USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 635 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 35 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 51 SER OG : rot 166:sc= 0.903 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00649) USER MOD Single : A 33 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-0.06) USER MOD Single : A 37 GLN : amide:sc= -2.02 K(o=-2,f=-1) USER MOD Single : A 43 LYS NZ :NH3+ -100:sc= -0.486 (180deg=-1.59!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 40:sc= 0.367 USER MOD Single : A 52 SER OG : rot 180:sc= -0.464 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.971 K(o=-0.97,f=-2.2!) USER MOD Single : A 91 TYR OH : rot 93:sc= 1.7 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0212 USER MOD Single : A 94 HIS : no HD1:sc= -0.0665 K(o=-0.066,f=-0.99) USER MOD Single : A 98 LYS NZ :NH3+ -128:sc= -10.2! (180deg=-14.7!) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 23 -6.502 10.086 -6.676 1.00 0.00 N ATOM 28 CA LEU A 23 -6.501 8.668 -6.351 1.00 0.00 C ATOM 29 C LEU A 23 -6.344 8.458 -4.850 1.00 0.00 C ATOM 30 O LEU A 23 -5.524 9.108 -4.203 1.00 0.00 O ATOM 31 CB LEU A 23 -5.400 7.958 -7.134 1.00 0.00 C ATOM 32 CG LEU A 23 -5.548 8.075 -8.651 1.00 0.00 C ATOM 33 CD1 LEU A 23 -4.611 9.139 -9.203 1.00 0.00 C ATOM 34 CD2 LEU A 23 -5.303 6.732 -9.320 1.00 0.00 C ATOM 0 HA LEU A 23 -7.459 8.236 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.435 8.370 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.394 6.903 -6.859 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.571 8.380 -8.873 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.733 9.206 -10.284 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.848 10.102 -8.751 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.580 8.872 -8.970 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.413 6.838 -10.399 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.294 6.390 -9.090 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.026 6.004 -8.951 1.00 0.00 H new ATOM 46 N ARG A 24 -7.158 7.563 -4.300 1.00 0.00 N ATOM 47 CA ARG A 24 -7.136 7.278 -2.872 1.00 0.00 C ATOM 48 C ARG A 24 -6.435 5.955 -2.578 1.00 0.00 C ATOM 49 O ARG A 24 -6.802 4.908 -3.111 1.00 0.00 O ATOM 50 CB ARG A 24 -8.570 7.265 -2.320 1.00 0.00 C ATOM 51 CG ARG A 24 -8.793 6.296 -1.167 1.00 0.00 C ATOM 52 CD ARG A 24 -10.021 6.671 -0.353 1.00 0.00 C ATOM 53 NE ARG A 24 -11.230 6.022 -0.855 1.00 0.00 N ATOM 54 CZ ARG A 24 -12.464 6.437 -0.577 1.00 0.00 C ATOM 55 NH1 ARG A 24 -12.657 7.498 0.196 1.00 0.00 N ATOM 56 NH2 ARG A 24 -13.508 5.788 -1.075 1.00 0.00 N ATOM 0 H ARG A 24 -7.844 7.021 -4.826 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.570 8.066 -2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.827 8.271 -1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.255 7.011 -3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.909 5.285 -1.557 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.915 6.289 -0.521 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.865 6.390 0.689 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.154 7.753 -0.375 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.122 5.203 -1.453 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.857 8.001 0.581 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.605 7.811 0.405 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.365 4.972 -1.670 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.454 6.105 -0.863 1.00 0.00 H new ATOM 70 N LEU A 25 -5.433 6.017 -1.710 1.00 0.00 N ATOM 71 CA LEU A 25 -4.679 4.841 -1.314 1.00 0.00 C ATOM 72 C LEU A 25 -5.334 4.194 -0.098 1.00 0.00 C ATOM 73 O LEU A 25 -5.860 4.889 0.772 1.00 0.00 O ATOM 74 CB LEU A 25 -3.241 5.238 -0.990 1.00 0.00 C ATOM 75 CG LEU A 25 -2.204 4.144 -1.187 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.804 4.685 -0.959 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.479 2.973 -0.263 1.00 0.00 C ATOM 0 H LEU A 25 -5.124 6.881 -1.264 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.671 4.123 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.968 6.090 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.199 5.573 0.046 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.272 3.792 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.077 3.886 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.605 5.490 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.723 5.068 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.726 2.201 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.443 3.310 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.467 2.565 -0.477 1.00 0.00 H new ATOM 89 N SER A 26 -5.311 2.868 -0.038 1.00 0.00 N ATOM 90 CA SER A 26 -5.922 2.156 1.084 1.00 0.00 C ATOM 91 C SER A 26 -5.141 0.899 1.433 1.00 0.00 C ATOM 92 O SER A 26 -5.163 -0.081 0.693 1.00 0.00 O ATOM 93 CB SER A 26 -7.371 1.791 0.752 1.00 0.00 C ATOM 94 OG SER A 26 -8.134 2.949 0.458 1.00 0.00 O ATOM 0 H SER A 26 -4.882 2.268 -0.742 1.00 0.00 H new ATOM 0 HA SER A 26 -5.905 2.819 1.949 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.392 1.112 -0.100 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.818 1.261 1.593 1.00 0.00 H new ATOM 0 HG SER A 26 -9.055 2.689 0.248 1.00 0.00 H new ATOM 100 N VAL A 27 -4.453 0.928 2.569 1.00 0.00 N ATOM 101 CA VAL A 27 -3.668 -0.218 3.004 1.00 0.00 C ATOM 102 C VAL A 27 -4.379 -1.011 4.091 1.00 0.00 C ATOM 103 O VAL A 27 -4.702 -0.482 5.155 1.00 0.00 O ATOM 104 CB VAL A 27 -2.280 0.203 3.515 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.380 0.945 4.838 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.385 -1.013 3.649 1.00 0.00 C ATOM 0 H VAL A 27 -4.424 1.728 3.201 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.546 -0.852 2.126 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.841 0.886 2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.382 1.229 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.988 1.841 4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.842 0.298 5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.404 -0.705 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.829 -1.715 4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.278 -1.495 2.677 1.00 0.00 H new ATOM 116 N PHE A 28 -4.615 -2.286 3.813 1.00 0.00 N ATOM 117 CA PHE A 28 -5.281 -3.160 4.753 1.00 0.00 C ATOM 118 C PHE A 28 -4.296 -4.096 5.444 1.00 0.00 C ATOM 119 O PHE A 28 -3.501 -4.775 4.794 1.00 0.00 O ATOM 120 CB PHE A 28 -6.355 -3.975 4.042 1.00 0.00 C ATOM 121 CG PHE A 28 -7.570 -4.150 4.886 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.306 -3.047 5.273 1.00 0.00 C ATOM 123 CD2 PHE A 28 -7.962 -5.404 5.315 1.00 0.00 C ATOM 124 CE1 PHE A 28 -9.417 -3.190 6.073 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.070 -5.556 6.120 1.00 0.00 C ATOM 126 CZ PHE A 28 -9.801 -4.447 6.501 1.00 0.00 C ATOM 0 H PHE A 28 -4.351 -2.735 2.936 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.744 -2.534 5.516 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.629 -3.480 3.110 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.953 -4.953 3.777 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.007 -2.063 4.945 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.395 -6.273 5.016 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.988 -2.321 6.366 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.366 -6.540 6.452 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.670 -4.562 7.132 1.00 0.00 H new ATOM 136 N ARG A 29 -4.371 -4.132 6.767 1.00 0.00 N ATOM 137 CA ARG A 29 -3.507 -4.989 7.570 1.00 0.00 C ATOM 138 C ARG A 29 -4.329 -5.661 8.664 1.00 0.00 C ATOM 139 O ARG A 29 -4.911 -4.988 9.514 1.00 0.00 O ATOM 140 CB ARG A 29 -2.362 -4.178 8.194 1.00 0.00 C ATOM 141 CG ARG A 29 -2.612 -2.677 8.200 1.00 0.00 C ATOM 142 CD ARG A 29 -1.668 -1.953 9.142 1.00 0.00 C ATOM 143 NE ARG A 29 -2.351 -0.919 9.916 1.00 0.00 N ATOM 144 CZ ARG A 29 -3.163 -1.175 10.939 1.00 0.00 C ATOM 145 NH1 ARG A 29 -3.395 -2.427 11.315 1.00 0.00 N ATOM 146 NH2 ARG A 29 -3.744 -0.176 11.589 1.00 0.00 N ATOM 0 H ARG A 29 -5.027 -3.573 7.312 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.071 -5.751 6.923 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.205 -4.516 9.218 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.442 -4.383 7.646 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.491 -2.284 7.191 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.642 -2.481 8.496 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.212 -2.673 9.822 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.859 -1.501 8.568 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.197 0.056 9.657 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.950 -3.199 10.819 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.018 -2.617 12.100 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.569 0.788 11.305 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.366 -0.371 12.373 1.00 0.00 H new ATOM 160 N SER A 30 -4.381 -6.987 8.636 1.00 0.00 N ATOM 161 CA SER A 30 -5.144 -7.735 9.630 1.00 0.00 C ATOM 162 C SER A 30 -4.270 -8.066 10.835 1.00 0.00 C ATOM 163 O SER A 30 -4.361 -7.423 11.880 1.00 0.00 O ATOM 164 CB SER A 30 -5.701 -9.020 9.015 1.00 0.00 C ATOM 165 OG SER A 30 -6.899 -8.768 8.301 1.00 0.00 O ATOM 0 H SER A 30 -3.908 -7.564 7.941 1.00 0.00 H new ATOM 0 HA SER A 30 -5.977 -7.115 9.963 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.960 -9.457 8.345 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.890 -9.751 9.801 1.00 0.00 H new ATOM 0 HG SER A 30 -7.233 -9.605 7.917 1.00 0.00 H new ATOM 171 N LEU A 31 -3.415 -9.068 10.671 1.00 0.00 N ATOM 172 CA LEU A 31 -2.507 -9.487 11.730 1.00 0.00 C ATOM 173 C LEU A 31 -1.109 -9.688 11.162 1.00 0.00 C ATOM 174 O LEU A 31 -0.161 -9.006 11.552 1.00 0.00 O ATOM 175 CB LEU A 31 -3.003 -10.780 12.382 1.00 0.00 C ATOM 176 CG LEU A 31 -4.025 -10.588 13.504 1.00 0.00 C ATOM 177 CD1 LEU A 31 -5.441 -10.709 12.962 1.00 0.00 C ATOM 178 CD2 LEU A 31 -3.791 -11.597 14.618 1.00 0.00 C ATOM 0 H LEU A 31 -3.332 -9.608 9.810 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.474 -8.708 12.492 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.446 -11.411 11.611 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.145 -11.320 12.781 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.899 -9.587 13.916 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.155 -10.570 13.774 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.605 -9.947 12.200 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.579 -11.697 12.523 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.527 -11.445 15.407 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.888 -12.607 14.220 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.789 -11.463 15.026 1.00 0.00 H new ATOM 190 N LYS A 32 -0.997 -10.619 10.222 1.00 0.00 N ATOM 191 CA LYS A 32 0.275 -10.907 9.573 1.00 0.00 C ATOM 192 C LYS A 32 0.180 -10.652 8.069 1.00 0.00 C ATOM 193 O LYS A 32 1.002 -11.143 7.295 1.00 0.00 O ATOM 194 CB LYS A 32 0.689 -12.357 9.836 1.00 0.00 C ATOM 195 CG LYS A 32 2.132 -12.504 10.292 1.00 0.00 C ATOM 196 CD LYS A 32 2.648 -13.915 10.061 1.00 0.00 C ATOM 197 CE LYS A 32 4.120 -13.915 9.684 1.00 0.00 C ATOM 198 NZ LYS A 32 4.978 -13.418 10.794 1.00 0.00 N ATOM 0 H LYS A 32 -1.776 -11.189 9.892 1.00 0.00 H new ATOM 0 HA LYS A 32 1.032 -10.243 9.991 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.032 -12.782 10.595 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.543 -12.939 8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.759 -11.793 9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.207 -12.257 11.351 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.502 -14.509 10.963 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.069 -14.390 9.270 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.425 -14.926 9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.269 -13.291 8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.978 -13.482 10.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.739 -12.427 11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.818 -13.997 11.643 1.00 0.00 H new ATOM 212 N HIS A 33 -0.833 -9.887 7.661 1.00 0.00 N ATOM 213 CA HIS A 33 -1.039 -9.575 6.250 1.00 0.00 C ATOM 214 C HIS A 33 -0.926 -8.075 5.993 1.00 0.00 C ATOM 215 O HIS A 33 -0.982 -7.267 6.920 1.00 0.00 O ATOM 216 CB HIS A 33 -2.412 -10.072 5.793 1.00 0.00 C ATOM 217 CG HIS A 33 -2.634 -11.534 6.024 1.00 0.00 C ATOM 218 ND1 HIS A 33 -3.865 -12.140 5.880 1.00 0.00 N ATOM 219 CD2 HIS A 33 -1.775 -12.515 6.390 1.00 0.00 C ATOM 220 CE1 HIS A 33 -3.753 -13.429 6.149 1.00 0.00 C ATOM 221 NE2 HIS A 33 -2.496 -13.682 6.460 1.00 0.00 N ATOM 0 H HIS A 33 -1.522 -9.473 8.289 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.261 -10.082 5.680 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.184 -9.510 6.318 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.529 -9.860 4.730 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.720 -12.401 6.590 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.554 -14.152 6.119 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.120 -14.596 6.712 1.00 0.00 H new ATOM 230 N ILE A 34 -0.768 -7.715 4.723 1.00 0.00 N ATOM 231 CA ILE A 34 -0.648 -6.328 4.321 1.00 0.00 C ATOM 232 C ILE A 34 -1.074 -6.169 2.861 1.00 0.00 C ATOM 233 O ILE A 34 -0.577 -6.879 1.987 1.00 0.00 O ATOM 234 CB ILE A 34 0.799 -5.837 4.486 1.00 0.00 C ATOM 235 CG1 ILE A 34 0.905 -4.390 4.033 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.749 -6.726 3.697 1.00 0.00 C ATOM 237 CD1 ILE A 34 0.018 -3.456 4.823 1.00 0.00 C ATOM 0 H ILE A 34 -0.720 -8.378 3.950 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.298 -5.730 4.960 1.00 0.00 H new ATOM 0 HB ILE A 34 1.081 -5.892 5.538 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.940 -4.062 4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.642 -4.326 2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.771 -6.368 3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.676 -7.750 4.062 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.481 -6.698 2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.139 -2.438 4.452 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.022 -3.761 4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.297 -3.494 5.876 1.00 0.00 H new ATOM 249 N TYR A 35 -2.013 -5.262 2.599 1.00 0.00 N ATOM 250 CA TYR A 35 -2.507 -5.061 1.238 1.00 0.00 C ATOM 251 C TYR A 35 -2.752 -3.586 0.916 1.00 0.00 C ATOM 252 O TYR A 35 -3.703 -2.990 1.414 1.00 0.00 O ATOM 253 CB TYR A 35 -3.817 -5.835 1.046 1.00 0.00 C ATOM 254 CG TYR A 35 -3.639 -7.333 0.937 1.00 0.00 C ATOM 255 CD1 TYR A 35 -3.190 -8.081 2.019 1.00 0.00 C ATOM 256 CD2 TYR A 35 -3.920 -8.000 -0.249 1.00 0.00 C ATOM 257 CE1 TYR A 35 -3.024 -9.449 1.921 1.00 0.00 C ATOM 258 CE2 TYR A 35 -3.759 -9.369 -0.354 1.00 0.00 C ATOM 259 CZ TYR A 35 -3.311 -10.088 0.734 1.00 0.00 C ATOM 260 OH TYR A 35 -3.147 -11.451 0.633 1.00 0.00 O ATOM 0 H TYR A 35 -2.443 -4.661 3.302 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.737 -5.428 0.560 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.480 -5.619 1.883 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.312 -5.472 0.145 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.967 -7.585 2.952 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.270 -7.440 -1.103 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.671 -10.015 2.770 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.983 -9.872 -1.283 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.394 -11.744 -0.269 1.00 0.00 H new ATOM 270 N ALA A 36 -1.923 -3.011 0.044 1.00 0.00 N ATOM 271 CA ALA A 36 -2.108 -1.623 -0.361 1.00 0.00 C ATOM 272 C ALA A 36 -2.925 -1.570 -1.633 1.00 0.00 C ATOM 273 O ALA A 36 -2.543 -2.133 -2.659 1.00 0.00 O ATOM 274 CB ALA A 36 -0.788 -0.896 -0.569 1.00 0.00 C ATOM 0 H ALA A 36 -1.128 -3.480 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.633 -1.115 0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.983 0.133 -0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.219 -0.901 0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.214 -1.399 -1.348 1.00 0.00 H new ATOM 280 N GLN A 37 -4.044 -0.886 -1.559 1.00 0.00 N ATOM 281 CA GLN A 37 -4.922 -0.746 -2.703 1.00 0.00 C ATOM 282 C GLN A 37 -4.974 0.699 -3.148 1.00 0.00 C ATOM 283 O GLN A 37 -5.413 1.578 -2.407 1.00 0.00 O ATOM 284 CB GLN A 37 -6.333 -1.242 -2.384 1.00 0.00 C ATOM 285 CG GLN A 37 -7.118 -1.672 -3.613 1.00 0.00 C ATOM 286 CD GLN A 37 -7.705 -3.063 -3.474 1.00 0.00 C ATOM 287 OE1 GLN A 37 -8.887 -3.280 -3.740 1.00 0.00 O ATOM 288 NE2 GLN A 37 -6.880 -4.015 -3.054 1.00 0.00 N ATOM 0 H GLN A 37 -4.371 -0.415 -0.715 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.520 -1.358 -3.510 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.266 -2.082 -1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.880 -0.451 -1.872 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.922 -0.959 -3.793 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.465 -1.643 -4.485 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.907 -3.791 -2.845 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.219 -4.970 -2.941 1.00 0.00 H new ATOM 297 N ILE A 38 -4.524 0.934 -4.362 1.00 0.00 N ATOM 298 CA ILE A 38 -4.515 2.267 -4.921 1.00 0.00 C ATOM 299 C ILE A 38 -5.704 2.434 -5.852 1.00 0.00 C ATOM 300 O ILE A 38 -5.723 1.906 -6.967 1.00 0.00 O ATOM 301 CB ILE A 38 -3.197 2.564 -5.663 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.055 1.661 -5.132 1.00 0.00 C ATOM 303 CG2 ILE A 38 -2.858 4.041 -5.525 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.105 2.317 -4.155 1.00 0.00 C ATOM 0 H ILE A 38 -4.157 0.213 -4.984 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.592 2.983 -4.103 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.318 2.338 -6.722 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.499 0.790 -4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.479 1.296 -5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.926 4.251 -6.050 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.660 4.640 -5.956 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.745 4.291 -4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.346 1.598 -3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.624 3.171 -4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.660 2.656 -3.280 1.00 0.00 H new ATOM 316 N ILE A 39 -6.715 3.135 -5.356 1.00 0.00 N ATOM 317 CA ILE A 39 -7.951 3.346 -6.099 1.00 0.00 C ATOM 318 C ILE A 39 -8.069 4.765 -6.641 1.00 0.00 C ATOM 319 O ILE A 39 -7.400 5.682 -6.172 1.00 0.00 O ATOM 320 CB ILE A 39 -9.172 3.066 -5.198 1.00 0.00 C ATOM 321 CG1 ILE A 39 -8.989 1.746 -4.446 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.454 3.047 -6.014 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.302 1.909 -3.107 1.00 0.00 C ATOM 0 H ILE A 39 -6.703 3.571 -4.434 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.927 2.655 -6.942 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.250 3.871 -4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.965 1.285 -4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.408 1.062 -5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.301 2.848 -5.357 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.591 4.013 -6.499 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.391 2.266 -6.772 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.204 0.935 -2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.312 2.341 -3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -8.894 2.568 -2.472 1.00 0.00 H new ATOM 335 N ASP A 40 -8.953 4.932 -7.619 1.00 0.00 N ATOM 336 CA ASP A 40 -9.208 6.230 -8.220 1.00 0.00 C ATOM 337 C ASP A 40 -10.370 6.892 -7.493 1.00 0.00 C ATOM 338 O ASP A 40 -11.503 6.391 -7.532 1.00 0.00 O ATOM 339 CB ASP A 40 -9.534 6.087 -9.710 1.00 0.00 C ATOM 340 CG ASP A 40 -9.156 7.319 -10.509 1.00 0.00 C ATOM 341 OD1 ASP A 40 -8.523 8.231 -9.934 1.00 0.00 O ATOM 342 OD2 ASP A 40 -9.494 7.374 -11.710 1.00 0.00 O ATOM 0 H ASP A 40 -9.509 4.173 -8.014 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.314 6.846 -8.129 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.007 5.222 -10.112 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.600 5.894 -9.828 1.00 0.00 H new ATOM 347 N ASP A 41 -10.061 7.999 -6.816 1.00 0.00 N ATOM 348 CA ASP A 41 -11.038 8.758 -6.033 1.00 0.00 C ATOM 349 C ASP A 41 -11.692 9.872 -6.851 1.00 0.00 C ATOM 350 O ASP A 41 -12.231 10.829 -6.296 1.00 0.00 O ATOM 351 CB ASP A 41 -10.370 9.355 -4.794 1.00 0.00 C ATOM 352 CG ASP A 41 -11.375 9.924 -3.812 1.00 0.00 C ATOM 353 OD1 ASP A 41 -12.435 9.293 -3.616 1.00 0.00 O ATOM 354 OD2 ASP A 41 -11.103 11.000 -3.239 1.00 0.00 O ATOM 0 H ASP A 41 -9.122 8.396 -6.795 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.821 8.062 -5.733 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.777 8.586 -4.298 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.680 10.141 -5.100 1.00 0.00 H new ATOM 359 N GLU A 42 -11.687 9.707 -8.162 1.00 0.00 N ATOM 360 CA GLU A 42 -12.326 10.655 -9.070 1.00 0.00 C ATOM 361 C GLU A 42 -13.539 9.935 -9.607 1.00 0.00 C ATOM 362 O GLU A 42 -14.672 10.414 -9.551 1.00 0.00 O ATOM 363 CB GLU A 42 -11.372 11.058 -10.199 1.00 0.00 C ATOM 364 CG GLU A 42 -12.051 11.797 -11.339 1.00 0.00 C ATOM 365 CD GLU A 42 -11.197 12.918 -11.898 1.00 0.00 C ATOM 366 OE1 GLU A 42 -10.158 12.618 -12.522 1.00 0.00 O ATOM 367 OE2 GLU A 42 -11.567 14.096 -11.710 1.00 0.00 O ATOM 0 H GLU A 42 -11.243 8.917 -8.630 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.601 11.581 -8.565 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.583 11.688 -9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.892 10.163 -10.594 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.285 11.091 -12.136 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.998 12.207 -10.988 1.00 0.00 H new ATOM 374 N LYS A 43 -13.259 8.716 -10.022 1.00 0.00 N ATOM 375 CA LYS A 43 -14.247 7.776 -10.472 1.00 0.00 C ATOM 376 C LYS A 43 -13.897 6.483 -9.766 1.00 0.00 C ATOM 377 O LYS A 43 -12.793 5.971 -9.941 1.00 0.00 O ATOM 378 CB LYS A 43 -14.193 7.598 -11.991 1.00 0.00 C ATOM 379 CG LYS A 43 -15.097 8.555 -12.752 1.00 0.00 C ATOM 380 CD LYS A 43 -14.411 9.887 -13.008 1.00 0.00 C ATOM 381 CE LYS A 43 -13.240 9.736 -13.965 1.00 0.00 C ATOM 382 NZ LYS A 43 -12.810 11.046 -14.529 1.00 0.00 N ATOM 0 H LYS A 43 -12.308 8.348 -10.054 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.259 8.111 -10.246 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.166 7.738 -12.328 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.473 6.574 -12.238 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.386 8.106 -13.702 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.013 8.720 -12.185 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.130 10.594 -13.420 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.059 10.304 -12.064 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.402 9.273 -13.443 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.519 9.065 -14.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.204 11.158 -15.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.154 11.816 -13.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.772 11.080 -14.576 1.00 0.00 H new ATOM 396 N GLY A 44 -14.798 5.979 -8.937 1.00 0.00 N ATOM 397 CA GLY A 44 -14.505 4.770 -8.189 1.00 0.00 C ATOM 398 C GLY A 44 -13.859 3.703 -9.046 1.00 0.00 C ATOM 399 O GLY A 44 -14.552 2.906 -9.679 1.00 0.00 O ATOM 0 H GLY A 44 -15.721 6.380 -8.768 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.845 5.012 -7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.428 4.379 -7.761 1.00 0.00 H new ATOM 403 N VAL A 45 -12.527 3.707 -9.097 1.00 0.00 N ATOM 404 CA VAL A 45 -11.816 2.739 -9.930 1.00 0.00 C ATOM 405 C VAL A 45 -10.562 2.181 -9.260 1.00 0.00 C ATOM 406 O VAL A 45 -9.575 2.888 -9.097 1.00 0.00 O ATOM 407 CB VAL A 45 -11.403 3.393 -11.264 1.00 0.00 C ATOM 408 CG1 VAL A 45 -10.649 2.406 -12.148 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.622 3.947 -11.990 1.00 0.00 C ATOM 0 H VAL A 45 -11.930 4.355 -8.583 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.507 1.912 -10.095 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.731 4.222 -11.040 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.370 2.894 -13.082 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.750 2.069 -11.632 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.287 1.549 -12.363 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.310 4.404 -12.929 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.322 3.137 -12.196 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.108 4.697 -11.365 1.00 0.00 H new ATOM 419 N THR A 46 -10.583 0.894 -8.922 1.00 0.00 N ATOM 420 CA THR A 46 -9.417 0.255 -8.320 1.00 0.00 C ATOM 421 C THR A 46 -8.386 -0.030 -9.407 1.00 0.00 C ATOM 422 O THR A 46 -8.641 -0.811 -10.323 1.00 0.00 O ATOM 423 CB THR A 46 -9.810 -1.043 -7.607 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.070 -0.906 -6.975 1.00 0.00 O ATOM 425 CG2 THR A 46 -8.810 -1.475 -6.552 1.00 0.00 C ATOM 0 H THR A 46 -11.386 0.279 -9.053 1.00 0.00 H new ATOM 0 HA THR A 46 -8.989 0.927 -7.576 1.00 0.00 H new ATOM 0 HB THR A 46 -9.840 -1.803 -8.388 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.304 -1.745 -6.527 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.149 -2.400 -6.086 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.838 -1.638 -7.017 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.723 -0.698 -5.793 1.00 0.00 H new ATOM 433 N LEU A 47 -7.236 0.629 -9.322 1.00 0.00 N ATOM 434 CA LEU A 47 -6.195 0.459 -10.328 1.00 0.00 C ATOM 435 C LEU A 47 -5.173 -0.597 -9.929 1.00 0.00 C ATOM 436 O LEU A 47 -4.983 -1.583 -10.641 1.00 0.00 O ATOM 437 CB LEU A 47 -5.488 1.787 -10.596 1.00 0.00 C ATOM 438 CG LEU A 47 -6.396 3.009 -10.598 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.538 3.585 -9.199 1.00 0.00 C ATOM 440 CD2 LEU A 47 -5.869 4.059 -11.561 1.00 0.00 C ATOM 0 H LEU A 47 -7.002 1.281 -8.573 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.687 0.117 -11.238 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.715 1.929 -9.841 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.984 1.725 -11.561 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.385 2.698 -10.933 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.192 4.457 -9.229 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.967 2.832 -8.537 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.557 3.880 -8.826 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.529 4.926 -11.551 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.867 4.362 -11.256 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.832 3.643 -12.568 1.00 0.00 H new ATOM 452 N VAL A 48 -4.494 -0.381 -8.807 1.00 0.00 N ATOM 453 CA VAL A 48 -3.477 -1.318 -8.361 1.00 0.00 C ATOM 454 C VAL A 48 -3.750 -1.833 -6.951 1.00 0.00 C ATOM 455 O VAL A 48 -4.237 -1.105 -6.087 1.00 0.00 O ATOM 456 CB VAL A 48 -2.080 -0.662 -8.426 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.149 -1.224 -7.363 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.484 -0.838 -9.813 1.00 0.00 C ATOM 0 H VAL A 48 -4.629 0.426 -8.198 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.507 -2.175 -9.034 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.197 0.403 -8.225 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.176 -0.739 -7.439 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.571 -1.039 -6.375 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.032 -2.297 -7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.499 -0.372 -9.848 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.391 -1.901 -10.037 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.134 -0.368 -10.551 1.00 0.00 H new ATOM 468 N SER A 49 -3.412 -3.100 -6.734 1.00 0.00 N ATOM 469 CA SER A 49 -3.590 -3.742 -5.439 1.00 0.00 C ATOM 470 C SER A 49 -2.529 -4.820 -5.246 1.00 0.00 C ATOM 471 O SER A 49 -2.497 -5.809 -5.978 1.00 0.00 O ATOM 472 CB SER A 49 -4.990 -4.349 -5.332 1.00 0.00 C ATOM 473 OG SER A 49 -5.251 -5.231 -6.411 1.00 0.00 O ATOM 0 H SER A 49 -3.009 -3.707 -7.448 1.00 0.00 H new ATOM 0 HA SER A 49 -3.480 -2.992 -4.656 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.085 -4.887 -4.389 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.734 -3.553 -5.322 1.00 0.00 H new ATOM 0 HG SER A 49 -4.447 -5.755 -6.607 1.00 0.00 H new ATOM 479 N ALA A 50 -1.650 -4.616 -4.271 1.00 0.00 N ATOM 480 CA ALA A 50 -0.577 -5.568 -4.003 1.00 0.00 C ATOM 481 C ALA A 50 -0.538 -5.979 -2.535 1.00 0.00 C ATOM 482 O ALA A 50 -1.102 -5.304 -1.673 1.00 0.00 O ATOM 483 CB ALA A 50 0.762 -4.976 -4.419 1.00 0.00 C ATOM 0 H ALA A 50 -1.659 -3.803 -3.655 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.775 -6.465 -4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.556 -5.694 -4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.744 -4.748 -5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.946 -4.061 -3.856 1.00 0.00 H new ATOM 489 N SER A 51 0.136 -7.093 -2.262 1.00 0.00 N ATOM 490 CA SER A 51 0.258 -7.605 -0.903 1.00 0.00 C ATOM 491 C SER A 51 1.572 -8.364 -0.723 1.00 0.00 C ATOM 492 O SER A 51 2.041 -9.037 -1.639 1.00 0.00 O ATOM 493 CB SER A 51 -0.930 -8.513 -0.575 1.00 0.00 C ATOM 494 OG SER A 51 -0.558 -9.881 -0.580 1.00 0.00 O ATOM 0 H SER A 51 0.607 -7.659 -2.968 1.00 0.00 H new ATOM 0 HA SER A 51 0.258 -6.759 -0.215 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.332 -8.248 0.403 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.726 -8.349 -1.302 1.00 0.00 H new ATOM 0 HG SER A 51 -1.260 -10.413 -0.151 1.00 0.00 H new ATOM 500 N SER A 52 2.160 -8.248 0.463 1.00 0.00 N ATOM 501 CA SER A 52 3.421 -8.919 0.763 1.00 0.00 C ATOM 502 C SER A 52 3.320 -10.427 0.539 1.00 0.00 C ATOM 503 O SER A 52 4.183 -11.025 -0.104 1.00 0.00 O ATOM 504 CB SER A 52 3.840 -8.633 2.205 1.00 0.00 C ATOM 505 OG SER A 52 3.069 -9.392 3.121 1.00 0.00 O ATOM 0 H SER A 52 1.784 -7.695 1.233 1.00 0.00 H new ATOM 0 HA SER A 52 4.177 -8.527 0.082 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.897 -8.867 2.333 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.721 -7.571 2.418 1.00 0.00 H new ATOM 0 HG SER A 52 3.358 -9.192 4.036 1.00 0.00 H new ATOM 679 N GLU A 63 7.997 -7.209 6.906 1.00 0.00 N ATOM 680 CA GLU A 63 9.307 -7.458 6.319 1.00 0.00 C ATOM 681 C GLU A 63 9.352 -6.963 4.878 1.00 0.00 C ATOM 682 O GLU A 63 10.235 -6.192 4.502 1.00 0.00 O ATOM 683 CB GLU A 63 9.634 -8.952 6.369 1.00 0.00 C ATOM 684 CG GLU A 63 11.123 -9.250 6.304 1.00 0.00 C ATOM 685 CD GLU A 63 11.851 -8.864 7.576 1.00 0.00 C ATOM 686 OE1 GLU A 63 11.192 -8.780 8.635 1.00 0.00 O ATOM 687 OE2 GLU A 63 13.079 -8.645 7.515 1.00 0.00 O ATOM 0 HA GLU A 63 10.052 -6.912 6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.227 -9.374 7.288 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.135 -9.453 5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.269 -10.313 6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.561 -8.713 5.462 1.00 0.00 H new ATOM 694 N VAL A 64 8.392 -7.412 4.076 1.00 0.00 N ATOM 695 CA VAL A 64 8.318 -7.016 2.676 1.00 0.00 C ATOM 696 C VAL A 64 7.392 -5.819 2.480 1.00 0.00 C ATOM 697 O VAL A 64 7.428 -5.175 1.436 1.00 0.00 O ATOM 698 CB VAL A 64 7.820 -8.171 1.787 1.00 0.00 C ATOM 699 CG1 VAL A 64 7.860 -7.777 0.317 1.00 0.00 C ATOM 700 CG2 VAL A 64 8.643 -9.427 2.032 1.00 0.00 C ATOM 0 H VAL A 64 7.654 -8.051 4.373 1.00 0.00 H new ATOM 0 HA VAL A 64 9.331 -6.743 2.382 1.00 0.00 H new ATOM 0 HB VAL A 64 6.784 -8.384 2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.504 -8.608 -0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.221 -6.909 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.884 -7.532 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.277 -10.232 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.689 -9.228 1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.554 -9.722 3.077 1.00 0.00 H new ATOM 710 N ALA A 65 6.555 -5.532 3.481 1.00 0.00 N ATOM 711 CA ALA A 65 5.607 -4.416 3.403 1.00 0.00 C ATOM 712 C ALA A 65 6.135 -3.272 2.543 1.00 0.00 C ATOM 713 O ALA A 65 5.409 -2.716 1.729 1.00 0.00 O ATOM 714 CB ALA A 65 5.262 -3.909 4.790 1.00 0.00 C ATOM 0 H ALA A 65 6.514 -6.057 4.355 1.00 0.00 H new ATOM 0 HA ALA A 65 4.704 -4.797 2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.557 -3.081 4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.811 -4.714 5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.169 -3.567 5.288 1.00 0.00 H new ATOM 720 N ARG A 66 7.405 -2.938 2.705 1.00 0.00 N ATOM 721 CA ARG A 66 7.998 -1.875 1.907 1.00 0.00 C ATOM 722 C ARG A 66 8.066 -2.315 0.470 1.00 0.00 C ATOM 723 O ARG A 66 7.455 -1.717 -0.413 1.00 0.00 O ATOM 724 CB ARG A 66 9.393 -1.533 2.396 1.00 0.00 C ATOM 725 CG ARG A 66 9.654 -0.047 2.399 1.00 0.00 C ATOM 726 CD ARG A 66 10.854 0.303 1.555 1.00 0.00 C ATOM 727 NE ARG A 66 12.061 -0.398 1.990 1.00 0.00 N ATOM 728 CZ ARG A 66 12.973 0.122 2.811 1.00 0.00 C ATOM 729 NH1 ARG A 66 12.819 1.345 3.304 1.00 0.00 N ATOM 730 NH2 ARG A 66 14.042 -0.588 3.143 1.00 0.00 N ATOM 0 H ARG A 66 8.038 -3.380 3.372 1.00 0.00 H new ATOM 0 HA ARG A 66 7.376 -0.985 2.001 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.528 -1.925 3.404 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.129 -2.027 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.777 0.479 2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.815 0.294 3.422 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.648 0.055 0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.025 1.379 1.599 1.00 0.00 H new ATOM 0 HE ARG A 66 12.215 -1.345 1.643 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.997 1.895 3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.523 1.734 3.932 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.165 -1.530 2.770 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.742 -0.193 3.771 1.00 0.00 H new ATOM 744 N GLN A 67 8.793 -3.395 0.252 1.00 0.00 N ATOM 745 CA GLN A 67 8.920 -3.964 -1.074 1.00 0.00 C ATOM 746 C GLN A 67 7.537 -4.085 -1.709 1.00 0.00 C ATOM 747 O GLN A 67 7.395 -4.051 -2.933 1.00 0.00 O ATOM 748 CB GLN A 67 9.593 -5.335 -1.006 1.00 0.00 C ATOM 749 CG GLN A 67 11.107 -5.274 -1.123 1.00 0.00 C ATOM 750 CD GLN A 67 11.809 -6.129 -0.086 1.00 0.00 C ATOM 751 OE1 GLN A 67 12.477 -5.614 0.811 1.00 0.00 O ATOM 752 NE2 GLN A 67 11.661 -7.443 -0.205 1.00 0.00 N ATOM 0 H GLN A 67 9.305 -3.896 0.978 1.00 0.00 H new ATOM 0 HA GLN A 67 9.541 -3.309 -1.685 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.328 -5.814 -0.063 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.200 -5.964 -1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.404 -5.602 -2.119 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.434 -4.240 -1.017 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.098 -7.826 -0.964 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.110 -8.069 0.463 1.00 0.00 H new ATOM 761 N VAL A 68 6.505 -4.198 -0.863 1.00 0.00 N ATOM 762 CA VAL A 68 5.146 -4.294 -1.366 1.00 0.00 C ATOM 763 C VAL A 68 4.658 -2.924 -1.810 1.00 0.00 C ATOM 764 O VAL A 68 3.993 -2.798 -2.836 1.00 0.00 O ATOM 765 CB VAL A 68 4.155 -4.921 -0.344 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.444 -3.878 0.517 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.129 -5.756 -1.085 1.00 0.00 C ATOM 0 H VAL A 68 6.591 -4.224 0.153 1.00 0.00 H new ATOM 0 HA VAL A 68 5.173 -4.971 -2.220 1.00 0.00 H new ATOM 0 HB VAL A 68 4.742 -5.543 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.767 -4.378 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.182 -3.307 1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.875 -3.204 -0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.434 -6.196 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.580 -5.123 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.635 -6.550 -1.635 1.00 0.00 H new ATOM 777 N GLY A 69 5.015 -1.893 -1.044 1.00 0.00 N ATOM 778 CA GLY A 69 4.615 -0.554 -1.404 1.00 0.00 C ATOM 779 C GLY A 69 5.355 -0.086 -2.620 1.00 0.00 C ATOM 780 O GLY A 69 4.796 0.594 -3.454 1.00 0.00 O ATOM 0 H GLY A 69 5.568 -1.966 -0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.542 -0.529 -1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.808 0.124 -0.572 1.00 0.00 H new ATOM 784 N ARG A 70 6.629 -0.459 -2.717 1.00 0.00 N ATOM 785 CA ARG A 70 7.438 -0.073 -3.861 1.00 0.00 C ATOM 786 C ARG A 70 6.862 -0.714 -5.103 1.00 0.00 C ATOM 787 O ARG A 70 6.840 -0.111 -6.168 1.00 0.00 O ATOM 788 CB ARG A 70 8.905 -0.476 -3.662 1.00 0.00 C ATOM 789 CG ARG A 70 9.219 -1.921 -4.026 1.00 0.00 C ATOM 790 CD ARG A 70 10.698 -2.110 -4.321 1.00 0.00 C ATOM 791 NE ARG A 70 11.114 -3.503 -4.176 1.00 0.00 N ATOM 792 CZ ARG A 70 10.896 -4.441 -5.095 1.00 0.00 C ATOM 793 NH1 ARG A 70 10.264 -4.140 -6.223 1.00 0.00 N ATOM 794 NH2 ARG A 70 11.310 -5.684 -4.886 1.00 0.00 N ATOM 0 H ARG A 70 7.117 -1.023 -2.021 1.00 0.00 H new ATOM 0 HA ARG A 70 7.417 1.011 -3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.534 0.181 -4.263 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.176 -0.310 -2.619 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.923 -2.577 -3.207 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.632 -2.214 -4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.911 -1.772 -5.335 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.284 -1.485 -3.647 1.00 0.00 H new ATOM 0 HE ARG A 70 11.600 -3.773 -3.321 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.943 -3.186 -6.389 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.100 -4.863 -6.924 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.796 -5.921 -4.021 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.143 -6.402 -5.590 1.00 0.00 H new ATOM 808 N ALA A 71 6.375 -1.939 -4.944 1.00 0.00 N ATOM 809 CA ALA A 71 5.771 -2.657 -6.047 1.00 0.00 C ATOM 810 C ALA A 71 4.519 -1.934 -6.518 1.00 0.00 C ATOM 811 O ALA A 71 4.404 -1.588 -7.692 1.00 0.00 O ATOM 812 CB ALA A 71 5.436 -4.079 -5.637 1.00 0.00 C ATOM 0 H ALA A 71 6.389 -2.450 -4.062 1.00 0.00 H new ATOM 0 HA ALA A 71 6.485 -2.696 -6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.983 -4.603 -6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.348 -4.595 -5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.736 -4.061 -4.801 1.00 0.00 H new ATOM 818 N LEU A 72 3.589 -1.688 -5.590 1.00 0.00 N ATOM 819 CA LEU A 72 2.358 -0.990 -5.922 1.00 0.00 C ATOM 820 C LEU A 72 2.678 0.422 -6.371 1.00 0.00 C ATOM 821 O LEU A 72 2.126 0.911 -7.349 1.00 0.00 O ATOM 822 CB LEU A 72 1.381 -0.973 -4.739 1.00 0.00 C ATOM 823 CG LEU A 72 1.988 -0.817 -3.349 1.00 0.00 C ATOM 824 CD1 LEU A 72 1.646 0.547 -2.773 1.00 0.00 C ATOM 825 CD2 LEU A 72 1.476 -1.918 -2.432 1.00 0.00 C ATOM 0 H LEU A 72 3.670 -1.963 -4.611 1.00 0.00 H new ATOM 0 HA LEU A 72 1.870 -1.526 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.674 -0.158 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.808 -1.900 -4.758 1.00 0.00 H new ATOM 0 HG LEU A 72 3.072 -0.898 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.086 0.644 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.043 1.327 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.563 0.651 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.914 -1.799 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.390 -1.855 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.756 -2.890 -2.839 1.00 0.00 H new ATOM 837 N ALA A 73 3.601 1.060 -5.667 1.00 0.00 N ATOM 838 CA ALA A 73 4.024 2.410 -6.023 1.00 0.00 C ATOM 839 C ALA A 73 4.650 2.402 -7.398 1.00 0.00 C ATOM 840 O ALA A 73 4.600 3.394 -8.119 1.00 0.00 O ATOM 841 CB ALA A 73 4.996 2.989 -4.997 1.00 0.00 C ATOM 0 H ALA A 73 4.070 0.669 -4.850 1.00 0.00 H new ATOM 0 HA ALA A 73 3.142 3.050 -6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.287 3.995 -5.299 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.513 3.028 -4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.882 2.357 -4.939 1.00 0.00 H new ATOM 847 N GLU A 74 5.216 1.264 -7.765 1.00 0.00 N ATOM 848 CA GLU A 74 5.827 1.112 -9.064 1.00 0.00 C ATOM 849 C GLU A 74 4.739 0.898 -10.117 1.00 0.00 C ATOM 850 O GLU A 74 4.916 1.233 -11.288 1.00 0.00 O ATOM 851 CB GLU A 74 6.816 -0.048 -9.031 1.00 0.00 C ATOM 852 CG GLU A 74 8.230 0.349 -9.416 1.00 0.00 C ATOM 853 CD GLU A 74 9.075 -0.837 -9.838 1.00 0.00 C ATOM 854 OE1 GLU A 74 8.938 -1.281 -10.998 1.00 0.00 O ATOM 855 OE2 GLU A 74 9.873 -1.323 -9.009 1.00 0.00 O ATOM 0 H GLU A 74 5.262 0.433 -7.176 1.00 0.00 H new ATOM 0 HA GLU A 74 6.378 2.014 -9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.828 -0.476 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.470 -0.829 -9.708 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.191 1.071 -10.232 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.706 0.847 -8.571 1.00 0.00 H new ATOM 862 N LYS A 75 3.593 0.372 -9.674 1.00 0.00 N ATOM 863 CA LYS A 75 2.450 0.153 -10.557 1.00 0.00 C ATOM 864 C LYS A 75 1.679 1.449 -10.703 1.00 0.00 C ATOM 865 O LYS A 75 1.571 2.009 -11.793 1.00 0.00 O ATOM 866 CB LYS A 75 1.515 -0.913 -9.991 1.00 0.00 C ATOM 867 CG LYS A 75 2.232 -2.083 -9.365 1.00 0.00 C ATOM 868 CD LYS A 75 1.278 -3.218 -9.024 1.00 0.00 C ATOM 869 CE LYS A 75 1.943 -4.575 -9.193 1.00 0.00 C ATOM 870 NZ LYS A 75 1.969 -5.343 -7.917 1.00 0.00 N ATOM 0 H LYS A 75 3.435 0.090 -8.706 1.00 0.00 H new ATOM 0 HA LYS A 75 2.823 -0.185 -11.524 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.867 -0.455 -9.244 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.871 -1.279 -10.790 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.999 -2.447 -10.049 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.742 -1.754 -8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.931 -3.107 -7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.398 -3.160 -9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.410 -5.149 -9.951 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.962 -4.438 -9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.430 -6.262 -8.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.499 -4.808 -7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.996 -5.497 -7.584 1.00 0.00 H new ATOM 884 N ALA A 76 1.159 1.928 -9.574 1.00 0.00 N ATOM 885 CA ALA A 76 0.410 3.180 -9.539 1.00 0.00 C ATOM 886 C ALA A 76 1.163 4.240 -10.321 1.00 0.00 C ATOM 887 O ALA A 76 0.591 4.990 -11.113 1.00 0.00 O ATOM 888 CB ALA A 76 0.202 3.648 -8.104 1.00 0.00 C ATOM 0 H ALA A 76 1.244 1.465 -8.669 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.568 3.014 -9.990 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.359 4.583 -8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.355 2.891 -7.551 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.170 3.805 -7.629 1.00 0.00 H new ATOM 894 N LEU A 77 2.469 4.267 -10.102 1.00 0.00 N ATOM 895 CA LEU A 77 3.342 5.194 -10.788 1.00 0.00 C ATOM 896 C LEU A 77 3.209 5.057 -12.298 1.00 0.00 C ATOM 897 O LEU A 77 3.216 6.048 -13.028 1.00 0.00 O ATOM 898 CB LEU A 77 4.785 4.942 -10.375 1.00 0.00 C ATOM 899 CG LEU A 77 5.297 5.780 -9.208 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.730 5.390 -8.879 1.00 0.00 C ATOM 901 CD2 LEU A 77 5.204 7.264 -9.536 1.00 0.00 C ATOM 0 H LEU A 77 2.947 3.649 -9.447 1.00 0.00 H new ATOM 0 HA LEU A 77 3.051 6.207 -10.510 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.890 3.889 -10.115 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.427 5.123 -11.237 1.00 0.00 H new ATOM 0 HG LEU A 77 4.674 5.587 -8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.089 5.993 -8.045 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.767 4.335 -8.607 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.363 5.562 -9.750 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.573 7.847 -8.692 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.807 7.480 -10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.165 7.529 -9.733 1.00 0.00 H new ATOM 913 N ALA A 78 3.087 3.818 -12.755 1.00 0.00 N ATOM 914 CA ALA A 78 2.947 3.534 -14.175 1.00 0.00 C ATOM 915 C ALA A 78 1.795 4.334 -14.779 1.00 0.00 C ATOM 916 O ALA A 78 1.783 4.620 -15.976 1.00 0.00 O ATOM 917 CB ALA A 78 2.750 2.046 -14.379 1.00 0.00 C ATOM 0 H ALA A 78 3.082 2.990 -12.159 1.00 0.00 H new ATOM 0 HA ALA A 78 3.858 3.838 -14.690 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.645 1.835 -15.443 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.612 1.508 -13.986 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.850 1.723 -13.855 1.00 0.00 H new ATOM 923 N LEU A 79 0.848 4.723 -13.930 1.00 0.00 N ATOM 924 CA LEU A 79 -0.288 5.524 -14.354 1.00 0.00 C ATOM 925 C LEU A 79 0.075 6.996 -14.234 1.00 0.00 C ATOM 926 O LEU A 79 -0.470 7.853 -14.929 1.00 0.00 O ATOM 927 CB LEU A 79 -1.512 5.254 -13.468 1.00 0.00 C ATOM 928 CG LEU A 79 -1.549 3.913 -12.732 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.165 4.100 -11.355 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.333 2.886 -13.536 1.00 0.00 C ATOM 0 H LEU A 79 0.849 4.492 -12.936 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.530 5.262 -15.384 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.577 6.050 -12.727 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.404 5.325 -14.090 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.530 3.544 -12.614 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.189 3.143 -10.834 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.567 4.809 -10.782 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.180 4.482 -11.460 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.349 1.938 -12.998 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.354 3.239 -13.680 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.858 2.744 -14.507 1.00 0.00 H new ATOM 942 N GLY A 80 0.992 7.267 -13.314 1.00 0.00 N ATOM 943 CA GLY A 80 1.430 8.615 -13.050 1.00 0.00 C ATOM 944 C GLY A 80 0.913 9.100 -11.714 1.00 0.00 C ATOM 945 O GLY A 80 0.889 10.300 -11.441 1.00 0.00 O ATOM 0 H GLY A 80 1.445 6.558 -12.738 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.519 8.656 -13.059 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.079 9.277 -13.842 1.00 0.00 H new ATOM 949 N ILE A 81 0.493 8.150 -10.877 1.00 0.00 N ATOM 950 CA ILE A 81 -0.032 8.466 -9.562 1.00 0.00 C ATOM 951 C ILE A 81 1.073 8.983 -8.664 1.00 0.00 C ATOM 952 O ILE A 81 1.938 8.233 -8.211 1.00 0.00 O ATOM 953 CB ILE A 81 -0.745 7.238 -8.935 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.136 7.041 -9.566 1.00 0.00 C ATOM 955 CG2 ILE A 81 -0.872 7.381 -7.420 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.336 7.756 -10.891 1.00 0.00 C ATOM 0 H ILE A 81 0.509 7.154 -11.094 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.778 9.254 -9.669 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.133 6.360 -9.142 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.305 5.975 -9.714 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.892 7.389 -8.862 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.376 6.504 -7.013 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.121 7.467 -6.978 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.452 8.274 -7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.343 7.561 -11.261 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.202 8.828 -10.749 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.607 7.392 -11.615 1.00 0.00 H new ATOM 968 N LYS A 82 1.038 10.284 -8.434 1.00 0.00 N ATOM 969 CA LYS A 82 2.018 10.949 -7.625 1.00 0.00 C ATOM 970 C LYS A 82 1.570 11.032 -6.177 1.00 0.00 C ATOM 971 O LYS A 82 2.222 10.505 -5.281 1.00 0.00 O ATOM 972 CB LYS A 82 2.233 12.347 -8.175 1.00 0.00 C ATOM 973 CG LYS A 82 3.486 12.969 -7.650 1.00 0.00 C ATOM 974 CD LYS A 82 3.996 14.078 -8.556 1.00 0.00 C ATOM 975 CE LYS A 82 3.599 15.452 -8.037 1.00 0.00 C ATOM 976 NZ LYS A 82 3.054 16.319 -9.118 1.00 0.00 N ATOM 0 H LYS A 82 0.320 10.904 -8.810 1.00 0.00 H new ATOM 0 HA LYS A 82 2.947 10.380 -7.655 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.277 12.305 -9.263 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.380 12.974 -7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.301 13.371 -6.654 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.255 12.203 -7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.082 14.017 -8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.598 13.939 -9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.853 15.341 -7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.467 15.935 -7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.796 17.246 -8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.774 16.446 -9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.211 15.871 -9.530 1.00 0.00 H new ATOM 990 N GLN A 83 0.452 11.705 -5.966 1.00 0.00 N ATOM 991 CA GLN A 83 -0.104 11.876 -4.634 1.00 0.00 C ATOM 992 C GLN A 83 -1.376 11.055 -4.482 1.00 0.00 C ATOM 993 O GLN A 83 -2.129 10.881 -5.440 1.00 0.00 O ATOM 994 CB GLN A 83 -0.393 13.354 -4.368 1.00 0.00 C ATOM 995 CG GLN A 83 0.645 14.020 -3.484 1.00 0.00 C ATOM 996 CD GLN A 83 1.637 14.856 -4.269 1.00 0.00 C ATOM 997 OE1 GLN A 83 1.288 15.469 -5.278 1.00 0.00 O ATOM 998 NE2 GLN A 83 2.884 14.884 -3.808 1.00 0.00 N ATOM 0 H GLN A 83 -0.093 12.146 -6.707 1.00 0.00 H new ATOM 0 HA GLN A 83 0.626 11.525 -3.904 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.444 13.884 -5.319 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.373 13.447 -3.899 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.141 14.653 -2.754 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.184 13.255 -2.925 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.129 14.360 -2.968 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.596 15.429 -4.295 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.612 10.546 -3.279 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.798 9.738 -3.027 1.00 0.00 C ATOM 1009 C VAL A 84 -3.531 10.187 -1.769 1.00 0.00 C ATOM 1010 O VAL A 84 -2.992 10.927 -0.947 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.465 8.234 -2.890 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.509 7.394 -3.597 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -1.083 7.913 -3.433 1.00 0.00 C ATOM 0 H VAL A 84 -1.005 10.677 -2.470 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.440 9.882 -3.896 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.471 7.993 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.259 6.338 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.487 7.582 -3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.532 7.657 -4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.886 6.847 -3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.036 8.180 -4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.334 8.482 -2.881 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.761 9.710 -1.628 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.588 10.026 -0.474 1.00 0.00 C ATOM 1025 C ALA A 85 -5.715 8.802 0.421 1.00 0.00 C ATOM 1026 O ALA A 85 -6.429 7.854 0.093 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.962 10.505 -0.920 1.00 0.00 C ATOM 0 H ALA A 85 -5.210 9.096 -2.308 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.114 10.828 0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.568 10.737 -0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.854 11.399 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.449 9.722 -1.501 1.00 0.00 H new ATOM 1033 N PHE A 86 -5.002 8.814 1.539 1.00 0.00 N ATOM 1034 CA PHE A 86 -5.023 7.688 2.460 1.00 0.00 C ATOM 1035 C PHE A 86 -6.243 7.728 3.373 1.00 0.00 C ATOM 1036 O PHE A 86 -6.321 8.539 4.296 1.00 0.00 O ATOM 1037 CB PHE A 86 -3.743 7.661 3.294 1.00 0.00 C ATOM 1038 CG PHE A 86 -3.102 6.305 3.348 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.382 5.819 2.268 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -3.224 5.514 4.479 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -1.796 4.569 2.316 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -2.640 4.263 4.532 1.00 0.00 C ATOM 1043 CZ PHE A 86 -1.925 3.790 3.450 1.00 0.00 C ATOM 0 H PHE A 86 -4.404 9.588 1.829 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.083 6.777 1.864 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.032 8.376 2.880 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.971 7.989 4.308 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.278 6.424 1.379 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.782 5.879 5.329 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.238 4.201 1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.743 3.656 5.419 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.467 2.813 3.490 1.00 0.00 H new ATOM 1053 N ASP A 87 -7.186 6.829 3.111 1.00 0.00 N ATOM 1054 CA ASP A 87 -8.403 6.732 3.905 1.00 0.00 C ATOM 1055 C ASP A 87 -8.532 5.331 4.490 1.00 0.00 C ATOM 1056 O ASP A 87 -9.625 4.768 4.553 1.00 0.00 O ATOM 1057 CB ASP A 87 -9.629 7.061 3.052 1.00 0.00 C ATOM 1058 CG ASP A 87 -10.730 7.728 3.854 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -11.173 7.136 4.860 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -11.148 8.842 3.475 1.00 0.00 O ATOM 0 H ASP A 87 -7.129 6.153 2.349 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.346 7.454 4.719 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.333 7.716 2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.013 6.144 2.605 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.397 4.776 4.911 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.345 3.435 5.492 1.00 0.00 C ATOM 1067 C ARG A 88 -8.530 3.181 6.422 1.00 0.00 C ATOM 1068 O ARG A 88 -9.022 2.058 6.525 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.039 3.260 6.265 1.00 0.00 C ATOM 1070 CG ARG A 88 -5.773 4.388 7.249 1.00 0.00 C ATOM 1071 CD ARG A 88 -4.323 4.408 7.704 1.00 0.00 C ATOM 1072 NE ARG A 88 -4.086 5.429 8.724 1.00 0.00 N ATOM 1073 CZ ARG A 88 -2.898 5.981 8.962 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -1.833 5.613 8.261 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -2.775 6.905 9.905 1.00 0.00 N ATOM 0 H ARG A 88 -6.491 5.241 4.860 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.395 2.713 4.677 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.067 2.314 6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.211 3.199 5.559 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.022 5.342 6.784 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.425 4.276 8.116 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.053 3.429 8.100 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.676 4.594 6.847 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.879 5.737 9.287 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.921 4.903 7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.926 6.040 8.449 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.590 7.192 10.447 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.865 7.329 10.088 1.00 0.00 H new ATOM 1089 N GLY A 89 -8.979 4.234 7.098 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.099 4.107 8.012 1.00 0.00 C ATOM 1091 C GLY A 89 -9.698 4.363 9.454 1.00 0.00 C ATOM 1092 O GLY A 89 -9.065 5.377 9.750 1.00 0.00 O ATOM 0 H GLY A 89 -8.587 5.173 7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.881 4.810 7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.523 3.106 7.927 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.051 3.457 10.384 1.00 0.00 N ATOM 1097 CA PRO A 90 -9.717 3.604 11.797 1.00 0.00 C ATOM 1098 C PRO A 90 -8.351 3.015 12.133 1.00 0.00 C ATOM 1099 O PRO A 90 -8.198 2.307 13.129 1.00 0.00 O ATOM 1100 CB PRO A 90 -10.824 2.807 12.475 1.00 0.00 C ATOM 1101 CG PRO A 90 -11.122 1.697 11.521 1.00 0.00 C ATOM 1102 CD PRO A 90 -10.808 2.215 10.136 1.00 0.00 C ATOM 0 HA PRO A 90 -9.655 4.646 12.109 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.501 2.423 13.443 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -11.705 3.424 12.654 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.520 0.818 11.751 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.167 1.395 11.593 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.220 1.496 9.565 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.717 2.408 9.566 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.361 3.306 11.294 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.010 2.799 11.501 1.00 0.00 C ATOM 1112 C TYR A 91 -5.134 3.837 12.192 1.00 0.00 C ATOM 1113 O TYR A 91 -5.363 5.040 12.073 1.00 0.00 O ATOM 1114 CB TYR A 91 -5.376 2.405 10.164 1.00 0.00 C ATOM 1115 CG TYR A 91 -5.858 1.081 9.609 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.099 0.560 9.961 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -5.069 0.352 8.725 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -7.537 -0.646 9.451 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.502 -0.854 8.211 1.00 0.00 C ATOM 1120 CZ TYR A 91 -6.736 -1.349 8.577 1.00 0.00 C ATOM 1121 OH TYR A 91 -7.171 -2.552 8.068 1.00 0.00 O ATOM 0 H TYR A 91 -7.470 3.890 10.465 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.081 1.920 12.141 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.582 3.188 9.434 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.294 2.361 10.288 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.730 1.108 10.645 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.102 0.736 8.436 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.503 -1.037 9.736 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.877 -1.407 7.525 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.616 -2.402 7.208 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.121 3.357 12.900 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.189 4.228 13.602 1.00 0.00 C ATOM 1133 C LYS A 92 -1.757 3.814 13.289 1.00 0.00 C ATOM 1134 O LYS A 92 -1.503 2.659 12.946 1.00 0.00 O ATOM 1135 CB LYS A 92 -3.435 4.173 15.111 1.00 0.00 C ATOM 1136 CG LYS A 92 -2.491 5.053 15.914 1.00 0.00 C ATOM 1137 CD LYS A 92 -2.707 6.526 15.606 1.00 0.00 C ATOM 1138 CE LYS A 92 -1.717 7.403 16.356 1.00 0.00 C ATOM 1139 NZ LYS A 92 -2.111 7.593 17.779 1.00 0.00 N ATOM 0 H LYS A 92 -3.923 2.362 13.004 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.346 5.252 13.264 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.462 4.476 15.314 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.334 3.142 15.450 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.644 4.876 16.979 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.459 4.781 15.691 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.604 6.694 14.534 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.724 6.810 15.876 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.726 6.952 16.311 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.648 8.374 15.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.411 8.196 18.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.046 8.047 17.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.152 6.669 18.254 1.00 0.00 H new ATOM 1153 N TYR A 93 -0.822 4.753 13.397 1.00 0.00 N ATOM 1154 CA TYR A 93 0.578 4.458 13.111 1.00 0.00 C ATOM 1155 C TYR A 93 1.012 3.192 13.849 1.00 0.00 C ATOM 1156 O TYR A 93 1.263 3.213 15.054 1.00 0.00 O ATOM 1157 CB TYR A 93 1.468 5.645 13.496 1.00 0.00 C ATOM 1158 CG TYR A 93 2.705 5.776 12.633 1.00 0.00 C ATOM 1159 CD1 TYR A 93 2.657 5.488 11.275 1.00 0.00 C ATOM 1160 CD2 TYR A 93 3.919 6.177 13.175 1.00 0.00 C ATOM 1161 CE1 TYR A 93 3.780 5.594 10.481 1.00 0.00 C ATOM 1162 CE2 TYR A 93 5.049 6.290 12.387 1.00 0.00 C ATOM 1163 CZ TYR A 93 4.975 5.996 11.041 1.00 0.00 C ATOM 1164 OH TYR A 93 6.101 6.107 10.254 1.00 0.00 O ATOM 0 H TYR A 93 -1.006 5.716 13.678 1.00 0.00 H new ATOM 0 HA TYR A 93 0.687 4.287 12.040 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.886 6.564 13.425 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.771 5.539 14.538 1.00 0.00 H new ATOM 0 HD1 TYR A 93 1.723 5.175 10.832 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.981 6.404 14.229 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.724 5.364 9.427 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.985 6.607 12.823 1.00 0.00 H new ATOM 0 HH TYR A 93 6.857 6.402 10.804 1.00 0.00 H new ATOM 1174 N HIS A 94 1.061 2.085 13.113 1.00 0.00 N ATOM 1175 CA HIS A 94 1.420 0.788 13.686 1.00 0.00 C ATOM 1176 C HIS A 94 2.780 0.283 13.165 1.00 0.00 C ATOM 1177 O HIS A 94 3.818 0.866 13.476 1.00 0.00 O ATOM 1178 CB HIS A 94 0.298 -0.213 13.385 1.00 0.00 C ATOM 1179 CG HIS A 94 0.242 -1.361 14.346 1.00 0.00 C ATOM 1180 ND1 HIS A 94 1.090 -2.446 14.275 1.00 0.00 N ATOM 1181 CD2 HIS A 94 -0.569 -1.589 15.406 1.00 0.00 C ATOM 1182 CE1 HIS A 94 0.802 -3.292 15.248 1.00 0.00 C ATOM 1183 NE2 HIS A 94 -0.200 -2.795 15.949 1.00 0.00 N ATOM 0 H HIS A 94 0.856 2.059 12.114 1.00 0.00 H new ATOM 0 HA HIS A 94 1.530 0.897 14.765 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.658 0.310 13.402 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.431 -0.602 12.375 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.359 -0.943 15.759 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.301 -4.231 15.438 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -0.630 -3.235 16.762 1.00 0.00 H new ATOM 1192 N GLY A 95 2.773 -0.801 12.377 1.00 0.00 N ATOM 1193 CA GLY A 95 4.013 -1.346 11.846 1.00 0.00 C ATOM 1194 C GLY A 95 3.943 -1.613 10.350 1.00 0.00 C ATOM 1195 O GLY A 95 4.921 -1.408 9.631 1.00 0.00 O ATOM 0 H GLY A 95 1.931 -1.306 12.101 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.827 -0.651 12.049 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.249 -2.274 12.366 1.00 0.00 H new ATOM 1199 N ARG A 96 2.782 -2.068 9.880 1.00 0.00 N ATOM 1200 CA ARG A 96 2.586 -2.359 8.461 1.00 0.00 C ATOM 1201 C ARG A 96 2.611 -1.075 7.635 1.00 0.00 C ATOM 1202 O ARG A 96 3.560 -0.822 6.892 1.00 0.00 O ATOM 1203 CB ARG A 96 1.252 -3.078 8.258 1.00 0.00 C ATOM 1204 CG ARG A 96 1.301 -4.570 8.540 1.00 0.00 C ATOM 1205 CD ARG A 96 1.630 -4.852 9.997 1.00 0.00 C ATOM 1206 NE ARG A 96 1.760 -6.282 10.264 1.00 0.00 N ATOM 1207 CZ ARG A 96 2.191 -6.785 11.418 1.00 0.00 C ATOM 1208 NH1 ARG A 96 2.541 -5.978 12.412 1.00 0.00 N ATOM 1209 NH2 ARG A 96 2.272 -8.099 11.580 1.00 0.00 N ATOM 0 H ARG A 96 1.963 -2.243 10.462 1.00 0.00 H new ATOM 0 HA ARG A 96 3.400 -3.002 8.126 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.503 -2.621 8.906 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.921 -2.924 7.231 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.341 -5.020 8.289 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.049 -5.038 7.900 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.559 -4.348 10.262 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.849 -4.435 10.632 1.00 0.00 H new ATOM 0 HE ARG A 96 1.505 -6.934 9.522 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.480 -4.967 12.293 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.871 -6.369 13.294 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.004 -8.724 10.820 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.602 -8.484 12.465 1.00 0.00 H new ATOM 1223 N VAL A 97 1.555 -0.268 7.777 1.00 0.00 N ATOM 1224 CA VAL A 97 1.425 1.001 7.064 1.00 0.00 C ATOM 1225 C VAL A 97 2.765 1.711 6.915 1.00 0.00 C ATOM 1226 O VAL A 97 2.995 2.397 5.936 1.00 0.00 O ATOM 1227 CB VAL A 97 0.440 1.944 7.792 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.416 3.326 7.157 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.952 1.345 7.815 1.00 0.00 C ATOM 0 H VAL A 97 0.768 -0.479 8.390 1.00 0.00 H new ATOM 0 HA VAL A 97 1.043 0.762 6.071 1.00 0.00 H new ATOM 0 HB VAL A 97 0.789 2.058 8.818 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.287 3.961 7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.412 3.766 7.205 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.106 3.242 6.115 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.631 2.023 8.332 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.299 1.192 6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.928 0.388 8.337 1.00 0.00 H new ATOM 1239 N LYS A 98 3.638 1.547 7.893 1.00 0.00 N ATOM 1240 CA LYS A 98 4.942 2.175 7.860 1.00 0.00 C ATOM 1241 C LYS A 98 5.767 1.650 6.697 1.00 0.00 C ATOM 1242 O LYS A 98 5.843 2.275 5.640 1.00 0.00 O ATOM 1243 CB LYS A 98 5.672 1.928 9.172 1.00 0.00 C ATOM 1244 CG LYS A 98 5.488 3.051 10.162 1.00 0.00 C ATOM 1245 CD LYS A 98 4.550 2.649 11.293 1.00 0.00 C ATOM 1246 CE LYS A 98 3.087 2.673 10.854 1.00 0.00 C ATOM 1247 NZ LYS A 98 2.564 1.313 10.555 1.00 0.00 N ATOM 0 H LYS A 98 3.464 0.981 8.723 1.00 0.00 H new ATOM 0 HA LYS A 98 4.803 3.247 7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.313 0.998 9.613 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.735 1.796 8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.456 3.336 10.574 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.089 3.927 9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.808 1.649 11.641 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.687 3.326 12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.482 3.128 11.638 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.986 3.301 9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.126 1.309 9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.346 0.628 10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.853 1.050 11.267 1.00 0.00 H new ATOM 1261 N ALA A 99 6.386 0.489 6.912 1.00 0.00 N ATOM 1262 CA ALA A 99 7.219 -0.147 5.904 1.00 0.00 C ATOM 1263 C ALA A 99 6.569 -0.086 4.530 1.00 0.00 C ATOM 1264 O ALA A 99 7.237 0.166 3.534 1.00 0.00 O ATOM 1265 CB ALA A 99 7.499 -1.592 6.292 1.00 0.00 C ATOM 0 H ALA A 99 6.322 -0.031 7.787 1.00 0.00 H new ATOM 0 HA ALA A 99 8.162 0.398 5.852 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.124 -2.059 5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.016 -1.618 7.251 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.558 -2.136 6.373 1.00 0.00 H new ATOM 1271 N LEU A 100 5.260 -0.304 4.486 1.00 0.00 N ATOM 1272 CA LEU A 100 4.525 -0.269 3.241 1.00 0.00 C ATOM 1273 C LEU A 100 4.443 1.147 2.705 1.00 0.00 C ATOM 1274 O LEU A 100 4.704 1.400 1.529 1.00 0.00 O ATOM 1275 CB LEU A 100 3.116 -0.820 3.456 1.00 0.00 C ATOM 1276 CG LEU A 100 2.096 -0.374 2.415 1.00 0.00 C ATOM 1277 CD1 LEU A 100 1.112 -1.489 2.114 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.366 0.877 2.882 1.00 0.00 C ATOM 0 H LEU A 100 4.689 -0.507 5.306 1.00 0.00 H new ATOM 0 HA LEU A 100 5.051 -0.886 2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.162 -1.909 3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.767 -0.514 4.442 1.00 0.00 H new ATOM 0 HG LEU A 100 2.630 -0.135 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.393 -1.149 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.650 -2.355 1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.585 -1.765 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.642 1.180 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.847 0.668 3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.085 1.681 3.038 1.00 0.00 H new ATOM 1290 N ALA A 101 4.060 2.065 3.577 1.00 0.00 N ATOM 1291 CA ALA A 101 3.920 3.459 3.193 1.00 0.00 C ATOM 1292 C ALA A 101 5.211 3.976 2.588 1.00 0.00 C ATOM 1293 O ALA A 101 5.181 4.814 1.690 1.00 0.00 O ATOM 1294 CB ALA A 101 3.473 4.303 4.369 1.00 0.00 C ATOM 0 H ALA A 101 3.841 1.870 4.554 1.00 0.00 H new ATOM 0 HA ALA A 101 3.145 3.532 2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.376 5.342 4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.510 3.942 4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.211 4.233 5.168 1.00 0.00 H new ATOM 1300 N GLU A 102 6.347 3.437 3.032 1.00 0.00 N ATOM 1301 CA GLU A 102 7.611 3.839 2.442 1.00 0.00 C ATOM 1302 C GLU A 102 7.661 3.239 1.054 1.00 0.00 C ATOM 1303 O GLU A 102 7.928 3.930 0.091 1.00 0.00 O ATOM 1304 CB GLU A 102 8.847 3.413 3.251 1.00 0.00 C ATOM 1305 CG GLU A 102 8.560 2.973 4.688 1.00 0.00 C ATOM 1306 CD GLU A 102 9.771 2.358 5.359 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.701 1.941 4.639 1.00 0.00 O ATOM 1308 OE2 GLU A 102 9.790 2.293 6.607 1.00 0.00 O ATOM 0 H GLU A 102 6.413 2.742 3.776 1.00 0.00 H new ATOM 0 HA GLU A 102 7.650 4.928 2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.340 2.594 2.728 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.551 4.245 3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.225 3.833 5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.743 2.251 4.687 1.00 0.00 H new ATOM 1315 N GLY A 103 7.328 1.955 0.947 1.00 0.00 N ATOM 1316 CA GLY A 103 7.282 1.313 -0.355 1.00 0.00 C ATOM 1317 C GLY A 103 6.531 2.167 -1.342 1.00 0.00 C ATOM 1318 O GLY A 103 7.034 2.540 -2.402 1.00 0.00 O ATOM 0 H GLY A 103 7.091 1.351 1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.296 1.137 -0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.801 0.339 -0.269 1.00 0.00 H new ATOM 1322 N ALA A 104 5.294 2.452 -0.961 1.00 0.00 N ATOM 1323 CA ALA A 104 4.389 3.245 -1.762 1.00 0.00 C ATOM 1324 C ALA A 104 4.912 4.665 -1.961 1.00 0.00 C ATOM 1325 O ALA A 104 4.773 5.243 -3.037 1.00 0.00 O ATOM 1326 CB ALA A 104 3.020 3.261 -1.113 1.00 0.00 C ATOM 0 H ALA A 104 4.892 2.134 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 104 4.313 2.790 -2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.338 3.859 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.641 2.242 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.095 3.694 -0.115 1.00 0.00 H new ATOM 1332 N ARG A 105 5.528 5.225 -0.921 1.00 0.00 N ATOM 1333 CA ARG A 105 6.081 6.578 -0.992 1.00 0.00 C ATOM 1334 C ARG A 105 7.489 6.549 -1.576 1.00 0.00 C ATOM 1335 O ARG A 105 7.904 7.470 -2.280 1.00 0.00 O ATOM 1336 CB ARG A 105 6.086 7.228 0.400 1.00 0.00 C ATOM 1337 CG ARG A 105 6.923 8.498 0.499 1.00 0.00 C ATOM 1338 CD ARG A 105 6.260 9.668 -0.213 1.00 0.00 C ATOM 1339 NE ARG A 105 7.145 10.280 -1.201 1.00 0.00 N ATOM 1340 CZ ARG A 105 8.110 11.145 -0.899 1.00 0.00 C ATOM 1341 NH1 ARG A 105 8.321 11.502 0.362 1.00 0.00 N ATOM 1342 NH2 ARG A 105 8.868 11.655 -1.860 1.00 0.00 N ATOM 0 H ARG A 105 5.657 4.764 -0.020 1.00 0.00 H new ATOM 0 HA ARG A 105 5.450 7.176 -1.649 1.00 0.00 H new ATOM 0 HB2 ARG A 105 5.059 7.461 0.682 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.459 6.504 1.124 1.00 0.00 H new ATOM 0 HG2 ARG A 105 7.077 8.751 1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.907 8.319 0.066 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.350 9.324 -0.705 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.962 10.417 0.521 1.00 0.00 H new ATOM 0 HE ARG A 105 7.015 10.029 -2.181 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.742 11.113 1.106 1.00 0.00 H new ATOM 0 HH12 ARG A 105 9.062 12.165 0.587 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.711 11.384 -2.831 1.00 0.00 H new ATOM 0 HH22 ARG A 105 9.608 12.318 -1.628 1.00 0.00 H new ATOM 1356 N GLU A 106 8.208 5.477 -1.288 1.00 0.00 N ATOM 1357 CA GLU A 106 9.560 5.296 -1.785 1.00 0.00 C ATOM 1358 C GLU A 106 9.487 5.047 -3.285 1.00 0.00 C ATOM 1359 O GLU A 106 10.323 5.522 -4.054 1.00 0.00 O ATOM 1360 CB GLU A 106 10.242 4.115 -1.062 1.00 0.00 C ATOM 1361 CG GLU A 106 10.085 2.772 -1.756 1.00 0.00 C ATOM 1362 CD GLU A 106 11.001 1.709 -1.181 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.840 2.050 -0.320 1.00 0.00 O ATOM 1364 OE2 GLU A 106 10.883 0.537 -1.594 1.00 0.00 O ATOM 0 H GLU A 106 7.872 4.711 -0.705 1.00 0.00 H new ATOM 0 HA GLU A 106 10.156 6.188 -1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.305 4.334 -0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.834 4.038 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.050 2.441 -1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.294 2.890 -2.819 1.00 0.00 H new ATOM 1371 N GLY A 107 8.454 4.305 -3.687 1.00 0.00 N ATOM 1372 CA GLY A 107 8.252 4.007 -5.088 1.00 0.00 C ATOM 1373 C GLY A 107 7.873 5.256 -5.872 1.00 0.00 C ATOM 1374 O GLY A 107 8.492 5.553 -6.893 1.00 0.00 O ATOM 0 H GLY A 107 7.754 3.906 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.162 3.576 -5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.467 3.258 -5.193 1.00 0.00 H new ATOM 1378 N GLY A 108 6.875 6.011 -5.387 1.00 0.00 N ATOM 1379 CA GLY A 108 6.483 7.234 -6.081 1.00 0.00 C ATOM 1380 C GLY A 108 5.258 7.941 -5.501 1.00 0.00 C ATOM 1381 O GLY A 108 5.099 9.147 -5.686 1.00 0.00 O ATOM 0 H GLY A 108 6.343 5.801 -4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.324 7.927 -6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.285 6.994 -7.125 1.00 0.00 H new ATOM 1385 N LEU A 109 4.376 7.199 -4.840 1.00 0.00 N ATOM 1386 CA LEU A 109 3.150 7.766 -4.286 1.00 0.00 C ATOM 1387 C LEU A 109 3.388 8.663 -3.078 1.00 0.00 C ATOM 1388 O LEU A 109 4.259 8.410 -2.256 1.00 0.00 O ATOM 1389 CB LEU A 109 2.208 6.639 -3.891 1.00 0.00 C ATOM 1390 CG LEU A 109 1.573 5.918 -5.066 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.636 5.413 -6.023 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.687 4.783 -4.581 1.00 0.00 C ATOM 0 H LEU A 109 4.488 6.199 -4.674 1.00 0.00 H new ATOM 0 HA LEU A 109 2.714 8.391 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.758 5.915 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.418 7.045 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 109 0.946 6.626 -5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.159 4.899 -6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.217 6.255 -6.399 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.297 4.721 -5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.241 4.278 -5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.286 4.072 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.102 5.184 -3.945 1.00 0.00 H new ATOM 1404 N GLU A 110 2.576 9.708 -2.984 1.00 0.00 N ATOM 1405 CA GLU A 110 2.649 10.657 -1.881 1.00 0.00 C ATOM 1406 C GLU A 110 1.274 10.838 -1.240 1.00 0.00 C ATOM 1407 O GLU A 110 0.446 11.606 -1.728 1.00 0.00 O ATOM 1408 CB GLU A 110 3.187 11.999 -2.370 1.00 0.00 C ATOM 1409 CG GLU A 110 4.700 12.112 -2.280 1.00 0.00 C ATOM 1410 CD GLU A 110 5.366 12.131 -3.642 1.00 0.00 C ATOM 1411 OE1 GLU A 110 5.687 11.041 -4.162 1.00 0.00 O ATOM 1412 OE2 GLU A 110 5.567 13.236 -4.189 1.00 0.00 O ATOM 0 H GLU A 110 1.850 9.921 -3.668 1.00 0.00 H new ATOM 0 HA GLU A 110 3.332 10.261 -1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.880 12.150 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.735 12.799 -1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.961 13.022 -1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.089 11.274 -1.701 1.00 0.00 H new ATOM 1419 N PHE A 111 1.033 10.113 -0.157 1.00 0.00 N ATOM 1420 CA PHE A 111 -0.249 10.176 0.541 1.00 0.00 C ATOM 1421 C PHE A 111 -0.063 10.605 1.993 1.00 0.00 C ATOM 1422 O PHE A 111 1.061 11.022 2.346 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.931 8.807 0.480 1.00 0.00 C ATOM 1424 CG PHE A 111 0.046 7.675 0.540 1.00 0.00 C ATOM 1425 CD1 PHE A 111 0.795 7.342 -0.573 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.233 6.960 1.709 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.710 6.315 -0.525 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.149 5.931 1.767 1.00 0.00 C ATOM 1429 CZ PHE A 111 1.889 5.609 0.647 1.00 0.00 C ATOM 1430 OXT PHE A 111 -1.041 10.522 2.764 1.00 0.00 O ATOM 0 H PHE A 111 1.708 9.472 0.260 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.876 10.919 0.049 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.635 8.719 1.307 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.510 8.734 -0.441 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.661 7.894 -1.491 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.345 7.210 2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.287 6.062 -1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.287 5.379 2.685 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.608 4.804 0.688 1.00 0.00 H new