USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 563 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 56 SER OG : rot 160:sc= 0.216 USER MOD Set 1.2: A 59 THR OG1 : rot -170:sc= -0.153 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0207 USER MOD Single : A 6 SER OG : rot 30:sc= 0.261 USER MOD Single : A 11 ASN : amide:sc= -1.79 K(o=-1.8,f=-8.3!) USER MOD Single : A 17 SER OG : rot 174:sc= 0.0473 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -116:sc= 0.14 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 40:sc= 0.843 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0825 USER MOD Single : A 53 LYS NZ :NH3+ -129:sc= 0.0202 (180deg=0) USER MOD Single : A 58 SER OG : rot -169:sc= 0.00343 USER MOD Single : A 63 SER OG : rot 170:sc= -0.0696 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot -173:sc= -1.37 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.148 USER MOD Single : A 78 SER OG : rot 39:sc= 0.0918 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.368 -35.514 -37.596 1.00 0.00 N ATOM 2 CA GLY A 1 1.278 -34.275 -38.346 1.00 0.00 C ATOM 3 C GLY A 1 1.135 -33.063 -37.448 1.00 0.00 C ATOM 4 O GLY A 1 0.189 -32.970 -36.666 1.00 0.00 O ATOM 0 H1 GLY A 1 1.464 -36.313 -38.255 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.197 -35.481 -36.969 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.507 -35.638 -37.026 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.169 -34.162 -38.964 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.425 -34.325 -39.023 1.00 0.00 H new ATOM 8 N SER A 2 2.077 -32.131 -37.558 1.00 0.00 N ATOM 9 CA SER A 2 2.054 -30.921 -36.745 1.00 0.00 C ATOM 10 C SER A 2 1.911 -29.680 -37.621 1.00 0.00 C ATOM 11 O SER A 2 2.658 -29.496 -38.582 1.00 0.00 O ATOM 12 CB SER A 2 3.329 -30.822 -35.905 1.00 0.00 C ATOM 13 OG SER A 2 3.163 -31.461 -34.650 1.00 0.00 O ATOM 0 H SER A 2 2.865 -32.191 -38.202 1.00 0.00 H new ATOM 0 HA SER A 2 1.192 -30.976 -36.080 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.159 -31.280 -36.443 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.587 -29.774 -35.752 1.00 0.00 H new ATOM 0 HG SER A 2 3.992 -31.386 -34.132 1.00 0.00 H new ATOM 19 N SER A 3 0.946 -28.832 -37.282 1.00 0.00 N ATOM 20 CA SER A 3 0.701 -27.610 -38.040 1.00 0.00 C ATOM 21 C SER A 3 0.057 -26.545 -37.158 1.00 0.00 C ATOM 22 O SER A 3 -0.714 -26.856 -36.251 1.00 0.00 O ATOM 23 CB SER A 3 -0.196 -27.902 -39.244 1.00 0.00 C ATOM 24 OG SER A 3 -1.533 -28.137 -38.839 1.00 0.00 O ATOM 0 H SER A 3 0.321 -28.968 -36.488 1.00 0.00 H new ATOM 0 HA SER A 3 1.660 -27.233 -38.395 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.165 -27.061 -39.937 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.183 -28.772 -39.781 1.00 0.00 H new ATOM 0 HG SER A 3 -2.086 -28.319 -39.627 1.00 0.00 H new ATOM 30 N GLY A 4 0.380 -25.284 -37.432 1.00 0.00 N ATOM 31 CA GLY A 4 -0.175 -24.191 -36.656 1.00 0.00 C ATOM 32 C GLY A 4 0.216 -24.261 -35.193 1.00 0.00 C ATOM 33 O GLY A 4 0.476 -25.341 -34.664 1.00 0.00 O ATOM 0 H GLY A 4 1.016 -25.001 -38.177 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.164 -23.243 -37.075 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.262 -24.205 -36.739 1.00 0.00 H new ATOM 37 N SER A 5 0.261 -23.105 -34.538 1.00 0.00 N ATOM 38 CA SER A 5 0.629 -23.039 -33.129 1.00 0.00 C ATOM 39 C SER A 5 -0.576 -23.325 -32.238 1.00 0.00 C ATOM 40 O SER A 5 -1.723 -23.174 -32.660 1.00 0.00 O ATOM 41 CB SER A 5 1.209 -21.663 -32.795 1.00 0.00 C ATOM 42 OG SER A 5 1.549 -21.571 -31.423 1.00 0.00 O ATOM 0 H SER A 5 0.047 -22.202 -34.961 1.00 0.00 H new ATOM 0 HA SER A 5 1.386 -23.800 -32.941 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.094 -21.480 -33.405 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.484 -20.889 -33.046 1.00 0.00 H new ATOM 0 HG SER A 5 1.919 -20.683 -31.236 1.00 0.00 H new ATOM 48 N SER A 6 -0.307 -23.739 -31.004 1.00 0.00 N ATOM 49 CA SER A 6 -1.369 -24.050 -30.054 1.00 0.00 C ATOM 50 C SER A 6 -0.892 -23.841 -28.620 1.00 0.00 C ATOM 51 O SER A 6 0.088 -24.445 -28.185 1.00 0.00 O ATOM 52 CB SER A 6 -1.843 -25.492 -30.241 1.00 0.00 C ATOM 53 OG SER A 6 -0.762 -26.403 -30.134 1.00 0.00 O ATOM 0 H SER A 6 0.637 -23.867 -30.639 1.00 0.00 H new ATOM 0 HA SER A 6 -2.203 -23.374 -30.244 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.598 -25.730 -29.492 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.317 -25.599 -31.217 1.00 0.00 H new ATOM 0 HG SER A 6 -0.084 -26.037 -29.528 1.00 0.00 H new ATOM 59 N GLY A 7 -1.594 -22.981 -27.889 1.00 0.00 N ATOM 60 CA GLY A 7 -1.229 -22.706 -26.511 1.00 0.00 C ATOM 61 C GLY A 7 -1.448 -21.256 -26.131 1.00 0.00 C ATOM 62 O GLY A 7 -1.134 -20.338 -26.889 1.00 0.00 O ATOM 0 H GLY A 7 -2.409 -22.469 -28.226 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.815 -23.344 -25.849 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.181 -22.964 -26.358 1.00 0.00 H new ATOM 66 N PRO A 8 -2.003 -21.032 -24.930 1.00 0.00 N ATOM 67 CA PRO A 8 -2.278 -19.684 -24.424 1.00 0.00 C ATOM 68 C PRO A 8 -1.003 -18.920 -24.086 1.00 0.00 C ATOM 69 O PRO A 8 0.105 -19.398 -24.337 1.00 0.00 O ATOM 70 CB PRO A 8 -3.099 -19.942 -23.158 1.00 0.00 C ATOM 71 CG PRO A 8 -2.697 -21.307 -22.717 1.00 0.00 C ATOM 72 CD PRO A 8 -2.403 -22.078 -23.974 1.00 0.00 C ATOM 0 HA PRO A 8 -2.790 -19.068 -25.163 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.886 -19.199 -22.390 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.168 -19.891 -23.363 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.821 -21.266 -22.070 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.493 -21.783 -22.145 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.608 -22.808 -23.821 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.278 -22.628 -24.322 1.00 0.00 H new ATOM 80 N LEU A 9 -1.164 -17.732 -23.515 1.00 0.00 N ATOM 81 CA LEU A 9 -0.025 -16.901 -23.142 1.00 0.00 C ATOM 82 C LEU A 9 0.417 -17.194 -21.712 1.00 0.00 C ATOM 83 O LEU A 9 -0.349 -17.697 -20.890 1.00 0.00 O ATOM 84 CB LEU A 9 -0.379 -15.420 -23.285 1.00 0.00 C ATOM 85 CG LEU A 9 -0.135 -14.801 -24.662 1.00 0.00 C ATOM 86 CD1 LEU A 9 -0.758 -13.417 -24.744 1.00 0.00 C ATOM 87 CD2 LEU A 9 1.356 -14.736 -24.960 1.00 0.00 C ATOM 0 H LEU A 9 -2.073 -17.322 -23.300 1.00 0.00 H new ATOM 0 HA LEU A 9 0.800 -17.137 -23.814 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.432 -15.293 -23.033 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.195 -14.857 -22.549 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.608 -15.434 -25.413 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.574 -12.993 -25.731 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.832 -13.491 -24.576 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.315 -12.773 -23.984 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.511 -14.293 -25.944 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.852 -14.126 -24.205 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.774 -15.742 -24.945 1.00 0.00 H new ATOM 99 N PRO A 10 1.682 -16.869 -21.405 1.00 0.00 N ATOM 100 CA PRO A 10 2.254 -17.086 -20.072 1.00 0.00 C ATOM 101 C PRO A 10 1.656 -16.151 -19.026 1.00 0.00 C ATOM 102 O PRO A 10 2.051 -16.175 -17.861 1.00 0.00 O ATOM 103 CB PRO A 10 3.741 -16.785 -20.271 1.00 0.00 C ATOM 104 CG PRO A 10 3.788 -15.859 -21.438 1.00 0.00 C ATOM 105 CD PRO A 10 2.651 -16.266 -22.335 1.00 0.00 C ATOM 0 HA PRO A 10 2.055 -18.092 -19.701 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.174 -16.325 -19.383 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.307 -17.696 -20.466 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.681 -14.822 -21.118 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.743 -15.935 -21.959 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.226 -15.410 -22.859 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.974 -16.977 -23.096 1.00 0.00 H new ATOM 113 N ASN A 11 0.703 -15.328 -19.450 1.00 0.00 N ATOM 114 CA ASN A 11 0.051 -14.384 -18.549 1.00 0.00 C ATOM 115 C ASN A 11 -0.087 -14.976 -17.150 1.00 0.00 C ATOM 116 O ASN A 11 -0.469 -16.132 -16.972 1.00 0.00 O ATOM 117 CB ASN A 11 -1.327 -13.999 -19.091 1.00 0.00 C ATOM 118 CG ASN A 11 -1.812 -12.670 -18.545 1.00 0.00 C ATOM 119 OD1 ASN A 11 -2.089 -12.539 -17.352 1.00 0.00 O ATOM 120 ND2 ASN A 11 -1.917 -11.675 -19.418 1.00 0.00 N ATOM 0 H ASN A 11 0.365 -15.295 -20.412 1.00 0.00 H new ATOM 0 HA ASN A 11 0.672 -13.490 -18.487 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.285 -13.948 -20.179 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.046 -14.778 -18.835 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.238 -10.757 -19.109 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.677 -11.828 -20.397 1.00 0.00 H new ATOM 127 N PRO A 12 0.230 -14.163 -16.130 1.00 0.00 N ATOM 128 CA PRO A 12 0.149 -14.584 -14.728 1.00 0.00 C ATOM 129 C PRO A 12 -1.291 -14.768 -14.261 1.00 0.00 C ATOM 130 O PRO A 12 -1.540 -15.091 -13.100 1.00 0.00 O ATOM 131 CB PRO A 12 0.812 -13.430 -13.973 1.00 0.00 C ATOM 132 CG PRO A 12 0.638 -12.246 -14.861 1.00 0.00 C ATOM 133 CD PRO A 12 0.693 -12.772 -16.268 1.00 0.00 C ATOM 0 HA PRO A 12 0.627 -15.550 -14.564 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.342 -13.270 -13.003 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.866 -13.633 -13.786 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.313 -11.749 -14.667 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.423 -11.510 -14.689 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.051 -12.199 -16.937 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.702 -12.723 -16.676 1.00 0.00 H new ATOM 141 N GLU A 13 -2.235 -14.561 -15.174 1.00 0.00 N ATOM 142 CA GLU A 13 -3.651 -14.704 -14.854 1.00 0.00 C ATOM 143 C GLU A 13 -3.908 -16.002 -14.093 1.00 0.00 C ATOM 144 O GLU A 13 -3.958 -17.080 -14.682 1.00 0.00 O ATOM 145 CB GLU A 13 -4.491 -14.675 -16.132 1.00 0.00 C ATOM 146 CG GLU A 13 -5.948 -14.312 -15.894 1.00 0.00 C ATOM 147 CD GLU A 13 -6.650 -15.290 -14.973 1.00 0.00 C ATOM 148 OE1 GLU A 13 -7.134 -16.329 -15.468 1.00 0.00 O ATOM 149 OE2 GLU A 13 -6.715 -15.016 -13.756 1.00 0.00 O ATOM 0 H GLU A 13 -2.045 -14.294 -16.140 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.940 -13.867 -14.219 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.055 -13.957 -16.827 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.442 -15.653 -16.611 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.004 -13.311 -15.466 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.471 -14.279 -16.850 1.00 0.00 H new ATOM 156 N GLY A 14 -4.069 -15.888 -12.778 1.00 0.00 N ATOM 157 CA GLY A 14 -4.317 -17.058 -11.957 1.00 0.00 C ATOM 158 C GLY A 14 -3.799 -16.895 -10.542 1.00 0.00 C ATOM 159 O GLY A 14 -4.507 -17.183 -9.576 1.00 0.00 O ATOM 0 H GLY A 14 -4.032 -15.006 -12.267 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.388 -17.257 -11.928 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.844 -17.926 -12.416 1.00 0.00 H new ATOM 163 N LEU A 15 -2.559 -16.434 -10.417 1.00 0.00 N ATOM 164 CA LEU A 15 -1.945 -16.234 -9.109 1.00 0.00 C ATOM 165 C LEU A 15 -2.273 -14.850 -8.559 1.00 0.00 C ATOM 166 O LEU A 15 -1.844 -13.835 -9.108 1.00 0.00 O ATOM 167 CB LEU A 15 -0.428 -16.411 -9.204 1.00 0.00 C ATOM 168 CG LEU A 15 0.091 -17.842 -9.061 1.00 0.00 C ATOM 169 CD1 LEU A 15 1.473 -17.974 -9.683 1.00 0.00 C ATOM 170 CD2 LEU A 15 0.122 -18.255 -7.596 1.00 0.00 C ATOM 0 H LEU A 15 -1.959 -16.192 -11.206 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.350 -16.981 -8.427 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.096 -16.020 -10.166 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.038 -15.798 -8.433 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.589 -18.509 -9.592 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.826 -18.999 -9.571 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.421 -17.721 -10.742 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.164 -17.296 -9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.494 -19.276 -7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.779 -17.584 -7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.885 -18.201 -7.181 1.00 0.00 H new ATOM 182 N ASP A 16 -3.035 -14.818 -7.471 1.00 0.00 N ATOM 183 CA ASP A 16 -3.418 -13.558 -6.844 1.00 0.00 C ATOM 184 C ASP A 16 -2.359 -13.104 -5.844 1.00 0.00 C ATOM 185 O ASP A 16 -1.581 -13.913 -5.339 1.00 0.00 O ATOM 186 CB ASP A 16 -4.770 -13.704 -6.142 1.00 0.00 C ATOM 187 CG ASP A 16 -4.788 -14.854 -5.155 1.00 0.00 C ATOM 188 OD1 ASP A 16 -4.404 -14.640 -3.986 1.00 0.00 O ATOM 189 OD2 ASP A 16 -5.188 -15.969 -5.551 1.00 0.00 O ATOM 0 H ASP A 16 -3.399 -15.649 -7.005 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.502 -12.803 -7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.007 -12.777 -5.620 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.549 -13.857 -6.889 1.00 0.00 H new ATOM 194 N SER A 17 -2.334 -11.805 -5.565 1.00 0.00 N ATOM 195 CA SER A 17 -1.367 -11.242 -4.630 1.00 0.00 C ATOM 196 C SER A 17 -2.072 -10.614 -3.431 1.00 0.00 C ATOM 197 O SER A 17 -3.217 -10.174 -3.532 1.00 0.00 O ATOM 198 CB SER A 17 -0.498 -10.196 -5.330 1.00 0.00 C ATOM 199 OG SER A 17 0.501 -9.696 -4.458 1.00 0.00 O ATOM 0 H SER A 17 -2.973 -11.122 -5.973 1.00 0.00 H new ATOM 0 HA SER A 17 -0.731 -12.052 -4.272 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.029 -10.638 -6.209 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.123 -9.375 -5.680 1.00 0.00 H new ATOM 0 HG SER A 17 1.100 -9.100 -4.954 1.00 0.00 H new ATOM 205 N ASP A 18 -1.380 -10.578 -2.298 1.00 0.00 N ATOM 206 CA ASP A 18 -1.938 -10.003 -1.080 1.00 0.00 C ATOM 207 C ASP A 18 -2.143 -8.499 -1.232 1.00 0.00 C ATOM 208 O ASP A 18 -1.272 -7.791 -1.739 1.00 0.00 O ATOM 209 CB ASP A 18 -1.019 -10.287 0.110 1.00 0.00 C ATOM 210 CG ASP A 18 -1.258 -11.658 0.712 1.00 0.00 C ATOM 211 OD1 ASP A 18 -0.651 -12.634 0.223 1.00 0.00 O ATOM 212 OD2 ASP A 18 -2.050 -11.754 1.672 1.00 0.00 O ATOM 0 H ASP A 18 -0.432 -10.940 -2.198 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.908 -10.467 -0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.020 -10.210 -0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.174 -9.526 0.875 1.00 0.00 H new ATOM 217 N PHE A 19 -3.300 -8.018 -0.791 1.00 0.00 N ATOM 218 CA PHE A 19 -3.622 -6.598 -0.881 1.00 0.00 C ATOM 219 C PHE A 19 -3.513 -5.929 0.486 1.00 0.00 C ATOM 220 O PHE A 19 -3.737 -6.561 1.519 1.00 0.00 O ATOM 221 CB PHE A 19 -5.031 -6.407 -1.444 1.00 0.00 C ATOM 222 CG PHE A 19 -5.246 -7.087 -2.766 1.00 0.00 C ATOM 223 CD1 PHE A 19 -4.370 -6.876 -3.819 1.00 0.00 C ATOM 224 CD2 PHE A 19 -6.324 -7.936 -2.956 1.00 0.00 C ATOM 225 CE1 PHE A 19 -4.564 -7.501 -5.036 1.00 0.00 C ATOM 226 CE2 PHE A 19 -6.523 -8.564 -4.171 1.00 0.00 C ATOM 227 CZ PHE A 19 -5.643 -8.345 -5.213 1.00 0.00 C ATOM 0 H PHE A 19 -4.031 -8.590 -0.368 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.904 -6.130 -1.554 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.756 -6.790 -0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.227 -5.341 -1.557 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.526 -6.215 -3.687 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.017 -8.109 -2.146 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.873 -7.330 -5.848 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.366 -9.226 -4.306 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.798 -8.833 -6.164 1.00 0.00 H new ATOM 237 N LEU A 20 -3.167 -4.646 0.484 1.00 0.00 N ATOM 238 CA LEU A 20 -3.027 -3.889 1.724 1.00 0.00 C ATOM 239 C LEU A 20 -3.746 -2.548 1.626 1.00 0.00 C ATOM 240 O LEU A 20 -3.370 -1.687 0.832 1.00 0.00 O ATOM 241 CB LEU A 20 -1.548 -3.666 2.044 1.00 0.00 C ATOM 242 CG LEU A 20 -0.634 -4.880 1.873 1.00 0.00 C ATOM 243 CD1 LEU A 20 0.827 -4.462 1.946 1.00 0.00 C ATOM 244 CD2 LEU A 20 -0.942 -5.933 2.927 1.00 0.00 C ATOM 0 H LEU A 20 -2.978 -4.108 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.483 -4.467 2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.176 -2.864 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.468 -3.318 3.074 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.819 -5.314 0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.463 -5.339 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.040 -3.744 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.026 -4.003 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.282 -6.789 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.786 -5.511 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.979 -6.255 2.828 1.00 0.00 H new ATOM 256 N ALA A 21 -4.782 -2.377 2.442 1.00 0.00 N ATOM 257 CA ALA A 21 -5.551 -1.139 2.451 1.00 0.00 C ATOM 258 C ALA A 21 -4.908 -0.100 3.363 1.00 0.00 C ATOM 259 O ALA A 21 -4.744 -0.328 4.562 1.00 0.00 O ATOM 260 CB ALA A 21 -6.984 -1.411 2.884 1.00 0.00 C ATOM 0 H ALA A 21 -5.107 -3.081 3.105 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.560 -0.738 1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.547 -0.478 2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.447 -2.112 2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.986 -1.838 3.887 1.00 0.00 H new ATOM 266 N VAL A 22 -4.545 1.043 2.789 1.00 0.00 N ATOM 267 CA VAL A 22 -3.921 2.117 3.551 1.00 0.00 C ATOM 268 C VAL A 22 -4.790 2.529 4.734 1.00 0.00 C ATOM 269 O VAL A 22 -5.826 3.172 4.563 1.00 0.00 O ATOM 270 CB VAL A 22 -3.657 3.351 2.668 1.00 0.00 C ATOM 271 CG1 VAL A 22 -3.057 4.480 3.493 1.00 0.00 C ATOM 272 CG2 VAL A 22 -2.746 2.988 1.504 1.00 0.00 C ATOM 0 H VAL A 22 -4.673 1.248 1.798 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.970 1.732 3.919 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.608 3.696 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.877 5.343 2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.749 4.756 4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.114 4.150 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.570 3.872 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.795 2.617 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.219 2.215 0.899 1.00 0.00 H new ATOM 282 N LEU A 23 -4.360 2.155 5.934 1.00 0.00 N ATOM 283 CA LEU A 23 -5.099 2.486 7.148 1.00 0.00 C ATOM 284 C LEU A 23 -5.088 3.990 7.399 1.00 0.00 C ATOM 285 O LEU A 23 -6.057 4.552 7.910 1.00 0.00 O ATOM 286 CB LEU A 23 -4.500 1.752 8.349 1.00 0.00 C ATOM 287 CG LEU A 23 -4.527 0.225 8.284 1.00 0.00 C ATOM 288 CD1 LEU A 23 -3.372 -0.364 9.079 1.00 0.00 C ATOM 289 CD2 LEU A 23 -5.857 -0.308 8.798 1.00 0.00 C ATOM 0 H LEU A 23 -3.504 1.623 6.093 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.132 2.167 7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.465 2.072 8.466 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.034 2.067 9.245 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.416 -0.077 7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.408 -1.452 9.021 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.428 -0.009 8.666 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.452 -0.053 10.121 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.858 -1.397 8.744 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.999 0.004 9.833 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.668 0.086 8.186 1.00 0.00 H new ATOM 301 N SER A 24 -3.985 4.638 7.035 1.00 0.00 N ATOM 302 CA SER A 24 -3.847 6.077 7.222 1.00 0.00 C ATOM 303 C SER A 24 -2.808 6.652 6.264 1.00 0.00 C ATOM 304 O SER A 24 -1.680 6.165 6.189 1.00 0.00 O ATOM 305 CB SER A 24 -3.453 6.389 8.667 1.00 0.00 C ATOM 306 OG SER A 24 -3.544 7.778 8.932 1.00 0.00 O ATOM 0 H SER A 24 -3.175 4.189 6.609 1.00 0.00 H new ATOM 0 HA SER A 24 -4.810 6.541 7.007 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.102 5.842 9.350 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.435 6.046 8.852 1.00 0.00 H new ATOM 0 HG SER A 24 -3.289 7.951 9.862 1.00 0.00 H new ATOM 312 N ASP A 25 -3.197 7.692 5.535 1.00 0.00 N ATOM 313 CA ASP A 25 -2.300 8.335 4.582 1.00 0.00 C ATOM 314 C ASP A 25 -0.893 8.458 5.157 1.00 0.00 C ATOM 315 O ASP A 25 -0.714 8.861 6.306 1.00 0.00 O ATOM 316 CB ASP A 25 -2.832 9.719 4.203 1.00 0.00 C ATOM 317 CG ASP A 25 -2.403 10.792 5.184 1.00 0.00 C ATOM 318 OD1 ASP A 25 -1.197 11.114 5.223 1.00 0.00 O ATOM 319 OD2 ASP A 25 -3.274 11.311 5.913 1.00 0.00 O ATOM 0 H ASP A 25 -4.127 8.108 5.586 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.254 7.714 3.688 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.479 9.980 3.206 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.921 9.687 4.157 1.00 0.00 H new ATOM 324 N TYR A 26 0.103 8.105 4.351 1.00 0.00 N ATOM 325 CA TYR A 26 1.494 8.172 4.781 1.00 0.00 C ATOM 326 C TYR A 26 2.424 8.376 3.589 1.00 0.00 C ATOM 327 O TYR A 26 2.147 7.940 2.471 1.00 0.00 O ATOM 328 CB TYR A 26 1.880 6.896 5.531 1.00 0.00 C ATOM 329 CG TYR A 26 3.340 6.529 5.391 1.00 0.00 C ATOM 330 CD1 TYR A 26 3.869 6.158 4.161 1.00 0.00 C ATOM 331 CD2 TYR A 26 4.191 6.553 6.489 1.00 0.00 C ATOM 332 CE1 TYR A 26 5.203 5.822 4.028 1.00 0.00 C ATOM 333 CE2 TYR A 26 5.526 6.220 6.366 1.00 0.00 C ATOM 334 CZ TYR A 26 6.027 5.855 5.134 1.00 0.00 C ATOM 335 OH TYR A 26 7.356 5.521 5.007 1.00 0.00 O ATOM 0 H TYR A 26 -0.028 7.770 3.397 1.00 0.00 H new ATOM 0 HA TYR A 26 1.600 9.025 5.451 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.645 7.021 6.588 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.270 6.071 5.164 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.226 6.132 3.293 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.802 6.837 7.456 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.598 5.535 3.064 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.174 6.245 7.230 1.00 0.00 H new ATOM 0 HH TYR A 26 7.541 4.712 5.529 1.00 0.00 H new ATOM 345 N PRO A 27 3.555 9.054 3.831 1.00 0.00 N ATOM 346 CA PRO A 27 3.896 9.578 5.157 1.00 0.00 C ATOM 347 C PRO A 27 2.996 10.738 5.570 1.00 0.00 C ATOM 348 O PRO A 27 2.051 11.086 4.862 1.00 0.00 O ATOM 349 CB PRO A 27 5.341 10.055 4.990 1.00 0.00 C ATOM 350 CG PRO A 27 5.476 10.349 3.536 1.00 0.00 C ATOM 351 CD PRO A 27 4.589 9.362 2.829 1.00 0.00 C ATOM 0 HA PRO A 27 3.769 8.827 5.937 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.538 10.941 5.593 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.050 9.290 5.307 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.174 11.373 3.315 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.511 10.245 3.212 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.157 9.787 1.923 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.139 8.469 2.531 1.00 0.00 H new ATOM 359 N SER A 28 3.297 11.333 6.720 1.00 0.00 N ATOM 360 CA SER A 28 2.513 12.452 7.229 1.00 0.00 C ATOM 361 C SER A 28 2.796 13.721 6.431 1.00 0.00 C ATOM 362 O SER A 28 3.853 13.878 5.820 1.00 0.00 O ATOM 363 CB SER A 28 2.821 12.687 8.709 1.00 0.00 C ATOM 364 OG SER A 28 2.075 11.807 9.532 1.00 0.00 O ATOM 0 H SER A 28 4.078 11.059 7.316 1.00 0.00 H new ATOM 0 HA SER A 28 1.457 12.203 7.120 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.886 12.543 8.889 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.590 13.719 8.972 1.00 0.00 H new ATOM 0 HG SER A 28 2.291 11.976 10.473 1.00 0.00 H new ATOM 370 N PRO A 29 1.829 14.651 6.437 1.00 0.00 N ATOM 371 CA PRO A 29 1.950 15.924 5.720 1.00 0.00 C ATOM 372 C PRO A 29 2.981 16.851 6.354 1.00 0.00 C ATOM 373 O PRO A 29 3.169 17.983 5.908 1.00 0.00 O ATOM 374 CB PRO A 29 0.548 16.528 5.829 1.00 0.00 C ATOM 375 CG PRO A 29 -0.031 15.919 7.059 1.00 0.00 C ATOM 376 CD PRO A 29 0.543 14.532 7.145 1.00 0.00 C ATOM 0 HA PRO A 29 2.289 15.783 4.694 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.590 17.614 5.907 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.053 16.294 4.950 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.227 16.503 7.942 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.119 15.888 7.004 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.681 14.218 8.179 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.109 13.797 6.673 1.00 0.00 H new ATOM 384 N ASP A 30 3.646 16.364 7.396 1.00 0.00 N ATOM 385 CA ASP A 30 4.660 17.149 8.091 1.00 0.00 C ATOM 386 C ASP A 30 6.060 16.636 7.769 1.00 0.00 C ATOM 387 O ASP A 30 7.053 17.327 8.000 1.00 0.00 O ATOM 388 CB ASP A 30 4.422 17.106 9.601 1.00 0.00 C ATOM 389 CG ASP A 30 5.155 18.212 10.334 1.00 0.00 C ATOM 390 OD1 ASP A 30 6.398 18.137 10.430 1.00 0.00 O ATOM 391 OD2 ASP A 30 4.486 19.151 10.814 1.00 0.00 O ATOM 0 H ASP A 30 3.501 15.429 7.778 1.00 0.00 H new ATOM 0 HA ASP A 30 4.583 18.181 7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.353 17.188 9.800 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.745 16.140 9.990 1.00 0.00 H new ATOM 396 N ILE A 31 6.131 15.421 7.236 1.00 0.00 N ATOM 397 CA ILE A 31 7.409 14.816 6.882 1.00 0.00 C ATOM 398 C ILE A 31 7.554 14.680 5.370 1.00 0.00 C ATOM 399 O ILE A 31 8.588 15.029 4.801 1.00 0.00 O ATOM 400 CB ILE A 31 7.574 13.429 7.530 1.00 0.00 C ATOM 401 CG1 ILE A 31 6.883 13.394 8.895 1.00 0.00 C ATOM 402 CG2 ILE A 31 9.048 13.080 7.667 1.00 0.00 C ATOM 403 CD1 ILE A 31 7.074 12.089 9.635 1.00 0.00 C ATOM 0 H ILE A 31 5.319 14.836 7.040 1.00 0.00 H new ATOM 0 HA ILE A 31 8.187 15.479 7.260 1.00 0.00 H new ATOM 0 HB ILE A 31 7.103 12.686 6.887 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.266 14.210 9.508 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.816 13.572 8.758 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.148 12.097 8.127 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.512 13.068 6.681 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.542 13.824 8.292 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.557 12.135 10.594 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.665 11.271 9.042 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.137 11.919 9.804 1.00 0.00 H new ATOM 415 N SER A 32 6.509 14.171 4.725 1.00 0.00 N ATOM 416 CA SER A 32 6.519 13.986 3.279 1.00 0.00 C ATOM 417 C SER A 32 5.108 13.742 2.752 1.00 0.00 C ATOM 418 O SER A 32 4.192 13.394 3.497 1.00 0.00 O ATOM 419 CB SER A 32 7.428 12.815 2.900 1.00 0.00 C ATOM 420 OG SER A 32 8.751 13.256 2.652 1.00 0.00 O ATOM 0 H SER A 32 5.645 13.879 5.181 1.00 0.00 H new ATOM 0 HA SER A 32 6.905 14.898 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.431 12.078 3.703 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.035 12.318 2.013 1.00 0.00 H new ATOM 0 HG SER A 32 8.995 13.944 3.306 1.00 0.00 H new ATOM 426 N PRO A 33 4.929 13.928 1.436 1.00 0.00 N ATOM 427 CA PRO A 33 3.633 13.733 0.779 1.00 0.00 C ATOM 428 C PRO A 33 3.225 12.265 0.726 1.00 0.00 C ATOM 429 O PRO A 33 4.026 11.383 0.415 1.00 0.00 O ATOM 430 CB PRO A 33 3.867 14.273 -0.634 1.00 0.00 C ATOM 431 CG PRO A 33 5.334 14.133 -0.855 1.00 0.00 C ATOM 432 CD PRO A 33 5.977 14.342 0.488 1.00 0.00 C ATOM 0 HA PRO A 33 2.826 14.234 1.314 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.300 13.707 -1.373 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.551 15.313 -0.718 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.576 13.148 -1.255 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.692 14.867 -1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.880 13.741 0.599 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.266 15.382 0.638 1.00 0.00 H new ATOM 440 N PRO A 34 1.948 11.993 1.037 1.00 0.00 N ATOM 441 CA PRO A 34 1.405 10.632 1.032 1.00 0.00 C ATOM 442 C PRO A 34 1.285 10.061 -0.377 1.00 0.00 C ATOM 443 O PRO A 34 0.655 10.661 -1.248 1.00 0.00 O ATOM 444 CB PRO A 34 0.019 10.801 1.659 1.00 0.00 C ATOM 445 CG PRO A 34 -0.350 12.219 1.387 1.00 0.00 C ATOM 446 CD PRO A 34 0.938 12.994 1.418 1.00 0.00 C ATOM 0 HA PRO A 34 2.049 9.935 1.568 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.702 10.113 1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.041 10.596 2.729 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.841 12.316 0.419 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.048 12.592 2.137 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.920 13.832 0.721 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.135 13.407 2.407 1.00 0.00 H new ATOM 454 N ILE A 35 1.894 8.900 -0.593 1.00 0.00 N ATOM 455 CA ILE A 35 1.854 8.248 -1.896 1.00 0.00 C ATOM 456 C ILE A 35 0.623 7.357 -2.028 1.00 0.00 C ATOM 457 O ILE A 35 0.150 7.092 -3.133 1.00 0.00 O ATOM 458 CB ILE A 35 3.116 7.400 -2.141 1.00 0.00 C ATOM 459 CG1 ILE A 35 4.361 8.151 -1.666 1.00 0.00 C ATOM 460 CG2 ILE A 35 3.236 7.041 -3.614 1.00 0.00 C ATOM 461 CD1 ILE A 35 4.750 7.837 -0.239 1.00 0.00 C ATOM 0 H ILE A 35 2.421 8.392 0.117 1.00 0.00 H new ATOM 0 HA ILE A 35 1.808 9.040 -2.643 1.00 0.00 H new ATOM 0 HB ILE A 35 3.032 6.476 -1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.195 7.906 -2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.186 9.223 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.133 6.442 -3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.360 6.470 -3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.301 7.953 -4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.641 8.405 0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.932 8.108 0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.958 6.771 -0.145 1.00 0.00 H new ATOM 473 N PHE A 36 0.107 6.899 -0.892 1.00 0.00 N ATOM 474 CA PHE A 36 -1.070 6.038 -0.880 1.00 0.00 C ATOM 475 C PHE A 36 -2.098 6.537 0.132 1.00 0.00 C ATOM 476 O PHE A 36 -2.080 6.141 1.297 1.00 0.00 O ATOM 477 CB PHE A 36 -0.672 4.598 -0.550 1.00 0.00 C ATOM 478 CG PHE A 36 0.447 4.075 -1.405 1.00 0.00 C ATOM 479 CD1 PHE A 36 0.435 4.265 -2.778 1.00 0.00 C ATOM 480 CD2 PHE A 36 1.512 3.395 -0.836 1.00 0.00 C ATOM 481 CE1 PHE A 36 1.463 3.784 -3.567 1.00 0.00 C ATOM 482 CE2 PHE A 36 2.543 2.912 -1.620 1.00 0.00 C ATOM 483 CZ PHE A 36 2.519 3.108 -2.987 1.00 0.00 C ATOM 0 H PHE A 36 0.485 7.110 0.032 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.519 6.065 -1.873 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.375 4.542 0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.542 3.952 -0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.387 4.795 -3.236 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.537 3.241 0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.441 3.937 -4.636 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.366 2.382 -1.164 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.324 2.733 -3.601 1.00 0.00 H new ATOM 493 N ARG A 37 -2.992 7.408 -0.324 1.00 0.00 N ATOM 494 CA ARG A 37 -4.027 7.963 0.541 1.00 0.00 C ATOM 495 C ARG A 37 -4.762 6.855 1.289 1.00 0.00 C ATOM 496 O ARG A 37 -4.779 5.704 0.853 1.00 0.00 O ATOM 497 CB ARG A 37 -5.021 8.785 -0.281 1.00 0.00 C ATOM 498 CG ARG A 37 -4.562 10.210 -0.546 1.00 0.00 C ATOM 499 CD ARG A 37 -4.610 11.054 0.718 1.00 0.00 C ATOM 500 NE ARG A 37 -5.980 11.351 1.126 1.00 0.00 N ATOM 501 CZ ARG A 37 -6.701 12.344 0.617 1.00 0.00 C ATOM 502 NH1 ARG A 37 -6.184 13.131 -0.317 1.00 0.00 N ATOM 503 NH2 ARG A 37 -7.941 12.550 1.040 1.00 0.00 N ATOM 0 H ARG A 37 -3.021 7.745 -1.286 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.545 8.613 1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.193 8.285 -1.234 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.977 8.812 0.242 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.545 10.199 -0.939 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.195 10.661 -1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.097 10.529 1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.071 11.987 0.552 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.407 10.763 1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.231 12.974 -0.646 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.739 13.893 -0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.342 11.946 1.757 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.493 13.313 0.648 1.00 0.00 H new ATOM 517 N ARG A 38 -5.368 7.211 2.417 1.00 0.00 N ATOM 518 CA ARG A 38 -6.103 6.247 3.227 1.00 0.00 C ATOM 519 C ARG A 38 -7.222 5.598 2.417 1.00 0.00 C ATOM 520 O ARG A 38 -7.766 6.204 1.495 1.00 0.00 O ATOM 521 CB ARG A 38 -6.686 6.929 4.466 1.00 0.00 C ATOM 522 CG ARG A 38 -7.114 5.955 5.552 1.00 0.00 C ATOM 523 CD ARG A 38 -7.603 6.685 6.793 1.00 0.00 C ATOM 524 NE ARG A 38 -8.407 5.822 7.654 1.00 0.00 N ATOM 525 CZ ARG A 38 -8.698 6.110 8.918 1.00 0.00 C ATOM 526 NH1 ARG A 38 -8.252 7.233 9.465 1.00 0.00 N ATOM 527 NH2 ARG A 38 -9.435 5.275 9.638 1.00 0.00 N ATOM 0 H ARG A 38 -5.364 8.160 2.791 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.407 5.469 3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.944 7.614 4.876 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.546 7.530 4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.906 5.310 5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.276 5.310 5.815 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.747 7.060 7.354 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.194 7.551 6.495 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.765 4.950 7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.684 7.878 8.915 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.477 7.452 10.436 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.779 4.410 9.222 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.657 5.498 10.608 1.00 0.00 H new ATOM 541 N GLY A 39 -7.560 4.361 2.769 1.00 0.00 N ATOM 542 CA GLY A 39 -8.611 3.650 2.065 1.00 0.00 C ATOM 543 C GLY A 39 -8.175 3.186 0.689 1.00 0.00 C ATOM 544 O GLY A 39 -8.908 2.468 0.009 1.00 0.00 O ATOM 0 H GLY A 39 -7.125 3.839 3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.920 2.787 2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.482 4.298 1.968 1.00 0.00 H new ATOM 548 N GLU A 40 -6.980 3.597 0.278 1.00 0.00 N ATOM 549 CA GLU A 40 -6.450 3.220 -1.027 1.00 0.00 C ATOM 550 C GLU A 40 -5.958 1.776 -1.018 1.00 0.00 C ATOM 551 O GLU A 40 -5.280 1.345 -0.084 1.00 0.00 O ATOM 552 CB GLU A 40 -5.310 4.157 -1.430 1.00 0.00 C ATOM 553 CG GLU A 40 -5.002 4.138 -2.918 1.00 0.00 C ATOM 554 CD GLU A 40 -6.245 3.955 -3.768 1.00 0.00 C ATOM 555 OE1 GLU A 40 -6.864 4.974 -4.139 1.00 0.00 O ATOM 556 OE2 GLU A 40 -6.598 2.793 -4.061 1.00 0.00 O ATOM 0 H GLU A 40 -6.361 4.191 0.829 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.256 3.306 -1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.565 5.174 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.412 3.880 -0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.510 5.070 -3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.299 3.332 -3.130 1.00 0.00 H new ATOM 563 N LYS A 41 -6.303 1.032 -2.063 1.00 0.00 N ATOM 564 CA LYS A 41 -5.896 -0.363 -2.178 1.00 0.00 C ATOM 565 C LYS A 41 -4.514 -0.477 -2.813 1.00 0.00 C ATOM 566 O LYS A 41 -4.203 0.222 -3.778 1.00 0.00 O ATOM 567 CB LYS A 41 -6.916 -1.146 -3.008 1.00 0.00 C ATOM 568 CG LYS A 41 -6.859 -2.648 -2.783 1.00 0.00 C ATOM 569 CD LYS A 41 -8.101 -3.339 -3.319 1.00 0.00 C ATOM 570 CE LYS A 41 -8.420 -4.601 -2.533 1.00 0.00 C ATOM 571 NZ LYS A 41 -9.696 -5.226 -2.980 1.00 0.00 N ATOM 0 H LYS A 41 -6.864 1.373 -2.844 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.851 -0.786 -1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.918 -0.789 -2.769 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.748 -0.939 -4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.975 -3.057 -3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.758 -2.854 -1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.948 -2.655 -3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.954 -3.591 -4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.606 -5.316 -2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.486 -4.361 -1.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.878 -6.083 -2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.478 -4.553 -2.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.625 -5.479 -3.986 1.00 0.00 H new ATOM 585 N LEU A 42 -3.688 -1.362 -2.265 1.00 0.00 N ATOM 586 CA LEU A 42 -2.338 -1.569 -2.779 1.00 0.00 C ATOM 587 C LEU A 42 -2.037 -3.056 -2.936 1.00 0.00 C ATOM 588 O LEU A 42 -2.624 -3.894 -2.251 1.00 0.00 O ATOM 589 CB LEU A 42 -1.312 -0.924 -1.846 1.00 0.00 C ATOM 590 CG LEU A 42 -1.670 0.462 -1.310 1.00 0.00 C ATOM 591 CD1 LEU A 42 -0.787 0.820 -0.124 1.00 0.00 C ATOM 592 CD2 LEU A 42 -1.543 1.508 -2.407 1.00 0.00 C ATOM 0 H LEU A 42 -3.929 -1.947 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.273 -1.099 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.153 -1.590 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.363 -0.852 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.706 0.443 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.056 1.810 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.929 0.087 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.258 0.820 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.802 2.488 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.517 1.526 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.219 1.260 -3.226 1.00 0.00 H new ATOM 604 N ARG A 43 -1.117 -3.376 -3.840 1.00 0.00 N ATOM 605 CA ARG A 43 -0.737 -4.761 -4.086 1.00 0.00 C ATOM 606 C ARG A 43 0.626 -5.068 -3.473 1.00 0.00 C ATOM 607 O ARG A 43 1.586 -4.320 -3.660 1.00 0.00 O ATOM 608 CB ARG A 43 -0.707 -5.046 -5.589 1.00 0.00 C ATOM 609 CG ARG A 43 -0.965 -6.502 -5.938 1.00 0.00 C ATOM 610 CD ARG A 43 -0.810 -6.753 -7.430 1.00 0.00 C ATOM 611 NE ARG A 43 0.559 -7.118 -7.784 1.00 0.00 N ATOM 612 CZ ARG A 43 1.077 -6.942 -8.995 1.00 0.00 C ATOM 613 NH1 ARG A 43 0.343 -6.408 -9.962 1.00 0.00 N ATOM 614 NH2 ARG A 43 2.331 -7.299 -9.240 1.00 0.00 N ATOM 0 H ARG A 43 -0.621 -2.694 -4.414 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.481 -5.404 -3.616 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.454 -4.425 -6.083 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.265 -4.753 -5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.272 -7.138 -5.387 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.971 -6.780 -5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.488 -7.550 -7.736 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.100 -5.858 -7.980 1.00 0.00 H new ATOM 0 HE ARG A 43 1.150 -7.531 -7.062 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.621 -6.131 -9.777 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.743 -6.274 -10.891 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.899 -7.709 -8.498 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.727 -7.163 -10.170 1.00 0.00 H new ATOM 628 N VAL A 44 0.704 -6.173 -2.738 1.00 0.00 N ATOM 629 CA VAL A 44 1.949 -6.580 -2.097 1.00 0.00 C ATOM 630 C VAL A 44 2.964 -7.063 -3.126 1.00 0.00 C ATOM 631 O VAL A 44 2.773 -8.100 -3.762 1.00 0.00 O ATOM 632 CB VAL A 44 1.709 -7.697 -1.064 1.00 0.00 C ATOM 633 CG1 VAL A 44 3.027 -8.156 -0.459 1.00 0.00 C ATOM 634 CG2 VAL A 44 0.752 -7.224 0.019 1.00 0.00 C ATOM 0 H VAL A 44 -0.081 -6.803 -2.572 1.00 0.00 H new ATOM 0 HA VAL A 44 2.344 -5.702 -1.586 1.00 0.00 H new ATOM 0 HB VAL A 44 1.254 -8.547 -1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.838 -8.945 0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.676 -8.537 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.513 -7.315 0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.594 -8.026 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.176 -6.358 0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.201 -6.949 -0.433 1.00 0.00 H new ATOM 644 N ILE A 45 4.044 -6.305 -3.284 1.00 0.00 N ATOM 645 CA ILE A 45 5.091 -6.658 -4.235 1.00 0.00 C ATOM 646 C ILE A 45 6.128 -7.576 -3.597 1.00 0.00 C ATOM 647 O ILE A 45 6.447 -8.637 -4.134 1.00 0.00 O ATOM 648 CB ILE A 45 5.800 -5.404 -4.782 1.00 0.00 C ATOM 649 CG1 ILE A 45 5.030 -4.835 -5.975 1.00 0.00 C ATOM 650 CG2 ILE A 45 7.231 -5.736 -5.178 1.00 0.00 C ATOM 651 CD1 ILE A 45 4.002 -3.795 -5.589 1.00 0.00 C ATOM 0 H ILE A 45 4.217 -5.443 -2.766 1.00 0.00 H new ATOM 0 HA ILE A 45 4.605 -7.181 -5.059 1.00 0.00 H new ATOM 0 HB ILE A 45 5.826 -4.648 -3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.737 -4.392 -6.676 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.531 -5.651 -6.498 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.719 -4.841 -5.563 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.775 -6.100 -4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.226 -6.506 -5.949 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.494 -3.435 -6.484 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.272 -4.239 -4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.497 -2.960 -5.093 1.00 0.00 H new ATOM 663 N SER A 46 6.648 -7.163 -2.445 1.00 0.00 N ATOM 664 CA SER A 46 7.650 -7.948 -1.734 1.00 0.00 C ATOM 665 C SER A 46 7.580 -7.685 -0.232 1.00 0.00 C ATOM 666 O SER A 46 7.050 -6.664 0.206 1.00 0.00 O ATOM 667 CB SER A 46 9.050 -7.620 -2.256 1.00 0.00 C ATOM 668 OG SER A 46 10.044 -8.308 -1.516 1.00 0.00 O ATOM 0 H SER A 46 6.392 -6.290 -1.985 1.00 0.00 H new ATOM 0 HA SER A 46 7.442 -9.003 -1.911 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.122 -7.893 -3.309 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.223 -6.546 -2.192 1.00 0.00 H new ATOM 0 HG SER A 46 10.930 -8.083 -1.870 1.00 0.00 H new ATOM 674 N ASP A 47 8.117 -8.614 0.550 1.00 0.00 N ATOM 675 CA ASP A 47 8.118 -8.484 2.002 1.00 0.00 C ATOM 676 C ASP A 47 9.542 -8.386 2.539 1.00 0.00 C ATOM 677 O ASP A 47 10.304 -9.351 2.482 1.00 0.00 O ATOM 678 CB ASP A 47 7.399 -9.673 2.642 1.00 0.00 C ATOM 679 CG ASP A 47 7.888 -11.003 2.103 1.00 0.00 C ATOM 680 OD1 ASP A 47 7.864 -11.188 0.868 1.00 0.00 O ATOM 681 OD2 ASP A 47 8.294 -11.859 2.916 1.00 0.00 O ATOM 0 H ASP A 47 8.558 -9.466 0.203 1.00 0.00 H new ATOM 0 HA ASP A 47 7.589 -7.567 2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.547 -9.645 3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.327 -9.584 2.465 1.00 0.00 H new ATOM 686 N GLU A 48 9.894 -7.214 3.058 1.00 0.00 N ATOM 687 CA GLU A 48 11.228 -6.991 3.603 1.00 0.00 C ATOM 688 C GLU A 48 11.178 -6.842 5.121 1.00 0.00 C ATOM 689 O GLU A 48 11.092 -5.732 5.644 1.00 0.00 O ATOM 690 CB GLU A 48 11.856 -5.743 2.978 1.00 0.00 C ATOM 691 CG GLU A 48 11.972 -5.814 1.464 1.00 0.00 C ATOM 692 CD GLU A 48 12.362 -4.485 0.846 1.00 0.00 C ATOM 693 OE1 GLU A 48 11.947 -3.437 1.384 1.00 0.00 O ATOM 694 OE2 GLU A 48 13.081 -4.493 -0.174 1.00 0.00 O ATOM 0 H GLU A 48 9.275 -6.405 3.113 1.00 0.00 H new ATOM 0 HA GLU A 48 11.841 -7.859 3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.259 -4.872 3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.848 -5.594 3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.713 -6.567 1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.020 -6.140 1.045 1.00 0.00 H new ATOM 701 N GLY A 49 11.232 -7.970 5.823 1.00 0.00 N ATOM 702 CA GLY A 49 11.191 -7.944 7.273 1.00 0.00 C ATOM 703 C GLY A 49 9.931 -7.291 7.806 1.00 0.00 C ATOM 704 O GLY A 49 8.822 -7.721 7.495 1.00 0.00 O ATOM 0 H GLY A 49 11.303 -8.901 5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.257 -8.963 7.654 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.062 -7.406 7.648 1.00 0.00 H new ATOM 708 N GLY A 50 10.103 -6.248 8.613 1.00 0.00 N ATOM 709 CA GLY A 50 8.962 -5.553 9.179 1.00 0.00 C ATOM 710 C GLY A 50 8.247 -4.687 8.161 1.00 0.00 C ATOM 711 O GLY A 50 7.075 -4.351 8.335 1.00 0.00 O ATOM 0 H GLY A 50 11.012 -5.872 8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.262 -6.282 9.587 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.295 -4.931 10.010 1.00 0.00 H new ATOM 715 N TRP A 51 8.953 -4.324 7.096 1.00 0.00 N ATOM 716 CA TRP A 51 8.379 -3.490 6.047 1.00 0.00 C ATOM 717 C TRP A 51 8.288 -4.255 4.731 1.00 0.00 C ATOM 718 O TRP A 51 9.080 -5.163 4.475 1.00 0.00 O ATOM 719 CB TRP A 51 9.216 -2.224 5.858 1.00 0.00 C ATOM 720 CG TRP A 51 9.044 -1.228 6.964 1.00 0.00 C ATOM 721 CD1 TRP A 51 9.087 -1.478 8.306 1.00 0.00 C ATOM 722 CD2 TRP A 51 8.801 0.176 6.824 1.00 0.00 C ATOM 723 NE1 TRP A 51 8.885 -0.314 9.008 1.00 0.00 N ATOM 724 CE2 TRP A 51 8.708 0.715 8.122 1.00 0.00 C ATOM 725 CE3 TRP A 51 8.655 1.031 5.728 1.00 0.00 C ATOM 726 CZ2 TRP A 51 8.474 2.068 8.351 1.00 0.00 C ATOM 727 CZ3 TRP A 51 8.422 2.374 5.957 1.00 0.00 C ATOM 728 CH2 TRP A 51 8.335 2.882 7.260 1.00 0.00 C ATOM 0 H TRP A 51 9.924 -4.594 6.936 1.00 0.00 H new ATOM 0 HA TRP A 51 7.371 -3.209 6.352 1.00 0.00 H new ATOM 0 HB2 TRP A 51 10.268 -2.500 5.787 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.945 -1.756 4.912 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.255 -2.448 8.750 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.869 -0.230 10.024 1.00 0.00 H new ATOM 0 HE3 TRP A 51 8.723 0.649 4.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 8.405 2.461 9.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 8.305 3.043 5.117 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.155 3.937 7.406 1.00 0.00 H new ATOM 739 N TRP A 52 7.321 -3.884 3.901 1.00 0.00 N ATOM 740 CA TRP A 52 7.128 -4.537 2.611 1.00 0.00 C ATOM 741 C TRP A 52 6.873 -3.510 1.513 1.00 0.00 C ATOM 742 O TRP A 52 6.569 -2.350 1.793 1.00 0.00 O ATOM 743 CB TRP A 52 5.962 -5.523 2.684 1.00 0.00 C ATOM 744 CG TRP A 52 4.757 -4.968 3.381 1.00 0.00 C ATOM 745 CD1 TRP A 52 4.476 -3.650 3.607 1.00 0.00 C ATOM 746 CD2 TRP A 52 3.672 -5.713 3.944 1.00 0.00 C ATOM 747 NE1 TRP A 52 3.281 -3.533 4.276 1.00 0.00 N ATOM 748 CE2 TRP A 52 2.768 -4.784 4.494 1.00 0.00 C ATOM 749 CE3 TRP A 52 3.376 -7.076 4.035 1.00 0.00 C ATOM 750 CZ2 TRP A 52 1.591 -5.175 5.126 1.00 0.00 C ATOM 751 CZ3 TRP A 52 2.207 -7.463 4.663 1.00 0.00 C ATOM 752 CH2 TRP A 52 1.326 -6.515 5.202 1.00 0.00 C ATOM 0 H TRP A 52 6.658 -3.134 4.098 1.00 0.00 H new ATOM 0 HA TRP A 52 8.040 -5.082 2.368 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.683 -5.820 1.673 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.290 -6.424 3.202 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.101 -2.822 3.305 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.846 -2.656 4.564 1.00 0.00 H new ATOM 0 HE3 TRP A 52 4.048 -7.813 3.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.911 -4.446 5.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 1.968 -8.513 4.740 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.420 -6.849 5.687 1.00 0.00 H new ATOM 763 N LYS A 53 6.998 -3.942 0.263 1.00 0.00 N ATOM 764 CA LYS A 53 6.780 -3.061 -0.877 1.00 0.00 C ATOM 765 C LYS A 53 5.398 -3.288 -1.483 1.00 0.00 C ATOM 766 O LYS A 53 4.908 -4.416 -1.530 1.00 0.00 O ATOM 767 CB LYS A 53 7.858 -3.290 -1.939 1.00 0.00 C ATOM 768 CG LYS A 53 7.918 -2.195 -2.990 1.00 0.00 C ATOM 769 CD LYS A 53 8.383 -2.736 -4.332 1.00 0.00 C ATOM 770 CE LYS A 53 8.791 -1.614 -5.274 1.00 0.00 C ATOM 771 NZ LYS A 53 9.658 -2.106 -6.381 1.00 0.00 N ATOM 0 H LYS A 53 7.250 -4.899 0.014 1.00 0.00 H new ATOM 0 HA LYS A 53 6.839 -2.031 -0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.829 -3.365 -1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.674 -4.245 -2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.933 -1.741 -3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.596 -1.408 -2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.226 -3.411 -4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.584 -3.321 -4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.899 -1.148 -5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.320 -0.844 -4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.512 -1.516 -6.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.931 -3.092 -6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.137 -2.054 -7.280 1.00 0.00 H new ATOM 785 N ALA A 54 4.777 -2.209 -1.948 1.00 0.00 N ATOM 786 CA ALA A 54 3.454 -2.291 -2.554 1.00 0.00 C ATOM 787 C ALA A 54 3.231 -1.152 -3.543 1.00 0.00 C ATOM 788 O ALA A 54 3.927 -0.137 -3.502 1.00 0.00 O ATOM 789 CB ALA A 54 2.378 -2.277 -1.478 1.00 0.00 C ATOM 0 H ALA A 54 5.169 -1.268 -1.917 1.00 0.00 H new ATOM 0 HA ALA A 54 3.391 -3.231 -3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.395 -2.339 -1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.518 -3.129 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.449 -1.353 -0.904 1.00 0.00 H new ATOM 795 N ILE A 55 2.257 -1.327 -4.430 1.00 0.00 N ATOM 796 CA ILE A 55 1.944 -0.312 -5.429 1.00 0.00 C ATOM 797 C ILE A 55 0.451 -0.001 -5.446 1.00 0.00 C ATOM 798 O ILE A 55 -0.379 -0.877 -5.205 1.00 0.00 O ATOM 799 CB ILE A 55 2.381 -0.755 -6.838 1.00 0.00 C ATOM 800 CG1 ILE A 55 2.310 0.423 -7.811 1.00 0.00 C ATOM 801 CG2 ILE A 55 1.511 -1.904 -7.325 1.00 0.00 C ATOM 802 CD1 ILE A 55 3.015 0.165 -9.124 1.00 0.00 C ATOM 0 H ILE A 55 1.672 -2.161 -4.477 1.00 0.00 H new ATOM 0 HA ILE A 55 2.497 0.585 -5.152 1.00 0.00 H new ATOM 0 HB ILE A 55 3.413 -1.101 -6.790 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.264 0.657 -8.009 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.750 1.301 -7.338 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.832 -2.206 -8.322 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.607 -2.748 -6.642 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.470 -1.582 -7.361 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.924 1.042 -9.764 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.069 -0.040 -8.937 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.561 -0.694 -9.618 1.00 0.00 H new ATOM 814 N SER A 56 0.117 1.253 -5.734 1.00 0.00 N ATOM 815 CA SER A 56 -1.276 1.681 -5.781 1.00 0.00 C ATOM 816 C SER A 56 -1.913 1.313 -7.118 1.00 0.00 C ATOM 817 O SER A 56 -1.374 1.621 -8.182 1.00 0.00 O ATOM 818 CB SER A 56 -1.376 3.191 -5.555 1.00 0.00 C ATOM 819 OG SER A 56 -0.768 3.907 -6.616 1.00 0.00 O ATOM 0 H SER A 56 0.792 1.990 -5.938 1.00 0.00 H new ATOM 0 HA SER A 56 -1.815 1.165 -4.987 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.423 3.481 -5.470 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.895 3.453 -4.613 1.00 0.00 H new ATOM 0 HG SER A 56 -1.109 4.826 -6.629 1.00 0.00 H new ATOM 825 N LEU A 57 -3.063 0.651 -7.055 1.00 0.00 N ATOM 826 CA LEU A 57 -3.776 0.239 -8.260 1.00 0.00 C ATOM 827 C LEU A 57 -4.515 1.418 -8.885 1.00 0.00 C ATOM 828 O LEU A 57 -5.300 1.247 -9.817 1.00 0.00 O ATOM 829 CB LEU A 57 -4.763 -0.882 -7.934 1.00 0.00 C ATOM 830 CG LEU A 57 -4.214 -2.039 -7.098 1.00 0.00 C ATOM 831 CD1 LEU A 57 -5.339 -2.742 -6.355 1.00 0.00 C ATOM 832 CD2 LEU A 57 -3.458 -3.022 -7.980 1.00 0.00 C ATOM 0 H LEU A 57 -3.522 0.388 -6.183 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.043 -0.129 -8.978 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.612 -0.449 -7.405 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.145 -1.287 -8.871 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.519 -1.633 -6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.929 -3.562 -5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.837 -2.033 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.059 -3.135 -7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.074 -3.839 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.131 -3.422 -8.739 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.627 -2.511 -8.465 1.00 0.00 H new ATOM 844 N SER A 58 -4.256 2.614 -8.367 1.00 0.00 N ATOM 845 CA SER A 58 -4.899 3.822 -8.873 1.00 0.00 C ATOM 846 C SER A 58 -3.968 4.577 -9.817 1.00 0.00 C ATOM 847 O SER A 58 -4.338 4.902 -10.945 1.00 0.00 O ATOM 848 CB SER A 58 -5.313 4.729 -7.713 1.00 0.00 C ATOM 849 OG SER A 58 -6.525 4.287 -7.127 1.00 0.00 O ATOM 0 H SER A 58 -3.606 2.773 -7.597 1.00 0.00 H new ATOM 0 HA SER A 58 -5.789 3.526 -9.428 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.525 4.743 -6.960 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.430 5.752 -8.071 1.00 0.00 H new ATOM 0 HG SER A 58 -6.859 4.971 -6.510 1.00 0.00 H new ATOM 855 N THR A 59 -2.756 4.854 -9.347 1.00 0.00 N ATOM 856 CA THR A 59 -1.771 5.571 -10.146 1.00 0.00 C ATOM 857 C THR A 59 -0.661 4.639 -10.619 1.00 0.00 C ATOM 858 O THR A 59 -0.268 4.667 -11.784 1.00 0.00 O ATOM 859 CB THR A 59 -1.146 6.736 -9.355 1.00 0.00 C ATOM 860 OG1 THR A 59 -0.281 6.226 -8.335 1.00 0.00 O ATOM 861 CG2 THR A 59 -2.225 7.603 -8.726 1.00 0.00 C ATOM 0 H THR A 59 -2.433 4.592 -8.416 1.00 0.00 H new ATOM 0 HA THR A 59 -2.298 5.971 -11.012 1.00 0.00 H new ATOM 0 HB THR A 59 -0.569 7.349 -10.047 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.012 6.956 -7.739 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.760 8.419 -8.173 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.864 8.013 -9.508 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.826 7.000 -8.046 1.00 0.00 H new ATOM 869 N GLY A 60 -0.160 3.812 -9.706 1.00 0.00 N ATOM 870 CA GLY A 60 0.900 2.882 -10.049 1.00 0.00 C ATOM 871 C GLY A 60 2.235 3.279 -9.451 1.00 0.00 C ATOM 872 O GLY A 60 3.288 2.984 -10.017 1.00 0.00 O ATOM 0 H GLY A 60 -0.469 3.770 -8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.631 1.885 -9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.993 2.826 -11.134 1.00 0.00 H new ATOM 876 N ARG A 61 2.192 3.951 -8.305 1.00 0.00 N ATOM 877 CA ARG A 61 3.408 4.391 -7.632 1.00 0.00 C ATOM 878 C ARG A 61 3.948 3.297 -6.715 1.00 0.00 C ATOM 879 O ARG A 61 3.242 2.811 -5.832 1.00 0.00 O ATOM 880 CB ARG A 61 3.138 5.661 -6.824 1.00 0.00 C ATOM 881 CG ARG A 61 3.194 6.934 -7.653 1.00 0.00 C ATOM 882 CD ARG A 61 3.648 8.122 -6.821 1.00 0.00 C ATOM 883 NE ARG A 61 4.087 9.238 -7.654 1.00 0.00 N ATOM 884 CZ ARG A 61 4.885 10.208 -7.222 1.00 0.00 C ATOM 885 NH1 ARG A 61 5.330 10.199 -5.973 1.00 0.00 N ATOM 886 NH2 ARG A 61 5.241 11.191 -8.040 1.00 0.00 N ATOM 0 H ARG A 61 1.329 4.202 -7.824 1.00 0.00 H new ATOM 0 HA ARG A 61 4.158 4.606 -8.394 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.155 5.583 -6.359 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.868 5.730 -6.017 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.877 6.794 -8.491 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.210 7.139 -8.074 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.830 8.449 -6.179 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.464 7.815 -6.166 1.00 0.00 H new ATOM 0 HE ARG A 61 3.763 9.275 -8.621 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.060 9.446 -5.341 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.943 10.945 -5.644 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.902 11.202 -9.002 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.854 11.935 -7.707 1.00 0.00 H new ATOM 900 N GLU A 62 5.203 2.916 -6.931 1.00 0.00 N ATOM 901 CA GLU A 62 5.836 1.879 -6.125 1.00 0.00 C ATOM 902 C GLU A 62 6.613 2.492 -4.963 1.00 0.00 C ATOM 903 O GLU A 62 7.564 3.245 -5.168 1.00 0.00 O ATOM 904 CB GLU A 62 6.772 1.030 -6.988 1.00 0.00 C ATOM 905 CG GLU A 62 6.094 -0.177 -7.615 1.00 0.00 C ATOM 906 CD GLU A 62 6.829 -0.688 -8.839 1.00 0.00 C ATOM 907 OE1 GLU A 62 6.854 0.032 -9.859 1.00 0.00 O ATOM 908 OE2 GLU A 62 7.379 -1.807 -8.777 1.00 0.00 O ATOM 0 H GLU A 62 5.801 3.310 -7.657 1.00 0.00 H new ATOM 0 HA GLU A 62 5.051 1.241 -5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.189 1.654 -7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.608 0.690 -6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.027 -0.976 -6.876 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.074 0.087 -7.892 1.00 0.00 H new ATOM 915 N SER A 63 6.200 2.162 -3.744 1.00 0.00 N ATOM 916 CA SER A 63 6.854 2.683 -2.549 1.00 0.00 C ATOM 917 C SER A 63 6.812 1.661 -1.417 1.00 0.00 C ATOM 918 O SER A 63 6.065 0.684 -1.476 1.00 0.00 O ATOM 919 CB SER A 63 6.185 3.984 -2.101 1.00 0.00 C ATOM 920 OG SER A 63 6.910 4.595 -1.048 1.00 0.00 O ATOM 0 H SER A 63 5.416 1.537 -3.557 1.00 0.00 H new ATOM 0 HA SER A 63 7.897 2.885 -2.795 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.116 4.670 -2.945 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.166 3.778 -1.773 1.00 0.00 H new ATOM 0 HG SER A 63 6.559 5.496 -0.889 1.00 0.00 H new ATOM 926 N TYR A 64 7.620 1.893 -0.389 1.00 0.00 N ATOM 927 CA TYR A 64 7.678 0.992 0.756 1.00 0.00 C ATOM 928 C TYR A 64 7.008 1.617 1.976 1.00 0.00 C ATOM 929 O TYR A 64 7.372 2.712 2.405 1.00 0.00 O ATOM 930 CB TYR A 64 9.131 0.641 1.083 1.00 0.00 C ATOM 931 CG TYR A 64 9.947 0.255 -0.130 1.00 0.00 C ATOM 932 CD1 TYR A 64 10.580 1.222 -0.902 1.00 0.00 C ATOM 933 CD2 TYR A 64 10.086 -1.075 -0.504 1.00 0.00 C ATOM 934 CE1 TYR A 64 11.327 0.874 -2.011 1.00 0.00 C ATOM 935 CE2 TYR A 64 10.832 -1.432 -1.611 1.00 0.00 C ATOM 936 CZ TYR A 64 11.450 -0.454 -2.361 1.00 0.00 C ATOM 937 OH TYR A 64 12.193 -0.806 -3.465 1.00 0.00 O ATOM 0 H TYR A 64 8.244 2.697 -0.325 1.00 0.00 H new ATOM 0 HA TYR A 64 7.140 0.080 0.495 1.00 0.00 H new ATOM 0 HB2 TYR A 64 9.602 1.495 1.571 1.00 0.00 H new ATOM 0 HB3 TYR A 64 9.145 -0.182 1.797 1.00 0.00 H new ATOM 0 HD1 TYR A 64 10.486 2.263 -0.630 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.603 -1.844 0.081 1.00 0.00 H new ATOM 0 HE1 TYR A 64 11.812 1.638 -2.601 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.930 -2.471 -1.887 1.00 0.00 H new ATOM 0 HH TYR A 64 12.179 -1.780 -3.572 1.00 0.00 H new ATOM 947 N ILE A 65 6.027 0.912 2.529 1.00 0.00 N ATOM 948 CA ILE A 65 5.306 1.395 3.701 1.00 0.00 C ATOM 949 C ILE A 65 5.191 0.307 4.763 1.00 0.00 C ATOM 950 O ILE A 65 5.167 -0.887 4.465 1.00 0.00 O ATOM 951 CB ILE A 65 3.894 1.886 3.330 1.00 0.00 C ATOM 952 CG1 ILE A 65 3.008 0.704 2.930 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.967 2.906 2.203 1.00 0.00 C ATOM 954 CD1 ILE A 65 3.530 -0.065 1.737 1.00 0.00 C ATOM 0 H ILE A 65 5.713 0.005 2.185 1.00 0.00 H new ATOM 0 HA ILE A 65 5.879 2.231 4.102 1.00 0.00 H new ATOM 0 HB ILE A 65 3.452 2.368 4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.917 0.025 3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.006 1.071 2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.961 3.244 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.567 3.758 2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.425 2.448 1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.852 -0.888 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.595 0.600 0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.519 -0.462 1.964 1.00 0.00 H new ATOM 966 N PRO A 66 5.117 0.728 6.035 1.00 0.00 N ATOM 967 CA PRO A 66 5.000 -0.195 7.168 1.00 0.00 C ATOM 968 C PRO A 66 3.643 -0.887 7.215 1.00 0.00 C ATOM 969 O PRO A 66 2.602 -0.244 7.087 1.00 0.00 O ATOM 970 CB PRO A 66 5.178 0.715 8.386 1.00 0.00 C ATOM 971 CG PRO A 66 4.755 2.064 7.916 1.00 0.00 C ATOM 972 CD PRO A 66 5.140 2.136 6.464 1.00 0.00 C ATOM 0 HA PRO A 66 5.729 -1.003 7.112 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.568 0.378 9.224 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.213 0.721 8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.681 2.202 8.042 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.247 2.849 8.490 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.438 2.742 5.892 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.126 2.580 6.331 1.00 0.00 H new ATOM 980 N GLY A 67 3.661 -2.204 7.399 1.00 0.00 N ATOM 981 CA GLY A 67 2.425 -2.962 7.459 1.00 0.00 C ATOM 982 C GLY A 67 1.401 -2.328 8.379 1.00 0.00 C ATOM 983 O GLY A 67 0.196 -2.444 8.151 1.00 0.00 O ATOM 0 H GLY A 67 4.510 -2.759 7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.005 -3.047 6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.639 -3.974 7.802 1.00 0.00 H new ATOM 987 N ILE A 68 1.879 -1.658 9.422 1.00 0.00 N ATOM 988 CA ILE A 68 0.996 -1.005 10.380 1.00 0.00 C ATOM 989 C ILE A 68 0.196 0.112 9.717 1.00 0.00 C ATOM 990 O ILE A 68 -0.942 0.386 10.101 1.00 0.00 O ATOM 991 CB ILE A 68 1.786 -0.421 11.567 1.00 0.00 C ATOM 992 CG1 ILE A 68 0.898 -0.346 12.811 1.00 0.00 C ATOM 993 CG2 ILE A 68 2.330 0.955 11.214 1.00 0.00 C ATOM 994 CD1 ILE A 68 1.674 -0.170 14.097 1.00 0.00 C ATOM 0 H ILE A 68 2.873 -1.553 9.625 1.00 0.00 H new ATOM 0 HA ILE A 68 0.312 -1.769 10.750 1.00 0.00 H new ATOM 0 HB ILE A 68 2.628 -1.079 11.784 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.201 0.484 12.700 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.302 -1.256 12.877 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.886 1.355 12.062 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.992 0.874 10.352 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.503 1.623 10.975 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.981 -0.125 14.937 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.352 -1.013 14.231 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.249 0.755 14.051 1.00 0.00 H new ATOM 1006 N CYS A 69 0.798 0.751 8.721 1.00 0.00 N ATOM 1007 CA CYS A 69 0.141 1.838 8.003 1.00 0.00 C ATOM 1008 C CYS A 69 -0.895 1.295 7.024 1.00 0.00 C ATOM 1009 O CYS A 69 -1.697 2.049 6.472 1.00 0.00 O ATOM 1010 CB CYS A 69 1.175 2.680 7.254 1.00 0.00 C ATOM 1011 SG CYS A 69 1.885 4.023 8.236 1.00 0.00 S ATOM 0 H CYS A 69 1.739 0.536 8.392 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.369 2.466 8.733 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.980 2.029 6.913 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.708 3.102 6.364 1.00 0.00 H new ATOM 0 HG CYS A 69 2.632 4.768 7.477 1.00 0.00 H new ATOM 1017 N VAL A 70 -0.872 -0.017 6.813 1.00 0.00 N ATOM 1018 CA VAL A 70 -1.809 -0.661 5.901 1.00 0.00 C ATOM 1019 C VAL A 70 -2.522 -1.827 6.577 1.00 0.00 C ATOM 1020 O VAL A 70 -2.151 -2.241 7.675 1.00 0.00 O ATOM 1021 CB VAL A 70 -1.098 -1.173 4.635 1.00 0.00 C ATOM 1022 CG1 VAL A 70 -0.419 -0.026 3.902 1.00 0.00 C ATOM 1023 CG2 VAL A 70 -0.093 -2.258 4.991 1.00 0.00 C ATOM 0 H VAL A 70 -0.214 -0.655 7.262 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.542 0.094 5.617 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.845 -1.605 3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.078 -0.408 3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.166 0.714 3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.318 0.439 4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.400 -2.609 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.652 -1.853 5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.610 -3.091 5.468 1.00 0.00 H new ATOM 1033 N ALA A 71 -3.546 -2.352 5.914 1.00 0.00 N ATOM 1034 CA ALA A 71 -4.309 -3.473 6.450 1.00 0.00 C ATOM 1035 C ALA A 71 -4.408 -4.606 5.434 1.00 0.00 C ATOM 1036 O ALA A 71 -4.783 -4.388 4.282 1.00 0.00 O ATOM 1037 CB ALA A 71 -5.698 -3.013 6.868 1.00 0.00 C ATOM 0 H ALA A 71 -3.867 -2.020 5.005 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.784 -3.852 7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.257 -3.860 7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.611 -2.243 7.634 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.222 -2.607 6.003 1.00 0.00 H new ATOM 1043 N ARG A 72 -4.070 -5.815 5.868 1.00 0.00 N ATOM 1044 CA ARG A 72 -4.119 -6.982 4.996 1.00 0.00 C ATOM 1045 C ARG A 72 -5.553 -7.282 4.569 1.00 0.00 C ATOM 1046 O ARG A 72 -6.370 -7.731 5.373 1.00 0.00 O ATOM 1047 CB ARG A 72 -3.520 -8.199 5.702 1.00 0.00 C ATOM 1048 CG ARG A 72 -3.227 -9.362 4.769 1.00 0.00 C ATOM 1049 CD ARG A 72 -1.825 -9.269 4.185 1.00 0.00 C ATOM 1050 NE ARG A 72 -0.837 -9.938 5.026 1.00 0.00 N ATOM 1051 CZ ARG A 72 0.336 -10.373 4.578 1.00 0.00 C ATOM 1052 NH1 ARG A 72 0.664 -10.209 3.304 1.00 0.00 N ATOM 1053 NH2 ARG A 72 1.182 -10.973 5.405 1.00 0.00 N ATOM 0 H ARG A 72 -3.759 -6.012 6.819 1.00 0.00 H new ATOM 0 HA ARG A 72 -3.531 -6.763 4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.597 -7.902 6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.208 -8.532 6.479 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.335 -10.301 5.312 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.959 -9.375 3.961 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.816 -9.715 3.190 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.550 -8.221 4.067 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.059 -10.079 6.011 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.015 -9.748 2.666 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.565 -10.544 2.962 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.932 -11.101 6.386 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.082 -11.307 5.060 1.00 0.00 H new ATOM 1067 N VAL A 73 -5.852 -7.030 3.299 1.00 0.00 N ATOM 1068 CA VAL A 73 -7.186 -7.274 2.765 1.00 0.00 C ATOM 1069 C VAL A 73 -7.298 -8.679 2.183 1.00 0.00 C ATOM 1070 O VAL A 73 -6.291 -9.313 1.869 1.00 0.00 O ATOM 1071 CB VAL A 73 -7.551 -6.248 1.675 1.00 0.00 C ATOM 1072 CG1 VAL A 73 -9.038 -6.307 1.362 1.00 0.00 C ATOM 1073 CG2 VAL A 73 -7.142 -4.847 2.104 1.00 0.00 C ATOM 0 H VAL A 73 -5.188 -6.657 2.621 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.883 -7.173 3.597 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.004 -6.499 0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.277 -5.575 0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -9.296 -7.305 1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.609 -6.083 2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.407 -4.135 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.660 -4.583 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.065 -4.818 2.271 1.00 0.00 H new ATOM 1083 N SER A 74 -8.529 -9.159 2.043 1.00 0.00 N ATOM 1084 CA SER A 74 -8.773 -10.491 1.502 1.00 0.00 C ATOM 1085 C SER A 74 -9.988 -10.489 0.580 1.00 0.00 C ATOM 1086 O SER A 74 -10.877 -9.648 0.708 1.00 0.00 O ATOM 1087 CB SER A 74 -8.982 -11.495 2.637 1.00 0.00 C ATOM 1088 OG SER A 74 -7.854 -11.538 3.494 1.00 0.00 O ATOM 0 H SER A 74 -9.373 -8.646 2.297 1.00 0.00 H new ATOM 0 HA SER A 74 -7.899 -10.786 0.922 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.868 -11.221 3.210 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.165 -12.486 2.221 1.00 0.00 H new ATOM 0 HG SER A 74 -8.013 -12.186 4.212 1.00 0.00 H new ATOM 1094 N GLY A 75 -10.018 -11.437 -0.352 1.00 0.00 N ATOM 1095 CA GLY A 75 -11.128 -11.528 -1.283 1.00 0.00 C ATOM 1096 C GLY A 75 -12.332 -12.227 -0.684 1.00 0.00 C ATOM 1097 O GLY A 75 -12.234 -12.920 0.329 1.00 0.00 O ATOM 0 H GLY A 75 -9.293 -12.144 -0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.415 -10.526 -1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.807 -12.065 -2.175 1.00 0.00 H new ATOM 1101 N PRO A 76 -13.501 -12.047 -1.316 1.00 0.00 N ATOM 1102 CA PRO A 76 -14.752 -12.657 -0.856 1.00 0.00 C ATOM 1103 C PRO A 76 -14.766 -14.169 -1.054 1.00 0.00 C ATOM 1104 O PRO A 76 -15.753 -14.836 -0.741 1.00 0.00 O ATOM 1105 CB PRO A 76 -15.815 -11.993 -1.736 1.00 0.00 C ATOM 1106 CG PRO A 76 -15.085 -11.586 -2.969 1.00 0.00 C ATOM 1107 CD PRO A 76 -13.691 -11.234 -2.529 1.00 0.00 C ATOM 0 HA PRO A 76 -14.909 -12.508 0.212 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -16.626 -12.684 -1.966 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -16.261 -11.132 -1.237 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -15.071 -12.395 -3.699 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -15.570 -10.735 -3.446 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.954 -11.477 -3.295 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.593 -10.169 -2.319 1.00 0.00 H new ATOM 1115 N SER A 77 -13.666 -14.704 -1.574 1.00 0.00 N ATOM 1116 CA SER A 77 -13.554 -16.137 -1.816 1.00 0.00 C ATOM 1117 C SER A 77 -13.968 -16.931 -0.581 1.00 0.00 C ATOM 1118 O SER A 77 -14.789 -17.844 -0.662 1.00 0.00 O ATOM 1119 CB SER A 77 -12.122 -16.499 -2.213 1.00 0.00 C ATOM 1120 OG SER A 77 -11.209 -16.176 -1.177 1.00 0.00 O ATOM 0 H SER A 77 -12.840 -14.166 -1.836 1.00 0.00 H new ATOM 0 HA SER A 77 -14.226 -16.395 -2.634 1.00 0.00 H new ATOM 0 HB2 SER A 77 -12.061 -17.564 -2.437 1.00 0.00 H new ATOM 0 HB3 SER A 77 -11.848 -15.966 -3.123 1.00 0.00 H new ATOM 0 HG SER A 77 -10.301 -16.418 -1.454 1.00 0.00 H new ATOM 1126 N SER A 78 -13.392 -16.575 0.563 1.00 0.00 N ATOM 1127 CA SER A 78 -13.696 -17.256 1.816 1.00 0.00 C ATOM 1128 C SER A 78 -15.172 -17.638 1.883 1.00 0.00 C ATOM 1129 O SER A 78 -16.051 -16.790 1.734 1.00 0.00 O ATOM 1130 CB SER A 78 -13.335 -16.364 3.006 1.00 0.00 C ATOM 1131 OG SER A 78 -13.918 -15.079 2.877 1.00 0.00 O ATOM 0 H SER A 78 -12.712 -15.819 0.648 1.00 0.00 H new ATOM 0 HA SER A 78 -13.100 -18.168 1.859 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.676 -16.830 3.930 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.251 -16.269 3.078 1.00 0.00 H new ATOM 0 HG SER A 78 -14.823 -15.166 2.510 1.00 0.00 H new ATOM 1137 N GLY A 79 -15.435 -18.922 2.107 1.00 0.00 N ATOM 1138 CA GLY A 79 -16.804 -19.395 2.189 1.00 0.00 C ATOM 1139 C GLY A 79 -17.225 -19.710 3.611 1.00 0.00 C ATOM 1140 O GLY A 79 -16.567 -20.489 4.301 1.00 0.00 O ATOM 0 H GLY A 79 -14.724 -19.643 2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -17.472 -18.639 1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -16.914 -20.289 1.575 1.00 0.00 H new TER 1144 GLY A 79