USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 577 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 43 HIS : no HD1:sc= -2.38 K(o=-3.6,f=-2.7!) USER MOD Set 1.2: A 46 THR OG1 : rot -100:sc= -1.2 USER MOD Single : A 4 THR OG1 : rot -6:sc= 0.809 USER MOD Single : A 11 SER OG : rot -50:sc= 0.134 USER MOD Single : A 12 GLN : amide:sc= -4! C(o=-4!,f=-4.7!) USER MOD Single : A 15 LYS NZ :NH3+ -102:sc= -0.12 (180deg=-1.09) USER MOD Single : A 16 LYS NZ :NH3+ 153:sc= 0.761 (180deg=-0.376!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.091 USER MOD Single : A 37 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.096) USER MOD Single : A 39 THR OG1 : rot -160:sc= -0.785 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -7:sc= -0.337! USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 113:sc= 0.161 USER MOD Single : A 58 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.56) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -100:sc= -1.09 USER MOD Single : A 63 GLN : amide:sc= -0.463 K(o=-0.46,f=-1.7!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0544 K(o=-0.054,f=-0.97) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc=-0.00305 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 4 1.268 3.836 -9.951 1.00 34.51 N ATOM 49 CA THR A 4 1.661 3.944 -11.350 1.00 31.10 C ATOM 50 C THR A 4 0.674 3.216 -12.256 1.00 45.33 C ATOM 51 O THR A 4 0.500 2.002 -12.151 1.00 20.11 O ATOM 52 CB THR A 4 3.072 3.372 -11.583 1.00 2.33 C ATOM 53 OG1 THR A 4 3.491 2.620 -10.438 1.00 40.34 O ATOM 54 CG2 THR A 4 4.070 4.488 -11.856 1.00 33.04 C ATOM 0 HA THR A 4 1.662 5.006 -11.597 1.00 31.10 H new ATOM 0 HB THR A 4 3.036 2.717 -12.454 1.00 2.33 H new ATOM 0 HG1 THR A 4 2.831 2.721 -9.721 1.00 40.34 H new ATOM 0 HG21 THR A 4 5.059 4.060 -12.017 1.00 33.04 H new ATOM 0 HG22 THR A 4 3.764 5.040 -12.745 1.00 33.04 H new ATOM 0 HG23 THR A 4 4.102 5.164 -11.002 1.00 33.04 H new ATOM 62 N ILE A 5 0.033 3.965 -13.146 1.00 54.53 N ATOM 63 CA ILE A 5 -0.935 3.390 -14.072 1.00 51.23 C ATOM 64 C ILE A 5 -0.237 2.641 -15.202 1.00 43.11 C ATOM 65 O ILE A 5 0.951 2.846 -15.457 1.00 31.13 O ATOM 66 CB ILE A 5 -1.848 4.473 -14.677 1.00 12.10 C ATOM 67 CG1 ILE A 5 -1.025 5.458 -15.510 1.00 13.11 C ATOM 68 CG2 ILE A 5 -2.604 5.203 -13.577 1.00 1.41 C ATOM 69 CD1 ILE A 5 -1.090 5.193 -16.998 1.00 30.43 C ATOM 0 H ILE A 5 0.166 4.971 -13.246 1.00 54.53 H new ATOM 0 HA ILE A 5 -1.544 2.692 -13.498 1.00 51.23 H new ATOM 0 HB ILE A 5 -2.574 3.991 -15.332 1.00 12.10 H new ATOM 0 HG12 ILE A 5 -1.378 6.471 -15.314 1.00 13.11 H new ATOM 0 HG13 ILE A 5 0.015 5.414 -15.187 1.00 13.11 H new ATOM 0 HG21 ILE A 5 -3.245 5.965 -14.020 1.00 1.41 H new ATOM 0 HG22 ILE A 5 -3.216 4.492 -13.022 1.00 1.41 H new ATOM 0 HG23 ILE A 5 -1.893 5.676 -12.899 1.00 1.41 H new ATOM 0 HD11 ILE A 5 -0.484 5.929 -17.526 1.00 30.43 H new ATOM 0 HD12 ILE A 5 -0.710 4.193 -17.206 1.00 30.43 H new ATOM 0 HD13 ILE A 5 -2.124 5.266 -17.336 1.00 30.43 H new ATOM 81 N LEU A 6 -0.982 1.773 -15.878 1.00 44.51 N ATOM 82 CA LEU A 6 -0.435 0.994 -16.983 1.00 40.05 C ATOM 83 C LEU A 6 -1.227 1.236 -18.264 1.00 72.33 C ATOM 84 O LEU A 6 -0.668 1.244 -19.360 1.00 60.41 O ATOM 85 CB LEU A 6 -0.446 -0.496 -16.637 1.00 44.11 C ATOM 86 CG LEU A 6 0.912 -1.199 -16.655 1.00 41.02 C ATOM 87 CD1 LEU A 6 1.502 -1.185 -18.057 1.00 73.20 C ATOM 88 CD2 LEU A 6 1.866 -0.543 -15.667 1.00 54.02 C ATOM 0 H LEU A 6 -1.966 1.591 -15.680 1.00 44.51 H new ATOM 0 HA LEU A 6 0.594 1.315 -17.147 1.00 40.05 H new ATOM 0 HB2 LEU A 6 -0.881 -0.615 -15.645 1.00 44.11 H new ATOM 0 HB3 LEU A 6 -1.106 -1.007 -17.338 1.00 44.11 H new ATOM 0 HG LEU A 6 0.766 -2.236 -16.354 1.00 41.02 H new ATOM 0 HD11 LEU A 6 2.468 -1.690 -18.050 1.00 73.20 H new ATOM 0 HD12 LEU A 6 0.828 -1.701 -18.741 1.00 73.20 H new ATOM 0 HD13 LEU A 6 1.633 -0.154 -18.386 1.00 73.20 H new ATOM 0 HD21 LEU A 6 2.827 -1.056 -15.694 1.00 54.02 H new ATOM 0 HD22 LEU A 6 2.006 0.504 -15.937 1.00 54.02 H new ATOM 0 HD23 LEU A 6 1.449 -0.606 -14.662 1.00 54.02 H new ATOM 100 N GLY A 7 -2.534 1.435 -18.118 1.00 23.34 N ATOM 101 CA GLY A 7 -3.381 1.676 -19.270 1.00 54.35 C ATOM 102 C GLY A 7 -4.027 3.047 -19.238 1.00 52.32 C ATOM 103 O GLY A 7 -4.425 3.528 -18.177 1.00 12.22 O ATOM 0 H GLY A 7 -3.021 1.433 -17.222 1.00 23.34 H new ATOM 0 HA2 GLY A 7 -2.788 1.578 -20.180 1.00 54.35 H new ATOM 0 HA3 GLY A 7 -4.158 0.913 -19.312 1.00 54.35 H new ATOM 107 N ILE A 8 -4.130 3.679 -20.403 1.00 20.42 N ATOM 108 CA ILE A 8 -4.731 5.003 -20.503 1.00 33.40 C ATOM 109 C ILE A 8 -5.814 5.035 -21.576 1.00 71.22 C ATOM 110 O ILE A 8 -5.650 4.463 -22.654 1.00 14.54 O ATOM 111 CB ILE A 8 -3.676 6.078 -20.822 1.00 63.42 C ATOM 112 CG1 ILE A 8 -4.338 7.450 -20.956 1.00 54.22 C ATOM 113 CG2 ILE A 8 -2.924 5.720 -22.095 1.00 63.14 C ATOM 114 CD1 ILE A 8 -3.363 8.565 -21.264 1.00 70.43 C ATOM 0 H ILE A 8 -3.805 3.295 -21.290 1.00 20.42 H new ATOM 0 HA ILE A 8 -5.177 5.221 -19.533 1.00 33.40 H new ATOM 0 HB ILE A 8 -2.961 6.120 -20.000 1.00 63.42 H new ATOM 0 HG12 ILE A 8 -5.089 7.407 -21.745 1.00 54.22 H new ATOM 0 HG13 ILE A 8 -4.863 7.683 -20.030 1.00 54.22 H new ATOM 0 HG21 ILE A 8 -2.182 6.489 -22.308 1.00 63.14 H new ATOM 0 HG22 ILE A 8 -2.425 4.760 -21.965 1.00 63.14 H new ATOM 0 HG23 ILE A 8 -3.626 5.654 -22.926 1.00 63.14 H new ATOM 0 HD11 ILE A 8 -3.903 9.508 -21.345 1.00 70.43 H new ATOM 0 HD12 ILE A 8 -2.627 8.636 -20.463 1.00 70.43 H new ATOM 0 HD13 ILE A 8 -2.856 8.355 -22.206 1.00 70.43 H new ATOM 126 N GLU A 9 -6.920 5.709 -21.274 1.00 25.41 N ATOM 127 CA GLU A 9 -8.029 5.816 -22.214 1.00 40.10 C ATOM 128 C GLU A 9 -8.431 7.274 -22.417 1.00 44.23 C ATOM 129 O GLU A 9 -8.710 7.993 -21.457 1.00 62.43 O ATOM 130 CB GLU A 9 -9.230 5.010 -21.715 1.00 23.24 C ATOM 131 CG GLU A 9 -9.572 3.819 -22.594 1.00 42.14 C ATOM 132 CD GLU A 9 -10.989 3.325 -22.382 1.00 34.23 C ATOM 133 OE1 GLU A 9 -11.919 4.158 -22.419 1.00 73.21 O ATOM 134 OE2 GLU A 9 -11.169 2.106 -22.178 1.00 12.12 O ATOM 0 H GLU A 9 -7.071 6.188 -20.386 1.00 25.41 H new ATOM 0 HA GLU A 9 -7.701 5.410 -23.171 1.00 40.10 H new ATOM 0 HB2 GLU A 9 -9.026 4.658 -20.704 1.00 23.24 H new ATOM 0 HB3 GLU A 9 -10.098 5.667 -21.654 1.00 23.24 H new ATOM 0 HG2 GLU A 9 -9.440 4.095 -23.640 1.00 42.14 H new ATOM 0 HG3 GLU A 9 -8.874 3.008 -22.388 1.00 42.14 H new ATOM 141 N VAL A 10 -8.457 7.705 -23.675 1.00 21.14 N ATOM 142 CA VAL A 10 -8.824 9.076 -24.005 1.00 54.53 C ATOM 143 C VAL A 10 -10.331 9.284 -23.893 1.00 44.03 C ATOM 144 O VAL A 10 -11.111 8.623 -24.578 1.00 53.43 O ATOM 145 CB VAL A 10 -8.370 9.452 -25.428 1.00 71.34 C ATOM 146 CG1 VAL A 10 -8.902 8.449 -26.441 1.00 15.21 C ATOM 147 CG2 VAL A 10 -8.820 10.863 -25.776 1.00 25.10 C ATOM 0 H VAL A 10 -8.228 7.124 -24.481 1.00 21.14 H new ATOM 0 HA VAL A 10 -8.316 9.721 -23.287 1.00 54.53 H new ATOM 0 HB VAL A 10 -7.281 9.424 -25.462 1.00 71.34 H new ATOM 0 HG11 VAL A 10 -8.571 8.731 -27.441 1.00 15.21 H new ATOM 0 HG12 VAL A 10 -8.525 7.455 -26.201 1.00 15.21 H new ATOM 0 HG13 VAL A 10 -9.991 8.442 -26.408 1.00 15.21 H new ATOM 0 HG21 VAL A 10 -8.490 11.112 -26.785 1.00 25.10 H new ATOM 0 HG22 VAL A 10 -9.907 10.921 -25.725 1.00 25.10 H new ATOM 0 HG23 VAL A 10 -8.385 11.569 -25.068 1.00 25.10 H new ATOM 157 N SER A 11 -10.732 10.207 -23.025 1.00 33.31 N ATOM 158 CA SER A 11 -12.146 10.500 -22.820 1.00 70.32 C ATOM 159 C SER A 11 -12.393 12.005 -22.810 1.00 2.33 C ATOM 160 O SER A 11 -13.406 12.475 -22.293 1.00 74.51 O ATOM 161 CB SER A 11 -12.632 9.883 -21.507 1.00 65.31 C ATOM 162 OG SER A 11 -14.043 9.762 -21.492 1.00 14.14 O ATOM 0 H SER A 11 -10.098 10.765 -22.453 1.00 33.31 H new ATOM 0 HA SER A 11 -12.705 10.063 -23.647 1.00 70.32 H new ATOM 0 HB2 SER A 11 -12.178 8.901 -21.373 1.00 65.31 H new ATOM 0 HB3 SER A 11 -12.308 10.501 -20.669 1.00 65.31 H new ATOM 0 HG SER A 11 -14.447 10.616 -21.752 1.00 14.14 H new ATOM 168 N GLN A 12 -11.458 12.756 -23.384 1.00 31.31 N ATOM 169 CA GLN A 12 -11.573 14.208 -23.440 1.00 54.21 C ATOM 170 C GLN A 12 -12.303 14.648 -24.705 1.00 62.23 C ATOM 171 O GLN A 12 -11.986 14.194 -25.804 1.00 52.13 O ATOM 172 CB GLN A 12 -10.187 14.853 -23.386 1.00 55.30 C ATOM 173 CG GLN A 12 -9.242 14.355 -24.467 1.00 23.23 C ATOM 174 CD GLN A 12 -7.902 13.913 -23.911 1.00 71.04 C ATOM 175 OE1 GLN A 12 -6.894 14.603 -24.068 1.00 70.54 O ATOM 176 NE2 GLN A 12 -7.884 12.758 -23.257 1.00 71.52 N ATOM 0 H GLN A 12 -10.613 12.383 -23.816 1.00 31.31 H new ATOM 0 HA GLN A 12 -12.152 14.535 -22.576 1.00 54.21 H new ATOM 0 HB2 GLN A 12 -10.294 15.934 -23.479 1.00 55.30 H new ATOM 0 HB3 GLN A 12 -9.743 14.659 -22.410 1.00 55.30 H new ATOM 0 HG2 GLN A 12 -9.706 13.521 -24.994 1.00 23.23 H new ATOM 0 HG3 GLN A 12 -9.084 15.147 -25.199 1.00 23.23 H new ATOM 0 HE21 GLN A 12 -8.743 12.219 -23.151 1.00 71.52 H new ATOM 0 HE22 GLN A 12 -7.011 12.410 -22.861 1.00 71.52 H new ATOM 185 N GLU A 13 -13.281 15.533 -24.541 1.00 42.33 N ATOM 186 CA GLU A 13 -14.056 16.033 -25.671 1.00 64.42 C ATOM 187 C GLU A 13 -13.665 17.469 -26.006 1.00 50.24 C ATOM 188 O GLU A 13 -13.201 18.228 -25.155 1.00 35.02 O ATOM 189 CB GLU A 13 -15.553 15.958 -25.364 1.00 62.02 C ATOM 190 CG GLU A 13 -16.058 14.543 -25.141 1.00 34.35 C ATOM 191 CD GLU A 13 -17.524 14.384 -25.497 1.00 22.45 C ATOM 192 OE1 GLU A 13 -18.176 15.407 -25.791 1.00 75.12 O ATOM 193 OE2 GLU A 13 -18.018 13.237 -25.480 1.00 41.03 O ATOM 0 H GLU A 13 -13.556 15.918 -23.637 1.00 42.33 H new ATOM 0 HA GLU A 13 -13.838 15.405 -26.535 1.00 64.42 H new ATOM 0 HB2 GLU A 13 -15.764 16.554 -24.476 1.00 62.02 H new ATOM 0 HB3 GLU A 13 -16.107 16.407 -26.188 1.00 62.02 H new ATOM 0 HG2 GLU A 13 -15.465 13.851 -25.740 1.00 34.35 H new ATOM 0 HG3 GLU A 13 -15.910 14.269 -24.097 1.00 34.35 H new ATOM 200 N PRO A 14 -13.856 17.852 -27.278 1.00 4.45 N ATOM 201 CA PRO A 14 -13.530 19.199 -27.755 1.00 51.55 C ATOM 202 C PRO A 14 -14.472 20.258 -27.192 1.00 72.11 C ATOM 203 O PRO A 14 -15.693 20.102 -27.231 1.00 61.22 O ATOM 204 CB PRO A 14 -13.698 19.088 -29.273 1.00 23.41 C ATOM 205 CG PRO A 14 -14.663 17.970 -29.466 1.00 35.21 C ATOM 206 CD PRO A 14 -14.404 17.000 -28.346 1.00 12.40 C ATOM 0 HA PRO A 14 -12.533 19.511 -27.444 1.00 51.55 H new ATOM 0 HB2 PRO A 14 -14.078 20.017 -29.698 1.00 23.41 H new ATOM 0 HB3 PRO A 14 -12.747 18.879 -29.762 1.00 23.41 H new ATOM 0 HG2 PRO A 14 -15.691 18.333 -29.438 1.00 35.21 H new ATOM 0 HG3 PRO A 14 -14.519 17.494 -30.436 1.00 35.21 H new ATOM 0 HD2 PRO A 14 -15.318 16.497 -28.030 1.00 12.40 H new ATOM 0 HD3 PRO A 14 -13.699 16.223 -28.642 1.00 12.40 H new ATOM 214 N LYS A 15 -13.898 21.336 -26.668 1.00 73.34 N ATOM 215 CA LYS A 15 -14.686 22.422 -26.098 1.00 72.01 C ATOM 216 C LYS A 15 -13.813 23.643 -25.827 1.00 53.22 C ATOM 217 O LYS A 15 -13.761 24.573 -26.632 1.00 52.14 O ATOM 218 CB LYS A 15 -15.359 21.965 -24.802 1.00 12.32 C ATOM 219 CG LYS A 15 -16.806 21.541 -24.984 1.00 51.05 C ATOM 220 CD LYS A 15 -17.755 22.453 -24.225 1.00 41.32 C ATOM 221 CE LYS A 15 -19.083 21.768 -23.946 1.00 35.51 C ATOM 222 NZ LYS A 15 -19.545 22.000 -22.549 1.00 63.21 N ATOM 0 H LYS A 15 -12.889 21.481 -26.626 1.00 73.34 H new ATOM 0 HA LYS A 15 -15.454 22.699 -26.821 1.00 72.01 H new ATOM 0 HB2 LYS A 15 -14.795 21.131 -24.384 1.00 12.32 H new ATOM 0 HB3 LYS A 15 -15.316 22.776 -24.075 1.00 12.32 H new ATOM 0 HG2 LYS A 15 -17.059 21.553 -26.044 1.00 51.05 H new ATOM 0 HG3 LYS A 15 -16.932 20.515 -24.638 1.00 51.05 H new ATOM 0 HD2 LYS A 15 -17.296 22.755 -23.284 1.00 41.32 H new ATOM 0 HD3 LYS A 15 -17.927 23.362 -24.802 1.00 41.32 H new ATOM 0 HE2 LYS A 15 -19.835 22.137 -24.643 1.00 35.51 H new ATOM 0 HE3 LYS A 15 -18.983 20.697 -24.122 1.00 35.51 H new ATOM 0 HZ1 LYS A 15 -19.353 21.154 -21.975 1.00 63.21 H new ATOM 0 HZ2 LYS A 15 -19.038 22.814 -22.147 1.00 63.21 H new ATOM 0 HZ3 LYS A 15 -20.567 22.194 -22.549 1.00 63.21 H new ATOM 236 N LYS A 16 -13.128 23.634 -24.689 1.00 64.12 N ATOM 237 CA LYS A 16 -12.254 24.739 -24.313 1.00 11.14 C ATOM 238 C LYS A 16 -12.927 26.081 -24.584 1.00 22.03 C ATOM 239 O LYS A 16 -12.472 26.855 -25.426 1.00 2.10 O ATOM 240 CB LYS A 16 -10.932 24.655 -25.079 1.00 11.21 C ATOM 241 CG LYS A 16 -9.748 25.216 -24.311 1.00 44.33 C ATOM 242 CD LYS A 16 -8.864 24.109 -23.762 1.00 61.11 C ATOM 243 CE LYS A 16 -8.189 23.328 -24.880 1.00 1.54 C ATOM 244 NZ LYS A 16 -7.072 22.485 -24.371 1.00 32.21 N ATOM 0 H LYS A 16 -13.161 22.873 -24.010 1.00 64.12 H new ATOM 0 HA LYS A 16 -12.052 24.663 -23.245 1.00 11.14 H new ATOM 0 HB2 LYS A 16 -10.732 23.613 -25.329 1.00 11.21 H new ATOM 0 HB3 LYS A 16 -11.032 25.195 -26.021 1.00 11.21 H new ATOM 0 HG2 LYS A 16 -9.161 25.861 -24.965 1.00 44.33 H new ATOM 0 HG3 LYS A 16 -10.107 25.837 -23.490 1.00 44.33 H new ATOM 0 HD2 LYS A 16 -8.106 24.539 -23.108 1.00 61.11 H new ATOM 0 HD3 LYS A 16 -9.463 23.431 -23.154 1.00 61.11 H new ATOM 0 HE2 LYS A 16 -8.925 22.695 -25.376 1.00 1.54 H new ATOM 0 HE3 LYS A 16 -7.808 24.022 -25.629 1.00 1.54 H new ATOM 0 HZ1 LYS A 16 -6.940 21.667 -24.999 1.00 32.21 H new ATOM 0 HZ2 LYS A 16 -6.197 23.046 -24.346 1.00 32.21 H new ATOM 0 HZ3 LYS A 16 -7.297 22.152 -23.412 1.00 32.21 H new ATOM 258 N ASP A 17 -14.011 26.350 -23.864 1.00 44.23 N ATOM 259 CA ASP A 17 -14.744 27.600 -24.026 1.00 13.23 C ATOM 260 C ASP A 17 -14.910 28.310 -22.685 1.00 74.45 C ATOM 261 O ASP A 17 -15.494 27.762 -21.750 1.00 30.02 O ATOM 262 CB ASP A 17 -16.115 27.335 -24.650 1.00 32.33 C ATOM 263 CG ASP A 17 -17.027 28.543 -24.579 1.00 15.52 C ATOM 264 OD1 ASP A 17 -17.687 28.728 -23.535 1.00 1.22 O ATOM 265 OD2 ASP A 17 -17.083 29.304 -25.568 1.00 3.42 O ATOM 0 H ASP A 17 -14.401 25.720 -23.163 1.00 44.23 H new ATOM 0 HA ASP A 17 -14.170 28.246 -24.690 1.00 13.23 H new ATOM 0 HB2 ASP A 17 -15.986 27.042 -25.692 1.00 32.33 H new ATOM 0 HB3 ASP A 17 -16.588 26.496 -24.139 1.00 32.33 H new ATOM 270 N TYR A 18 -14.393 29.530 -22.600 1.00 1.00 N ATOM 271 CA TYR A 18 -14.481 30.313 -21.373 1.00 43.22 C ATOM 272 C TYR A 18 -14.590 31.803 -21.684 1.00 60.35 C ATOM 273 O TYR A 18 -14.144 32.264 -22.736 1.00 74.12 O ATOM 274 CB TYR A 18 -13.260 30.054 -20.489 1.00 63.22 C ATOM 275 CG TYR A 18 -13.611 29.648 -19.076 1.00 3.14 C ATOM 276 CD1 TYR A 18 -13.959 28.337 -18.774 1.00 64.14 C ATOM 277 CD2 TYR A 18 -13.596 30.576 -18.041 1.00 63.34 C ATOM 278 CE1 TYR A 18 -14.281 27.962 -17.484 1.00 62.35 C ATOM 279 CE2 TYR A 18 -13.915 30.209 -16.748 1.00 50.24 C ATOM 280 CZ TYR A 18 -14.257 28.901 -16.475 1.00 11.20 C ATOM 281 OH TYR A 18 -14.577 28.532 -15.188 1.00 52.45 O ATOM 0 H TYR A 18 -13.909 29.998 -23.366 1.00 1.00 H new ATOM 0 HA TYR A 18 -15.380 30.005 -20.839 1.00 43.22 H new ATOM 0 HB2 TYR A 18 -12.653 29.271 -20.943 1.00 63.22 H new ATOM 0 HB3 TYR A 18 -12.647 30.955 -20.458 1.00 63.22 H new ATOM 0 HD1 TYR A 18 -13.978 27.598 -19.562 1.00 64.14 H new ATOM 0 HD2 TYR A 18 -13.330 31.601 -18.251 1.00 63.34 H new ATOM 0 HE1 TYR A 18 -14.550 26.939 -17.267 1.00 62.35 H new ATOM 0 HE2 TYR A 18 -13.897 30.942 -15.955 1.00 50.24 H new ATOM 0 HH TYR A 18 -14.510 29.312 -14.598 1.00 52.45 H new ATOM 291 N LEU A 19 -15.185 32.551 -20.762 1.00 74.22 N ATOM 292 CA LEU A 19 -15.354 33.989 -20.936 1.00 3.52 C ATOM 293 C LEU A 19 -14.071 34.735 -20.580 1.00 32.43 C ATOM 294 O LEU A 19 -13.297 34.290 -19.732 1.00 33.11 O ATOM 295 CB LEU A 19 -16.508 34.496 -20.070 1.00 34.12 C ATOM 296 CG LEU A 19 -16.371 34.263 -18.565 1.00 1.33 C ATOM 297 CD1 LEU A 19 -16.417 35.585 -17.814 1.00 13.10 C ATOM 298 CD2 LEU A 19 -17.463 33.327 -18.068 1.00 24.12 C ATOM 0 H LEU A 19 -15.559 32.186 -19.886 1.00 74.22 H new ATOM 0 HA LEU A 19 -15.584 34.178 -21.984 1.00 3.52 H new ATOM 0 HB2 LEU A 19 -16.622 35.566 -20.243 1.00 34.12 H new ATOM 0 HB3 LEU A 19 -17.427 34.018 -20.409 1.00 34.12 H new ATOM 0 HG LEU A 19 -15.405 33.794 -18.376 1.00 1.33 H new ATOM 0 HD11 LEU A 19 -16.318 35.400 -16.744 1.00 13.10 H new ATOM 0 HD12 LEU A 19 -15.599 36.222 -18.149 1.00 13.10 H new ATOM 0 HD13 LEU A 19 -17.367 36.082 -18.010 1.00 13.10 H new ATOM 0 HD21 LEU A 19 -17.349 33.173 -16.995 1.00 24.12 H new ATOM 0 HD22 LEU A 19 -18.439 33.767 -18.270 1.00 24.12 H new ATOM 0 HD23 LEU A 19 -17.383 32.369 -18.583 1.00 24.12 H new ATOM 310 N VAL A 20 -13.853 35.872 -21.232 1.00 14.32 N ATOM 311 CA VAL A 20 -12.667 36.682 -20.982 1.00 23.41 C ATOM 312 C VAL A 20 -12.511 36.985 -19.496 1.00 33.10 C ATOM 313 O VAL A 20 -13.493 37.228 -18.795 1.00 42.34 O ATOM 314 CB VAL A 20 -12.717 38.008 -21.763 1.00 13.11 C ATOM 315 CG1 VAL A 20 -12.574 37.755 -23.256 1.00 24.21 C ATOM 316 CG2 VAL A 20 -14.008 38.754 -21.462 1.00 55.02 C ATOM 0 H VAL A 20 -14.483 36.253 -21.938 1.00 14.32 H new ATOM 0 HA VAL A 20 -11.810 36.101 -21.323 1.00 23.41 H new ATOM 0 HB VAL A 20 -11.881 38.630 -21.443 1.00 13.11 H new ATOM 0 HG11 VAL A 20 -12.612 38.704 -23.791 1.00 24.21 H new ATOM 0 HG12 VAL A 20 -11.620 37.265 -23.452 1.00 24.21 H new ATOM 0 HG13 VAL A 20 -13.388 37.114 -23.596 1.00 24.21 H new ATOM 0 HG21 VAL A 20 -14.027 39.689 -22.022 1.00 55.02 H new ATOM 0 HG22 VAL A 20 -14.860 38.139 -21.753 1.00 55.02 H new ATOM 0 HG23 VAL A 20 -14.064 38.969 -20.395 1.00 55.02 H new ATOM 326 N GLY A 21 -11.269 36.969 -19.021 1.00 15.02 N ATOM 327 CA GLY A 21 -11.008 37.244 -17.620 1.00 45.43 C ATOM 328 C GLY A 21 -10.477 36.033 -16.880 1.00 63.45 C ATOM 329 O GLY A 21 -9.896 36.160 -15.803 1.00 1.25 O ATOM 0 H GLY A 21 -10.440 36.771 -19.581 1.00 15.02 H new ATOM 0 HA2 GLY A 21 -10.288 38.059 -17.541 1.00 45.43 H new ATOM 0 HA3 GLY A 21 -11.927 37.583 -17.142 1.00 45.43 H new ATOM 333 N ASP A 22 -10.677 34.854 -17.459 1.00 73.30 N ATOM 334 CA ASP A 22 -10.215 33.613 -16.847 1.00 40.33 C ATOM 335 C ASP A 22 -8.932 33.125 -17.512 1.00 5.02 C ATOM 336 O ASP A 22 -7.908 32.947 -16.852 1.00 21.13 O ATOM 337 CB ASP A 22 -11.297 32.537 -16.946 1.00 62.44 C ATOM 338 CG ASP A 22 -11.612 31.907 -15.604 1.00 23.03 C ATOM 339 OD1 ASP A 22 -12.427 32.484 -14.854 1.00 2.42 O ATOM 340 OD2 ASP A 22 -11.044 30.836 -15.303 1.00 42.42 O ATOM 0 H ASP A 22 -11.156 34.731 -18.351 1.00 73.30 H new ATOM 0 HA ASP A 22 -10.006 33.811 -15.796 1.00 40.33 H new ATOM 0 HB2 ASP A 22 -12.205 32.976 -17.360 1.00 62.44 H new ATOM 0 HB3 ASP A 22 -10.972 31.762 -17.640 1.00 62.44 H new ATOM 345 N SER A 23 -8.994 32.909 -18.822 1.00 15.41 N ATOM 346 CA SER A 23 -7.839 32.437 -19.575 1.00 62.12 C ATOM 347 C SER A 23 -7.436 31.034 -19.130 1.00 14.34 C ATOM 348 O SER A 23 -6.979 30.835 -18.004 1.00 5.25 O ATOM 349 CB SER A 23 -6.661 33.398 -19.399 1.00 72.43 C ATOM 350 OG SER A 23 -6.180 33.849 -20.653 1.00 51.53 O ATOM 0 H SER A 23 -9.833 33.054 -19.384 1.00 15.41 H new ATOM 0 HA SER A 23 -8.114 32.400 -20.629 1.00 62.12 H new ATOM 0 HB2 SER A 23 -6.971 34.252 -18.796 1.00 72.43 H new ATOM 0 HB3 SER A 23 -5.858 32.899 -18.856 1.00 72.43 H new ATOM 0 HG SER A 23 -5.429 34.463 -20.514 1.00 51.53 H new ATOM 356 N LEU A 24 -7.611 30.065 -20.021 1.00 24.32 N ATOM 357 CA LEU A 24 -7.266 28.679 -19.721 1.00 50.22 C ATOM 358 C LEU A 24 -8.125 28.138 -18.583 1.00 13.31 C ATOM 359 O LEU A 24 -7.879 28.430 -17.413 1.00 5.43 O ATOM 360 CB LEU A 24 -5.785 28.569 -19.354 1.00 51.22 C ATOM 361 CG LEU A 24 -4.877 27.938 -20.410 1.00 41.43 C ATOM 362 CD1 LEU A 24 -3.667 28.822 -20.670 1.00 63.10 C ATOM 363 CD2 LEU A 24 -4.440 26.547 -19.976 1.00 33.21 C ATOM 0 H LEU A 24 -7.989 30.213 -20.957 1.00 24.32 H new ATOM 0 HA LEU A 24 -7.458 28.082 -20.612 1.00 50.22 H new ATOM 0 HB2 LEU A 24 -5.411 29.569 -19.132 1.00 51.22 H new ATOM 0 HB3 LEU A 24 -5.701 27.987 -18.436 1.00 51.22 H new ATOM 0 HG LEU A 24 -5.441 27.846 -21.338 1.00 41.43 H new ATOM 0 HD11 LEU A 24 -3.032 28.357 -21.424 1.00 63.10 H new ATOM 0 HD12 LEU A 24 -3.999 29.797 -21.026 1.00 63.10 H new ATOM 0 HD13 LEU A 24 -3.102 28.946 -19.746 1.00 63.10 H new ATOM 0 HD21 LEU A 24 -3.794 26.114 -20.740 1.00 33.21 H new ATOM 0 HD22 LEU A 24 -3.894 26.614 -19.035 1.00 33.21 H new ATOM 0 HD23 LEU A 24 -5.318 25.915 -19.842 1.00 33.21 H new ATOM 375 N ASP A 25 -9.133 27.347 -18.934 1.00 12.30 N ATOM 376 CA ASP A 25 -10.027 26.762 -17.942 1.00 15.34 C ATOM 377 C ASP A 25 -11.005 25.792 -18.597 1.00 35.15 C ATOM 378 O ASP A 25 -12.203 26.067 -18.687 1.00 22.44 O ATOM 379 CB ASP A 25 -10.796 27.861 -17.206 1.00 3.04 C ATOM 380 CG ASP A 25 -11.523 27.339 -15.982 1.00 71.22 C ATOM 381 OD1 ASP A 25 -12.220 26.309 -16.100 1.00 61.14 O ATOM 382 OD2 ASP A 25 -11.395 27.959 -14.906 1.00 42.34 O ATOM 0 H ASP A 25 -9.351 27.096 -19.898 1.00 12.30 H new ATOM 0 HA ASP A 25 -9.421 26.210 -17.224 1.00 15.34 H new ATOM 0 HB2 ASP A 25 -10.103 28.647 -16.906 1.00 3.04 H new ATOM 0 HB3 ASP A 25 -11.516 28.315 -17.887 1.00 3.04 H new ATOM 387 N LEU A 26 -10.488 24.657 -19.053 1.00 70.13 N ATOM 388 CA LEU A 26 -11.315 23.645 -19.701 1.00 53.15 C ATOM 389 C LEU A 26 -11.732 22.565 -18.709 1.00 33.24 C ATOM 390 O LEU A 26 -10.942 22.146 -17.863 1.00 44.22 O ATOM 391 CB LEU A 26 -10.560 23.014 -20.872 1.00 61.32 C ATOM 392 CG LEU A 26 -10.854 21.538 -21.143 1.00 73.12 C ATOM 393 CD1 LEU A 26 -10.720 21.230 -22.627 1.00 1.45 C ATOM 394 CD2 LEU A 26 -9.926 20.650 -20.326 1.00 55.25 C ATOM 0 H LEU A 26 -9.500 24.414 -18.986 1.00 70.13 H new ATOM 0 HA LEU A 26 -12.214 24.133 -20.077 1.00 53.15 H new ATOM 0 HB2 LEU A 26 -10.790 23.581 -21.774 1.00 61.32 H new ATOM 0 HB3 LEU A 26 -9.491 23.123 -20.690 1.00 61.32 H new ATOM 0 HG LEU A 26 -11.881 21.331 -20.841 1.00 73.12 H new ATOM 0 HD11 LEU A 26 -10.933 20.175 -22.800 1.00 1.45 H new ATOM 0 HD12 LEU A 26 -11.426 21.840 -23.190 1.00 1.45 H new ATOM 0 HD13 LEU A 26 -9.705 21.454 -22.955 1.00 1.45 H new ATOM 0 HD21 LEU A 26 -10.150 19.603 -20.532 1.00 55.25 H new ATOM 0 HD22 LEU A 26 -8.891 20.860 -20.596 1.00 55.25 H new ATOM 0 HD23 LEU A 26 -10.072 20.850 -19.265 1.00 55.25 H new ATOM 406 N SER A 27 -12.979 22.116 -18.819 1.00 4.32 N ATOM 407 CA SER A 27 -13.501 21.085 -17.930 1.00 14.54 C ATOM 408 C SER A 27 -14.133 19.949 -18.728 1.00 32.02 C ATOM 409 O SER A 27 -14.626 18.976 -18.158 1.00 14.30 O ATOM 410 CB SER A 27 -14.532 21.684 -16.970 1.00 42.33 C ATOM 411 OG SER A 27 -14.036 21.714 -15.643 1.00 60.11 O ATOM 0 H SER A 27 -13.646 22.450 -19.515 1.00 4.32 H new ATOM 0 HA SER A 27 -12.669 20.682 -17.353 1.00 14.54 H new ATOM 0 HB2 SER A 27 -14.787 22.695 -17.289 1.00 42.33 H new ATOM 0 HB3 SER A 27 -15.450 21.098 -17.005 1.00 42.33 H new ATOM 0 HG SER A 27 -14.712 22.102 -15.050 1.00 60.11 H new ATOM 417 N GLU A 28 -14.114 20.081 -20.050 1.00 64.15 N ATOM 418 CA GLU A 28 -14.685 19.066 -20.927 1.00 72.42 C ATOM 419 C GLU A 28 -13.598 18.149 -21.480 1.00 25.24 C ATOM 420 O GLU A 28 -13.887 17.103 -22.059 1.00 32.11 O ATOM 421 CB GLU A 28 -15.446 19.725 -22.080 1.00 23.12 C ATOM 422 CG GLU A 28 -16.912 19.979 -21.775 1.00 12.44 C ATOM 423 CD GLU A 28 -17.825 18.931 -22.381 1.00 23.14 C ATOM 424 OE1 GLU A 28 -17.535 18.469 -23.504 1.00 11.11 O ATOM 425 OE2 GLU A 28 -18.829 18.572 -21.730 1.00 41.14 O ATOM 0 H GLU A 28 -13.710 20.881 -20.537 1.00 64.15 H new ATOM 0 HA GLU A 28 -15.379 18.465 -20.339 1.00 72.42 H new ATOM 0 HB2 GLU A 28 -14.966 20.672 -22.327 1.00 23.12 H new ATOM 0 HB3 GLU A 28 -15.372 19.090 -22.963 1.00 23.12 H new ATOM 0 HG2 GLU A 28 -17.056 20.000 -20.695 1.00 12.44 H new ATOM 0 HG3 GLU A 28 -17.193 20.962 -22.153 1.00 12.44 H new ATOM 432 N GLY A 29 -12.343 18.550 -21.296 1.00 13.42 N ATOM 433 CA GLY A 29 -11.231 17.755 -21.782 1.00 0.05 C ATOM 434 C GLY A 29 -10.537 16.990 -20.672 1.00 72.21 C ATOM 435 O GLY A 29 -9.532 17.447 -20.128 1.00 42.03 O ATOM 0 H GLY A 29 -12.077 19.411 -20.819 1.00 13.42 H new ATOM 0 HA2 GLY A 29 -11.592 17.052 -22.533 1.00 0.05 H new ATOM 0 HA3 GLY A 29 -10.510 18.407 -22.275 1.00 0.05 H new ATOM 439 N ARG A 30 -11.076 15.823 -20.334 1.00 64.31 N ATOM 440 CA ARG A 30 -10.503 14.994 -19.280 1.00 12.01 C ATOM 441 C ARG A 30 -10.250 13.575 -19.781 1.00 45.31 C ATOM 442 O ARG A 30 -10.914 13.104 -20.704 1.00 63.33 O ATOM 443 CB ARG A 30 -11.435 14.959 -18.067 1.00 62.00 C ATOM 444 CG ARG A 30 -12.753 14.250 -18.332 1.00 22.44 C ATOM 445 CD ARG A 30 -13.939 15.166 -18.077 1.00 35.32 C ATOM 446 NE ARG A 30 -15.200 14.429 -18.032 1.00 2.20 N ATOM 447 CZ ARG A 30 -16.388 15.013 -17.926 1.00 35.44 C ATOM 448 NH1 ARG A 30 -16.478 16.333 -17.854 1.00 14.40 N ATOM 449 NH2 ARG A 30 -17.490 14.274 -17.891 1.00 55.32 N ATOM 0 H ARG A 30 -11.908 15.430 -20.774 1.00 64.31 H new ATOM 0 HA ARG A 30 -9.549 15.432 -18.985 1.00 12.01 H new ATOM 0 HB2 ARG A 30 -10.925 14.463 -17.242 1.00 62.00 H new ATOM 0 HB3 ARG A 30 -11.640 15.981 -17.747 1.00 62.00 H new ATOM 0 HG2 ARG A 30 -12.778 13.899 -19.364 1.00 22.44 H new ATOM 0 HG3 ARG A 30 -12.828 13.369 -17.694 1.00 22.44 H new ATOM 0 HD2 ARG A 30 -13.794 15.694 -17.134 1.00 35.32 H new ATOM 0 HD3 ARG A 30 -13.989 15.922 -18.861 1.00 35.32 H new ATOM 0 HE ARG A 30 -15.166 13.411 -18.085 1.00 2.20 H new ATOM 0 HH11 ARG A 30 -15.633 16.904 -17.880 1.00 14.40 H new ATOM 0 HH12 ARG A 30 -17.392 16.778 -17.773 1.00 14.40 H new ATOM 0 HH21 ARG A 30 -17.424 13.258 -17.945 1.00 55.32 H new ATOM 0 HH22 ARG A 30 -18.402 14.723 -17.810 1.00 55.32 H new ATOM 463 N PHE A 31 -9.284 12.900 -19.166 1.00 70.04 N ATOM 464 CA PHE A 31 -8.941 11.536 -19.551 1.00 32.31 C ATOM 465 C PHE A 31 -9.107 10.581 -18.372 1.00 72.45 C ATOM 466 O PHE A 31 -8.926 10.965 -17.218 1.00 1.33 O ATOM 467 CB PHE A 31 -7.504 11.476 -20.072 1.00 22.02 C ATOM 468 CG PHE A 31 -6.618 12.551 -19.511 1.00 24.05 C ATOM 469 CD1 PHE A 31 -6.168 12.483 -18.202 1.00 14.55 C ATOM 470 CD2 PHE A 31 -6.233 13.629 -20.292 1.00 34.30 C ATOM 471 CE1 PHE A 31 -5.354 13.472 -17.683 1.00 25.25 C ATOM 472 CE2 PHE A 31 -5.418 14.620 -19.779 1.00 33.15 C ATOM 473 CZ PHE A 31 -4.977 14.541 -18.472 1.00 70.33 C ATOM 0 H PHE A 31 -8.725 13.275 -18.399 1.00 70.04 H new ATOM 0 HA PHE A 31 -9.621 11.227 -20.345 1.00 32.31 H new ATOM 0 HB2 PHE A 31 -7.078 10.502 -19.830 1.00 22.02 H new ATOM 0 HB3 PHE A 31 -7.516 11.557 -21.159 1.00 22.02 H new ATOM 0 HD1 PHE A 31 -6.457 11.648 -17.581 1.00 14.55 H new ATOM 0 HD2 PHE A 31 -6.574 13.695 -21.315 1.00 34.30 H new ATOM 0 HE1 PHE A 31 -5.013 13.409 -16.660 1.00 25.25 H new ATOM 0 HE2 PHE A 31 -5.126 15.455 -20.399 1.00 33.15 H new ATOM 0 HZ PHE A 31 -4.339 15.313 -18.068 1.00 70.33 H new ATOM 483 N ALA A 32 -9.454 9.334 -18.674 1.00 21.53 N ATOM 484 CA ALA A 32 -9.643 8.323 -17.641 1.00 32.42 C ATOM 485 C ALA A 32 -8.513 7.299 -17.660 1.00 43.43 C ATOM 486 O ALA A 32 -8.305 6.607 -18.657 1.00 53.41 O ATOM 487 CB ALA A 32 -10.987 7.631 -17.819 1.00 43.11 C ATOM 0 H ALA A 32 -9.610 9.000 -19.625 1.00 21.53 H new ATOM 0 HA ALA A 32 -9.629 8.823 -16.672 1.00 32.42 H new ATOM 0 HB1 ALA A 32 -11.115 6.879 -17.041 1.00 43.11 H new ATOM 0 HB2 ALA A 32 -11.788 8.367 -17.747 1.00 43.11 H new ATOM 0 HB3 ALA A 32 -11.022 7.151 -18.797 1.00 43.11 H new ATOM 493 N VAL A 33 -7.783 7.209 -16.553 1.00 33.03 N ATOM 494 CA VAL A 33 -6.674 6.270 -16.443 1.00 24.34 C ATOM 495 C VAL A 33 -7.021 5.116 -15.508 1.00 43.14 C ATOM 496 O VAL A 33 -7.658 5.312 -14.474 1.00 23.12 O ATOM 497 CB VAL A 33 -5.398 6.965 -15.930 1.00 54.11 C ATOM 498 CG1 VAL A 33 -5.522 7.281 -14.447 1.00 43.33 C ATOM 499 CG2 VAL A 33 -4.176 6.101 -16.200 1.00 21.05 C ATOM 0 H VAL A 33 -7.940 7.775 -15.719 1.00 33.03 H new ATOM 0 HA VAL A 33 -6.490 5.880 -17.444 1.00 24.34 H new ATOM 0 HB VAL A 33 -5.275 7.905 -16.468 1.00 54.11 H new ATOM 0 HG11 VAL A 33 -4.612 7.771 -14.102 1.00 43.33 H new ATOM 0 HG12 VAL A 33 -6.374 7.942 -14.286 1.00 43.33 H new ATOM 0 HG13 VAL A 33 -5.670 6.356 -13.889 1.00 43.33 H new ATOM 0 HG21 VAL A 33 -3.284 6.607 -15.831 1.00 21.05 H new ATOM 0 HG22 VAL A 33 -4.287 5.144 -15.690 1.00 21.05 H new ATOM 0 HG23 VAL A 33 -4.080 5.932 -17.272 1.00 21.05 H new ATOM 509 N ALA A 34 -6.597 3.913 -15.880 1.00 62.44 N ATOM 510 CA ALA A 34 -6.860 2.727 -15.074 1.00 54.14 C ATOM 511 C ALA A 34 -5.620 2.307 -14.293 1.00 40.50 C ATOM 512 O ALA A 34 -4.513 2.288 -14.831 1.00 63.31 O ATOM 513 CB ALA A 34 -7.342 1.585 -15.957 1.00 42.12 C ATOM 0 H ALA A 34 -6.070 3.734 -16.735 1.00 62.44 H new ATOM 0 HA ALA A 34 -7.643 2.973 -14.356 1.00 54.14 H new ATOM 0 HB1 ALA A 34 -7.535 0.706 -15.342 1.00 42.12 H new ATOM 0 HB2 ALA A 34 -8.260 1.880 -16.465 1.00 42.12 H new ATOM 0 HB3 ALA A 34 -6.577 1.350 -16.697 1.00 42.12 H new ATOM 519 N TYR A 35 -5.812 1.973 -13.022 1.00 13.51 N ATOM 520 CA TYR A 35 -4.708 1.557 -12.166 1.00 11.35 C ATOM 521 C TYR A 35 -4.623 0.036 -12.086 1.00 55.04 C ATOM 522 O TYR A 35 -5.641 -0.656 -12.125 1.00 25.33 O ATOM 523 CB TYR A 35 -4.874 2.144 -10.763 1.00 31.45 C ATOM 524 CG TYR A 35 -3.665 1.946 -9.877 1.00 3.42 C ATOM 525 CD1 TYR A 35 -2.378 2.051 -10.391 1.00 71.44 C ATOM 526 CD2 TYR A 35 -3.808 1.655 -8.526 1.00 71.00 C ATOM 527 CE1 TYR A 35 -1.270 1.871 -9.586 1.00 70.42 C ATOM 528 CE2 TYR A 35 -2.706 1.475 -7.713 1.00 61.21 C ATOM 529 CZ TYR A 35 -1.439 1.583 -8.248 1.00 11.42 C ATOM 530 OH TYR A 35 -0.338 1.403 -7.442 1.00 15.23 O ATOM 0 H TYR A 35 -6.722 1.982 -12.562 1.00 13.51 H new ATOM 0 HA TYR A 35 -3.782 1.932 -12.603 1.00 11.35 H new ATOM 0 HB2 TYR A 35 -5.082 3.211 -10.847 1.00 31.45 H new ATOM 0 HB3 TYR A 35 -5.742 1.687 -10.287 1.00 31.45 H new ATOM 0 HD1 TYR A 35 -2.242 2.277 -11.438 1.00 71.44 H new ATOM 0 HD2 TYR A 35 -4.798 1.568 -8.104 1.00 71.00 H new ATOM 0 HE1 TYR A 35 -0.277 1.955 -10.002 1.00 70.42 H new ATOM 0 HE2 TYR A 35 -2.835 1.251 -6.664 1.00 61.21 H new ATOM 0 HH TYR A 35 -0.631 1.208 -6.527 1.00 15.23 H new ATOM 540 N SER A 36 -3.402 -0.477 -11.975 1.00 74.21 N ATOM 541 CA SER A 36 -3.183 -1.916 -11.894 1.00 23.45 C ATOM 542 C SER A 36 -3.870 -2.502 -10.663 1.00 45.05 C ATOM 543 O SER A 36 -4.091 -3.709 -10.578 1.00 64.14 O ATOM 544 CB SER A 36 -1.684 -2.223 -11.850 1.00 35.35 C ATOM 545 OG SER A 36 -0.956 -1.132 -11.315 1.00 1.14 O ATOM 0 H SER A 36 -2.550 0.082 -11.939 1.00 74.21 H new ATOM 0 HA SER A 36 -3.615 -2.375 -12.783 1.00 23.45 H new ATOM 0 HB2 SER A 36 -1.509 -3.113 -11.245 1.00 35.35 H new ATOM 0 HB3 SER A 36 -1.325 -2.446 -12.855 1.00 35.35 H new ATOM 0 HG SER A 36 -0.002 -1.353 -11.296 1.00 1.14 H new ATOM 551 N ASN A 37 -4.204 -1.636 -9.712 1.00 74.32 N ATOM 552 CA ASN A 37 -4.866 -2.066 -8.486 1.00 22.43 C ATOM 553 C ASN A 37 -6.382 -1.960 -8.619 1.00 61.41 C ATOM 554 O ASN A 37 -7.096 -1.840 -7.624 1.00 31.24 O ATOM 555 CB ASN A 37 -4.387 -1.225 -7.301 1.00 42.21 C ATOM 556 CG ASN A 37 -4.596 -1.925 -5.972 1.00 41.13 C ATOM 557 OD1 ASN A 37 -5.207 -1.374 -5.057 1.00 55.41 O ATOM 558 ND2 ASN A 37 -4.087 -3.146 -5.861 1.00 32.52 N ATOM 0 H ASN A 37 -4.027 -0.633 -9.767 1.00 74.32 H new ATOM 0 HA ASN A 37 -4.607 -3.110 -8.311 1.00 22.43 H new ATOM 0 HB2 ASN A 37 -3.328 -0.997 -7.426 1.00 42.21 H new ATOM 0 HB3 ASN A 37 -4.920 -0.274 -7.295 1.00 42.21 H new ATOM 0 HD21 ASN A 37 -4.195 -3.666 -4.990 1.00 32.52 H new ATOM 0 HD22 ASN A 37 -3.588 -3.564 -6.646 1.00 32.52 H new ATOM 565 N ASP A 38 -6.866 -2.006 -9.855 1.00 60.24 N ATOM 566 CA ASP A 38 -8.297 -1.917 -10.120 1.00 33.12 C ATOM 567 C ASP A 38 -8.855 -0.579 -9.646 1.00 51.41 C ATOM 568 O ASP A 38 -9.613 -0.517 -8.678 1.00 14.24 O ATOM 569 CB ASP A 38 -9.037 -3.065 -9.431 1.00 13.32 C ATOM 570 CG ASP A 38 -10.477 -3.185 -9.891 1.00 43.35 C ATOM 571 OD1 ASP A 38 -11.346 -2.506 -9.305 1.00 33.50 O ATOM 572 OD2 ASP A 38 -10.734 -3.956 -10.839 1.00 64.11 O ATOM 0 H ASP A 38 -6.288 -2.104 -10.690 1.00 60.24 H new ATOM 0 HA ASP A 38 -8.448 -1.992 -11.197 1.00 33.12 H new ATOM 0 HB2 ASP A 38 -8.516 -4.001 -9.631 1.00 13.32 H new ATOM 0 HB3 ASP A 38 -9.015 -2.912 -8.352 1.00 13.32 H new ATOM 577 N THR A 39 -8.474 0.493 -10.335 1.00 20.12 N ATOM 578 CA THR A 39 -8.934 1.831 -9.984 1.00 23.54 C ATOM 579 C THR A 39 -9.034 2.719 -11.218 1.00 40.21 C ATOM 580 O THR A 39 -8.416 2.442 -12.245 1.00 45.44 O ATOM 581 CB THR A 39 -7.995 2.497 -8.960 1.00 64.34 C ATOM 582 OG1 THR A 39 -7.075 1.531 -8.438 1.00 41.35 O ATOM 583 CG2 THR A 39 -8.789 3.116 -7.820 1.00 43.23 C ATOM 0 H THR A 39 -7.848 0.460 -11.140 1.00 20.12 H new ATOM 0 HA THR A 39 -9.923 1.719 -9.540 1.00 23.54 H new ATOM 0 HB THR A 39 -7.442 3.287 -9.468 1.00 64.34 H new ATOM 0 HG1 THR A 39 -6.707 1.855 -7.589 1.00 41.35 H new ATOM 0 HG21 THR A 39 -8.105 3.580 -7.110 1.00 43.23 H new ATOM 0 HG22 THR A 39 -9.467 3.871 -8.217 1.00 43.23 H new ATOM 0 HG23 THR A 39 -9.365 2.341 -7.315 1.00 43.23 H new ATOM 591 N MET A 40 -9.816 3.788 -11.110 1.00 53.11 N ATOM 592 CA MET A 40 -9.995 4.719 -12.218 1.00 74.35 C ATOM 593 C MET A 40 -10.040 6.159 -11.717 1.00 73.24 C ATOM 594 O MET A 40 -10.697 6.458 -10.721 1.00 23.35 O ATOM 595 CB MET A 40 -11.279 4.392 -12.984 1.00 51.50 C ATOM 596 CG MET A 40 -11.056 3.496 -14.191 1.00 22.31 C ATOM 597 SD MET A 40 -12.102 2.027 -14.168 1.00 42.21 S ATOM 598 CE MET A 40 -13.031 2.250 -15.683 1.00 13.11 C ATOM 0 H MET A 40 -10.336 4.031 -10.267 1.00 53.11 H new ATOM 0 HA MET A 40 -9.143 4.614 -12.890 1.00 74.35 H new ATOM 0 HB2 MET A 40 -11.982 3.907 -12.307 1.00 51.50 H new ATOM 0 HB3 MET A 40 -11.743 5.322 -13.313 1.00 51.50 H new ATOM 0 HG2 MET A 40 -11.253 4.063 -15.101 1.00 22.31 H new ATOM 0 HG3 MET A 40 -10.010 3.192 -14.225 1.00 22.31 H new ATOM 0 HE1 MET A 40 -13.724 1.419 -15.810 1.00 13.11 H new ATOM 0 HE2 MET A 40 -13.590 3.184 -15.633 1.00 13.11 H new ATOM 0 HE3 MET A 40 -12.345 2.283 -16.529 1.00 13.11 H new ATOM 608 N GLU A 41 -9.338 7.046 -12.415 1.00 70.14 N ATOM 609 CA GLU A 41 -9.298 8.454 -12.039 1.00 51.11 C ATOM 610 C GLU A 41 -9.534 9.348 -13.253 1.00 5.52 C ATOM 611 O GLU A 41 -8.947 9.138 -14.314 1.00 0.41 O ATOM 612 CB GLU A 41 -7.953 8.795 -11.394 1.00 61.52 C ATOM 613 CG GLU A 41 -8.048 9.089 -9.907 1.00 13.43 C ATOM 614 CD GLU A 41 -8.438 10.527 -9.621 1.00 30.33 C ATOM 615 OE1 GLU A 41 -8.894 11.216 -10.557 1.00 30.13 O ATOM 616 OE2 GLU A 41 -8.287 10.962 -8.460 1.00 20.23 O ATOM 0 H GLU A 41 -8.790 6.815 -13.243 1.00 70.14 H new ATOM 0 HA GLU A 41 -10.094 8.634 -11.317 1.00 51.11 H new ATOM 0 HB2 GLU A 41 -7.265 7.964 -11.548 1.00 61.52 H new ATOM 0 HB3 GLU A 41 -7.526 9.661 -11.900 1.00 61.52 H new ATOM 0 HG2 GLU A 41 -8.780 8.421 -9.454 1.00 13.43 H new ATOM 0 HG3 GLU A 41 -7.088 8.876 -9.436 1.00 13.43 H new ATOM 623 N GLU A 42 -10.396 10.346 -13.087 1.00 55.00 N ATOM 624 CA GLU A 42 -10.711 11.271 -14.169 1.00 45.34 C ATOM 625 C GLU A 42 -10.320 12.698 -13.796 1.00 13.45 C ATOM 626 O GLU A 42 -10.585 13.155 -12.683 1.00 1.21 O ATOM 627 CB GLU A 42 -12.202 11.210 -14.506 1.00 0.22 C ATOM 628 CG GLU A 42 -13.102 11.647 -13.362 1.00 72.13 C ATOM 629 CD GLU A 42 -14.575 11.488 -13.686 1.00 51.52 C ATOM 630 OE1 GLU A 42 -14.923 11.503 -14.886 1.00 10.23 O ATOM 631 OE2 GLU A 42 -15.379 11.350 -12.741 1.00 55.13 O ATOM 0 H GLU A 42 -10.888 10.535 -12.214 1.00 55.00 H new ATOM 0 HA GLU A 42 -10.136 10.973 -15.046 1.00 45.34 H new ATOM 0 HB2 GLU A 42 -12.396 11.842 -15.372 1.00 0.22 H new ATOM 0 HB3 GLU A 42 -12.460 10.190 -14.791 1.00 0.22 H new ATOM 0 HG2 GLU A 42 -12.864 11.062 -12.473 1.00 72.13 H new ATOM 0 HG3 GLU A 42 -12.897 12.690 -13.121 1.00 72.13 H new ATOM 638 N HIS A 43 -9.689 13.398 -14.733 1.00 61.11 N ATOM 639 CA HIS A 43 -9.262 14.773 -14.503 1.00 44.40 C ATOM 640 C HIS A 43 -9.178 15.543 -15.818 1.00 4.34 C ATOM 641 O HIS A 43 -8.752 15.003 -16.838 1.00 43.14 O ATOM 642 CB HIS A 43 -7.906 14.797 -13.797 1.00 44.31 C ATOM 643 CG HIS A 43 -7.958 15.383 -12.420 1.00 4.32 C ATOM 644 ND1 HIS A 43 -7.115 14.989 -11.402 1.00 33.13 N ATOM 645 CD2 HIS A 43 -8.757 16.341 -11.895 1.00 2.51 C ATOM 646 CE1 HIS A 43 -7.395 15.678 -10.310 1.00 33.22 C ATOM 647 NE2 HIS A 43 -8.387 16.506 -10.583 1.00 35.04 N ATOM 0 H HIS A 43 -9.462 13.035 -15.659 1.00 61.11 H new ATOM 0 HA HIS A 43 -10.003 15.256 -13.866 1.00 44.40 H new ATOM 0 HB2 HIS A 43 -7.520 13.780 -13.736 1.00 44.31 H new ATOM 0 HB3 HIS A 43 -7.202 15.370 -14.400 1.00 44.31 H new ATOM 0 HD2 HIS A 43 -9.540 16.876 -12.412 1.00 2.51 H new ATOM 0 HE1 HIS A 43 -6.897 15.581 -9.356 1.00 33.22 H new ATOM 0 HE2 HIS A 43 -8.810 17.162 -9.926 1.00 35.04 H new ATOM 655 N SER A 44 -9.587 16.807 -15.785 1.00 13.42 N ATOM 656 CA SER A 44 -9.563 17.650 -16.975 1.00 4.04 C ATOM 657 C SER A 44 -8.432 18.671 -16.894 1.00 11.33 C ATOM 658 O SER A 44 -8.358 19.459 -15.950 1.00 65.31 O ATOM 659 CB SER A 44 -10.903 18.368 -17.145 1.00 3.35 C ATOM 660 OG SER A 44 -10.939 19.566 -16.389 1.00 3.35 O ATOM 0 H SER A 44 -9.939 17.270 -14.947 1.00 13.42 H new ATOM 0 HA SER A 44 -9.390 17.010 -17.840 1.00 4.04 H new ATOM 0 HB2 SER A 44 -11.067 18.594 -18.199 1.00 3.35 H new ATOM 0 HB3 SER A 44 -11.714 17.711 -16.830 1.00 3.35 H new ATOM 0 HG SER A 44 -10.136 19.625 -15.831 1.00 3.35 H new ATOM 666 N PHE A 45 -7.553 18.652 -17.890 1.00 73.23 N ATOM 667 CA PHE A 45 -6.425 19.575 -17.933 1.00 30.31 C ATOM 668 C PHE A 45 -5.759 19.683 -16.564 1.00 61.23 C ATOM 669 O PHE A 45 -5.327 20.761 -16.154 1.00 31.32 O ATOM 670 CB PHE A 45 -6.887 20.957 -18.398 1.00 41.24 C ATOM 671 CG PHE A 45 -5.766 21.831 -18.884 1.00 54.43 C ATOM 672 CD1 PHE A 45 -5.171 21.598 -20.113 1.00 63.12 C ATOM 673 CD2 PHE A 45 -5.308 22.886 -18.112 1.00 14.53 C ATOM 674 CE1 PHE A 45 -4.140 22.401 -20.564 1.00 24.35 C ATOM 675 CE2 PHE A 45 -4.278 23.693 -18.557 1.00 20.11 C ATOM 676 CZ PHE A 45 -3.692 23.449 -19.784 1.00 30.03 C ATOM 0 H PHE A 45 -7.600 18.007 -18.679 1.00 73.23 H new ATOM 0 HA PHE A 45 -5.696 19.186 -18.643 1.00 30.31 H new ATOM 0 HB2 PHE A 45 -7.617 20.837 -19.199 1.00 41.24 H new ATOM 0 HB3 PHE A 45 -7.396 21.457 -17.574 1.00 41.24 H new ATOM 0 HD1 PHE A 45 -5.517 20.779 -20.726 1.00 63.12 H new ATOM 0 HD2 PHE A 45 -5.761 23.080 -17.151 1.00 14.53 H new ATOM 0 HE1 PHE A 45 -3.686 22.209 -21.525 1.00 24.35 H new ATOM 0 HE2 PHE A 45 -3.932 24.514 -17.946 1.00 20.11 H new ATOM 0 HZ PHE A 45 -2.885 24.077 -20.133 1.00 30.03 H new ATOM 686 N THR A 46 -5.679 18.558 -15.861 1.00 34.52 N ATOM 687 CA THR A 46 -5.068 18.525 -14.538 1.00 72.42 C ATOM 688 C THR A 46 -3.688 17.879 -14.586 1.00 71.01 C ATOM 689 O THR A 46 -2.682 18.519 -14.279 1.00 31.30 O ATOM 690 CB THR A 46 -5.947 17.757 -13.532 1.00 41.13 C ATOM 691 OG1 THR A 46 -7.301 17.716 -13.996 1.00 10.50 O ATOM 692 CG2 THR A 46 -5.895 18.411 -12.160 1.00 21.44 C ATOM 0 H THR A 46 -6.030 17.657 -16.186 1.00 34.52 H new ATOM 0 HA THR A 46 -4.971 19.560 -14.209 1.00 72.42 H new ATOM 0 HB THR A 46 -5.562 16.741 -13.448 1.00 41.13 H new ATOM 0 HG1 THR A 46 -7.827 18.399 -13.530 1.00 10.50 H new ATOM 0 HG21 THR A 46 -6.523 17.852 -11.466 1.00 21.44 H new ATOM 0 HG22 THR A 46 -4.867 18.414 -11.797 1.00 21.44 H new ATOM 0 HG23 THR A 46 -6.258 19.436 -12.232 1.00 21.44 H new ATOM 700 N ASP A 47 -3.647 16.609 -14.974 1.00 35.04 N ATOM 701 CA ASP A 47 -2.389 15.877 -15.064 1.00 35.15 C ATOM 702 C ASP A 47 -1.369 16.649 -15.894 1.00 54.41 C ATOM 703 O ASP A 47 -1.721 17.301 -16.877 1.00 73.41 O ATOM 704 CB ASP A 47 -2.622 14.494 -15.675 1.00 42.52 C ATOM 705 CG ASP A 47 -1.331 13.831 -16.113 1.00 20.44 C ATOM 706 OD1 ASP A 47 -0.416 13.702 -15.273 1.00 33.34 O ATOM 707 OD2 ASP A 47 -1.235 13.441 -17.295 1.00 71.54 O ATOM 0 H ASP A 47 -4.471 16.065 -15.231 1.00 35.04 H new ATOM 0 HA ASP A 47 -1.993 15.758 -14.055 1.00 35.15 H new ATOM 0 HB2 ASP A 47 -3.125 13.858 -14.947 1.00 42.52 H new ATOM 0 HB3 ASP A 47 -3.289 14.586 -16.532 1.00 42.52 H new ATOM 712 N GLU A 48 -0.105 16.573 -15.491 1.00 30.53 N ATOM 713 CA GLU A 48 0.965 17.267 -16.197 1.00 61.54 C ATOM 714 C GLU A 48 1.642 16.341 -17.204 1.00 24.33 C ATOM 715 O GLU A 48 2.841 16.451 -17.456 1.00 64.10 O ATOM 716 CB GLU A 48 1.999 17.802 -15.204 1.00 72.23 C ATOM 717 CG GLU A 48 1.619 19.139 -14.592 1.00 12.42 C ATOM 718 CD GLU A 48 0.473 19.025 -13.605 1.00 62.21 C ATOM 719 OE1 GLU A 48 0.464 18.057 -12.816 1.00 14.21 O ATOM 720 OE2 GLU A 48 -0.414 19.904 -13.622 1.00 60.23 O ATOM 0 H GLU A 48 0.203 16.038 -14.679 1.00 30.53 H new ATOM 0 HA GLU A 48 0.525 18.105 -16.738 1.00 61.54 H new ATOM 0 HB2 GLU A 48 2.136 17.072 -14.406 1.00 72.23 H new ATOM 0 HB3 GLU A 48 2.959 17.903 -15.711 1.00 72.23 H new ATOM 0 HG2 GLU A 48 2.487 19.563 -14.087 1.00 12.42 H new ATOM 0 HG3 GLU A 48 1.342 19.832 -15.386 1.00 12.42 H new ATOM 727 N GLY A 49 0.864 15.427 -17.776 1.00 31.24 N ATOM 728 CA GLY A 49 1.405 14.494 -18.747 1.00 41.40 C ATOM 729 C GLY A 49 1.196 14.958 -20.175 1.00 3.41 C ATOM 730 O GLY A 49 2.033 14.714 -21.044 1.00 24.43 O ATOM 0 H GLY A 49 -0.132 15.316 -17.584 1.00 31.24 H new ATOM 0 HA2 GLY A 49 2.471 14.361 -18.564 1.00 41.40 H new ATOM 0 HA3 GLY A 49 0.934 13.520 -18.612 1.00 41.40 H new ATOM 734 N VAL A 50 0.075 15.629 -20.420 1.00 1.45 N ATOM 735 CA VAL A 50 -0.242 16.128 -21.752 1.00 42.33 C ATOM 736 C VAL A 50 0.180 17.585 -21.909 1.00 22.15 C ATOM 737 O VAL A 50 0.074 18.376 -20.972 1.00 32.43 O ATOM 738 CB VAL A 50 -1.747 16.006 -22.054 1.00 13.31 C ATOM 739 CG1 VAL A 50 -2.196 14.556 -21.956 1.00 42.14 C ATOM 740 CG2 VAL A 50 -2.552 16.887 -21.110 1.00 34.41 C ATOM 0 H VAL A 50 -0.629 15.839 -19.713 1.00 1.45 H new ATOM 0 HA VAL A 50 0.314 15.514 -22.460 1.00 42.33 H new ATOM 0 HB VAL A 50 -1.924 16.348 -23.074 1.00 13.31 H new ATOM 0 HG11 VAL A 50 -3.262 14.490 -22.173 1.00 42.14 H new ATOM 0 HG12 VAL A 50 -1.641 13.954 -22.676 1.00 42.14 H new ATOM 0 HG13 VAL A 50 -2.007 14.184 -20.949 1.00 42.14 H new ATOM 0 HG21 VAL A 50 -3.614 16.789 -21.337 1.00 34.41 H new ATOM 0 HG22 VAL A 50 -2.371 16.578 -20.081 1.00 34.41 H new ATOM 0 HG23 VAL A 50 -2.249 17.926 -21.235 1.00 34.41 H new ATOM 750 N GLU A 51 0.659 17.932 -23.099 1.00 50.21 N ATOM 751 CA GLU A 51 1.097 19.295 -23.377 1.00 65.25 C ATOM 752 C GLU A 51 0.438 19.830 -24.645 1.00 40.32 C ATOM 753 O GLU A 51 0.572 19.247 -25.721 1.00 61.51 O ATOM 754 CB GLU A 51 2.620 19.345 -23.521 1.00 70.02 C ATOM 755 CG GLU A 51 3.363 19.110 -22.217 1.00 34.04 C ATOM 756 CD GLU A 51 4.452 20.137 -21.972 1.00 75.41 C ATOM 757 OE1 GLU A 51 5.483 20.085 -22.674 1.00 62.31 O ATOM 758 OE2 GLU A 51 4.273 20.991 -21.079 1.00 54.04 O ATOM 0 H GLU A 51 0.754 17.289 -23.885 1.00 50.21 H new ATOM 0 HA GLU A 51 0.797 19.924 -22.539 1.00 65.25 H new ATOM 0 HB2 GLU A 51 2.933 18.595 -24.248 1.00 70.02 H new ATOM 0 HB3 GLU A 51 2.907 20.317 -23.923 1.00 70.02 H new ATOM 0 HG2 GLU A 51 2.654 19.134 -21.390 1.00 34.04 H new ATOM 0 HG3 GLU A 51 3.805 18.114 -22.229 1.00 34.04 H new ATOM 765 N ILE A 52 -0.274 20.944 -24.509 1.00 74.43 N ATOM 766 CA ILE A 52 -0.954 21.558 -25.643 1.00 11.01 C ATOM 767 C ILE A 52 -0.172 22.756 -26.170 1.00 5.13 C ATOM 768 O ILE A 52 0.377 23.541 -25.396 1.00 63.22 O ATOM 769 CB ILE A 52 -2.377 22.013 -25.267 1.00 44.31 C ATOM 770 CG1 ILE A 52 -3.317 20.809 -25.186 1.00 65.35 C ATOM 771 CG2 ILE A 52 -2.892 23.028 -26.277 1.00 32.31 C ATOM 772 CD1 ILE A 52 -3.071 19.931 -23.979 1.00 72.55 C ATOM 0 H ILE A 52 -0.395 21.439 -23.626 1.00 74.43 H new ATOM 0 HA ILE A 52 -1.018 20.798 -26.422 1.00 11.01 H new ATOM 0 HB ILE A 52 -2.343 22.489 -24.287 1.00 44.31 H new ATOM 0 HG12 ILE A 52 -4.347 21.164 -25.163 1.00 65.35 H new ATOM 0 HG13 ILE A 52 -3.206 20.210 -26.090 1.00 65.35 H new ATOM 0 HG21 ILE A 52 -3.898 23.340 -25.998 1.00 32.31 H new ATOM 0 HG22 ILE A 52 -2.233 23.896 -26.289 1.00 32.31 H new ATOM 0 HG23 ILE A 52 -2.914 22.576 -27.268 1.00 32.31 H new ATOM 0 HD11 ILE A 52 -3.773 19.097 -23.986 1.00 72.55 H new ATOM 0 HD12 ILE A 52 -2.051 19.547 -24.010 1.00 72.55 H new ATOM 0 HD13 ILE A 52 -3.211 20.515 -23.070 1.00 72.55 H new ATOM 784 N SER A 53 -0.126 22.892 -27.491 1.00 60.42 N ATOM 785 CA SER A 53 0.591 23.993 -28.122 1.00 41.43 C ATOM 786 C SER A 53 -0.220 24.581 -29.273 1.00 52.11 C ATOM 787 O SER A 53 -1.093 23.920 -29.834 1.00 23.52 O ATOM 788 CB SER A 53 1.952 23.517 -28.634 1.00 1.52 C ATOM 789 OG SER A 53 3.002 23.994 -27.809 1.00 73.33 O ATOM 0 H SER A 53 -0.577 22.253 -28.145 1.00 60.42 H new ATOM 0 HA SER A 53 0.744 24.770 -27.373 1.00 41.43 H new ATOM 0 HB2 SER A 53 1.973 22.428 -28.662 1.00 1.52 H new ATOM 0 HB3 SER A 53 2.102 23.865 -29.656 1.00 1.52 H new ATOM 0 HG SER A 53 3.861 23.675 -28.156 1.00 73.33 H new ATOM 795 N GLY A 54 0.075 25.830 -29.620 1.00 1.43 N ATOM 796 CA GLY A 54 -0.635 26.488 -30.701 1.00 61.33 C ATOM 797 C GLY A 54 -1.647 27.499 -30.200 1.00 44.23 C ATOM 798 O GLY A 54 -2.038 28.410 -30.930 1.00 44.34 O ATOM 0 H GLY A 54 0.794 26.398 -29.171 1.00 1.43 H new ATOM 0 HA2 GLY A 54 0.083 26.989 -31.351 1.00 61.33 H new ATOM 0 HA3 GLY A 54 -1.144 25.738 -31.306 1.00 61.33 H new ATOM 802 N TYR A 55 -2.073 27.339 -28.953 1.00 20.24 N ATOM 803 CA TYR A 55 -3.049 28.243 -28.356 1.00 41.11 C ATOM 804 C TYR A 55 -2.362 29.461 -27.746 1.00 65.12 C ATOM 805 O TYR A 55 -1.285 29.351 -27.159 1.00 61.02 O ATOM 806 CB TYR A 55 -3.864 27.514 -27.286 1.00 44.22 C ATOM 807 CG TYR A 55 -4.204 28.377 -26.092 1.00 54.13 C ATOM 808 CD1 TYR A 55 -3.330 28.488 -25.018 1.00 63.42 C ATOM 809 CD2 TYR A 55 -5.401 29.081 -26.038 1.00 30.24 C ATOM 810 CE1 TYR A 55 -3.637 29.274 -23.925 1.00 10.12 C ATOM 811 CE2 TYR A 55 -5.716 29.871 -24.949 1.00 61.10 C ATOM 812 CZ TYR A 55 -4.831 29.964 -23.895 1.00 40.12 C ATOM 813 OH TYR A 55 -5.142 30.749 -22.808 1.00 63.14 O ATOM 0 H TYR A 55 -1.758 26.591 -28.335 1.00 20.24 H new ATOM 0 HA TYR A 55 -3.720 28.584 -29.145 1.00 41.11 H new ATOM 0 HB2 TYR A 55 -4.788 27.146 -27.733 1.00 44.22 H new ATOM 0 HB3 TYR A 55 -3.305 26.642 -26.946 1.00 44.22 H new ATOM 0 HD1 TYR A 55 -2.394 27.950 -25.038 1.00 63.42 H new ATOM 0 HD2 TYR A 55 -6.097 29.009 -26.861 1.00 30.24 H new ATOM 0 HE1 TYR A 55 -2.946 29.348 -23.098 1.00 10.12 H new ATOM 0 HE2 TYR A 55 -6.650 30.413 -24.923 1.00 61.10 H new ATOM 0 HH TYR A 55 -5.158 31.691 -23.078 1.00 63.14 H new ATOM 823 N ASP A 56 -2.992 30.621 -27.889 1.00 52.22 N ATOM 824 CA ASP A 56 -2.444 31.861 -27.352 1.00 21.15 C ATOM 825 C ASP A 56 -3.043 32.171 -25.983 1.00 44.42 C ATOM 826 O ASP A 56 -4.262 32.198 -25.820 1.00 20.22 O ATOM 827 CB ASP A 56 -2.709 33.020 -28.313 1.00 53.41 C ATOM 828 CG ASP A 56 -1.535 33.289 -29.234 1.00 13.21 C ATOM 829 OD1 ASP A 56 -0.797 32.332 -29.548 1.00 51.51 O ATOM 830 OD2 ASP A 56 -1.354 34.457 -29.640 1.00 32.54 O ATOM 0 H ASP A 56 -3.884 30.729 -28.373 1.00 52.22 H new ATOM 0 HA ASP A 56 -1.367 31.734 -27.238 1.00 21.15 H new ATOM 0 HB2 ASP A 56 -3.593 32.797 -28.911 1.00 53.41 H new ATOM 0 HB3 ASP A 56 -2.931 33.920 -27.740 1.00 53.41 H new ATOM 835 N ALA A 57 -2.176 32.405 -25.003 1.00 20.21 N ATOM 836 CA ALA A 57 -2.619 32.714 -23.649 1.00 40.12 C ATOM 837 C ALA A 57 -3.707 33.783 -23.658 1.00 60.43 C ATOM 838 O ALA A 57 -4.886 33.481 -23.474 1.00 41.51 O ATOM 839 CB ALA A 57 -1.441 33.165 -22.798 1.00 41.15 C ATOM 0 H ALA A 57 -1.163 32.386 -25.122 1.00 20.21 H new ATOM 0 HA ALA A 57 -3.040 31.807 -23.215 1.00 40.12 H new ATOM 0 HB1 ALA A 57 -1.787 33.392 -21.790 1.00 41.15 H new ATOM 0 HB2 ALA A 57 -0.697 32.370 -22.756 1.00 41.15 H new ATOM 0 HB3 ALA A 57 -0.994 34.057 -23.238 1.00 41.15 H new ATOM 845 N GLN A 58 -3.303 35.030 -23.873 1.00 42.42 N ATOM 846 CA GLN A 58 -4.244 36.143 -23.905 1.00 15.25 C ATOM 847 C GLN A 58 -4.742 36.396 -25.324 1.00 64.30 C ATOM 848 O GLN A 58 -4.621 37.503 -25.848 1.00 1.41 O ATOM 849 CB GLN A 58 -3.590 37.409 -23.348 1.00 22.30 C ATOM 850 CG GLN A 58 -4.586 38.426 -22.816 1.00 35.54 C ATOM 851 CD GLN A 58 -5.415 37.884 -21.667 1.00 53.44 C ATOM 852 OE1 GLN A 58 -4.919 37.130 -20.830 1.00 12.42 O ATOM 853 NE2 GLN A 58 -6.686 38.267 -21.622 1.00 40.41 N ATOM 0 H GLN A 58 -2.330 35.295 -24.028 1.00 42.42 H new ATOM 0 HA GLN A 58 -5.099 35.880 -23.282 1.00 15.25 H new ATOM 0 HB2 GLN A 58 -2.905 37.131 -22.547 1.00 22.30 H new ATOM 0 HB3 GLN A 58 -2.993 37.874 -24.132 1.00 22.30 H new ATOM 0 HG2 GLN A 58 -4.050 39.315 -22.485 1.00 35.54 H new ATOM 0 HG3 GLN A 58 -5.249 38.736 -23.623 1.00 35.54 H new ATOM 0 HE21 GLN A 58 -7.055 38.894 -22.337 1.00 40.41 H new ATOM 0 HE22 GLN A 58 -7.293 37.935 -20.872 1.00 40.41 H new ATOM 862 N LYS A 59 -5.301 35.361 -25.942 1.00 41.35 N ATOM 863 CA LYS A 59 -5.818 35.470 -27.302 1.00 22.15 C ATOM 864 C LYS A 59 -6.377 34.134 -27.779 1.00 73.33 C ATOM 865 O LYS A 59 -5.670 33.126 -27.806 1.00 30.12 O ATOM 866 CB LYS A 59 -4.716 35.943 -28.252 1.00 64.51 C ATOM 867 CG LYS A 59 -5.021 37.269 -28.926 1.00 50.00 C ATOM 868 CD LYS A 59 -3.802 38.176 -28.949 1.00 54.41 C ATOM 869 CE LYS A 59 -3.529 38.707 -30.348 1.00 52.30 C ATOM 870 NZ LYS A 59 -2.187 39.346 -30.447 1.00 35.33 N ATOM 0 H LYS A 59 -5.408 34.437 -25.523 1.00 41.35 H new ATOM 0 HA LYS A 59 -6.626 36.202 -27.300 1.00 22.15 H new ATOM 0 HB2 LYS A 59 -3.783 36.034 -27.696 1.00 64.51 H new ATOM 0 HB3 LYS A 59 -4.558 35.184 -29.018 1.00 64.51 H new ATOM 0 HG2 LYS A 59 -5.362 37.090 -29.946 1.00 50.00 H new ATOM 0 HG3 LYS A 59 -5.836 37.766 -28.400 1.00 50.00 H new ATOM 0 HD2 LYS A 59 -3.955 39.011 -28.265 1.00 54.41 H new ATOM 0 HD3 LYS A 59 -2.931 37.626 -28.591 1.00 54.41 H new ATOM 0 HE2 LYS A 59 -3.596 37.890 -31.066 1.00 52.30 H new ATOM 0 HE3 LYS A 59 -4.297 39.432 -30.618 1.00 52.30 H new ATOM 0 HZ1 LYS A 59 -2.039 39.695 -31.416 1.00 35.33 H new ATOM 0 HZ2 LYS A 59 -2.131 40.142 -29.780 1.00 35.33 H new ATOM 0 HZ3 LYS A 59 -1.452 38.648 -30.215 1.00 35.33 H new ATOM 884 N THR A 60 -7.652 34.132 -28.158 1.00 2.21 N ATOM 885 CA THR A 60 -8.306 32.920 -28.635 1.00 42.31 C ATOM 886 C THR A 60 -8.846 33.107 -30.048 1.00 65.14 C ATOM 887 O THR A 60 -8.205 32.718 -31.024 1.00 51.33 O ATOM 888 CB THR A 60 -9.462 32.503 -27.707 1.00 14.50 C ATOM 889 OG1 THR A 60 -9.922 33.634 -26.959 1.00 1.55 O ATOM 890 CG2 THR A 60 -9.021 31.403 -26.754 1.00 15.24 C ATOM 0 H THR A 60 -8.252 34.957 -28.144 1.00 2.21 H new ATOM 0 HA THR A 60 -7.551 32.134 -28.638 1.00 42.31 H new ATOM 0 HB THR A 60 -10.275 32.122 -28.325 1.00 14.50 H new ATOM 0 HG1 THR A 60 -9.540 33.607 -26.057 1.00 1.55 H new ATOM 0 HG21 THR A 60 -9.854 31.125 -26.109 1.00 15.24 H new ATOM 0 HG22 THR A 60 -8.700 30.533 -27.326 1.00 15.24 H new ATOM 0 HG23 THR A 60 -8.193 31.761 -26.143 1.00 15.24 H new ATOM 898 N GLY A 61 -10.028 33.705 -30.151 1.00 55.43 N ATOM 899 CA GLY A 61 -10.634 33.934 -31.450 1.00 60.43 C ATOM 900 C GLY A 61 -10.516 32.730 -32.364 1.00 53.02 C ATOM 901 O GLY A 61 -10.016 32.839 -33.484 1.00 24.14 O ATOM 0 H GLY A 61 -10.578 34.035 -29.358 1.00 55.43 H new ATOM 0 HA2 GLY A 61 -11.687 34.184 -31.318 1.00 60.43 H new ATOM 0 HA3 GLY A 61 -10.159 34.794 -31.923 1.00 60.43 H new ATOM 905 N ARG A 62 -10.977 31.579 -31.886 1.00 72.23 N ATOM 906 CA ARG A 62 -10.918 30.349 -32.667 1.00 55.13 C ATOM 907 C ARG A 62 -9.472 29.941 -32.930 1.00 60.42 C ATOM 908 O ARG A 62 -8.994 30.011 -34.062 1.00 4.22 O ATOM 909 CB ARG A 62 -11.659 30.527 -33.994 1.00 63.32 C ATOM 910 CG ARG A 62 -12.114 29.217 -34.618 1.00 2.43 C ATOM 911 CD ARG A 62 -13.467 29.364 -35.296 1.00 31.14 C ATOM 912 NE ARG A 62 -13.416 30.287 -36.427 1.00 23.54 N ATOM 913 CZ ARG A 62 -14.484 30.652 -37.126 1.00 72.54 C ATOM 914 NH1 ARG A 62 -15.681 30.175 -36.813 1.00 21.24 N ATOM 915 NH2 ARG A 62 -14.357 31.496 -38.142 1.00 62.43 N ATOM 0 H ARG A 62 -11.395 31.472 -30.962 1.00 72.23 H new ATOM 0 HA ARG A 62 -11.401 29.559 -32.092 1.00 55.13 H new ATOM 0 HB2 ARG A 62 -12.529 31.164 -33.832 1.00 63.32 H new ATOM 0 HB3 ARG A 62 -11.009 31.048 -34.697 1.00 63.32 H new ATOM 0 HG2 ARG A 62 -11.375 28.884 -35.347 1.00 2.43 H new ATOM 0 HG3 ARG A 62 -12.173 28.447 -33.849 1.00 2.43 H new ATOM 0 HD2 ARG A 62 -13.808 28.388 -35.640 1.00 31.14 H new ATOM 0 HD3 ARG A 62 -14.199 29.720 -34.571 1.00 31.14 H new ATOM 0 HE ARG A 62 -12.510 30.672 -36.694 1.00 23.54 H new ATOM 0 HH11 ARG A 62 -15.783 29.526 -36.033 1.00 21.24 H new ATOM 0 HH12 ARG A 62 -16.500 30.458 -37.352 1.00 21.24 H new ATOM 0 HH21 ARG A 62 -13.438 31.865 -38.387 1.00 62.43 H new ATOM 0 HH22 ARG A 62 -15.178 31.776 -38.678 1.00 62.43 H new ATOM 929 N GLN A 63 -8.782 29.514 -31.877 1.00 51.31 N ATOM 930 CA GLN A 63 -7.390 29.096 -31.995 1.00 33.03 C ATOM 931 C GLN A 63 -7.275 27.575 -31.973 1.00 52.41 C ATOM 932 O GLN A 63 -8.045 26.893 -31.296 1.00 24.22 O ATOM 933 CB GLN A 63 -6.557 29.699 -30.862 1.00 72.42 C ATOM 934 CG GLN A 63 -5.886 31.011 -31.232 1.00 52.45 C ATOM 935 CD GLN A 63 -4.456 30.825 -31.698 1.00 63.31 C ATOM 936 OE1 GLN A 63 -3.539 31.484 -31.206 1.00 34.31 O ATOM 937 NE2 GLN A 63 -4.256 29.923 -32.652 1.00 73.21 N ATOM 0 H GLN A 63 -9.164 29.448 -30.933 1.00 51.31 H new ATOM 0 HA GLN A 63 -7.008 29.457 -32.950 1.00 33.03 H new ATOM 0 HB2 GLN A 63 -7.199 29.861 -29.996 1.00 72.42 H new ATOM 0 HB3 GLN A 63 -5.793 28.982 -30.563 1.00 72.42 H new ATOM 0 HG2 GLN A 63 -6.460 31.499 -32.020 1.00 52.45 H new ATOM 0 HG3 GLN A 63 -5.899 31.677 -30.369 1.00 52.45 H new ATOM 0 HE21 GLN A 63 -5.044 29.399 -33.032 1.00 73.21 H new ATOM 0 HE22 GLN A 63 -3.314 29.754 -33.005 1.00 73.21 H new ATOM 946 N THR A 64 -6.309 27.049 -32.719 1.00 42.13 N ATOM 947 CA THR A 64 -6.094 25.609 -32.787 1.00 42.31 C ATOM 948 C THR A 64 -5.230 25.127 -31.627 1.00 42.24 C ATOM 949 O THR A 64 -4.338 25.840 -31.166 1.00 44.21 O ATOM 950 CB THR A 64 -5.425 25.203 -34.114 1.00 52.00 C ATOM 951 OG1 THR A 64 -6.266 25.561 -35.216 1.00 74.12 O ATOM 952 CG2 THR A 64 -5.149 23.707 -34.145 1.00 41.41 C ATOM 0 H THR A 64 -5.663 27.599 -33.285 1.00 42.13 H new ATOM 0 HA THR A 64 -7.076 25.139 -32.725 1.00 42.31 H new ATOM 0 HB THR A 64 -4.476 25.733 -34.195 1.00 52.00 H new ATOM 0 HG1 THR A 64 -5.833 25.301 -36.056 1.00 74.12 H new ATOM 0 HG21 THR A 64 -4.677 23.444 -35.091 1.00 41.41 H new ATOM 0 HG22 THR A 64 -4.485 23.442 -33.322 1.00 41.41 H new ATOM 0 HG23 THR A 64 -6.087 23.162 -34.044 1.00 41.41 H new ATOM 960 N LEU A 65 -5.499 23.913 -31.160 1.00 40.22 N ATOM 961 CA LEU A 65 -4.745 23.335 -30.053 1.00 62.35 C ATOM 962 C LEU A 65 -4.414 21.871 -30.326 1.00 62.04 C ATOM 963 O LEU A 65 -5.256 21.111 -30.807 1.00 2.25 O ATOM 964 CB LEU A 65 -5.538 23.456 -28.751 1.00 73.23 C ATOM 965 CG LEU A 65 -5.793 24.878 -28.250 1.00 73.24 C ATOM 966 CD1 LEU A 65 -7.168 25.359 -28.687 1.00 34.13 C ATOM 967 CD2 LEU A 65 -5.660 24.942 -26.736 1.00 24.21 C ATOM 0 H LEU A 65 -6.233 23.310 -31.530 1.00 40.22 H new ATOM 0 HA LEU A 65 -3.811 23.888 -29.954 1.00 62.35 H new ATOM 0 HB2 LEU A 65 -6.500 22.962 -28.888 1.00 73.23 H new ATOM 0 HB3 LEU A 65 -5.006 22.908 -27.973 1.00 73.23 H new ATOM 0 HG LEU A 65 -5.044 25.537 -28.688 1.00 73.24 H new ATOM 0 HD11 LEU A 65 -7.332 26.373 -28.321 1.00 34.13 H new ATOM 0 HD12 LEU A 65 -7.227 25.352 -29.775 1.00 34.13 H new ATOM 0 HD13 LEU A 65 -7.932 24.698 -28.278 1.00 34.13 H new ATOM 0 HD21 LEU A 65 -5.845 25.961 -26.397 1.00 24.21 H new ATOM 0 HD22 LEU A 65 -6.386 24.270 -26.278 1.00 24.21 H new ATOM 0 HD23 LEU A 65 -4.654 24.640 -26.446 1.00 24.21 H new ATOM 979 N THR A 66 -3.182 21.480 -30.015 1.00 42.11 N ATOM 980 CA THR A 66 -2.739 20.107 -30.225 1.00 53.55 C ATOM 981 C THR A 66 -2.019 19.567 -28.995 1.00 54.22 C ATOM 982 O THR A 66 -0.976 20.086 -28.596 1.00 62.32 O ATOM 983 CB THR A 66 -1.802 20.000 -31.443 1.00 72.32 C ATOM 984 OG1 THR A 66 -1.548 21.302 -31.983 1.00 33.43 O ATOM 985 CG2 THR A 66 -2.410 19.110 -32.517 1.00 13.01 C ATOM 0 H THR A 66 -2.473 22.095 -29.617 1.00 42.11 H new ATOM 0 HA THR A 66 -3.633 19.511 -30.410 1.00 53.55 H new ATOM 0 HB THR A 66 -0.863 19.555 -31.113 1.00 72.32 H new ATOM 0 HG1 THR A 66 -0.950 21.225 -32.756 1.00 33.43 H new ATOM 0 HG21 THR A 66 -1.730 19.050 -33.367 1.00 13.01 H new ATOM 0 HG22 THR A 66 -2.574 18.111 -32.112 1.00 13.01 H new ATOM 0 HG23 THR A 66 -3.362 19.531 -32.842 1.00 13.01 H new ATOM 993 N LEU A 67 -2.582 18.523 -28.398 1.00 21.43 N ATOM 994 CA LEU A 67 -1.993 17.911 -27.212 1.00 24.42 C ATOM 995 C LEU A 67 -1.252 16.627 -27.572 1.00 70.14 C ATOM 996 O LEU A 67 -1.767 15.788 -28.312 1.00 63.42 O ATOM 997 CB LEU A 67 -3.077 17.613 -26.175 1.00 11.22 C ATOM 998 CG LEU A 67 -3.733 16.235 -26.266 1.00 53.13 C ATOM 999 CD1 LEU A 67 -2.907 15.200 -25.519 1.00 60.21 C ATOM 1000 CD2 LEU A 67 -5.153 16.283 -25.720 1.00 23.23 C ATOM 0 H LEU A 67 -3.445 18.082 -28.715 1.00 21.43 H new ATOM 0 HA LEU A 67 -1.277 18.616 -26.788 1.00 24.42 H new ATOM 0 HB2 LEU A 67 -2.641 17.721 -25.182 1.00 11.22 H new ATOM 0 HB3 LEU A 67 -3.856 18.370 -26.265 1.00 11.22 H new ATOM 0 HG LEU A 67 -3.779 15.944 -27.315 1.00 53.13 H new ATOM 0 HD11 LEU A 67 -3.390 14.226 -25.595 1.00 60.21 H new ATOM 0 HD12 LEU A 67 -1.910 15.146 -25.956 1.00 60.21 H new ATOM 0 HD13 LEU A 67 -2.829 15.485 -24.470 1.00 60.21 H new ATOM 0 HD21 LEU A 67 -5.604 15.294 -25.793 1.00 23.23 H new ATOM 0 HD22 LEU A 67 -5.131 16.596 -24.676 1.00 23.23 H new ATOM 0 HD23 LEU A 67 -5.742 16.994 -26.300 1.00 23.23 H new ATOM 1012 N HIS A 68 -0.042 16.479 -27.043 1.00 45.43 N ATOM 1013 CA HIS A 68 0.769 15.296 -27.307 1.00 62.02 C ATOM 1014 C HIS A 68 1.162 14.605 -26.005 1.00 2.22 C ATOM 1015 O HIS A 68 1.780 15.213 -25.130 1.00 52.10 O ATOM 1016 CB HIS A 68 2.023 15.676 -28.095 1.00 2.20 C ATOM 1017 CG HIS A 68 1.872 15.515 -29.576 1.00 54.43 C ATOM 1018 ND1 HIS A 68 2.419 14.463 -30.279 1.00 31.31 N ATOM 1019 CD2 HIS A 68 1.228 16.281 -30.489 1.00 21.44 C ATOM 1020 CE1 HIS A 68 2.120 14.588 -31.560 1.00 1.34 C ATOM 1021 NE2 HIS A 68 1.398 15.683 -31.713 1.00 54.24 N ATOM 0 H HIS A 68 0.399 17.164 -26.429 1.00 45.43 H new ATOM 0 HA HIS A 68 0.173 14.603 -27.900 1.00 62.02 H new ATOM 0 HB2 HIS A 68 2.280 16.712 -27.875 1.00 2.20 H new ATOM 0 HB3 HIS A 68 2.856 15.061 -27.754 1.00 2.20 H new ATOM 0 HD2 HIS A 68 0.683 17.192 -30.291 1.00 21.44 H new ATOM 0 HE1 HIS A 68 2.416 13.910 -32.347 1.00 1.34 H new ATOM 0 HE2 HIS A 68 1.027 16.029 -32.598 1.00 54.24 H new ATOM 1029 N TYR A 69 0.800 13.333 -25.883 1.00 12.22 N ATOM 1030 CA TYR A 69 1.112 12.561 -24.686 1.00 73.10 C ATOM 1031 C TYR A 69 1.521 11.136 -25.048 1.00 54.41 C ATOM 1032 O TYR A 69 0.725 10.371 -25.592 1.00 23.31 O ATOM 1033 CB TYR A 69 -0.092 12.534 -23.743 1.00 33.20 C ATOM 1034 CG TYR A 69 0.180 11.829 -22.433 1.00 42.23 C ATOM 1035 CD1 TYR A 69 1.394 11.987 -21.776 1.00 13.53 C ATOM 1036 CD2 TYR A 69 -0.777 11.006 -21.853 1.00 22.41 C ATOM 1037 CE1 TYR A 69 1.647 11.345 -20.579 1.00 60.03 C ATOM 1038 CE2 TYR A 69 -0.533 10.360 -20.656 1.00 3.30 C ATOM 1039 CZ TYR A 69 0.681 10.533 -20.023 1.00 72.34 C ATOM 1040 OH TYR A 69 0.929 9.892 -18.831 1.00 53.11 O ATOM 0 H TYR A 69 0.290 12.814 -26.598 1.00 12.22 H new ATOM 0 HA TYR A 69 1.949 13.043 -24.182 1.00 73.10 H new ATOM 0 HB2 TYR A 69 -0.404 13.558 -23.537 1.00 33.20 H new ATOM 0 HB3 TYR A 69 -0.925 12.041 -24.245 1.00 33.20 H new ATOM 0 HD1 TYR A 69 2.153 12.622 -22.208 1.00 13.53 H new ATOM 0 HD2 TYR A 69 -1.728 10.869 -22.346 1.00 22.41 H new ATOM 0 HE1 TYR A 69 2.596 11.478 -20.081 1.00 60.03 H new ATOM 0 HE2 TYR A 69 -1.288 9.724 -20.218 1.00 3.30 H new ATOM 0 HH TYR A 69 0.146 9.360 -18.577 1.00 53.11 H new ATOM 1050 N GLN A 70 2.766 10.789 -24.741 1.00 43.33 N ATOM 1051 CA GLN A 70 3.282 9.457 -25.034 1.00 53.10 C ATOM 1052 C GLN A 70 3.302 9.199 -26.537 1.00 52.31 C ATOM 1053 O GLN A 70 4.308 9.436 -27.204 1.00 71.02 O ATOM 1054 CB GLN A 70 2.434 8.394 -24.334 1.00 32.14 C ATOM 1055 CG GLN A 70 2.995 7.957 -22.990 1.00 74.50 C ATOM 1056 CD GLN A 70 4.077 6.904 -23.124 1.00 62.13 C ATOM 1057 OE1 GLN A 70 4.008 6.032 -23.991 1.00 55.11 O ATOM 1058 NE2 GLN A 70 5.087 6.980 -22.265 1.00 33.42 N ATOM 0 H GLN A 70 3.436 11.411 -24.290 1.00 43.33 H new ATOM 0 HA GLN A 70 4.305 9.401 -24.661 1.00 53.10 H new ATOM 0 HB2 GLN A 70 1.426 8.783 -24.189 1.00 32.14 H new ATOM 0 HB3 GLN A 70 2.349 7.523 -24.984 1.00 32.14 H new ATOM 0 HG2 GLN A 70 3.401 8.825 -22.470 1.00 74.50 H new ATOM 0 HG3 GLN A 70 2.186 7.565 -22.373 1.00 74.50 H new ATOM 0 HE21 GLN A 70 5.104 7.719 -21.562 1.00 33.42 H new ATOM 0 HE22 GLN A 70 5.845 6.299 -22.308 1.00 33.42 H new ATOM 1067 N GLY A 71 2.183 8.712 -27.064 1.00 55.02 N ATOM 1068 CA GLY A 71 2.093 8.430 -28.485 1.00 23.41 C ATOM 1069 C GLY A 71 0.751 8.820 -29.070 1.00 74.13 C ATOM 1070 O GLY A 71 0.473 8.551 -30.240 1.00 2.23 O ATOM 0 H GLY A 71 1.337 8.508 -26.532 1.00 55.02 H new ATOM 0 HA2 GLY A 71 2.884 8.966 -29.009 1.00 23.41 H new ATOM 0 HA3 GLY A 71 2.264 7.367 -28.653 1.00 23.41 H new ATOM 1074 N HIS A 72 -0.087 9.455 -28.256 1.00 25.52 N ATOM 1075 CA HIS A 72 -1.409 9.882 -28.700 1.00 23.43 C ATOM 1076 C HIS A 72 -1.460 11.396 -28.874 1.00 52.51 C ATOM 1077 O HIS A 72 -0.937 12.143 -28.048 1.00 0.22 O ATOM 1078 CB HIS A 72 -2.475 9.435 -27.699 1.00 2.22 C ATOM 1079 CG HIS A 72 -3.469 8.473 -28.272 1.00 53.22 C ATOM 1080 ND1 HIS A 72 -3.156 7.170 -28.594 1.00 61.45 N ATOM 1081 CD2 HIS A 72 -4.778 8.631 -28.579 1.00 71.13 C ATOM 1082 CE1 HIS A 72 -4.228 6.568 -29.077 1.00 35.44 C ATOM 1083 NE2 HIS A 72 -5.227 7.433 -29.078 1.00 23.55 N ATOM 0 H HIS A 72 0.126 9.685 -27.285 1.00 25.52 H new ATOM 0 HA HIS A 72 -1.610 9.416 -29.665 1.00 23.43 H new ATOM 0 HB2 HIS A 72 -1.986 8.972 -26.842 1.00 2.22 H new ATOM 0 HB3 HIS A 72 -3.004 10.313 -27.328 1.00 2.22 H new ATOM 0 HD2 HIS A 72 -5.361 9.532 -28.455 1.00 71.13 H new ATOM 0 HE1 HIS A 72 -4.279 5.543 -29.414 1.00 35.44 H new ATOM 0 HE2 HIS A 72 -6.177 7.242 -29.397 1.00 23.55 H new ATOM 1091 N GLU A 73 -2.093 11.842 -29.955 1.00 35.13 N ATOM 1092 CA GLU A 73 -2.211 13.268 -30.237 1.00 70.40 C ATOM 1093 C GLU A 73 -3.661 13.649 -30.519 1.00 75.44 C ATOM 1094 O GLU A 73 -4.366 12.955 -31.253 1.00 62.11 O ATOM 1095 CB GLU A 73 -1.331 13.648 -31.429 1.00 41.34 C ATOM 1096 CG GLU A 73 -1.741 12.975 -32.728 1.00 53.23 C ATOM 1097 CD GLU A 73 -0.600 12.218 -33.379 1.00 42.53 C ATOM 1098 OE1 GLU A 73 0.213 11.623 -32.642 1.00 22.24 O ATOM 1099 OE2 GLU A 73 -0.519 12.222 -34.625 1.00 50.03 O ATOM 0 H GLU A 73 -2.532 11.237 -30.649 1.00 35.13 H new ATOM 0 HA GLU A 73 -1.875 13.816 -29.357 1.00 70.40 H new ATOM 0 HB2 GLU A 73 -1.364 14.729 -31.564 1.00 41.34 H new ATOM 0 HB3 GLU A 73 -0.297 13.386 -31.205 1.00 41.34 H new ATOM 0 HG2 GLU A 73 -2.563 12.287 -32.532 1.00 53.23 H new ATOM 0 HG3 GLU A 73 -2.114 13.729 -33.421 1.00 53.23 H new ATOM 1106 N VAL A 74 -4.102 14.756 -29.931 1.00 4.22 N ATOM 1107 CA VAL A 74 -5.467 15.231 -30.119 1.00 34.25 C ATOM 1108 C VAL A 74 -5.485 16.674 -30.608 1.00 51.42 C ATOM 1109 O VAL A 74 -4.575 17.450 -30.318 1.00 3.41 O ATOM 1110 CB VAL A 74 -6.280 15.133 -28.814 1.00 20.23 C ATOM 1111 CG1 VAL A 74 -7.756 15.381 -29.084 1.00 11.31 C ATOM 1112 CG2 VAL A 74 -6.071 13.777 -28.157 1.00 23.22 C ATOM 0 H VAL A 74 -3.533 15.341 -29.320 1.00 4.22 H new ATOM 0 HA VAL A 74 -5.924 14.590 -30.873 1.00 34.25 H new ATOM 0 HB VAL A 74 -5.926 15.903 -28.128 1.00 20.23 H new ATOM 0 HG11 VAL A 74 -8.314 15.308 -28.151 1.00 11.31 H new ATOM 0 HG12 VAL A 74 -7.886 16.377 -29.507 1.00 11.31 H new ATOM 0 HG13 VAL A 74 -8.127 14.636 -29.788 1.00 11.31 H new ATOM 0 HG21 VAL A 74 -6.653 13.725 -27.237 1.00 23.22 H new ATOM 0 HG22 VAL A 74 -6.396 12.989 -28.837 1.00 23.22 H new ATOM 0 HG23 VAL A 74 -5.014 13.643 -27.926 1.00 23.22 H new ATOM 1122 N SER A 75 -6.528 17.028 -31.352 1.00 40.34 N ATOM 1123 CA SER A 75 -6.663 18.379 -31.886 1.00 33.32 C ATOM 1124 C SER A 75 -8.053 18.939 -31.600 1.00 12.01 C ATOM 1125 O SER A 75 -9.060 18.253 -31.776 1.00 31.44 O ATOM 1126 CB SER A 75 -6.399 18.383 -33.393 1.00 12.42 C ATOM 1127 OG SER A 75 -7.276 19.273 -34.061 1.00 52.25 O ATOM 0 H SER A 75 -7.292 16.399 -31.599 1.00 40.34 H new ATOM 0 HA SER A 75 -5.926 19.014 -31.394 1.00 33.32 H new ATOM 0 HB2 SER A 75 -5.366 18.674 -33.584 1.00 12.42 H new ATOM 0 HB3 SER A 75 -6.525 17.376 -33.790 1.00 12.42 H new ATOM 0 HG SER A 75 -7.087 19.259 -35.022 1.00 52.25 H new ATOM 1133 N PHE A 76 -8.100 20.191 -31.158 1.00 0.41 N ATOM 1134 CA PHE A 76 -9.366 20.845 -30.846 1.00 44.31 C ATOM 1135 C PHE A 76 -9.269 22.352 -31.071 1.00 33.53 C ATOM 1136 O PHE A 76 -8.188 22.885 -31.320 1.00 11.02 O ATOM 1137 CB PHE A 76 -9.769 20.559 -29.398 1.00 62.11 C ATOM 1138 CG PHE A 76 -8.612 20.183 -28.517 1.00 70.30 C ATOM 1139 CD1 PHE A 76 -7.886 21.157 -27.851 1.00 64.23 C ATOM 1140 CD2 PHE A 76 -8.251 18.855 -28.355 1.00 22.11 C ATOM 1141 CE1 PHE A 76 -6.821 20.814 -27.039 1.00 42.14 C ATOM 1142 CE2 PHE A 76 -7.187 18.506 -27.544 1.00 13.10 C ATOM 1143 CZ PHE A 76 -6.471 19.487 -26.886 1.00 64.15 C ATOM 0 H PHE A 76 -7.276 20.773 -31.008 1.00 0.41 H new ATOM 0 HA PHE A 76 -10.128 20.444 -31.514 1.00 44.31 H new ATOM 0 HB2 PHE A 76 -10.259 21.441 -28.985 1.00 62.11 H new ATOM 0 HB3 PHE A 76 -10.502 19.752 -29.386 1.00 62.11 H new ATOM 0 HD1 PHE A 76 -8.155 22.196 -27.968 1.00 64.23 H new ATOM 0 HD2 PHE A 76 -8.807 18.084 -28.868 1.00 22.11 H new ATOM 0 HE1 PHE A 76 -6.263 21.583 -26.525 1.00 42.14 H new ATOM 0 HE2 PHE A 76 -6.916 17.467 -27.425 1.00 13.10 H new ATOM 0 HZ PHE A 76 -5.639 19.217 -26.253 1.00 64.15 H new ATOM 1153 N ASP A 77 -10.407 23.031 -30.981 1.00 75.32 N ATOM 1154 CA ASP A 77 -10.453 24.475 -31.174 1.00 1.51 C ATOM 1155 C ASP A 77 -10.930 25.178 -29.907 1.00 31.04 C ATOM 1156 O ASP A 77 -11.707 24.621 -29.131 1.00 13.52 O ATOM 1157 CB ASP A 77 -11.373 24.827 -32.344 1.00 32.31 C ATOM 1158 CG ASP A 77 -12.631 23.981 -32.365 1.00 14.31 C ATOM 1159 OD1 ASP A 77 -13.512 24.206 -31.508 1.00 23.44 O ATOM 1160 OD2 ASP A 77 -12.736 23.096 -33.239 1.00 73.00 O ATOM 0 H ASP A 77 -11.310 22.604 -30.775 1.00 75.32 H new ATOM 0 HA ASP A 77 -9.443 24.818 -31.400 1.00 1.51 H new ATOM 0 HB2 ASP A 77 -11.648 25.880 -32.283 1.00 32.31 H new ATOM 0 HB3 ASP A 77 -10.832 24.693 -33.281 1.00 32.31 H new ATOM 1165 N VAL A 78 -10.459 26.404 -29.702 1.00 65.13 N ATOM 1166 CA VAL A 78 -10.837 27.183 -28.529 1.00 62.13 C ATOM 1167 C VAL A 78 -11.547 28.471 -28.930 1.00 74.45 C ATOM 1168 O VAL A 78 -11.146 29.144 -29.881 1.00 33.04 O ATOM 1169 CB VAL A 78 -9.609 27.534 -27.669 1.00 25.03 C ATOM 1170 CG1 VAL A 78 -8.682 28.478 -28.420 1.00 71.11 C ATOM 1171 CG2 VAL A 78 -10.043 28.143 -26.344 1.00 70.40 C ATOM 0 H VAL A 78 -9.814 26.879 -30.334 1.00 65.13 H new ATOM 0 HA VAL A 78 -11.517 26.564 -27.944 1.00 62.13 H new ATOM 0 HB VAL A 78 -9.061 26.616 -27.459 1.00 25.03 H new ATOM 0 HG11 VAL A 78 -7.820 28.714 -27.796 1.00 71.11 H new ATOM 0 HG12 VAL A 78 -8.344 28.001 -29.340 1.00 71.11 H new ATOM 0 HG13 VAL A 78 -9.217 29.396 -28.663 1.00 71.11 H new ATOM 0 HG21 VAL A 78 -9.162 28.385 -25.749 1.00 70.40 H new ATOM 0 HG22 VAL A 78 -10.615 29.052 -26.531 1.00 70.40 H new ATOM 0 HG23 VAL A 78 -10.663 27.429 -25.801 1.00 70.40 H new ATOM 1181 N LEU A 79 -12.605 28.808 -28.201 1.00 3.25 N ATOM 1182 CA LEU A 79 -13.373 30.017 -28.479 1.00 65.14 C ATOM 1183 C LEU A 79 -13.752 30.731 -27.186 1.00 41.43 C ATOM 1184 O LEU A 79 -14.270 30.117 -26.254 1.00 23.33 O ATOM 1185 CB LEU A 79 -14.633 29.672 -29.274 1.00 35.24 C ATOM 1186 CG LEU A 79 -14.412 29.182 -30.705 1.00 20.30 C ATOM 1187 CD1 LEU A 79 -15.079 27.831 -30.916 1.00 2.20 C ATOM 1188 CD2 LEU A 79 -14.939 30.201 -31.705 1.00 64.41 C ATOM 0 H LEU A 79 -12.951 28.261 -27.413 1.00 3.25 H new ATOM 0 HA LEU A 79 -12.749 30.686 -29.071 1.00 65.14 H new ATOM 0 HB2 LEU A 79 -15.183 28.904 -28.730 1.00 35.24 H new ATOM 0 HB3 LEU A 79 -15.270 30.556 -29.309 1.00 35.24 H new ATOM 0 HG LEU A 79 -13.341 29.064 -30.867 1.00 20.30 H new ATOM 0 HD11 LEU A 79 -14.911 27.498 -31.940 1.00 2.20 H new ATOM 0 HD12 LEU A 79 -14.655 27.104 -30.224 1.00 2.20 H new ATOM 0 HD13 LEU A 79 -16.150 27.922 -30.735 1.00 2.20 H new ATOM 0 HD21 LEU A 79 -14.773 29.836 -32.718 1.00 64.41 H new ATOM 0 HD22 LEU A 79 -16.006 30.351 -31.543 1.00 64.41 H new ATOM 0 HD23 LEU A 79 -14.415 31.147 -31.570 1.00 64.41 H new ATOM 1200 N VAL A 80 -13.493 32.034 -27.138 1.00 44.31 N ATOM 1201 CA VAL A 80 -13.810 32.834 -25.961 1.00 22.11 C ATOM 1202 C VAL A 80 -15.079 33.651 -26.177 1.00 62.30 C ATOM 1203 O VAL A 80 -15.271 34.251 -27.235 1.00 24.53 O ATOM 1204 CB VAL A 80 -12.654 33.787 -25.601 1.00 71.45 C ATOM 1205 CG1 VAL A 80 -12.511 34.874 -26.655 1.00 50.13 C ATOM 1206 CG2 VAL A 80 -12.873 34.393 -24.224 1.00 12.32 C ATOM 0 H VAL A 80 -13.064 32.558 -27.901 1.00 44.31 H new ATOM 0 HA VAL A 80 -13.966 32.137 -25.138 1.00 22.11 H new ATOM 0 HB VAL A 80 -11.727 33.214 -25.577 1.00 71.45 H new ATOM 0 HG11 VAL A 80 -11.690 35.538 -26.384 1.00 50.13 H new ATOM 0 HG12 VAL A 80 -12.304 34.417 -27.623 1.00 50.13 H new ATOM 0 HG13 VAL A 80 -13.436 35.447 -26.714 1.00 50.13 H new ATOM 0 HG21 VAL A 80 -12.047 35.063 -23.986 1.00 12.32 H new ATOM 0 HG22 VAL A 80 -13.808 34.953 -24.217 1.00 12.32 H new ATOM 0 HG23 VAL A 80 -12.921 33.598 -23.480 1.00 12.32 H new ATOM 1216 N SER A 81 -15.943 33.670 -25.167 1.00 62.11 N ATOM 1217 CA SER A 81 -17.196 34.411 -25.247 1.00 72.25 C ATOM 1218 C SER A 81 -17.129 35.684 -24.409 1.00 74.22 C ATOM 1219 O SER A 81 -16.313 35.815 -23.497 1.00 31.10 O ATOM 1220 CB SER A 81 -18.361 33.537 -24.777 1.00 4.22 C ATOM 1221 OG SER A 81 -19.161 33.122 -25.870 1.00 20.10 O ATOM 0 H SER A 81 -15.798 33.181 -24.284 1.00 62.11 H new ATOM 0 HA SER A 81 -17.358 34.691 -26.288 1.00 72.25 H new ATOM 0 HB2 SER A 81 -17.975 32.663 -24.252 1.00 4.22 H new ATOM 0 HB3 SER A 81 -18.972 34.092 -24.065 1.00 4.22 H new ATOM 0 HG SER A 81 -19.897 32.564 -25.543 1.00 20.10 H new ATOM 1227 N PRO A 82 -18.009 36.646 -24.725 1.00 31.10 N ATOM 1228 CA PRO A 82 -18.071 37.926 -24.013 1.00 54.04 C ATOM 1229 C PRO A 82 -18.600 37.774 -22.591 1.00 62.42 C ATOM 1230 O PRO A 82 -19.801 37.607 -22.378 1.00 41.03 O ATOM 1231 CB PRO A 82 -19.042 38.755 -24.859 1.00 31.35 C ATOM 1232 CG PRO A 82 -19.895 37.749 -25.552 1.00 23.23 C ATOM 1233 CD PRO A 82 -19.011 36.558 -25.801 1.00 21.15 C ATOM 0 HA PRO A 82 -17.086 38.379 -23.902 1.00 54.04 H new ATOM 0 HB2 PRO A 82 -19.641 39.420 -24.237 1.00 31.35 H new ATOM 0 HB3 PRO A 82 -18.509 39.382 -25.574 1.00 31.35 H new ATOM 0 HG2 PRO A 82 -20.754 37.476 -24.938 1.00 23.23 H new ATOM 0 HG3 PRO A 82 -20.286 38.147 -26.488 1.00 23.23 H new ATOM 0 HD2 PRO A 82 -19.572 35.624 -25.753 1.00 21.15 H new ATOM 0 HD3 PRO A 82 -18.547 36.601 -26.786 1.00 21.15 H new