864 CA ASP A 57 1.736 -8.473 -4.430 1.00 0.00 C ATOM 865 C ASP A 57 2.733 -8.260 -3.290 1.00 0.00 C ATOM 866 O ASP A 57 3.619 -7.412 -3.386 1.00 0.00 O ATOM 867 CB ASP A 57 2.529 -8.637 -5.728 1.00 0.00 C ATOM 868 CG ASP A 57 3.348 -9.926 -5.827 1.00 0.00 C ATOM 869 OD1 ASP A 57 3.180 -10.776 -4.926 1.00 0.00 O ATOM 870 OD2 ASP A 57 4.124 -10.031 -6.801 1.00 0.00 O ATOM 0 H ASP A 57 1.211 -6.531 -5.016 1.00 0.00 H new ATOM 0 HA ASP A 57 1.132 -9.365 -4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.835 -8.600 -6.567 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.203 -7.787 -5.834 1.00 0.00 H new ATOM 875 N LEU A 58 2.555 -9.043 -2.236 1.00 0.00 N ATOM 876 CA LEU A 58 3.428 -8.950 -1.079 1.00 0.00 C ATOM 877 C LEU A 58 4.884 -8.895 -1.547 1.00 0.00 C ATOM 878 O LEU A 58 5.695 -8.165 -0.979 1.00 0.00 O ATOM 879 CB LEU A 58 3.140 -10.089 -0.098 1.00 0.00 C ATOM 880 CG LEU A 58 3.067 -9.698 1.380 1.00 0.00 C ATOM 881 CD1 LEU A 58 1.712 -9.074 1.716 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.387 -10.894 2.279 1.00 0.00 C ATOM 0 H LEU A 58 1.819 -9.745 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 58 3.235 -8.029 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.194 -10.553 -0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.914 -10.847 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 58 3.826 -8.939 1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.687 -8.805 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.563 -8.180 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.919 -9.791 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.328 -10.590 3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.668 -11.692 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.393 -11.254 2.062 1.00 0.00 H new ATOM 894 N THR A 59 5.171 -9.677 -2.577 1.00 0.00 N ATOM 895 CA THR A 59 6.515 -9.726 -3.128 1.00 0.00 C ATOM 896 C THR A 59 6.971 -8.327 -3.547 1.00 0.00 C ATOM 897 O THR A 59 8.102 -7.930 -3.271 1.00 0.00 O ATOM 898 CB THR A 59 6.518 -10.736 -4.277 1.00 0.00 C ATOM 899 OG1 THR A 59 6.442 -12.002 -3.627 1.00 0.00 O ATOM 900 CG2 THR A 59 7.857 -10.776 -5.017 1.00 0.00 C ATOM 0 H THR A 59 4.496 -10.282 -3.045 1.00 0.00 H new ATOM 0 HA THR A 59 7.237 -10.059 -2.382 1.00 0.00 H new ATOM 0 HB THR A 59 5.722 -10.489 -4.980 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.437 -12.715 -4.299 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.806 -11.508 -5.823 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.072 -9.792 -5.434 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.649 -11.056 -4.322 1.00 0.00 H new ATOM 908 N VAL A 60 6.067 -7.618 -4.207 1.00 0.00 N ATOM 909 CA VAL A 60 6.363 -6.272 -4.667 1.00 0.00 C ATOM 910 C VAL A 60 6.334 -5.312 -3.476 1.00 0.00 C ATOM 911 O VAL A 60 7.088 -4.341 -3.438 1.00 0.00 O ATOM 912 CB VAL A 60 5.390 -5.873 -5.779 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.766 -4.516 -6.377 1.00 0.00 C ATOM 914 CG2 VAL A 60 5.324 -6.951 -6.863 1.00 0.00 C ATOM 0 H VAL A 60 5.130 -7.950 -4.434 1.00 0.00 H new ATOM 0 HA VAL A 60 7.364 -6.227 -5.097 1.00 0.00 H new ATOM 0 HB VAL A 60 4.398 -5.780 -5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.058 -4.257 -7.165 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.737 -3.754 -5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.771 -4.569 -6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.626 -6.642 -7.641 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.314 -7.090 -7.298 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.986 -7.889 -6.423 1.00 0.00 H new ATOM 924 N ILE A 61 5.457 -5.618 -2.531 1.00 0.00 N ATOM 925 CA ILE A 61 5.320 -4.795 -1.342 1.00 0.00 C ATOM 926 C ILE A 61 6.592 -4.910 -0.499 1.00 0.00 C ATOM 927 O ILE A 61 7.200 -3.901 -0.146 1.00 0.00 O ATOM 928 CB ILE A 61 4.044 -5.161 -0.581 1.00 0.00 C ATOM 929 CG1 ILE A 61 2.799 -4.769 -1.380 1.00 0.00 C ATOM 930 CG2 ILE A 61 4.044 -4.543 0.819 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.522 -5.137 -0.621 1.00 0.00 C ATOM 0 H ILE A 61 4.834 -6.425 -2.565 1.00 0.00 H new ATOM 0 HA ILE A 61 5.211 -3.746 -1.616 1.00 0.00 H new ATOM 0 HB ILE A 61 4.019 -6.243 -0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.812 -3.697 -1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.810 -5.272 -2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.126 -4.819 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.903 -4.912 1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.103 -3.458 0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.652 -4.848 -1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.500 -6.213 -0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.503 -4.613 0.335 1.00 0.00 H new ATOM 943 N PHE A 62 6.956 -6.148 -0.201 1.00 0.00 N ATOM 944 CA PHE A 62 8.145 -6.408 0.594 1.00 0.00 C ATOM 945 C PHE A 62 9.370 -5.721 -0.012 1.00 0.00 C ATOM 946 O PHE A 62 10.311 -5.378 0.702 1.00 0.00 O ATOM 947 CB PHE A 62 8.367 -7.922 0.585 1.00 0.00 C ATOM 948 CG PHE A 62 7.901 -8.626 1.861 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.594 -8.565 2.233 1.00 0.00 C ATOM 950 CD2 PHE A 62 8.794 -9.313 2.623 1.00 0.00 C ATOM 951 CE1 PHE A 62 6.162 -9.219 3.417 1.00 0.00 C ATOM 952 CE2 PHE A 62 8.361 -9.967 3.807 1.00 0.00 C ATOM 953 CZ PHE A 62 7.054 -9.906 4.179 1.00 0.00 C ATOM 0 H PHE A 62 6.449 -6.983 -0.495 1.00 0.00 H new ATOM 0 HA PHE A 62 8.009 -6.023 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.841 -8.351 -0.268 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.428 -8.123 0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.885 -8.019 1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.832 -9.361 2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.124 -9.171 3.712 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.070 -10.513 4.412 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.725 -10.403 5.080 1.00 0.00 H new ATOM 963 N GLU A 63 9.320 -5.541 -1.324 1.00 0.00 N ATOM 964 CA GLU A 63 10.414 -4.901 -2.034 1.00 0.00 C ATOM 965 C GLU A 63 10.543 -3.439 -1.604 1.00 0.00 C ATOM 966 O GLU A 63 11.622 -2.995 -1.214 1.00 0.00 O ATOM 967 CB GLU A 63 10.225 -5.013 -3.548 1.00 0.00 C ATOM 968 CG GLU A 63 10.541 -6.428 -4.037 1.00 0.00 C ATOM 969 CD GLU A 63 11.643 -6.408 -5.099 1.00 0.00 C ATOM 970 OE1 GLU A 63 12.819 -6.285 -4.694 1.00 0.00 O ATOM 971 OE2 GLU A 63 11.284 -6.515 -6.292 1.00 0.00 O ATOM 0 H GLU A 63 8.539 -5.827 -1.914 1.00 0.00 H new ATOM 0 HA GLU A 63 11.339 -5.417 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.199 -4.755 -3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.873 -4.297 -4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.853 -7.046 -3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.641 -6.883 -4.450 1.00 0.00 H new ATOM 978 N VAL A 64 9.427 -2.729 -1.691 1.00 0.00 N ATOM 979 CA VAL A 64 9.402 -1.326 -1.316 1.00 0.00 C ATOM 980 C VAL A 64 9.622 -1.201 0.193 1.00 0.00 C ATOM 981 O VAL A 64 10.297 -0.281 0.652 1.00 0.00 O ATOM 982 CB VAL A 64 8.095 -0.682 -1.784 1.00 0.00 C ATOM 983 CG1 VAL A 64 7.805 0.600 -1.003 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.127 -0.412 -3.290 1.00 0.00 C ATOM 0 H VAL A 64 8.534 -3.100 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 64 10.210 -0.785 -1.808 1.00 0.00 H new ATOM 0 HB VAL A 64 7.285 -1.384 -1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.871 1.037 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.719 0.368 0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.618 1.310 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.187 0.046 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.952 0.262 -3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.265 -1.351 -3.825 1.00 0.00 H new ATOM 994 N LYS A 65 9.039 -2.141 0.923 1.00 0.00 N ATOM 995 CA LYS A 65 9.163 -2.148 2.371 1.00 0.00 C ATOM 996 C LYS A 65 10.631 -2.347 2.752 1.00 0.00 C ATOM 997 O LYS A 65 11.104 -1.779 3.735 1.00 0.00 O ATOM 998 CB LYS A 65 8.222 -3.187 2.984 1.00 0.00 C ATOM 999 CG LYS A 65 8.816 -3.777 4.265 1.00 0.00 C ATOM 1000 CD LYS A 65 7.807 -4.686 4.969 1.00 0.00 C ATOM 1001 CE LYS A 65 6.633 -3.876 5.523 1.00 0.00 C ATOM 1002 NZ LYS A 65 5.434 -4.054 4.673 1.00 0.00 N ATOM 0 H LYS A 65 8.480 -2.903 0.539 1.00 0.00 H new ATOM 0 HA LYS A 65 8.854 -1.188 2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.259 -2.726 3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.036 -3.984 2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.716 -4.343 4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.115 -2.972 4.936 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.438 -5.436 4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.299 -5.222 5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.414 -4.193 6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.901 -2.820 5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.868 -3.182 4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.728 -4.263 3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.863 -4.842 5.039 1.00 0.00 H new ATOM 1016 N ALA A 66 11.312 -3.157 1.954 1.00 0.00 N ATOM 1017 CA ALA A 66 12.717 -3.439 2.195 1.00 0.00 C ATOM 1018 C ALA A 66 13.504 -2.127 2.186 1.00 0.00 C ATOM 1019 O ALA A 66 14.229 -1.827 3.134 1.00 0.00 O ATOM 1020 CB ALA A 66 13.226 -4.431 1.148 1.00 0.00 C ATOM 0 H ALA A 66 10.916 -3.627 1.140 1.00 0.00 H new ATOM 0 HA ALA A 66 12.854 -3.900 3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.280 -4.642 1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.654 -5.356 1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.108 -4.002 0.153 1.00 0.00 H new ATOM 1026 N ILE A 67 13.335 -1.380 1.106 1.00 0.00 N ATOM 1027 CA ILE A 67 14.020 -0.107 0.961 1.00 0.00 C ATOM 1028 C ILE A 67 13.495 0.873 2.012 1.00 0.00 C ATOM 1029 O ILE A 67 14.269 1.611 2.619 1.00 0.00 O ATOM 1030 CB ILE A 67 13.898 0.408 -0.475 1.00 0.00 C ATOM 1031 CG1 ILE A 67 14.571 -0.550 -1.460 1.00 0.00 C ATOM 1032 CG2 ILE A 67 14.444 1.832 -0.596 1.00 0.00 C ATOM 1033 CD1 ILE A 67 13.573 -1.052 -2.506 1.00 0.00 C ATOM 0 H ILE A 67 12.733 -1.632 0.322 1.00 0.00 H new ATOM 0 HA ILE A 67 15.088 -0.227 1.142 1.00 0.00 H new ATOM 0 HB ILE A 67 12.840 0.446 -0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 67 15.400 -0.044 -1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 67 14.993 -1.397 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 67 14.345 2.173 -1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.881 2.495 0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.496 1.844 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 67 14.077 -1.731 -3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 67 12.758 -1.578 -2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.172 -0.205 -3.062 1.00 0.00 H new ATOM 1045 N VAL A 68 12.183 0.848 2.195 1.00 0.00 N ATOM 1046 CA VAL A 68 11.546 1.725 3.162 1.00 0.00 C ATOM 1047 C VAL A 68 12.112 1.439 4.554 1.00 0.00 C ATOM 1048 O VAL A 68 12.578 2.350 5.238 1.00 0.00 O ATOM 1049 CB VAL A 68 10.026 1.566 3.091 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.354 2.151 4.335 1.00 0.00 C ATOM 1051 CG2 VAL A 68 9.467 2.201 1.816 1.00 0.00 C ATOM 0 H VAL A 68 11.544 0.234 1.690 1.00 0.00 H new ATOM 0 HA VAL A 68 11.762 2.768 2.931 1.00 0.00 H new ATOM 0 HB VAL A 68 9.802 0.500 3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.274 2.025 4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.718 1.633 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.591 3.212 4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.385 2.074 1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.708 3.264 1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.910 1.718 0.945 1.00 0.00 H new ATOM 1061 N PHE A 69 12.054 0.171 4.933 1.00 0.00 N ATOM 1062 CA PHE A 69 12.555 -0.246 6.231 1.00 0.00 C ATOM 1063 C PHE A 69 14.052 -0.556 6.167 1.00 0.00 C ATOM 1064 O PHE A 69 14.509 -1.549 6.730 1.00 0.00 O ATOM 1065 CB PHE A 69 11.799 -1.520 6.614 1.00 0.00 C ATOM 1066 CG PHE A 69 10.361 -1.275 7.075 1.00 0.00 C ATOM 1067 CD1 PHE A 69 9.392 -0.999 6.162 1.00 0.00 C ATOM 1068 CD2 PHE A 69 10.052 -1.334 8.398 1.00 0.00 C ATOM 1069 CE1 PHE A 69 8.057 -0.772 6.590 1.00 0.00 C ATOM 1070 CE2 PHE A 69 8.717 -1.107 8.827 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.748 -0.831 7.913 1.00 0.00 C ATOM 0 H PHE A 69 11.667 -0.582 4.363 1.00 0.00 H new ATOM 0 HA PHE A 69 12.407 0.550 6.960 1.00 0.00 H new ATOM 0 HB2 PHE A 69 11.785 -2.194 5.757 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.343 -2.028 7.410 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.638 -0.952 5.111 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.822 -1.554 9.123 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.287 -0.553 5.865 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.472 -1.153 9.878 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.733 -0.659 8.238 1.00 0.00 H new ATOM 1081 N GLN A 70 14.775 0.314 5.476 1.00 0.00 N ATOM 1082 CA GLN A 70 16.211 0.146 5.331 1.00 0.00 C ATOM 1083 C GLN A 70 16.953 1.053 6.315 1.00 0.00 C ATOM 1084 O GLN A 70 16.611 2.225 6.464 1.00 0.00 O ATOM 1085 CB GLN A 70 16.652 0.421 3.892 1.00 0.00 C ATOM 1086 CG GLN A 70 17.074 1.881 3.717 1.00 0.00 C ATOM 1087 CD GLN A 70 17.480 2.165 2.270 1.00 0.00 C ATOM 1088 OE1 GLN A 70 18.534 1.766 1.804 1.00 0.00 O ATOM 1089 NE2 GLN A 70 16.586 2.875 1.587 1.00 0.00 N ATOM 0 H GLN A 70 14.393 1.137 5.011 1.00 0.00 H new ATOM 0 HA GLN A 70 16.462 -0.889 5.561 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.482 -0.235 3.631 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.836 0.190 3.207 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.252 2.537 4.003 1.00 0.00 H new ATOM 0 HG3 GLN A 70 17.908 2.105 4.383 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.723 3.178 2.038 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.764 3.117 0.612 1.00 0.00 H new ATOM 1098 N ASP A 71 17.956 0.476 6.961 1.00 0.00 N ATOM 1099 CA ASP A 71 18.749 1.217 7.926 1.00 0.00 C ATOM 1100 C ASP A 71 17.831 2.130 8.741 1.00 0.00 C ATOM 1101 O ASP A 71 16.645 1.842 8.900 1.00 0.00 O ATOM 1102 CB ASP A 71 19.789 2.095 7.227 1.00 0.00 C ATOM 1103 CG ASP A 71 21.085 2.311 8.010 1.00 0.00 C ATOM 1104 OD1 ASP A 71 21.593 1.307 8.555 1.00 0.00 O ATOM 1105 OD2 ASP A 71 21.539 3.475 8.046 1.00 0.00 O ATOM 0 H ASP A 71 18.237 -0.496 6.835 1.00 0.00 H new ATOM 0 HA ASP A 71 19.257 0.497 8.568 1.00 0.00 H new ATOM 0 HB2 ASP A 71 20.034 1.645 6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 71 19.341 3.067 7.020 1.00 0.00 H new ATOM 1110 N GLY A 72 18.413 3.212 9.237 1.00 0.00 N ATOM 1111 CA GLY A 72 17.662 4.168 10.032 1.00 0.00 C ATOM 1112 C GLY A 72 17.313 5.410 9.209 1.00 0.00 C ATOM 1113 O GLY A 72 16.156 5.612 8.842 1.00 0.00 O ATOM 0 H GLY A 72 19.396 3.448 9.103 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.748 3.702 10.400 1.00 0.00 H new ATOM 0 HA3 GLY A 72 18.246 4.458 10.906 1.00 0.00 H new ATOM 1117 N PRO A 73 18.361 6.233 8.937 1.00 0.00 N ATOM 1118 CA PRO A 73 18.177 7.450 8.165 1.00 0.00 C ATOM 1119 C PRO A 73 17.994 7.134 6.679 1.00 0.00 C ATOM 1120 O PRO A 73 17.698 8.024 5.883 1.00 0.00 O ATOM 1121 CB PRO A 73 19.415 8.285 8.446 1.00 0.00 C ATOM 1122 CG PRO A 73 20.455 7.320 8.990 1.00 0.00 C ATOM 1123 CD PRO A 73 19.745 6.027 9.355 1.00 0.00 C ATOM 0 HA PRO A 73 17.274 7.993 8.445 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.771 8.772 7.538 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.199 9.073 9.167 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.229 7.133 8.246 1.00 0.00 H new ATOM 0 HG3 PRO A 73 20.949 7.744 9.864 1.00 0.00 H new ATOM 0 HD2 PRO A 73 20.190 5.173 8.844 1.00 0.00 H new ATOM 0 HD3 PRO A 73 19.810 5.828 10.425 1.00 0.00 H new ATOM 1131 N GLY A 74 18.178 5.863 6.350 1.00 0.00 N ATOM 1132 CA GLY A 74 18.037 5.419 4.973 1.00 0.00 C ATOM 1133 C GLY A 74 16.641 4.847 4.722 1.00 0.00 C ATOM 1134 O GLY A 74 16.232 4.679 3.575 1.00 0.00 O ATOM 0 H GLY A 74 18.423 5.127 7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 74 18.218 6.255 4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 74 18.789 4.662 4.752 1.00 0.00 H new ATOM 1138 N SER A 75 15.947 4.564 5.815 1.00 0.00 N ATOM 1139 CA SER A 75 14.605 4.014 5.728 1.00 0.00 C ATOM 1140 C SER A 75 13.590 5.141 5.528 1.00 0.00 C ATOM 1141 O SER A 75 13.969 6.293 5.321 1.00 0.00 O ATOM 1142 CB SER A 75 14.259 3.204 6.979 1.00 0.00 C ATOM 1143 OG SER A 75 15.115 3.520 8.073 1.00 0.00 O ATOM 0 H SER A 75 16.289 4.705 6.765 1.00 0.00 H new ATOM 0 HA SER A 75 14.566 3.342 4.871 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.224 3.397 7.261 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.335 2.140 6.755 1.00 0.00 H new ATOM 0 HG SER A 75 15.825 2.848 8.137 1.00 0.00 H new ATOM 1149 N HIS A 76 12.320 4.770 5.598 1.00 0.00 N ATOM 1150 CA HIS A 76 11.247 5.736 5.427 1.00 0.00 C ATOM 1151 C HIS A 76 10.185 5.519 6.507 1.00 0.00 C ATOM 1152 O HIS A 76 9.319 4.657 6.366 1.00 0.00 O ATOM 1153 CB HIS A 76 10.675 5.668 4.010 1.00 0.00 C ATOM 1154 CG HIS A 76 11.647 6.091 2.934 1.00 0.00 C ATOM 1155 ND1 HIS A 76 12.114 7.388 2.814 1.00 0.00 N ATOM 1156 CD2 HIS A 76 12.235 5.376 1.933 1.00 0.00 C ATOM 1157 CE1 HIS A 76 12.944 7.440 1.783 1.00 0.00 C ATOM 1158 NE2 HIS A 76 13.018 6.192 1.238 1.00 0.00 N ATOM 0 H HIS A 76 12.010 3.814 5.771 1.00 0.00 H new ATOM 0 HA HIS A 76 11.639 6.746 5.549 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.349 4.648 3.810 1.00 0.00 H new ATOM 0 HB3 HIS A 76 9.790 6.302 3.956 1.00 0.00 H new ATOM 0 HD2 HIS A 76 12.088 4.324 1.738 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.470 8.317 1.435 1.00 0.00 H new ATOM 0 HE2 HIS A 76 13.582 5.929 0.430 1.00 0.00 H new ATOM 1166 N PRO A 77 10.289 6.337 7.588 1.00 0.00 N ATOM 1167 CA PRO A 77 9.347 6.243 8.691 1.00 0.00 C ATOM 1168 C PRO A 77 7.997 6.856 8.313 1.00 0.00 C ATOM 1169 O PRO A 77 7.026 6.733 9.057 1.00 0.00 O ATOM 1170 CB PRO A 77 10.023 6.961 9.847 1.00 0.00 C ATOM 1171 CG PRO A 77 11.105 7.829 9.224 1.00 0.00 C ATOM 1172 CD PRO A 77 11.301 7.369 7.789 1.00 0.00 C ATOM 0 HA PRO A 77 9.116 5.212 8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.307 7.568 10.402 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.452 6.249 10.552 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.815 8.879 9.252 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.036 7.740 9.784 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.170 8.193 7.088 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.305 6.974 7.634 1.00 0.00 H new ATOM 1180 N ASP A 78 7.981 7.504 7.157 1.00 0.00 N ATOM 1181 CA ASP A 78 6.766 8.137 6.672 1.00 0.00 C ATOM 1182 C ASP A 78 5.977 7.135 5.826 1.00 0.00 C ATOM 1183 O ASP A 78 4.754 7.054 5.934 1.00 0.00 O ATOM 1184 CB ASP A 78 7.089 9.347 5.793 1.00 0.00 C ATOM 1185 CG ASP A 78 7.043 10.698 6.509 1.00 0.00 C ATOM 1186 OD1 ASP A 78 6.484 10.728 7.627 1.00 0.00 O ATOM 1187 OD2 ASP A 78 7.568 11.669 5.924 1.00 0.00 O ATOM 0 H ASP A 78 8.789 7.604 6.543 1.00 0.00 H new ATOM 0 HA ASP A 78 6.187 8.463 7.536 1.00 0.00 H new ATOM 0 HB2 ASP A 78 8.083 9.212 5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.386 9.370 4.960 1.00 0.00 H new ATOM 1192 N GLN A 79 6.709 6.397 5.005 1.00 0.00 N ATOM 1193 CA GLN A 79 6.093 5.404 4.142 1.00 0.00 C ATOM 1194 C GLN A 79 5.988 4.061 4.868 1.00 0.00 C ATOM 1195 O GLN A 79 5.224 3.188 4.459 1.00 0.00 O ATOM 1196 CB GLN A 79 6.869 5.259 2.831 1.00 0.00 C ATOM 1197 CG GLN A 79 6.957 6.598 2.096 1.00 0.00 C ATOM 1198 CD GLN A 79 8.205 7.375 2.519 1.00 0.00 C ATOM 1199 OE1 GLN A 79 8.300 7.896 3.618 1.00 0.00 O ATOM 1200 NE2 GLN A 79 9.153 7.424 1.588 1.00 0.00 N ATOM 0 H GLN A 79 7.723 6.467 4.919 1.00 0.00 H new ATOM 0 HA GLN A 79 5.086 5.741 3.895 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.872 4.887 3.037 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.380 4.522 2.194 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.979 6.425 1.020 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.067 7.191 2.305 1.00 0.00 H new ATOM 0 HE21 GLN A 79 9.008 6.966 0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 79 10.025 7.920 1.773 1.00 0.00 H new ATOM 1209 N GLN A 80 6.767 3.938 5.932 1.00 0.00 N ATOM 1210 CA GLN A 80 6.772 2.716 6.719 1.00 0.00 C ATOM 1211 C GLN A 80 5.340 2.301 7.063 1.00 0.00 C ATOM 1212 O GLN A 80 4.966 1.143 6.885 1.00 0.00 O ATOM 1213 CB GLN A 80 7.613 2.883 7.986 1.00 0.00 C ATOM 1214 CG GLN A 80 9.004 2.272 7.805 1.00 0.00 C ATOM 1215 CD GLN A 80 9.960 2.751 8.899 1.00 0.00 C ATOM 1216 OE1 GLN A 80 9.745 2.544 10.082 1.00 0.00 O ATOM 1217 NE2 GLN A 80 11.025 3.401 8.439 1.00 0.00 N ATOM 0 H GLN A 80 7.399 4.664 6.268 1.00 0.00 H new ATOM 0 HA GLN A 80 7.226 1.925 6.123 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.706 3.942 8.228 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.109 2.406 8.827 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.933 1.185 7.829 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.400 2.544 6.827 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.144 3.540 7.435 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.723 3.761 9.090 1.00 0.00 H new ATOM 1226 N PRO A 81 4.557 3.295 7.562 1.00 0.00 N ATOM 1227 CA PRO A 81 3.174 3.044 7.932 1.00 0.00 C ATOM 1228 C PRO A 81 2.288 2.923 6.691 1.00 0.00 C ATOM 1229 O PRO A 81 1.217 2.320 6.745 1.00 0.00 O ATOM 1230 CB PRO A 81 2.789 4.212 8.825 1.00 0.00 C ATOM 1231 CG PRO A 81 3.809 5.304 8.548 1.00 0.00 C ATOM 1232 CD PRO A 81 4.966 4.678 7.786 1.00 0.00 C ATOM 0 HA PRO A 81 3.043 2.098 8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.779 4.556 8.603 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.804 3.922 9.875 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.359 6.108 7.966 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.160 5.744 9.481 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.146 5.195 6.844 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.892 4.729 8.359 1.00 0.00 H new ATOM 1240 N TYR A 82 2.767 3.505 5.601 1.00 0.00 N ATOM 1241 CA TYR A 82 2.031 3.469 4.349 1.00 0.00 C ATOM 1242 C TYR A 82 2.194 2.115 3.656 1.00 0.00 C ATOM 1243 O TYR A 82 1.210 1.499 3.251 1.00 0.00 O ATOM 1244 CB TYR A 82 2.647 4.557 3.467 1.00 0.00 C ATOM 1245 CG TYR A 82 2.239 5.979 3.857 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.454 6.431 5.143 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.655 6.810 2.922 1.00 0.00 C ATOM 1248 CE1 TYR A 82 2.070 7.770 5.509 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.270 8.149 3.289 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.497 8.562 4.564 1.00 0.00 C ATOM 1251 OH TYR A 82 1.134 9.826 4.910 1.00 0.00 O ATOM 0 H TYR A 82 3.656 4.004 5.559 1.00 0.00 H new ATOM 0 HA TYR A 82 0.967 3.625 4.525 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.733 4.476 3.513 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.358 4.378 2.431 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.910 5.781 5.875 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.487 6.456 1.915 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.234 8.137 6.512 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.812 8.809 2.568 1.00 0.00 H new ATOM 0 HH TYR A 82 1.858 10.447 4.687 1.00 0.00 H new ATOM 1261 N ILE A 83 3.444 1.692 3.541 1.00 0.00 N ATOM 1262 CA ILE A 83 3.749 0.422 2.904 1.00 0.00 C ATOM 1263 C ILE A 83 3.173 -0.718 3.747 1.00 0.00 C ATOM 1264 O ILE A 83 2.745 -1.738 3.209 1.00 0.00 O ATOM 1265 CB ILE A 83 5.252 0.298 2.647 1.00 0.00 C ATOM 1266 CG1 ILE A 83 5.549 -0.842 1.671 1.00 0.00 C ATOM 1267 CG2 ILE A 83 6.022 0.144 3.960 1.00 0.00 C ATOM 1268 CD1 ILE A 83 4.908 -0.578 0.307 1.00 0.00 C ATOM 0 H ILE A 83 4.258 2.206 3.878 1.00 0.00 H new ATOM 0 HA ILE A 83 3.276 0.365 1.924 1.00 0.00 H new ATOM 0 HB ILE A 83 5.596 1.220 2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.627 -0.954 1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.173 -1.781 2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.088 0.058 3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.846 1.016 4.589 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.681 -0.752 4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.135 -1.404 -0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.828 -0.491 0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.304 0.349 -0.108 1.00 0.00 H new ATOM 1280 N THR A 84 3.181 -0.506 5.055 1.00 0.00 N ATOM 1281 CA THR A 84 2.665 -1.502 5.978 1.00 0.00 C ATOM 1282 C THR A 84 1.196 -1.802 5.672 1.00 0.00 C ATOM 1283 O THR A 84 0.806 -2.963 5.558 1.00 0.00 O ATOM 1284 CB THR A 84 2.898 -0.994 7.402 1.00 0.00 C ATOM 1285 OG1 THR A 84 4.309 -1.091 7.578 1.00 0.00 O ATOM 1286 CG2 THR A 84 2.325 -1.937 8.461 1.00 0.00 C ATOM 0 H THR A 84 3.537 0.341 5.497 1.00 0.00 H new ATOM 0 HA THR A 84 3.188 -2.452 5.868 1.00 0.00 H new ATOM 0 HB THR A 84 2.449 -0.007 7.514 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.685 -0.195 7.709 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.518 -1.530 9.453 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.250 -2.040 8.313 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.799 -2.915 8.372 1.00 0.00 H new ATOM 1294 N VAL A 85 0.420 -0.734 5.550 1.00 0.00 N ATOM 1295 CA VAL A 85 -0.997 -0.868 5.260 1.00 0.00 C ATOM 1296 C VAL A 85 -1.178 -1.712 3.997 1.00 0.00 C ATOM 1297 O VAL A 85 -1.999 -2.628 3.971 1.00 0.00 O ATOM 1298 CB VAL A 85 -1.642 0.516 5.152 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.104 0.406 4.717 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -1.518 1.283 6.470 1.00 0.00 C ATOM 0 H VAL A 85 0.746 0.227 5.647 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.505 -1.387 6.073 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.106 1.077 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.539 1.403 4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.158 -0.082 3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.658 -0.182 5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.984 2.263 6.366 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.017 0.726 7.263 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.465 1.407 6.721 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.398 -1.374 2.981 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.462 -2.090 1.718 1.00 0.00 C ATOM 1312 C TRP A 86 -0.290 -3.582 2.011 1.00 0.00 C ATOM 1313 O TRP A 86 -1.066 -4.405 1.529 1.00 0.00 O ATOM 1314 CB TRP A 86 0.575 -1.551 0.730 1.00 0.00 C ATOM 1315 CG TRP A 86 0.091 -0.353 -0.089 1.00 0.00 C ATOM 1316 CD1 TRP A 86 0.010 0.929 0.293 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.379 -0.378 -1.453 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.476 1.728 -0.722 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.720 0.908 -1.817 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -0.511 -1.453 -2.351 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.215 1.241 -3.084 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -1.008 -1.104 -3.612 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.355 0.187 -3.994 1.00 0.00 C ATOM 0 H TRP A 86 0.282 -0.614 3.006 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.428 -1.939 1.237 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.471 -1.264 1.280 1.00 0.00 H new ATOM 0 HB3 TRP A 86 0.863 -2.352 0.048 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.290 1.291 1.271 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.628 2.736 -0.677 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.249 -2.467 -2.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.475 2.256 -3.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.131 -1.893 -4.339 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -1.731 0.376 -4.989 1.00 0.00 H new ATOM 1334 N GLN A 87 0.731 -3.884 2.800 1.00 0.00 N ATOM 1335 CA GLN A 87 1.014 -5.262 3.162 1.00 0.00 C ATOM 1336 C GLN A 87 -0.225 -5.913 3.780 1.00 0.00 C ATOM 1337 O GLN A 87 -0.461 -7.106 3.595 1.00 0.00 O ATOM 1338 CB GLN A 87 2.209 -5.344 4.114 1.00 0.00 C ATOM 1339 CG GLN A 87 2.487 -6.793 4.521 1.00 0.00 C ATOM 1340 CD GLN A 87 2.815 -6.890 6.012 1.00 0.00 C ATOM 1341 OE1 GLN A 87 2.175 -6.284 6.856 1.00 0.00 O ATOM 1342 NE2 GLN A 87 3.845 -7.684 6.289 1.00 0.00 N ATOM 0 H GLN A 87 1.372 -3.198 3.198 1.00 0.00 H new ATOM 0 HA GLN A 87 1.275 -5.809 2.256 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.091 -4.922 3.633 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.013 -4.744 5.003 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.618 -7.411 4.295 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.318 -7.186 3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.338 -8.162 5.535 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.142 -7.815 7.256 1.00 0.00 H new ATOM 1351 N ASP A 88 -0.984 -5.102 4.502 1.00 0.00 N ATOM 1352 CA ASP A 88 -2.192 -5.584 5.148 1.00 0.00 C ATOM 1353 C ASP A 88 -3.258 -5.862 4.085 1.00 0.00 C ATOM 1354 O ASP A 88 -4.016 -6.824 4.198 1.00 0.00 O ATOM 1355 CB ASP A 88 -2.753 -4.541 6.117 1.00 0.00 C ATOM 1356 CG ASP A 88 -3.415 -5.115 7.372 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -4.180 -6.090 7.214 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -3.141 -4.564 8.460 1.00 0.00 O ATOM 0 H ASP A 88 -0.785 -4.113 4.654 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.940 -6.490 5.699 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.943 -3.878 6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.483 -3.930 5.587 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.281 -5.002 3.077 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.240 -5.143 1.995 1.00 0.00 C ATOM 1365 C LEU A 89 -4.077 -6.521 1.351 1.00 0.00 C ATOM 1366 O LEU A 89 -5.063 -7.160 0.988 1.00 0.00 O ATOM 1367 CB LEU A 89 -4.107 -3.982 1.007 1.00 0.00 C ATOM 1368 CG LEU A 89 -4.980 -2.757 1.289 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -6.351 -3.173 1.824 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -4.268 -1.783 2.231 1.00 0.00 C ATOM 0 H LEU A 89 -2.651 -4.205 2.987 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.259 -5.089 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.065 -3.664 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.345 -4.351 0.009 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.148 -2.232 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.952 -2.284 2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.855 -3.799 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.225 -3.733 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.909 -0.921 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.051 -2.283 3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.336 -1.451 1.774 1.00 0.00 H new ATOM 1382 N VAL A 90 -2.826 -6.938 1.229 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.521 -8.228 0.635 1.00 0.00 C ATOM 1384 C VAL A 90 -2.921 -9.340 1.608 1.00 0.00 C ATOM 1385 O VAL A 90 -3.572 -10.307 1.216 1.00 0.00 O ATOM 1386 CB VAL A 90 -1.045 -8.285 0.236 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -0.714 -9.611 -0.453 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -0.671 -7.097 -0.652 1.00 0.00 C ATOM 0 H VAL A 90 -2.011 -6.405 1.532 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.097 -8.373 -0.279 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.449 -8.223 1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.341 -9.626 -0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.924 -10.437 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.323 -9.716 -1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.383 -7.162 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.278 -7.114 -1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.851 -6.168 -0.111 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.514 -9.164 2.856 1.00 0.00 N ATOM 1399 CA GLN A 91 -2.822 -10.140 3.888 1.00 0.00 C ATOM 1400 C GLN A 91 -4.337 -10.304 4.028 1.00 0.00 C ATOM 1401 O GLN A 91 -4.880 -11.367 3.729 1.00 0.00 O ATOM 1402 CB GLN A 91 -2.188 -9.746 5.223 1.00 0.00 C ATOM 1403 CG GLN A 91 -0.680 -10.006 5.211 1.00 0.00 C ATOM 1404 CD GLN A 91 -0.218 -10.609 6.540 1.00 0.00 C ATOM 1405 OE1 GLN A 91 -0.963 -10.702 7.502 1.00 0.00 O ATOM 1406 NE2 GLN A 91 1.050 -11.012 6.539 1.00 0.00 N ATOM 0 H GLN A 91 -1.974 -8.360 3.176 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.398 -11.099 3.591 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.377 -8.691 5.423 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.652 -10.312 6.031 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.430 -10.683 4.394 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.148 -9.073 5.026 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.619 -10.905 5.699 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.453 -11.428 7.378 1.00 0.00 H new ATOM 1415 N ASN A 92 -4.976 -9.237 4.482 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.418 -9.249 4.666 1.00 0.00 C ATOM 1417 C ASN A 92 -7.092 -8.699 3.408 1.00 0.00 C ATOM 1418 O ASN A 92 -7.457 -7.525 3.357 1.00 0.00 O ATOM 1419 CB ASN A 92 -6.830 -8.369 5.847 1.00 0.00 C ATOM 1420 CG ASN A 92 -6.665 -9.116 7.172 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -7.268 -10.149 7.411 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -5.815 -8.538 8.016 1.00 0.00 N ATOM 0 H ASN A 92 -4.522 -8.357 4.728 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.725 -10.277 4.859 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.224 -7.463 5.859 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.868 -8.057 5.728 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.635 -8.960 8.927 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.343 -7.673 7.752 1.00 0.00 H new ATOM 1429 N SER A 93 -7.238 -9.572 2.422 1.00 0.00 N ATOM 1430 CA SER A 93 -7.862 -9.188 1.168 1.00 0.00 C ATOM 1431 C SER A 93 -9.286 -8.691 1.423 1.00 0.00 C ATOM 1432 O SER A 93 -10.144 -9.452 1.868 1.00 0.00 O ATOM 1433 CB SER A 93 -7.877 -10.357 0.180 1.00 0.00 C ATOM 1434 OG SER A 93 -6.849 -11.304 0.457 1.00 0.00 O ATOM 0 H SER A 93 -6.934 -10.545 2.467 1.00 0.00 H new ATOM 0 HA SER A 93 -7.276 -8.382 0.727 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.847 -10.853 0.220 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.755 -9.976 -0.834 1.00 0.00 H new ATOM 0 HG SER A 93 -6.893 -12.035 -0.194 1.00 0.00 H new ATOM 1440 N PRO A 94 -9.501 -7.382 1.121 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.806 -6.774 1.313 1.00 0.00 C ATOM 1442 C PRO A 94 -11.784 -7.220 0.225 1.00 0.00 C ATOM 1443 O PRO A 94 -11.373 -7.763 -0.800 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.548 -5.276 1.302 1.00 0.00 C ATOM 1445 CG PRO A 94 -9.190 -5.092 0.643 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.509 -6.450 0.592 1.00 0.00 C ATOM 0 HA PRO A 94 -11.277 -7.077 2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.325 -4.750 0.748 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.549 -4.872 2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.305 -4.685 -0.361 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.585 -4.382 1.207 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -8.223 -6.712 -0.427 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.598 -6.459 1.191 1.00 0.00 H new ATOM 1454 N PRO A 95 -13.094 -6.969 0.491 1.00 0.00 N ATOM 1455 CA PRO A 95 -14.134 -7.339 -0.454 1.00 0.00 C ATOM 1456 C PRO A 95 -14.157 -6.381 -1.647 1.00 0.00 C ATOM 1457 O PRO A 95 -14.629 -6.738 -2.725 1.00 0.00 O ATOM 1458 CB PRO A 95 -15.423 -7.316 0.351 1.00 0.00 C ATOM 1459 CG PRO A 95 -15.126 -6.488 1.591 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.618 -6.328 1.694 1.00 0.00 C ATOM 0 HA PRO A 95 -13.972 -8.323 -0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -16.236 -6.876 -0.227 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.733 -8.326 0.621 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.610 -5.513 1.524 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.520 -6.979 2.481 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.333 -5.277 1.738 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.230 -6.802 2.596 1.00 0.00 H new ATOM 1468 N TRP A 96 -13.641 -5.183 -1.413 1.00 0.00 N ATOM 1469 CA TRP A 96 -13.597 -4.171 -2.455 1.00 0.00 C ATOM 1470 C TRP A 96 -12.397 -4.473 -3.356 1.00 0.00 C ATOM 1471 O TRP A 96 -12.241 -3.863 -4.413 1.00 0.00 O ATOM 1472 CB TRP A 96 -13.554 -2.766 -1.853 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.631 -2.636 -0.640 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.910 -2.906 0.643 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -11.258 -2.191 -0.648 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.823 -2.668 1.458 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.786 -2.219 0.649 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -10.442 -1.777 -1.715 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.483 -1.846 0.999 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -9.142 -1.408 -1.349 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.652 -1.431 -0.048 1.00 0.00 C ATOM 0 H TRP A 96 -13.250 -4.891 -0.517 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.503 -4.200 -3.060 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -13.230 -2.063 -2.620 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.563 -2.476 -1.561 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.866 -3.265 0.994 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.787 -2.798 2.469 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -10.790 -1.746 -2.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.138 -1.877 2.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.473 -1.083 -2.132 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.635 -1.130 0.154 1.00 0.00 H new ATOM 1492 N ILE A 97 -11.580 -5.413 -2.904 1.00 0.00 N ATOM 1493 CA ILE A 97 -10.399 -5.803 -3.656 1.00 0.00 C ATOM 1494 C ILE A 97 -10.661 -7.140 -4.352 1.00 0.00 C ATOM 1495 O ILE A 97 -10.486 -7.257 -5.563 1.00 0.00 O ATOM 1496 CB ILE A 97 -9.166 -5.812 -2.750 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -8.540 -4.419 -2.661 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -8.156 -6.866 -3.209 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -7.232 -4.454 -1.867 1.00 0.00 C ATOM 0 H ILE A 97 -11.712 -5.916 -2.027 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.187 -5.073 -4.437 1.00 0.00 H new ATOM 0 HB ILE A 97 -9.484 -6.087 -1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.350 -4.037 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.240 -3.732 -2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.289 -6.851 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.620 -7.852 -3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.839 -6.646 -4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.808 -3.451 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.429 -4.813 -0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.526 -5.123 -2.359 1.00 0.00 H new ATOM 1511 N LYS A 98 -11.076 -8.114 -3.555 1.00 0.00 N ATOM 1512 CA LYS A 98 -11.363 -9.438 -4.079 1.00 0.00 C ATOM 1513 C LYS A 98 -12.614 -9.992 -3.394 1.00 0.00 C ATOM 1514 O LYS A 98 -12.862 -9.708 -2.224 1.00 0.00 O ATOM 1515 CB LYS A 98 -10.137 -10.344 -3.948 1.00 0.00 C ATOM 1516 CG LYS A 98 -9.234 -10.226 -5.178 1.00 0.00 C ATOM 1517 CD LYS A 98 -7.759 -10.204 -4.774 1.00 0.00 C ATOM 1518 CE LYS A 98 -6.895 -9.604 -5.886 1.00 0.00 C ATOM 1519 NZ LYS A 98 -5.672 -8.992 -5.319 1.00 0.00 N ATOM 0 H LYS A 98 -11.220 -8.012 -2.550 1.00 0.00 H new ATOM 0 HA LYS A 98 -11.579 -9.387 -5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.576 -10.075 -3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -10.457 -11.379 -3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.418 -11.064 -5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.478 -9.317 -5.727 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.637 -9.623 -3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.423 -11.217 -4.554 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.622 -10.380 -6.602 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.465 -8.853 -6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.097 -8.590 -6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.938 -8.238 -4.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.121 -9.718 -4.818 1.00 0.00 H new ATOM 1533 N SER A 99 -13.368 -10.774 -4.153 1.00 0.00 N ATOM 1534 CA SER A 99 -14.587 -11.371 -3.634 1.00 0.00 C ATOM 1535 C SER A 99 -14.673 -12.838 -4.059 1.00 0.00 C ATOM 1536 O SER A 99 -15.270 -13.156 -5.086 1.00 0.00 O ATOM 1537 CB SER A 99 -15.822 -10.606 -4.112 1.00 0.00 C ATOM 1538 OG SER A 99 -16.867 -10.619 -3.143 1.00 0.00 O ATOM 0 H SER A 99 -13.158 -11.008 -5.123 1.00 0.00 H new ATOM 0 HA SER A 99 -14.558 -11.316 -2.546 1.00 0.00 H new ATOM 0 HB2 SER A 99 -15.546 -9.575 -4.334 1.00 0.00 H new ATOM 0 HB3 SER A 99 -16.184 -11.046 -5.041 1.00 0.00 H new ATOM 0 HG SER A 99 -17.637 -10.119 -3.485 1.00 0.00 H new ATOM 1544 N GLY A 100 -14.068 -13.693 -3.247 1.00 0.00 N ATOM 1545 CA GLY A 100 -14.069 -15.119 -3.527 1.00 0.00 C ATOM 1546 C GLY A 100 -12.778 -15.775 -3.034 1.00 0.00 C ATOM 1547 O GLY A 100 -11.777 -15.095 -2.811 1.00 0.00 O ATOM 0 H GLY A 100 -13.574 -13.426 -2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.927 -15.587 -3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.178 -15.283 -4.599 1.00 0.00 H new ATOM 1551 N PRO A 101 -12.844 -17.124 -2.874 1.00 0.00 N ATOM 1552 CA PRO A 101 -11.692 -17.880 -2.412 1.00 0.00 C ATOM 1553 C PRO A 101 -10.651 -18.027 -3.523 1.00 0.00 C ATOM 1554 O PRO A 101 -10.852 -18.787 -4.470 1.00 0.00 O ATOM 1555 CB PRO A 101 -12.257 -19.212 -1.946 1.00 0.00 C ATOM 1556 CG PRO A 101 -13.628 -19.332 -2.591 1.00 0.00 C ATOM 1557 CD PRO A 101 -14.011 -17.963 -3.128 1.00 0.00 C ATOM 0 HA PRO A 101 -11.160 -17.383 -1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.611 -20.037 -2.246 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.332 -19.245 -0.859 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -13.608 -20.066 -3.396 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.363 -19.676 -1.864 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.243 -18.006 -4.192 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -14.896 -17.574 -2.624 1.00 0.00 H new ATOM 1565 N SER A 102 -9.561 -17.289 -3.372 1.00 0.00 N ATOM 1566 CA SER A 102 -8.488 -17.328 -4.351 1.00 0.00 C ATOM 1567 C SER A 102 -7.479 -18.415 -3.978 1.00 0.00 C ATOM 1568 O SER A 102 -7.253 -18.679 -2.798 1.00 0.00 O ATOM 1569 CB SER A 102 -7.791 -15.971 -4.459 1.00 0.00 C ATOM 1570 OG SER A 102 -6.562 -16.057 -5.174 1.00 0.00 O ATOM 0 H SER A 102 -9.398 -16.660 -2.586 1.00 0.00 H new ATOM 0 HA SER A 102 -8.921 -17.562 -5.324 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.452 -15.263 -4.959 1.00 0.00 H new ATOM 0 HB3 SER A 102 -7.602 -15.580 -3.459 1.00 0.00 H new ATOM 0 HG SER A 102 -6.149 -15.170 -5.222 1.00 0.00 H new ATOM 1576 N SER A 103 -6.898 -19.017 -5.005 1.00 0.00 N ATOM 1577 CA SER A 103 -5.918 -20.070 -4.800 1.00 0.00 C ATOM 1578 C SER A 103 -5.372 -20.547 -6.147 1.00 0.00 C ATOM 1579 O SER A 103 -5.922 -20.215 -7.197 1.00 0.00 O ATOM 1580 CB SER A 103 -6.524 -21.244 -4.028 1.00 0.00 C ATOM 1581 OG SER A 103 -6.271 -21.149 -2.628 1.00 0.00 O ATOM 0 H SER A 103 -7.087 -18.795 -5.982 1.00 0.00 H new ATOM 0 HA SER A 103 -5.099 -19.663 -4.207 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.600 -21.275 -4.201 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.113 -22.179 -4.408 1.00 0.00 H new ATOM 0 HG SER A 103 -6.542 -20.264 -2.306 1.00 0.00 H new ATOM 1587 N GLY A 104 -4.297 -21.318 -6.075 1.00 0.00 N ATOM 1588 CA GLY A 104 -3.671 -21.843 -7.276 1.00 0.00 C ATOM 1589 C GLY A 104 -2.372 -21.098 -7.588 1.00 0.00 C ATOM 1590 O GLY A 104 -1.319 -21.716 -7.741 1.00 0.00 O ATOM 0 H GLY A 104 -3.844 -21.592 -5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.463 -22.905 -7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.358 -21.752 -8.118 1.00 0.00 H new TER 1594 GLY A 104