USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1027 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 48 ASN : amide:sc= 0.709 K(o=0.52,f=-0.62) USER MOD Set 1.2: A 50 SER OG : rot -61:sc= 0.401 USER MOD Set 1.3: A 111 HIS : no HD1:sc= -0.592 X(o=0.52,f=0.56) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0712 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 42:sc= 0.441 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0547 K(o=-0.055,f=-0.59!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0893 X(o=-0.089,f=-0.0018) USER MOD Single : A 59 CYS SG : rot 150:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.097) USER MOD Single : A 65 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0917) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -3.5 X(o=-3.5,f=-3.5!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -2.09 X(o=-2.1,f=-2.6!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.536 K(o=-0.54,f=-5.4!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 45:sc= 0.0214 USER MOD Single : A 89 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.6!) USER MOD Single : A 95 ASN :FLIP amide:sc= -2.53! C(o=-4.1!,f=-2.5!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot 27:sc= 0.432 USER MOD Single : A 117 GLN : amide:sc= 0.0352 K(o=0.035,f=-0.68) USER MOD Single : A 123 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.2) USER MOD Single : A 124 ASN : amide:sc= -0.0242 X(o=-0.024,f=-0.39) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.177 -28.844 3.748 1.00 0.00 N ATOM 2 CA GLY A 1 -18.078 -29.782 3.876 1.00 0.00 C ATOM 3 C GLY A 1 -17.054 -29.340 4.902 1.00 0.00 C ATOM 4 O GLY A 1 -17.325 -28.460 5.720 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.073 -29.367 3.677 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.203 -28.224 4.582 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.044 -28.268 2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.470 -30.760 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.590 -29.900 2.908 1.00 0.00 H new ATOM 8 N SER A 2 -15.875 -29.953 4.862 1.00 0.00 N ATOM 9 CA SER A 2 -14.809 -29.621 5.800 1.00 0.00 C ATOM 10 C SER A 2 -14.794 -28.124 6.097 1.00 0.00 C ATOM 11 O SER A 2 -14.885 -27.299 5.189 1.00 0.00 O ATOM 12 CB SER A 2 -13.454 -30.054 5.238 1.00 0.00 C ATOM 13 OG SER A 2 -12.389 -29.529 6.012 1.00 0.00 O ATOM 0 H SER A 2 -15.634 -30.682 4.190 1.00 0.00 H new ATOM 0 HA SER A 2 -14.997 -30.157 6.730 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.394 -31.142 5.222 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.360 -29.715 4.206 1.00 0.00 H new ATOM 0 HG SER A 2 -11.534 -29.822 5.633 1.00 0.00 H new ATOM 19 N SER A 3 -14.678 -27.783 7.377 1.00 0.00 N ATOM 20 CA SER A 3 -14.654 -26.387 7.796 1.00 0.00 C ATOM 21 C SER A 3 -13.534 -26.141 8.802 1.00 0.00 C ATOM 22 O SER A 3 -13.575 -26.635 9.928 1.00 0.00 O ATOM 23 CB SER A 3 -16.000 -25.993 8.408 1.00 0.00 C ATOM 24 OG SER A 3 -16.355 -26.869 9.464 1.00 0.00 O ATOM 0 H SER A 3 -14.599 -28.454 8.141 1.00 0.00 H new ATOM 0 HA SER A 3 -14.469 -25.772 6.915 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.948 -24.970 8.781 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.773 -26.013 7.639 1.00 0.00 H new ATOM 0 HG SER A 3 -15.565 -27.058 10.012 1.00 0.00 H new ATOM 30 N GLY A 4 -12.531 -25.372 8.386 1.00 0.00 N ATOM 31 CA GLY A 4 -11.413 -25.073 9.262 1.00 0.00 C ATOM 32 C GLY A 4 -10.785 -26.323 9.847 1.00 0.00 C ATOM 33 O GLY A 4 -11.274 -27.431 9.630 1.00 0.00 O ATOM 0 H GLY A 4 -12.473 -24.951 7.459 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.658 -24.517 8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.752 -24.427 10.072 1.00 0.00 H new ATOM 37 N SER A 5 -9.698 -26.144 10.591 1.00 0.00 N ATOM 38 CA SER A 5 -8.999 -27.266 11.205 1.00 0.00 C ATOM 39 C SER A 5 -9.267 -27.318 12.706 1.00 0.00 C ATOM 40 O SER A 5 -9.944 -26.450 13.257 1.00 0.00 O ATOM 41 CB SER A 5 -7.494 -27.160 10.947 1.00 0.00 C ATOM 42 OG SER A 5 -7.225 -26.968 9.569 1.00 0.00 O ATOM 0 H SER A 5 -9.283 -25.232 10.783 1.00 0.00 H new ATOM 0 HA SER A 5 -9.374 -28.185 10.755 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.081 -26.330 11.520 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.998 -28.066 11.295 1.00 0.00 H new ATOM 0 HG SER A 5 -6.257 -26.902 9.431 1.00 0.00 H new ATOM 48 N SER A 6 -8.731 -28.342 13.362 1.00 0.00 N ATOM 49 CA SER A 6 -8.915 -28.510 14.799 1.00 0.00 C ATOM 50 C SER A 6 -7.877 -27.707 15.577 1.00 0.00 C ATOM 51 O SER A 6 -6.859 -27.288 15.026 1.00 0.00 O ATOM 52 CB SER A 6 -8.820 -29.990 15.176 1.00 0.00 C ATOM 53 OG SER A 6 -9.284 -30.210 16.497 1.00 0.00 O ATOM 0 H SER A 6 -8.166 -29.068 12.921 1.00 0.00 H new ATOM 0 HA SER A 6 -9.906 -28.139 15.060 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.407 -30.585 14.477 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.786 -30.325 15.090 1.00 0.00 H new ATOM 0 HG SER A 6 -9.215 -31.163 16.714 1.00 0.00 H new ATOM 59 N GLY A 7 -8.143 -27.497 16.862 1.00 0.00 N ATOM 60 CA GLY A 7 -7.224 -26.745 17.697 1.00 0.00 C ATOM 61 C GLY A 7 -7.311 -25.251 17.455 1.00 0.00 C ATOM 62 O GLY A 7 -8.272 -24.750 16.871 1.00 0.00 O ATOM 0 H GLY A 7 -8.979 -27.834 17.340 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.437 -26.953 18.745 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.205 -27.082 17.506 1.00 0.00 H new ATOM 66 N PRO A 8 -6.289 -24.513 17.913 1.00 0.00 N ATOM 67 CA PRO A 8 -6.232 -23.056 17.756 1.00 0.00 C ATOM 68 C PRO A 8 -6.013 -22.638 16.306 1.00 0.00 C ATOM 69 O PRO A 8 -5.606 -23.434 15.460 1.00 0.00 O ATOM 70 CB PRO A 8 -5.031 -22.654 18.616 1.00 0.00 C ATOM 71 CG PRO A 8 -4.171 -23.870 18.658 1.00 0.00 C ATOM 72 CD PRO A 8 -5.110 -25.043 18.619 1.00 0.00 C ATOM 0 HA PRO A 8 -7.165 -22.577 18.052 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.499 -21.808 18.182 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.343 -22.355 19.617 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.484 -23.892 17.812 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.563 -23.887 19.562 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.673 -25.890 18.091 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.363 -25.388 19.621 1.00 0.00 H new ATOM 80 N PRO A 9 -6.288 -21.359 16.011 1.00 0.00 N ATOM 81 CA PRO A 9 -6.127 -20.805 14.663 1.00 0.00 C ATOM 82 C PRO A 9 -4.662 -20.687 14.256 1.00 0.00 C ATOM 83 O PRO A 9 -3.766 -20.586 15.094 1.00 0.00 O ATOM 84 CB PRO A 9 -6.766 -19.419 14.770 1.00 0.00 C ATOM 85 CG PRO A 9 -6.655 -19.061 16.212 1.00 0.00 C ATOM 86 CD PRO A 9 -6.776 -20.354 16.970 1.00 0.00 C ATOM 0 HA PRO A 9 -6.582 -21.441 13.904 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.248 -18.695 14.141 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.806 -19.437 14.445 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.703 -18.574 16.421 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.440 -18.363 16.503 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.177 -20.343 17.881 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.806 -20.550 17.268 1.00 0.00 H new ATOM 94 N PRO A 10 -4.410 -20.699 12.938 1.00 0.00 N ATOM 95 CA PRO A 10 -3.055 -20.592 12.391 1.00 0.00 C ATOM 96 C PRO A 10 -2.455 -19.205 12.592 1.00 0.00 C ATOM 97 O PRO A 10 -3.038 -18.359 13.270 1.00 0.00 O ATOM 98 CB PRO A 10 -3.251 -20.879 10.900 1.00 0.00 C ATOM 99 CG PRO A 10 -4.666 -20.503 10.625 1.00 0.00 C ATOM 100 CD PRO A 10 -5.429 -20.816 11.882 1.00 0.00 C ATOM 0 HA PRO A 10 -2.362 -21.274 12.884 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.561 -20.296 10.290 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.069 -21.929 10.672 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.747 -19.446 10.372 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.061 -21.064 9.778 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.251 -20.117 12.038 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.862 -21.816 11.851 1.00 0.00 H new ATOM 108 N ALA A 11 -1.288 -18.977 11.999 1.00 0.00 N ATOM 109 CA ALA A 11 -0.611 -17.691 12.111 1.00 0.00 C ATOM 110 C ALA A 11 -0.428 -17.046 10.742 1.00 0.00 C ATOM 111 O ALA A 11 0.482 -17.385 9.986 1.00 0.00 O ATOM 112 CB ALA A 11 0.734 -17.861 12.801 1.00 0.00 C ATOM 0 H ALA A 11 -0.791 -19.667 11.435 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.235 -17.031 12.714 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.228 -16.893 12.878 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.581 -18.271 13.799 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.357 -18.542 12.221 1.00 0.00 H new ATOM 118 N PRO A 12 -1.313 -16.093 10.413 1.00 0.00 N ATOM 119 CA PRO A 12 -1.269 -15.380 9.133 1.00 0.00 C ATOM 120 C PRO A 12 -0.072 -14.440 9.033 1.00 0.00 C ATOM 121 O PRO A 12 0.807 -14.446 9.896 1.00 0.00 O ATOM 122 CB PRO A 12 -2.576 -14.583 9.126 1.00 0.00 C ATOM 123 CG PRO A 12 -2.917 -14.402 10.565 1.00 0.00 C ATOM 124 CD PRO A 12 -2.423 -15.637 11.266 1.00 0.00 C ATOM 0 HA PRO A 12 -1.165 -16.063 8.290 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.452 -13.623 8.625 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.364 -15.119 8.597 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.442 -13.508 10.969 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.992 -14.281 10.699 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.087 -15.417 12.279 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.204 -16.393 11.347 1.00 0.00 H new ATOM 132 N ILE A 13 -0.044 -13.635 7.976 1.00 0.00 N ATOM 133 CA ILE A 13 1.045 -12.690 7.766 1.00 0.00 C ATOM 134 C ILE A 13 0.789 -11.382 8.507 1.00 0.00 C ATOM 135 O ILE A 13 -0.135 -10.632 8.192 1.00 0.00 O ATOM 136 CB ILE A 13 1.247 -12.387 6.269 1.00 0.00 C ATOM 137 CG1 ILE A 13 1.369 -13.689 5.475 1.00 0.00 C ATOM 138 CG2 ILE A 13 2.479 -11.518 6.066 1.00 0.00 C ATOM 139 CD1 ILE A 13 1.051 -13.533 4.005 1.00 0.00 C ATOM 0 H ILE A 13 -0.763 -13.619 7.252 1.00 0.00 H new ATOM 0 HA ILE A 13 1.948 -13.157 8.159 1.00 0.00 H new ATOM 0 HB ILE A 13 0.378 -11.841 5.903 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.383 -14.075 5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.698 -14.432 5.906 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.608 -11.313 5.003 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.354 -10.579 6.605 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.358 -12.039 6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.158 -14.496 3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.027 -13.176 3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.738 -12.814 3.558 1.00 0.00 H new ATOM 151 N PRO A 14 1.627 -11.100 9.516 1.00 0.00 N ATOM 152 CA PRO A 14 1.513 -9.881 10.322 1.00 0.00 C ATOM 153 C PRO A 14 1.883 -8.629 9.535 1.00 0.00 C ATOM 154 O PRO A 14 2.611 -8.699 8.545 1.00 0.00 O ATOM 155 CB PRO A 14 2.512 -10.113 11.459 1.00 0.00 C ATOM 156 CG PRO A 14 3.510 -11.066 10.898 1.00 0.00 C ATOM 157 CD PRO A 14 2.750 -11.949 9.947 1.00 0.00 C ATOM 0 HA PRO A 14 0.491 -9.711 10.662 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.985 -9.180 11.767 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.021 -10.527 12.339 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.310 -10.535 10.383 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.976 -11.654 11.689 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.368 -12.257 9.103 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.401 -12.859 10.435 1.00 0.00 H new ATOM 165 N ASP A 15 1.378 -7.484 9.982 1.00 0.00 N ATOM 166 CA ASP A 15 1.657 -6.215 9.320 1.00 0.00 C ATOM 167 C ASP A 15 3.151 -6.060 9.051 1.00 0.00 C ATOM 168 O ASP A 15 3.971 -6.806 9.589 1.00 0.00 O ATOM 169 CB ASP A 15 1.156 -5.049 10.173 1.00 0.00 C ATOM 170 CG ASP A 15 1.934 -4.901 11.466 1.00 0.00 C ATOM 171 OD1 ASP A 15 3.050 -4.342 11.427 1.00 0.00 O ATOM 172 OD2 ASP A 15 1.426 -5.344 12.517 1.00 0.00 O ATOM 0 H ASP A 15 0.773 -7.409 10.800 1.00 0.00 H new ATOM 0 HA ASP A 15 1.131 -6.208 8.365 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.231 -4.125 9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.101 -5.198 10.402 1.00 0.00 H new ATOM 177 N LEU A 16 3.498 -5.087 8.216 1.00 0.00 N ATOM 178 CA LEU A 16 4.894 -4.833 7.874 1.00 0.00 C ATOM 179 C LEU A 16 5.138 -3.344 7.652 1.00 0.00 C ATOM 180 O LEU A 16 4.531 -2.728 6.775 1.00 0.00 O ATOM 181 CB LEU A 16 5.283 -5.619 6.620 1.00 0.00 C ATOM 182 CG LEU A 16 6.769 -5.942 6.466 1.00 0.00 C ATOM 183 CD1 LEU A 16 6.958 -7.195 5.625 1.00 0.00 C ATOM 184 CD2 LEU A 16 7.510 -4.766 5.847 1.00 0.00 C ATOM 0 H LEU A 16 2.832 -4.461 7.763 1.00 0.00 H new ATOM 0 HA LEU A 16 5.513 -5.163 8.708 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.725 -6.556 6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.962 -5.052 5.746 1.00 0.00 H new ATOM 0 HG LEU A 16 7.185 -6.127 7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.022 -7.410 5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.462 -8.036 6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.526 -7.038 4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.566 -5.014 5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.092 -4.549 4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.403 -3.891 6.488 1.00 0.00 H new ATOM 196 N LYS A 17 6.033 -2.771 8.450 1.00 0.00 N ATOM 197 CA LYS A 17 6.362 -1.355 8.339 1.00 0.00 C ATOM 198 C LYS A 17 7.133 -1.075 7.053 1.00 0.00 C ATOM 199 O LYS A 17 8.103 -1.763 6.737 1.00 0.00 O ATOM 200 CB LYS A 17 7.184 -0.906 9.548 1.00 0.00 C ATOM 201 CG LYS A 17 7.800 0.473 9.386 1.00 0.00 C ATOM 202 CD LYS A 17 8.704 0.822 10.557 1.00 0.00 C ATOM 203 CE LYS A 17 10.040 0.101 10.464 1.00 0.00 C ATOM 204 NZ LYS A 17 10.768 0.112 11.763 1.00 0.00 N ATOM 0 H LYS A 17 6.544 -3.266 9.181 1.00 0.00 H new ATOM 0 HA LYS A 17 5.429 -0.791 8.312 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.546 -0.908 10.432 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.978 -1.631 9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.373 0.510 8.459 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.009 1.218 9.301 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.871 1.899 10.580 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.210 0.556 11.491 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.875 -0.929 10.149 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.655 0.574 9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.673 -0.389 11.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.948 1.095 12.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.192 -0.362 12.488 1.00 0.00 H new ATOM 218 N VAL A 18 6.696 -0.058 6.316 1.00 0.00 N ATOM 219 CA VAL A 18 7.347 0.315 5.066 1.00 0.00 C ATOM 220 C VAL A 18 7.818 1.764 5.103 1.00 0.00 C ATOM 221 O VAL A 18 8.765 2.138 4.411 1.00 0.00 O ATOM 222 CB VAL A 18 6.404 0.124 3.863 1.00 0.00 C ATOM 223 CG1 VAL A 18 5.942 -1.322 3.771 1.00 0.00 C ATOM 224 CG2 VAL A 18 5.214 1.067 3.965 1.00 0.00 C ATOM 0 H VAL A 18 5.894 0.522 6.563 1.00 0.00 H new ATOM 0 HA VAL A 18 8.209 -0.342 4.950 1.00 0.00 H new ATOM 0 HB VAL A 18 6.952 0.364 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.277 -1.438 2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.807 -1.973 3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.410 -1.593 4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.558 0.919 3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.664 0.860 4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.567 2.098 3.978 1.00 0.00 H new ATOM 234 N PHE A 19 7.151 2.577 5.916 1.00 0.00 N ATOM 235 CA PHE A 19 7.501 3.987 6.044 1.00 0.00 C ATOM 236 C PHE A 19 7.222 4.491 7.457 1.00 0.00 C ATOM 237 O PHE A 19 6.186 4.179 8.044 1.00 0.00 O ATOM 238 CB PHE A 19 6.720 4.822 5.028 1.00 0.00 C ATOM 239 CG PHE A 19 7.167 6.254 4.959 1.00 0.00 C ATOM 240 CD1 PHE A 19 8.380 6.587 4.377 1.00 0.00 C ATOM 241 CD2 PHE A 19 6.376 7.267 5.475 1.00 0.00 C ATOM 242 CE1 PHE A 19 8.795 7.904 4.311 1.00 0.00 C ATOM 243 CE2 PHE A 19 6.785 8.586 5.412 1.00 0.00 C ATOM 244 CZ PHE A 19 7.997 8.904 4.830 1.00 0.00 C ATOM 0 H PHE A 19 6.365 2.283 6.496 1.00 0.00 H new ATOM 0 HA PHE A 19 8.568 4.091 5.845 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.823 4.370 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.661 4.792 5.283 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.008 5.808 3.970 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.428 7.024 5.932 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.742 8.150 3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.158 9.367 5.817 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.320 9.933 4.781 1.00 0.00 H new ATOM 254 N GLU A 20 8.154 5.270 7.996 1.00 0.00 N ATOM 255 CA GLU A 20 8.008 5.816 9.340 1.00 0.00 C ATOM 256 C GLU A 20 8.413 7.287 9.377 1.00 0.00 C ATOM 257 O GLU A 20 9.564 7.631 9.108 1.00 0.00 O ATOM 258 CB GLU A 20 8.854 5.017 10.334 1.00 0.00 C ATOM 259 CG GLU A 20 8.525 5.311 11.788 1.00 0.00 C ATOM 260 CD GLU A 20 9.538 4.717 12.747 1.00 0.00 C ATOM 261 OE1 GLU A 20 10.553 5.389 13.028 1.00 0.00 O ATOM 262 OE2 GLU A 20 9.318 3.581 13.215 1.00 0.00 O ATOM 0 H GLU A 20 9.017 5.537 7.523 1.00 0.00 H new ATOM 0 HA GLU A 20 6.958 5.739 9.624 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.712 3.953 10.146 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.908 5.234 10.158 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.480 6.390 11.935 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.536 4.916 12.020 1.00 0.00 H new ATOM 269 N ARG A 21 7.459 8.149 9.713 1.00 0.00 N ATOM 270 CA ARG A 21 7.716 9.583 9.783 1.00 0.00 C ATOM 271 C ARG A 21 7.047 10.195 11.011 1.00 0.00 C ATOM 272 O ARG A 21 5.844 10.037 11.217 1.00 0.00 O ATOM 273 CB ARG A 21 7.212 10.276 8.516 1.00 0.00 C ATOM 274 CG ARG A 21 7.785 11.669 8.314 1.00 0.00 C ATOM 275 CD ARG A 21 7.855 12.034 6.840 1.00 0.00 C ATOM 276 NE ARG A 21 8.543 13.304 6.623 1.00 0.00 N ATOM 277 CZ ARG A 21 8.029 14.484 6.950 1.00 0.00 C ATOM 278 NH1 ARG A 21 6.827 14.556 7.506 1.00 0.00 N ATOM 279 NH2 ARG A 21 8.716 15.596 6.721 1.00 0.00 N ATOM 0 H ARG A 21 6.502 7.880 9.941 1.00 0.00 H new ATOM 0 HA ARG A 21 8.793 9.730 9.865 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.462 9.661 7.652 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.125 10.342 8.556 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.169 12.397 8.841 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.783 11.720 8.750 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.372 11.244 6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.846 12.094 6.433 1.00 0.00 H new ATOM 0 HE ARG A 21 9.469 13.283 6.197 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.295 13.704 7.683 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.434 15.464 7.756 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.641 15.545 6.293 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.320 16.501 6.973 1.00 0.00 H new ATOM 293 N GLU A 22 7.836 10.893 11.822 1.00 0.00 N ATOM 294 CA GLU A 22 7.320 11.527 13.030 1.00 0.00 C ATOM 295 C GLU A 22 5.888 12.011 12.820 1.00 0.00 C ATOM 296 O GLU A 22 5.648 12.981 12.102 1.00 0.00 O ATOM 297 CB GLU A 22 8.213 12.700 13.438 1.00 0.00 C ATOM 298 CG GLU A 22 8.308 13.788 12.382 1.00 0.00 C ATOM 299 CD GLU A 22 9.414 14.785 12.669 1.00 0.00 C ATOM 300 OE1 GLU A 22 9.360 15.440 13.731 1.00 0.00 O ATOM 301 OE2 GLU A 22 10.333 14.909 11.833 1.00 0.00 O ATOM 0 H GLU A 22 8.834 11.034 11.665 1.00 0.00 H new ATOM 0 HA GLU A 22 7.321 10.785 13.829 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.829 13.134 14.361 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.214 12.326 13.653 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.481 13.330 11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.356 14.315 12.322 1.00 0.00 H new ATOM 308 N GLY A 23 4.939 11.328 13.453 1.00 0.00 N ATOM 309 CA GLY A 23 3.543 11.703 13.323 1.00 0.00 C ATOM 310 C GLY A 23 2.793 10.815 12.350 1.00 0.00 C ATOM 311 O GLY A 23 1.686 10.361 12.640 1.00 0.00 O ATOM 0 H GLY A 23 5.112 10.522 14.053 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.064 11.652 14.301 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.478 12.739 12.990 1.00 0.00 H new ATOM 315 N VAL A 24 3.395 10.567 11.192 1.00 0.00 N ATOM 316 CA VAL A 24 2.777 9.728 10.172 1.00 0.00 C ATOM 317 C VAL A 24 3.495 8.389 10.053 1.00 0.00 C ATOM 318 O VAL A 24 4.713 8.340 9.881 1.00 0.00 O ATOM 319 CB VAL A 24 2.777 10.423 8.798 1.00 0.00 C ATOM 320 CG1 VAL A 24 2.190 9.506 7.736 1.00 0.00 C ATOM 321 CG2 VAL A 24 2.010 11.735 8.864 1.00 0.00 C ATOM 0 H VAL A 24 4.311 10.935 10.936 1.00 0.00 H new ATOM 0 HA VAL A 24 1.747 9.557 10.484 1.00 0.00 H new ATOM 0 HB VAL A 24 3.808 10.645 8.523 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.198 10.014 6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.786 8.596 7.672 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.165 9.250 8.003 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.021 12.212 7.884 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.980 11.540 9.161 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.479 12.395 9.594 1.00 0.00 H new ATOM 331 N GLN A 25 2.733 7.304 10.145 1.00 0.00 N ATOM 332 CA GLN A 25 3.297 5.963 10.047 1.00 0.00 C ATOM 333 C GLN A 25 2.523 5.119 9.040 1.00 0.00 C ATOM 334 O GLN A 25 1.298 5.009 9.117 1.00 0.00 O ATOM 335 CB GLN A 25 3.288 5.282 11.416 1.00 0.00 C ATOM 336 CG GLN A 25 4.547 5.534 12.230 1.00 0.00 C ATOM 337 CD GLN A 25 4.318 5.389 13.721 1.00 0.00 C ATOM 338 OE1 GLN A 25 3.740 4.402 14.179 1.00 0.00 O ATOM 339 NE2 GLN A 25 4.770 6.373 14.489 1.00 0.00 N ATOM 0 H GLN A 25 1.723 7.327 10.287 1.00 0.00 H new ATOM 0 HA GLN A 25 4.327 6.054 9.701 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.424 5.632 11.981 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.164 4.208 11.277 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.323 4.836 11.916 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.916 6.538 12.019 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.243 7.172 14.068 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.644 6.330 15.500 1.00 0.00 H new ATOM 348 N LEU A 26 3.243 4.523 8.097 1.00 0.00 N ATOM 349 CA LEU A 26 2.624 3.688 7.074 1.00 0.00 C ATOM 350 C LEU A 26 2.816 2.208 7.389 1.00 0.00 C ATOM 351 O LEU A 26 3.929 1.761 7.663 1.00 0.00 O ATOM 352 CB LEU A 26 3.214 4.009 5.699 1.00 0.00 C ATOM 353 CG LEU A 26 2.281 3.807 4.505 1.00 0.00 C ATOM 354 CD1 LEU A 26 1.137 4.808 4.546 1.00 0.00 C ATOM 355 CD2 LEU A 26 3.053 3.930 3.199 1.00 0.00 C ATOM 0 H LEU A 26 4.257 4.602 8.019 1.00 0.00 H new ATOM 0 HA LEU A 26 1.555 3.903 7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.548 5.047 5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.099 3.390 5.552 1.00 0.00 H new ATOM 0 HG LEU A 26 1.860 2.803 4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.483 4.649 3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.568 4.673 5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.538 5.821 4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.373 3.783 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.502 4.921 3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.837 3.174 3.167 1.00 0.00 H new ATOM 367 N ASN A 27 1.723 1.453 7.347 1.00 0.00 N ATOM 368 CA ASN A 27 1.772 0.022 7.627 1.00 0.00 C ATOM 369 C ASN A 27 1.264 -0.783 6.434 1.00 0.00 C ATOM 370 O ASN A 27 0.483 -0.286 5.622 1.00 0.00 O ATOM 371 CB ASN A 27 0.939 -0.304 8.868 1.00 0.00 C ATOM 372 CG ASN A 27 1.590 0.188 10.146 1.00 0.00 C ATOM 373 OD1 ASN A 27 2.584 -0.374 10.606 1.00 0.00 O ATOM 374 ND2 ASN A 27 1.030 1.242 10.727 1.00 0.00 N ATOM 0 H ASN A 27 0.793 1.808 7.122 1.00 0.00 H new ATOM 0 HA ASN A 27 2.811 -0.252 7.812 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.048 0.148 8.769 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.791 -1.382 8.930 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.423 1.617 11.590 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.207 1.676 10.310 1.00 0.00 H new ATOM 381 N LEU A 28 1.713 -2.029 6.335 1.00 0.00 N ATOM 382 CA LEU A 28 1.304 -2.905 5.242 1.00 0.00 C ATOM 383 C LEU A 28 0.718 -4.207 5.778 1.00 0.00 C ATOM 384 O LEU A 28 1.304 -4.852 6.647 1.00 0.00 O ATOM 385 CB LEU A 28 2.495 -3.206 4.331 1.00 0.00 C ATOM 386 CG LEU A 28 2.166 -3.466 2.860 1.00 0.00 C ATOM 387 CD1 LEU A 28 3.422 -3.375 2.008 1.00 0.00 C ATOM 388 CD2 LEU A 28 1.505 -4.826 2.694 1.00 0.00 C ATOM 0 H LEU A 28 2.360 -2.456 6.998 1.00 0.00 H new ATOM 0 HA LEU A 28 0.534 -2.391 4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.189 -2.367 4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.017 -4.078 4.725 1.00 0.00 H new ATOM 0 HG LEU A 28 1.467 -2.701 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.168 -3.563 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.854 -2.379 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.145 -4.118 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.278 -4.994 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.181 -5.605 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.582 -4.855 3.273 1.00 0.00 H new ATOM 400 N SER A 29 -0.442 -4.589 5.252 1.00 0.00 N ATOM 401 CA SER A 29 -1.109 -5.813 5.679 1.00 0.00 C ATOM 402 C SER A 29 -1.438 -6.698 4.480 1.00 0.00 C ATOM 403 O SER A 29 -2.152 -6.285 3.566 1.00 0.00 O ATOM 404 CB SER A 29 -2.388 -5.481 6.448 1.00 0.00 C ATOM 405 OG SER A 29 -2.120 -4.606 7.530 1.00 0.00 O ATOM 0 H SER A 29 -0.939 -4.068 4.529 1.00 0.00 H new ATOM 0 HA SER A 29 -0.430 -6.357 6.336 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.112 -5.021 5.775 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.840 -6.400 6.822 1.00 0.00 H new ATOM 0 HG SER A 29 -2.954 -4.408 8.005 1.00 0.00 H new ATOM 411 N PHE A 30 -0.912 -7.918 4.491 1.00 0.00 N ATOM 412 CA PHE A 30 -1.148 -8.863 3.406 1.00 0.00 C ATOM 413 C PHE A 30 -2.355 -9.746 3.706 1.00 0.00 C ATOM 414 O PHE A 30 -2.691 -9.982 4.867 1.00 0.00 O ATOM 415 CB PHE A 30 0.091 -9.732 3.179 1.00 0.00 C ATOM 416 CG PHE A 30 1.361 -8.943 3.046 1.00 0.00 C ATOM 417 CD1 PHE A 30 2.104 -8.605 4.166 1.00 0.00 C ATOM 418 CD2 PHE A 30 1.813 -8.537 1.800 1.00 0.00 C ATOM 419 CE1 PHE A 30 3.274 -7.878 4.047 1.00 0.00 C ATOM 420 CE2 PHE A 30 2.982 -7.811 1.675 1.00 0.00 C ATOM 421 CZ PHE A 30 3.713 -7.480 2.800 1.00 0.00 C ATOM 0 H PHE A 30 -0.319 -8.276 5.240 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.354 -8.293 2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.192 -10.430 4.010 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.053 -10.328 2.278 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.765 -8.913 5.144 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.245 -8.791 0.917 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.844 -7.622 4.928 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.324 -7.502 0.698 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.626 -6.911 2.704 1.00 0.00 H new ATOM 431 N ILE A 31 -3.003 -10.231 2.652 1.00 0.00 N ATOM 432 CA ILE A 31 -4.172 -11.089 2.803 1.00 0.00 C ATOM 433 C ILE A 31 -4.240 -12.126 1.687 1.00 0.00 C ATOM 434 O ILE A 31 -4.207 -11.784 0.505 1.00 0.00 O ATOM 435 CB ILE A 31 -5.475 -10.268 2.806 1.00 0.00 C ATOM 436 CG1 ILE A 31 -5.580 -9.441 4.089 1.00 0.00 C ATOM 437 CG2 ILE A 31 -6.680 -11.186 2.661 1.00 0.00 C ATOM 438 CD1 ILE A 31 -4.922 -8.083 3.989 1.00 0.00 C ATOM 0 H ILE A 31 -2.738 -10.045 1.685 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.070 -11.597 3.762 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.458 -9.585 1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.632 -9.308 4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.124 -9.997 4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.593 -10.591 2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.608 -11.735 1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.703 -11.891 3.492 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.036 -7.553 4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.862 -8.208 3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.393 -7.508 3.192 1.00 0.00 H new ATOM 450 N ARG A 32 -4.338 -13.394 2.072 1.00 0.00 N ATOM 451 CA ARG A 32 -4.412 -14.482 1.104 1.00 0.00 C ATOM 452 C ARG A 32 -5.711 -15.266 1.265 1.00 0.00 C ATOM 453 O ARG A 32 -5.853 -16.103 2.156 1.00 0.00 O ATOM 454 CB ARG A 32 -3.214 -15.420 1.267 1.00 0.00 C ATOM 455 CG ARG A 32 -1.907 -14.833 0.760 1.00 0.00 C ATOM 456 CD ARG A 32 -0.960 -15.918 0.274 1.00 0.00 C ATOM 457 NE ARG A 32 -0.518 -16.786 1.362 1.00 0.00 N ATOM 458 CZ ARG A 32 0.087 -17.954 1.172 1.00 0.00 C ATOM 459 NH1 ARG A 32 0.321 -18.390 -0.058 1.00 0.00 N ATOM 460 NH2 ARG A 32 0.460 -18.687 2.213 1.00 0.00 N ATOM 0 H ARG A 32 -4.368 -13.693 3.047 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.392 -14.048 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.103 -15.674 2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.416 -16.349 0.734 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.111 -14.136 -0.053 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.430 -14.262 1.557 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.457 -16.517 -0.489 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.092 -15.457 -0.198 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.683 -16.479 2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.037 -17.829 -0.861 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.785 -19.287 -0.201 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.283 -18.354 3.161 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.924 -19.583 2.066 1.00 0.00 H new ATOM 474 N PRO A 33 -6.683 -14.989 0.383 1.00 0.00 N ATOM 475 CA PRO A 33 -7.987 -15.657 0.407 1.00 0.00 C ATOM 476 C PRO A 33 -7.896 -17.122 -0.006 1.00 0.00 C ATOM 477 O PRO A 33 -7.071 -17.509 -0.834 1.00 0.00 O ATOM 478 CB PRO A 33 -8.810 -14.865 -0.612 1.00 0.00 C ATOM 479 CG PRO A 33 -7.802 -14.280 -1.540 1.00 0.00 C ATOM 480 CD PRO A 33 -6.583 -14.003 -0.706 1.00 0.00 C ATOM 0 HA PRO A 33 -8.419 -15.670 1.407 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.510 -15.510 -1.143 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.399 -14.087 -0.126 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.571 -14.971 -2.351 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.178 -13.365 -1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.666 -14.131 -1.281 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.581 -12.982 -0.325 1.00 0.00 H new ATOM 488 N PRO A 34 -8.763 -17.959 0.584 1.00 0.00 N ATOM 489 CA PRO A 34 -8.800 -19.395 0.292 1.00 0.00 C ATOM 490 C PRO A 34 -9.320 -19.688 -1.111 1.00 0.00 C ATOM 491 O PRO A 34 -8.827 -20.588 -1.790 1.00 0.00 O ATOM 492 CB PRO A 34 -9.763 -19.946 1.346 1.00 0.00 C ATOM 493 CG PRO A 34 -10.636 -18.793 1.701 1.00 0.00 C ATOM 494 CD PRO A 34 -9.773 -17.568 1.581 1.00 0.00 C ATOM 0 HA PRO A 34 -7.807 -19.844 0.326 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.347 -20.778 0.952 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.225 -20.318 2.218 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -11.494 -18.733 1.032 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -11.028 -18.897 2.713 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.348 -16.702 1.252 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.315 -17.304 2.534 1.00 0.00 H new ATOM 502 N GLU A 35 -10.320 -18.923 -1.538 1.00 0.00 N ATOM 503 CA GLU A 35 -10.906 -19.102 -2.861 1.00 0.00 C ATOM 504 C GLU A 35 -9.854 -18.925 -3.952 1.00 0.00 C ATOM 505 O GLU A 35 -9.828 -19.670 -4.930 1.00 0.00 O ATOM 506 CB GLU A 35 -12.050 -18.108 -3.075 1.00 0.00 C ATOM 507 CG GLU A 35 -11.597 -16.658 -3.111 1.00 0.00 C ATOM 508 CD GLU A 35 -12.726 -15.703 -3.448 1.00 0.00 C ATOM 509 OE1 GLU A 35 -13.809 -15.827 -2.839 1.00 0.00 O ATOM 510 OE2 GLU A 35 -12.526 -14.831 -4.319 1.00 0.00 O ATOM 0 H GLU A 35 -10.741 -18.174 -0.988 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.299 -20.117 -2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.556 -18.345 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.782 -18.232 -2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.175 -16.389 -2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.801 -16.548 -3.847 1.00 0.00 H new ATOM 517 N ASN A 36 -8.987 -17.933 -3.775 1.00 0.00 N ATOM 518 CA ASN A 36 -7.933 -17.657 -4.744 1.00 0.00 C ATOM 519 C ASN A 36 -6.585 -17.494 -4.049 1.00 0.00 C ATOM 520 O ASN A 36 -6.249 -16.427 -3.534 1.00 0.00 O ATOM 521 CB ASN A 36 -8.264 -16.395 -5.543 1.00 0.00 C ATOM 522 CG ASN A 36 -9.085 -16.695 -6.783 1.00 0.00 C ATOM 523 OD1 ASN A 36 -9.565 -17.813 -6.967 1.00 0.00 O ATOM 524 ND2 ASN A 36 -9.248 -15.694 -7.640 1.00 0.00 N ATOM 0 H ASN A 36 -8.994 -17.307 -2.970 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.870 -18.504 -5.427 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.812 -15.699 -4.908 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.338 -15.899 -5.835 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.790 -15.836 -8.492 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.831 -14.783 -7.446 1.00 0.00 H new ATOM 531 N PRO A 37 -5.792 -18.575 -4.033 1.00 0.00 N ATOM 532 CA PRO A 37 -4.467 -18.577 -3.406 1.00 0.00 C ATOM 533 C PRO A 37 -3.460 -17.729 -4.176 1.00 0.00 C ATOM 534 O PRO A 37 -2.534 -17.167 -3.593 1.00 0.00 O ATOM 535 CB PRO A 37 -4.060 -20.052 -3.439 1.00 0.00 C ATOM 536 CG PRO A 37 -4.825 -20.630 -4.580 1.00 0.00 C ATOM 537 CD PRO A 37 -6.128 -19.880 -4.627 1.00 0.00 C ATOM 0 HA PRO A 37 -4.490 -18.150 -2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.986 -20.163 -3.586 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.307 -20.552 -2.503 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.276 -20.517 -5.515 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.994 -21.697 -4.436 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.494 -19.774 -5.648 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.906 -20.391 -4.060 1.00 0.00 H new ATOM 545 N ALA A 38 -3.648 -17.642 -5.488 1.00 0.00 N ATOM 546 CA ALA A 38 -2.758 -16.860 -6.337 1.00 0.00 C ATOM 547 C ALA A 38 -3.062 -15.370 -6.227 1.00 0.00 C ATOM 548 O ALA A 38 -2.296 -14.532 -6.705 1.00 0.00 O ATOM 549 CB ALA A 38 -2.871 -17.318 -7.784 1.00 0.00 C ATOM 0 H ALA A 38 -4.409 -18.103 -5.987 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.736 -17.022 -5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.201 -16.725 -8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.596 -18.370 -7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.897 -17.187 -8.128 1.00 0.00 H new ATOM 555 N LEU A 39 -4.184 -15.045 -5.594 1.00 0.00 N ATOM 556 CA LEU A 39 -4.590 -13.654 -5.422 1.00 0.00 C ATOM 557 C LEU A 39 -4.048 -13.088 -4.113 1.00 0.00 C ATOM 558 O LEU A 39 -4.338 -13.604 -3.033 1.00 0.00 O ATOM 559 CB LEU A 39 -6.115 -13.541 -5.447 1.00 0.00 C ATOM 560 CG LEU A 39 -6.686 -12.132 -5.279 1.00 0.00 C ATOM 561 CD1 LEU A 39 -6.633 -11.374 -6.597 1.00 0.00 C ATOM 562 CD2 LEU A 39 -8.113 -12.195 -4.755 1.00 0.00 C ATOM 0 H LEU A 39 -4.829 -15.725 -5.191 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.176 -13.075 -6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.474 -13.947 -6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.519 -14.172 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.076 -11.597 -4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.043 -10.374 -6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.599 -11.299 -6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.219 -11.906 -7.346 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.504 -11.184 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.735 -12.747 -5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.124 -12.699 -3.789 1.00 0.00 H new ATOM 574 N LEU A 40 -3.262 -12.022 -4.217 1.00 0.00 N ATOM 575 CA LEU A 40 -2.681 -11.382 -3.041 1.00 0.00 C ATOM 576 C LEU A 40 -3.303 -10.010 -2.805 1.00 0.00 C ATOM 577 O LEU A 40 -3.034 -9.059 -3.540 1.00 0.00 O ATOM 578 CB LEU A 40 -1.166 -11.247 -3.207 1.00 0.00 C ATOM 579 CG LEU A 40 -0.419 -10.602 -2.039 1.00 0.00 C ATOM 580 CD1 LEU A 40 -0.600 -11.422 -0.771 1.00 0.00 C ATOM 581 CD2 LEU A 40 1.058 -10.448 -2.371 1.00 0.00 C ATOM 0 H LEU A 40 -3.012 -11.583 -5.103 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.891 -12.009 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.749 -12.240 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.969 -10.662 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.838 -9.610 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.061 -10.947 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.660 -11.480 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.209 -12.427 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.574 -9.987 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.491 -11.429 -2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.169 -9.818 -3.253 1.00 0.00 H new ATOM 593 N LEU A 41 -4.135 -9.913 -1.774 1.00 0.00 N ATOM 594 CA LEU A 41 -4.794 -8.655 -1.438 1.00 0.00 C ATOM 595 C LEU A 41 -3.973 -7.864 -0.425 1.00 0.00 C ATOM 596 O LEU A 41 -3.779 -8.302 0.709 1.00 0.00 O ATOM 597 CB LEU A 41 -6.193 -8.923 -0.880 1.00 0.00 C ATOM 598 CG LEU A 41 -7.111 -9.779 -1.754 1.00 0.00 C ATOM 599 CD1 LEU A 41 -8.291 -10.294 -0.944 1.00 0.00 C ATOM 600 CD2 LEU A 41 -7.596 -8.983 -2.957 1.00 0.00 C ATOM 0 H LEU A 41 -4.370 -10.690 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.880 -8.063 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.089 -9.411 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.682 -7.965 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.542 -10.636 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.933 -10.901 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.926 -10.900 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.860 -9.450 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.248 -9.608 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.148 -8.107 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.740 -8.663 -3.551 1.00 0.00 H new ATOM 612 N ILE A 42 -3.496 -6.696 -0.841 1.00 0.00 N ATOM 613 CA ILE A 42 -2.700 -5.842 0.032 1.00 0.00 C ATOM 614 C ILE A 42 -3.493 -4.617 0.475 1.00 0.00 C ATOM 615 O ILE A 42 -4.313 -4.088 -0.276 1.00 0.00 O ATOM 616 CB ILE A 42 -1.406 -5.378 -0.663 1.00 0.00 C ATOM 617 CG1 ILE A 42 -0.445 -6.556 -0.839 1.00 0.00 C ATOM 618 CG2 ILE A 42 -0.746 -4.264 0.136 1.00 0.00 C ATOM 619 CD1 ILE A 42 0.728 -6.249 -1.743 1.00 0.00 C ATOM 0 H ILE A 42 -3.647 -6.319 -1.777 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.440 -6.439 0.906 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.660 -4.990 -1.649 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.070 -6.858 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.994 -7.405 -1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.167 -3.947 -0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.430 -3.419 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.502 -4.628 1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.367 -7.129 -1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.363 -5.976 -2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.301 -5.421 -1.327 1.00 0.00 H new ATOM 631 N THR A 43 -3.242 -4.169 1.701 1.00 0.00 N ATOM 632 CA THR A 43 -3.931 -3.005 2.245 1.00 0.00 C ATOM 633 C THR A 43 -2.951 -2.050 2.917 1.00 0.00 C ATOM 634 O THR A 43 -1.898 -2.465 3.400 1.00 0.00 O ATOM 635 CB THR A 43 -5.009 -3.418 3.266 1.00 0.00 C ATOM 636 OG1 THR A 43 -5.778 -4.510 2.751 1.00 0.00 O ATOM 637 CG2 THR A 43 -5.929 -2.248 3.583 1.00 0.00 C ATOM 0 H THR A 43 -2.567 -4.594 2.336 1.00 0.00 H new ATOM 0 HA THR A 43 -4.409 -2.499 1.406 1.00 0.00 H new ATOM 0 HB THR A 43 -4.510 -3.727 4.184 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.460 -4.768 3.406 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.682 -2.563 4.306 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.345 -1.429 4.001 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.420 -1.914 2.669 1.00 0.00 H new ATOM 645 N ILE A 44 -3.305 -0.770 2.944 1.00 0.00 N ATOM 646 CA ILE A 44 -2.457 0.244 3.558 1.00 0.00 C ATOM 647 C ILE A 44 -3.159 0.907 4.738 1.00 0.00 C ATOM 648 O ILE A 44 -4.384 1.038 4.753 1.00 0.00 O ATOM 649 CB ILE A 44 -2.049 1.328 2.543 1.00 0.00 C ATOM 650 CG1 ILE A 44 -1.975 0.736 1.134 1.00 0.00 C ATOM 651 CG2 ILE A 44 -0.715 1.946 2.934 1.00 0.00 C ATOM 652 CD1 ILE A 44 -1.563 1.737 0.078 1.00 0.00 C ATOM 0 H ILE A 44 -4.173 -0.410 2.548 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.561 -0.267 3.911 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.806 2.112 2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.267 -0.092 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.949 0.323 0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.441 2.710 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.799 2.399 3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.052 1.172 2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.532 1.247 -0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.284 2.554 0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.576 2.132 0.317 1.00 0.00 H new ATOM 664 N THR A 45 -2.375 1.327 5.727 1.00 0.00 N ATOM 665 CA THR A 45 -2.921 1.978 6.911 1.00 0.00 C ATOM 666 C THR A 45 -2.139 3.241 7.254 1.00 0.00 C ATOM 667 O THR A 45 -1.182 3.199 8.026 1.00 0.00 O ATOM 668 CB THR A 45 -2.908 1.033 8.128 1.00 0.00 C ATOM 669 OG1 THR A 45 -3.577 -0.191 7.805 1.00 0.00 O ATOM 670 CG2 THR A 45 -3.581 1.684 9.326 1.00 0.00 C ATOM 0 H THR A 45 -1.360 1.228 5.731 1.00 0.00 H new ATOM 0 HA THR A 45 -3.952 2.244 6.678 1.00 0.00 H new ATOM 0 HB THR A 45 -1.870 0.822 8.385 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.563 -0.787 8.583 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.560 0.998 10.173 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.051 2.600 9.588 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.615 1.922 9.078 1.00 0.00 H new ATOM 678 N ALA A 46 -2.554 4.363 6.676 1.00 0.00 N ATOM 679 CA ALA A 46 -1.894 5.639 6.923 1.00 0.00 C ATOM 680 C ALA A 46 -2.538 6.372 8.094 1.00 0.00 C ATOM 681 O ALA A 46 -3.679 6.827 8.005 1.00 0.00 O ATOM 682 CB ALA A 46 -1.931 6.504 5.672 1.00 0.00 C ATOM 0 H ALA A 46 -3.344 4.414 6.033 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.854 5.438 7.181 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.435 7.454 5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.418 5.990 4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.967 6.689 5.388 1.00 0.00 H new ATOM 688 N THR A 47 -1.800 6.484 9.195 1.00 0.00 N ATOM 689 CA THR A 47 -2.300 7.161 10.385 1.00 0.00 C ATOM 690 C THR A 47 -1.540 8.458 10.640 1.00 0.00 C ATOM 691 O THR A 47 -0.326 8.524 10.453 1.00 0.00 O ATOM 692 CB THR A 47 -2.190 6.262 11.630 1.00 0.00 C ATOM 693 OG1 THR A 47 -0.877 5.696 11.712 1.00 0.00 O ATOM 694 CG2 THR A 47 -3.226 5.148 11.587 1.00 0.00 C ATOM 0 H THR A 47 -0.854 6.114 9.287 1.00 0.00 H new ATOM 0 HA THR A 47 -3.350 7.388 10.202 1.00 0.00 H new ATOM 0 HB THR A 47 -2.376 6.876 12.511 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.815 5.127 12.508 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.129 4.526 12.477 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.225 5.582 11.555 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.067 4.537 10.698 1.00 0.00 H new ATOM 702 N ASN A 48 -2.263 9.487 11.068 1.00 0.00 N ATOM 703 CA ASN A 48 -1.656 10.783 11.350 1.00 0.00 C ATOM 704 C ASN A 48 -1.906 11.199 12.796 1.00 0.00 C ATOM 705 O ASN A 48 -2.998 11.002 13.330 1.00 0.00 O ATOM 706 CB ASN A 48 -2.211 11.846 10.399 1.00 0.00 C ATOM 707 CG ASN A 48 -1.447 13.154 10.485 1.00 0.00 C ATOM 708 OD1 ASN A 48 -0.236 13.164 10.708 1.00 0.00 O ATOM 709 ND2 ASN A 48 -2.153 14.264 10.308 1.00 0.00 N ATOM 0 H ASN A 48 -3.270 9.449 11.227 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.580 10.693 11.198 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.171 11.471 9.376 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.261 12.025 10.632 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.694 15.173 10.354 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.155 14.207 10.126 1.00 0.00 H new ATOM 716 N PHE A 49 -0.887 11.775 13.425 1.00 0.00 N ATOM 717 CA PHE A 49 -0.996 12.218 14.810 1.00 0.00 C ATOM 718 C PHE A 49 -0.514 13.659 14.959 1.00 0.00 C ATOM 719 O PHE A 49 -1.011 14.406 15.802 1.00 0.00 O ATOM 720 CB PHE A 49 -0.185 11.300 15.727 1.00 0.00 C ATOM 721 CG PHE A 49 -0.776 9.927 15.874 1.00 0.00 C ATOM 722 CD1 PHE A 49 -1.904 9.724 16.652 1.00 0.00 C ATOM 723 CD2 PHE A 49 -0.203 8.840 15.234 1.00 0.00 C ATOM 724 CE1 PHE A 49 -2.449 8.461 16.790 1.00 0.00 C ATOM 725 CE2 PHE A 49 -0.744 7.575 15.368 1.00 0.00 C ATOM 726 CZ PHE A 49 -1.869 7.385 16.146 1.00 0.00 C ATOM 0 H PHE A 49 0.023 11.946 12.998 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.046 12.172 15.099 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.828 11.211 15.335 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.106 11.761 16.712 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.363 10.562 17.156 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.676 8.983 14.623 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.328 8.316 17.401 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.287 6.736 14.865 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.294 6.398 16.251 1.00 0.00 H new ATOM 736 N SER A 50 0.457 14.040 14.136 1.00 0.00 N ATOM 737 CA SER A 50 1.010 15.389 14.178 1.00 0.00 C ATOM 738 C SER A 50 -0.103 16.433 14.155 1.00 0.00 C ATOM 739 O SER A 50 -1.262 16.113 13.896 1.00 0.00 O ATOM 740 CB SER A 50 1.959 15.611 12.999 1.00 0.00 C ATOM 741 OG SER A 50 1.278 15.472 11.764 1.00 0.00 O ATOM 0 H SER A 50 0.877 13.434 13.432 1.00 0.00 H new ATOM 0 HA SER A 50 1.567 15.498 15.108 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.400 16.606 13.065 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.779 14.895 13.048 1.00 0.00 H new ATOM 0 HG SER A 50 0.915 14.565 11.691 1.00 0.00 H new ATOM 747 N GLU A 51 0.261 17.682 14.427 1.00 0.00 N ATOM 748 CA GLU A 51 -0.706 18.773 14.437 1.00 0.00 C ATOM 749 C GLU A 51 -0.901 19.341 13.035 1.00 0.00 C ATOM 750 O GLU A 51 -1.148 20.534 12.865 1.00 0.00 O ATOM 751 CB GLU A 51 -0.248 19.881 15.389 1.00 0.00 C ATOM 752 CG GLU A 51 0.483 19.365 16.617 1.00 0.00 C ATOM 753 CD GLU A 51 0.592 20.408 17.712 1.00 0.00 C ATOM 754 OE1 GLU A 51 1.139 21.498 17.439 1.00 0.00 O ATOM 755 OE2 GLU A 51 0.132 20.135 18.840 1.00 0.00 O ATOM 0 H GLU A 51 1.217 17.963 14.643 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.660 18.376 14.785 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.406 20.566 14.848 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.117 20.456 15.709 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.038 18.490 17.005 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.483 19.039 16.330 1.00 0.00 H new ATOM 762 N GLY A 52 -0.789 18.476 12.031 1.00 0.00 N ATOM 763 CA GLY A 52 -0.955 18.909 10.656 1.00 0.00 C ATOM 764 C GLY A 52 -1.856 17.985 9.862 1.00 0.00 C ATOM 765 O GLY A 52 -1.408 16.959 9.349 1.00 0.00 O ATOM 0 H GLY A 52 -0.586 17.483 12.146 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.371 19.916 10.643 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.021 18.961 10.174 1.00 0.00 H new ATOM 769 N ASP A 53 -3.130 18.346 9.761 1.00 0.00 N ATOM 770 CA ASP A 53 -4.097 17.541 9.024 1.00 0.00 C ATOM 771 C ASP A 53 -3.660 17.359 7.574 1.00 0.00 C ATOM 772 O ASP A 53 -3.160 18.290 6.943 1.00 0.00 O ATOM 773 CB ASP A 53 -5.480 18.194 9.074 1.00 0.00 C ATOM 774 CG ASP A 53 -5.815 18.735 10.450 1.00 0.00 C ATOM 775 OD1 ASP A 53 -5.197 19.741 10.859 1.00 0.00 O ATOM 776 OD2 ASP A 53 -6.695 18.154 11.118 1.00 0.00 O ATOM 0 H ASP A 53 -3.518 19.191 10.180 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.149 16.559 9.495 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.522 19.006 8.348 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.234 17.464 8.780 1.00 0.00 H new ATOM 781 N VAL A 54 -3.851 16.151 7.051 1.00 0.00 N ATOM 782 CA VAL A 54 -3.476 15.846 5.676 1.00 0.00 C ATOM 783 C VAL A 54 -4.709 15.638 4.804 1.00 0.00 C ATOM 784 O VAL A 54 -5.718 15.095 5.254 1.00 0.00 O ATOM 785 CB VAL A 54 -2.590 14.589 5.601 1.00 0.00 C ATOM 786 CG1 VAL A 54 -2.325 14.207 4.153 1.00 0.00 C ATOM 787 CG2 VAL A 54 -1.284 14.812 6.350 1.00 0.00 C ATOM 0 H VAL A 54 -4.263 15.369 7.559 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.912 16.701 5.305 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.120 13.764 6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.697 13.317 4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.271 14.002 3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.817 15.028 3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.670 13.913 6.287 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.748 15.650 5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.497 15.032 7.396 1.00 0.00 H new ATOM 797 N THR A 55 -4.621 16.073 3.550 1.00 0.00 N ATOM 798 CA THR A 55 -5.730 15.935 2.614 1.00 0.00 C ATOM 799 C THR A 55 -5.225 15.660 1.202 1.00 0.00 C ATOM 800 O THR A 55 -4.019 15.646 0.954 1.00 0.00 O ATOM 801 CB THR A 55 -6.610 17.199 2.595 1.00 0.00 C ATOM 802 OG1 THR A 55 -5.818 18.342 2.252 1.00 0.00 O ATOM 803 CG2 THR A 55 -7.269 17.420 3.949 1.00 0.00 C ATOM 0 H THR A 55 -3.793 16.524 3.160 1.00 0.00 H new ATOM 0 HA THR A 55 -6.329 15.090 2.955 1.00 0.00 H new ATOM 0 HB THR A 55 -7.391 17.061 1.847 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.385 19.141 2.240 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.885 18.318 3.911 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.894 16.561 4.194 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.500 17.539 4.713 1.00 0.00 H new ATOM 811 N HIS A 56 -6.156 15.441 0.278 1.00 0.00 N ATOM 812 CA HIS A 56 -5.805 15.167 -1.111 1.00 0.00 C ATOM 813 C HIS A 56 -4.662 14.159 -1.194 1.00 0.00 C ATOM 814 O HIS A 56 -3.735 14.321 -1.988 1.00 0.00 O ATOM 815 CB HIS A 56 -5.413 16.461 -1.824 1.00 0.00 C ATOM 816 CG HIS A 56 -5.606 16.408 -3.309 1.00 0.00 C ATOM 817 ND1 HIS A 56 -4.647 16.825 -4.207 1.00 0.00 N ATOM 818 CD2 HIS A 56 -6.655 15.982 -4.051 1.00 0.00 C ATOM 819 CE1 HIS A 56 -5.098 16.660 -5.438 1.00 0.00 C ATOM 820 NE2 HIS A 56 -6.315 16.149 -5.370 1.00 0.00 N ATOM 0 H HIS A 56 -7.158 15.448 0.466 1.00 0.00 H new ATOM 0 HA HIS A 56 -6.678 14.740 -1.604 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.003 17.283 -1.418 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.368 16.682 -1.609 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -7.586 15.585 -3.675 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -4.563 16.901 -6.345 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -6.906 15.916 -6.168 1.00 0.00 H new ATOM 828 N PHE A 57 -4.734 13.120 -0.368 1.00 0.00 N ATOM 829 CA PHE A 57 -3.705 12.088 -0.347 1.00 0.00 C ATOM 830 C PHE A 57 -3.890 11.112 -1.506 1.00 0.00 C ATOM 831 O PHE A 57 -5.008 10.689 -1.803 1.00 0.00 O ATOM 832 CB PHE A 57 -3.739 11.331 0.982 1.00 0.00 C ATOM 833 CG PHE A 57 -2.840 10.128 1.010 1.00 0.00 C ATOM 834 CD1 PHE A 57 -1.589 10.167 0.415 1.00 0.00 C ATOM 835 CD2 PHE A 57 -3.247 8.957 1.630 1.00 0.00 C ATOM 836 CE1 PHE A 57 -0.760 9.061 0.439 1.00 0.00 C ATOM 837 CE2 PHE A 57 -2.422 7.849 1.658 1.00 0.00 C ATOM 838 CZ PHE A 57 -1.177 7.901 1.061 1.00 0.00 C ATOM 0 H PHE A 57 -5.494 12.971 0.295 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.736 12.574 -0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.450 12.009 1.785 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -4.762 11.015 1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.258 11.072 -0.073 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.220 8.910 2.096 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.213 9.104 -0.028 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.750 6.943 2.146 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.531 7.036 1.081 1.00 0.00 H new ATOM 848 N ILE A 58 -2.786 10.760 -2.156 1.00 0.00 N ATOM 849 CA ILE A 58 -2.826 9.834 -3.282 1.00 0.00 C ATOM 850 C ILE A 58 -1.653 8.861 -3.235 1.00 0.00 C ATOM 851 O ILE A 58 -0.492 9.268 -3.301 1.00 0.00 O ATOM 852 CB ILE A 58 -2.804 10.582 -4.627 1.00 0.00 C ATOM 853 CG1 ILE A 58 -4.059 11.444 -4.777 1.00 0.00 C ATOM 854 CG2 ILE A 58 -2.692 9.596 -5.780 1.00 0.00 C ATOM 855 CD1 ILE A 58 -4.031 12.348 -5.990 1.00 0.00 C ATOM 0 H ILE A 58 -1.854 11.101 -1.923 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.760 9.278 -3.200 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.932 11.236 -4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.931 10.793 -4.839 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.180 12.054 -3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.678 10.140 -6.724 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.772 9.021 -5.679 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.546 8.919 -5.764 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.952 12.929 -6.032 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.179 13.024 -5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.942 11.743 -6.892 1.00 0.00 H new ATOM 867 N CYS A 59 -1.963 7.574 -3.121 1.00 0.00 N ATOM 868 CA CYS A 59 -0.934 6.542 -3.066 1.00 0.00 C ATOM 869 C CYS A 59 -0.886 5.752 -4.371 1.00 0.00 C ATOM 870 O CYS A 59 -1.847 5.073 -4.731 1.00 0.00 O ATOM 871 CB CYS A 59 -1.193 5.596 -1.893 1.00 0.00 C ATOM 872 SG CYS A 59 0.090 4.344 -1.657 1.00 0.00 S ATOM 0 H CYS A 59 -2.918 7.221 -3.065 1.00 0.00 H new ATOM 0 HA CYS A 59 0.029 7.032 -2.923 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.284 6.184 -0.980 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.149 5.096 -2.048 1.00 0.00 H new ATOM 0 HG CYS A 59 0.168 4.035 -0.397 1.00 0.00 H new ATOM 878 N GLN A 60 0.238 5.848 -5.074 1.00 0.00 N ATOM 879 CA GLN A 60 0.409 5.145 -6.339 1.00 0.00 C ATOM 880 C GLN A 60 1.368 3.969 -6.183 1.00 0.00 C ATOM 881 O GLN A 60 2.221 3.965 -5.296 1.00 0.00 O ATOM 882 CB GLN A 60 0.928 6.102 -7.413 1.00 0.00 C ATOM 883 CG GLN A 60 -0.039 7.227 -7.744 1.00 0.00 C ATOM 884 CD GLN A 60 -1.308 6.729 -8.409 1.00 0.00 C ATOM 885 OE1 GLN A 60 -1.415 6.714 -9.635 1.00 0.00 O ATOM 886 NE2 GLN A 60 -2.278 6.318 -7.600 1.00 0.00 N ATOM 0 H GLN A 60 1.043 6.406 -4.789 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.563 4.759 -6.645 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.872 6.532 -7.079 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.139 5.536 -8.321 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.298 7.760 -6.829 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.454 7.943 -8.401 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.146 6.348 -6.589 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.155 5.972 -7.990 1.00 0.00 H new ATOM 895 N ALA A 61 1.222 2.973 -7.050 1.00 0.00 N ATOM 896 CA ALA A 61 2.076 1.792 -7.010 1.00 0.00 C ATOM 897 C ALA A 61 2.337 1.255 -8.413 1.00 0.00 C ATOM 898 O ALA A 61 1.675 1.650 -9.372 1.00 0.00 O ATOM 899 CB ALA A 61 1.446 0.715 -6.139 1.00 0.00 C ATOM 0 H ALA A 61 0.520 2.960 -7.790 1.00 0.00 H new ATOM 0 HA ALA A 61 3.033 2.081 -6.576 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.094 -0.161 -6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.317 1.096 -5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.475 0.438 -6.549 1.00 0.00 H new ATOM 905 N ALA A 62 3.308 0.354 -8.525 1.00 0.00 N ATOM 906 CA ALA A 62 3.656 -0.237 -9.810 1.00 0.00 C ATOM 907 C ALA A 62 4.235 -1.637 -9.632 1.00 0.00 C ATOM 908 O ALA A 62 5.270 -1.814 -8.989 1.00 0.00 O ATOM 909 CB ALA A 62 4.643 0.653 -10.551 1.00 0.00 C ATOM 0 H ALA A 62 3.867 0.018 -7.741 1.00 0.00 H new ATOM 0 HA ALA A 62 2.744 -0.321 -10.401 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.894 0.199 -11.509 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.194 1.632 -10.720 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.549 0.767 -9.955 1.00 0.00 H new ATOM 915 N VAL A 63 3.560 -2.629 -10.205 1.00 0.00 N ATOM 916 CA VAL A 63 4.008 -4.013 -10.109 1.00 0.00 C ATOM 917 C VAL A 63 4.571 -4.502 -11.439 1.00 0.00 C ATOM 918 O VAL A 63 4.180 -4.043 -12.513 1.00 0.00 O ATOM 919 CB VAL A 63 2.861 -4.945 -9.676 1.00 0.00 C ATOM 920 CG1 VAL A 63 2.271 -4.486 -8.351 1.00 0.00 C ATOM 921 CG2 VAL A 63 1.789 -5.006 -10.753 1.00 0.00 C ATOM 0 H VAL A 63 2.701 -2.500 -10.740 1.00 0.00 H new ATOM 0 HA VAL A 63 4.793 -4.040 -9.354 1.00 0.00 H new ATOM 0 HB VAL A 63 3.264 -5.949 -9.539 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.462 -5.157 -8.061 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.045 -4.499 -7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.882 -3.473 -8.457 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.986 -5.669 -10.430 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.388 -4.007 -10.924 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.223 -5.386 -11.678 1.00 0.00 H new ATOM 931 N PRO A 64 5.510 -5.457 -11.369 1.00 0.00 N ATOM 932 CA PRO A 64 6.146 -6.030 -12.558 1.00 0.00 C ATOM 933 C PRO A 64 5.187 -6.896 -13.368 1.00 0.00 C ATOM 934 O PRO A 64 4.273 -7.509 -12.818 1.00 0.00 O ATOM 935 CB PRO A 64 7.278 -6.883 -11.979 1.00 0.00 C ATOM 936 CG PRO A 64 6.825 -7.228 -10.603 1.00 0.00 C ATOM 937 CD PRO A 64 6.023 -6.050 -10.123 1.00 0.00 C ATOM 0 HA PRO A 64 6.486 -5.259 -13.250 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.445 -7.779 -12.577 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.219 -6.333 -11.960 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.221 -8.135 -10.607 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.676 -7.414 -9.947 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.213 -6.358 -9.461 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.639 -5.344 -9.566 1.00 0.00 H new ATOM 945 N LYS A 65 5.402 -6.942 -14.679 1.00 0.00 N ATOM 946 CA LYS A 65 4.558 -7.734 -15.565 1.00 0.00 C ATOM 947 C LYS A 65 4.143 -9.041 -14.897 1.00 0.00 C ATOM 948 O LYS A 65 2.967 -9.403 -14.897 1.00 0.00 O ATOM 949 CB LYS A 65 5.295 -8.030 -16.874 1.00 0.00 C ATOM 950 CG LYS A 65 6.730 -8.487 -16.675 1.00 0.00 C ATOM 951 CD LYS A 65 7.614 -8.068 -17.837 1.00 0.00 C ATOM 952 CE LYS A 65 7.606 -9.107 -18.948 1.00 0.00 C ATOM 953 NZ LYS A 65 6.440 -8.936 -19.858 1.00 0.00 N ATOM 0 H LYS A 65 6.154 -6.440 -15.151 1.00 0.00 H new ATOM 0 HA LYS A 65 3.660 -7.156 -15.782 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.750 -8.799 -17.422 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.291 -7.134 -17.494 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.122 -8.067 -15.749 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.756 -9.572 -16.569 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.270 -7.111 -18.230 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.634 -7.920 -17.484 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.529 -9.032 -19.522 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.583 -10.105 -18.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.889 -9.817 -19.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.839 -8.162 -19.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.777 -8.709 -20.815 1.00 0.00 H new ATOM 967 N SER A 66 5.117 -9.745 -14.327 1.00 0.00 N ATOM 968 CA SER A 66 4.852 -11.012 -13.657 1.00 0.00 C ATOM 969 C SER A 66 3.600 -10.918 -12.791 1.00 0.00 C ATOM 970 O SER A 66 2.737 -11.797 -12.828 1.00 0.00 O ATOM 971 CB SER A 66 6.051 -11.420 -12.798 1.00 0.00 C ATOM 972 OG SER A 66 7.182 -11.703 -13.603 1.00 0.00 O ATOM 0 H SER A 66 6.096 -9.459 -14.316 1.00 0.00 H new ATOM 0 HA SER A 66 4.687 -11.771 -14.422 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.290 -10.619 -12.098 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.795 -12.297 -12.204 1.00 0.00 H new ATOM 0 HG SER A 66 7.935 -11.959 -13.031 1.00 0.00 H new ATOM 978 N LEU A 67 3.507 -9.846 -12.012 1.00 0.00 N ATOM 979 CA LEU A 67 2.360 -9.635 -11.135 1.00 0.00 C ATOM 980 C LEU A 67 1.451 -8.539 -11.681 1.00 0.00 C ATOM 981 O LEU A 67 1.890 -7.681 -12.446 1.00 0.00 O ATOM 982 CB LEU A 67 2.831 -9.268 -9.726 1.00 0.00 C ATOM 983 CG LEU A 67 4.042 -10.040 -9.201 1.00 0.00 C ATOM 984 CD1 LEU A 67 4.691 -9.293 -8.046 1.00 0.00 C ATOM 985 CD2 LEU A 67 3.636 -11.442 -8.771 1.00 0.00 C ATOM 0 H LEU A 67 4.211 -9.110 -11.970 1.00 0.00 H new ATOM 0 HA LEU A 67 1.792 -10.564 -11.091 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.068 -8.204 -9.709 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.001 -9.420 -9.036 1.00 0.00 H new ATOM 0 HG LEU A 67 4.771 -10.126 -10.007 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.551 -9.857 -7.685 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.018 -8.311 -8.386 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.969 -9.175 -7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.511 -11.976 -8.400 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.888 -11.378 -7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.218 -11.977 -9.624 1.00 0.00 H new ATOM 997 N GLN A 68 0.184 -8.573 -11.281 1.00 0.00 N ATOM 998 CA GLN A 68 -0.785 -7.581 -11.730 1.00 0.00 C ATOM 999 C GLN A 68 -1.138 -6.616 -10.603 1.00 0.00 C ATOM 1000 O GLN A 68 -0.884 -6.895 -9.430 1.00 0.00 O ATOM 1001 CB GLN A 68 -2.051 -8.270 -12.242 1.00 0.00 C ATOM 1002 CG GLN A 68 -2.768 -7.492 -13.334 1.00 0.00 C ATOM 1003 CD GLN A 68 -3.791 -6.519 -12.782 1.00 0.00 C ATOM 1004 OE1 GLN A 68 -3.813 -5.346 -13.156 1.00 0.00 O ATOM 1005 NE2 GLN A 68 -4.645 -7.002 -11.888 1.00 0.00 N ATOM 0 H GLN A 68 -0.195 -9.277 -10.647 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.335 -7.012 -12.543 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.789 -9.257 -12.623 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.735 -8.422 -11.407 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.035 -6.945 -13.926 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.264 -8.191 -14.007 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.590 -7.981 -11.607 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.356 -6.394 -11.482 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.724 -5.481 -10.965 1.00 0.00 N ATOM 1015 CA LEU A 69 -2.112 -4.473 -9.984 1.00 0.00 C ATOM 1016 C LEU A 69 -3.462 -3.858 -10.340 1.00 0.00 C ATOM 1017 O LEU A 69 -3.745 -3.594 -11.508 1.00 0.00 O ATOM 1018 CB LEU A 69 -1.047 -3.379 -9.899 1.00 0.00 C ATOM 1019 CG LEU A 69 -1.234 -2.345 -8.788 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -1.094 -2.998 -7.422 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -0.233 -1.209 -8.943 1.00 0.00 C ATOM 0 H LEU A 69 -1.941 -5.235 -11.931 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.200 -4.961 -9.014 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.076 -3.855 -9.765 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.016 -2.855 -10.854 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.239 -1.931 -8.869 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.230 -2.247 -6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.849 -3.776 -7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.102 -3.440 -7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.381 -0.482 -8.144 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.780 -1.607 -8.889 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.381 -0.723 -9.907 1.00 0.00 H new ATOM 1033 N GLN A 70 -4.289 -3.630 -9.324 1.00 0.00 N ATOM 1034 CA GLN A 70 -5.608 -3.044 -9.531 1.00 0.00 C ATOM 1035 C GLN A 70 -5.925 -2.020 -8.446 1.00 0.00 C ATOM 1036 O GLN A 70 -5.955 -2.347 -7.259 1.00 0.00 O ATOM 1037 CB GLN A 70 -6.678 -4.136 -9.545 1.00 0.00 C ATOM 1038 CG GLN A 70 -8.081 -3.610 -9.800 1.00 0.00 C ATOM 1039 CD GLN A 70 -9.136 -4.696 -9.715 1.00 0.00 C ATOM 1040 OE1 GLN A 70 -9.250 -5.538 -10.606 1.00 0.00 O ATOM 1041 NE2 GLN A 70 -9.914 -4.682 -8.639 1.00 0.00 N ATOM 0 H GLN A 70 -4.069 -3.842 -8.351 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.604 -2.536 -10.495 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.428 -4.868 -10.313 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.663 -4.660 -8.589 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.310 -2.829 -9.075 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.118 -3.149 -10.787 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.784 -3.965 -7.925 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.641 -5.388 -8.526 1.00 0.00 H new ATOM 1050 N LEU A 71 -6.159 -0.780 -8.860 1.00 0.00 N ATOM 1051 CA LEU A 71 -6.473 0.294 -7.923 1.00 0.00 C ATOM 1052 C LEU A 71 -7.964 0.314 -7.599 1.00 0.00 C ATOM 1053 O LEU A 71 -8.789 0.641 -8.452 1.00 0.00 O ATOM 1054 CB LEU A 71 -6.047 1.644 -8.502 1.00 0.00 C ATOM 1055 CG LEU A 71 -5.877 2.782 -7.495 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -4.852 3.788 -7.994 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -7.212 3.464 -7.232 1.00 0.00 C ATOM 0 H LEU A 71 -6.137 -0.493 -9.838 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.921 0.112 -7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.103 1.509 -9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.786 1.949 -9.243 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.515 2.361 -6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.745 4.590 -7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.892 3.291 -8.131 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.184 4.205 -8.945 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.073 4.271 -6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.602 3.872 -8.165 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.918 2.738 -6.830 1.00 0.00 H new ATOM 1069 N GLN A 72 -8.300 -0.035 -6.362 1.00 0.00 N ATOM 1070 CA GLN A 72 -9.691 -0.054 -5.925 1.00 0.00 C ATOM 1071 C GLN A 72 -10.094 1.290 -5.329 1.00 0.00 C ATOM 1072 O GLN A 72 -9.279 1.975 -4.711 1.00 0.00 O ATOM 1073 CB GLN A 72 -9.910 -1.167 -4.899 1.00 0.00 C ATOM 1074 CG GLN A 72 -11.364 -1.339 -4.488 1.00 0.00 C ATOM 1075 CD GLN A 72 -12.066 -2.430 -5.272 1.00 0.00 C ATOM 1076 OE1 GLN A 72 -12.553 -3.406 -4.701 1.00 0.00 O ATOM 1077 NE2 GLN A 72 -12.123 -2.270 -6.589 1.00 0.00 N ATOM 0 H GLN A 72 -7.629 -0.308 -5.645 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.316 -0.245 -6.797 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.544 -2.107 -5.312 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.313 -0.955 -4.012 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.412 -1.573 -3.424 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.892 -0.396 -4.631 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.706 -1.445 -7.021 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.584 -2.972 -7.169 1.00 0.00 H new ATOM 1086 N ALA A 73 -11.355 1.662 -5.519 1.00 0.00 N ATOM 1087 CA ALA A 73 -11.866 2.925 -4.998 1.00 0.00 C ATOM 1088 C ALA A 73 -11.609 3.045 -3.500 1.00 0.00 C ATOM 1089 O ALA A 73 -12.083 2.240 -2.698 1.00 0.00 O ATOM 1090 CB ALA A 73 -13.353 3.053 -5.292 1.00 0.00 C ATOM 0 H ALA A 73 -12.042 1.107 -6.030 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.336 3.737 -5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.722 4.000 -4.898 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.515 3.021 -6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.889 2.230 -4.820 1.00 0.00 H new ATOM 1096 N PRO A 74 -10.839 4.072 -3.112 1.00 0.00 N ATOM 1097 CA PRO A 74 -10.501 4.322 -1.707 1.00 0.00 C ATOM 1098 C PRO A 74 -11.704 4.789 -0.895 1.00 0.00 C ATOM 1099 O PRO A 74 -12.804 4.938 -1.428 1.00 0.00 O ATOM 1100 CB PRO A 74 -9.447 5.429 -1.787 1.00 0.00 C ATOM 1101 CG PRO A 74 -9.727 6.126 -3.074 1.00 0.00 C ATOM 1102 CD PRO A 74 -10.240 5.070 -4.014 1.00 0.00 C ATOM 0 HA PRO A 74 -10.153 3.419 -1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.526 6.112 -0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.438 5.017 -1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.464 6.918 -2.937 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.825 6.595 -3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -10.975 5.474 -4.710 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.437 4.640 -4.612 1.00 0.00 H new ATOM 1110 N SER A 75 -11.488 5.019 0.396 1.00 0.00 N ATOM 1111 CA SER A 75 -12.557 5.466 1.282 1.00 0.00 C ATOM 1112 C SER A 75 -12.669 6.988 1.272 1.00 0.00 C ATOM 1113 O SER A 75 -13.766 7.540 1.206 1.00 0.00 O ATOM 1114 CB SER A 75 -12.306 4.972 2.708 1.00 0.00 C ATOM 1115 OG SER A 75 -13.519 4.878 3.435 1.00 0.00 O ATOM 0 H SER A 75 -10.583 4.903 0.852 1.00 0.00 H new ATOM 0 HA SER A 75 -13.496 5.047 0.919 1.00 0.00 H new ATOM 0 HB2 SER A 75 -11.819 3.997 2.678 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.624 5.653 3.218 1.00 0.00 H new ATOM 0 HG SER A 75 -13.333 4.559 4.343 1.00 0.00 H new ATOM 1121 N GLY A 76 -11.524 7.660 1.337 1.00 0.00 N ATOM 1122 CA GLY A 76 -11.514 9.111 1.335 1.00 0.00 C ATOM 1123 C GLY A 76 -10.129 9.682 1.104 1.00 0.00 C ATOM 1124 O GLY A 76 -9.139 8.951 1.119 1.00 0.00 O ATOM 0 H GLY A 76 -10.603 7.225 1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.187 9.475 0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.899 9.475 2.287 1.00 0.00 H new ATOM 1128 N ASN A 77 -10.058 10.992 0.889 1.00 0.00 N ATOM 1129 CA ASN A 77 -8.784 11.659 0.651 1.00 0.00 C ATOM 1130 C ASN A 77 -8.484 12.668 1.757 1.00 0.00 C ATOM 1131 O ASN A 77 -7.788 13.659 1.536 1.00 0.00 O ATOM 1132 CB ASN A 77 -8.798 12.364 -0.707 1.00 0.00 C ATOM 1133 CG ASN A 77 -8.997 11.396 -1.858 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -9.747 10.426 -1.745 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -8.325 11.657 -2.973 1.00 0.00 N ATOM 0 H ASN A 77 -10.868 11.612 0.875 1.00 0.00 H new ATOM 0 HA ASN A 77 -8.000 10.901 0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.595 13.108 -0.719 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.859 12.900 -0.845 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.419 11.042 -3.781 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.715 12.473 -3.021 1.00 0.00 H new ATOM 1142 N THR A 78 -9.014 12.407 2.948 1.00 0.00 N ATOM 1143 CA THR A 78 -8.805 13.291 4.087 1.00 0.00 C ATOM 1144 C THR A 78 -8.354 12.508 5.315 1.00 0.00 C ATOM 1145 O THR A 78 -8.852 11.414 5.584 1.00 0.00 O ATOM 1146 CB THR A 78 -10.085 14.074 4.434 1.00 0.00 C ATOM 1147 OG1 THR A 78 -10.600 14.714 3.261 1.00 0.00 O ATOM 1148 CG2 THR A 78 -9.808 15.117 5.506 1.00 0.00 C ATOM 0 H THR A 78 -9.591 11.590 3.148 1.00 0.00 H new ATOM 0 HA THR A 78 -8.024 13.995 3.801 1.00 0.00 H new ATOM 0 HB THR A 78 -10.823 13.369 4.817 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.415 15.208 3.489 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.727 15.657 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.443 14.624 6.407 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.055 15.818 5.146 1.00 0.00 H new ATOM 1156 N VAL A 79 -7.409 13.074 6.058 1.00 0.00 N ATOM 1157 CA VAL A 79 -6.892 12.429 7.260 1.00 0.00 C ATOM 1158 C VAL A 79 -6.856 13.401 8.433 1.00 0.00 C ATOM 1159 O VAL A 79 -6.219 14.453 8.381 1.00 0.00 O ATOM 1160 CB VAL A 79 -5.477 11.866 7.030 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -4.981 11.145 8.274 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -5.461 10.939 5.824 1.00 0.00 C ATOM 0 H VAL A 79 -6.985 13.978 5.849 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.568 11.607 7.494 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.802 12.698 6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.980 10.754 8.093 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.952 11.842 9.111 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.655 10.322 8.510 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.453 10.551 5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.148 10.110 5.993 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.770 11.491 4.937 1.00 0.00 H new ATOM 1172 N PRO A 80 -7.557 13.043 9.520 1.00 0.00 N ATOM 1173 CA PRO A 80 -7.621 13.870 10.728 1.00 0.00 C ATOM 1174 C PRO A 80 -6.293 13.906 11.477 1.00 0.00 C ATOM 1175 O PRO A 80 -5.584 12.903 11.550 1.00 0.00 O ATOM 1176 CB PRO A 80 -8.693 13.179 11.575 1.00 0.00 C ATOM 1177 CG PRO A 80 -8.683 11.761 11.115 1.00 0.00 C ATOM 1178 CD PRO A 80 -8.341 11.803 9.651 1.00 0.00 C ATOM 0 HA PRO A 80 -7.846 14.911 10.497 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.465 13.252 12.638 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.671 13.637 11.426 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.950 11.176 11.670 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.654 11.292 11.276 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.765 10.929 9.348 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.236 11.826 9.030 1.00 0.00 H new ATOM 1186 N ALA A 81 -5.963 15.068 12.031 1.00 0.00 N ATOM 1187 CA ALA A 81 -4.721 15.233 12.776 1.00 0.00 C ATOM 1188 C ALA A 81 -4.898 14.828 14.235 1.00 0.00 C ATOM 1189 O ALA A 81 -4.145 15.263 15.106 1.00 0.00 O ATOM 1190 CB ALA A 81 -4.237 16.673 12.681 1.00 0.00 C ATOM 0 H ALA A 81 -6.538 15.909 11.978 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.970 14.578 12.333 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.309 16.783 13.242 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.062 16.930 11.636 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.993 17.339 13.097 1.00 0.00 H new ATOM 1196 N ARG A 82 -5.898 13.992 14.495 1.00 0.00 N ATOM 1197 CA ARG A 82 -6.175 13.529 15.850 1.00 0.00 C ATOM 1198 C ARG A 82 -6.226 12.005 15.904 1.00 0.00 C ATOM 1199 O ARG A 82 -6.844 11.426 16.796 1.00 0.00 O ATOM 1200 CB ARG A 82 -7.497 14.113 16.351 1.00 0.00 C ATOM 1201 CG ARG A 82 -7.607 15.618 16.166 1.00 0.00 C ATOM 1202 CD ARG A 82 -6.576 16.359 17.003 1.00 0.00 C ATOM 1203 NE ARG A 82 -7.052 16.612 18.360 1.00 0.00 N ATOM 1204 CZ ARG A 82 -6.909 15.752 19.362 1.00 0.00 C ATOM 1205 NH1 ARG A 82 -6.306 14.588 19.160 1.00 0.00 N ATOM 1206 NH2 ARG A 82 -7.369 16.055 20.569 1.00 0.00 N ATOM 0 H ARG A 82 -6.530 13.621 13.785 1.00 0.00 H new ATOM 0 HA ARG A 82 -5.367 13.871 16.496 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -8.320 13.630 15.825 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.611 13.876 17.409 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -7.470 15.867 15.114 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -8.608 15.948 16.444 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.656 15.776 17.044 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.332 17.306 16.522 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.520 17.498 18.549 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.951 14.352 18.234 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.197 13.929 19.931 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.833 16.949 20.728 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -7.259 15.394 21.338 1.00 0.00 H new ATOM 1220 N GLY A 83 -5.572 11.361 14.942 1.00 0.00 N ATOM 1221 CA GLY A 83 -5.557 9.911 14.898 1.00 0.00 C ATOM 1222 C GLY A 83 -6.945 9.320 14.747 1.00 0.00 C ATOM 1223 O GLY A 83 -7.207 8.209 15.205 1.00 0.00 O ATOM 0 H GLY A 83 -5.052 11.818 14.193 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.933 9.582 14.067 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.100 9.528 15.810 1.00 0.00 H new ATOM 1227 N GLY A 84 -7.838 10.068 14.106 1.00 0.00 N ATOM 1228 CA GLY A 84 -9.196 9.595 13.910 1.00 0.00 C ATOM 1229 C GLY A 84 -9.247 8.248 13.217 1.00 0.00 C ATOM 1230 O GLY A 84 -9.074 7.208 13.853 1.00 0.00 O ATOM 0 H GLY A 84 -7.646 10.992 13.719 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.695 9.522 14.876 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.750 10.325 13.320 1.00 0.00 H new ATOM 1234 N LEU A 85 -9.487 8.265 11.911 1.00 0.00 N ATOM 1235 CA LEU A 85 -9.563 7.035 11.131 1.00 0.00 C ATOM 1236 C LEU A 85 -8.670 7.116 9.897 1.00 0.00 C ATOM 1237 O LEU A 85 -8.863 7.954 9.016 1.00 0.00 O ATOM 1238 CB LEU A 85 -11.008 6.761 10.711 1.00 0.00 C ATOM 1239 CG LEU A 85 -12.053 6.816 11.827 1.00 0.00 C ATOM 1240 CD1 LEU A 85 -12.481 8.252 12.087 1.00 0.00 C ATOM 1241 CD2 LEU A 85 -13.256 5.954 11.474 1.00 0.00 C ATOM 0 H LEU A 85 -9.632 9.117 11.370 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.212 6.215 11.758 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.286 7.484 9.944 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.050 5.775 10.249 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.604 6.422 12.739 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -13.225 8.271 12.884 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.614 8.842 12.385 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.912 8.673 11.179 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -13.989 6.005 12.279 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -13.706 6.318 10.550 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.936 4.921 11.340 1.00 0.00 H new ATOM 1253 N PRO A 86 -7.671 6.225 9.829 1.00 0.00 N ATOM 1254 CA PRO A 86 -6.730 6.174 8.706 1.00 0.00 C ATOM 1255 C PRO A 86 -7.387 5.681 7.421 1.00 0.00 C ATOM 1256 O PRO A 86 -8.449 5.060 7.455 1.00 0.00 O ATOM 1257 CB PRO A 86 -5.667 5.179 9.178 1.00 0.00 C ATOM 1258 CG PRO A 86 -6.370 4.314 10.167 1.00 0.00 C ATOM 1259 CD PRO A 86 -7.382 5.197 10.843 1.00 0.00 C ATOM 0 HA PRO A 86 -6.333 7.159 8.463 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.277 4.593 8.346 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.819 5.691 9.632 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.855 3.471 9.674 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.669 3.899 10.891 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.279 4.642 11.119 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -6.984 5.636 11.758 1.00 0.00 H new ATOM 1267 N ILE A 87 -6.749 5.963 6.290 1.00 0.00 N ATOM 1268 CA ILE A 87 -7.272 5.547 4.995 1.00 0.00 C ATOM 1269 C ILE A 87 -6.740 4.172 4.603 1.00 0.00 C ATOM 1270 O ILE A 87 -5.562 3.870 4.801 1.00 0.00 O ATOM 1271 CB ILE A 87 -6.911 6.558 3.891 1.00 0.00 C ATOM 1272 CG1 ILE A 87 -7.426 7.952 4.257 1.00 0.00 C ATOM 1273 CG2 ILE A 87 -7.484 6.110 2.554 1.00 0.00 C ATOM 1274 CD1 ILE A 87 -6.846 9.055 3.400 1.00 0.00 C ATOM 0 H ILE A 87 -5.870 6.478 6.245 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.357 5.500 5.093 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.826 6.604 3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.512 7.965 4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.192 8.154 5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.220 6.835 1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.074 5.135 2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.569 6.039 2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.255 10.015 3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.762 9.069 3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.102 8.877 2.356 1.00 0.00 H new ATOM 1286 N THR A 88 -7.615 3.342 4.044 1.00 0.00 N ATOM 1287 CA THR A 88 -7.234 2.000 3.623 1.00 0.00 C ATOM 1288 C THR A 88 -7.643 1.740 2.178 1.00 0.00 C ATOM 1289 O THR A 88 -8.783 1.995 1.791 1.00 0.00 O ATOM 1290 CB THR A 88 -7.870 0.926 4.526 1.00 0.00 C ATOM 1291 OG1 THR A 88 -9.284 1.137 4.615 1.00 0.00 O ATOM 1292 CG2 THR A 88 -7.258 0.958 5.918 1.00 0.00 C ATOM 0 H THR A 88 -8.593 3.576 3.872 1.00 0.00 H new ATOM 0 HA THR A 88 -6.149 1.939 3.707 1.00 0.00 H new ATOM 0 HB THR A 88 -7.676 -0.051 4.084 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.643 1.327 3.723 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.723 0.191 6.538 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.187 0.769 5.849 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.425 1.937 6.367 1.00 0.00 H new ATOM 1300 N GLN A 89 -6.706 1.231 1.385 1.00 0.00 N ATOM 1301 CA GLN A 89 -6.971 0.936 -0.018 1.00 0.00 C ATOM 1302 C GLN A 89 -6.778 -0.548 -0.309 1.00 0.00 C ATOM 1303 O GLN A 89 -6.077 -1.249 0.423 1.00 0.00 O ATOM 1304 CB GLN A 89 -6.054 1.767 -0.918 1.00 0.00 C ATOM 1305 CG GLN A 89 -6.523 1.843 -2.362 1.00 0.00 C ATOM 1306 CD GLN A 89 -6.024 3.085 -3.073 1.00 0.00 C ATOM 1307 OE1 GLN A 89 -4.851 3.445 -2.969 1.00 0.00 O ATOM 1308 NE2 GLN A 89 -6.914 3.747 -3.802 1.00 0.00 N ATOM 0 H GLN A 89 -5.757 1.014 1.690 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.008 1.197 -0.227 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.982 2.777 -0.515 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.051 1.341 -0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.179 0.959 -2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.613 1.827 -2.387 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.876 3.413 -3.860 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.636 4.590 -4.304 1.00 0.00 H new ATOM 1317 N LEU A 90 -7.403 -1.023 -1.381 1.00 0.00 N ATOM 1318 CA LEU A 90 -7.301 -2.425 -1.768 1.00 0.00 C ATOM 1319 C LEU A 90 -6.597 -2.568 -3.114 1.00 0.00 C ATOM 1320 O LEU A 90 -6.793 -1.756 -4.019 1.00 0.00 O ATOM 1321 CB LEU A 90 -8.691 -3.059 -1.838 1.00 0.00 C ATOM 1322 CG LEU A 90 -8.822 -4.295 -2.728 1.00 0.00 C ATOM 1323 CD1 LEU A 90 -8.057 -5.466 -2.132 1.00 0.00 C ATOM 1324 CD2 LEU A 90 -10.287 -4.657 -2.925 1.00 0.00 C ATOM 0 H LEU A 90 -7.986 -0.457 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.711 -2.942 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.996 -3.330 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.395 -2.305 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.391 -4.065 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.162 -6.337 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.003 -5.205 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.457 -5.698 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.361 -5.539 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.743 -4.868 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.807 -3.824 -3.398 1.00 0.00 H new ATOM 1336 N PHE A 91 -5.778 -3.607 -3.240 1.00 0.00 N ATOM 1337 CA PHE A 91 -5.045 -3.857 -4.476 1.00 0.00 C ATOM 1338 C PHE A 91 -5.038 -5.346 -4.812 1.00 0.00 C ATOM 1339 O PHE A 91 -4.491 -6.159 -4.066 1.00 0.00 O ATOM 1340 CB PHE A 91 -3.609 -3.343 -4.356 1.00 0.00 C ATOM 1341 CG PHE A 91 -3.522 -1.891 -3.982 1.00 0.00 C ATOM 1342 CD1 PHE A 91 -3.561 -1.501 -2.653 1.00 0.00 C ATOM 1343 CD2 PHE A 91 -3.400 -0.916 -4.959 1.00 0.00 C ATOM 1344 CE1 PHE A 91 -3.481 -0.165 -2.306 1.00 0.00 C ATOM 1345 CE2 PHE A 91 -3.319 0.421 -4.619 1.00 0.00 C ATOM 1346 CZ PHE A 91 -3.359 0.797 -3.290 1.00 0.00 C ATOM 0 H PHE A 91 -5.605 -4.289 -2.502 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.548 -3.323 -5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.081 -3.935 -3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.096 -3.497 -5.305 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.655 -2.249 -1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.368 -1.205 -5.999 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.514 0.126 -1.267 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.225 1.171 -5.391 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.295 1.841 -3.021 1.00 0.00 H new ATOM 1356 N ARG A 92 -5.650 -5.695 -5.939 1.00 0.00 N ATOM 1357 CA ARG A 92 -5.716 -7.085 -6.373 1.00 0.00 C ATOM 1358 C ARG A 92 -4.513 -7.442 -7.240 1.00 0.00 C ATOM 1359 O ARG A 92 -4.385 -6.964 -8.368 1.00 0.00 O ATOM 1360 CB ARG A 92 -7.010 -7.338 -7.149 1.00 0.00 C ATOM 1361 CG ARG A 92 -8.171 -7.775 -6.270 1.00 0.00 C ATOM 1362 CD ARG A 92 -9.252 -8.472 -7.082 1.00 0.00 C ATOM 1363 NE ARG A 92 -10.144 -9.264 -6.239 1.00 0.00 N ATOM 1364 CZ ARG A 92 -11.161 -9.976 -6.711 1.00 0.00 C ATOM 1365 NH1 ARG A 92 -11.414 -9.995 -8.012 1.00 0.00 N ATOM 1366 NH2 ARG A 92 -11.928 -10.671 -5.880 1.00 0.00 N ATOM 0 H ARG A 92 -6.107 -5.034 -6.568 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.703 -7.717 -5.485 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.289 -6.428 -7.680 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.828 -8.104 -7.903 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.808 -8.447 -5.493 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.595 -6.906 -5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.833 -7.728 -7.626 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -8.787 -9.119 -7.826 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.977 -9.271 -5.233 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.827 -9.462 -8.654 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.196 -10.543 -8.372 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.737 -10.658 -4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.709 -11.218 -6.243 1.00 0.00 H new ATOM 1380 N ILE A 93 -3.633 -8.282 -6.706 1.00 0.00 N ATOM 1381 CA ILE A 93 -2.441 -8.702 -7.432 1.00 0.00 C ATOM 1382 C ILE A 93 -2.491 -10.191 -7.755 1.00 0.00 C ATOM 1383 O ILE A 93 -3.034 -10.987 -6.988 1.00 0.00 O ATOM 1384 CB ILE A 93 -1.160 -8.405 -6.630 1.00 0.00 C ATOM 1385 CG1 ILE A 93 -0.977 -6.896 -6.460 1.00 0.00 C ATOM 1386 CG2 ILE A 93 0.050 -9.016 -7.319 1.00 0.00 C ATOM 1387 CD1 ILE A 93 -0.229 -6.516 -5.201 1.00 0.00 C ATOM 0 H ILE A 93 -3.723 -8.685 -5.773 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.419 -8.132 -8.361 1.00 0.00 H new ATOM 0 HB ILE A 93 -1.256 -8.854 -5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.441 -6.504 -7.324 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.957 -6.418 -6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.947 -8.797 -6.740 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.080 -10.096 -7.393 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.151 -8.594 -8.319 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.136 -5.431 -5.146 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.775 -6.878 -4.330 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.764 -6.965 -5.219 1.00 0.00 H new ATOM 1399 N LEU A 94 -1.919 -10.563 -8.895 1.00 0.00 N ATOM 1400 CA LEU A 94 -1.896 -11.958 -9.321 1.00 0.00 C ATOM 1401 C LEU A 94 -0.477 -12.516 -9.282 1.00 0.00 C ATOM 1402 O LEU A 94 0.440 -11.949 -9.876 1.00 0.00 O ATOM 1403 CB LEU A 94 -2.470 -12.091 -10.733 1.00 0.00 C ATOM 1404 CG LEU A 94 -3.977 -12.329 -10.825 1.00 0.00 C ATOM 1405 CD1 LEU A 94 -4.357 -13.622 -10.120 1.00 0.00 C ATOM 1406 CD2 LEU A 94 -4.740 -11.153 -10.233 1.00 0.00 C ATOM 0 H LEU A 94 -1.465 -9.918 -9.541 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.512 -12.533 -8.630 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.231 -11.184 -11.288 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.961 -12.914 -11.234 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.248 -12.419 -11.877 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.434 -13.775 -10.196 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.838 -14.458 -10.589 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.072 -13.561 -9.070 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.811 -11.340 -10.307 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.465 -11.031 -9.185 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.491 -10.245 -10.782 1.00 0.00 H new ATOM 1418 N ASN A 95 -0.304 -13.631 -8.580 1.00 0.00 N ATOM 1419 CA ASN A 95 1.004 -14.267 -8.465 1.00 0.00 C ATOM 1420 C ASN A 95 0.930 -15.739 -8.861 1.00 0.00 C ATOM 1421 O ASN A 95 1.467 -16.617 -8.186 1.00 0.00 O ATOM 1422 CB ASN A 95 1.533 -14.138 -7.035 1.00 0.00 C ATOM 1423 CG ASN A 95 2.819 -14.912 -6.823 1.00 0.00 C ATOM 1424 OD1 ASN A 95 3.934 -14.340 -7.264 1.00 0.00 O flip ATOM 1425 ND2 ASN A 95 2.811 -16.011 -6.268 1.00 0.00 N flip ATOM 0 H ASN A 95 -1.053 -14.113 -8.082 1.00 0.00 H new ATOM 0 HA ASN A 95 1.688 -13.760 -9.146 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.704 -13.086 -6.807 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.777 -14.497 -6.337 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.931 -16.413 -5.945 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.684 -16.520 -6.131 1.00 0.00 H new ATOM 1432 N PRO A 96 0.248 -16.016 -9.983 1.00 0.00 N ATOM 1433 CA PRO A 96 0.089 -17.380 -10.495 1.00 0.00 C ATOM 1434 C PRO A 96 1.396 -17.955 -11.030 1.00 0.00 C ATOM 1435 O PRO A 96 1.508 -19.159 -11.257 1.00 0.00 O ATOM 1436 CB PRO A 96 -0.927 -17.217 -11.628 1.00 0.00 C ATOM 1437 CG PRO A 96 -0.778 -15.802 -12.070 1.00 0.00 C ATOM 1438 CD PRO A 96 -0.418 -15.019 -10.837 1.00 0.00 C ATOM 0 HA PRO A 96 -0.228 -18.073 -9.716 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -0.724 -17.910 -12.444 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.941 -17.419 -11.283 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -0.003 -15.710 -12.831 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.703 -15.431 -12.511 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.243 -14.184 -11.070 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.301 -14.602 -10.354 1.00 0.00 H new ATOM 1446 N ASN A 97 2.381 -17.086 -11.229 1.00 0.00 N ATOM 1447 CA ASN A 97 3.681 -17.509 -11.738 1.00 0.00 C ATOM 1448 C ASN A 97 4.608 -17.913 -10.595 1.00 0.00 C ATOM 1449 O ASN A 97 5.782 -18.213 -10.809 1.00 0.00 O ATOM 1450 CB ASN A 97 4.322 -16.385 -12.555 1.00 0.00 C ATOM 1451 CG ASN A 97 3.948 -16.452 -14.023 1.00 0.00 C ATOM 1452 OD1 ASN A 97 4.747 -16.871 -14.861 1.00 0.00 O ATOM 1453 ND2 ASN A 97 2.727 -16.038 -14.342 1.00 0.00 N ATOM 0 H ASN A 97 2.304 -16.085 -11.046 1.00 0.00 H new ATOM 0 HA ASN A 97 3.527 -18.375 -12.381 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.014 -15.422 -12.148 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.406 -16.440 -12.456 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.419 -16.060 -15.314 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.097 -15.698 -13.615 1.00 0.00 H new ATOM 1460 N LYS A 98 4.071 -17.920 -9.380 1.00 0.00 N ATOM 1461 CA LYS A 98 4.846 -18.289 -8.202 1.00 0.00 C ATOM 1462 C LYS A 98 6.206 -17.598 -8.208 1.00 0.00 C ATOM 1463 O LYS A 98 7.232 -18.224 -7.943 1.00 0.00 O ATOM 1464 CB LYS A 98 5.034 -19.807 -8.145 1.00 0.00 C ATOM 1465 CG LYS A 98 3.737 -20.573 -7.950 1.00 0.00 C ATOM 1466 CD LYS A 98 3.997 -22.016 -7.551 1.00 0.00 C ATOM 1467 CE LYS A 98 2.860 -22.928 -7.987 1.00 0.00 C ATOM 1468 NZ LYS A 98 1.746 -22.937 -6.998 1.00 0.00 N ATOM 0 H LYS A 98 3.100 -17.674 -9.185 1.00 0.00 H new ATOM 0 HA LYS A 98 4.296 -17.964 -7.319 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.508 -20.141 -9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.716 -20.050 -7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.137 -20.085 -7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.156 -20.548 -8.872 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.930 -22.356 -8.000 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.121 -22.079 -6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.483 -22.601 -8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.238 -23.942 -8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.991 -23.570 -7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.100 -23.274 -6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.368 -21.974 -6.892 1.00 0.00 H new ATOM 1482 N ALA A 99 6.206 -16.304 -8.510 1.00 0.00 N ATOM 1483 CA ALA A 99 7.439 -15.528 -8.546 1.00 0.00 C ATOM 1484 C ALA A 99 7.405 -14.395 -7.526 1.00 0.00 C ATOM 1485 O ALA A 99 6.744 -13.374 -7.718 1.00 0.00 O ATOM 1486 CB ALA A 99 7.674 -14.975 -9.944 1.00 0.00 C ATOM 0 H ALA A 99 5.366 -15.771 -8.733 1.00 0.00 H new ATOM 0 HA ALA A 99 8.264 -16.191 -8.286 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.598 -14.398 -9.956 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.752 -15.799 -10.653 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.840 -14.332 -10.226 1.00 0.00 H new ATOM 1492 N PRO A 100 8.133 -14.577 -6.414 1.00 0.00 N ATOM 1493 CA PRO A 100 8.202 -13.580 -5.341 1.00 0.00 C ATOM 1494 C PRO A 100 8.971 -12.331 -5.758 1.00 0.00 C ATOM 1495 O PRO A 100 10.178 -12.231 -5.537 1.00 0.00 O ATOM 1496 CB PRO A 100 8.942 -14.315 -4.221 1.00 0.00 C ATOM 1497 CG PRO A 100 9.751 -15.353 -4.919 1.00 0.00 C ATOM 1498 CD PRO A 100 8.945 -15.769 -6.118 1.00 0.00 C ATOM 0 HA PRO A 100 7.214 -13.222 -5.054 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.576 -13.635 -3.653 1.00 0.00 H new ATOM 0 HB3 PRO A 100 8.245 -14.765 -3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.720 -14.955 -5.219 1.00 0.00 H new ATOM 0 HG3 PRO A 100 9.944 -16.203 -4.264 1.00 0.00 H new ATOM 0 HD2 PRO A 100 9.585 -16.038 -6.958 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.321 -16.636 -5.902 1.00 0.00 H new ATOM 1506 N LEU A 101 8.266 -11.382 -6.363 1.00 0.00 N ATOM 1507 CA LEU A 101 8.883 -10.138 -6.811 1.00 0.00 C ATOM 1508 C LEU A 101 8.610 -9.008 -5.823 1.00 0.00 C ATOM 1509 O LEU A 101 8.027 -9.226 -4.761 1.00 0.00 O ATOM 1510 CB LEU A 101 8.359 -9.756 -8.197 1.00 0.00 C ATOM 1511 CG LEU A 101 9.148 -10.303 -9.387 1.00 0.00 C ATOM 1512 CD1 LEU A 101 8.644 -11.685 -9.772 1.00 0.00 C ATOM 1513 CD2 LEU A 101 9.057 -9.351 -10.570 1.00 0.00 C ATOM 0 H LEU A 101 7.267 -11.450 -6.555 1.00 0.00 H new ATOM 0 HA LEU A 101 9.960 -10.295 -6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.328 -10.100 -8.281 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.339 -8.669 -8.269 1.00 0.00 H new ATOM 0 HG LEU A 101 10.195 -10.389 -9.096 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.217 -12.058 -10.621 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.763 -12.364 -8.927 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.590 -11.625 -10.044 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.624 -9.756 -11.408 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.014 -9.232 -10.862 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.468 -8.381 -10.289 1.00 0.00 H new ATOM 1525 N ARG A 102 9.036 -7.801 -6.181 1.00 0.00 N ATOM 1526 CA ARG A 102 8.837 -6.637 -5.326 1.00 0.00 C ATOM 1527 C ARG A 102 7.763 -5.718 -5.900 1.00 0.00 C ATOM 1528 O ARG A 102 7.200 -5.990 -6.962 1.00 0.00 O ATOM 1529 CB ARG A 102 10.149 -5.866 -5.165 1.00 0.00 C ATOM 1530 CG ARG A 102 10.699 -5.320 -6.472 1.00 0.00 C ATOM 1531 CD ARG A 102 12.126 -4.820 -6.310 1.00 0.00 C ATOM 1532 NE ARG A 102 12.894 -4.945 -7.546 1.00 0.00 N ATOM 1533 CZ ARG A 102 12.645 -4.234 -8.640 1.00 0.00 C ATOM 1534 NH1 ARG A 102 11.655 -3.353 -8.652 1.00 0.00 N ATOM 1535 NH2 ARG A 102 13.388 -4.405 -9.726 1.00 0.00 N ATOM 0 H ARG A 102 9.521 -7.604 -7.057 1.00 0.00 H new ATOM 0 HA ARG A 102 8.507 -6.988 -4.348 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.992 -5.039 -4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.893 -6.522 -4.713 1.00 0.00 H new ATOM 0 HG2 ARG A 102 10.669 -6.099 -7.234 1.00 0.00 H new ATOM 0 HG3 ARG A 102 10.065 -4.506 -6.823 1.00 0.00 H new ATOM 0 HD2 ARG A 102 12.111 -3.776 -5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 102 12.620 -5.383 -5.518 1.00 0.00 H new ATOM 0 HE ARG A 102 13.663 -5.614 -7.570 1.00 0.00 H new ATOM 0 HH11 ARG A 102 11.081 -3.219 -7.819 1.00 0.00 H new ATOM 0 HH12 ARG A 102 11.467 -2.809 -9.494 1.00 0.00 H new ATOM 0 HH21 ARG A 102 14.150 -5.083 -9.721 1.00 0.00 H new ATOM 0 HH22 ARG A 102 13.197 -3.859 -10.566 1.00 0.00 H new ATOM 1549 N LEU A 103 7.482 -4.630 -5.192 1.00 0.00 N ATOM 1550 CA LEU A 103 6.474 -3.671 -5.630 1.00 0.00 C ATOM 1551 C LEU A 103 6.927 -2.241 -5.353 1.00 0.00 C ATOM 1552 O LEU A 103 7.592 -1.971 -4.353 1.00 0.00 O ATOM 1553 CB LEU A 103 5.143 -3.941 -4.926 1.00 0.00 C ATOM 1554 CG LEU A 103 4.140 -2.787 -4.919 1.00 0.00 C ATOM 1555 CD1 LEU A 103 3.797 -2.370 -6.341 1.00 0.00 C ATOM 1556 CD2 LEU A 103 2.882 -3.178 -4.158 1.00 0.00 C ATOM 0 H LEU A 103 7.938 -4.390 -4.312 1.00 0.00 H new ATOM 0 HA LEU A 103 6.339 -3.789 -6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.672 -4.802 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.352 -4.221 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 103 4.597 -1.937 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.082 -1.548 -6.317 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.703 -2.048 -6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.360 -3.215 -6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.180 -2.344 -4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.422 -4.043 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.142 -3.427 -3.129 1.00 0.00 H new ATOM 1568 N LYS A 104 6.561 -1.326 -6.245 1.00 0.00 N ATOM 1569 CA LYS A 104 6.926 0.078 -6.097 1.00 0.00 C ATOM 1570 C LYS A 104 5.785 0.873 -5.469 1.00 0.00 C ATOM 1571 O LYS A 104 4.628 0.741 -5.871 1.00 0.00 O ATOM 1572 CB LYS A 104 7.292 0.677 -7.456 1.00 0.00 C ATOM 1573 CG LYS A 104 8.058 1.985 -7.358 1.00 0.00 C ATOM 1574 CD LYS A 104 8.848 2.266 -8.625 1.00 0.00 C ATOM 1575 CE LYS A 104 8.026 3.058 -9.630 1.00 0.00 C ATOM 1576 NZ LYS A 104 8.856 3.537 -10.770 1.00 0.00 N ATOM 0 H LYS A 104 6.011 -1.532 -7.079 1.00 0.00 H new ATOM 0 HA LYS A 104 7.792 0.135 -5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.891 -0.044 -8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.379 0.842 -8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.361 2.803 -7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.737 1.947 -6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.753 2.821 -8.376 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.165 1.325 -9.074 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.215 2.435 -10.008 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.567 3.911 -9.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.260 4.072 -11.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.615 4.152 -10.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.274 2.722 -11.262 1.00 0.00 H new ATOM 1590 N LEU A 105 6.119 1.698 -4.483 1.00 0.00 N ATOM 1591 CA LEU A 105 5.122 2.517 -3.801 1.00 0.00 C ATOM 1592 C LEU A 105 5.485 3.996 -3.880 1.00 0.00 C ATOM 1593 O LEU A 105 6.649 4.369 -3.729 1.00 0.00 O ATOM 1594 CB LEU A 105 4.997 2.088 -2.338 1.00 0.00 C ATOM 1595 CG LEU A 105 4.072 0.902 -2.063 1.00 0.00 C ATOM 1596 CD1 LEU A 105 4.267 0.391 -0.644 1.00 0.00 C ATOM 1597 CD2 LEU A 105 2.620 1.292 -2.296 1.00 0.00 C ATOM 0 H LEU A 105 7.071 1.818 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 105 4.164 2.371 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.992 1.841 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.643 2.941 -1.759 1.00 0.00 H new ATOM 0 HG LEU A 105 4.327 0.099 -2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.600 -0.453 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.301 0.071 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.040 1.188 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.976 0.435 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.352 2.111 -1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.490 1.609 -3.331 1.00 0.00 H new ATOM 1609 N ARG A 106 4.482 4.835 -4.116 1.00 0.00 N ATOM 1610 CA ARG A 106 4.695 6.273 -4.214 1.00 0.00 C ATOM 1611 C ARG A 106 3.678 7.033 -3.368 1.00 0.00 C ATOM 1612 O ARG A 106 2.487 6.719 -3.379 1.00 0.00 O ATOM 1613 CB ARG A 106 4.602 6.726 -5.672 1.00 0.00 C ATOM 1614 CG ARG A 106 4.619 8.236 -5.843 1.00 0.00 C ATOM 1615 CD ARG A 106 5.213 8.639 -7.184 1.00 0.00 C ATOM 1616 NE ARG A 106 5.214 10.087 -7.370 1.00 0.00 N ATOM 1617 CZ ARG A 106 5.231 10.675 -8.561 1.00 0.00 C ATOM 1618 NH1 ARG A 106 5.247 9.942 -9.666 1.00 0.00 N ATOM 1619 NH2 ARG A 106 5.230 11.999 -8.648 1.00 0.00 N ATOM 0 H ARG A 106 3.513 4.543 -4.243 1.00 0.00 H new ATOM 0 HA ARG A 106 5.693 6.493 -3.835 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.433 6.296 -6.231 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.685 6.330 -6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.603 8.624 -5.763 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.197 8.688 -5.037 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.234 8.264 -7.255 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.644 8.171 -7.988 1.00 0.00 H new ATOM 0 HE ARG A 106 5.201 10.680 -6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.246 8.924 -9.603 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.260 10.396 -10.579 1.00 0.00 H new ATOM 0 HH21 ARG A 106 5.216 12.566 -7.800 1.00 0.00 H new ATOM 0 HH22 ARG A 106 5.243 12.450 -9.563 1.00 0.00 H new ATOM 1633 N LEU A 107 4.154 8.034 -2.635 1.00 0.00 N ATOM 1634 CA LEU A 107 3.286 8.839 -1.783 1.00 0.00 C ATOM 1635 C LEU A 107 3.441 10.323 -2.095 1.00 0.00 C ATOM 1636 O LEU A 107 4.551 10.857 -2.096 1.00 0.00 O ATOM 1637 CB LEU A 107 3.603 8.580 -0.309 1.00 0.00 C ATOM 1638 CG LEU A 107 3.524 7.123 0.149 1.00 0.00 C ATOM 1639 CD1 LEU A 107 4.155 6.960 1.523 1.00 0.00 C ATOM 1640 CD2 LEU A 107 2.078 6.647 0.165 1.00 0.00 C ATOM 0 H LEU A 107 5.136 8.307 -2.614 1.00 0.00 H new ATOM 0 HA LEU A 107 2.254 8.551 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.607 8.950 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.916 9.169 0.299 1.00 0.00 H new ATOM 0 HG LEU A 107 4.081 6.509 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.089 5.917 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.202 7.261 1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.627 7.586 2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.040 5.608 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.499 7.265 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.658 6.726 -0.838 1.00 0.00 H new ATOM 1652 N THR A 108 2.320 10.988 -2.358 1.00 0.00 N ATOM 1653 CA THR A 108 2.331 12.411 -2.671 1.00 0.00 C ATOM 1654 C THR A 108 1.137 13.121 -2.042 1.00 0.00 C ATOM 1655 O THR A 108 -0.011 12.876 -2.416 1.00 0.00 O ATOM 1656 CB THR A 108 2.314 12.653 -4.192 1.00 0.00 C ATOM 1657 OG1 THR A 108 1.500 11.666 -4.836 1.00 0.00 O ATOM 1658 CG2 THR A 108 3.724 12.606 -4.762 1.00 0.00 C ATOM 0 H THR A 108 1.393 10.563 -2.360 1.00 0.00 H new ATOM 0 HA THR A 108 3.253 12.818 -2.257 1.00 0.00 H new ATOM 0 HB THR A 108 1.897 13.643 -4.376 1.00 0.00 H new ATOM 0 HG1 THR A 108 1.493 11.828 -5.803 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.688 12.779 -5.837 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.333 13.377 -4.290 1.00 0.00 H new ATOM 0 HG23 THR A 108 4.163 11.628 -4.567 1.00 0.00 H new ATOM 1666 N TYR A 109 1.414 14.002 -1.087 1.00 0.00 N ATOM 1667 CA TYR A 109 0.362 14.746 -0.405 1.00 0.00 C ATOM 1668 C TYR A 109 0.915 16.023 0.219 1.00 0.00 C ATOM 1669 O TYR A 109 2.120 16.275 0.180 1.00 0.00 O ATOM 1670 CB TYR A 109 -0.289 13.879 0.673 1.00 0.00 C ATOM 1671 CG TYR A 109 0.697 13.303 1.664 1.00 0.00 C ATOM 1672 CD1 TYR A 109 1.156 14.058 2.736 1.00 0.00 C ATOM 1673 CD2 TYR A 109 1.168 12.003 1.529 1.00 0.00 C ATOM 1674 CE1 TYR A 109 2.058 13.536 3.643 1.00 0.00 C ATOM 1675 CE2 TYR A 109 2.069 11.472 2.432 1.00 0.00 C ATOM 1676 CZ TYR A 109 2.511 12.243 3.487 1.00 0.00 C ATOM 1677 OH TYR A 109 3.408 11.719 4.390 1.00 0.00 O ATOM 0 H TYR A 109 2.358 14.218 -0.768 1.00 0.00 H new ATOM 0 HA TYR A 109 -0.391 15.020 -1.144 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -1.026 14.475 1.211 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.829 13.062 0.194 1.00 0.00 H new ATOM 0 HD1 TYR A 109 0.802 15.070 2.863 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.824 11.397 0.704 1.00 0.00 H new ATOM 0 HE1 TYR A 109 2.406 14.137 4.470 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.425 10.459 2.313 1.00 0.00 H new ATOM 0 HH TYR A 109 3.625 10.797 4.138 1.00 0.00 H new ATOM 1687 N ASP A 110 0.027 16.826 0.795 1.00 0.00 N ATOM 1688 CA ASP A 110 0.425 18.077 1.430 1.00 0.00 C ATOM 1689 C ASP A 110 0.512 17.913 2.945 1.00 0.00 C ATOM 1690 O ASP A 110 -0.411 17.399 3.578 1.00 0.00 O ATOM 1691 CB ASP A 110 -0.566 19.188 1.081 1.00 0.00 C ATOM 1692 CG ASP A 110 0.082 20.559 1.074 1.00 0.00 C ATOM 1693 OD1 ASP A 110 0.851 20.848 0.134 1.00 0.00 O ATOM 1694 OD2 ASP A 110 -0.182 21.344 2.009 1.00 0.00 O ATOM 0 H ASP A 110 -0.974 16.633 0.835 1.00 0.00 H new ATOM 0 HA ASP A 110 1.411 18.350 1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.000 18.989 0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -1.385 19.180 1.800 1.00 0.00 H new ATOM 1699 N HIS A 111 1.626 18.354 3.519 1.00 0.00 N ATOM 1700 CA HIS A 111 1.834 18.256 4.960 1.00 0.00 C ATOM 1701 C HIS A 111 2.291 19.594 5.535 1.00 0.00 C ATOM 1702 O HIS A 111 3.361 20.096 5.191 1.00 0.00 O ATOM 1703 CB HIS A 111 2.866 17.174 5.275 1.00 0.00 C ATOM 1704 CG HIS A 111 2.811 16.687 6.691 1.00 0.00 C ATOM 1705 ND1 HIS A 111 3.660 15.721 7.188 1.00 0.00 N ATOM 1706 CD2 HIS A 111 2.003 17.041 7.717 1.00 0.00 C ATOM 1707 CE1 HIS A 111 3.375 15.500 8.459 1.00 0.00 C ATOM 1708 NE2 HIS A 111 2.373 16.289 8.805 1.00 0.00 N ATOM 0 H HIS A 111 2.399 18.783 3.009 1.00 0.00 H new ATOM 0 HA HIS A 111 0.884 17.987 5.422 1.00 0.00 H new ATOM 0 HB2 HIS A 111 2.712 16.330 4.603 1.00 0.00 H new ATOM 0 HB3 HIS A 111 3.863 17.565 5.072 1.00 0.00 H new ATOM 0 HD2 HIS A 111 1.214 17.778 7.686 1.00 0.00 H new ATOM 0 HE1 HIS A 111 3.876 14.794 9.105 1.00 0.00 H new ATOM 0 HE2 HIS A 111 1.944 16.332 9.729 1.00 0.00 H new ATOM 1716 N PHE A 112 1.472 20.166 6.411 1.00 0.00 N ATOM 1717 CA PHE A 112 1.790 21.446 7.032 1.00 0.00 C ATOM 1718 C PHE A 112 2.071 22.509 5.974 1.00 0.00 C ATOM 1719 O PHE A 112 3.091 23.197 6.024 1.00 0.00 O ATOM 1720 CB PHE A 112 3.000 21.301 7.958 1.00 0.00 C ATOM 1721 CG PHE A 112 2.651 20.782 9.324 1.00 0.00 C ATOM 1722 CD1 PHE A 112 2.041 21.605 10.257 1.00 0.00 C ATOM 1723 CD2 PHE A 112 2.931 19.471 9.674 1.00 0.00 C ATOM 1724 CE1 PHE A 112 1.719 21.130 11.514 1.00 0.00 C ATOM 1725 CE2 PHE A 112 2.612 18.991 10.930 1.00 0.00 C ATOM 1726 CZ PHE A 112 2.004 19.822 11.851 1.00 0.00 C ATOM 0 H PHE A 112 0.583 19.763 6.707 1.00 0.00 H new ATOM 0 HA PHE A 112 0.927 21.761 7.619 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.722 20.628 7.496 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.488 22.271 8.060 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.815 22.629 9.999 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.404 18.817 8.957 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.245 21.782 12.233 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.838 17.968 11.191 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.752 19.449 12.833 1.00 0.00 H new ATOM 1736 N HIS A 113 1.157 22.638 5.017 1.00 0.00 N ATOM 1737 CA HIS A 113 1.305 23.618 3.946 1.00 0.00 C ATOM 1738 C HIS A 113 2.640 23.441 3.229 1.00 0.00 C ATOM 1739 O HIS A 113 3.360 24.410 2.992 1.00 0.00 O ATOM 1740 CB HIS A 113 1.197 25.037 4.505 1.00 0.00 C ATOM 1741 CG HIS A 113 -0.214 25.508 4.676 1.00 0.00 C ATOM 1742 ND1 HIS A 113 -1.091 25.654 3.622 1.00 0.00 N ATOM 1743 CD2 HIS A 113 -0.900 25.865 5.786 1.00 0.00 C ATOM 1744 CE1 HIS A 113 -2.255 26.083 4.076 1.00 0.00 C ATOM 1745 NE2 HIS A 113 -2.166 26.218 5.387 1.00 0.00 N ATOM 0 H HIS A 113 0.307 22.077 4.961 1.00 0.00 H new ATOM 0 HA HIS A 113 0.502 23.458 3.227 1.00 0.00 H new ATOM 0 HB2 HIS A 113 1.704 25.078 5.469 1.00 0.00 H new ATOM 0 HB3 HIS A 113 1.722 25.722 3.839 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -0.522 25.871 6.798 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -3.130 26.288 3.477 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -2.916 26.533 6.003 1.00 0.00 H new ATOM 1753 N GLN A 114 2.963 22.198 2.887 1.00 0.00 N ATOM 1754 CA GLN A 114 4.212 21.895 2.198 1.00 0.00 C ATOM 1755 C GLN A 114 4.064 20.654 1.324 1.00 0.00 C ATOM 1756 O GLN A 114 3.364 19.708 1.686 1.00 0.00 O ATOM 1757 CB GLN A 114 5.340 21.689 3.211 1.00 0.00 C ATOM 1758 CG GLN A 114 5.736 22.959 3.947 1.00 0.00 C ATOM 1759 CD GLN A 114 7.027 22.804 4.726 1.00 0.00 C ATOM 1760 OE1 GLN A 114 7.028 22.817 5.957 1.00 0.00 O ATOM 1761 NE2 GLN A 114 8.136 22.656 4.011 1.00 0.00 N ATOM 0 H GLN A 114 2.377 21.385 3.076 1.00 0.00 H new ATOM 0 HA GLN A 114 4.459 22.741 1.557 1.00 0.00 H new ATOM 0 HB2 GLN A 114 5.031 20.939 3.939 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.213 21.291 2.694 1.00 0.00 H new ATOM 0 HG2 GLN A 114 5.845 23.772 3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.936 23.243 4.630 1.00 0.00 H new ATOM 0 HE21 GLN A 114 8.089 22.651 2.992 1.00 0.00 H new ATOM 0 HE22 GLN A 114 9.035 22.547 4.481 1.00 0.00 H new ATOM 1770 N SER A 115 4.728 20.665 0.173 1.00 0.00 N ATOM 1771 CA SER A 115 4.668 19.541 -0.755 1.00 0.00 C ATOM 1772 C SER A 115 5.548 18.392 -0.274 1.00 0.00 C ATOM 1773 O SER A 115 6.743 18.567 -0.038 1.00 0.00 O ATOM 1774 CB SER A 115 5.105 19.983 -2.153 1.00 0.00 C ATOM 1775 OG SER A 115 6.473 20.352 -2.167 1.00 0.00 O ATOM 0 H SER A 115 5.314 21.439 -0.140 1.00 0.00 H new ATOM 0 HA SER A 115 3.636 19.192 -0.798 1.00 0.00 H new ATOM 0 HB2 SER A 115 4.936 19.173 -2.863 1.00 0.00 H new ATOM 0 HB3 SER A 115 4.495 20.825 -2.479 1.00 0.00 H new ATOM 0 HG SER A 115 6.950 19.865 -1.463 1.00 0.00 H new ATOM 1781 N VAL A 116 4.947 17.214 -0.132 1.00 0.00 N ATOM 1782 CA VAL A 116 5.675 16.035 0.320 1.00 0.00 C ATOM 1783 C VAL A 116 5.626 14.925 -0.725 1.00 0.00 C ATOM 1784 O VAL A 116 4.559 14.391 -1.027 1.00 0.00 O ATOM 1785 CB VAL A 116 5.108 15.499 1.648 1.00 0.00 C ATOM 1786 CG1 VAL A 116 5.860 14.252 2.085 1.00 0.00 C ATOM 1787 CG2 VAL A 116 5.168 16.573 2.724 1.00 0.00 C ATOM 0 H VAL A 116 3.958 17.052 -0.324 1.00 0.00 H new ATOM 0 HA VAL A 116 6.710 16.342 0.473 1.00 0.00 H new ATOM 0 HB VAL A 116 4.063 15.228 1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.445 13.888 3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 116 5.760 13.481 1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.914 14.492 2.222 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.763 16.178 3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.204 16.876 2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.580 17.436 2.410 1.00 0.00 H new ATOM 1797 N GLN A 117 6.788 14.585 -1.274 1.00 0.00 N ATOM 1798 CA GLN A 117 6.877 13.539 -2.286 1.00 0.00 C ATOM 1799 C GLN A 117 8.012 12.570 -1.969 1.00 0.00 C ATOM 1800 O GLN A 117 9.183 12.883 -2.179 1.00 0.00 O ATOM 1801 CB GLN A 117 7.088 14.155 -3.669 1.00 0.00 C ATOM 1802 CG GLN A 117 7.346 13.128 -4.760 1.00 0.00 C ATOM 1803 CD GLN A 117 7.661 13.765 -6.099 1.00 0.00 C ATOM 1804 OE1 GLN A 117 6.766 14.010 -6.909 1.00 0.00 O ATOM 1805 NE2 GLN A 117 8.938 14.038 -6.339 1.00 0.00 N ATOM 0 H GLN A 117 7.680 15.018 -1.035 1.00 0.00 H new ATOM 0 HA GLN A 117 5.939 12.984 -2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 117 6.208 14.741 -3.934 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.930 14.846 -3.625 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.177 12.488 -4.462 1.00 0.00 H new ATOM 0 HG3 GLN A 117 6.471 12.487 -4.864 1.00 0.00 H new ATOM 0 HE21 GLN A 117 9.647 13.818 -5.639 1.00 0.00 H new ATOM 0 HE22 GLN A 117 9.210 14.468 -7.223 1.00 0.00 H new ATOM 1814 N GLU A 118 7.655 11.394 -1.462 1.00 0.00 N ATOM 1815 CA GLU A 118 8.645 10.380 -1.116 1.00 0.00 C ATOM 1816 C GLU A 118 8.322 9.051 -1.792 1.00 0.00 C ATOM 1817 O GLU A 118 7.247 8.485 -1.590 1.00 0.00 O ATOM 1818 CB GLU A 118 8.705 10.192 0.401 1.00 0.00 C ATOM 1819 CG GLU A 118 9.233 11.408 1.145 1.00 0.00 C ATOM 1820 CD GLU A 118 10.734 11.571 1.006 1.00 0.00 C ATOM 1821 OE1 GLU A 118 11.196 11.874 -0.114 1.00 0.00 O ATOM 1822 OE2 GLU A 118 11.447 11.394 2.016 1.00 0.00 O ATOM 0 H GLU A 118 6.689 11.120 -1.282 1.00 0.00 H new ATOM 0 HA GLU A 118 9.617 10.721 -1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.706 9.957 0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.339 9.335 0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 118 8.738 12.303 0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 118 8.977 11.323 2.201 1.00 0.00 H new ATOM 1829 N ILE A 119 9.260 8.559 -2.594 1.00 0.00 N ATOM 1830 CA ILE A 119 9.075 7.297 -3.300 1.00 0.00 C ATOM 1831 C ILE A 119 10.075 6.249 -2.821 1.00 0.00 C ATOM 1832 O ILE A 119 11.282 6.490 -2.800 1.00 0.00 O ATOM 1833 CB ILE A 119 9.225 7.475 -4.822 1.00 0.00 C ATOM 1834 CG1 ILE A 119 8.214 8.500 -5.339 1.00 0.00 C ATOM 1835 CG2 ILE A 119 9.047 6.141 -5.531 1.00 0.00 C ATOM 1836 CD1 ILE A 119 8.648 9.934 -5.135 1.00 0.00 C ATOM 0 H ILE A 119 10.155 9.015 -2.771 1.00 0.00 H new ATOM 0 HA ILE A 119 8.062 6.958 -3.081 1.00 0.00 H new ATOM 0 HB ILE A 119 10.228 7.845 -5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.046 8.328 -6.402 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.260 8.343 -4.836 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.156 6.283 -6.606 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.803 5.438 -5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 119 8.055 5.744 -5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.883 10.605 -5.525 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.788 10.124 -4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.586 10.109 -5.662 1.00 0.00 H new ATOM 1848 N PHE A 120 9.564 5.083 -2.439 1.00 0.00 N ATOM 1849 CA PHE A 120 10.411 3.997 -1.961 1.00 0.00 C ATOM 1850 C PHE A 120 9.869 2.644 -2.414 1.00 0.00 C ATOM 1851 O PHE A 120 8.712 2.532 -2.818 1.00 0.00 O ATOM 1852 CB PHE A 120 10.512 4.034 -0.435 1.00 0.00 C ATOM 1853 CG PHE A 120 9.181 3.952 0.256 1.00 0.00 C ATOM 1854 CD1 PHE A 120 8.534 2.735 0.400 1.00 0.00 C ATOM 1855 CD2 PHE A 120 8.576 5.091 0.761 1.00 0.00 C ATOM 1856 CE1 PHE A 120 7.309 2.656 1.035 1.00 0.00 C ATOM 1857 CE2 PHE A 120 7.352 5.018 1.398 1.00 0.00 C ATOM 1858 CZ PHE A 120 6.717 3.799 1.534 1.00 0.00 C ATOM 0 H PHE A 120 8.567 4.866 -2.451 1.00 0.00 H new ATOM 0 HA PHE A 120 11.405 4.131 -2.387 1.00 0.00 H new ATOM 0 HB2 PHE A 120 11.138 3.207 -0.100 1.00 0.00 H new ATOM 0 HB3 PHE A 120 11.012 4.954 -0.134 1.00 0.00 H new ATOM 0 HD1 PHE A 120 8.992 1.838 0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 120 9.067 6.047 0.656 1.00 0.00 H new ATOM 0 HE1 PHE A 120 6.815 1.701 1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.892 5.913 1.789 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.759 3.740 2.030 1.00 0.00 H new ATOM 1868 N GLU A 121 10.714 1.620 -2.342 1.00 0.00 N ATOM 1869 CA GLU A 121 10.319 0.276 -2.746 1.00 0.00 C ATOM 1870 C GLU A 121 10.389 -0.689 -1.566 1.00 0.00 C ATOM 1871 O GLU A 121 11.361 -0.695 -0.811 1.00 0.00 O ATOM 1872 CB GLU A 121 11.216 -0.224 -3.881 1.00 0.00 C ATOM 1873 CG GLU A 121 10.970 0.479 -5.205 1.00 0.00 C ATOM 1874 CD GLU A 121 11.756 -0.136 -6.347 1.00 0.00 C ATOM 1875 OE1 GLU A 121 12.886 -0.607 -6.102 1.00 0.00 O ATOM 1876 OE2 GLU A 121 11.242 -0.146 -7.485 1.00 0.00 O ATOM 0 H GLU A 121 11.675 1.696 -2.008 1.00 0.00 H new ATOM 0 HA GLU A 121 9.288 0.318 -3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 121 12.259 -0.088 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 121 11.058 -1.294 -4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 121 9.906 0.442 -5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 121 11.239 1.531 -5.109 1.00 0.00 H new ATOM 1883 N VAL A 122 9.350 -1.504 -1.413 1.00 0.00 N ATOM 1884 CA VAL A 122 9.292 -2.473 -0.326 1.00 0.00 C ATOM 1885 C VAL A 122 10.128 -3.707 -0.645 1.00 0.00 C ATOM 1886 O VAL A 122 9.678 -4.608 -1.352 1.00 0.00 O ATOM 1887 CB VAL A 122 7.843 -2.909 -0.038 1.00 0.00 C ATOM 1888 CG1 VAL A 122 7.788 -3.804 1.190 1.00 0.00 C ATOM 1889 CG2 VAL A 122 6.946 -1.693 0.138 1.00 0.00 C ATOM 0 H VAL A 122 8.537 -1.512 -2.029 1.00 0.00 H new ATOM 0 HA VAL A 122 9.698 -1.981 0.558 1.00 0.00 H new ATOM 0 HB VAL A 122 7.478 -3.481 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 122 6.756 -4.102 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.397 -4.692 1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.171 -3.261 2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.926 -2.020 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.307 -1.092 0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 122 6.961 -1.095 -0.773 1.00 0.00 H new ATOM 1899 N ASN A 123 11.348 -3.742 -0.118 1.00 0.00 N ATOM 1900 CA ASN A 123 12.248 -4.866 -0.347 1.00 0.00 C ATOM 1901 C ASN A 123 12.181 -5.861 0.808 1.00 0.00 C ATOM 1902 O ASN A 123 12.624 -7.002 0.684 1.00 0.00 O ATOM 1903 CB ASN A 123 13.684 -4.369 -0.524 1.00 0.00 C ATOM 1904 CG ASN A 123 14.189 -3.617 0.692 1.00 0.00 C ATOM 1905 OD1 ASN A 123 14.055 -2.396 0.781 1.00 0.00 O ATOM 1906 ND2 ASN A 123 14.774 -4.344 1.636 1.00 0.00 N ATOM 0 H ASN A 123 11.736 -3.005 0.471 1.00 0.00 H new ATOM 0 HA ASN A 123 11.931 -5.373 -1.259 1.00 0.00 H new ATOM 0 HB2 ASN A 123 14.338 -5.219 -0.720 1.00 0.00 H new ATOM 0 HB3 ASN A 123 13.736 -3.719 -1.397 1.00 0.00 H new ATOM 0 HD21 ASN A 123 15.134 -3.893 2.477 1.00 0.00 H new ATOM 0 HD22 ASN A 123 14.863 -5.353 1.520 1.00 0.00 H new ATOM 1913 N ASN A 124 11.623 -5.419 1.930 1.00 0.00 N ATOM 1914 CA ASN A 124 11.498 -6.270 3.108 1.00 0.00 C ATOM 1915 C ASN A 124 10.147 -6.979 3.126 1.00 0.00 C ATOM 1916 O ASN A 124 9.508 -7.095 4.173 1.00 0.00 O ATOM 1917 CB ASN A 124 11.668 -5.441 4.383 1.00 0.00 C ATOM 1918 CG ASN A 124 12.167 -6.271 5.550 1.00 0.00 C ATOM 1919 OD1 ASN A 124 13.118 -7.041 5.416 1.00 0.00 O ATOM 1920 ND2 ASN A 124 11.525 -6.116 6.702 1.00 0.00 N ATOM 0 H ASN A 124 11.250 -4.477 2.049 1.00 0.00 H new ATOM 0 HA ASN A 124 12.284 -7.024 3.065 1.00 0.00 H new ATOM 0 HB2 ASN A 124 12.368 -4.628 4.194 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.714 -4.985 4.647 1.00 0.00 H new ATOM 0 HD21 ASN A 124 11.815 -6.647 7.523 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.742 -5.466 6.766 1.00 0.00 H new ATOM 1927 N LEU A 125 9.718 -7.451 1.961 1.00 0.00 N ATOM 1928 CA LEU A 125 8.442 -8.150 1.842 1.00 0.00 C ATOM 1929 C LEU A 125 8.498 -9.506 2.537 1.00 0.00 C ATOM 1930 O LEU A 125 9.564 -10.092 2.726 1.00 0.00 O ATOM 1931 CB LEU A 125 8.075 -8.334 0.368 1.00 0.00 C ATOM 1932 CG LEU A 125 7.490 -7.109 -0.336 1.00 0.00 C ATOM 1933 CD1 LEU A 125 7.519 -7.296 -1.845 1.00 0.00 C ATOM 1934 CD2 LEU A 125 6.070 -6.846 0.144 1.00 0.00 C ATOM 0 H LEU A 125 10.234 -7.363 1.086 1.00 0.00 H new ATOM 0 HA LEU A 125 7.677 -7.545 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 125 8.969 -8.646 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.356 -9.150 0.292 1.00 0.00 H new ATOM 0 HG LEU A 125 8.103 -6.243 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 125 7.099 -6.414 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 125 8.549 -7.435 -2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 125 6.930 -8.173 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.669 -5.971 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.446 -7.712 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 125 6.077 -6.667 1.219 1.00 0.00 H new ATOM 1946 N PRO A 126 7.321 -10.020 2.926 1.00 0.00 N ATOM 1947 CA PRO A 126 7.209 -11.314 3.605 1.00 0.00 C ATOM 1948 C PRO A 126 7.524 -12.484 2.678 1.00 0.00 C ATOM 1949 O PRO A 126 7.600 -12.321 1.460 1.00 0.00 O ATOM 1950 CB PRO A 126 5.743 -11.359 4.042 1.00 0.00 C ATOM 1951 CG PRO A 126 5.034 -10.465 3.085 1.00 0.00 C ATOM 1952 CD PRO A 126 6.011 -9.377 2.734 1.00 0.00 C ATOM 0 HA PRO A 126 7.917 -11.405 4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 126 5.349 -12.374 4.001 1.00 0.00 H new ATOM 0 HB3 PRO A 126 5.625 -11.012 5.069 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.724 -11.013 2.195 1.00 0.00 H new ATOM 0 HG3 PRO A 126 4.132 -10.050 3.534 1.00 0.00 H new ATOM 0 HD2 PRO A 126 5.878 -9.034 1.708 1.00 0.00 H new ATOM 0 HD3 PRO A 126 5.892 -8.507 3.379 1.00 0.00 H new ATOM 1960 N VAL A 127 7.706 -13.664 3.262 1.00 0.00 N ATOM 1961 CA VAL A 127 8.011 -14.861 2.488 1.00 0.00 C ATOM 1962 C VAL A 127 6.795 -15.774 2.385 1.00 0.00 C ATOM 1963 O VAL A 127 6.614 -16.472 1.389 1.00 0.00 O ATOM 1964 CB VAL A 127 9.180 -15.649 3.110 1.00 0.00 C ATOM 1965 CG1 VAL A 127 10.498 -14.929 2.868 1.00 0.00 C ATOM 1966 CG2 VAL A 127 8.945 -15.862 4.598 1.00 0.00 C ATOM 0 H VAL A 127 7.647 -13.816 4.269 1.00 0.00 H new ATOM 0 HA VAL A 127 8.297 -14.528 1.490 1.00 0.00 H new ATOM 0 HB VAL A 127 9.234 -16.626 2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 127 11.312 -15.500 3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 127 10.668 -14.832 1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 127 10.460 -13.938 3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.780 -16.420 5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 127 8.865 -14.896 5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 127 8.022 -16.423 4.744 1.00 0.00 H new ATOM 1976 N GLU A 128 5.964 -15.763 3.423 1.00 0.00 N ATOM 1977 CA GLU A 128 4.764 -16.591 3.449 1.00 0.00 C ATOM 1978 C GLU A 128 3.988 -16.465 2.141 1.00 0.00 C ATOM 1979 O GLU A 128 3.299 -17.396 1.724 1.00 0.00 O ATOM 1980 CB GLU A 128 3.870 -16.195 4.626 1.00 0.00 C ATOM 1981 CG GLU A 128 3.034 -17.342 5.167 1.00 0.00 C ATOM 1982 CD GLU A 128 1.875 -16.867 6.023 1.00 0.00 C ATOM 1983 OE1 GLU A 128 2.124 -16.144 7.010 1.00 0.00 O ATOM 1984 OE2 GLU A 128 0.720 -17.218 5.704 1.00 0.00 O ATOM 0 H GLU A 128 6.100 -15.190 4.256 1.00 0.00 H new ATOM 0 HA GLU A 128 5.072 -17.630 3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 128 4.493 -15.801 5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 128 3.206 -15.389 4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.648 -17.930 4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 128 3.669 -18.003 5.757 1.00 0.00 H new ATOM 1991 N SER A 129 4.105 -15.307 1.499 1.00 0.00 N ATOM 1992 CA SER A 129 3.411 -15.057 0.241 1.00 0.00 C ATOM 1993 C SER A 129 3.688 -16.172 -0.763 1.00 0.00 C ATOM 1994 O SER A 129 2.799 -16.588 -1.505 1.00 0.00 O ATOM 1995 CB SER A 129 3.841 -13.710 -0.343 1.00 0.00 C ATOM 1996 OG SER A 129 5.244 -13.662 -0.535 1.00 0.00 O ATOM 0 H SER A 129 4.674 -14.527 1.829 1.00 0.00 H new ATOM 0 HA SER A 129 2.340 -15.032 0.443 1.00 0.00 H new ATOM 0 HB2 SER A 129 3.335 -13.544 -1.294 1.00 0.00 H new ATOM 0 HB3 SER A 129 3.535 -12.906 0.326 1.00 0.00 H new ATOM 0 HG SER A 129 5.493 -12.792 -0.910 1.00 0.00 H new ATOM 2002 N TRP A 130 4.927 -16.650 -0.779 1.00 0.00 N ATOM 2003 CA TRP A 130 5.322 -17.716 -1.692 1.00 0.00 C ATOM 2004 C TRP A 130 5.604 -19.007 -0.931 1.00 0.00 C ATOM 2005 O TRP A 130 5.168 -20.084 -1.337 1.00 0.00 O ATOM 2006 CB TRP A 130 6.559 -17.300 -2.491 1.00 0.00 C ATOM 2007 CG TRP A 130 7.719 -16.908 -1.627 1.00 0.00 C ATOM 2008 CD1 TRP A 130 8.038 -15.649 -1.204 1.00 0.00 C ATOM 2009 CD2 TRP A 130 8.716 -17.780 -1.084 1.00 0.00 C ATOM 2010 NE1 TRP A 130 9.173 -15.686 -0.430 1.00 0.00 N ATOM 2011 CE2 TRP A 130 9.608 -16.982 -0.340 1.00 0.00 C ATOM 2012 CE3 TRP A 130 8.941 -19.158 -1.151 1.00 0.00 C ATOM 2013 CZ2 TRP A 130 10.705 -17.518 0.328 1.00 0.00 C ATOM 2014 CZ3 TRP A 130 10.031 -19.688 -0.487 1.00 0.00 C ATOM 2015 CH2 TRP A 130 10.901 -18.869 0.246 1.00 0.00 C ATOM 0 H TRP A 130 5.675 -16.317 -0.171 1.00 0.00 H new ATOM 0 HA TRP A 130 4.497 -17.895 -2.381 1.00 0.00 H new ATOM 0 HB2 TRP A 130 6.859 -18.124 -3.138 1.00 0.00 H new ATOM 0 HB3 TRP A 130 6.299 -16.464 -3.140 1.00 0.00 H new ATOM 0 HD1 TRP A 130 7.480 -14.756 -1.443 1.00 0.00 H new ATOM 0 HE1 TRP A 130 9.619 -14.879 0.007 1.00 0.00 H new ATOM 0 HE3 TRP A 130 8.275 -19.797 -1.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 11.378 -16.889 0.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 10.216 -20.751 -0.534 1.00 0.00 H new ATOM 0 HH2 TRP A 130 11.743 -19.314 0.756 1.00 0.00 H new ATOM 2026 N GLN A 131 6.335 -18.891 0.172 1.00 0.00 N ATOM 2027 CA GLN A 131 6.675 -20.050 0.989 1.00 0.00 C ATOM 2028 C GLN A 131 5.454 -20.937 1.209 1.00 0.00 C ATOM 2029 O GLN A 131 4.659 -20.702 2.120 1.00 0.00 O ATOM 2030 CB GLN A 131 7.245 -19.603 2.336 1.00 0.00 C ATOM 2031 CG GLN A 131 8.010 -20.695 3.066 1.00 0.00 C ATOM 2032 CD GLN A 131 8.802 -20.164 4.245 1.00 0.00 C ATOM 2033 OE1 GLN A 131 8.450 -20.401 5.401 1.00 0.00 O ATOM 2034 NE2 GLN A 131 9.879 -19.443 3.958 1.00 0.00 N ATOM 0 H GLN A 131 6.704 -18.006 0.521 1.00 0.00 H new ATOM 0 HA GLN A 131 7.431 -20.628 0.458 1.00 0.00 H new ATOM 0 HB2 GLN A 131 7.907 -18.752 2.176 1.00 0.00 H new ATOM 0 HB3 GLN A 131 6.428 -19.257 2.970 1.00 0.00 H new ATOM 0 HG2 GLN A 131 7.309 -21.453 3.416 1.00 0.00 H new ATOM 0 HG3 GLN A 131 8.689 -21.186 2.369 1.00 0.00 H new ATOM 0 HE21 GLN A 131 10.134 -19.271 2.985 1.00 0.00 H new ATOM 0 HE22 GLN A 131 10.452 -19.061 4.710 1.00 0.00 H new TER 2043 GLN A 131