USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 652 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 16 LYS NZ :NH3+ -153:sc= 0.972 (180deg=0) USER MOD Set 1.2: A 18 TYR OH : rot 180:sc= 0.897 USER MOD Single : A 1 SER N :NH3+ -140:sc= 0.376 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.173 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -6.13! C(o=-6.1!,f=-6.2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.15 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= 0.0685 USER MOD Single : A 37 ASN : amide:sc=-0.00109 K(o=-0.0011,f=0.63) USER MOD Single : A 39 THR OG1 : rot -160:sc= -0.498 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-3.3!) USER MOD Single : A 44 SER OG : rot -13:sc= -0.115! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 165:sc= -3 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -150:sc= -1.08 USER MOD Single : A 63 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.4) 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= -0.552 K(o=-0.55,f=-1.3) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.02) 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 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.171 K(o=-0.17,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.073 -1.573 -2.056 1.00 31.43 N ATOM 2 CA SER A 1 3.791 -1.015 -3.195 1.00 5.52 C ATOM 3 C SER A 1 3.171 0.309 -3.632 1.00 62.13 C ATOM 4 O SER A 1 2.022 0.620 -3.317 1.00 62.42 O ATOM 5 CB SER A 1 3.787 -2.003 -4.362 1.00 64.33 C ATOM 6 OG SER A 1 2.732 -2.940 -4.233 1.00 61.23 O ATOM 0 H1 SER A 1 3.753 -1.984 -1.385 1.00 31.43 H new ATOM 0 H2 SER A 1 2.532 -0.820 -1.584 1.00 31.43 H new ATOM 0 H3 SER A 1 2.421 -2.313 -2.385 1.00 31.43 H new ATOM 0 HA SER A 1 4.821 -0.831 -2.889 1.00 5.52 H new ATOM 0 HB2 SER A 1 3.683 -1.460 -5.302 1.00 64.33 H new ATOM 0 HB3 SER A 1 4.741 -2.528 -4.401 1.00 64.33 H new ATOM 0 HG SER A 1 2.750 -3.559 -4.992 1.00 61.23 H new ATOM 12 N PRO A 2 3.949 1.109 -4.377 1.00 23.34 N ATOM 13 CA PRO A 2 3.498 2.412 -4.874 1.00 64.45 C ATOM 14 C PRO A 2 2.430 2.281 -5.955 1.00 3.40 C ATOM 15 O PRO A 2 2.439 1.333 -6.740 1.00 42.45 O ATOM 16 CB PRO A 2 4.773 3.030 -5.454 1.00 51.22 C ATOM 17 CG PRO A 2 5.632 1.866 -5.809 1.00 74.21 C ATOM 18 CD PRO A 2 5.329 0.802 -4.790 1.00 50.21 C ATOM 0 HA PRO A 2 3.036 3.011 -4.089 1.00 64.45 H new ATOM 0 HB2 PRO A 2 4.554 3.641 -6.329 1.00 51.22 H new ATOM 0 HB3 PRO A 2 5.264 3.678 -4.728 1.00 51.22 H new ATOM 0 HG2 PRO A 2 5.415 1.514 -6.817 1.00 74.21 H new ATOM 0 HG3 PRO A 2 6.687 2.138 -5.787 1.00 74.21 H new ATOM 0 HD2 PRO A 2 5.408 -0.198 -5.217 1.00 50.21 H new ATOM 0 HD3 PRO A 2 6.019 0.844 -3.948 1.00 50.21 H new ATOM 26 N LYS A 3 1.511 3.240 -5.990 1.00 32.20 N ATOM 27 CA LYS A 3 0.436 3.234 -6.975 1.00 40.13 C ATOM 28 C LYS A 3 0.813 4.066 -8.197 1.00 2.44 C ATOM 29 O LYS A 3 0.898 5.293 -8.124 1.00 32.14 O ATOM 30 CB LYS A 3 -0.855 3.774 -6.356 1.00 3.44 C ATOM 31 CG LYS A 3 -1.966 4.000 -7.366 1.00 13.22 C ATOM 32 CD LYS A 3 -3.337 3.826 -6.734 1.00 54.44 C ATOM 33 CE LYS A 3 -3.955 5.166 -6.365 1.00 3.53 C ATOM 34 NZ LYS A 3 -3.913 5.410 -4.896 1.00 51.12 N ATOM 0 H LYS A 3 1.489 4.032 -5.347 1.00 32.20 H new ATOM 0 HA LYS A 3 0.275 2.204 -7.294 1.00 40.13 H new ATOM 0 HB2 LYS A 3 -1.203 3.075 -5.596 1.00 3.44 H new ATOM 0 HB3 LYS A 3 -0.639 4.715 -5.849 1.00 3.44 H new ATOM 0 HG2 LYS A 3 -1.881 5.003 -7.783 1.00 13.22 H new ATOM 0 HG3 LYS A 3 -1.854 3.300 -8.194 1.00 13.22 H new ATOM 0 HD2 LYS A 3 -3.994 3.300 -7.427 1.00 54.44 H new ATOM 0 HD3 LYS A 3 -3.251 3.206 -5.842 1.00 54.44 H new ATOM 0 HE2 LYS A 3 -3.424 5.966 -6.881 1.00 3.53 H new ATOM 0 HE3 LYS A 3 -4.989 5.196 -6.709 1.00 3.53 H new ATOM 0 HZ1 LYS A 3 -4.343 6.333 -4.685 1.00 51.12 H new ATOM 0 HZ2 LYS A 3 -4.441 4.661 -4.404 1.00 51.12 H new ATOM 0 HZ3 LYS A 3 -2.925 5.407 -4.572 1.00 51.12 H new ATOM 48 N THR A 4 1.038 3.392 -9.320 1.00 51.33 N ATOM 49 CA THR A 4 1.406 4.069 -10.557 1.00 55.54 C ATOM 50 C THR A 4 0.422 3.744 -11.676 1.00 11.15 C ATOM 51 O THR A 4 -0.383 2.820 -11.557 1.00 71.11 O ATOM 52 CB THR A 4 2.826 3.681 -11.010 1.00 10.44 C ATOM 53 OG1 THR A 4 3.450 2.862 -10.015 1.00 1.12 O ATOM 54 CG2 THR A 4 3.673 4.921 -11.257 1.00 74.22 C ATOM 0 H THR A 4 0.972 2.377 -9.398 1.00 51.33 H new ATOM 0 HA THR A 4 1.378 5.139 -10.351 1.00 55.54 H new ATOM 0 HB THR A 4 2.747 3.123 -11.943 1.00 10.44 H new ATOM 0 HG1 THR A 4 4.352 2.618 -10.311 1.00 1.12 H new ATOM 0 HG21 THR A 4 4.671 4.622 -11.576 1.00 74.22 H new ATOM 0 HG22 THR A 4 3.210 5.529 -12.035 1.00 74.22 H new ATOM 0 HG23 THR A 4 3.745 5.502 -10.337 1.00 74.22 H new ATOM 62 N ILE A 5 0.493 4.508 -12.760 1.00 55.32 N ATOM 63 CA ILE A 5 -0.391 4.299 -13.900 1.00 53.13 C ATOM 64 C ILE A 5 -0.019 3.029 -14.659 1.00 12.44 C ATOM 65 O ILE A 5 0.945 2.345 -14.311 1.00 55.52 O ATOM 66 CB ILE A 5 -0.350 5.494 -14.871 1.00 73.01 C ATOM 67 CG1 ILE A 5 0.852 5.376 -15.810 1.00 23.34 C ATOM 68 CG2 ILE A 5 -0.299 6.803 -14.098 1.00 2.13 C ATOM 69 CD1 ILE A 5 2.172 5.232 -15.085 1.00 23.50 C ATOM 0 H ILE A 5 1.153 5.277 -12.873 1.00 55.32 H new ATOM 0 HA ILE A 5 -1.401 4.199 -13.502 1.00 53.13 H new ATOM 0 HB ILE A 5 -1.259 5.485 -15.473 1.00 73.01 H new ATOM 0 HG12 ILE A 5 0.710 4.515 -16.463 1.00 23.34 H new ATOM 0 HG13 ILE A 5 0.892 6.258 -16.449 1.00 23.34 H new ATOM 0 HG21 ILE A 5 -0.270 7.638 -14.798 1.00 2.13 H new ATOM 0 HG22 ILE A 5 -1.184 6.888 -13.468 1.00 2.13 H new ATOM 0 HG23 ILE A 5 0.594 6.822 -13.474 1.00 2.13 H new ATOM 0 HD11 ILE A 5 2.980 5.153 -15.812 1.00 23.50 H new ATOM 0 HD12 ILE A 5 2.337 6.104 -14.452 1.00 23.50 H new ATOM 0 HD13 ILE A 5 2.152 4.334 -14.467 1.00 23.50 H new ATOM 81 N LEU A 6 -0.788 2.721 -15.697 1.00 30.51 N ATOM 82 CA LEU A 6 -0.539 1.533 -16.507 1.00 44.32 C ATOM 83 C LEU A 6 -1.341 1.580 -17.804 1.00 11.45 C ATOM 84 O LEU A 6 -0.802 1.360 -18.887 1.00 74.14 O ATOM 85 CB LEU A 6 -0.893 0.271 -15.720 1.00 34.31 C ATOM 86 CG LEU A 6 -0.295 -1.036 -16.242 1.00 5.04 C ATOM 87 CD1 LEU A 6 1.186 -1.116 -15.905 1.00 64.32 C ATOM 88 CD2 LEU A 6 -1.040 -2.231 -15.666 1.00 23.41 C ATOM 0 H LEU A 6 -1.589 3.277 -15.998 1.00 30.51 H new ATOM 0 HA LEU A 6 0.521 1.511 -16.758 1.00 44.32 H new ATOM 0 HB2 LEU A 6 -0.570 0.408 -14.688 1.00 34.31 H new ATOM 0 HB3 LEU A 6 -1.978 0.170 -15.704 1.00 34.31 H new ATOM 0 HG LEU A 6 -0.402 -1.055 -17.327 1.00 5.04 H new ATOM 0 HD11 LEU A 6 1.595 -2.052 -16.284 1.00 64.32 H new ATOM 0 HD12 LEU A 6 1.710 -0.278 -16.366 1.00 64.32 H new ATOM 0 HD13 LEU A 6 1.316 -1.075 -14.824 1.00 64.32 H new ATOM 0 HD21 LEU A 6 -0.601 -3.152 -16.048 1.00 23.41 H new ATOM 0 HD22 LEU A 6 -0.965 -2.217 -14.579 1.00 23.41 H new ATOM 0 HD23 LEU A 6 -2.089 -2.181 -15.958 1.00 23.41 H new ATOM 100 N GLY A 7 -2.633 1.871 -17.684 1.00 0.52 N ATOM 101 CA GLY A 7 -3.488 1.945 -18.854 1.00 34.52 C ATOM 102 C GLY A 7 -3.783 3.372 -19.268 1.00 54.41 C ATOM 103 O GLY A 7 -3.585 4.305 -18.489 1.00 44.23 O ATOM 0 H GLY A 7 -3.102 2.057 -16.798 1.00 0.52 H new ATOM 0 HA2 GLY A 7 -3.011 1.421 -19.682 1.00 34.52 H new ATOM 0 HA3 GLY A 7 -4.426 1.429 -18.648 1.00 34.52 H new ATOM 107 N ILE A 8 -4.257 3.544 -20.498 1.00 0.24 N ATOM 108 CA ILE A 8 -4.579 4.869 -21.014 1.00 22.14 C ATOM 109 C ILE A 8 -5.860 4.840 -21.841 1.00 5.42 C ATOM 110 O ILE A 8 -6.033 3.980 -22.703 1.00 53.34 O ATOM 111 CB ILE A 8 -3.435 5.429 -21.879 1.00 4.32 C ATOM 112 CG1 ILE A 8 -3.816 6.800 -22.442 1.00 71.33 C ATOM 113 CG2 ILE A 8 -3.099 4.462 -23.005 1.00 13.35 C ATOM 114 CD1 ILE A 8 -2.739 7.419 -23.305 1.00 52.40 C ATOM 0 H ILE A 8 -4.426 2.783 -21.155 1.00 0.24 H new ATOM 0 HA ILE A 8 -4.722 5.518 -20.150 1.00 22.14 H new ATOM 0 HB ILE A 8 -2.551 5.547 -21.253 1.00 4.32 H new ATOM 0 HG12 ILE A 8 -4.729 6.702 -23.029 1.00 71.33 H new ATOM 0 HG13 ILE A 8 -4.040 7.474 -21.615 1.00 71.33 H new ATOM 0 HG21 ILE A 8 -2.289 4.872 -23.607 1.00 13.35 H new ATOM 0 HG22 ILE A 8 -2.789 3.506 -22.583 1.00 13.35 H new ATOM 0 HG23 ILE A 8 -3.978 4.314 -23.632 1.00 13.35 H new ATOM 0 HD11 ILE A 8 -3.078 8.389 -23.670 1.00 52.40 H new ATOM 0 HD12 ILE A 8 -1.831 7.550 -22.716 1.00 52.40 H new ATOM 0 HD13 ILE A 8 -2.531 6.765 -24.152 1.00 52.40 H new ATOM 126 N GLU A 9 -6.752 5.788 -21.572 1.00 74.01 N ATOM 127 CA GLU A 9 -8.017 5.871 -22.293 1.00 11.50 C ATOM 128 C GLU A 9 -8.389 7.325 -22.572 1.00 74.21 C ATOM 129 O GLU A 9 -8.450 8.148 -21.659 1.00 42.30 O ATOM 130 CB GLU A 9 -9.131 5.193 -21.493 1.00 72.34 C ATOM 131 CG GLU A 9 -9.456 3.788 -21.974 1.00 14.41 C ATOM 132 CD GLU A 9 -10.302 3.784 -23.232 1.00 73.34 C ATOM 133 OE1 GLU A 9 -11.178 4.664 -23.361 1.00 14.52 O ATOM 134 OE2 GLU A 9 -10.089 2.900 -24.088 1.00 63.12 O ATOM 0 H GLU A 9 -6.623 6.508 -20.861 1.00 74.01 H new ATOM 0 HA GLU A 9 -7.898 5.355 -23.245 1.00 11.50 H new ATOM 0 HB2 GLU A 9 -8.839 5.151 -20.444 1.00 72.34 H new ATOM 0 HB3 GLU A 9 -10.031 5.805 -21.549 1.00 72.34 H new ATOM 0 HG2 GLU A 9 -8.528 3.249 -22.163 1.00 14.41 H new ATOM 0 HG3 GLU A 9 -9.982 3.250 -21.185 1.00 14.41 H new ATOM 141 N VAL A 10 -8.638 7.633 -23.841 1.00 63.32 N ATOM 142 CA VAL A 10 -9.005 8.986 -24.242 1.00 25.31 C ATOM 143 C VAL A 10 -10.477 9.262 -23.961 1.00 33.11 C ATOM 144 O VAL A 10 -11.356 8.546 -24.441 1.00 52.30 O ATOM 145 CB VAL A 10 -8.725 9.223 -25.738 1.00 14.11 C ATOM 146 CG1 VAL A 10 -9.441 8.183 -26.586 1.00 40.14 C ATOM 147 CG2 VAL A 10 -9.142 10.630 -26.140 1.00 62.25 C ATOM 0 H VAL A 10 -8.592 6.964 -24.609 1.00 63.32 H new ATOM 0 HA VAL A 10 -8.392 9.668 -23.653 1.00 25.31 H new ATOM 0 HB VAL A 10 -7.654 9.122 -25.911 1.00 14.11 H new ATOM 0 HG11 VAL A 10 -9.232 8.366 -27.640 1.00 40.14 H new ATOM 0 HG12 VAL A 10 -9.090 7.188 -26.314 1.00 40.14 H new ATOM 0 HG13 VAL A 10 -10.515 8.249 -26.413 1.00 40.14 H new ATOM 0 HG21 VAL A 10 -8.937 10.781 -27.200 1.00 62.25 H new ATOM 0 HG22 VAL A 10 -10.208 10.761 -25.954 1.00 62.25 H new ATOM 0 HG23 VAL A 10 -8.580 11.357 -25.555 1.00 62.25 H new ATOM 157 N SER A 11 -10.740 10.305 -23.180 1.00 4.00 N ATOM 158 CA SER A 11 -12.107 10.675 -22.832 1.00 25.43 C ATOM 159 C SER A 11 -12.295 12.187 -22.901 1.00 2.01 C ATOM 160 O SER A 11 -13.213 12.737 -22.293 1.00 61.42 O ATOM 161 CB SER A 11 -12.452 10.170 -21.429 1.00 73.25 C ATOM 162 OG SER A 11 -12.818 8.801 -21.456 1.00 55.11 O ATOM 0 H SER A 11 -10.024 10.909 -22.776 1.00 4.00 H new ATOM 0 HA SER A 11 -12.778 10.210 -23.554 1.00 25.43 H new ATOM 0 HB2 SER A 11 -11.596 10.308 -20.769 1.00 73.25 H new ATOM 0 HB3 SER A 11 -13.270 10.761 -21.017 1.00 73.25 H new ATOM 0 HG SER A 11 -13.032 8.502 -20.548 1.00 55.11 H new ATOM 168 N GLN A 12 -11.418 12.853 -23.646 1.00 31.42 N ATOM 169 CA GLN A 12 -11.487 14.302 -23.794 1.00 62.51 C ATOM 170 C GLN A 12 -12.318 14.685 -25.014 1.00 13.02 C ATOM 171 O GLN A 12 -12.109 14.162 -26.108 1.00 12.31 O ATOM 172 CB GLN A 12 -10.080 14.890 -23.915 1.00 52.25 C ATOM 173 CG GLN A 12 -9.235 14.230 -24.993 1.00 31.33 C ATOM 174 CD GLN A 12 -8.127 13.369 -24.419 1.00 44.31 C ATOM 175 OE1 GLN A 12 -8.193 12.936 -23.268 1.00 55.43 O ATOM 176 NE2 GLN A 12 -7.098 13.116 -25.220 1.00 54.14 N ATOM 0 H GLN A 12 -10.652 12.413 -24.156 1.00 31.42 H new ATOM 0 HA GLN A 12 -11.969 14.711 -22.906 1.00 62.51 H new ATOM 0 HB2 GLN A 12 -10.158 15.956 -24.128 1.00 52.25 H new ATOM 0 HB3 GLN A 12 -9.571 14.793 -22.956 1.00 52.25 H new ATOM 0 HG2 GLN A 12 -9.875 13.617 -25.627 1.00 31.33 H new ATOM 0 HG3 GLN A 12 -8.799 15.000 -25.630 1.00 31.33 H new ATOM 0 HE21 GLN A 12 -7.084 13.495 -26.167 1.00 54.14 H new ATOM 0 HE22 GLN A 12 -6.322 12.543 -24.888 1.00 54.14 H new ATOM 185 N GLU A 13 -13.262 15.601 -24.817 1.00 23.33 N ATOM 186 CA GLU A 13 -14.125 16.052 -25.901 1.00 53.53 C ATOM 187 C GLU A 13 -13.747 17.462 -26.347 1.00 0.23 C ATOM 188 O GLU A 13 -13.219 18.263 -25.575 1.00 42.44 O ATOM 189 CB GLU A 13 -15.591 16.020 -25.463 1.00 40.32 C ATOM 190 CG GLU A 13 -16.218 14.638 -25.538 1.00 14.51 C ATOM 191 CD GLU A 13 -17.728 14.690 -25.674 1.00 63.34 C ATOM 192 OE1 GLU A 13 -18.215 14.919 -26.801 1.00 43.11 O ATOM 193 OE2 GLU A 13 -18.422 14.500 -24.654 1.00 22.24 O ATOM 0 H GLU A 13 -13.448 16.044 -23.917 1.00 23.33 H new ATOM 0 HA GLU A 13 -13.990 15.374 -26.744 1.00 53.53 H new ATOM 0 HB2 GLU A 13 -15.664 16.388 -24.440 1.00 40.32 H new ATOM 0 HB3 GLU A 13 -16.164 16.704 -26.089 1.00 40.32 H new ATOM 0 HG2 GLU A 13 -15.799 14.098 -26.387 1.00 14.51 H new ATOM 0 HG3 GLU A 13 -15.957 14.075 -24.642 1.00 14.51 H new ATOM 200 N PRO A 14 -14.023 17.773 -27.622 1.00 3.30 N ATOM 201 CA PRO A 14 -13.720 19.086 -28.200 1.00 10.13 C ATOM 202 C PRO A 14 -14.612 20.187 -27.636 1.00 4.12 C ATOM 203 O PRO A 14 -15.833 20.043 -27.579 1.00 11.23 O ATOM 204 CB PRO A 14 -13.994 18.888 -29.693 1.00 11.33 C ATOM 205 CG PRO A 14 -14.980 17.773 -29.752 1.00 53.33 C ATOM 206 CD PRO A 14 -14.652 16.867 -28.598 1.00 5.51 C ATOM 0 HA PRO A 14 -12.701 19.404 -27.978 1.00 10.13 H new ATOM 0 HB2 PRO A 14 -14.394 19.795 -30.146 1.00 11.33 H new ATOM 0 HB3 PRO A 14 -13.081 18.638 -30.233 1.00 11.33 H new ATOM 0 HG2 PRO A 14 -16.000 18.150 -29.674 1.00 53.33 H new ATOM 0 HG3 PRO A 14 -14.909 17.239 -30.700 1.00 53.33 H new ATOM 0 HD2 PRO A 14 -15.546 16.395 -28.190 1.00 5.51 H new ATOM 0 HD3 PRO A 14 -13.976 16.065 -28.896 1.00 5.51 H new ATOM 214 N LYS A 15 -13.994 21.288 -27.220 1.00 62.51 N ATOM 215 CA LYS A 15 -14.731 22.415 -26.662 1.00 21.11 C ATOM 216 C LYS A 15 -13.797 23.586 -26.373 1.00 52.14 C ATOM 217 O LYS A 15 -13.751 24.557 -27.129 1.00 2.43 O ATOM 218 CB LYS A 15 -15.451 21.995 -25.379 1.00 21.25 C ATOM 219 CG LYS A 15 -16.218 23.125 -24.714 1.00 31.31 C ATOM 220 CD LYS A 15 -17.648 22.718 -24.399 1.00 40.21 C ATOM 221 CE LYS A 15 -18.630 23.321 -25.392 1.00 12.24 C ATOM 222 NZ LYS A 15 -19.030 24.703 -25.006 1.00 42.15 N ATOM 0 H LYS A 15 -12.984 21.423 -27.259 1.00 62.51 H new ATOM 0 HA LYS A 15 -15.469 22.734 -27.398 1.00 21.11 H new ATOM 0 HB2 LYS A 15 -16.142 21.184 -25.609 1.00 21.25 H new ATOM 0 HB3 LYS A 15 -14.719 21.600 -24.674 1.00 21.25 H new ATOM 0 HG2 LYS A 15 -15.711 23.418 -23.795 1.00 31.31 H new ATOM 0 HG3 LYS A 15 -16.222 23.997 -25.368 1.00 31.31 H new ATOM 0 HD2 LYS A 15 -17.731 21.631 -24.418 1.00 40.21 H new ATOM 0 HD3 LYS A 15 -17.905 23.040 -23.390 1.00 40.21 H new ATOM 0 HE2 LYS A 15 -18.179 23.337 -26.384 1.00 12.24 H new ATOM 0 HE3 LYS A 15 -19.517 22.690 -25.455 1.00 12.24 H new ATOM 0 HZ1 LYS A 15 -19.700 25.079 -25.707 1.00 42.15 H new ATOM 0 HZ2 LYS A 15 -19.483 24.685 -24.070 1.00 42.15 H new ATOM 0 HZ3 LYS A 15 -18.187 25.311 -24.971 1.00 42.15 H new ATOM 236 N LYS A 16 -13.053 23.488 -25.277 1.00 34.32 N ATOM 237 CA LYS A 16 -12.118 24.537 -24.889 1.00 53.13 C ATOM 238 C LYS A 16 -12.791 25.906 -24.926 1.00 64.20 C ATOM 239 O LYS A 16 -12.442 26.757 -25.744 1.00 53.23 O ATOM 240 CB LYS A 16 -10.900 24.531 -25.815 1.00 60.44 C ATOM 241 CG LYS A 16 -10.381 23.138 -26.128 1.00 72.32 C ATOM 242 CD LYS A 16 -8.925 22.981 -25.724 1.00 42.41 C ATOM 243 CE LYS A 16 -8.761 22.997 -24.212 1.00 32.30 C ATOM 244 NZ LYS A 16 -7.443 23.555 -23.802 1.00 63.24 N ATOM 0 H LYS A 16 -13.080 22.691 -24.641 1.00 34.32 H new ATOM 0 HA LYS A 16 -11.792 24.339 -23.868 1.00 53.13 H new ATOM 0 HB2 LYS A 16 -11.161 25.031 -26.748 1.00 60.44 H new ATOM 0 HB3 LYS A 16 -10.101 25.112 -25.355 1.00 60.44 H new ATOM 0 HG2 LYS A 16 -10.986 22.397 -25.605 1.00 72.32 H new ATOM 0 HG3 LYS A 16 -10.487 22.941 -27.195 1.00 72.32 H new ATOM 0 HD2 LYS A 16 -8.534 22.045 -26.123 1.00 42.41 H new ATOM 0 HD3 LYS A 16 -8.336 23.786 -26.163 1.00 42.41 H new ATOM 0 HE2 LYS A 16 -9.560 23.589 -23.766 1.00 32.30 H new ATOM 0 HE3 LYS A 16 -8.862 21.983 -23.825 1.00 32.30 H new ATOM 0 HZ1 LYS A 16 -7.168 23.155 -22.882 1.00 63.24 H new ATOM 0 HZ2 LYS A 16 -6.726 23.310 -24.514 1.00 63.24 H new ATOM 0 HZ3 LYS A 16 -7.514 24.590 -23.723 1.00 63.24 H new ATOM 258 N ASP A 17 -13.754 26.111 -24.034 1.00 63.24 N ATOM 259 CA ASP A 17 -14.473 27.377 -23.963 1.00 40.44 C ATOM 260 C ASP A 17 -14.086 28.152 -22.708 1.00 0.43 C ATOM 261 O ASP A 17 -14.249 27.664 -21.589 1.00 72.34 O ATOM 262 CB ASP A 17 -15.983 27.133 -23.982 1.00 23.23 C ATOM 263 CG ASP A 17 -16.464 26.389 -22.751 1.00 63.04 C ATOM 264 OD1 ASP A 17 -15.857 25.352 -22.411 1.00 11.25 O ATOM 265 OD2 ASP A 17 -17.447 26.843 -22.130 1.00 13.12 O ATOM 0 H ASP A 17 -14.054 25.416 -23.350 1.00 63.24 H new ATOM 0 HA ASP A 17 -14.198 27.972 -24.834 1.00 40.44 H new ATOM 0 HB2 ASP A 17 -16.502 28.089 -24.051 1.00 23.23 H new ATOM 0 HB3 ASP A 17 -16.245 26.563 -24.873 1.00 23.23 H new ATOM 270 N TYR A 18 -13.572 29.362 -22.900 1.00 62.13 N ATOM 271 CA TYR A 18 -13.158 30.203 -21.784 1.00 0.24 C ATOM 272 C TYR A 18 -13.962 31.499 -21.751 1.00 13.24 C ATOM 273 O TYR A 18 -14.453 31.966 -22.780 1.00 31.25 O ATOM 274 CB TYR A 18 -11.665 30.519 -21.882 1.00 4.12 C ATOM 275 CG TYR A 18 -10.826 29.346 -22.336 1.00 71.13 C ATOM 276 CD1 TYR A 18 -11.110 28.056 -21.906 1.00 25.32 C ATOM 277 CD2 TYR A 18 -9.751 29.528 -23.197 1.00 63.34 C ATOM 278 CE1 TYR A 18 -10.346 26.981 -22.318 1.00 45.20 C ATOM 279 CE2 TYR A 18 -8.982 28.459 -23.616 1.00 31.20 C ATOM 280 CZ TYR A 18 -9.283 27.188 -23.173 1.00 72.32 C ATOM 281 OH TYR A 18 -8.521 26.120 -23.587 1.00 64.32 O ATOM 0 H TYR A 18 -13.432 29.782 -23.819 1.00 62.13 H new ATOM 0 HA TYR A 18 -13.347 29.656 -20.861 1.00 0.24 H new ATOM 0 HB2 TYR A 18 -11.522 31.347 -22.576 1.00 4.12 H new ATOM 0 HB3 TYR A 18 -11.309 30.854 -20.908 1.00 4.12 H new ATOM 0 HD1 TYR A 18 -11.942 27.890 -21.238 1.00 25.32 H new ATOM 0 HD2 TYR A 18 -9.512 30.522 -23.545 1.00 63.34 H new ATOM 0 HE1 TYR A 18 -10.579 25.985 -21.973 1.00 45.20 H new ATOM 0 HE2 TYR A 18 -8.150 28.618 -24.286 1.00 31.20 H new ATOM 0 HH TYR A 18 -7.813 26.436 -24.187 1.00 64.32 H new ATOM 291 N LEU A 19 -14.093 32.076 -20.561 1.00 42.43 N ATOM 292 CA LEU A 19 -14.837 33.320 -20.392 1.00 22.32 C ATOM 293 C LEU A 19 -13.920 34.529 -20.550 1.00 32.41 C ATOM 294 O LEU A 19 -12.827 34.571 -19.985 1.00 33.53 O ATOM 295 CB LEU A 19 -15.509 33.351 -19.018 1.00 54.43 C ATOM 296 CG LEU A 19 -16.617 34.390 -18.837 1.00 42.10 C ATOM 297 CD1 LEU A 19 -17.550 33.984 -17.707 1.00 22.12 C ATOM 298 CD2 LEU A 19 -16.021 35.765 -18.571 1.00 24.40 C ATOM 0 H LEU A 19 -13.694 31.703 -19.700 1.00 42.43 H new ATOM 0 HA LEU A 19 -15.603 33.365 -21.166 1.00 22.32 H new ATOM 0 HB2 LEU A 19 -15.927 32.364 -18.818 1.00 54.43 H new ATOM 0 HB3 LEU A 19 -14.742 33.531 -18.265 1.00 54.43 H new ATOM 0 HG LEU A 19 -17.196 34.439 -19.759 1.00 42.10 H new ATOM 0 HD11 LEU A 19 -18.332 34.735 -17.593 1.00 22.12 H new ATOM 0 HD12 LEU A 19 -18.004 33.020 -17.938 1.00 22.12 H new ATOM 0 HD13 LEU A 19 -16.984 33.905 -16.779 1.00 22.12 H new ATOM 0 HD21 LEU A 19 -16.824 36.491 -18.445 1.00 24.40 H new ATOM 0 HD22 LEU A 19 -15.417 35.731 -17.664 1.00 24.40 H new ATOM 0 HD23 LEU A 19 -15.395 36.059 -19.413 1.00 24.40 H new ATOM 310 N VAL A 20 -14.374 35.512 -21.321 1.00 2.13 N ATOM 311 CA VAL A 20 -13.596 36.724 -21.551 1.00 34.14 C ATOM 312 C VAL A 20 -13.110 37.323 -20.236 1.00 33.35 C ATOM 313 O VAL A 20 -13.900 37.577 -19.327 1.00 74.43 O ATOM 314 CB VAL A 20 -14.418 37.782 -22.311 1.00 63.22 C ATOM 315 CG1 VAL A 20 -13.605 39.054 -22.501 1.00 35.24 C ATOM 316 CG2 VAL A 20 -14.883 37.232 -23.651 1.00 51.11 C ATOM 0 H VAL A 20 -15.276 35.493 -21.797 1.00 2.13 H new ATOM 0 HA VAL A 20 -12.736 36.438 -22.157 1.00 34.14 H new ATOM 0 HB VAL A 20 -15.299 38.028 -21.719 1.00 63.22 H new ATOM 0 HG11 VAL A 20 -14.202 39.790 -23.040 1.00 35.24 H new ATOM 0 HG12 VAL A 20 -13.325 39.456 -21.527 1.00 35.24 H new ATOM 0 HG13 VAL A 20 -12.705 38.828 -23.072 1.00 35.24 H new ATOM 0 HG21 VAL A 20 -15.462 37.992 -24.175 1.00 51.11 H new ATOM 0 HG22 VAL A 20 -14.016 36.958 -24.252 1.00 51.11 H new ATOM 0 HG23 VAL A 20 -15.504 36.351 -23.487 1.00 51.11 H new ATOM 326 N GLY A 21 -11.803 37.547 -20.141 1.00 31.22 N ATOM 327 CA GLY A 21 -11.233 38.115 -18.933 1.00 35.21 C ATOM 328 C GLY A 21 -10.717 37.054 -17.981 1.00 13.10 C ATOM 329 O GLY A 21 -9.862 37.329 -17.139 1.00 14.11 O ATOM 0 H GLY A 21 -11.129 37.345 -20.879 1.00 31.22 H new ATOM 0 HA2 GLY A 21 -10.417 38.786 -19.201 1.00 35.21 H new ATOM 0 HA3 GLY A 21 -11.988 38.717 -18.427 1.00 35.21 H new ATOM 333 N ASP A 22 -11.238 35.839 -18.113 1.00 12.21 N ATOM 334 CA ASP A 22 -10.825 34.733 -17.257 1.00 12.11 C ATOM 335 C ASP A 22 -9.816 33.840 -17.972 1.00 74.21 C ATOM 336 O ASP A 22 -8.705 33.628 -17.486 1.00 55.31 O ATOM 337 CB ASP A 22 -12.041 33.910 -16.829 1.00 70.31 C ATOM 338 CG ASP A 22 -12.021 33.572 -15.351 1.00 64.13 C ATOM 339 OD1 ASP A 22 -10.914 33.429 -14.790 1.00 61.02 O ATOM 340 OD2 ASP A 22 -13.111 33.451 -14.756 1.00 13.44 O ATOM 0 H ASP A 22 -11.947 35.595 -18.805 1.00 12.21 H new ATOM 0 HA ASP A 22 -10.348 35.150 -16.370 1.00 12.11 H new ATOM 0 HB2 ASP A 22 -12.951 34.465 -17.060 1.00 70.31 H new ATOM 0 HB3 ASP A 22 -12.074 32.988 -17.409 1.00 70.31 H new ATOM 345 N SER A 23 -10.212 33.317 -19.129 1.00 2.43 N ATOM 346 CA SER A 23 -9.344 32.443 -19.909 1.00 32.33 C ATOM 347 C SER A 23 -9.053 31.150 -19.152 1.00 12.55 C ATOM 348 O SER A 23 -9.058 31.124 -17.920 1.00 72.00 O ATOM 349 CB SER A 23 -8.033 33.157 -20.244 1.00 74.32 C ATOM 350 OG SER A 23 -8.219 34.560 -20.308 1.00 51.14 O ATOM 0 H SER A 23 -11.128 33.484 -19.546 1.00 2.43 H new ATOM 0 HA SER A 23 -9.860 32.193 -20.836 1.00 32.33 H new ATOM 0 HB2 SER A 23 -7.283 32.920 -19.489 1.00 74.32 H new ATOM 0 HB3 SER A 23 -7.651 32.794 -21.198 1.00 74.32 H new ATOM 0 HG SER A 23 -7.367 34.994 -20.522 1.00 51.14 H new ATOM 356 N LEU A 24 -8.800 30.080 -19.896 1.00 41.25 N ATOM 357 CA LEU A 24 -8.506 28.783 -19.297 1.00 73.12 C ATOM 358 C LEU A 24 -9.671 28.304 -18.437 1.00 55.20 C ATOM 359 O LEU A 24 -9.898 28.816 -17.341 1.00 13.53 O ATOM 360 CB LEU A 24 -7.234 28.866 -18.452 1.00 60.31 C ATOM 361 CG LEU A 24 -5.931 29.092 -19.220 1.00 55.44 C ATOM 362 CD1 LEU A 24 -5.793 30.554 -19.617 1.00 73.02 C ATOM 363 CD2 LEU A 24 -4.737 28.649 -18.388 1.00 73.52 C ATOM 0 H LEU A 24 -8.792 30.084 -20.916 1.00 41.25 H new ATOM 0 HA LEU A 24 -8.353 28.065 -20.102 1.00 73.12 H new ATOM 0 HB2 LEU A 24 -7.353 29.675 -17.732 1.00 60.31 H new ATOM 0 HB3 LEU A 24 -7.140 27.942 -17.881 1.00 60.31 H new ATOM 0 HG LEU A 24 -5.958 28.490 -20.128 1.00 55.44 H new ATOM 0 HD11 LEU A 24 -4.860 30.696 -20.163 1.00 73.02 H new ATOM 0 HD12 LEU A 24 -6.632 30.839 -20.252 1.00 73.02 H new ATOM 0 HD13 LEU A 24 -5.788 31.175 -18.721 1.00 73.02 H new ATOM 0 HD21 LEU A 24 -3.819 28.817 -18.951 1.00 73.52 H new ATOM 0 HD22 LEU A 24 -4.706 29.223 -17.462 1.00 73.52 H new ATOM 0 HD23 LEU A 24 -4.830 27.588 -18.154 1.00 73.52 H new ATOM 375 N ASP A 25 -10.406 27.318 -18.940 1.00 44.25 N ATOM 376 CA ASP A 25 -11.546 26.767 -18.217 1.00 3.51 C ATOM 377 C ASP A 25 -12.011 25.460 -18.850 1.00 53.24 C ATOM 378 O ASP A 25 -13.188 25.105 -18.773 1.00 31.34 O ATOM 379 CB ASP A 25 -12.696 27.775 -18.192 1.00 72.12 C ATOM 380 CG ASP A 25 -13.229 28.012 -16.793 1.00 24.44 C ATOM 381 OD1 ASP A 25 -13.110 27.097 -15.950 1.00 13.21 O ATOM 382 OD2 ASP A 25 -13.763 29.111 -16.540 1.00 2.44 O ATOM 0 H ASP A 25 -10.232 26.884 -19.846 1.00 44.25 H new ATOM 0 HA ASP A 25 -11.231 26.561 -17.194 1.00 3.51 H new ATOM 0 HB2 ASP A 25 -12.355 28.721 -18.613 1.00 72.12 H new ATOM 0 HB3 ASP A 25 -13.504 27.416 -18.829 1.00 72.12 H new ATOM 387 N LEU A 26 -11.081 24.749 -19.478 1.00 75.12 N ATOM 388 CA LEU A 26 -11.396 23.481 -20.127 1.00 34.32 C ATOM 389 C LEU A 26 -11.984 22.489 -19.128 1.00 12.44 C ATOM 390 O LEU A 26 -11.343 22.136 -18.138 1.00 0.21 O ATOM 391 CB LEU A 26 -10.141 22.889 -20.771 1.00 54.41 C ATOM 392 CG LEU A 26 -10.273 21.467 -21.316 1.00 74.21 C ATOM 393 CD1 LEU A 26 -11.063 21.464 -22.616 1.00 14.24 C ATOM 394 CD2 LEU A 26 -8.900 20.846 -21.524 1.00 22.43 C ATOM 0 H LEU A 26 -10.103 25.029 -19.552 1.00 75.12 H new ATOM 0 HA LEU A 26 -12.139 23.673 -20.901 1.00 34.32 H new ATOM 0 HB2 LEU A 26 -9.833 23.542 -21.587 1.00 54.41 H new ATOM 0 HB3 LEU A 26 -9.338 22.901 -20.033 1.00 54.41 H new ATOM 0 HG LEU A 26 -10.814 20.867 -20.584 1.00 74.21 H new ATOM 0 HD11 LEU A 26 -11.146 20.443 -22.989 1.00 14.24 H new ATOM 0 HD12 LEU A 26 -12.060 21.868 -22.437 1.00 14.24 H new ATOM 0 HD13 LEU A 26 -10.550 22.079 -23.355 1.00 14.24 H new ATOM 0 HD21 LEU A 26 -9.013 19.834 -21.912 1.00 22.43 H new ATOM 0 HD22 LEU A 26 -8.333 21.446 -22.236 1.00 22.43 H new ATOM 0 HD23 LEU A 26 -8.368 20.812 -20.573 1.00 22.43 H new ATOM 406 N SER A 27 -13.207 22.042 -19.395 1.00 11.41 N ATOM 407 CA SER A 27 -13.882 21.093 -18.518 1.00 73.54 C ATOM 408 C SER A 27 -14.333 19.860 -19.297 1.00 42.31 C ATOM 409 O SER A 27 -14.851 18.904 -18.721 1.00 2.53 O ATOM 410 CB SER A 27 -15.087 21.754 -17.846 1.00 72.24 C ATOM 411 OG SER A 27 -15.003 21.653 -16.435 1.00 51.15 O ATOM 0 H SER A 27 -13.750 22.322 -20.212 1.00 11.41 H new ATOM 0 HA SER A 27 -13.175 20.779 -17.751 1.00 73.54 H new ATOM 0 HB2 SER A 27 -15.139 22.803 -18.136 1.00 72.24 H new ATOM 0 HB3 SER A 27 -16.006 21.281 -18.194 1.00 72.24 H new ATOM 0 HG SER A 27 -15.784 22.084 -16.029 1.00 51.15 H new ATOM 417 N GLU A 28 -14.131 19.892 -20.611 1.00 31.43 N ATOM 418 CA GLU A 28 -14.517 18.778 -21.469 1.00 73.10 C ATOM 419 C GLU A 28 -13.295 17.969 -21.894 1.00 41.43 C ATOM 420 O GLU A 28 -13.415 16.826 -22.333 1.00 1.24 O ATOM 421 CB GLU A 28 -15.258 19.291 -22.705 1.00 74.14 C ATOM 422 CG GLU A 28 -16.506 20.095 -22.378 1.00 25.34 C ATOM 423 CD GLU A 28 -16.189 21.515 -21.952 1.00 1.14 C ATOM 424 OE1 GLU A 28 -15.038 21.953 -22.159 1.00 3.24 O ATOM 425 OE2 GLU A 28 -17.091 22.188 -21.411 1.00 51.24 O ATOM 0 H GLU A 28 -13.703 20.676 -21.104 1.00 31.43 H new ATOM 0 HA GLU A 28 -15.181 18.128 -20.900 1.00 73.10 H new ATOM 0 HB2 GLU A 28 -14.581 19.911 -23.293 1.00 74.14 H new ATOM 0 HB3 GLU A 28 -15.536 18.442 -23.329 1.00 74.14 H new ATOM 0 HG2 GLU A 28 -17.158 20.118 -23.251 1.00 25.34 H new ATOM 0 HG3 GLU A 28 -17.058 19.595 -21.582 1.00 25.34 H new ATOM 432 N GLY A 29 -12.118 18.573 -21.762 1.00 3.43 N ATOM 433 CA GLY A 29 -10.890 17.896 -22.137 1.00 11.21 C ATOM 434 C GLY A 29 -10.289 17.108 -20.990 1.00 74.53 C ATOM 435 O GLY A 29 -9.228 17.459 -20.475 1.00 62.03 O ATOM 0 H GLY A 29 -11.993 19.519 -21.402 1.00 3.43 H new ATOM 0 HA2 GLY A 29 -11.090 17.223 -22.971 1.00 11.21 H new ATOM 0 HA3 GLY A 29 -10.166 18.631 -22.487 1.00 11.21 H new ATOM 439 N ARG A 30 -10.970 16.039 -20.588 1.00 52.31 N ATOM 440 CA ARG A 30 -10.499 15.200 -19.493 1.00 4.51 C ATOM 441 C ARG A 30 -10.060 13.832 -20.006 1.00 42.12 C ATOM 442 O ARG A 30 -10.607 13.319 -20.982 1.00 73.31 O ATOM 443 CB ARG A 30 -11.596 15.034 -18.440 1.00 53.34 C ATOM 444 CG ARG A 30 -12.682 14.050 -18.843 1.00 53.23 C ATOM 445 CD ARG A 30 -14.063 14.555 -18.454 1.00 72.44 C ATOM 446 NE ARG A 30 -15.108 13.581 -18.760 1.00 62.21 N ATOM 447 CZ ARG A 30 -15.638 13.426 -19.968 1.00 43.44 C ATOM 448 NH1 ARG A 30 -15.223 14.178 -20.979 1.00 24.21 N ATOM 449 NH2 ARG A 30 -16.585 12.518 -20.168 1.00 4.52 N ATOM 0 H ARG A 30 -11.850 15.734 -21.005 1.00 52.31 H new ATOM 0 HA ARG A 30 -9.639 15.691 -19.037 1.00 4.51 H new ATOM 0 HB2 ARG A 30 -11.144 14.701 -17.506 1.00 53.34 H new ATOM 0 HB3 ARG A 30 -12.051 16.005 -18.245 1.00 53.34 H new ATOM 0 HG2 ARG A 30 -12.644 13.885 -19.920 1.00 53.23 H new ATOM 0 HG3 ARG A 30 -12.498 13.087 -18.366 1.00 53.23 H new ATOM 0 HD2 ARG A 30 -14.079 14.781 -17.388 1.00 72.44 H new ATOM 0 HD3 ARG A 30 -14.270 15.487 -18.981 1.00 72.44 H new ATOM 0 HE ARG A 30 -15.449 12.987 -18.004 1.00 62.21 H new ATOM 0 HH11 ARG A 30 -14.495 14.877 -20.830 1.00 24.21 H new ATOM 0 HH12 ARG A 30 -15.631 14.057 -21.906 1.00 24.21 H new ATOM 0 HH21 ARG A 30 -16.907 11.938 -19.393 1.00 4.52 H new ATOM 0 HH22 ARG A 30 -16.991 12.400 -21.096 1.00 4.52 H new ATOM 463 N PHE A 31 -9.068 13.247 -19.342 1.00 53.14 N ATOM 464 CA PHE A 31 -8.555 11.939 -19.732 1.00 44.11 C ATOM 465 C PHE A 31 -8.628 10.957 -18.567 1.00 35.41 C ATOM 466 O PHE A 31 -8.520 11.346 -17.405 1.00 11.43 O ATOM 467 CB PHE A 31 -7.110 12.060 -20.221 1.00 41.02 C ATOM 468 CG PHE A 31 -6.273 12.993 -19.393 1.00 61.14 C ATOM 469 CD1 PHE A 31 -6.249 14.351 -19.667 1.00 61.14 C ATOM 470 CD2 PHE A 31 -5.511 12.512 -18.341 1.00 63.01 C ATOM 471 CE1 PHE A 31 -5.479 15.211 -18.908 1.00 1.33 C ATOM 472 CE2 PHE A 31 -4.739 13.368 -17.578 1.00 30.34 C ATOM 473 CZ PHE A 31 -4.724 14.719 -17.861 1.00 11.32 C ATOM 0 H PHE A 31 -8.604 13.658 -18.532 1.00 53.14 H new ATOM 0 HA PHE A 31 -9.176 11.560 -20.544 1.00 44.11 H new ATOM 0 HB2 PHE A 31 -6.650 11.072 -20.218 1.00 41.02 H new ATOM 0 HB3 PHE A 31 -7.112 12.407 -21.254 1.00 41.02 H new ATOM 0 HD1 PHE A 31 -6.839 14.742 -20.483 1.00 61.14 H new ATOM 0 HD2 PHE A 31 -5.520 11.456 -18.114 1.00 63.01 H new ATOM 0 HE1 PHE A 31 -5.467 16.267 -19.133 1.00 1.33 H new ATOM 0 HE2 PHE A 31 -4.148 12.980 -16.761 1.00 30.34 H new ATOM 0 HZ PHE A 31 -4.123 15.390 -17.265 1.00 11.32 H new ATOM 483 N ALA A 32 -8.814 9.680 -18.888 1.00 12.42 N ATOM 484 CA ALA A 32 -8.901 8.641 -17.869 1.00 53.51 C ATOM 485 C ALA A 32 -7.645 7.777 -17.858 1.00 73.21 C ATOM 486 O ALA A 32 -7.175 7.334 -18.906 1.00 43.32 O ATOM 487 CB ALA A 32 -10.135 7.781 -18.097 1.00 60.32 C ATOM 0 H ALA A 32 -8.907 9.341 -19.845 1.00 12.42 H new ATOM 0 HA ALA A 32 -8.985 9.126 -16.896 1.00 53.51 H new ATOM 0 HB1 ALA A 32 -10.188 7.009 -17.329 1.00 60.32 H new ATOM 0 HB2 ALA A 32 -11.028 8.405 -18.046 1.00 60.32 H new ATOM 0 HB3 ALA A 32 -10.075 7.312 -19.079 1.00 60.32 H new ATOM 493 N VAL A 33 -7.106 7.540 -16.667 1.00 22.15 N ATOM 494 CA VAL A 33 -5.904 6.728 -16.519 1.00 70.42 C ATOM 495 C VAL A 33 -6.166 5.513 -15.636 1.00 15.11 C ATOM 496 O VAL A 33 -6.861 5.607 -14.625 1.00 34.13 O ATOM 497 CB VAL A 33 -4.745 7.544 -15.919 1.00 5.53 C ATOM 498 CG1 VAL A 33 -5.037 7.901 -14.469 1.00 64.40 C ATOM 499 CG2 VAL A 33 -3.436 6.777 -16.035 1.00 34.45 C ATOM 0 H VAL A 33 -7.483 7.899 -15.790 1.00 22.15 H new ATOM 0 HA VAL A 33 -5.624 6.394 -17.518 1.00 70.42 H new ATOM 0 HB VAL A 33 -4.647 8.471 -16.484 1.00 5.53 H new ATOM 0 HG11 VAL A 33 -4.206 8.478 -14.062 1.00 64.40 H new ATOM 0 HG12 VAL A 33 -5.950 8.494 -14.417 1.00 64.40 H new ATOM 0 HG13 VAL A 33 -5.164 6.988 -13.888 1.00 64.40 H new ATOM 0 HG21 VAL A 33 -2.628 7.369 -15.606 1.00 34.45 H new ATOM 0 HG22 VAL A 33 -3.519 5.833 -15.497 1.00 34.45 H new ATOM 0 HG23 VAL A 33 -3.222 6.579 -17.085 1.00 34.45 H new ATOM 509 N ALA A 34 -5.605 4.373 -16.025 1.00 31.02 N ATOM 510 CA ALA A 34 -5.776 3.140 -15.267 1.00 31.31 C ATOM 511 C ALA A 34 -4.527 2.817 -14.455 1.00 24.32 C ATOM 512 O ALA A 34 -3.444 2.631 -15.011 1.00 2.42 O ATOM 513 CB ALA A 34 -6.113 1.988 -16.202 1.00 65.23 C ATOM 0 H ALA A 34 -5.028 4.278 -16.861 1.00 31.02 H new ATOM 0 HA ALA A 34 -6.603 3.282 -14.571 1.00 31.31 H new ATOM 0 HB1 ALA A 34 -6.238 1.073 -15.622 1.00 65.23 H new ATOM 0 HB2 ALA A 34 -7.038 2.210 -16.734 1.00 65.23 H new ATOM 0 HB3 ALA A 34 -5.305 1.854 -16.921 1.00 65.23 H new ATOM 519 N TYR A 35 -4.684 2.751 -13.137 1.00 45.34 N ATOM 520 CA TYR A 35 -3.567 2.454 -12.248 1.00 62.35 C ATOM 521 C TYR A 35 -3.264 0.958 -12.236 1.00 11.53 C ATOM 522 O TYR A 35 -4.155 0.132 -12.432 1.00 22.33 O ATOM 523 CB TYR A 35 -3.875 2.935 -10.830 1.00 3.23 C ATOM 524 CG TYR A 35 -3.732 4.430 -10.653 1.00 50.12 C ATOM 525 CD1 TYR A 35 -2.492 5.005 -10.402 1.00 73.14 C ATOM 526 CD2 TYR A 35 -4.837 5.268 -10.738 1.00 73.14 C ATOM 527 CE1 TYR A 35 -2.358 6.370 -10.240 1.00 3.13 C ATOM 528 CE2 TYR A 35 -4.712 6.634 -10.579 1.00 1.44 C ATOM 529 CZ TYR A 35 -3.470 7.181 -10.329 1.00 32.41 C ATOM 530 OH TYR A 35 -3.340 8.541 -10.169 1.00 0.10 O ATOM 0 H TYR A 35 -5.574 2.899 -12.661 1.00 45.34 H new ATOM 0 HA TYR A 35 -2.689 2.981 -12.620 1.00 62.35 H new ATOM 0 HB2 TYR A 35 -4.892 2.642 -10.569 1.00 3.23 H new ATOM 0 HB3 TYR A 35 -3.209 2.429 -10.131 1.00 3.23 H new ATOM 0 HD1 TYR A 35 -1.618 4.374 -10.332 1.00 73.14 H new ATOM 0 HD2 TYR A 35 -5.811 4.843 -10.932 1.00 73.14 H new ATOM 0 HE1 TYR A 35 -1.387 6.800 -10.045 1.00 3.13 H new ATOM 0 HE2 TYR A 35 -5.581 7.271 -10.650 1.00 1.44 H new ATOM 0 HH TYR A 35 -4.218 8.967 -10.263 1.00 0.10 H new ATOM 540 N SER A 36 -2.000 0.619 -12.003 1.00 13.23 N ATOM 541 CA SER A 36 -1.577 -0.776 -11.967 1.00 15.00 C ATOM 542 C SER A 36 -2.217 -1.508 -10.791 1.00 13.51 C ATOM 543 O SER A 36 -2.212 -2.736 -10.733 1.00 73.45 O ATOM 544 CB SER A 36 -0.053 -0.867 -11.870 1.00 53.35 C ATOM 545 OG SER A 36 0.559 0.318 -12.350 1.00 24.24 O ATOM 0 H SER A 36 -1.251 1.291 -11.836 1.00 13.23 H new ATOM 0 HA SER A 36 -1.904 -1.253 -12.891 1.00 15.00 H new ATOM 0 HB2 SER A 36 0.239 -1.037 -10.834 1.00 53.35 H new ATOM 0 HB3 SER A 36 0.301 -1.722 -12.446 1.00 53.35 H new ATOM 0 HG SER A 36 1.533 0.236 -12.276 1.00 24.24 H new ATOM 551 N ASN A 37 -2.768 -0.742 -9.854 1.00 44.44 N ATOM 552 CA ASN A 37 -3.411 -1.316 -8.678 1.00 54.24 C ATOM 553 C ASN A 37 -4.916 -1.450 -8.893 1.00 1.00 C ATOM 554 O ASN A 37 -5.689 -1.491 -7.935 1.00 43.34 O ATOM 555 CB ASN A 37 -3.136 -0.451 -7.447 1.00 3.21 C ATOM 556 CG ASN A 37 -3.043 -1.270 -6.174 1.00 12.20 C ATOM 557 OD1 ASN A 37 -3.868 -2.150 -5.928 1.00 23.31 O ATOM 558 ND2 ASN A 37 -2.036 -0.982 -5.358 1.00 31.35 N ATOM 0 H ASN A 37 -2.782 0.277 -9.887 1.00 44.44 H new ATOM 0 HA ASN A 37 -2.994 -2.310 -8.515 1.00 54.24 H new ATOM 0 HB2 ASN A 37 -2.205 0.097 -7.592 1.00 3.21 H new ATOM 0 HB3 ASN A 37 -3.929 0.290 -7.342 1.00 3.21 H new ATOM 0 HD21 ASN A 37 -1.922 -1.499 -4.486 1.00 31.35 H new ATOM 0 HD22 ASN A 37 -1.376 -0.244 -5.603 1.00 31.35 H new ATOM 565 N ASP A 38 -5.324 -1.519 -10.155 1.00 40.33 N ATOM 566 CA ASP A 38 -6.736 -1.650 -10.496 1.00 62.24 C ATOM 567 C ASP A 38 -7.524 -0.432 -10.026 1.00 51.45 C ATOM 568 O ASP A 38 -8.346 -0.524 -9.114 1.00 4.34 O ATOM 569 CB ASP A 38 -7.317 -2.920 -9.873 1.00 62.32 C ATOM 570 CG ASP A 38 -8.564 -3.399 -10.590 1.00 50.32 C ATOM 571 OD1 ASP A 38 -9.155 -2.601 -11.348 1.00 30.33 O ATOM 572 OD2 ASP A 38 -8.950 -4.570 -10.393 1.00 63.21 O ATOM 0 H ASP A 38 -4.697 -1.486 -10.959 1.00 40.33 H new ATOM 0 HA ASP A 38 -6.818 -1.716 -11.581 1.00 62.24 H new ATOM 0 HB2 ASP A 38 -6.564 -3.708 -9.893 1.00 62.32 H new ATOM 0 HB3 ASP A 38 -7.553 -2.732 -8.826 1.00 62.32 H new ATOM 577 N THR A 39 -7.268 0.711 -10.655 1.00 41.35 N ATOM 578 CA THR A 39 -7.951 1.949 -10.301 1.00 33.32 C ATOM 579 C THR A 39 -8.088 2.867 -11.510 1.00 1.45 C ATOM 580 O THR A 39 -7.355 2.733 -12.489 1.00 21.02 O ATOM 581 CB THR A 39 -7.207 2.700 -9.181 1.00 13.13 C ATOM 582 OG1 THR A 39 -6.103 1.916 -8.714 1.00 55.23 O ATOM 583 CG2 THR A 39 -8.143 3.008 -8.021 1.00 60.14 C ATOM 0 H THR A 39 -6.592 0.805 -11.413 1.00 41.35 H new ATOM 0 HA THR A 39 -8.943 1.672 -9.945 1.00 33.32 H new ATOM 0 HB THR A 39 -6.837 3.641 -9.589 1.00 13.13 H new ATOM 0 HG1 THR A 39 -5.835 2.226 -7.824 1.00 55.23 H new ATOM 0 HG21 THR A 39 -7.595 3.539 -7.242 1.00 60.14 H new ATOM 0 HG22 THR A 39 -8.966 3.629 -8.373 1.00 60.14 H new ATOM 0 HG23 THR A 39 -8.539 2.077 -7.616 1.00 60.14 H new ATOM 591 N MET A 40 -9.030 3.801 -11.434 1.00 14.33 N ATOM 592 CA MET A 40 -9.261 4.744 -12.522 1.00 70.12 C ATOM 593 C MET A 40 -9.449 6.159 -11.985 1.00 53.12 C ATOM 594 O MET A 40 -10.145 6.368 -10.992 1.00 73.31 O ATOM 595 CB MET A 40 -10.488 4.327 -13.335 1.00 72.11 C ATOM 596 CG MET A 40 -10.634 5.083 -14.646 1.00 34.32 C ATOM 597 SD MET A 40 -12.224 4.787 -15.445 1.00 3.15 S ATOM 598 CE MET A 40 -11.711 3.854 -16.884 1.00 64.44 C ATOM 0 H MET A 40 -9.646 3.925 -10.630 1.00 14.33 H new ATOM 0 HA MET A 40 -8.384 4.734 -13.170 1.00 70.12 H new ATOM 0 HB2 MET A 40 -10.428 3.259 -13.546 1.00 72.11 H new ATOM 0 HB3 MET A 40 -11.383 4.484 -12.733 1.00 72.11 H new ATOM 0 HG2 MET A 40 -10.518 6.151 -14.460 1.00 34.32 H new ATOM 0 HG3 MET A 40 -9.831 4.788 -15.322 1.00 34.32 H new ATOM 0 HE1 MET A 40 -12.586 3.596 -17.481 1.00 64.44 H new ATOM 0 HE2 MET A 40 -11.028 4.456 -17.483 1.00 64.44 H new ATOM 0 HE3 MET A 40 -11.207 2.942 -16.565 1.00 64.44 H new ATOM 608 N GLU A 41 -8.824 7.127 -12.648 1.00 51.12 N ATOM 609 CA GLU A 41 -8.923 8.522 -12.235 1.00 51.11 C ATOM 610 C GLU A 41 -9.225 9.423 -13.429 1.00 72.12 C ATOM 611 O GLU A 41 -8.608 9.297 -14.486 1.00 62.11 O ATOM 612 CB GLU A 41 -7.625 8.970 -11.560 1.00 14.34 C ATOM 613 CG GLU A 41 -7.627 8.780 -10.052 1.00 43.01 C ATOM 614 CD GLU A 41 -6.663 9.714 -9.345 1.00 74.24 C ATOM 615 OE1 GLU A 41 -6.464 10.844 -9.837 1.00 4.21 O ATOM 616 OE2 GLU A 41 -6.109 9.314 -8.300 1.00 74.50 O ATOM 0 H GLU A 41 -8.244 6.971 -13.473 1.00 51.12 H new ATOM 0 HA GLU A 41 -9.743 8.606 -11.522 1.00 51.11 H new ATOM 0 HB2 GLU A 41 -6.792 8.412 -11.987 1.00 14.34 H new ATOM 0 HB3 GLU A 41 -7.453 10.022 -11.785 1.00 14.34 H new ATOM 0 HG2 GLU A 41 -8.634 8.946 -9.670 1.00 43.01 H new ATOM 0 HG3 GLU A 41 -7.364 7.748 -9.819 1.00 43.01 H new ATOM 623 N GLU A 42 -10.180 10.331 -13.251 1.00 62.14 N ATOM 624 CA GLU A 42 -10.565 11.252 -14.315 1.00 21.34 C ATOM 625 C GLU A 42 -10.315 12.698 -13.898 1.00 54.42 C ATOM 626 O GLU A 42 -10.606 13.090 -12.767 1.00 74.25 O ATOM 627 CB GLU A 42 -12.039 11.060 -14.676 1.00 53.50 C ATOM 628 CG GLU A 42 -12.255 10.264 -15.952 1.00 1.01 C ATOM 629 CD GLU A 42 -13.151 9.059 -15.743 1.00 31.21 C ATOM 630 OE1 GLU A 42 -13.016 8.394 -14.694 1.00 44.31 O ATOM 631 OE2 GLU A 42 -13.987 8.780 -16.627 1.00 72.14 O ATOM 0 H GLU A 42 -10.701 10.449 -12.382 1.00 62.14 H new ATOM 0 HA GLU A 42 -9.953 11.034 -15.190 1.00 21.34 H new ATOM 0 HB2 GLU A 42 -12.543 10.554 -13.853 1.00 53.50 H new ATOM 0 HB3 GLU A 42 -12.508 12.038 -14.784 1.00 53.50 H new ATOM 0 HG2 GLU A 42 -12.695 10.912 -16.710 1.00 1.01 H new ATOM 0 HG3 GLU A 42 -11.291 9.933 -16.337 1.00 1.01 H new ATOM 638 N HIS A 43 -9.774 13.488 -14.820 1.00 41.41 N ATOM 639 CA HIS A 43 -9.485 14.892 -14.550 1.00 3.24 C ATOM 640 C HIS A 43 -9.487 15.706 -15.840 1.00 63.33 C ATOM 641 O HIS A 43 -9.021 15.240 -16.880 1.00 61.40 O ATOM 642 CB HIS A 43 -8.133 15.030 -13.848 1.00 53.40 C ATOM 643 CG HIS A 43 -8.246 15.339 -12.387 1.00 22.33 C ATOM 644 ND1 HIS A 43 -9.166 16.228 -11.874 1.00 13.11 N ATOM 645 CD2 HIS A 43 -7.548 14.869 -11.326 1.00 62.25 C ATOM 646 CE1 HIS A 43 -9.029 16.293 -10.562 1.00 4.23 C ATOM 647 NE2 HIS A 43 -8.053 15.477 -10.204 1.00 53.41 N ATOM 0 H HIS A 43 -9.527 13.180 -15.760 1.00 41.41 H new ATOM 0 HA HIS A 43 -10.267 15.279 -13.897 1.00 3.24 H new ATOM 0 HB2 HIS A 43 -7.572 14.104 -13.973 1.00 53.40 H new ATOM 0 HB3 HIS A 43 -7.559 15.819 -14.335 1.00 53.40 H new ATOM 0 HD2 HIS A 43 -6.743 14.149 -11.357 1.00 62.25 H new ATOM 0 HE1 HIS A 43 -9.615 16.908 -9.895 1.00 4.23 H new ATOM 0 HE2 HIS A 43 -7.728 15.324 -9.249 1.00 53.41 H new ATOM 655 N SER A 44 -10.015 16.923 -15.766 1.00 4.41 N ATOM 656 CA SER A 44 -10.081 17.800 -16.929 1.00 74.14 C ATOM 657 C SER A 44 -9.186 19.021 -16.742 1.00 15.25 C ATOM 658 O SER A 44 -9.336 19.773 -15.778 1.00 32.31 O ATOM 659 CB SER A 44 -11.524 18.244 -17.177 1.00 52.24 C ATOM 660 OG SER A 44 -11.827 19.423 -16.451 1.00 30.40 O ATOM 0 H SER A 44 -10.404 17.324 -14.913 1.00 4.41 H new ATOM 0 HA SER A 44 -9.726 17.241 -17.795 1.00 74.14 H new ATOM 0 HB2 SER A 44 -11.676 18.420 -18.242 1.00 52.24 H new ATOM 0 HB3 SER A 44 -12.208 17.447 -16.885 1.00 52.24 H new ATOM 0 HG SER A 44 -11.129 19.584 -15.782 1.00 30.40 H new ATOM 666 N PHE A 45 -8.255 19.213 -17.670 1.00 30.42 N ATOM 667 CA PHE A 45 -7.334 20.342 -17.607 1.00 71.44 C ATOM 668 C PHE A 45 -6.852 20.572 -16.178 1.00 63.42 C ATOM 669 O PHE A 45 -7.203 21.567 -15.544 1.00 32.01 O ATOM 670 CB PHE A 45 -8.009 21.607 -18.140 1.00 1.42 C ATOM 671 CG PHE A 45 -7.037 22.670 -18.568 1.00 33.11 C ATOM 672 CD1 PHE A 45 -6.055 22.392 -19.505 1.00 11.22 C ATOM 673 CD2 PHE A 45 -7.106 23.946 -18.033 1.00 0.22 C ATOM 674 CE1 PHE A 45 -5.160 23.368 -19.901 1.00 64.32 C ATOM 675 CE2 PHE A 45 -6.214 24.926 -18.426 1.00 24.33 C ATOM 676 CZ PHE A 45 -5.239 24.636 -19.360 1.00 65.10 C ATOM 0 H PHE A 45 -8.118 18.601 -18.475 1.00 30.42 H new ATOM 0 HA PHE A 45 -6.470 20.110 -18.229 1.00 71.44 H new ATOM 0 HB2 PHE A 45 -8.642 21.342 -18.987 1.00 1.42 H new ATOM 0 HB3 PHE A 45 -8.663 22.013 -17.368 1.00 1.42 H new ATOM 0 HD1 PHE A 45 -5.988 21.402 -19.931 1.00 11.22 H new ATOM 0 HD2 PHE A 45 -7.865 24.178 -17.301 1.00 0.22 H new ATOM 0 HE1 PHE A 45 -4.400 23.139 -20.633 1.00 64.32 H new ATOM 0 HE2 PHE A 45 -6.279 25.918 -18.003 1.00 24.33 H new ATOM 0 HZ PHE A 45 -4.540 25.400 -19.667 1.00 65.10 H new ATOM 686 N THR A 46 -6.044 19.643 -15.676 1.00 22.21 N ATOM 687 CA THR A 46 -5.514 19.742 -14.322 1.00 21.01 C ATOM 688 C THR A 46 -4.439 18.690 -14.074 1.00 2.22 C ATOM 689 O THR A 46 -3.442 18.954 -13.400 1.00 75.04 O ATOM 690 CB THR A 46 -6.627 19.580 -13.270 1.00 32.23 C ATOM 691 OG1 THR A 46 -6.069 19.641 -11.952 1.00 61.25 O ATOM 692 CG2 THR A 46 -7.359 18.259 -13.455 1.00 41.12 C ATOM 0 H THR A 46 -5.743 18.813 -16.187 1.00 22.21 H new ATOM 0 HA THR A 46 -5.075 20.735 -14.226 1.00 21.01 H new ATOM 0 HB THR A 46 -7.340 20.394 -13.400 1.00 32.23 H new ATOM 0 HG1 THR A 46 -6.784 19.539 -11.289 1.00 61.25 H new ATOM 0 HG21 THR A 46 -8.140 18.167 -12.701 1.00 41.12 H new ATOM 0 HG22 THR A 46 -7.808 18.228 -14.448 1.00 41.12 H new ATOM 0 HG23 THR A 46 -6.654 17.434 -13.349 1.00 41.12 H new ATOM 700 N ASP A 47 -4.646 17.498 -14.622 1.00 54.11 N ATOM 701 CA ASP A 47 -3.693 16.406 -14.462 1.00 12.24 C ATOM 702 C ASP A 47 -2.516 16.567 -15.418 1.00 40.54 C ATOM 703 O ASP A 47 -2.681 17.025 -16.548 1.00 53.44 O ATOM 704 CB ASP A 47 -4.381 15.061 -14.701 1.00 43.23 C ATOM 705 CG ASP A 47 -4.479 14.228 -13.438 1.00 54.25 C ATOM 706 OD1 ASP A 47 -3.563 14.318 -12.595 1.00 3.12 O ATOM 707 OD2 ASP A 47 -5.474 13.487 -13.293 1.00 43.13 O ATOM 0 H ASP A 47 -5.466 17.263 -15.181 1.00 54.11 H new ATOM 0 HA ASP A 47 -3.314 16.434 -13.440 1.00 12.24 H new ATOM 0 HB2 ASP A 47 -5.382 15.233 -15.097 1.00 43.23 H new ATOM 0 HB3 ASP A 47 -3.830 14.504 -15.458 1.00 43.23 H new ATOM 712 N GLU A 48 -1.328 16.189 -14.957 1.00 33.15 N ATOM 713 CA GLU A 48 -0.124 16.294 -15.771 1.00 63.15 C ATOM 714 C GLU A 48 -0.133 15.257 -16.892 1.00 4.55 C ATOM 715 O GLU A 48 -1.149 14.613 -17.148 1.00 24.14 O ATOM 716 CB GLU A 48 1.123 16.112 -14.904 1.00 4.33 C ATOM 717 CG GLU A 48 1.086 16.909 -13.611 1.00 5.54 C ATOM 718 CD GLU A 48 0.806 16.043 -12.399 1.00 34.53 C ATOM 719 OE1 GLU A 48 1.343 14.917 -12.336 1.00 51.11 O ATOM 720 OE2 GLU A 48 0.048 16.490 -11.512 1.00 41.44 O ATOM 0 H GLU A 48 -1.174 15.807 -14.024 1.00 33.15 H new ATOM 0 HA GLU A 48 -0.105 17.288 -16.218 1.00 63.15 H new ATOM 0 HB2 GLU A 48 1.239 15.055 -14.666 1.00 4.33 H new ATOM 0 HB3 GLU A 48 2.001 16.408 -15.478 1.00 4.33 H new ATOM 0 HG2 GLU A 48 2.040 17.419 -13.476 1.00 5.54 H new ATOM 0 HG3 GLU A 48 0.320 17.681 -13.686 1.00 5.54 H new ATOM 727 N GLY A 49 1.008 15.104 -17.557 1.00 24.42 N ATOM 728 CA GLY A 49 1.111 14.145 -18.642 1.00 1.41 C ATOM 729 C GLY A 49 0.686 14.731 -19.974 1.00 64.41 C ATOM 730 O GLY A 49 1.433 14.675 -20.951 1.00 61.23 O ATOM 0 H GLY A 49 1.862 15.627 -17.364 1.00 24.42 H new ATOM 0 HA2 GLY A 49 2.140 13.792 -18.715 1.00 1.41 H new ATOM 0 HA3 GLY A 49 0.492 13.277 -18.416 1.00 1.41 H new ATOM 734 N VAL A 50 -0.518 15.293 -20.015 1.00 64.41 N ATOM 735 CA VAL A 50 -1.041 15.890 -21.238 1.00 31.03 C ATOM 736 C VAL A 50 -0.496 17.300 -21.438 1.00 32.34 C ATOM 737 O VAL A 50 -0.638 18.159 -20.569 1.00 13.15 O ATOM 738 CB VAL A 50 -2.580 15.944 -21.222 1.00 34.14 C ATOM 739 CG1 VAL A 50 -3.106 16.583 -22.498 1.00 1.43 C ATOM 740 CG2 VAL A 50 -3.160 14.550 -21.036 1.00 61.33 C ATOM 0 H VAL A 50 -1.149 15.347 -19.216 1.00 64.41 H new ATOM 0 HA VAL A 50 -0.715 15.257 -22.064 1.00 31.03 H new ATOM 0 HB VAL A 50 -2.895 16.560 -20.380 1.00 34.14 H new ATOM 0 HG11 VAL A 50 -4.195 16.612 -22.468 1.00 1.43 H new ATOM 0 HG12 VAL A 50 -2.718 17.598 -22.583 1.00 1.43 H new ATOM 0 HG13 VAL A 50 -2.782 15.997 -23.358 1.00 1.43 H new ATOM 0 HG21 VAL A 50 -4.248 14.607 -21.027 1.00 61.33 H new ATOM 0 HG22 VAL A 50 -2.837 13.909 -21.856 1.00 61.33 H new ATOM 0 HG23 VAL A 50 -2.811 14.134 -20.091 1.00 61.33 H new ATOM 750 N GLU A 51 0.127 17.530 -22.589 1.00 25.41 N ATOM 751 CA GLU A 51 0.694 18.836 -22.902 1.00 42.13 C ATOM 752 C GLU A 51 0.162 19.354 -24.235 1.00 40.33 C ATOM 753 O GLU A 51 0.310 18.703 -25.270 1.00 1.21 O ATOM 754 CB GLU A 51 2.222 18.757 -22.947 1.00 34.15 C ATOM 755 CG GLU A 51 2.852 18.407 -21.609 1.00 11.21 C ATOM 756 CD GLU A 51 3.900 17.317 -21.725 1.00 12.31 C ATOM 757 OE1 GLU A 51 4.961 17.577 -22.331 1.00 14.23 O ATOM 758 OE2 GLU A 51 3.659 16.205 -21.211 1.00 4.23 O ATOM 0 H GLU A 51 0.252 16.829 -23.320 1.00 25.41 H new ATOM 0 HA GLU A 51 0.396 19.530 -22.116 1.00 42.13 H new ATOM 0 HB2 GLU A 51 2.517 18.011 -23.685 1.00 34.15 H new ATOM 0 HB3 GLU A 51 2.617 19.715 -23.286 1.00 34.15 H new ATOM 0 HG2 GLU A 51 3.308 19.300 -21.182 1.00 11.21 H new ATOM 0 HG3 GLU A 51 2.073 18.085 -20.918 1.00 11.21 H new ATOM 765 N ILE A 52 -0.458 20.529 -24.202 1.00 1.15 N ATOM 766 CA ILE A 52 -1.012 21.135 -25.406 1.00 64.11 C ATOM 767 C ILE A 52 -0.157 22.308 -25.874 1.00 70.00 C ATOM 768 O ILE A 52 0.322 23.102 -25.065 1.00 15.53 O ATOM 769 CB ILE A 52 -2.454 21.624 -25.178 1.00 71.03 C ATOM 770 CG1 ILE A 52 -3.424 20.440 -25.183 1.00 42.44 C ATOM 771 CG2 ILE A 52 -2.843 22.639 -26.242 1.00 54.33 C ATOM 772 CD1 ILE A 52 -3.306 19.558 -23.961 1.00 32.52 C ATOM 0 H ILE A 52 -0.589 21.080 -23.354 1.00 1.15 H new ATOM 0 HA ILE A 52 -1.017 20.362 -26.175 1.00 64.11 H new ATOM 0 HB ILE A 52 -2.508 22.109 -24.204 1.00 71.03 H new ATOM 0 HG12 ILE A 52 -4.444 20.817 -25.252 1.00 42.44 H new ATOM 0 HG13 ILE A 52 -3.246 19.838 -26.074 1.00 42.44 H new ATOM 0 HG21 ILE A 52 -3.865 22.975 -26.068 1.00 54.33 H new ATOM 0 HG22 ILE A 52 -2.167 23.493 -26.195 1.00 54.33 H new ATOM 0 HG23 ILE A 52 -2.776 22.177 -27.227 1.00 54.33 H new ATOM 0 HD11 ILE A 52 -4.023 18.740 -24.032 1.00 32.52 H new ATOM 0 HD12 ILE A 52 -2.296 19.152 -23.902 1.00 32.52 H new ATOM 0 HD13 ILE A 52 -3.514 20.146 -23.067 1.00 32.52 H new ATOM 784 N SER A 53 0.029 22.411 -27.186 1.00 41.21 N ATOM 785 CA SER A 53 0.828 23.486 -27.763 1.00 12.44 C ATOM 786 C SER A 53 0.077 24.171 -28.901 1.00 33.23 C ATOM 787 O SER A 53 -0.835 23.594 -29.493 1.00 44.41 O ATOM 788 CB SER A 53 2.163 22.941 -28.273 1.00 1.32 C ATOM 789 OG SER A 53 3.242 23.421 -27.490 1.00 23.35 O ATOM 0 H SER A 53 -0.363 21.763 -27.870 1.00 41.21 H new ATOM 0 HA SER A 53 1.019 24.222 -26.982 1.00 12.44 H new ATOM 0 HB2 SER A 53 2.148 21.851 -28.248 1.00 1.32 H new ATOM 0 HB3 SER A 53 2.306 23.234 -29.313 1.00 1.32 H new ATOM 0 HG SER A 53 4.084 23.057 -27.835 1.00 23.35 H new ATOM 795 N GLY A 54 0.467 25.406 -29.201 1.00 20.12 N ATOM 796 CA GLY A 54 -0.179 26.150 -30.266 1.00 61.23 C ATOM 797 C GLY A 54 -1.196 27.146 -29.744 1.00 64.44 C ATOM 798 O GLY A 54 -1.552 28.100 -30.436 1.00 73.43 O ATOM 0 H GLY A 54 1.219 25.905 -28.725 1.00 20.12 H new ATOM 0 HA2 GLY A 54 0.577 26.678 -30.846 1.00 61.23 H new ATOM 0 HA3 GLY A 54 -0.672 25.454 -30.944 1.00 61.23 H new ATOM 802 N TYR A 55 -1.665 26.924 -28.522 1.00 22.43 N ATOM 803 CA TYR A 55 -2.650 27.807 -27.909 1.00 70.21 C ATOM 804 C TYR A 55 -1.968 28.949 -27.162 1.00 20.55 C ATOM 805 O TYR A 55 -0.980 28.741 -26.457 1.00 11.33 O ATOM 806 CB TYR A 55 -3.547 27.019 -26.952 1.00 45.41 C ATOM 807 CG TYR A 55 -3.778 27.714 -25.629 1.00 45.11 C ATOM 808 CD1 TYR A 55 -4.775 28.671 -25.489 1.00 33.40 C ATOM 809 CD2 TYR A 55 -2.998 27.413 -24.519 1.00 33.22 C ATOM 810 CE1 TYR A 55 -4.989 29.308 -24.282 1.00 51.23 C ATOM 811 CE2 TYR A 55 -3.206 28.044 -23.308 1.00 0.43 C ATOM 812 CZ TYR A 55 -4.202 28.992 -23.195 1.00 32.43 C ATOM 813 OH TYR A 55 -4.413 29.623 -21.991 1.00 10.54 O ATOM 0 H TYR A 55 -1.379 26.140 -27.936 1.00 22.43 H new ATOM 0 HA TYR A 55 -3.263 28.232 -28.703 1.00 70.21 H new ATOM 0 HB2 TYR A 55 -4.509 26.841 -27.432 1.00 45.41 H new ATOM 0 HB3 TYR A 55 -3.098 26.043 -26.767 1.00 45.41 H new ATOM 0 HD1 TYR A 55 -5.393 28.921 -26.338 1.00 33.40 H new ATOM 0 HD2 TYR A 55 -2.216 26.673 -24.605 1.00 33.22 H new ATOM 0 HE1 TYR A 55 -5.769 30.050 -24.190 1.00 51.23 H new ATOM 0 HE2 TYR A 55 -2.592 27.797 -22.454 1.00 0.43 H new ATOM 0 HH TYR A 55 -3.953 29.131 -21.279 1.00 10.54 H new ATOM 823 N ASP A 56 -2.503 30.154 -27.321 1.00 32.15 N ATOM 824 CA ASP A 56 -1.949 31.330 -26.660 1.00 63.10 C ATOM 825 C ASP A 56 -2.939 31.904 -25.652 1.00 1.42 C ATOM 826 O ASP A 56 -3.993 32.418 -26.026 1.00 2.13 O ATOM 827 CB ASP A 56 -1.579 32.395 -27.694 1.00 25.33 C ATOM 828 CG ASP A 56 -0.079 32.553 -27.850 1.00 41.11 C ATOM 829 OD1 ASP A 56 0.581 31.578 -28.267 1.00 72.05 O ATOM 830 OD2 ASP A 56 0.435 33.652 -27.556 1.00 40.41 O ATOM 0 H ASP A 56 -3.320 30.343 -27.902 1.00 32.15 H new ATOM 0 HA ASP A 56 -1.049 31.026 -26.125 1.00 63.10 H new ATOM 0 HB2 ASP A 56 -2.016 32.130 -28.657 1.00 25.33 H new ATOM 0 HB3 ASP A 56 -2.013 33.350 -27.399 1.00 25.33 H new ATOM 835 N ALA A 57 -2.593 31.813 -24.372 1.00 22.40 N ATOM 836 CA ALA A 57 -3.451 32.324 -23.310 1.00 64.11 C ATOM 837 C ALA A 57 -3.703 33.818 -23.480 1.00 52.21 C ATOM 838 O ALA A 57 -4.655 34.363 -22.922 1.00 73.30 O ATOM 839 CB ALA A 57 -2.830 32.043 -21.949 1.00 75.14 C ATOM 0 H ALA A 57 -1.724 31.390 -24.045 1.00 22.40 H new ATOM 0 HA ALA A 57 -4.410 31.811 -23.372 1.00 64.11 H new ATOM 0 HB1 ALA A 57 -3.481 32.430 -21.165 1.00 75.14 H new ATOM 0 HB2 ALA A 57 -2.707 30.968 -21.820 1.00 75.14 H new ATOM 0 HB3 ALA A 57 -1.857 32.530 -21.886 1.00 75.14 H new ATOM 845 N GLN A 58 -2.844 34.475 -24.253 1.00 71.31 N ATOM 846 CA GLN A 58 -2.975 35.907 -24.494 1.00 63.35 C ATOM 847 C GLN A 58 -4.229 36.210 -25.307 1.00 71.33 C ATOM 848 O GLN A 58 -5.171 36.827 -24.809 1.00 44.23 O ATOM 849 CB GLN A 58 -1.739 36.437 -25.224 1.00 73.03 C ATOM 850 CG GLN A 58 -1.514 37.928 -25.034 1.00 4.21 C ATOM 851 CD GLN A 58 -0.269 38.231 -24.224 1.00 3.25 C ATOM 852 OE1 GLN A 58 0.831 38.330 -24.768 1.00 4.42 O ATOM 853 NE2 GLN A 58 -0.436 38.380 -22.915 1.00 2.43 N ATOM 0 H GLN A 58 -2.051 34.039 -24.723 1.00 71.31 H new ATOM 0 HA GLN A 58 -3.061 36.406 -23.529 1.00 63.35 H new ATOM 0 HB2 GLN A 58 -0.860 35.897 -24.872 1.00 73.03 H new ATOM 0 HB3 GLN A 58 -1.837 36.225 -26.289 1.00 73.03 H new ATOM 0 HG2 GLN A 58 -1.434 38.407 -26.010 1.00 4.21 H new ATOM 0 HG3 GLN A 58 -2.381 38.362 -24.536 1.00 4.21 H new ATOM 0 HE21 GLN A 58 -1.366 38.290 -22.506 1.00 2.43 H new ATOM 0 HE22 GLN A 58 0.366 38.585 -22.319 1.00 2.43 H new ATOM 862 N LYS A 59 -4.235 35.771 -26.562 1.00 14.54 N ATOM 863 CA LYS A 59 -5.374 35.994 -27.445 1.00 10.33 C ATOM 864 C LYS A 59 -6.149 34.700 -27.670 1.00 52.12 C ATOM 865 O LYS A 59 -5.570 33.613 -27.695 1.00 54.34 O ATOM 866 CB LYS A 59 -4.902 36.559 -28.787 1.00 12.05 C ATOM 867 CG LYS A 59 -5.276 38.016 -28.999 1.00 20.15 C ATOM 868 CD LYS A 59 -4.162 38.782 -29.693 1.00 34.12 C ATOM 869 CE LYS A 59 -3.989 38.329 -31.134 1.00 60.13 C ATOM 870 NZ LYS A 59 -2.562 38.363 -31.559 1.00 21.14 N ATOM 0 H LYS A 59 -3.464 35.259 -26.990 1.00 14.54 H new ATOM 0 HA LYS A 59 -6.037 36.715 -26.967 1.00 10.33 H new ATOM 0 HB2 LYS A 59 -3.819 36.457 -28.854 1.00 12.05 H new ATOM 0 HB3 LYS A 59 -5.328 35.962 -29.593 1.00 12.05 H new ATOM 0 HG2 LYS A 59 -6.186 38.076 -29.595 1.00 20.15 H new ATOM 0 HG3 LYS A 59 -5.494 38.480 -28.037 1.00 20.15 H new ATOM 0 HD2 LYS A 59 -4.383 39.849 -29.670 1.00 34.12 H new ATOM 0 HD3 LYS A 59 -3.227 38.639 -29.151 1.00 34.12 H new ATOM 0 HE2 LYS A 59 -4.377 37.316 -31.245 1.00 60.13 H new ATOM 0 HE3 LYS A 59 -4.578 38.970 -31.789 1.00 60.13 H new ATOM 0 HZ1 LYS A 59 -2.486 38.047 -32.547 1.00 21.14 H new ATOM 0 HZ2 LYS A 59 -2.198 39.334 -31.477 1.00 21.14 H new ATOM 0 HZ3 LYS A 59 -2.003 37.732 -30.950 1.00 21.14 H new ATOM 884 N THR A 60 -7.463 34.823 -27.835 1.00 44.23 N ATOM 885 CA THR A 60 -8.317 33.664 -28.059 1.00 62.32 C ATOM 886 C THR A 60 -9.400 33.969 -29.087 1.00 51.22 C ATOM 887 O THR A 60 -9.416 35.043 -29.687 1.00 3.45 O ATOM 888 CB THR A 60 -8.983 33.196 -26.752 1.00 11.05 C ATOM 889 OG1 THR A 60 -9.846 34.222 -26.247 1.00 65.30 O ATOM 890 CG2 THR A 60 -7.936 32.847 -25.705 1.00 45.11 C ATOM 0 H THR A 60 -7.958 35.714 -27.818 1.00 44.23 H new ATOM 0 HA THR A 60 -7.676 32.868 -28.437 1.00 62.32 H new ATOM 0 HB THR A 60 -9.569 32.303 -26.969 1.00 11.05 H new ATOM 0 HG1 THR A 60 -9.886 34.164 -25.270 1.00 65.30 H new ATOM 0 HG21 THR A 60 -8.431 32.519 -24.791 1.00 45.11 H new ATOM 0 HG22 THR A 60 -7.299 32.046 -26.080 1.00 45.11 H new ATOM 0 HG23 THR A 60 -7.327 33.726 -25.493 1.00 45.11 H new ATOM 898 N GLY A 61 -10.306 33.017 -29.286 1.00 73.33 N ATOM 899 CA GLY A 61 -11.382 33.204 -30.243 1.00 3.14 C ATOM 900 C GLY A 61 -11.365 32.164 -31.345 1.00 43.23 C ATOM 901 O GLY A 61 -12.414 31.786 -31.867 1.00 44.02 O ATOM 0 H GLY A 61 -10.315 32.119 -28.802 1.00 73.33 H new ATOM 0 HA2 GLY A 61 -12.339 33.161 -29.722 1.00 3.14 H new ATOM 0 HA3 GLY A 61 -11.303 34.198 -30.684 1.00 3.14 H new ATOM 905 N ARG A 62 -10.171 31.702 -31.702 1.00 61.30 N ATOM 906 CA ARG A 62 -10.022 30.701 -32.752 1.00 43.41 C ATOM 907 C ARG A 62 -8.566 30.265 -32.884 1.00 65.12 C ATOM 908 O ARG A 62 -7.917 30.532 -33.896 1.00 14.54 O ATOM 909 CB ARG A 62 -10.523 31.254 -34.088 1.00 3.44 C ATOM 910 CG ARG A 62 -11.009 30.181 -35.047 1.00 60.24 C ATOM 911 CD ARG A 62 -9.905 29.739 -35.995 1.00 25.34 C ATOM 912 NE ARG A 62 -10.393 29.558 -37.359 1.00 35.32 N ATOM 913 CZ ARG A 62 -11.112 28.511 -37.749 1.00 15.01 C ATOM 914 NH1 ARG A 62 -11.425 27.557 -36.883 1.00 2.13 N ATOM 915 NH2 ARG A 62 -11.521 28.417 -39.008 1.00 0.41 N ATOM 0 H ARG A 62 -9.293 32.005 -31.280 1.00 61.30 H new ATOM 0 HA ARG A 62 -10.621 29.832 -32.479 1.00 43.41 H new ATOM 0 HB2 ARG A 62 -11.335 31.956 -33.899 1.00 3.44 H new ATOM 0 HB3 ARG A 62 -9.719 31.817 -34.563 1.00 3.44 H new ATOM 0 HG2 ARG A 62 -11.370 29.322 -34.481 1.00 60.24 H new ATOM 0 HG3 ARG A 62 -11.853 30.561 -35.622 1.00 60.24 H new ATOM 0 HD2 ARG A 62 -9.106 30.481 -35.992 1.00 25.34 H new ATOM 0 HD3 ARG A 62 -9.473 28.804 -35.638 1.00 25.34 H new ATOM 0 HE ARG A 62 -10.170 30.274 -38.050 1.00 35.32 H new ATOM 0 HH11 ARG A 62 -11.114 27.626 -35.914 1.00 2.13 H new ATOM 0 HH12 ARG A 62 -11.977 26.755 -37.186 1.00 2.13 H new ATOM 0 HH21 ARG A 62 -11.283 29.149 -39.677 1.00 0.41 H new ATOM 0 HH22 ARG A 62 -12.073 27.613 -39.306 1.00 0.41 H new ATOM 929 N GLN A 63 -8.059 29.593 -31.856 1.00 20.24 N ATOM 930 CA GLN A 63 -6.679 29.121 -31.857 1.00 33.10 C ATOM 931 C GLN A 63 -6.625 27.597 -31.868 1.00 34.32 C ATOM 932 O GLN A 63 -7.459 26.930 -31.253 1.00 4.44 O ATOM 933 CB GLN A 63 -5.932 29.661 -30.636 1.00 72.23 C ATOM 934 CG GLN A 63 -6.182 31.137 -30.374 1.00 13.13 C ATOM 935 CD GLN A 63 -5.959 31.995 -31.604 1.00 23.44 C ATOM 936 OE1 GLN A 63 -6.832 32.765 -32.004 1.00 45.24 O ATOM 937 NE2 GLN A 63 -4.785 31.865 -32.210 1.00 45.42 N ATOM 0 H GLN A 63 -8.583 29.363 -31.012 1.00 20.24 H new ATOM 0 HA GLN A 63 -6.196 29.490 -32.762 1.00 33.10 H new ATOM 0 HB2 GLN A 63 -6.229 29.089 -29.757 1.00 72.23 H new ATOM 0 HB3 GLN A 63 -4.863 29.501 -30.775 1.00 72.23 H new ATOM 0 HG2 GLN A 63 -7.205 31.271 -30.023 1.00 13.13 H new ATOM 0 HG3 GLN A 63 -5.523 31.477 -29.575 1.00 13.13 H new ATOM 0 HE21 GLN A 63 -4.091 31.214 -31.843 1.00 45.42 H new ATOM 0 HE22 GLN A 63 -4.577 32.416 -33.043 1.00 45.42 H new ATOM 946 N THR A 64 -5.639 27.049 -32.572 1.00 13.33 N ATOM 947 CA THR A 64 -5.477 25.604 -32.664 1.00 73.12 C ATOM 948 C THR A 64 -4.760 25.051 -31.438 1.00 12.43 C ATOM 949 O THR A 64 -3.994 25.759 -30.783 1.00 24.02 O ATOM 950 CB THR A 64 -4.690 25.206 -33.927 1.00 55.43 C ATOM 951 OG1 THR A 64 -5.220 25.889 -35.069 1.00 43.33 O ATOM 952 CG2 THR A 64 -4.754 23.704 -34.154 1.00 74.52 C ATOM 0 H THR A 64 -4.940 27.585 -33.087 1.00 13.33 H new ATOM 0 HA THR A 64 -6.479 25.177 -32.719 1.00 73.12 H new ATOM 0 HB THR A 64 -3.648 25.491 -33.784 1.00 55.43 H new ATOM 0 HG1 THR A 64 -4.714 25.632 -35.868 1.00 43.33 H new ATOM 0 HG21 THR A 64 -4.191 23.447 -35.051 1.00 74.52 H new ATOM 0 HG22 THR A 64 -4.324 23.188 -33.296 1.00 74.52 H new ATOM 0 HG23 THR A 64 -5.793 23.399 -34.278 1.00 74.52 H new ATOM 960 N LEU A 65 -5.013 23.784 -31.132 1.00 23.42 N ATOM 961 CA LEU A 65 -4.390 23.135 -29.983 1.00 41.10 C ATOM 962 C LEU A 65 -4.099 21.667 -30.278 1.00 44.21 C ATOM 963 O LEU A 65 -4.927 20.962 -30.856 1.00 44.11 O ATOM 964 CB LEU A 65 -5.294 23.250 -28.755 1.00 15.41 C ATOM 965 CG LEU A 65 -5.561 24.668 -28.248 1.00 51.45 C ATOM 966 CD1 LEU A 65 -6.796 25.251 -28.918 1.00 60.11 C ATOM 967 CD2 LEU A 65 -5.720 24.673 -26.735 1.00 54.11 C ATOM 0 H LEU A 65 -5.645 23.185 -31.663 1.00 23.42 H new ATOM 0 HA LEU A 65 -3.446 23.640 -29.780 1.00 41.10 H new ATOM 0 HB2 LEU A 65 -6.251 22.783 -28.988 1.00 15.41 H new ATOM 0 HB3 LEU A 65 -4.847 22.674 -27.945 1.00 15.41 H new ATOM 0 HG LEU A 65 -4.705 25.292 -28.505 1.00 51.45 H new ATOM 0 HD11 LEU A 65 -6.970 26.260 -28.545 1.00 60.11 H new ATOM 0 HD12 LEU A 65 -6.643 25.284 -29.997 1.00 60.11 H new ATOM 0 HD13 LEU A 65 -7.661 24.627 -28.693 1.00 60.11 H new ATOM 0 HD21 LEU A 65 -5.909 25.690 -26.392 1.00 54.11 H new ATOM 0 HD22 LEU A 65 -6.558 24.034 -26.455 1.00 54.11 H new ATOM 0 HD23 LEU A 65 -4.807 24.298 -26.272 1.00 54.11 H new ATOM 979 N THR A 66 -2.917 21.211 -29.875 1.00 45.04 N ATOM 980 CA THR A 66 -2.516 19.827 -30.095 1.00 50.14 C ATOM 981 C THR A 66 -1.929 19.216 -28.828 1.00 13.41 C ATOM 982 O THR A 66 -0.877 19.643 -28.351 1.00 22.33 O ATOM 983 CB THR A 66 -1.482 19.715 -31.232 1.00 10.33 C ATOM 984 OG1 THR A 66 -1.150 21.019 -31.722 1.00 53.12 O ATOM 985 CG2 THR A 66 -2.019 18.861 -32.370 1.00 52.21 C ATOM 0 H THR A 66 -2.220 21.780 -29.394 1.00 45.04 H new ATOM 0 HA THR A 66 -3.415 19.279 -30.376 1.00 50.14 H new ATOM 0 HB THR A 66 -0.586 19.238 -30.833 1.00 10.33 H new ATOM 0 HG1 THR A 66 -0.491 20.940 -32.443 1.00 53.12 H new ATOM 0 HG21 THR A 66 -1.271 18.797 -33.161 1.00 52.21 H new ATOM 0 HG22 THR A 66 -2.243 17.861 -32.000 1.00 52.21 H new ATOM 0 HG23 THR A 66 -2.928 19.313 -32.766 1.00 52.21 H new ATOM 993 N LEU A 67 -2.615 18.216 -28.287 1.00 32.32 N ATOM 994 CA LEU A 67 -2.161 17.545 -27.074 1.00 32.15 C ATOM 995 C LEU A 67 -1.429 16.249 -27.409 1.00 54.30 C ATOM 996 O LEU A 67 -1.896 15.454 -28.226 1.00 3.15 O ATOM 997 CB LEU A 67 -3.349 17.250 -26.155 1.00 45.32 C ATOM 998 CG LEU A 67 -4.060 15.916 -26.385 1.00 1.31 C ATOM 999 CD1 LEU A 67 -3.376 14.805 -25.604 1.00 45.11 C ATOM 1000 CD2 LEU A 67 -5.527 16.020 -25.994 1.00 61.10 C ATOM 0 H LEU A 67 -3.488 17.852 -28.669 1.00 32.32 H new ATOM 0 HA LEU A 67 -1.467 18.210 -26.559 1.00 32.15 H new ATOM 0 HB2 LEU A 67 -3.000 17.280 -25.123 1.00 45.32 H new ATOM 0 HB3 LEU A 67 -4.078 18.052 -26.268 1.00 45.32 H new ATOM 0 HG LEU A 67 -4.003 15.674 -27.446 1.00 1.31 H new ATOM 0 HD11 LEU A 67 -3.896 13.863 -25.780 1.00 45.11 H new ATOM 0 HD12 LEU A 67 -2.340 14.714 -25.931 1.00 45.11 H new ATOM 0 HD13 LEU A 67 -3.401 15.040 -24.540 1.00 45.11 H new ATOM 0 HD21 LEU A 67 -6.018 15.062 -26.164 1.00 61.10 H new ATOM 0 HD22 LEU A 67 -5.605 16.285 -24.940 1.00 61.10 H new ATOM 0 HD23 LEU A 67 -6.011 16.788 -26.598 1.00 61.10 H new ATOM 1012 N HIS A 68 -0.281 16.042 -26.772 1.00 52.20 N ATOM 1013 CA HIS A 68 0.514 14.841 -27.001 1.00 1.12 C ATOM 1014 C HIS A 68 0.751 14.089 -25.694 1.00 42.44 C ATOM 1015 O HIS A 68 1.298 14.642 -24.739 1.00 74.23 O ATOM 1016 CB HIS A 68 1.853 15.205 -27.643 1.00 51.14 C ATOM 1017 CG HIS A 68 1.872 15.027 -29.130 1.00 73.34 C ATOM 1018 ND1 HIS A 68 1.316 15.937 -30.005 1.00 32.44 N ATOM 1019 CD2 HIS A 68 2.385 14.036 -29.897 1.00 3.22 C ATOM 1020 CE1 HIS A 68 1.485 15.513 -31.244 1.00 61.24 C ATOM 1021 NE2 HIS A 68 2.132 14.362 -31.207 1.00 31.25 N ATOM 0 H HIS A 68 0.119 16.690 -26.094 1.00 52.20 H new ATOM 0 HA HIS A 68 -0.041 14.192 -27.678 1.00 1.12 H new ATOM 0 HB2 HIS A 68 2.090 16.242 -27.406 1.00 51.14 H new ATOM 0 HB3 HIS A 68 2.637 14.590 -27.202 1.00 51.14 H new ATOM 0 HD2 HIS A 68 2.898 13.153 -29.544 1.00 3.22 H new ATOM 0 HE1 HIS A 68 1.151 16.021 -32.136 1.00 61.24 H new ATOM 0 HE2 HIS A 68 2.400 13.806 -32.019 1.00 31.25 H new ATOM 1029 N TYR A 69 0.336 12.828 -25.660 1.00 2.12 N ATOM 1030 CA TYR A 69 0.500 12.002 -24.470 1.00 24.14 C ATOM 1031 C TYR A 69 0.943 10.590 -24.843 1.00 41.51 C ATOM 1032 O TYR A 69 0.214 9.856 -25.510 1.00 3.42 O ATOM 1033 CB TYR A 69 -0.807 11.946 -23.678 1.00 31.51 C ATOM 1034 CG TYR A 69 -0.704 11.153 -22.394 1.00 71.04 C ATOM 1035 CD1 TYR A 69 -0.764 9.765 -22.406 1.00 32.24 C ATOM 1036 CD2 TYR A 69 -0.548 11.792 -21.171 1.00 22.14 C ATOM 1037 CE1 TYR A 69 -0.671 9.036 -21.235 1.00 53.34 C ATOM 1038 CE2 TYR A 69 -0.453 11.072 -19.996 1.00 25.42 C ATOM 1039 CZ TYR A 69 -0.515 9.694 -20.033 1.00 40.23 C ATOM 1040 OH TYR A 69 -0.422 8.973 -18.865 1.00 1.11 O ATOM 0 H TYR A 69 -0.116 12.355 -26.443 1.00 2.12 H new ATOM 0 HA TYR A 69 1.274 12.454 -23.849 1.00 24.14 H new ATOM 0 HB2 TYR A 69 -1.123 12.962 -23.443 1.00 31.51 H new ATOM 0 HB3 TYR A 69 -1.583 11.507 -24.305 1.00 31.51 H new ATOM 0 HD1 TYR A 69 -0.885 9.247 -23.346 1.00 32.24 H new ATOM 0 HD2 TYR A 69 -0.500 12.870 -21.138 1.00 22.14 H new ATOM 0 HE1 TYR A 69 -0.720 7.957 -21.261 1.00 53.34 H new ATOM 0 HE2 TYR A 69 -0.331 11.585 -19.053 1.00 25.42 H new ATOM 0 HH TYR A 69 -0.314 9.587 -18.109 1.00 1.11 H new ATOM 1050 N GLN A 70 2.142 10.219 -24.407 1.00 65.23 N ATOM 1051 CA GLN A 70 2.683 8.896 -24.695 1.00 61.35 C ATOM 1052 C GLN A 70 2.890 8.707 -26.195 1.00 22.14 C ATOM 1053 O GLN A 70 3.980 8.942 -26.715 1.00 72.44 O ATOM 1054 CB GLN A 70 1.748 7.811 -24.157 1.00 42.22 C ATOM 1055 CG GLN A 70 2.158 7.277 -22.794 1.00 74.42 C ATOM 1056 CD GLN A 70 3.130 6.118 -22.890 1.00 30.40 C ATOM 1057 OE1 GLN A 70 4.225 6.163 -22.329 1.00 20.14 O ATOM 1058 NE2 GLN A 70 2.734 5.070 -23.604 1.00 23.15 N ATOM 0 H GLN A 70 2.757 10.815 -23.853 1.00 65.23 H new ATOM 0 HA GLN A 70 3.650 8.811 -24.199 1.00 61.35 H new ATOM 0 HB2 GLN A 70 0.737 8.214 -24.091 1.00 42.22 H new ATOM 0 HB3 GLN A 70 1.717 6.985 -24.867 1.00 42.22 H new ATOM 0 HG2 GLN A 70 2.613 8.081 -22.215 1.00 74.42 H new ATOM 0 HG3 GLN A 70 1.269 6.957 -22.251 1.00 74.42 H new ATOM 0 HE21 GLN A 70 1.818 5.075 -24.052 1.00 23.15 H new ATOM 0 HE22 GLN A 70 3.346 4.260 -23.704 1.00 23.15 H new ATOM 1067 N GLY A 71 1.836 8.281 -26.884 1.00 30.52 N ATOM 1068 CA GLY A 71 1.923 8.067 -28.317 1.00 24.15 C ATOM 1069 C GLY A 71 0.663 8.491 -29.044 1.00 31.11 C ATOM 1070 O GLY A 71 0.516 8.246 -30.242 1.00 23.32 O ATOM 0 H GLY A 71 0.923 8.080 -26.476 1.00 30.52 H new ATOM 0 HA2 GLY A 71 2.772 8.624 -28.713 1.00 24.15 H new ATOM 0 HA3 GLY A 71 2.114 7.012 -28.513 1.00 24.15 H new ATOM 1074 N HIS A 72 -0.251 9.128 -28.319 1.00 32.32 N ATOM 1075 CA HIS A 72 -1.507 9.586 -28.903 1.00 21.24 C ATOM 1076 C HIS A 72 -1.532 11.107 -29.012 1.00 41.43 C ATOM 1077 O HIS A 72 -1.111 11.812 -28.095 1.00 71.52 O ATOM 1078 CB HIS A 72 -2.690 9.104 -28.063 1.00 31.05 C ATOM 1079 CG HIS A 72 -3.627 8.204 -28.808 1.00 23.22 C ATOM 1080 ND1 HIS A 72 -4.679 8.673 -29.566 1.00 4.53 N ATOM 1081 CD2 HIS A 72 -3.664 6.855 -28.910 1.00 72.42 C ATOM 1082 CE1 HIS A 72 -5.324 7.652 -30.100 1.00 43.24 C ATOM 1083 NE2 HIS A 72 -4.728 6.537 -29.719 1.00 22.14 N ATOM 0 H HIS A 72 -0.146 9.339 -27.327 1.00 32.32 H new ATOM 0 HA HIS A 72 -1.588 9.166 -29.906 1.00 21.24 H new ATOM 0 HB2 HIS A 72 -2.312 8.576 -27.187 1.00 31.05 H new ATOM 0 HB3 HIS A 72 -3.243 9.970 -27.699 1.00 31.05 H new ATOM 0 HD2 HIS A 72 -2.984 6.158 -28.443 1.00 72.42 H new ATOM 0 HE1 HIS A 72 -6.192 7.718 -30.740 1.00 43.24 H new ATOM 0 HE2 HIS A 72 -5.011 5.593 -29.982 1.00 22.14 H new ATOM 1091 N GLU A 73 -2.027 11.607 -30.141 1.00 30.44 N ATOM 1092 CA GLU A 73 -2.105 13.045 -30.370 1.00 24.44 C ATOM 1093 C GLU A 73 -3.518 13.456 -30.771 1.00 12.12 C ATOM 1094 O GLU A 73 -4.157 12.802 -31.595 1.00 33.54 O ATOM 1095 CB GLU A 73 -1.112 13.465 -31.455 1.00 62.23 C ATOM 1096 CG GLU A 73 -1.373 12.814 -32.804 1.00 2.55 C ATOM 1097 CD GLU A 73 -0.113 12.255 -33.435 1.00 41.01 C ATOM 1098 OE1 GLU A 73 0.855 13.024 -33.610 1.00 64.32 O ATOM 1099 OE2 GLU A 73 -0.096 11.048 -33.754 1.00 24.40 O ATOM 0 H GLU A 73 -2.380 11.038 -30.910 1.00 30.44 H new ATOM 0 HA GLU A 73 -1.849 13.550 -29.439 1.00 24.44 H new ATOM 0 HB2 GLU A 73 -1.149 14.548 -31.570 1.00 62.23 H new ATOM 0 HB3 GLU A 73 -0.103 13.214 -31.129 1.00 62.23 H new ATOM 0 HG2 GLU A 73 -2.100 12.011 -32.681 1.00 2.55 H new ATOM 0 HG3 GLU A 73 -1.818 13.547 -33.477 1.00 2.55 H new ATOM 1106 N VAL A 74 -4.001 14.546 -30.182 1.00 22.44 N ATOM 1107 CA VAL A 74 -5.338 15.046 -30.477 1.00 31.10 C ATOM 1108 C VAL A 74 -5.299 16.517 -30.876 1.00 61.32 C ATOM 1109 O VAL A 74 -4.509 17.295 -30.342 1.00 21.23 O ATOM 1110 CB VAL A 74 -6.280 14.878 -29.270 1.00 25.14 C ATOM 1111 CG1 VAL A 74 -7.714 15.200 -29.662 1.00 25.15 C ATOM 1112 CG2 VAL A 74 -6.176 13.469 -28.706 1.00 22.14 C ATOM 0 H VAL A 74 -3.486 15.099 -29.498 1.00 22.44 H new ATOM 0 HA VAL A 74 -5.719 14.456 -31.310 1.00 31.10 H new ATOM 0 HB VAL A 74 -5.976 15.579 -28.493 1.00 25.14 H new ATOM 0 HG11 VAL A 74 -8.365 15.076 -28.796 1.00 25.15 H new ATOM 0 HG12 VAL A 74 -7.772 16.230 -30.015 1.00 25.15 H new ATOM 0 HG13 VAL A 74 -8.034 14.526 -30.456 1.00 25.15 H new ATOM 0 HG21 VAL A 74 -6.848 13.368 -27.854 1.00 22.14 H new ATOM 0 HG22 VAL A 74 -6.454 12.748 -29.475 1.00 22.14 H new ATOM 0 HG23 VAL A 74 -5.152 13.280 -28.385 1.00 22.14 H new ATOM 1122 N SER A 75 -6.157 16.891 -31.819 1.00 54.33 N ATOM 1123 CA SER A 75 -6.219 18.269 -32.293 1.00 71.13 C ATOM 1124 C SER A 75 -7.617 18.848 -32.098 1.00 42.43 C ATOM 1125 O SER A 75 -8.619 18.154 -32.270 1.00 21.14 O ATOM 1126 CB SER A 75 -5.826 18.340 -33.770 1.00 55.43 C ATOM 1127 OG SER A 75 -6.627 19.280 -34.466 1.00 12.11 O ATOM 0 H SER A 75 -6.819 16.260 -32.270 1.00 54.33 H new ATOM 0 HA SER A 75 -5.515 18.861 -31.708 1.00 71.13 H new ATOM 0 HB2 SER A 75 -4.775 18.617 -33.857 1.00 55.43 H new ATOM 0 HB3 SER A 75 -5.935 17.356 -34.226 1.00 55.43 H new ATOM 0 HG SER A 75 -6.355 19.308 -35.407 1.00 12.11 H new ATOM 1133 N PHE A 76 -7.676 20.126 -31.739 1.00 3.44 N ATOM 1134 CA PHE A 76 -8.950 20.801 -31.519 1.00 22.23 C ATOM 1135 C PHE A 76 -8.785 22.315 -31.603 1.00 51.43 C ATOM 1136 O PHE A 76 -7.667 22.826 -31.681 1.00 75.32 O ATOM 1137 CB PHE A 76 -9.527 20.414 -30.155 1.00 41.53 C ATOM 1138 CG PHE A 76 -8.482 20.011 -29.155 1.00 30.23 C ATOM 1139 CD1 PHE A 76 -7.867 20.960 -28.355 1.00 5.12 C ATOM 1140 CD2 PHE A 76 -8.116 18.682 -29.014 1.00 2.05 C ATOM 1141 CE1 PHE A 76 -6.904 20.591 -27.434 1.00 12.30 C ATOM 1142 CE2 PHE A 76 -7.154 18.307 -28.094 1.00 13.10 C ATOM 1143 CZ PHE A 76 -6.549 19.263 -27.302 1.00 44.14 C ATOM 0 H PHE A 76 -6.856 20.715 -31.594 1.00 3.44 H new ATOM 0 HA PHE A 76 -9.640 20.485 -32.301 1.00 22.23 H new ATOM 0 HB2 PHE A 76 -10.094 21.256 -29.757 1.00 41.53 H new ATOM 0 HB3 PHE A 76 -10.229 19.591 -30.287 1.00 41.53 H new ATOM 0 HD1 PHE A 76 -8.143 22.000 -28.452 1.00 5.12 H new ATOM 0 HD2 PHE A 76 -8.587 17.930 -29.630 1.00 2.05 H new ATOM 0 HE1 PHE A 76 -6.430 21.341 -26.818 1.00 12.30 H new ATOM 0 HE2 PHE A 76 -6.876 17.268 -27.995 1.00 13.10 H new ATOM 0 HZ PHE A 76 -5.800 18.973 -26.581 1.00 44.14 H new ATOM 1153 N ASP A 77 -9.906 23.028 -31.588 1.00 32.12 N ATOM 1154 CA ASP A 77 -9.888 24.484 -31.662 1.00 44.22 C ATOM 1155 C ASP A 77 -10.462 25.101 -30.391 1.00 34.44 C ATOM 1156 O ASP A 77 -11.286 24.490 -29.710 1.00 32.14 O ATOM 1157 CB ASP A 77 -10.680 24.964 -32.879 1.00 45.25 C ATOM 1158 CG ASP A 77 -11.990 24.221 -33.047 1.00 15.41 C ATOM 1159 OD1 ASP A 77 -12.778 24.181 -32.078 1.00 50.33 O ATOM 1160 OD2 ASP A 77 -12.229 23.681 -34.147 1.00 14.01 O ATOM 0 H ASP A 77 -10.839 22.621 -31.525 1.00 32.12 H new ATOM 0 HA ASP A 77 -8.851 24.804 -31.763 1.00 44.22 H new ATOM 0 HB2 ASP A 77 -10.881 26.031 -32.780 1.00 45.25 H new ATOM 0 HB3 ASP A 77 -10.075 24.835 -33.776 1.00 45.25 H new ATOM 1165 N VAL A 78 -10.021 26.314 -30.076 1.00 13.53 N ATOM 1166 CA VAL A 78 -10.492 27.014 -28.886 1.00 24.10 C ATOM 1167 C VAL A 78 -11.174 28.326 -29.254 1.00 52.50 C ATOM 1168 O VAL A 78 -10.709 29.056 -30.131 1.00 12.45 O ATOM 1169 CB VAL A 78 -9.334 27.305 -27.912 1.00 55.20 C ATOM 1170 CG1 VAL A 78 -8.374 28.321 -28.512 1.00 31.21 C ATOM 1171 CG2 VAL A 78 -9.873 27.793 -26.576 1.00 15.41 C ATOM 0 H VAL A 78 -9.338 26.833 -30.628 1.00 13.53 H new ATOM 0 HA VAL A 78 -11.213 26.359 -28.397 1.00 24.10 H new ATOM 0 HB VAL A 78 -8.785 26.379 -27.741 1.00 55.20 H new ATOM 0 HG11 VAL A 78 -7.563 28.514 -27.810 1.00 31.21 H new ATOM 0 HG12 VAL A 78 -7.963 27.928 -29.442 1.00 31.21 H new ATOM 0 HG13 VAL A 78 -8.907 29.250 -28.715 1.00 31.21 H new ATOM 0 HG21 VAL A 78 -9.042 27.994 -25.900 1.00 15.41 H new ATOM 0 HG22 VAL A 78 -10.447 28.707 -26.727 1.00 15.41 H new ATOM 0 HG23 VAL A 78 -10.517 27.028 -26.142 1.00 15.41 H new ATOM 1181 N LEU A 79 -12.279 28.622 -28.579 1.00 35.41 N ATOM 1182 CA LEU A 79 -13.027 29.848 -28.834 1.00 34.21 C ATOM 1183 C LEU A 79 -13.538 30.455 -27.531 1.00 52.13 C ATOM 1184 O LEU A 79 -14.070 29.751 -26.673 1.00 13.44 O ATOM 1185 CB LEU A 79 -14.201 29.566 -29.774 1.00 13.55 C ATOM 1186 CG LEU A 79 -13.848 28.924 -31.115 1.00 60.32 C ATOM 1187 CD1 LEU A 79 -13.789 27.410 -30.983 1.00 24.13 C ATOM 1188 CD2 LEU A 79 -14.855 29.328 -32.182 1.00 42.51 C ATOM 0 H LEU A 79 -12.677 28.029 -27.850 1.00 35.41 H new ATOM 0 HA LEU A 79 -12.354 30.563 -29.307 1.00 34.21 H new ATOM 0 HB2 LEU A 79 -14.906 28.915 -29.257 1.00 13.55 H new ATOM 0 HB3 LEU A 79 -14.718 30.506 -29.969 1.00 13.55 H new ATOM 0 HG LEU A 79 -12.864 29.281 -31.418 1.00 60.32 H new ATOM 0 HD11 LEU A 79 -13.536 26.970 -31.948 1.00 24.13 H new ATOM 0 HD12 LEU A 79 -13.029 27.138 -30.250 1.00 24.13 H new ATOM 0 HD13 LEU A 79 -14.759 27.035 -30.656 1.00 24.13 H new ATOM 0 HD21 LEU A 79 -14.587 28.861 -33.130 1.00 42.51 H new ATOM 0 HD22 LEU A 79 -15.851 29.000 -31.885 1.00 42.51 H new ATOM 0 HD23 LEU A 79 -14.849 30.412 -32.297 1.00 42.51 H new ATOM 1200 N VAL A 80 -13.375 31.767 -27.392 1.00 24.14 N ATOM 1201 CA VAL A 80 -13.822 32.470 -26.195 1.00 50.03 C ATOM 1202 C VAL A 80 -15.147 33.184 -26.441 1.00 24.05 C ATOM 1203 O VAL A 80 -15.344 33.807 -27.484 1.00 30.41 O ATOM 1204 CB VAL A 80 -12.776 33.498 -25.725 1.00 15.53 C ATOM 1205 CG1 VAL A 80 -12.669 34.644 -26.719 1.00 52.33 C ATOM 1206 CG2 VAL A 80 -13.126 34.016 -24.338 1.00 0.43 C ATOM 0 H VAL A 80 -12.937 32.364 -28.093 1.00 24.14 H new ATOM 0 HA VAL A 80 -13.956 31.719 -25.417 1.00 50.03 H new ATOM 0 HB VAL A 80 -11.806 33.005 -25.670 1.00 15.53 H new ATOM 0 HG11 VAL A 80 -11.925 35.360 -26.370 1.00 52.33 H new ATOM 0 HG12 VAL A 80 -12.369 34.255 -27.692 1.00 52.33 H new ATOM 0 HG13 VAL A 80 -13.636 35.139 -26.808 1.00 52.33 H new ATOM 0 HG21 VAL A 80 -12.377 34.741 -24.021 1.00 0.43 H new ATOM 0 HG22 VAL A 80 -14.105 34.494 -24.364 1.00 0.43 H new ATOM 0 HG23 VAL A 80 -13.147 33.184 -23.634 1.00 0.43 H new ATOM 1216 N SER A 81 -16.052 33.090 -25.472 1.00 24.34 N ATOM 1217 CA SER A 81 -17.360 33.724 -25.583 1.00 41.03 C ATOM 1218 C SER A 81 -17.534 34.802 -24.517 1.00 61.34 C ATOM 1219 O SER A 81 -16.847 34.817 -23.496 1.00 2.21 O ATOM 1220 CB SER A 81 -18.470 32.679 -25.454 1.00 24.10 C ATOM 1221 OG SER A 81 -18.853 32.183 -26.725 1.00 34.33 O ATOM 0 H SER A 81 -15.903 32.581 -24.601 1.00 24.34 H new ATOM 0 HA SER A 81 -17.426 34.194 -26.564 1.00 41.03 H new ATOM 0 HB2 SER A 81 -18.128 31.856 -24.827 1.00 24.10 H new ATOM 0 HB3 SER A 81 -19.334 33.121 -24.957 1.00 24.10 H new ATOM 0 HG SER A 81 -19.562 31.516 -26.616 1.00 34.33 H new ATOM 1227 N PRO A 82 -18.475 35.726 -24.760 1.00 34.33 N ATOM 1228 CA PRO A 82 -18.763 36.824 -23.833 1.00 13.41 C ATOM 1229 C PRO A 82 -19.429 36.341 -22.549 1.00 72.33 C ATOM 1230 O PRO A 82 -20.556 35.846 -22.571 1.00 33.35 O ATOM 1231 CB PRO A 82 -19.719 37.717 -24.628 1.00 13.54 C ATOM 1232 CG PRO A 82 -20.368 36.801 -25.607 1.00 2.11 C ATOM 1233 CD PRO A 82 -19.332 35.769 -25.957 1.00 20.33 C ATOM 0 HA PRO A 82 -17.855 37.331 -23.507 1.00 13.41 H new ATOM 0 HB2 PRO A 82 -20.456 38.186 -23.976 1.00 13.54 H new ATOM 0 HB3 PRO A 82 -19.182 38.520 -25.133 1.00 13.54 H new ATOM 0 HG2 PRO A 82 -21.254 36.334 -25.177 1.00 2.11 H new ATOM 0 HG3 PRO A 82 -20.693 37.345 -26.494 1.00 2.11 H new ATOM 0 HD2 PRO A 82 -19.785 34.799 -26.162 1.00 20.33 H new ATOM 0 HD3 PRO A 82 -18.767 36.052 -26.845 1.00 20.33 H new ATOM 1241 N LYS A 83 -18.726 36.487 -21.432 1.00 4.23 N ATOM 1242 CA LYS A 83 -19.249 36.067 -20.137 1.00 44.22 C ATOM 1243 C LYS A 83 -19.741 34.624 -20.191 1.00 43.43 C ATOM 1244 O LYS A 83 -19.498 33.912 -21.165 1.00 53.32 O ATOM 1245 CB LYS A 83 -20.389 36.990 -19.701 1.00 3.02 C ATOM 1246 CG LYS A 83 -20.288 37.439 -18.253 1.00 62.03 C ATOM 1247 CD LYS A 83 -21.544 38.168 -17.807 1.00 30.34 C ATOM 1248 CE LYS A 83 -21.271 39.641 -17.547 1.00 1.24 C ATOM 1249 NZ LYS A 83 -22.216 40.213 -16.548 1.00 31.33 N ATOM 0 H LYS A 83 -17.791 36.894 -21.397 1.00 4.23 H new ATOM 0 HA LYS A 83 -18.440 36.129 -19.409 1.00 44.22 H new ATOM 0 HB2 LYS A 83 -20.400 37.869 -20.345 1.00 3.02 H new ATOM 0 HB3 LYS A 83 -21.338 36.475 -19.848 1.00 3.02 H new ATOM 0 HG2 LYS A 83 -20.122 36.572 -17.613 1.00 62.03 H new ATOM 0 HG3 LYS A 83 -19.424 38.093 -18.133 1.00 62.03 H new ATOM 0 HD2 LYS A 83 -22.314 38.069 -18.572 1.00 30.34 H new ATOM 0 HD3 LYS A 83 -21.933 37.704 -16.901 1.00 30.34 H new ATOM 0 HE2 LYS A 83 -20.248 39.763 -17.191 1.00 1.24 H new ATOM 0 HE3 LYS A 83 -21.351 40.196 -18.482 1.00 1.24 H new ATOM 0 HZ1 LYS A 83 -21.997 41.219 -16.399 1.00 31.33 H new ATOM 0 HZ2 LYS A 83 -23.191 40.120 -16.899 1.00 31.33 H new ATOM 0 HZ3 LYS A 83 -22.122 39.701 -15.648 1.00 31.33 H new ATOM 1263 N ALA A 84 -20.434 34.201 -19.140 1.00 21.54 N ATOM 1264 CA ALA A 84 -20.963 32.844 -19.070 1.00 1.13 C ATOM 1265 C ALA A 84 -21.885 32.676 -17.867 1.00 21.22 C ATOM 1266 O ALA A 84 -21.817 31.673 -17.156 1.00 51.24 O ATOM 1267 CB ALA A 84 -19.825 31.836 -19.010 1.00 3.11 C ATOM 0 H ALA A 84 -20.643 34.778 -18.325 1.00 21.54 H new ATOM 0 HA ALA A 84 -21.548 32.662 -19.972 1.00 1.13 H new ATOM 0 HB1 ALA A 84 -20.235 30.827 -18.958 1.00 3.11 H new ATOM 0 HB2 ALA A 84 -19.207 31.931 -19.903 1.00 3.11 H new ATOM 0 HB3 ALA A 84 -19.217 32.026 -18.126 1.00 3.11 H new ATOM 1273 N ALA A 85 -22.745 33.664 -17.644 1.00 35.41 N ATOM 1274 CA ALA A 85 -23.682 33.624 -16.528 1.00 22.35 C ATOM 1275 C ALA A 85 -24.800 34.644 -16.712 1.00 73.44 C ATOM 1276 O ALA A 85 -24.703 35.542 -17.550 1.00 33.14 O ATOM 1277 CB ALA A 85 -22.951 33.871 -15.216 1.00 43.34 C ATOM 0 H ALA A 85 -22.812 34.502 -18.221 1.00 35.41 H new ATOM 0 HA ALA A 85 -24.132 32.632 -16.500 1.00 22.35 H new ATOM 0 HB1 ALA A 85 -23.663 33.838 -14.391 1.00 43.34 H new ATOM 0 HB2 ALA A 85 -22.193 33.101 -15.072 1.00 43.34 H new ATOM 0 HB3 ALA A 85 -22.473 34.850 -15.244 1.00 43.34 H new ATOM 1283 N LEU A 86 -25.862 34.499 -15.927 1.00 50.02 N ATOM 1284 CA LEU A 86 -27.000 35.408 -16.005 1.00 35.13 C ATOM 1285 C LEU A 86 -27.413 35.884 -14.616 1.00 2.05 C ATOM 1286 O LEU A 86 -27.625 37.075 -14.395 1.00 12.42 O ATOM 1287 CB LEU A 86 -28.181 34.720 -16.692 1.00 14.10 C ATOM 1288 CG LEU A 86 -28.619 33.383 -16.095 1.00 35.55 C ATOM 1289 CD1 LEU A 86 -29.813 33.575 -15.172 1.00 52.31 C ATOM 1290 CD2 LEU A 86 -28.951 32.388 -17.198 1.00 41.50 C ATOM 0 H LEU A 86 -25.959 33.761 -15.230 1.00 50.02 H new ATOM 0 HA LEU A 86 -26.700 36.276 -16.592 1.00 35.13 H new ATOM 0 HB2 LEU A 86 -29.033 35.400 -16.673 1.00 14.10 H new ATOM 0 HB3 LEU A 86 -27.924 34.561 -17.739 1.00 14.10 H new ATOM 0 HG LEU A 86 -27.792 32.982 -15.508 1.00 35.55 H new ATOM 0 HD11 LEU A 86 -30.110 32.612 -14.757 1.00 52.31 H new ATOM 0 HD12 LEU A 86 -29.541 34.251 -14.362 1.00 52.31 H new ATOM 0 HD13 LEU A 86 -30.644 33.999 -15.736 1.00 52.31 H new ATOM 0 HD21 LEU A 86 -29.261 31.442 -16.754 1.00 41.50 H new ATOM 0 HD22 LEU A 86 -29.760 32.783 -17.812 1.00 41.50 H new ATOM 0 HD23 LEU A 86 -28.070 32.226 -17.819 1.00 41.50 H new ATOM 1302 N ASN A 87 -27.522 34.944 -13.682 1.00 0.52 N ATOM 1303 CA ASN A 87 -27.907 35.268 -12.313 1.00 52.30 C ATOM 1304 C ASN A 87 -26.676 35.467 -11.434 1.00 31.51 C ATOM 1305 O ASN A 87 -25.772 34.632 -11.417 1.00 64.53 O ATOM 1306 CB ASN A 87 -28.789 34.160 -11.733 1.00 45.13 C ATOM 1307 CG ASN A 87 -30.184 34.648 -11.396 1.00 10.33 C ATOM 1308 OD1 ASN A 87 -30.720 35.538 -12.058 1.00 23.55 O ATOM 1309 ND2 ASN A 87 -30.780 34.067 -10.361 1.00 4.33 N ATOM 0 H ASN A 87 -27.349 33.953 -13.848 1.00 0.52 H new ATOM 0 HA ASN A 87 -28.472 36.200 -12.332 1.00 52.30 H new ATOM 0 HB2 ASN A 87 -28.857 33.341 -12.449 1.00 45.13 H new ATOM 0 HB3 ASN A 87 -28.320 33.759 -10.834 1.00 45.13 H new ATOM 0 HD21 ASN A 87 -31.719 34.354 -10.086 1.00 4.33 H new ATOM 0 HD22 ASN A 87 -30.298 33.334 -9.841 1.00 4.33 H new ATOM 1316 N ASP A 88 -26.649 36.577 -10.705 1.00 34.54 N ATOM 1317 CA ASP A 88 -25.531 36.884 -9.821 1.00 45.33 C ATOM 1318 C ASP A 88 -25.512 35.945 -8.620 1.00 34.33 C ATOM 1319 O ASP A 88 -26.328 35.028 -8.525 1.00 64.10 O ATOM 1320 CB ASP A 88 -25.611 38.336 -9.348 1.00 14.42 C ATOM 1321 CG ASP A 88 -25.894 39.301 -10.483 1.00 65.31 C ATOM 1322 OD1 ASP A 88 -25.391 39.064 -11.601 1.00 65.30 O ATOM 1323 OD2 ASP A 88 -26.617 40.293 -10.253 1.00 64.14 O ATOM 0 H ASP A 88 -27.389 37.279 -10.709 1.00 34.54 H new ATOM 0 HA ASP A 88 -24.608 36.743 -10.383 1.00 45.33 H new ATOM 0 HB2 ASP A 88 -26.393 38.427 -8.594 1.00 14.42 H new ATOM 0 HB3 ASP A 88 -24.672 38.611 -8.867 1.00 14.42 H new ATOM 1328 N GLU A 89 -24.576 36.179 -7.705 1.00 54.43 N ATOM 1329 CA GLU A 89 -24.452 35.352 -6.511 1.00 43.10 C ATOM 1330 C GLU A 89 -24.136 36.207 -5.287 1.00 44.33 C ATOM 1331 O GLU A 89 -23.648 35.704 -4.276 1.00 13.13 O ATOM 1332 CB GLU A 89 -23.360 34.298 -6.706 1.00 32.42 C ATOM 1333 CG GLU A 89 -21.972 34.886 -6.893 1.00 1.11 C ATOM 1334 CD GLU A 89 -20.906 33.822 -7.067 1.00 23.14 C ATOM 1335 OE1 GLU A 89 -20.819 33.245 -8.171 1.00 20.43 O ATOM 1336 OE2 GLU A 89 -20.159 33.566 -6.099 1.00 42.13 O ATOM 0 H GLU A 89 -23.893 36.934 -7.768 1.00 54.43 H new ATOM 0 HA GLU A 89 -25.406 34.851 -6.346 1.00 43.10 H new ATOM 0 HB2 GLU A 89 -23.350 33.633 -5.842 1.00 32.42 H new ATOM 0 HB3 GLU A 89 -23.607 33.688 -7.575 1.00 32.42 H new ATOM 0 HG2 GLU A 89 -21.973 35.540 -7.765 1.00 1.11 H new ATOM 0 HG3 GLU A 89 -21.725 35.505 -6.031 1.00 1.11 H new TER 1343 GLU A 89