USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 908 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 61 THR OG1 : rot 38:sc= -2.21! USER MOD Set 1.2: A 62 HIS : no HD1:sc= -7.79! C(o=-10!,f=-8.4!) USER MOD Single : A 1 GLY N :NH3+ 143:sc= 1.31 (180deg=0.922) USER MOD Single : A 2 SER OG : rot -143:sc= 0.2 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.946 USER MOD Single : A 17 GLN : amide:sc=-0.00461 X(o=-0.0046,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -155:sc= 1.2 (180deg=1.07) USER MOD Single : A 33 MET CE :methyl -149:sc= -0.274 (180deg=-2.9!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00986 USER MOD Single : A 42 MET CE :methyl -159:sc= -2.01 (180deg=-2.59) USER MOD Single : A 48 LYS NZ :NH3+ -110:sc= 1.02 (180deg=-1.41!) USER MOD Single : A 54 ASN : amide:sc= 0.436 K(o=0.44,f=-5.6!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -4.03! C(o=-4!,f=-4.5!) USER MOD Single : A 68 ASN : amide:sc= -4.2 K(o=-4.2,f=-0.68) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0637 USER MOD Single : A 78 GLN : amide:sc= -0.0606 X(o=-0.061,f=-0.25) USER MOD Single : A 80 GLN : amide:sc= -8.82! C(o=-8.8!,f=-7!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc=-0.00355 X(o=-0.0036,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 94 SER OG : rot -93:sc= -0.281 USER MOD Single : A 99 CYS SG : rot 126:sc= -4.59! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -170:sc= -0.0305 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HE2:sc= -5.4! C(o=-5.4!,f=-7.9!) USER MOD Single : A 113 GLN : amide:sc= -2.13 K(o=-2.1,f=-3.9!) USER MOD Single : A 115 SER OG : rot 180:sc= -0.0897 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.124 -5.407 3.715 1.00 0.00 N ATOM 2 CA GLY A 1 -14.016 -5.455 2.569 1.00 0.00 C ATOM 3 C GLY A 1 -13.898 -4.182 1.729 1.00 0.00 C ATOM 4 O GLY A 1 -13.207 -3.240 2.115 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.586 -5.852 4.534 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.246 -5.918 3.493 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.901 -4.416 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.778 -6.324 1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.044 -5.577 2.909 1.00 0.00 H new ATOM 8 N SER A 2 -14.584 -4.193 0.595 1.00 0.00 N ATOM 9 CA SER A 2 -14.565 -3.051 -0.303 1.00 0.00 C ATOM 10 C SER A 2 -15.955 -2.835 -0.904 1.00 0.00 C ATOM 11 O SER A 2 -16.596 -3.785 -1.353 1.00 0.00 O ATOM 12 CB SER A 2 -13.530 -3.242 -1.413 1.00 0.00 C ATOM 13 OG SER A 2 -12.938 -2.007 -1.809 1.00 0.00 O ATOM 0 H SER A 2 -15.157 -4.975 0.278 1.00 0.00 H new ATOM 0 HA SER A 2 -14.284 -2.168 0.271 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.752 -3.924 -1.070 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.005 -3.709 -2.275 1.00 0.00 H new ATOM 0 HG SER A 2 -12.783 -2.014 -2.777 1.00 0.00 H new ATOM 19 N SER A 3 -16.381 -1.580 -0.894 1.00 0.00 N ATOM 20 CA SER A 3 -17.683 -1.228 -1.433 1.00 0.00 C ATOM 21 C SER A 3 -17.518 -0.511 -2.775 1.00 0.00 C ATOM 22 O SER A 3 -16.414 -0.101 -3.131 1.00 0.00 O ATOM 23 CB SER A 3 -18.464 -0.348 -0.455 1.00 0.00 C ATOM 24 OG SER A 3 -17.941 0.976 -0.392 1.00 0.00 O ATOM 0 H SER A 3 -15.847 -0.795 -0.521 1.00 0.00 H new ATOM 0 HA SER A 3 -18.249 -2.147 -1.586 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.510 -0.310 -0.758 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.436 -0.796 0.538 1.00 0.00 H new ATOM 0 HG SER A 3 -18.468 1.506 0.242 1.00 0.00 H new ATOM 30 N GLY A 4 -18.631 -0.383 -3.482 1.00 0.00 N ATOM 31 CA GLY A 4 -18.623 0.277 -4.777 1.00 0.00 C ATOM 32 C GLY A 4 -19.260 1.665 -4.689 1.00 0.00 C ATOM 33 O GLY A 4 -19.987 1.959 -3.741 1.00 0.00 O ATOM 0 H GLY A 4 -19.544 -0.725 -3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.598 0.366 -5.138 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.165 -0.330 -5.502 1.00 0.00 H new ATOM 37 N SER A 5 -18.965 2.481 -5.690 1.00 0.00 N ATOM 38 CA SER A 5 -19.501 3.831 -5.737 1.00 0.00 C ATOM 39 C SER A 5 -19.491 4.347 -7.178 1.00 0.00 C ATOM 40 O SER A 5 -18.821 3.781 -8.039 1.00 0.00 O ATOM 41 CB SER A 5 -18.704 4.772 -4.831 1.00 0.00 C ATOM 42 OG SER A 5 -19.554 5.556 -3.998 1.00 0.00 O ATOM 0 H SER A 5 -18.362 2.234 -6.475 1.00 0.00 H new ATOM 0 HA SER A 5 -20.528 3.804 -5.374 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.025 4.188 -4.209 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.089 5.431 -5.444 1.00 0.00 H new ATOM 0 HG SER A 5 -19.008 6.142 -3.433 1.00 0.00 H new ATOM 48 N SER A 6 -20.243 5.417 -7.394 1.00 0.00 N ATOM 49 CA SER A 6 -20.329 6.016 -8.715 1.00 0.00 C ATOM 50 C SER A 6 -19.369 7.202 -8.815 1.00 0.00 C ATOM 51 O SER A 6 -18.884 7.701 -7.800 1.00 0.00 O ATOM 52 CB SER A 6 -21.759 6.462 -9.025 1.00 0.00 C ATOM 53 OG SER A 6 -22.069 6.339 -10.410 1.00 0.00 O ATOM 0 H SER A 6 -20.798 5.884 -6.677 1.00 0.00 H new ATOM 0 HA SER A 6 -20.044 5.264 -9.451 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.459 5.864 -8.442 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.891 7.499 -8.715 1.00 0.00 H new ATOM 0 HG SER A 6 -22.991 6.632 -10.566 1.00 0.00 H new ATOM 59 N GLY A 7 -19.123 7.621 -10.048 1.00 0.00 N ATOM 60 CA GLY A 7 -18.229 8.740 -10.294 1.00 0.00 C ATOM 61 C GLY A 7 -18.419 9.293 -11.708 1.00 0.00 C ATOM 62 O GLY A 7 -19.041 8.649 -12.552 1.00 0.00 O ATOM 0 H GLY A 7 -19.527 7.206 -10.887 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.416 9.527 -9.564 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.195 8.421 -10.160 1.00 0.00 H new ATOM 66 N THR A 8 -17.871 10.480 -11.923 1.00 0.00 N ATOM 67 CA THR A 8 -17.972 11.126 -13.221 1.00 0.00 C ATOM 68 C THR A 8 -16.662 11.839 -13.565 1.00 0.00 C ATOM 69 O THR A 8 -15.888 12.187 -12.674 1.00 0.00 O ATOM 70 CB THR A 8 -19.182 12.061 -13.190 1.00 0.00 C ATOM 71 OG1 THR A 8 -19.058 12.829 -14.384 1.00 0.00 O ATOM 72 CG2 THR A 8 -19.093 13.098 -12.068 1.00 0.00 C ATOM 0 H THR A 8 -17.356 11.011 -11.221 1.00 0.00 H new ATOM 0 HA THR A 8 -18.127 10.396 -14.016 1.00 0.00 H new ATOM 0 HB THR A 8 -20.092 11.473 -13.069 1.00 0.00 H new ATOM 0 HG1 THR A 8 -19.804 13.461 -14.445 1.00 0.00 H new ATOM 0 HG21 THR A 8 -19.977 13.736 -12.091 1.00 0.00 H new ATOM 0 HG22 THR A 8 -19.038 12.589 -11.106 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.201 13.709 -12.207 1.00 0.00 H new ATOM 80 N GLY A 9 -16.455 12.034 -14.859 1.00 0.00 N ATOM 81 CA GLY A 9 -15.252 12.699 -15.331 1.00 0.00 C ATOM 82 C GLY A 9 -15.305 12.916 -16.845 1.00 0.00 C ATOM 83 O GLY A 9 -15.566 11.981 -17.601 1.00 0.00 O ATOM 0 H GLY A 9 -17.099 11.744 -15.595 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -15.140 13.658 -14.826 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.377 12.101 -15.076 1.00 0.00 H new ATOM 87 N ALA A 10 -15.053 14.154 -17.242 1.00 0.00 N ATOM 88 CA ALA A 10 -15.068 14.506 -18.652 1.00 0.00 C ATOM 89 C ALA A 10 -14.602 15.954 -18.817 1.00 0.00 C ATOM 90 O ALA A 10 -15.009 16.831 -18.057 1.00 0.00 O ATOM 91 CB ALA A 10 -16.470 14.276 -19.221 1.00 0.00 C ATOM 0 H ALA A 10 -14.837 14.927 -16.612 1.00 0.00 H new ATOM 0 HA ALA A 10 -14.381 13.873 -19.213 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -16.481 14.540 -20.278 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -16.742 13.227 -19.106 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.187 14.897 -18.684 1.00 0.00 H new ATOM 97 N LEU A 11 -13.755 16.159 -19.815 1.00 0.00 N ATOM 98 CA LEU A 11 -13.230 17.486 -20.090 1.00 0.00 C ATOM 99 C LEU A 11 -13.352 17.778 -21.586 1.00 0.00 C ATOM 100 O LEU A 11 -13.340 16.860 -22.405 1.00 0.00 O ATOM 101 CB LEU A 11 -11.803 17.619 -19.552 1.00 0.00 C ATOM 102 CG LEU A 11 -11.503 18.891 -18.756 1.00 0.00 C ATOM 103 CD1 LEU A 11 -11.123 18.557 -17.312 1.00 0.00 C ATOM 104 CD2 LEU A 11 -10.430 19.732 -19.450 1.00 0.00 C ATOM 0 H LEU A 11 -13.419 15.429 -20.443 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.815 18.243 -19.568 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.594 16.758 -18.917 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.112 17.569 -20.394 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.411 19.493 -18.720 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.915 19.478 -16.768 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.947 18.030 -16.831 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.236 17.924 -17.306 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.236 20.630 -18.864 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.512 19.150 -19.538 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.776 20.016 -20.444 1.00 0.00 H new ATOM 116 N MET A 12 -13.467 19.061 -21.899 1.00 0.00 N ATOM 117 CA MET A 12 -13.591 19.486 -23.282 1.00 0.00 C ATOM 118 C MET A 12 -12.222 19.820 -23.879 1.00 0.00 C ATOM 119 O MET A 12 -11.696 20.910 -23.663 1.00 0.00 O ATOM 120 CB MET A 12 -14.496 20.718 -23.359 1.00 0.00 C ATOM 121 CG MET A 12 -15.966 20.330 -23.185 1.00 0.00 C ATOM 122 SD MET A 12 -16.995 21.785 -23.275 1.00 0.00 S ATOM 123 CE MET A 12 -18.575 21.027 -23.615 1.00 0.00 C ATOM 0 H MET A 12 -13.477 19.820 -21.217 1.00 0.00 H new ATOM 0 HA MET A 12 -14.026 18.668 -23.856 1.00 0.00 H new ATOM 0 HB2 MET A 12 -14.211 21.432 -22.586 1.00 0.00 H new ATOM 0 HB3 MET A 12 -14.359 21.215 -24.319 1.00 0.00 H new ATOM 0 HG2 MET A 12 -16.257 19.620 -23.959 1.00 0.00 H new ATOM 0 HG3 MET A 12 -16.108 19.832 -22.226 1.00 0.00 H new ATOM 0 HE1 MET A 12 -19.338 21.800 -23.702 1.00 0.00 H new ATOM 0 HE2 MET A 12 -18.517 20.467 -24.549 1.00 0.00 H new ATOM 0 HE3 MET A 12 -18.836 20.350 -22.802 1.00 0.00 H new ATOM 133 N ALA A 13 -11.685 18.860 -24.618 1.00 0.00 N ATOM 134 CA ALA A 13 -10.387 19.039 -25.247 1.00 0.00 C ATOM 135 C ALA A 13 -10.124 17.873 -26.202 1.00 0.00 C ATOM 136 O ALA A 13 -10.900 16.920 -26.253 1.00 0.00 O ATOM 137 CB ALA A 13 -9.309 19.163 -24.168 1.00 0.00 C ATOM 0 H ALA A 13 -12.124 17.957 -24.795 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.368 19.957 -25.834 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.336 19.297 -24.640 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.526 20.022 -23.534 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.296 18.258 -23.561 1.00 0.00 H new ATOM 143 N SER A 14 -9.027 17.987 -26.936 1.00 0.00 N ATOM 144 CA SER A 14 -8.651 16.955 -27.887 1.00 0.00 C ATOM 145 C SER A 14 -8.922 15.572 -27.291 1.00 0.00 C ATOM 146 O SER A 14 -9.743 14.818 -27.811 1.00 0.00 O ATOM 147 CB SER A 14 -7.180 17.082 -28.286 1.00 0.00 C ATOM 148 OG SER A 14 -7.029 17.509 -29.638 1.00 0.00 O ATOM 0 H SER A 14 -8.386 18.779 -26.891 1.00 0.00 H new ATOM 0 HA SER A 14 -9.254 17.082 -28.786 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.685 17.792 -27.624 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.683 16.121 -28.152 1.00 0.00 H new ATOM 0 HG SER A 14 -6.076 17.580 -29.854 1.00 0.00 H new ATOM 154 N SER A 15 -8.214 15.280 -26.209 1.00 0.00 N ATOM 155 CA SER A 15 -8.368 14.001 -25.537 1.00 0.00 C ATOM 156 C SER A 15 -7.601 14.010 -24.213 1.00 0.00 C ATOM 157 O SER A 15 -6.505 13.460 -24.123 1.00 0.00 O ATOM 158 CB SER A 15 -7.883 12.852 -26.424 1.00 0.00 C ATOM 159 OG SER A 15 -8.438 11.601 -26.026 1.00 0.00 O ATOM 0 H SER A 15 -7.533 15.907 -25.782 1.00 0.00 H new ATOM 0 HA SER A 15 -9.428 13.846 -25.334 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.152 13.055 -27.460 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.795 12.796 -26.383 1.00 0.00 H new ATOM 0 HG SER A 15 -8.106 10.893 -26.617 1.00 0.00 H new ATOM 165 N PRO A 16 -8.224 14.658 -23.193 1.00 0.00 N ATOM 166 CA PRO A 16 -7.612 14.746 -21.878 1.00 0.00 C ATOM 167 C PRO A 16 -7.711 13.411 -21.137 1.00 0.00 C ATOM 168 O PRO A 16 -8.285 13.340 -20.051 1.00 0.00 O ATOM 169 CB PRO A 16 -8.352 15.872 -21.174 1.00 0.00 C ATOM 170 CG PRO A 16 -9.651 16.060 -21.941 1.00 0.00 C ATOM 171 CD PRO A 16 -9.523 15.321 -23.263 1.00 0.00 C ATOM 0 HA PRO A 16 -6.544 14.957 -21.925 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.547 15.620 -20.132 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.762 16.788 -21.175 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.493 15.672 -21.367 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.843 17.119 -22.113 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.329 14.599 -23.393 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.572 16.009 -24.107 1.00 0.00 H new ATOM 179 N GLN A 17 -7.141 12.385 -21.753 1.00 0.00 N ATOM 180 CA GLN A 17 -7.157 11.056 -21.165 1.00 0.00 C ATOM 181 C GLN A 17 -5.738 10.621 -20.797 1.00 0.00 C ATOM 182 O GLN A 17 -5.253 9.599 -21.280 1.00 0.00 O ATOM 183 CB GLN A 17 -7.813 10.047 -22.110 1.00 0.00 C ATOM 184 CG GLN A 17 -7.106 10.028 -23.467 1.00 0.00 C ATOM 185 CD GLN A 17 -7.146 8.629 -24.086 1.00 0.00 C ATOM 186 OE1 GLN A 17 -8.188 8.117 -24.461 1.00 0.00 O ATOM 187 NE2 GLN A 17 -5.956 8.041 -24.171 1.00 0.00 N ATOM 0 H GLN A 17 -6.665 12.447 -22.653 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.753 11.090 -20.253 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.781 9.052 -21.665 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.864 10.301 -22.247 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.583 10.741 -24.140 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.071 10.347 -23.346 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.123 8.526 -23.838 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.877 7.105 -24.569 1.00 0.00 H new ATOM 196 N ASP A 18 -5.111 11.419 -19.944 1.00 0.00 N ATOM 197 CA ASP A 18 -3.756 11.129 -19.506 1.00 0.00 C ATOM 198 C ASP A 18 -3.619 11.478 -18.023 1.00 0.00 C ATOM 199 O ASP A 18 -3.353 12.627 -17.674 1.00 0.00 O ATOM 200 CB ASP A 18 -2.735 11.961 -20.284 1.00 0.00 C ATOM 201 CG ASP A 18 -1.835 11.163 -21.229 1.00 0.00 C ATOM 202 OD1 ASP A 18 -2.296 10.095 -21.685 1.00 0.00 O ATOM 203 OD2 ASP A 18 -0.705 11.639 -21.474 1.00 0.00 O ATOM 0 H ASP A 18 -5.516 12.266 -19.545 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.565 10.070 -19.680 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.269 12.714 -20.864 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.106 12.495 -19.572 1.00 0.00 H new ATOM 208 N ILE A 19 -3.807 10.465 -17.190 1.00 0.00 N ATOM 209 CA ILE A 19 -3.708 10.651 -15.752 1.00 0.00 C ATOM 210 C ILE A 19 -2.449 11.460 -15.432 1.00 0.00 C ATOM 211 O ILE A 19 -1.398 11.244 -16.035 1.00 0.00 O ATOM 212 CB ILE A 19 -3.771 9.302 -15.032 1.00 0.00 C ATOM 213 CG1 ILE A 19 -5.130 8.632 -15.243 1.00 0.00 C ATOM 214 CG2 ILE A 19 -3.433 9.457 -13.548 1.00 0.00 C ATOM 215 CD1 ILE A 19 -5.150 7.229 -14.634 1.00 0.00 C ATOM 0 H ILE A 19 -4.027 9.513 -17.483 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.558 11.224 -15.383 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.017 8.646 -15.467 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.913 9.240 -14.790 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.349 8.573 -16.309 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.485 8.484 -13.059 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.426 9.862 -13.444 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.147 10.136 -13.081 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.127 6.775 -14.798 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.382 6.617 -15.106 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.955 7.294 -13.564 1.00 0.00 H new ATOM 227 N LYS A 20 -2.596 12.374 -14.485 1.00 0.00 N ATOM 228 CA LYS A 20 -1.484 13.216 -14.078 1.00 0.00 C ATOM 229 C LYS A 20 -0.203 12.380 -14.044 1.00 0.00 C ATOM 230 O LYS A 20 0.773 12.707 -14.717 1.00 0.00 O ATOM 231 CB LYS A 20 -1.798 13.914 -12.753 1.00 0.00 C ATOM 232 CG LYS A 20 -1.215 15.329 -12.727 1.00 0.00 C ATOM 233 CD LYS A 20 -0.391 15.560 -11.459 1.00 0.00 C ATOM 234 CE LYS A 20 -0.896 16.785 -10.693 1.00 0.00 C ATOM 235 NZ LYS A 20 -0.142 17.994 -11.095 1.00 0.00 N ATOM 0 H LYS A 20 -3.469 12.550 -13.987 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.325 14.014 -14.803 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.877 13.959 -12.608 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.389 13.333 -11.926 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.588 15.484 -13.605 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.022 16.060 -12.778 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.446 14.679 -10.820 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.658 15.698 -11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.959 16.930 -10.887 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.788 16.621 -9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.497 18.816 -10.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.868 17.858 -10.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.267 18.158 -12.114 1.00 0.00 H new ATOM 249 N PHE A 21 -0.248 11.318 -13.254 1.00 0.00 N ATOM 250 CA PHE A 21 0.897 10.433 -13.124 1.00 0.00 C ATOM 251 C PHE A 21 0.808 9.271 -14.116 1.00 0.00 C ATOM 252 O PHE A 21 1.784 8.951 -14.792 1.00 0.00 O ATOM 253 CB PHE A 21 0.872 9.875 -11.700 1.00 0.00 C ATOM 254 CG PHE A 21 1.084 10.932 -10.614 1.00 0.00 C ATOM 255 CD1 PHE A 21 2.309 11.497 -10.444 1.00 0.00 C ATOM 256 CD2 PHE A 21 0.046 11.307 -9.818 1.00 0.00 C ATOM 257 CE1 PHE A 21 2.505 12.478 -9.436 1.00 0.00 C ATOM 258 CE2 PHE A 21 0.242 12.288 -8.810 1.00 0.00 C ATOM 259 CZ PHE A 21 1.467 12.853 -8.641 1.00 0.00 C ATOM 0 H PHE A 21 -1.060 11.050 -12.697 1.00 0.00 H new ATOM 0 HA PHE A 21 1.816 10.982 -13.330 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.085 9.382 -11.531 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.645 9.112 -11.606 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.133 11.200 -11.076 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.927 10.858 -9.953 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.478 12.926 -9.301 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.582 12.585 -8.178 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.616 13.600 -7.875 1.00 0.00 H new ATOM 269 N GLN A 22 -0.373 8.672 -14.171 1.00 0.00 N ATOM 270 CA GLN A 22 -0.602 7.553 -15.068 1.00 0.00 C ATOM 271 C GLN A 22 0.273 6.363 -14.669 1.00 0.00 C ATOM 272 O GLN A 22 1.345 6.543 -14.093 1.00 0.00 O ATOM 273 CB GLN A 22 -0.349 7.955 -16.523 1.00 0.00 C ATOM 274 CG GLN A 22 -1.582 7.685 -17.389 1.00 0.00 C ATOM 275 CD GLN A 22 -1.182 7.402 -18.838 1.00 0.00 C ATOM 276 OE1 GLN A 22 -1.210 6.277 -19.309 1.00 0.00 O ATOM 277 NE2 GLN A 22 -0.808 8.484 -19.517 1.00 0.00 N ATOM 0 H GLN A 22 -1.181 8.941 -13.609 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.647 7.255 -14.984 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.090 9.013 -16.572 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.503 7.400 -16.914 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.134 6.835 -16.988 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.251 8.545 -17.354 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.808 9.397 -19.062 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.522 8.400 -20.492 1.00 0.00 H new ATOM 286 N ASP A 23 -0.216 5.175 -14.990 1.00 0.00 N ATOM 287 CA ASP A 23 0.508 3.956 -14.671 1.00 0.00 C ATOM 288 C ASP A 23 0.864 3.953 -13.183 1.00 0.00 C ATOM 289 O ASP A 23 1.778 3.248 -12.761 1.00 0.00 O ATOM 290 CB ASP A 23 1.810 3.865 -15.469 1.00 0.00 C ATOM 291 CG ASP A 23 1.633 3.673 -16.976 1.00 0.00 C ATOM 292 OD1 ASP A 23 0.979 2.675 -17.348 1.00 0.00 O ATOM 293 OD2 ASP A 23 2.157 4.528 -17.723 1.00 0.00 O ATOM 0 H ASP A 23 -1.105 5.030 -15.468 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.130 3.109 -14.923 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.387 4.774 -15.299 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.400 3.036 -15.079 1.00 0.00 H new ATOM 298 N LEU A 24 0.122 4.751 -12.429 1.00 0.00 N ATOM 299 CA LEU A 24 0.348 4.850 -10.997 1.00 0.00 C ATOM 300 C LEU A 24 -0.980 4.656 -10.261 1.00 0.00 C ATOM 301 O LEU A 24 -1.463 5.570 -9.594 1.00 0.00 O ATOM 302 CB LEU A 24 1.055 6.163 -10.655 1.00 0.00 C ATOM 303 CG LEU A 24 2.128 6.084 -9.567 1.00 0.00 C ATOM 304 CD1 LEU A 24 1.513 5.717 -8.216 1.00 0.00 C ATOM 305 CD2 LEU A 24 3.245 5.119 -9.969 1.00 0.00 C ATOM 0 H LEU A 24 -0.636 5.335 -12.783 1.00 0.00 H new ATOM 0 HA LEU A 24 1.018 4.058 -10.661 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.515 6.552 -11.563 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.302 6.887 -10.343 1.00 0.00 H new ATOM 0 HG LEU A 24 2.578 7.071 -9.458 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.297 5.668 -7.461 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.782 6.474 -7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.021 4.748 -8.292 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.995 5.081 -9.179 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.828 4.124 -10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.709 5.464 -10.893 1.00 0.00 H new ATOM 317 N VAL A 25 -1.532 3.461 -10.407 1.00 0.00 N ATOM 318 CA VAL A 25 -2.794 3.136 -9.765 1.00 0.00 C ATOM 319 C VAL A 25 -2.533 2.728 -8.314 1.00 0.00 C ATOM 320 O VAL A 25 -1.807 1.769 -8.055 1.00 0.00 O ATOM 321 CB VAL A 25 -3.527 2.058 -10.566 1.00 0.00 C ATOM 322 CG1 VAL A 25 -4.960 1.879 -10.062 1.00 0.00 C ATOM 323 CG2 VAL A 25 -3.507 2.378 -12.062 1.00 0.00 C ATOM 0 H VAL A 25 -1.128 2.706 -10.961 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.448 4.008 -9.745 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.001 1.115 -10.418 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.458 1.107 -10.649 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.942 1.583 -9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.502 2.819 -10.165 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.035 1.596 -12.608 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.997 3.336 -12.236 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.475 2.430 -12.409 1.00 0.00 H new ATOM 333 N VAL A 26 -3.138 3.478 -7.404 1.00 0.00 N ATOM 334 CA VAL A 26 -2.980 3.206 -5.985 1.00 0.00 C ATOM 335 C VAL A 26 -4.306 2.696 -5.417 1.00 0.00 C ATOM 336 O VAL A 26 -5.357 3.287 -5.659 1.00 0.00 O ATOM 337 CB VAL A 26 -2.463 4.455 -5.268 1.00 0.00 C ATOM 338 CG1 VAL A 26 -2.394 4.230 -3.756 1.00 0.00 C ATOM 339 CG2 VAL A 26 -1.102 4.881 -5.821 1.00 0.00 C ATOM 0 H VAL A 26 -3.738 4.273 -7.622 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.237 2.425 -5.826 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.169 5.264 -5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.024 5.133 -3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.389 3.996 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.720 3.400 -3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.758 5.771 -5.294 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.383 4.074 -5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.194 5.102 -6.884 1.00 0.00 H new ATOM 349 N PHE A 27 -4.213 1.605 -4.672 1.00 0.00 N ATOM 350 CA PHE A 27 -5.392 1.009 -4.067 1.00 0.00 C ATOM 351 C PHE A 27 -5.186 0.786 -2.568 1.00 0.00 C ATOM 352 O PHE A 27 -4.339 -0.010 -2.166 1.00 0.00 O ATOM 353 CB PHE A 27 -5.608 -0.345 -4.747 1.00 0.00 C ATOM 354 CG PHE A 27 -6.738 -1.175 -4.136 1.00 0.00 C ATOM 355 CD1 PHE A 27 -8.015 -1.015 -4.575 1.00 0.00 C ATOM 356 CD2 PHE A 27 -6.465 -2.075 -3.152 1.00 0.00 C ATOM 357 CE1 PHE A 27 -9.063 -1.785 -4.008 1.00 0.00 C ATOM 358 CE2 PHE A 27 -7.514 -2.845 -2.585 1.00 0.00 C ATOM 359 CZ PHE A 27 -8.791 -2.685 -3.024 1.00 0.00 C ATOM 0 H PHE A 27 -3.339 1.118 -4.473 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.249 1.670 -4.194 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.823 -0.180 -5.803 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.682 -0.918 -4.696 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.232 -0.301 -5.356 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.451 -2.203 -2.803 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -10.077 -1.657 -4.357 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.298 -3.559 -1.804 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.589 -3.271 -2.592 1.00 0.00 H new ATOM 369 N ILE A 28 -5.976 1.502 -1.781 1.00 0.00 N ATOM 370 CA ILE A 28 -5.890 1.393 -0.335 1.00 0.00 C ATOM 371 C ILE A 28 -6.673 0.161 0.126 1.00 0.00 C ATOM 372 O ILE A 28 -7.730 -0.148 -0.422 1.00 0.00 O ATOM 373 CB ILE A 28 -6.345 2.694 0.329 1.00 0.00 C ATOM 374 CG1 ILE A 28 -5.433 3.858 -0.064 1.00 0.00 C ATOM 375 CG2 ILE A 28 -6.444 2.530 1.847 1.00 0.00 C ATOM 376 CD1 ILE A 28 -5.997 5.189 0.435 1.00 0.00 C ATOM 0 H ILE A 28 -6.679 2.160 -2.118 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.855 1.249 -0.025 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.345 2.931 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.438 3.702 0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.324 3.889 -1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.769 3.469 2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.165 1.747 2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.468 2.256 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.330 6.000 0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.982 5.354 -0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.082 5.164 1.521 1.00 0.00 H new ATOM 388 N LEU A 29 -6.123 -0.509 1.128 1.00 0.00 N ATOM 389 CA LEU A 29 -6.757 -1.699 1.668 1.00 0.00 C ATOM 390 C LEU A 29 -7.555 -1.324 2.918 1.00 0.00 C ATOM 391 O LEU A 29 -6.991 -1.190 4.003 1.00 0.00 O ATOM 392 CB LEU A 29 -5.718 -2.797 1.909 1.00 0.00 C ATOM 393 CG LEU A 29 -6.242 -4.093 2.530 1.00 0.00 C ATOM 394 CD1 LEU A 29 -7.000 -4.928 1.497 1.00 0.00 C ATOM 395 CD2 LEU A 29 -5.110 -4.883 3.188 1.00 0.00 C ATOM 0 H LEU A 29 -5.246 -0.250 1.580 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.465 -2.113 0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.247 -3.039 0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.939 -2.396 2.557 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.951 -3.833 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.362 -5.844 1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.846 -4.356 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.333 -5.180 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.510 -5.800 3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.358 -5.134 2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.654 -4.280 3.973 1.00 0.00 H new ATOM 407 N GLU A 30 -8.856 -1.165 2.724 1.00 0.00 N ATOM 408 CA GLU A 30 -9.738 -0.808 3.822 1.00 0.00 C ATOM 409 C GLU A 30 -9.307 -1.523 5.104 1.00 0.00 C ATOM 410 O GLU A 30 -9.155 -0.894 6.150 1.00 0.00 O ATOM 411 CB GLU A 30 -11.196 -1.126 3.481 1.00 0.00 C ATOM 412 CG GLU A 30 -12.118 -0.801 4.658 1.00 0.00 C ATOM 413 CD GLU A 30 -12.251 -2.001 5.597 1.00 0.00 C ATOM 414 OE1 GLU A 30 -12.559 -3.096 5.079 1.00 0.00 O ATOM 415 OE2 GLU A 30 -12.042 -1.797 6.813 1.00 0.00 O ATOM 0 H GLU A 30 -9.320 -1.277 1.823 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.664 0.267 3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.502 -0.553 2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.291 -2.180 3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.724 0.054 5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.102 -0.515 4.286 1.00 0.00 H new ATOM 422 N LYS A 31 -9.121 -2.829 4.981 1.00 0.00 N ATOM 423 CA LYS A 31 -8.710 -3.637 6.117 1.00 0.00 C ATOM 424 C LYS A 31 -7.703 -2.851 6.958 1.00 0.00 C ATOM 425 O LYS A 31 -6.675 -2.408 6.448 1.00 0.00 O ATOM 426 CB LYS A 31 -8.190 -4.997 5.647 1.00 0.00 C ATOM 427 CG LYS A 31 -9.290 -5.788 4.934 1.00 0.00 C ATOM 428 CD LYS A 31 -9.118 -7.291 5.160 1.00 0.00 C ATOM 429 CE LYS A 31 -7.909 -7.827 4.389 1.00 0.00 C ATOM 430 NZ LYS A 31 -7.486 -9.136 4.933 1.00 0.00 N ATOM 0 H LYS A 31 -9.247 -3.348 4.112 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.563 -3.853 6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.345 -4.854 4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.824 -5.566 6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.266 -5.471 5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.264 -5.572 3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.993 -7.490 6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.019 -7.816 4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.160 -7.929 3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.085 -7.116 4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.665 -9.485 4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.227 -9.028 5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.268 -9.816 4.849 1.00 0.00 H new ATOM 444 N LYS A 32 -8.033 -2.703 8.233 1.00 0.00 N ATOM 445 CA LYS A 32 -7.169 -1.978 9.150 1.00 0.00 C ATOM 446 C LYS A 32 -7.178 -0.492 8.785 1.00 0.00 C ATOM 447 O LYS A 32 -6.122 0.110 8.593 1.00 0.00 O ATOM 448 CB LYS A 32 -5.771 -2.598 9.172 1.00 0.00 C ATOM 449 CG LYS A 32 -5.647 -3.632 10.293 1.00 0.00 C ATOM 450 CD LYS A 32 -4.967 -4.907 9.790 1.00 0.00 C ATOM 451 CE LYS A 32 -4.470 -5.761 10.959 1.00 0.00 C ATOM 452 NZ LYS A 32 -3.247 -5.172 11.547 1.00 0.00 N ATOM 0 H LYS A 32 -8.886 -3.072 8.653 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.544 -2.058 10.171 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.564 -3.071 8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.025 -1.816 9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.073 -3.211 11.119 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.636 -3.872 10.682 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.668 -5.483 9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.129 -4.646 9.144 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.247 -5.835 11.720 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.264 -6.774 10.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.694 -5.917 12.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.675 -4.737 10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.511 -4.447 12.244 1.00 0.00 H new ATOM 466 N MET A 33 -8.381 0.057 8.699 1.00 0.00 N ATOM 467 CA MET A 33 -8.540 1.460 8.360 1.00 0.00 C ATOM 468 C MET A 33 -10.019 1.852 8.328 1.00 0.00 C ATOM 469 O MET A 33 -10.490 2.582 9.199 1.00 0.00 O ATOM 470 CB MET A 33 -7.911 1.730 6.991 1.00 0.00 C ATOM 471 CG MET A 33 -7.755 3.232 6.746 1.00 0.00 C ATOM 472 SD MET A 33 -7.229 3.525 5.066 1.00 0.00 S ATOM 473 CE MET A 33 -5.685 2.629 5.064 1.00 0.00 C ATOM 0 H MET A 33 -9.254 -0.445 8.858 1.00 0.00 H new ATOM 0 HA MET A 33 -8.041 2.057 9.123 1.00 0.00 H new ATOM 0 HB2 MET A 33 -6.936 1.245 6.933 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.532 1.293 6.209 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.701 3.740 6.933 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.027 3.649 7.442 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.987 3.109 4.378 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.263 2.629 6.069 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.861 1.602 4.744 1.00 0.00 H new ATOM 483 N GLY A 34 -10.710 1.350 7.315 1.00 0.00 N ATOM 484 CA GLY A 34 -12.125 1.639 7.158 1.00 0.00 C ATOM 485 C GLY A 34 -12.407 2.277 5.797 1.00 0.00 C ATOM 486 O GLY A 34 -11.567 2.231 4.899 1.00 0.00 O ATOM 0 H GLY A 34 -10.316 0.745 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.701 0.719 7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.453 2.309 7.953 1.00 0.00 H new ATOM 490 N THR A 35 -13.593 2.858 5.686 1.00 0.00 N ATOM 491 CA THR A 35 -13.996 3.505 4.449 1.00 0.00 C ATOM 492 C THR A 35 -13.572 4.975 4.453 1.00 0.00 C ATOM 493 O THR A 35 -12.843 5.417 3.566 1.00 0.00 O ATOM 494 CB THR A 35 -15.504 3.308 4.282 1.00 0.00 C ATOM 495 OG1 THR A 35 -15.637 1.937 3.916 1.00 0.00 O ATOM 496 CG2 THR A 35 -16.065 4.071 3.080 1.00 0.00 C ATOM 0 H THR A 35 -14.287 2.894 6.432 1.00 0.00 H new ATOM 0 HA THR A 35 -13.498 3.058 3.589 1.00 0.00 H new ATOM 0 HB THR A 35 -16.015 3.633 5.188 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.585 1.723 3.789 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.139 3.897 3.007 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.878 5.137 3.206 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.578 3.723 2.169 1.00 0.00 H new ATOM 504 N THR A 36 -14.046 5.692 5.461 1.00 0.00 N ATOM 505 CA THR A 36 -13.725 7.103 5.592 1.00 0.00 C ATOM 506 C THR A 36 -12.264 7.354 5.216 1.00 0.00 C ATOM 507 O THR A 36 -11.980 7.951 4.178 1.00 0.00 O ATOM 508 CB THR A 36 -14.069 7.535 7.019 1.00 0.00 C ATOM 509 OG1 THR A 36 -15.469 7.291 7.128 1.00 0.00 O ATOM 510 CG2 THR A 36 -13.937 9.046 7.220 1.00 0.00 C ATOM 0 H THR A 36 -14.650 5.322 6.195 1.00 0.00 H new ATOM 0 HA THR A 36 -14.313 7.709 4.903 1.00 0.00 H new ATOM 0 HB THR A 36 -13.418 7.017 7.723 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.776 7.542 8.024 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.192 9.300 8.249 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.911 9.352 7.014 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.613 9.564 6.540 1.00 0.00 H new ATOM 518 N ARG A 37 -11.375 6.887 6.080 1.00 0.00 N ATOM 519 CA ARG A 37 -9.950 7.054 5.851 1.00 0.00 C ATOM 520 C ARG A 37 -9.574 6.553 4.456 1.00 0.00 C ATOM 521 O ARG A 37 -9.138 7.331 3.609 1.00 0.00 O ATOM 522 CB ARG A 37 -9.132 6.293 6.897 1.00 0.00 C ATOM 523 CG ARG A 37 -8.477 7.257 7.888 1.00 0.00 C ATOM 524 CD ARG A 37 -7.058 6.804 8.238 1.00 0.00 C ATOM 525 NE ARG A 37 -6.389 7.829 9.070 1.00 0.00 N ATOM 526 CZ ARG A 37 -5.256 7.620 9.753 1.00 0.00 C ATOM 527 NH1 ARG A 37 -4.658 6.422 9.708 1.00 0.00 N ATOM 528 NH2 ARG A 37 -4.721 8.609 10.481 1.00 0.00 N ATOM 0 H ARG A 37 -11.614 6.393 6.940 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.723 8.117 5.932 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.778 5.598 7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.365 5.698 6.402 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.447 8.259 7.460 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.078 7.315 8.795 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.092 5.855 8.773 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.486 6.635 7.326 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.818 8.753 9.127 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.066 5.669 9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.795 6.263 10.228 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.176 9.521 10.515 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.858 8.450 11.001 1.00 0.00 H new ATOM 542 N ARG A 38 -9.756 5.255 4.259 1.00 0.00 N ATOM 543 CA ARG A 38 -9.441 4.641 2.980 1.00 0.00 C ATOM 544 C ARG A 38 -9.845 5.568 1.832 1.00 0.00 C ATOM 545 O ARG A 38 -9.008 5.953 1.017 1.00 0.00 O ATOM 546 CB ARG A 38 -10.162 3.301 2.821 1.00 0.00 C ATOM 547 CG ARG A 38 -10.044 2.782 1.386 1.00 0.00 C ATOM 548 CD ARG A 38 -10.680 1.397 1.250 1.00 0.00 C ATOM 549 NE ARG A 38 -11.125 1.179 -0.145 1.00 0.00 N ATOM 550 CZ ARG A 38 -12.323 1.550 -0.618 1.00 0.00 C ATOM 551 NH1 ARG A 38 -13.202 2.159 0.189 1.00 0.00 N ATOM 552 NH2 ARG A 38 -12.641 1.312 -1.897 1.00 0.00 N ATOM 0 H ARG A 38 -10.117 4.612 4.963 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.365 4.469 2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.738 2.572 3.511 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.213 3.416 3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.530 3.478 0.703 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.994 2.734 1.098 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.962 0.628 1.536 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.528 1.309 1.929 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.480 0.718 -0.786 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.959 2.340 1.163 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.114 2.441 -0.171 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.972 0.848 -2.511 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.553 1.594 -2.257 1.00 0.00 H new ATOM 566 N ALA A 39 -11.127 5.901 1.804 1.00 0.00 N ATOM 567 CA ALA A 39 -11.651 6.776 0.770 1.00 0.00 C ATOM 568 C ALA A 39 -10.931 8.124 0.835 1.00 0.00 C ATOM 569 O ALA A 39 -10.401 8.598 -0.169 1.00 0.00 O ATOM 570 CB ALA A 39 -13.166 6.915 0.938 1.00 0.00 C ATOM 0 H ALA A 39 -11.819 5.580 2.482 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.470 6.353 -0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.559 7.572 0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.633 5.934 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.386 7.339 1.918 1.00 0.00 H new ATOM 576 N LEU A 40 -10.936 8.704 2.026 1.00 0.00 N ATOM 577 CA LEU A 40 -10.289 9.989 2.235 1.00 0.00 C ATOM 578 C LEU A 40 -8.911 9.975 1.571 1.00 0.00 C ATOM 579 O LEU A 40 -8.703 10.632 0.552 1.00 0.00 O ATOM 580 CB LEU A 40 -10.250 10.333 3.726 1.00 0.00 C ATOM 581 CG LEU A 40 -9.669 11.702 4.083 1.00 0.00 C ATOM 582 CD1 LEU A 40 -9.779 12.669 2.903 1.00 0.00 C ATOM 583 CD2 LEU A 40 -10.324 12.263 5.347 1.00 0.00 C ATOM 0 H LEU A 40 -11.377 8.308 2.856 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.863 10.786 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.266 10.278 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.668 9.568 4.240 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.608 11.577 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.359 13.635 3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.230 12.268 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.827 12.795 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.893 13.237 5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.396 12.370 5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.150 11.582 6.180 1.00 0.00 H new ATOM 595 N LEU A 41 -8.006 9.220 2.175 1.00 0.00 N ATOM 596 CA LEU A 41 -6.653 9.113 1.655 1.00 0.00 C ATOM 597 C LEU A 41 -6.709 8.905 0.140 1.00 0.00 C ATOM 598 O LEU A 41 -6.042 9.613 -0.612 1.00 0.00 O ATOM 599 CB LEU A 41 -5.879 8.022 2.398 1.00 0.00 C ATOM 600 CG LEU A 41 -5.414 8.374 3.812 1.00 0.00 C ATOM 601 CD1 LEU A 41 -4.407 9.525 3.788 1.00 0.00 C ATOM 602 CD2 LEU A 41 -6.606 8.674 4.722 1.00 0.00 C ATOM 0 H LEU A 41 -8.183 8.676 3.020 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.103 10.037 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.507 7.133 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.004 7.757 1.805 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.901 7.507 4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.093 9.755 4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.538 9.236 3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.871 10.406 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.248 8.921 5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.168 9.517 4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.253 7.798 4.775 1.00 0.00 H new ATOM 614 N MET A 42 -7.511 7.930 -0.262 1.00 0.00 N ATOM 615 CA MET A 42 -7.662 7.620 -1.673 1.00 0.00 C ATOM 616 C MET A 42 -8.039 8.869 -2.472 1.00 0.00 C ATOM 617 O MET A 42 -7.510 9.099 -3.558 1.00 0.00 O ATOM 618 CB MET A 42 -8.747 6.555 -1.849 1.00 0.00 C ATOM 619 CG MET A 42 -8.163 5.148 -1.707 1.00 0.00 C ATOM 620 SD MET A 42 -9.114 3.992 -2.679 1.00 0.00 S ATOM 621 CE MET A 42 -10.767 4.504 -2.239 1.00 0.00 C ATOM 0 H MET A 42 -8.063 7.345 0.365 1.00 0.00 H new ATOM 0 HA MET A 42 -6.709 7.246 -2.047 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.531 6.704 -1.107 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.211 6.663 -2.829 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.123 5.142 -2.034 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.169 4.847 -0.660 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.465 3.691 -2.440 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.800 4.757 -1.179 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.047 5.377 -2.829 1.00 0.00 H new ATOM 631 N GLU A 43 -8.950 9.644 -1.902 1.00 0.00 N ATOM 632 CA GLU A 43 -9.403 10.865 -2.547 1.00 0.00 C ATOM 633 C GLU A 43 -8.289 11.913 -2.544 1.00 0.00 C ATOM 634 O GLU A 43 -8.135 12.663 -3.506 1.00 0.00 O ATOM 635 CB GLU A 43 -10.666 11.405 -1.872 1.00 0.00 C ATOM 636 CG GLU A 43 -10.726 12.931 -1.963 1.00 0.00 C ATOM 637 CD GLU A 43 -12.125 13.446 -1.622 1.00 0.00 C ATOM 638 OE1 GLU A 43 -12.488 13.354 -0.429 1.00 0.00 O ATOM 639 OE2 GLU A 43 -12.801 13.920 -2.561 1.00 0.00 O ATOM 0 H GLU A 43 -9.387 9.450 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.654 10.634 -3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.548 10.974 -2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.683 11.098 -0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.997 13.368 -1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.452 13.250 -2.969 1.00 0.00 H new ATOM 646 N LEU A 44 -7.540 11.930 -1.451 1.00 0.00 N ATOM 647 CA LEU A 44 -6.444 12.874 -1.310 1.00 0.00 C ATOM 648 C LEU A 44 -5.430 12.643 -2.432 1.00 0.00 C ATOM 649 O LEU A 44 -4.980 13.592 -3.072 1.00 0.00 O ATOM 650 CB LEU A 44 -5.839 12.786 0.093 1.00 0.00 C ATOM 651 CG LEU A 44 -6.775 13.142 1.250 1.00 0.00 C ATOM 652 CD1 LEU A 44 -6.020 13.879 2.358 1.00 0.00 C ATOM 653 CD2 LEU A 44 -7.984 13.937 0.753 1.00 0.00 C ATOM 0 H LEU A 44 -7.670 11.306 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.806 13.897 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.473 11.771 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.973 13.446 0.136 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.155 12.215 1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.708 14.121 3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.220 13.243 2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.593 14.799 1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.633 14.177 1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.644 14.860 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.537 13.342 0.027 1.00 0.00 H new ATOM 665 N ALA A 45 -5.100 11.376 -2.637 1.00 0.00 N ATOM 666 CA ALA A 45 -4.148 11.008 -3.671 1.00 0.00 C ATOM 667 C ALA A 45 -4.677 11.464 -5.031 1.00 0.00 C ATOM 668 O ALA A 45 -3.938 12.040 -5.828 1.00 0.00 O ATOM 669 CB ALA A 45 -3.895 9.500 -3.619 1.00 0.00 C ATOM 0 H ALA A 45 -5.475 10.591 -2.104 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.192 11.505 -3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.181 9.224 -4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.492 9.232 -2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.832 8.968 -3.783 1.00 0.00 H new ATOM 675 N ARG A 46 -5.954 11.191 -5.256 1.00 0.00 N ATOM 676 CA ARG A 46 -6.592 11.566 -6.506 1.00 0.00 C ATOM 677 C ARG A 46 -6.317 13.038 -6.821 1.00 0.00 C ATOM 678 O ARG A 46 -5.926 13.375 -7.938 1.00 0.00 O ATOM 679 CB ARG A 46 -8.103 11.338 -6.445 1.00 0.00 C ATOM 680 CG ARG A 46 -8.448 9.871 -6.712 1.00 0.00 C ATOM 681 CD ARG A 46 -9.961 9.649 -6.679 1.00 0.00 C ATOM 682 NE ARG A 46 -10.302 8.635 -5.657 1.00 0.00 N ATOM 683 CZ ARG A 46 -11.555 8.315 -5.304 1.00 0.00 C ATOM 684 NH1 ARG A 46 -12.593 8.928 -5.889 1.00 0.00 N ATOM 685 NH2 ARG A 46 -11.769 7.382 -4.367 1.00 0.00 N ATOM 0 H ARG A 46 -6.564 10.714 -4.593 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.174 10.938 -7.293 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.479 11.631 -5.465 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.600 11.972 -7.180 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.054 9.572 -7.683 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.968 9.239 -5.965 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.470 10.587 -6.456 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.310 9.322 -7.658 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.535 8.149 -5.192 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.430 9.638 -6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.546 8.685 -5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.979 6.915 -3.922 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.722 7.138 -4.098 1.00 0.00 H new ATOM 699 N ARG A 47 -6.534 13.875 -5.818 1.00 0.00 N ATOM 700 CA ARG A 47 -6.315 15.303 -5.973 1.00 0.00 C ATOM 701 C ARG A 47 -4.900 15.569 -6.492 1.00 0.00 C ATOM 702 O ARG A 47 -4.670 16.547 -7.203 1.00 0.00 O ATOM 703 CB ARG A 47 -6.511 16.038 -4.646 1.00 0.00 C ATOM 704 CG ARG A 47 -7.981 16.027 -4.225 1.00 0.00 C ATOM 705 CD ARG A 47 -8.126 16.325 -2.731 1.00 0.00 C ATOM 706 NE ARG A 47 -8.955 17.536 -2.535 1.00 0.00 N ATOM 707 CZ ARG A 47 -9.227 18.074 -1.338 1.00 0.00 C ATOM 708 NH1 ARG A 47 -8.737 17.513 -0.224 1.00 0.00 N ATOM 709 NH2 ARG A 47 -9.988 19.174 -1.256 1.00 0.00 N ATOM 0 H ARG A 47 -6.860 13.592 -4.894 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.046 15.675 -6.692 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.904 15.567 -3.873 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.164 17.067 -4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.534 16.768 -4.803 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.420 15.055 -4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.584 15.475 -2.225 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.143 16.471 -2.284 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.343 17.989 -3.362 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.157 16.676 -0.287 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.944 17.923 0.687 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.360 19.601 -2.104 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.195 19.584 -0.345 1.00 0.00 H new ATOM 723 N LYS A 48 -3.990 14.682 -6.118 1.00 0.00 N ATOM 724 CA LYS A 48 -2.605 14.810 -6.537 1.00 0.00 C ATOM 725 C LYS A 48 -2.484 14.417 -8.010 1.00 0.00 C ATOM 726 O LYS A 48 -1.513 14.777 -8.675 1.00 0.00 O ATOM 727 CB LYS A 48 -1.689 14.008 -5.609 1.00 0.00 C ATOM 728 CG LYS A 48 -1.803 14.502 -4.166 1.00 0.00 C ATOM 729 CD LYS A 48 -1.251 15.923 -4.027 1.00 0.00 C ATOM 730 CE LYS A 48 -0.902 16.235 -2.571 1.00 0.00 C ATOM 731 NZ LYS A 48 0.316 17.073 -2.498 1.00 0.00 N ATOM 0 H LYS A 48 -4.185 13.872 -5.530 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.276 15.846 -6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.952 12.951 -5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.656 14.096 -5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.847 14.481 -3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.258 13.830 -3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.363 16.035 -4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.987 16.640 -4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.735 16.751 -2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.745 15.307 -2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.100 16.512 -2.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.567 17.404 -3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.137 17.892 -1.883 1.00 0.00 H new ATOM 745 N GLY A 49 -3.483 13.683 -8.478 1.00 0.00 N ATOM 746 CA GLY A 49 -3.500 13.237 -9.861 1.00 0.00 C ATOM 747 C GLY A 49 -3.329 11.719 -9.950 1.00 0.00 C ATOM 748 O GLY A 49 -3.309 11.156 -11.043 1.00 0.00 O ATOM 0 H GLY A 49 -4.286 13.386 -7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.440 13.529 -10.329 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.701 13.730 -10.416 1.00 0.00 H new ATOM 752 N PHE A 50 -3.210 11.100 -8.784 1.00 0.00 N ATOM 753 CA PHE A 50 -3.041 9.658 -8.717 1.00 0.00 C ATOM 754 C PHE A 50 -4.329 8.936 -9.117 1.00 0.00 C ATOM 755 O PHE A 50 -5.426 9.398 -8.806 1.00 0.00 O ATOM 756 CB PHE A 50 -2.707 9.314 -7.263 1.00 0.00 C ATOM 757 CG PHE A 50 -1.214 9.373 -6.937 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.330 8.639 -7.664 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.770 10.158 -5.919 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.057 8.693 -7.361 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.616 10.212 -5.616 1.00 0.00 C ATOM 762 CZ PHE A 50 1.500 9.478 -6.344 1.00 0.00 C ATOM 0 H PHE A 50 -3.227 11.570 -7.879 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.253 9.343 -9.401 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.239 10.002 -6.606 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.077 8.313 -7.043 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.682 8.015 -8.472 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.472 10.741 -5.341 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.759 8.110 -7.939 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.968 10.836 -4.808 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.554 9.519 -6.114 1.00 0.00 H new ATOM 772 N ARG A 51 -4.153 7.814 -9.800 1.00 0.00 N ATOM 773 CA ARG A 51 -5.287 7.023 -10.245 1.00 0.00 C ATOM 774 C ARG A 51 -5.697 6.025 -9.161 1.00 0.00 C ATOM 775 O ARG A 51 -5.346 4.848 -9.232 1.00 0.00 O ATOM 776 CB ARG A 51 -4.958 6.263 -11.531 1.00 0.00 C ATOM 777 CG ARG A 51 -6.186 5.518 -12.058 1.00 0.00 C ATOM 778 CD ARG A 51 -5.826 4.656 -13.270 1.00 0.00 C ATOM 779 NE ARG A 51 -6.931 4.682 -14.255 1.00 0.00 N ATOM 780 CZ ARG A 51 -8.152 4.180 -14.027 1.00 0.00 C ATOM 781 NH1 ARG A 51 -8.433 3.610 -12.847 1.00 0.00 N ATOM 782 NH2 ARG A 51 -9.093 4.247 -14.979 1.00 0.00 N ATOM 0 H ARG A 51 -3.242 7.434 -10.056 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.111 7.708 -10.443 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.599 6.960 -12.288 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.152 5.554 -11.342 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.600 4.889 -11.270 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.960 6.234 -12.334 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.909 5.025 -13.730 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.634 3.631 -12.953 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.751 5.109 -15.164 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.717 3.558 -12.122 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.363 3.228 -12.674 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.880 4.680 -15.877 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.023 3.865 -14.805 1.00 0.00 H new ATOM 796 N VAL A 52 -6.433 6.531 -8.183 1.00 0.00 N ATOM 797 CA VAL A 52 -6.894 5.698 -7.085 1.00 0.00 C ATOM 798 C VAL A 52 -8.115 4.894 -7.538 1.00 0.00 C ATOM 799 O VAL A 52 -8.829 5.305 -8.452 1.00 0.00 O ATOM 800 CB VAL A 52 -7.171 6.562 -5.853 1.00 0.00 C ATOM 801 CG1 VAL A 52 -7.604 5.700 -4.665 1.00 0.00 C ATOM 802 CG2 VAL A 52 -5.952 7.414 -5.496 1.00 0.00 C ATOM 0 H VAL A 52 -6.722 7.508 -8.128 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.122 4.984 -6.798 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.992 7.237 -6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.795 6.339 -3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.513 5.156 -4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.813 4.990 -4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.175 8.019 -4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.103 6.764 -5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.707 8.068 -6.333 1.00 0.00 H new ATOM 812 N GLU A 53 -8.317 3.763 -6.879 1.00 0.00 N ATOM 813 CA GLU A 53 -9.439 2.898 -7.202 1.00 0.00 C ATOM 814 C GLU A 53 -10.119 2.410 -5.922 1.00 0.00 C ATOM 815 O GLU A 53 -9.466 2.240 -4.894 1.00 0.00 O ATOM 816 CB GLU A 53 -8.991 1.720 -8.069 1.00 0.00 C ATOM 817 CG GLU A 53 -8.399 2.207 -9.393 1.00 0.00 C ATOM 818 CD GLU A 53 -9.503 2.506 -10.410 1.00 0.00 C ATOM 819 OE1 GLU A 53 -10.055 1.524 -10.953 1.00 0.00 O ATOM 820 OE2 GLU A 53 -9.770 3.708 -10.621 1.00 0.00 O ATOM 0 H GLU A 53 -7.722 3.425 -6.122 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.163 3.475 -7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.250 1.129 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.840 1.065 -8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.805 3.105 -9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.725 1.450 -9.794 1.00 0.00 H new ATOM 827 N ASN A 54 -11.423 2.198 -6.026 1.00 0.00 N ATOM 828 CA ASN A 54 -12.199 1.733 -4.889 1.00 0.00 C ATOM 829 C ASN A 54 -12.034 0.218 -4.750 1.00 0.00 C ATOM 830 O ASN A 54 -11.836 -0.290 -3.648 1.00 0.00 O ATOM 831 CB ASN A 54 -13.687 2.031 -5.079 1.00 0.00 C ATOM 832 CG ASN A 54 -14.104 3.270 -4.284 1.00 0.00 C ATOM 833 OD1 ASN A 54 -14.244 3.244 -3.072 1.00 0.00 O ATOM 834 ND2 ASN A 54 -14.295 4.353 -5.032 1.00 0.00 N ATOM 0 H ASN A 54 -11.962 2.340 -6.880 1.00 0.00 H new ATOM 0 HA ASN A 54 -11.838 2.251 -4.000 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.898 2.185 -6.137 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.277 1.173 -4.758 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.576 5.231 -4.596 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.160 4.306 -6.042 1.00 0.00 H new ATOM 841 N GLU A 55 -12.122 -0.461 -5.885 1.00 0.00 N ATOM 842 CA GLU A 55 -11.985 -1.908 -5.904 1.00 0.00 C ATOM 843 C GLU A 55 -10.698 -2.309 -6.627 1.00 0.00 C ATOM 844 O GLU A 55 -10.266 -1.630 -7.558 1.00 0.00 O ATOM 845 CB GLU A 55 -13.205 -2.565 -6.551 1.00 0.00 C ATOM 846 CG GLU A 55 -13.427 -2.035 -7.968 1.00 0.00 C ATOM 847 CD GLU A 55 -14.540 -2.811 -8.676 1.00 0.00 C ATOM 848 OE1 GLU A 55 -14.209 -3.853 -9.282 1.00 0.00 O ATOM 849 OE2 GLU A 55 -15.697 -2.344 -8.595 1.00 0.00 O ATOM 0 H GLU A 55 -12.286 -0.036 -6.798 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.926 -2.262 -4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.067 -3.646 -6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.090 -2.373 -5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.685 -0.977 -7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.502 -2.116 -8.539 1.00 0.00 H new ATOM 856 N LEU A 56 -10.120 -3.412 -6.172 1.00 0.00 N ATOM 857 CA LEU A 56 -8.891 -3.912 -6.764 1.00 0.00 C ATOM 858 C LEU A 56 -9.153 -4.301 -8.221 1.00 0.00 C ATOM 859 O LEU A 56 -10.010 -5.138 -8.499 1.00 0.00 O ATOM 860 CB LEU A 56 -8.313 -5.049 -5.919 1.00 0.00 C ATOM 861 CG LEU A 56 -6.983 -5.632 -6.400 1.00 0.00 C ATOM 862 CD1 LEU A 56 -7.073 -7.153 -6.548 1.00 0.00 C ATOM 863 CD2 LEU A 56 -6.523 -4.957 -7.693 1.00 0.00 C ATOM 0 H LEU A 56 -10.481 -3.973 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.129 -3.133 -6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.181 -4.687 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.047 -5.854 -5.878 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.226 -5.426 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.115 -7.543 -6.891 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.322 -7.598 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.847 -7.403 -7.274 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.575 -5.390 -8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.272 -5.110 -8.470 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.393 -3.889 -7.520 1.00 0.00 H new ATOM 875 N SER A 57 -8.400 -3.673 -9.112 1.00 0.00 N ATOM 876 CA SER A 57 -8.540 -3.943 -10.533 1.00 0.00 C ATOM 877 C SER A 57 -7.193 -4.368 -11.120 1.00 0.00 C ATOM 878 O SER A 57 -6.181 -4.378 -10.420 1.00 0.00 O ATOM 879 CB SER A 57 -9.080 -2.719 -11.275 1.00 0.00 C ATOM 880 OG SER A 57 -10.460 -2.858 -11.601 1.00 0.00 O ATOM 0 H SER A 57 -7.691 -2.978 -8.878 1.00 0.00 H new ATOM 0 HA SER A 57 -9.256 -4.755 -10.658 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.941 -1.831 -10.659 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.505 -2.566 -12.189 1.00 0.00 H new ATOM 0 HG SER A 57 -10.767 -2.056 -12.072 1.00 0.00 H new ATOM 886 N ASP A 58 -7.222 -4.710 -12.400 1.00 0.00 N ATOM 887 CA ASP A 58 -6.016 -5.136 -13.089 1.00 0.00 C ATOM 888 C ASP A 58 -5.138 -3.915 -13.372 1.00 0.00 C ATOM 889 O ASP A 58 -3.987 -4.055 -13.781 1.00 0.00 O ATOM 890 CB ASP A 58 -6.351 -5.798 -14.427 1.00 0.00 C ATOM 891 CG ASP A 58 -6.528 -4.832 -15.600 1.00 0.00 C ATOM 892 OD1 ASP A 58 -5.494 -4.301 -16.059 1.00 0.00 O ATOM 893 OD2 ASP A 58 -7.694 -4.646 -16.011 1.00 0.00 O ATOM 0 H ASP A 58 -8.062 -4.701 -12.978 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.498 -5.853 -12.452 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.559 -6.505 -14.674 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.268 -6.376 -14.310 1.00 0.00 H new ATOM 898 N SER A 59 -5.716 -2.745 -13.143 1.00 0.00 N ATOM 899 CA SER A 59 -5.000 -1.500 -13.368 1.00 0.00 C ATOM 900 C SER A 59 -4.232 -1.103 -12.106 1.00 0.00 C ATOM 901 O SER A 59 -3.400 -0.197 -12.141 1.00 0.00 O ATOM 902 CB SER A 59 -5.958 -0.381 -13.781 1.00 0.00 C ATOM 903 OG SER A 59 -6.380 -0.512 -15.135 1.00 0.00 O ATOM 0 H SER A 59 -6.671 -2.633 -12.804 1.00 0.00 H new ATOM 0 HA SER A 59 -4.292 -1.654 -14.183 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.830 -0.391 -13.127 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.469 0.584 -13.646 1.00 0.00 H new ATOM 0 HG SER A 59 -6.992 0.220 -15.359 1.00 0.00 H new ATOM 909 N VAL A 60 -4.538 -1.800 -11.021 1.00 0.00 N ATOM 910 CA VAL A 60 -3.886 -1.531 -9.751 1.00 0.00 C ATOM 911 C VAL A 60 -2.444 -2.039 -9.804 1.00 0.00 C ATOM 912 O VAL A 60 -2.210 -3.237 -9.960 1.00 0.00 O ATOM 913 CB VAL A 60 -4.695 -2.146 -8.607 1.00 0.00 C ATOM 914 CG1 VAL A 60 -3.896 -2.136 -7.303 1.00 0.00 C ATOM 915 CG2 VAL A 60 -6.035 -1.428 -8.435 1.00 0.00 C ATOM 0 H VAL A 60 -5.229 -2.550 -10.996 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.845 -0.458 -9.563 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.902 -3.185 -8.864 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.494 -2.579 -6.506 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.980 -2.713 -7.433 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.643 -1.109 -7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.590 -1.885 -7.616 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.858 -0.376 -8.211 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.613 -1.511 -9.355 1.00 0.00 H new ATOM 925 N THR A 61 -1.515 -1.104 -9.673 1.00 0.00 N ATOM 926 CA THR A 61 -0.102 -1.443 -9.704 1.00 0.00 C ATOM 927 C THR A 61 0.527 -1.232 -8.326 1.00 0.00 C ATOM 928 O THR A 61 1.625 -1.718 -8.060 1.00 0.00 O ATOM 929 CB THR A 61 0.558 -0.614 -10.807 1.00 0.00 C ATOM 930 OG1 THR A 61 0.497 0.724 -10.320 1.00 0.00 O ATOM 931 CG2 THR A 61 -0.272 -0.581 -12.092 1.00 0.00 C ATOM 0 H THR A 61 -1.713 -0.112 -9.545 1.00 0.00 H new ATOM 0 HA THR A 61 0.047 -2.497 -9.936 1.00 0.00 H new ATOM 0 HB THR A 61 1.546 -1.021 -11.024 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.648 0.727 -9.352 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.242 0.021 -12.842 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.402 -1.596 -12.468 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.249 -0.144 -11.883 1.00 0.00 H new ATOM 939 N HIS A 62 -0.195 -0.505 -7.485 1.00 0.00 N ATOM 940 CA HIS A 62 0.279 -0.224 -6.141 1.00 0.00 C ATOM 941 C HIS A 62 -0.877 -0.363 -5.149 1.00 0.00 C ATOM 942 O HIS A 62 -1.868 0.361 -5.240 1.00 0.00 O ATOM 943 CB HIS A 62 0.952 1.149 -6.079 1.00 0.00 C ATOM 944 CG HIS A 62 1.849 1.447 -7.256 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.403 2.102 -8.391 1.00 0.00 N ATOM 946 CD2 HIS A 62 3.169 1.174 -7.463 1.00 0.00 C ATOM 947 CE1 HIS A 62 2.417 2.213 -9.236 1.00 0.00 C ATOM 948 NE2 HIS A 62 3.511 1.636 -8.660 1.00 0.00 N ATOM 0 H HIS A 62 -1.105 -0.102 -7.709 1.00 0.00 H new ATOM 0 HA HIS A 62 1.041 -0.951 -5.861 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.181 1.918 -6.019 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.539 1.214 -5.163 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.825 0.668 -6.771 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.384 2.679 -10.210 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.438 1.570 -9.080 1.00 0.00 H new ATOM 956 N ILE A 63 -0.713 -1.298 -4.225 1.00 0.00 N ATOM 957 CA ILE A 63 -1.731 -1.541 -3.217 1.00 0.00 C ATOM 958 C ILE A 63 -1.235 -1.029 -1.864 1.00 0.00 C ATOM 959 O ILE A 63 -0.192 -1.462 -1.377 1.00 0.00 O ATOM 960 CB ILE A 63 -2.133 -3.017 -3.207 1.00 0.00 C ATOM 961 CG1 ILE A 63 -3.156 -3.315 -4.305 1.00 0.00 C ATOM 962 CG2 ILE A 63 -2.636 -3.439 -1.825 1.00 0.00 C ATOM 963 CD1 ILE A 63 -3.513 -4.803 -4.333 1.00 0.00 C ATOM 0 H ILE A 63 0.110 -1.897 -4.153 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.641 -0.989 -3.453 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.247 -3.613 -3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.057 -2.724 -4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.754 -3.016 -5.273 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.915 -4.492 -1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.847 -3.287 -1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.505 -2.839 -1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.242 -4.988 -5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.614 -5.389 -4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.938 -5.093 -3.372 1.00 0.00 H new ATOM 975 N VAL A 64 -2.007 -0.115 -1.294 1.00 0.00 N ATOM 976 CA VAL A 64 -1.659 0.461 -0.006 1.00 0.00 C ATOM 977 C VAL A 64 -2.367 -0.319 1.104 1.00 0.00 C ATOM 978 O VAL A 64 -3.518 -0.721 0.948 1.00 0.00 O ATOM 979 CB VAL A 64 -1.992 1.954 0.007 1.00 0.00 C ATOM 980 CG1 VAL A 64 -1.761 2.555 1.395 1.00 0.00 C ATOM 981 CG2 VAL A 64 -1.186 2.704 -1.056 1.00 0.00 C ATOM 0 H VAL A 64 -2.872 0.241 -1.701 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.587 0.380 0.172 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.049 2.064 -0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.005 3.617 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.397 2.049 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.716 2.428 1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.441 3.763 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.121 2.582 -0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.421 2.302 -2.042 1.00 0.00 H new ATOM 991 N ALA A 65 -1.648 -0.509 2.201 1.00 0.00 N ATOM 992 CA ALA A 65 -2.192 -1.233 3.336 1.00 0.00 C ATOM 993 C ALA A 65 -1.573 -0.691 4.626 1.00 0.00 C ATOM 994 O ALA A 65 -0.357 -0.535 4.717 1.00 0.00 O ATOM 995 CB ALA A 65 -1.941 -2.732 3.154 1.00 0.00 C ATOM 0 H ALA A 65 -0.693 -0.174 2.327 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.270 -1.088 3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.349 -3.275 4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.426 -3.074 2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.869 -2.916 3.087 1.00 0.00 H new ATOM 1001 N GLU A 66 -2.439 -0.418 5.591 1.00 0.00 N ATOM 1002 CA GLU A 66 -1.993 0.104 6.871 1.00 0.00 C ATOM 1003 C GLU A 66 -2.038 -0.993 7.937 1.00 0.00 C ATOM 1004 O GLU A 66 -3.113 -1.467 8.300 1.00 0.00 O ATOM 1005 CB GLU A 66 -2.831 1.312 7.293 1.00 0.00 C ATOM 1006 CG GLU A 66 -2.402 1.824 8.670 1.00 0.00 C ATOM 1007 CD GLU A 66 -3.606 2.332 9.466 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -4.403 1.472 9.900 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -3.701 3.568 9.623 1.00 0.00 O ATOM 0 H GLU A 66 -3.447 -0.549 5.512 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.961 0.438 6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.725 2.108 6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.886 1.037 7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.908 1.024 9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.674 2.627 8.553 1.00 0.00 H new ATOM 1016 N ASN A 67 -0.856 -1.366 8.407 1.00 0.00 N ATOM 1017 CA ASN A 67 -0.747 -2.399 9.423 1.00 0.00 C ATOM 1018 C ASN A 67 -0.970 -3.768 8.778 1.00 0.00 C ATOM 1019 O ASN A 67 -1.592 -4.646 9.375 1.00 0.00 O ATOM 1020 CB ASN A 67 -1.804 -2.212 10.513 1.00 0.00 C ATOM 1021 CG ASN A 67 -1.934 -0.739 10.904 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -0.961 -0.011 11.015 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -3.187 -0.342 11.106 1.00 0.00 N ATOM 0 H ASN A 67 0.034 -0.971 8.103 1.00 0.00 H new ATOM 0 HA ASN A 67 0.246 -2.332 9.868 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.766 -2.584 10.160 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.536 -2.802 11.389 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.379 0.624 11.371 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.956 -1.003 10.996 1.00 0.00 H new ATOM 1030 N ASN A 68 -0.450 -3.909 7.567 1.00 0.00 N ATOM 1031 CA ASN A 68 -0.585 -5.156 6.835 1.00 0.00 C ATOM 1032 C ASN A 68 0.738 -5.477 6.136 1.00 0.00 C ATOM 1033 O ASN A 68 1.161 -4.752 5.237 1.00 0.00 O ATOM 1034 CB ASN A 68 -1.673 -5.052 5.764 1.00 0.00 C ATOM 1035 CG ASN A 68 -3.036 -4.762 6.395 1.00 0.00 C ATOM 1036 OD1 ASN A 68 -3.866 -5.639 6.573 1.00 0.00 O ATOM 1037 ND2 ASN A 68 -3.221 -3.486 6.721 1.00 0.00 N ATOM 0 H ASN A 68 0.066 -3.179 7.075 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.854 -5.937 7.546 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.419 -4.261 5.058 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.721 -5.982 5.197 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.099 -3.191 7.147 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.485 -2.803 6.545 1.00 0.00 H new ATOM 1044 N SER A 69 1.354 -6.565 6.575 1.00 0.00 N ATOM 1045 CA SER A 69 2.620 -6.991 6.002 1.00 0.00 C ATOM 1046 C SER A 69 2.418 -7.416 4.547 1.00 0.00 C ATOM 1047 O SER A 69 1.345 -7.890 4.177 1.00 0.00 O ATOM 1048 CB SER A 69 3.232 -8.137 6.810 1.00 0.00 C ATOM 1049 OG SER A 69 3.124 -7.917 8.214 1.00 0.00 O ATOM 0 H SER A 69 1.000 -7.164 7.321 1.00 0.00 H new ATOM 0 HA SER A 69 3.312 -6.149 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.733 -9.071 6.550 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.282 -8.250 6.540 1.00 0.00 H new ATOM 0 HG SER A 69 3.524 -8.671 8.695 1.00 0.00 H new ATOM 1055 N GLY A 70 3.468 -7.233 3.759 1.00 0.00 N ATOM 1056 CA GLY A 70 3.420 -7.592 2.352 1.00 0.00 C ATOM 1057 C GLY A 70 2.608 -8.871 2.140 1.00 0.00 C ATOM 1058 O GLY A 70 1.710 -8.908 1.301 1.00 0.00 O ATOM 0 H GLY A 70 4.357 -6.841 4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.977 -6.777 1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.433 -7.733 1.974 1.00 0.00 H new ATOM 1062 N SER A 71 2.954 -9.889 2.915 1.00 0.00 N ATOM 1063 CA SER A 71 2.268 -11.166 2.823 1.00 0.00 C ATOM 1064 C SER A 71 0.799 -11.002 3.218 1.00 0.00 C ATOM 1065 O SER A 71 -0.089 -11.548 2.565 1.00 0.00 O ATOM 1066 CB SER A 71 2.941 -12.218 3.707 1.00 0.00 C ATOM 1067 OG SER A 71 2.723 -11.969 5.093 1.00 0.00 O ATOM 0 H SER A 71 3.700 -9.855 3.609 1.00 0.00 H new ATOM 0 HA SER A 71 2.323 -11.509 1.790 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.557 -13.206 3.451 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.012 -12.230 3.505 1.00 0.00 H new ATOM 0 HG SER A 71 3.167 -12.663 5.624 1.00 0.00 H new ATOM 1073 N ASP A 72 0.588 -10.246 4.286 1.00 0.00 N ATOM 1074 CA ASP A 72 -0.758 -10.003 4.777 1.00 0.00 C ATOM 1075 C ASP A 72 -1.638 -9.524 3.621 1.00 0.00 C ATOM 1076 O ASP A 72 -2.858 -9.676 3.661 1.00 0.00 O ATOM 1077 CB ASP A 72 -0.763 -8.919 5.857 1.00 0.00 C ATOM 1078 CG ASP A 72 -1.226 -9.384 7.238 1.00 0.00 C ATOM 1079 OD1 ASP A 72 -1.279 -10.618 7.434 1.00 0.00 O ATOM 1080 OD2 ASP A 72 -1.518 -8.496 8.068 1.00 0.00 O ATOM 0 H ASP A 72 1.327 -9.794 4.825 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.137 -10.934 5.199 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.244 -8.512 5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.409 -8.104 5.529 1.00 0.00 H new ATOM 1085 N VAL A 73 -0.985 -8.954 2.619 1.00 0.00 N ATOM 1086 CA VAL A 73 -1.694 -8.451 1.454 1.00 0.00 C ATOM 1087 C VAL A 73 -1.916 -9.596 0.465 1.00 0.00 C ATOM 1088 O VAL A 73 -2.911 -9.612 -0.259 1.00 0.00 O ATOM 1089 CB VAL A 73 -0.929 -7.274 0.845 1.00 0.00 C ATOM 1090 CG1 VAL A 73 -1.552 -6.846 -0.486 1.00 0.00 C ATOM 1091 CG2 VAL A 73 -0.863 -6.098 1.822 1.00 0.00 C ATOM 0 H VAL A 73 0.027 -8.829 2.589 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.676 -8.072 1.737 1.00 0.00 H new ATOM 0 HB VAL A 73 0.091 -7.603 0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.990 -6.008 -0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.524 -7.681 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.587 -6.544 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.314 -5.275 1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.874 -5.769 2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.354 -6.411 2.734 1.00 0.00 H new ATOM 1101 N LEU A 74 -0.973 -10.527 0.464 1.00 0.00 N ATOM 1102 CA LEU A 74 -1.054 -11.673 -0.425 1.00 0.00 C ATOM 1103 C LEU A 74 -2.328 -12.462 -0.119 1.00 0.00 C ATOM 1104 O LEU A 74 -3.208 -12.583 -0.970 1.00 0.00 O ATOM 1105 CB LEU A 74 0.224 -12.510 -0.337 1.00 0.00 C ATOM 1106 CG LEU A 74 1.388 -12.053 -1.219 1.00 0.00 C ATOM 1107 CD1 LEU A 74 1.307 -12.690 -2.607 1.00 0.00 C ATOM 1108 CD2 LEU A 74 1.453 -10.526 -1.292 1.00 0.00 C ATOM 0 H LEU A 74 -0.149 -10.511 1.065 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.123 -11.346 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.560 -12.515 0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.021 -13.540 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 74 2.317 -12.394 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.146 -12.349 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.346 -13.775 -2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.372 -12.401 -3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.289 -10.227 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.524 -10.142 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.593 -10.119 -0.290 1.00 0.00 H new ATOM 1120 N GLU A 75 -2.388 -12.979 1.100 1.00 0.00 N ATOM 1121 CA GLU A 75 -3.540 -13.753 1.529 1.00 0.00 C ATOM 1122 C GLU A 75 -4.831 -13.117 1.009 1.00 0.00 C ATOM 1123 O GLU A 75 -5.748 -13.820 0.588 1.00 0.00 O ATOM 1124 CB GLU A 75 -3.572 -13.890 3.053 1.00 0.00 C ATOM 1125 CG GLU A 75 -2.326 -14.617 3.564 1.00 0.00 C ATOM 1126 CD GLU A 75 -2.710 -15.827 4.419 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -3.479 -15.620 5.382 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -2.224 -16.931 4.090 1.00 0.00 O ATOM 0 H GLU A 75 -1.657 -12.877 1.804 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.457 -14.755 1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.634 -12.902 3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.466 -14.437 3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.718 -14.942 2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.715 -13.931 4.151 1.00 0.00 H new ATOM 1135 N TRP A 76 -4.860 -11.793 1.056 1.00 0.00 N ATOM 1136 CA TRP A 76 -6.023 -11.054 0.594 1.00 0.00 C ATOM 1137 C TRP A 76 -6.027 -11.085 -0.935 1.00 0.00 C ATOM 1138 O TRP A 76 -7.056 -11.359 -1.552 1.00 0.00 O ATOM 1139 CB TRP A 76 -6.032 -9.634 1.163 1.00 0.00 C ATOM 1140 CG TRP A 76 -7.008 -8.688 0.461 1.00 0.00 C ATOM 1141 CD1 TRP A 76 -8.271 -8.402 0.804 1.00 0.00 C ATOM 1142 CD2 TRP A 76 -6.747 -7.910 -0.726 1.00 0.00 C ATOM 1143 NE1 TRP A 76 -8.841 -7.500 -0.072 1.00 0.00 N ATOM 1144 CE2 TRP A 76 -7.885 -7.191 -1.032 1.00 0.00 C ATOM 1145 CE3 TRP A 76 -5.587 -7.816 -1.516 1.00 0.00 C ATOM 1146 CZ2 TRP A 76 -7.975 -6.329 -2.131 1.00 0.00 C ATOM 1147 CZ3 TRP A 76 -5.694 -6.950 -2.611 1.00 0.00 C ATOM 1148 CH2 TRP A 76 -6.832 -6.220 -2.932 1.00 0.00 C ATOM 0 H TRP A 76 -4.097 -11.213 1.407 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.942 -11.518 0.954 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -6.285 -9.680 2.222 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.026 -9.219 1.093 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.779 -8.824 1.658 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -9.790 -7.129 -0.023 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.685 -8.368 -1.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -8.878 -5.778 -2.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -4.831 -6.842 -3.251 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -6.835 -5.571 -3.796 1.00 0.00 H new ATOM 1159 N LEU A 77 -4.865 -10.800 -1.504 1.00 0.00 N ATOM 1160 CA LEU A 77 -4.721 -10.792 -2.950 1.00 0.00 C ATOM 1161 C LEU A 77 -5.433 -12.012 -3.536 1.00 0.00 C ATOM 1162 O LEU A 77 -6.308 -11.875 -4.390 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.245 -10.695 -3.341 1.00 0.00 C ATOM 1164 CG LEU A 77 -2.912 -9.713 -4.467 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.136 -9.454 -5.347 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -2.324 -8.416 -3.907 1.00 0.00 C ATOM 0 H LEU A 77 -4.014 -10.573 -0.990 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.198 -9.909 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.674 -10.411 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.902 -11.686 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.149 -10.165 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.873 -8.753 -6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.471 -10.392 -5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.937 -9.032 -4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.096 -7.736 -4.728 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.046 -7.948 -3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.410 -8.639 -3.356 1.00 0.00 H new ATOM 1178 N GLN A 78 -5.033 -13.180 -3.054 1.00 0.00 N ATOM 1179 CA GLN A 78 -5.622 -14.424 -3.519 1.00 0.00 C ATOM 1180 C GLN A 78 -7.081 -14.522 -3.068 1.00 0.00 C ATOM 1181 O GLN A 78 -7.901 -15.147 -3.738 1.00 0.00 O ATOM 1182 CB GLN A 78 -4.815 -15.629 -3.031 1.00 0.00 C ATOM 1183 CG GLN A 78 -3.437 -15.670 -3.693 1.00 0.00 C ATOM 1184 CD GLN A 78 -3.024 -17.109 -4.011 1.00 0.00 C ATOM 1185 OE1 GLN A 78 -3.770 -17.883 -4.589 1.00 0.00 O ATOM 1186 NE2 GLN A 78 -1.798 -17.423 -3.602 1.00 0.00 N ATOM 0 H GLN A 78 -4.308 -13.291 -2.346 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.598 -14.430 -4.609 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.701 -15.580 -1.948 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.357 -16.548 -3.253 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.453 -15.081 -4.610 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.699 -15.213 -3.034 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.226 -16.727 -3.124 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.430 -18.360 -3.767 1.00 0.00 H new ATOM 1195 N ALA A 79 -7.360 -13.894 -1.935 1.00 0.00 N ATOM 1196 CA ALA A 79 -8.705 -13.902 -1.386 1.00 0.00 C ATOM 1197 C ALA A 79 -9.646 -13.170 -2.345 1.00 0.00 C ATOM 1198 O ALA A 79 -10.796 -13.571 -2.519 1.00 0.00 O ATOM 1199 CB ALA A 79 -8.692 -13.277 0.010 1.00 0.00 C ATOM 0 H ALA A 79 -6.677 -13.376 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.070 -14.923 -1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.702 -13.283 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.032 -13.852 0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.333 -12.250 -0.055 1.00 0.00 H new ATOM 1205 N GLN A 80 -9.123 -12.109 -2.941 1.00 0.00 N ATOM 1206 CA GLN A 80 -9.903 -11.317 -3.877 1.00 0.00 C ATOM 1207 C GLN A 80 -10.273 -12.155 -5.102 1.00 0.00 C ATOM 1208 O GLN A 80 -9.542 -13.071 -5.476 1.00 0.00 O ATOM 1209 CB GLN A 80 -9.147 -10.051 -4.287 1.00 0.00 C ATOM 1210 CG GLN A 80 -8.727 -9.241 -3.059 1.00 0.00 C ATOM 1211 CD GLN A 80 -9.845 -9.211 -2.014 1.00 0.00 C ATOM 1212 OE1 GLN A 80 -10.875 -8.580 -2.186 1.00 0.00 O ATOM 1213 NE2 GLN A 80 -9.585 -9.927 -0.924 1.00 0.00 N ATOM 0 H GLN A 80 -8.169 -11.779 -2.794 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.823 -11.007 -3.382 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.265 -10.322 -4.867 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.778 -9.439 -4.932 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.828 -9.675 -2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.476 -8.223 -3.358 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.702 -10.432 -0.844 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.268 -9.971 -0.168 1.00 0.00 H new ATOM 1222 N LYS A 81 -11.408 -11.812 -5.693 1.00 0.00 N ATOM 1223 CA LYS A 81 -11.884 -12.521 -6.869 1.00 0.00 C ATOM 1224 C LYS A 81 -11.343 -11.838 -8.126 1.00 0.00 C ATOM 1225 O LYS A 81 -11.471 -12.367 -9.229 1.00 0.00 O ATOM 1226 CB LYS A 81 -13.409 -12.641 -6.841 1.00 0.00 C ATOM 1227 CG LYS A 81 -13.923 -13.386 -8.074 1.00 0.00 C ATOM 1228 CD LYS A 81 -15.047 -14.355 -7.701 1.00 0.00 C ATOM 1229 CE LYS A 81 -15.092 -15.541 -8.665 1.00 0.00 C ATOM 1230 NZ LYS A 81 -15.515 -15.099 -10.013 1.00 0.00 N ATOM 0 H LYS A 81 -12.012 -11.052 -5.380 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.507 -13.544 -6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.719 -13.167 -5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.855 -11.647 -6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.286 -12.670 -8.811 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.104 -13.935 -8.539 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.898 -14.715 -6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -16.003 -13.832 -7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.109 -16.009 -8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.783 -16.296 -8.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.540 -15.917 -10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.462 -14.673 -9.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.840 -14.395 -10.375 1.00 0.00 H new ATOM 1244 N VAL A 82 -10.751 -10.671 -7.918 1.00 0.00 N ATOM 1245 CA VAL A 82 -10.190 -9.909 -9.021 1.00 0.00 C ATOM 1246 C VAL A 82 -8.770 -10.401 -9.305 1.00 0.00 C ATOM 1247 O VAL A 82 -7.879 -10.254 -8.470 1.00 0.00 O ATOM 1248 CB VAL A 82 -10.253 -8.413 -8.709 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -10.237 -8.166 -7.199 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -9.114 -7.660 -9.399 1.00 0.00 C ATOM 0 H VAL A 82 -10.648 -10.234 -7.002 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.775 -10.063 -9.928 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.195 -8.029 -9.101 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.283 -7.094 -7.005 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.097 -8.655 -6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.320 -8.573 -6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.182 -6.599 -9.160 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.157 -8.049 -9.051 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.190 -7.795 -10.478 1.00 0.00 H new ATOM 1260 N GLN A 83 -8.603 -10.977 -10.487 1.00 0.00 N ATOM 1261 CA GLN A 83 -7.306 -11.492 -10.892 1.00 0.00 C ATOM 1262 C GLN A 83 -6.490 -10.395 -11.579 1.00 0.00 C ATOM 1263 O GLN A 83 -6.386 -10.370 -12.805 1.00 0.00 O ATOM 1264 CB GLN A 83 -7.460 -12.712 -11.801 1.00 0.00 C ATOM 1265 CG GLN A 83 -8.166 -13.855 -11.070 1.00 0.00 C ATOM 1266 CD GLN A 83 -8.566 -14.965 -12.044 1.00 0.00 C ATOM 1267 OE1 GLN A 83 -7.737 -15.640 -12.632 1.00 0.00 O ATOM 1268 NE2 GLN A 83 -9.881 -15.116 -12.182 1.00 0.00 N ATOM 0 H GLN A 83 -9.344 -11.098 -11.177 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.769 -11.811 -9.999 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.028 -12.438 -12.690 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -6.479 -13.044 -12.140 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.508 -14.261 -10.301 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -9.053 -13.474 -10.563 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.521 -14.517 -11.660 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.249 -15.831 -12.810 1.00 0.00 H new ATOM 1277 N VAL A 84 -5.933 -9.515 -10.761 1.00 0.00 N ATOM 1278 CA VAL A 84 -5.130 -8.418 -11.275 1.00 0.00 C ATOM 1279 C VAL A 84 -4.272 -8.922 -12.437 1.00 0.00 C ATOM 1280 O VAL A 84 -3.892 -10.091 -12.472 1.00 0.00 O ATOM 1281 CB VAL A 84 -4.304 -7.800 -10.145 1.00 0.00 C ATOM 1282 CG1 VAL A 84 -3.209 -8.762 -9.678 1.00 0.00 C ATOM 1283 CG2 VAL A 84 -3.709 -6.457 -10.572 1.00 0.00 C ATOM 0 H VAL A 84 -6.022 -9.539 -9.745 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.769 -7.625 -11.663 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.971 -7.617 -9.303 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.636 -8.299 -8.874 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.665 -9.683 -9.315 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.545 -8.990 -10.512 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.127 -6.039 -9.751 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.062 -6.604 -11.437 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.513 -5.769 -10.833 1.00 0.00 H new ATOM 1293 N SER A 85 -3.991 -8.014 -13.360 1.00 0.00 N ATOM 1294 CA SER A 85 -3.185 -8.351 -14.521 1.00 0.00 C ATOM 1295 C SER A 85 -1.758 -8.690 -14.086 1.00 0.00 C ATOM 1296 O SER A 85 -0.974 -9.217 -14.874 1.00 0.00 O ATOM 1297 CB SER A 85 -3.172 -7.205 -15.535 1.00 0.00 C ATOM 1298 OG SER A 85 -3.874 -7.541 -16.729 1.00 0.00 O ATOM 0 H SER A 85 -4.307 -7.045 -13.327 1.00 0.00 H new ATOM 0 HA SER A 85 -3.628 -9.222 -15.004 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.622 -6.319 -15.087 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.141 -6.949 -15.780 1.00 0.00 H new ATOM 0 HG SER A 85 -3.844 -6.783 -17.350 1.00 0.00 H new ATOM 1304 N SER A 86 -1.465 -8.376 -12.833 1.00 0.00 N ATOM 1305 CA SER A 86 -0.146 -8.641 -12.284 1.00 0.00 C ATOM 1306 C SER A 86 -0.075 -8.155 -10.834 1.00 0.00 C ATOM 1307 O SER A 86 -0.670 -7.136 -10.488 1.00 0.00 O ATOM 1308 CB SER A 86 0.945 -7.971 -13.122 1.00 0.00 C ATOM 1309 OG SER A 86 1.293 -6.685 -12.615 1.00 0.00 O ATOM 0 H SER A 86 -2.118 -7.940 -12.182 1.00 0.00 H new ATOM 0 HA SER A 86 0.024 -9.717 -12.309 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.831 -8.606 -13.139 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.603 -7.874 -14.152 1.00 0.00 H new ATOM 0 HG SER A 86 1.993 -6.291 -13.176 1.00 0.00 H new ATOM 1315 N GLN A 87 0.657 -8.908 -10.027 1.00 0.00 N ATOM 1316 CA GLN A 87 0.813 -8.568 -8.623 1.00 0.00 C ATOM 1317 C GLN A 87 1.203 -7.096 -8.474 1.00 0.00 C ATOM 1318 O GLN A 87 2.240 -6.670 -8.981 1.00 0.00 O ATOM 1319 CB GLN A 87 1.841 -9.478 -7.949 1.00 0.00 C ATOM 1320 CG GLN A 87 1.202 -10.282 -6.815 1.00 0.00 C ATOM 1321 CD GLN A 87 2.042 -11.514 -6.474 1.00 0.00 C ATOM 1322 OE1 GLN A 87 3.208 -11.426 -6.125 1.00 0.00 O ATOM 1323 NE2 GLN A 87 1.388 -12.666 -6.596 1.00 0.00 N ATOM 0 H GLN A 87 1.149 -9.753 -10.318 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.143 -8.723 -8.123 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.268 -10.158 -8.686 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.661 -8.877 -7.556 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.099 -9.652 -5.931 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.198 -10.591 -7.105 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.412 -12.669 -6.893 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.862 -13.546 -6.393 1.00 0.00 H new ATOM 1332 N PRO A 88 0.330 -6.339 -7.758 1.00 0.00 N ATOM 1333 CA PRO A 88 0.572 -4.924 -7.536 1.00 0.00 C ATOM 1334 C PRO A 88 1.667 -4.713 -6.488 1.00 0.00 C ATOM 1335 O PRO A 88 2.113 -5.665 -5.851 1.00 0.00 O ATOM 1336 CB PRO A 88 -0.773 -4.355 -7.113 1.00 0.00 C ATOM 1337 CG PRO A 88 -1.605 -5.545 -6.664 1.00 0.00 C ATOM 1338 CD PRO A 88 -0.908 -6.809 -7.143 1.00 0.00 C ATOM 0 HA PRO A 88 0.941 -4.416 -8.427 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.655 -3.633 -6.305 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.253 -3.832 -7.940 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.706 -5.553 -5.579 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.612 -5.484 -7.077 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.706 -7.488 -6.315 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.524 -7.354 -7.859 1.00 0.00 H new ATOM 1346 N GLU A 89 2.069 -3.458 -6.343 1.00 0.00 N ATOM 1347 CA GLU A 89 3.103 -3.110 -5.383 1.00 0.00 C ATOM 1348 C GLU A 89 2.491 -2.898 -3.997 1.00 0.00 C ATOM 1349 O GLU A 89 1.704 -1.975 -3.797 1.00 0.00 O ATOM 1350 CB GLU A 89 3.876 -1.871 -5.837 1.00 0.00 C ATOM 1351 CG GLU A 89 5.039 -2.255 -6.754 1.00 0.00 C ATOM 1352 CD GLU A 89 5.002 -1.449 -8.054 1.00 0.00 C ATOM 1353 OE1 GLU A 89 4.196 -1.825 -8.932 1.00 0.00 O ATOM 1354 OE2 GLU A 89 5.781 -0.475 -8.140 1.00 0.00 O ATOM 0 H GLU A 89 1.697 -2.670 -6.874 1.00 0.00 H new ATOM 0 HA GLU A 89 3.810 -3.937 -5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.204 -1.191 -6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.256 -1.336 -4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.984 -2.080 -6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.991 -3.320 -6.981 1.00 0.00 H new ATOM 1361 N LEU A 90 2.876 -3.769 -3.076 1.00 0.00 N ATOM 1362 CA LEU A 90 2.376 -3.689 -1.714 1.00 0.00 C ATOM 1363 C LEU A 90 3.247 -2.721 -0.911 1.00 0.00 C ATOM 1364 O LEU A 90 4.447 -2.942 -0.757 1.00 0.00 O ATOM 1365 CB LEU A 90 2.278 -5.085 -1.096 1.00 0.00 C ATOM 1366 CG LEU A 90 1.819 -6.204 -2.035 1.00 0.00 C ATOM 1367 CD1 LEU A 90 1.626 -7.515 -1.271 1.00 0.00 C ATOM 1368 CD2 LEU A 90 0.559 -5.795 -2.800 1.00 0.00 C ATOM 0 H LEU A 90 3.529 -4.534 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 90 1.362 -3.289 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.256 -5.353 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.589 -5.040 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 90 2.603 -6.374 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.300 -8.293 -1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.569 -7.810 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.871 -7.377 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.254 -6.607 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.243 -5.581 -2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.766 -4.904 -3.393 1.00 0.00 H new ATOM 1380 N LEU A 91 2.608 -1.669 -0.421 1.00 0.00 N ATOM 1381 CA LEU A 91 3.310 -0.666 0.363 1.00 0.00 C ATOM 1382 C LEU A 91 2.416 -0.208 1.516 1.00 0.00 C ATOM 1383 O LEU A 91 1.195 -0.349 1.454 1.00 0.00 O ATOM 1384 CB LEU A 91 3.789 0.477 -0.535 1.00 0.00 C ATOM 1385 CG LEU A 91 4.088 0.107 -1.989 1.00 0.00 C ATOM 1386 CD1 LEU A 91 3.754 1.266 -2.930 1.00 0.00 C ATOM 1387 CD2 LEU A 91 5.536 -0.362 -2.149 1.00 0.00 C ATOM 0 H LEU A 91 1.612 -1.489 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 91 4.210 -1.091 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.031 1.260 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.691 0.904 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 91 3.446 -0.729 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.976 0.976 -3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.696 1.512 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.352 2.137 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.722 -0.619 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.213 0.437 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.706 -1.238 -1.524 1.00 0.00 H new ATOM 1399 N ASP A 92 3.057 0.330 2.543 1.00 0.00 N ATOM 1400 CA ASP A 92 2.335 0.809 3.709 1.00 0.00 C ATOM 1401 C ASP A 92 1.693 2.159 3.386 1.00 0.00 C ATOM 1402 O ASP A 92 2.103 2.837 2.446 1.00 0.00 O ATOM 1403 CB ASP A 92 3.277 1.006 4.898 1.00 0.00 C ATOM 1404 CG ASP A 92 2.602 1.482 6.186 1.00 0.00 C ATOM 1405 OD1 ASP A 92 1.987 0.625 6.855 1.00 0.00 O ATOM 1406 OD2 ASP A 92 2.717 2.694 6.472 1.00 0.00 O ATOM 0 H ASP A 92 4.069 0.445 2.592 1.00 0.00 H new ATOM 0 HA ASP A 92 1.580 0.066 3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.786 0.063 5.099 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.044 1.729 4.619 1.00 0.00 H new ATOM 1411 N VAL A 93 0.695 2.510 4.185 1.00 0.00 N ATOM 1412 CA VAL A 93 -0.008 3.768 3.996 1.00 0.00 C ATOM 1413 C VAL A 93 1.004 4.915 3.975 1.00 0.00 C ATOM 1414 O VAL A 93 0.777 5.936 3.327 1.00 0.00 O ATOM 1415 CB VAL A 93 -1.080 3.936 5.075 1.00 0.00 C ATOM 1416 CG1 VAL A 93 -0.473 3.808 6.474 1.00 0.00 C ATOM 1417 CG2 VAL A 93 -1.815 5.268 4.915 1.00 0.00 C ATOM 0 H VAL A 93 0.357 1.945 4.964 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.527 3.775 3.037 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.809 3.135 4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.255 3.931 7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.017 2.824 6.584 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.287 4.577 6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.571 5.362 5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.103 6.089 4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.295 5.303 3.937 1.00 0.00 H new ATOM 1427 N SER A 94 2.100 4.708 4.691 1.00 0.00 N ATOM 1428 CA SER A 94 3.147 5.712 4.763 1.00 0.00 C ATOM 1429 C SER A 94 3.495 6.207 3.357 1.00 0.00 C ATOM 1430 O SER A 94 3.600 7.411 3.127 1.00 0.00 O ATOM 1431 CB SER A 94 4.395 5.159 5.454 1.00 0.00 C ATOM 1432 OG SER A 94 4.612 3.785 5.143 1.00 0.00 O ATOM 0 H SER A 94 2.285 3.860 5.226 1.00 0.00 H new ATOM 0 HA SER A 94 2.777 6.549 5.356 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.265 5.741 5.151 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.294 5.275 6.533 1.00 0.00 H new ATOM 0 HG SER A 94 4.188 3.224 5.826 1.00 0.00 H new ATOM 1438 N TRP A 95 3.664 5.253 2.454 1.00 0.00 N ATOM 1439 CA TRP A 95 3.998 5.576 1.077 1.00 0.00 C ATOM 1440 C TRP A 95 2.927 6.528 0.542 1.00 0.00 C ATOM 1441 O TRP A 95 3.226 7.665 0.181 1.00 0.00 O ATOM 1442 CB TRP A 95 4.145 4.307 0.236 1.00 0.00 C ATOM 1443 CG TRP A 95 4.649 4.558 -1.187 1.00 0.00 C ATOM 1444 CD1 TRP A 95 5.865 4.970 -1.570 1.00 0.00 C ATOM 1445 CD2 TRP A 95 3.896 4.394 -2.407 1.00 0.00 C ATOM 1446 NE1 TRP A 95 5.951 5.085 -2.943 1.00 0.00 N ATOM 1447 CE2 TRP A 95 4.716 4.723 -3.468 1.00 0.00 C ATOM 1448 CE3 TRP A 95 2.567 3.982 -2.608 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 4.298 4.674 -4.803 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 2.165 3.939 -3.949 1.00 0.00 C ATOM 1451 CH2 TRP A 95 2.977 4.266 -5.028 1.00 0.00 C ATOM 0 H TRP A 95 3.576 4.256 2.649 1.00 0.00 H new ATOM 0 HA TRP A 95 4.966 6.074 1.021 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.833 3.628 0.739 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.180 3.803 0.185 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.676 5.185 -0.890 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.770 5.381 -3.474 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.908 3.720 -1.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.959 4.937 -5.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.152 3.630 -4.159 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.592 4.206 -6.035 1.00 0.00 H new ATOM 1462 N LEU A 96 1.700 6.027 0.507 1.00 0.00 N ATOM 1463 CA LEU A 96 0.583 6.819 0.021 1.00 0.00 C ATOM 1464 C LEU A 96 0.612 8.196 0.687 1.00 0.00 C ATOM 1465 O LEU A 96 0.485 9.218 0.014 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.734 6.067 0.222 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.893 6.488 -0.684 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -2.819 7.472 0.033 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -1.375 7.050 -2.010 1.00 0.00 C ATOM 0 H LEU A 96 1.456 5.083 0.807 1.00 0.00 H new ATOM 0 HA LEU A 96 0.670 6.982 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.549 5.004 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.046 6.192 1.259 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.484 5.602 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.634 7.755 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.228 7.001 0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.256 8.361 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.218 7.342 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.749 7.921 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.789 6.288 -2.524 1.00 0.00 H new ATOM 1481 N ILE A 97 0.780 8.180 2.001 1.00 0.00 N ATOM 1482 CA ILE A 97 0.828 9.415 2.765 1.00 0.00 C ATOM 1483 C ILE A 97 1.866 10.353 2.146 1.00 0.00 C ATOM 1484 O ILE A 97 1.562 11.503 1.837 1.00 0.00 O ATOM 1485 CB ILE A 97 1.071 9.119 4.246 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -0.187 8.549 4.906 1.00 0.00 C ATOM 1487 CG2 ILE A 97 1.588 10.361 4.976 1.00 0.00 C ATOM 1488 CD1 ILE A 97 0.105 8.086 6.334 1.00 0.00 C ATOM 0 H ILE A 97 0.885 7.331 2.556 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.132 9.929 2.720 1.00 0.00 H new ATOM 0 HB ILE A 97 1.846 8.356 4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.970 9.307 4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.563 7.712 4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.752 10.123 6.027 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.527 10.683 4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.853 11.162 4.896 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.805 7.685 6.780 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.871 7.311 6.316 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.457 8.931 6.926 1.00 0.00 H new ATOM 1500 N GLU A 98 3.071 9.825 1.985 1.00 0.00 N ATOM 1501 CA GLU A 98 4.156 10.601 1.409 1.00 0.00 C ATOM 1502 C GLU A 98 3.833 10.971 -0.040 1.00 0.00 C ATOM 1503 O GLU A 98 4.069 12.101 -0.464 1.00 0.00 O ATOM 1504 CB GLU A 98 5.481 9.841 1.499 1.00 0.00 C ATOM 1505 CG GLU A 98 6.001 9.815 2.937 1.00 0.00 C ATOM 1506 CD GLU A 98 7.254 10.682 3.083 1.00 0.00 C ATOM 1507 OE1 GLU A 98 7.080 11.894 3.331 1.00 0.00 O ATOM 1508 OE2 GLU A 98 8.358 10.112 2.944 1.00 0.00 O ATOM 0 H GLU A 98 3.319 8.870 2.243 1.00 0.00 H new ATOM 0 HA GLU A 98 4.263 11.521 1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.345 8.821 1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.219 10.312 0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.226 10.173 3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.228 8.789 3.227 1.00 0.00 H new ATOM 1515 N CYS A 99 3.299 9.996 -0.761 1.00 0.00 N ATOM 1516 CA CYS A 99 2.941 10.204 -2.154 1.00 0.00 C ATOM 1517 C CYS A 99 2.071 11.460 -2.244 1.00 0.00 C ATOM 1518 O CYS A 99 2.051 12.133 -3.273 1.00 0.00 O ATOM 1519 CB CYS A 99 2.240 8.981 -2.747 1.00 0.00 C ATOM 1520 SG CYS A 99 3.481 7.738 -3.262 1.00 0.00 S ATOM 0 H CYS A 99 3.106 9.059 -0.406 1.00 0.00 H new ATOM 0 HA CYS A 99 3.845 10.346 -2.747 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.562 8.548 -2.011 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.634 9.278 -3.603 1.00 0.00 H new ATOM 0 HG CYS A 99 3.208 6.596 -2.705 1.00 0.00 H new ATOM 1526 N ILE A 100 1.374 11.737 -1.152 1.00 0.00 N ATOM 1527 CA ILE A 100 0.504 12.899 -1.094 1.00 0.00 C ATOM 1528 C ILE A 100 1.336 14.137 -0.751 1.00 0.00 C ATOM 1529 O ILE A 100 1.472 15.045 -1.571 1.00 0.00 O ATOM 1530 CB ILE A 100 -0.657 12.653 -0.130 1.00 0.00 C ATOM 1531 CG1 ILE A 100 -1.637 11.626 -0.702 1.00 0.00 C ATOM 1532 CG2 ILE A 100 -1.353 13.965 0.239 1.00 0.00 C ATOM 1533 CD1 ILE A 100 -2.581 11.105 0.383 1.00 0.00 C ATOM 0 H ILE A 100 1.394 11.176 -0.300 1.00 0.00 H new ATOM 0 HA ILE A 100 0.047 13.080 -2.067 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.252 12.234 0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.217 12.080 -1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.084 10.794 -1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.175 13.760 0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.638 14.634 0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.743 14.436 -0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.267 10.377 -0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.000 10.630 1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.150 11.936 0.800 1.00 0.00 H new ATOM 1545 N GLY A 101 1.871 14.134 0.461 1.00 0.00 N ATOM 1546 CA GLY A 101 2.686 15.245 0.922 1.00 0.00 C ATOM 1547 C GLY A 101 3.825 15.533 -0.058 1.00 0.00 C ATOM 1548 O GLY A 101 4.410 16.615 -0.035 1.00 0.00 O ATOM 0 H GLY A 101 1.756 13.380 1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.065 16.134 1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.097 15.016 1.905 1.00 0.00 H new ATOM 1552 N ALA A 102 4.106 14.546 -0.897 1.00 0.00 N ATOM 1553 CA ALA A 102 5.164 14.681 -1.883 1.00 0.00 C ATOM 1554 C ALA A 102 4.555 15.088 -3.226 1.00 0.00 C ATOM 1555 O ALA A 102 5.245 15.637 -4.083 1.00 0.00 O ATOM 1556 CB ALA A 102 5.949 13.370 -1.972 1.00 0.00 C ATOM 0 H ALA A 102 3.619 13.650 -0.914 1.00 0.00 H new ATOM 0 HA ALA A 102 5.865 15.462 -1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.743 13.471 -2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.386 13.141 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.278 12.563 -2.268 1.00 0.00 H new ATOM 1562 N GLY A 103 3.269 14.802 -3.367 1.00 0.00 N ATOM 1563 CA GLY A 103 2.560 15.131 -4.592 1.00 0.00 C ATOM 1564 C GLY A 103 3.145 14.374 -5.785 1.00 0.00 C ATOM 1565 O GLY A 103 3.133 14.875 -6.909 1.00 0.00 O ATOM 0 H GLY A 103 2.700 14.346 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.504 14.884 -4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.619 16.204 -4.773 1.00 0.00 H new ATOM 1569 N LYS A 104 3.645 13.181 -5.501 1.00 0.00 N ATOM 1570 CA LYS A 104 4.234 12.350 -6.537 1.00 0.00 C ATOM 1571 C LYS A 104 4.515 10.957 -5.970 1.00 0.00 C ATOM 1572 O LYS A 104 4.487 10.760 -4.756 1.00 0.00 O ATOM 1573 CB LYS A 104 5.467 13.031 -7.133 1.00 0.00 C ATOM 1574 CG LYS A 104 6.716 12.728 -6.303 1.00 0.00 C ATOM 1575 CD LYS A 104 7.982 13.187 -7.029 1.00 0.00 C ATOM 1576 CE LYS A 104 9.216 13.018 -6.140 1.00 0.00 C ATOM 1577 NZ LYS A 104 9.763 11.649 -6.268 1.00 0.00 N ATOM 0 H LYS A 104 3.654 12.770 -4.568 1.00 0.00 H new ATOM 0 HA LYS A 104 3.537 12.223 -7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.615 12.690 -8.158 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.307 14.108 -7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.645 13.228 -5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.774 11.658 -6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.108 12.611 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.880 14.232 -7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.976 13.747 -6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.953 13.215 -5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.600 11.551 -5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.041 10.958 -5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.033 11.474 -7.257 1.00 0.00 H new ATOM 1591 N PRO A 105 4.785 10.002 -6.899 1.00 0.00 N ATOM 1592 CA PRO A 105 5.071 8.633 -6.504 1.00 0.00 C ATOM 1593 C PRO A 105 6.480 8.513 -5.920 1.00 0.00 C ATOM 1594 O PRO A 105 7.418 8.143 -6.625 1.00 0.00 O ATOM 1595 CB PRO A 105 4.880 7.811 -7.769 1.00 0.00 C ATOM 1596 CG PRO A 105 4.950 8.798 -8.922 1.00 0.00 C ATOM 1597 CD PRO A 105 4.827 10.198 -8.345 1.00 0.00 C ATOM 0 HA PRO A 105 4.413 8.278 -5.711 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.654 7.049 -7.860 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.921 7.292 -7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.891 8.689 -9.461 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.149 8.608 -9.636 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.673 10.821 -8.635 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.926 10.696 -8.703 1.00 0.00 H new ATOM 1605 N VAL A 106 6.584 8.832 -4.639 1.00 0.00 N ATOM 1606 CA VAL A 106 7.862 8.765 -3.952 1.00 0.00 C ATOM 1607 C VAL A 106 8.581 7.473 -4.346 1.00 0.00 C ATOM 1608 O VAL A 106 7.962 6.552 -4.877 1.00 0.00 O ATOM 1609 CB VAL A 106 7.653 8.897 -2.442 1.00 0.00 C ATOM 1610 CG1 VAL A 106 7.316 10.339 -2.059 1.00 0.00 C ATOM 1611 CG2 VAL A 106 6.571 7.932 -1.953 1.00 0.00 C ATOM 0 H VAL A 106 5.803 9.138 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 106 8.500 9.596 -4.251 1.00 0.00 H new ATOM 0 HB VAL A 106 8.588 8.630 -1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.172 10.405 -0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.134 10.995 -2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.401 10.646 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.442 8.046 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.630 8.154 -2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 106 6.869 6.908 -2.177 1.00 0.00 H new ATOM 1621 N GLU A 107 9.876 7.446 -4.070 1.00 0.00 N ATOM 1622 CA GLU A 107 10.685 6.282 -4.389 1.00 0.00 C ATOM 1623 C GLU A 107 10.574 5.237 -3.277 1.00 0.00 C ATOM 1624 O GLU A 107 10.440 5.585 -2.105 1.00 0.00 O ATOM 1625 CB GLU A 107 12.145 6.677 -4.626 1.00 0.00 C ATOM 1626 CG GLU A 107 12.903 6.791 -3.302 1.00 0.00 C ATOM 1627 CD GLU A 107 13.864 7.982 -3.322 1.00 0.00 C ATOM 1628 OE1 GLU A 107 13.357 9.118 -3.445 1.00 0.00 O ATOM 1629 OE2 GLU A 107 15.083 7.729 -3.213 1.00 0.00 O ATOM 0 H GLU A 107 10.386 8.212 -3.629 1.00 0.00 H new ATOM 0 HA GLU A 107 10.307 5.843 -5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.627 5.936 -5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.187 7.628 -5.156 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.194 6.904 -2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.460 5.872 -3.117 1.00 0.00 H new ATOM 1636 N MET A 108 10.632 3.978 -3.685 1.00 0.00 N ATOM 1637 CA MET A 108 10.539 2.880 -2.737 1.00 0.00 C ATOM 1638 C MET A 108 11.897 2.595 -2.092 1.00 0.00 C ATOM 1639 O MET A 108 12.803 2.081 -2.746 1.00 0.00 O ATOM 1640 CB MET A 108 10.043 1.625 -3.458 1.00 0.00 C ATOM 1641 CG MET A 108 8.522 1.650 -3.617 1.00 0.00 C ATOM 1642 SD MET A 108 8.052 0.816 -5.124 1.00 0.00 S ATOM 1643 CE MET A 108 6.917 2.016 -5.801 1.00 0.00 C ATOM 0 H MET A 108 10.742 3.694 -4.658 1.00 0.00 H new ATOM 0 HA MET A 108 9.837 3.161 -1.952 1.00 0.00 H new ATOM 0 HB2 MET A 108 10.514 1.555 -4.439 1.00 0.00 H new ATOM 0 HB3 MET A 108 10.339 0.738 -2.898 1.00 0.00 H new ATOM 0 HG2 MET A 108 8.051 1.166 -2.762 1.00 0.00 H new ATOM 0 HG3 MET A 108 8.167 2.680 -3.636 1.00 0.00 H new ATOM 0 HE1 MET A 108 6.526 1.652 -6.751 1.00 0.00 H new ATOM 0 HE2 MET A 108 6.093 2.170 -5.105 1.00 0.00 H new ATOM 0 HE3 MET A 108 7.438 2.960 -5.961 1.00 0.00 H new ATOM 1653 N THR A 109 11.996 2.943 -0.818 1.00 0.00 N ATOM 1654 CA THR A 109 13.228 2.731 -0.077 1.00 0.00 C ATOM 1655 C THR A 109 13.025 1.665 1.002 1.00 0.00 C ATOM 1656 O THR A 109 13.505 1.814 2.124 1.00 0.00 O ATOM 1657 CB THR A 109 13.682 4.081 0.480 1.00 0.00 C ATOM 1658 OG1 THR A 109 12.508 4.621 1.082 1.00 0.00 O ATOM 1659 CG2 THR A 109 14.031 5.083 -0.622 1.00 0.00 C ATOM 0 H THR A 109 11.243 3.371 -0.279 1.00 0.00 H new ATOM 0 HA THR A 109 14.018 2.347 -0.723 1.00 0.00 H new ATOM 0 HB THR A 109 14.549 3.934 1.124 1.00 0.00 H new ATOM 0 HG1 THR A 109 12.667 5.556 1.328 1.00 0.00 H new ATOM 0 HG21 THR A 109 14.347 6.024 -0.171 1.00 0.00 H new ATOM 0 HG22 THR A 109 14.840 4.684 -1.234 1.00 0.00 H new ATOM 0 HG23 THR A 109 13.155 5.256 -1.247 1.00 0.00 H new ATOM 1667 N GLY A 110 12.314 0.614 0.623 1.00 0.00 N ATOM 1668 CA GLY A 110 12.042 -0.477 1.544 1.00 0.00 C ATOM 1669 C GLY A 110 10.927 -0.103 2.523 1.00 0.00 C ATOM 1670 O GLY A 110 9.861 -0.717 2.519 1.00 0.00 O ATOM 0 H GLY A 110 11.918 0.494 -0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.756 -1.367 0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.948 -0.725 2.097 1.00 0.00 H new ATOM 1674 N LYS A 111 11.211 0.903 3.338 1.00 0.00 N ATOM 1675 CA LYS A 111 10.245 1.366 4.320 1.00 0.00 C ATOM 1676 C LYS A 111 8.850 1.377 3.691 1.00 0.00 C ATOM 1677 O LYS A 111 7.927 0.750 4.209 1.00 0.00 O ATOM 1678 CB LYS A 111 10.671 2.719 4.894 1.00 0.00 C ATOM 1679 CG LYS A 111 10.856 3.753 3.781 1.00 0.00 C ATOM 1680 CD LYS A 111 11.696 4.936 4.266 1.00 0.00 C ATOM 1681 CE LYS A 111 10.811 6.147 4.569 1.00 0.00 C ATOM 1682 NZ LYS A 111 10.594 6.279 6.028 1.00 0.00 N ATOM 0 H LYS A 111 12.096 1.410 3.338 1.00 0.00 H new ATOM 0 HA LYS A 111 10.207 0.683 5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 111 9.920 3.071 5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.602 2.606 5.449 1.00 0.00 H new ATOM 0 HG2 LYS A 111 11.340 3.286 2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 111 9.882 4.108 3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.249 4.652 5.161 1.00 0.00 H new ATOM 0 HD3 LYS A 111 12.432 5.200 3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 111 11.278 7.052 4.182 1.00 0.00 H new ATOM 0 HE3 LYS A 111 9.853 6.041 4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 9.992 7.106 6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 10.128 5.422 6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 11.510 6.402 6.505 1.00 0.00 H new ATOM 1696 N HIS A 112 8.740 2.095 2.583 1.00 0.00 N ATOM 1697 CA HIS A 112 7.474 2.195 1.879 1.00 0.00 C ATOM 1698 C HIS A 112 6.907 0.795 1.640 1.00 0.00 C ATOM 1699 O HIS A 112 5.711 0.567 1.817 1.00 0.00 O ATOM 1700 CB HIS A 112 7.633 2.998 0.586 1.00 0.00 C ATOM 1701 CG HIS A 112 8.257 4.360 0.782 1.00 0.00 C ATOM 1702 ND1 HIS A 112 8.874 5.056 -0.243 1.00 0.00 N ATOM 1703 CD2 HIS A 112 8.351 5.146 1.892 1.00 0.00 C ATOM 1704 CE1 HIS A 112 9.316 6.207 0.241 1.00 0.00 C ATOM 1705 NE2 HIS A 112 8.992 6.261 1.564 1.00 0.00 N ATOM 0 H HIS A 112 9.508 2.613 2.156 1.00 0.00 H new ATOM 0 HA HIS A 112 6.756 2.740 2.492 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.245 2.426 -0.112 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.653 3.121 0.124 1.00 0.00 H new ATOM 0 HD1 HIS A 112 8.972 4.737 -1.207 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.969 4.903 2.872 1.00 0.00 H new ATOM 0 HE1 HIS A 112 9.841 6.969 -0.315 1.00 0.00 H new ATOM 1713 N GLN A 113 7.792 -0.108 1.243 1.00 0.00 N ATOM 1714 CA GLN A 113 7.394 -1.480 0.979 1.00 0.00 C ATOM 1715 C GLN A 113 6.981 -2.173 2.279 1.00 0.00 C ATOM 1716 O GLN A 113 7.433 -1.795 3.358 1.00 0.00 O ATOM 1717 CB GLN A 113 8.516 -2.251 0.279 1.00 0.00 C ATOM 1718 CG GLN A 113 8.844 -1.629 -1.079 1.00 0.00 C ATOM 1719 CD GLN A 113 8.006 -2.265 -2.190 1.00 0.00 C ATOM 1720 OE1 GLN A 113 7.200 -3.153 -1.965 1.00 0.00 O ATOM 1721 NE2 GLN A 113 8.241 -1.763 -3.400 1.00 0.00 N ATOM 0 H GLN A 113 8.783 0.084 1.098 1.00 0.00 H new ATOM 0 HA GLN A 113 6.534 -1.466 0.309 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.407 -2.253 0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.218 -3.291 0.144 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.657 -0.556 -1.046 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.904 -1.761 -1.297 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.930 -1.020 -3.519 1.00 0.00 H new ATOM 0 HE22 GLN A 113 7.733 -2.121 -4.208 1.00 0.00 H new ATOM 1730 N LEU A 114 6.126 -3.175 2.132 1.00 0.00 N ATOM 1731 CA LEU A 114 5.647 -3.924 3.281 1.00 0.00 C ATOM 1732 C LEU A 114 6.546 -5.142 3.502 1.00 0.00 C ATOM 1733 O LEU A 114 6.830 -5.510 4.641 1.00 0.00 O ATOM 1734 CB LEU A 114 4.167 -4.274 3.113 1.00 0.00 C ATOM 1735 CG LEU A 114 3.215 -3.091 2.926 1.00 0.00 C ATOM 1736 CD1 LEU A 114 2.148 -3.407 1.876 1.00 0.00 C ATOM 1737 CD2 LEU A 114 2.598 -2.667 4.260 1.00 0.00 C ATOM 0 H LEU A 114 5.753 -3.485 1.235 1.00 0.00 H new ATOM 0 HA LEU A 114 5.707 -3.316 4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 114 4.066 -4.936 2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.846 -4.838 3.989 1.00 0.00 H new ATOM 0 HG LEU A 114 3.792 -2.244 2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.484 -2.550 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.629 -3.623 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.569 -4.274 2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.926 -1.824 4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 114 2.039 -3.501 4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.389 -2.373 4.950 1.00 0.00 H new ATOM 1749 N SER A 115 6.969 -5.733 2.395 1.00 0.00 N ATOM 1750 CA SER A 115 7.830 -6.902 2.453 1.00 0.00 C ATOM 1751 C SER A 115 8.637 -7.023 1.159 1.00 0.00 C ATOM 1752 O SER A 115 8.233 -6.503 0.120 1.00 0.00 O ATOM 1753 CB SER A 115 7.016 -8.175 2.691 1.00 0.00 C ATOM 1754 OG SER A 115 6.607 -8.783 1.469 1.00 0.00 O ATOM 0 H SER A 115 6.732 -5.424 1.452 1.00 0.00 H new ATOM 0 HA SER A 115 8.516 -6.779 3.291 1.00 0.00 H new ATOM 0 HB2 SER A 115 7.611 -8.884 3.267 1.00 0.00 H new ATOM 0 HB3 SER A 115 6.137 -7.937 3.289 1.00 0.00 H new ATOM 0 HG SER A 115 6.091 -9.593 1.663 1.00 0.00 H new ATOM 1760 N GLY A 116 9.764 -7.711 1.264 1.00 0.00 N ATOM 1761 CA GLY A 116 10.632 -7.907 0.114 1.00 0.00 C ATOM 1762 C GLY A 116 10.502 -9.329 -0.435 1.00 0.00 C ATOM 1763 O GLY A 116 9.570 -10.051 -0.085 1.00 0.00 O ATOM 0 H GLY A 116 10.097 -8.140 2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 116 10.378 -7.188 -0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.667 -7.716 0.398 1.00 0.00 H new ATOM 1767 N PRO A 117 11.477 -9.699 -1.308 1.00 0.00 N ATOM 1768 CA PRO A 117 11.481 -11.022 -1.909 1.00 0.00 C ATOM 1769 C PRO A 117 11.934 -12.080 -0.901 1.00 0.00 C ATOM 1770 O PRO A 117 12.902 -12.799 -1.144 1.00 0.00 O ATOM 1771 CB PRO A 117 12.409 -10.907 -3.107 1.00 0.00 C ATOM 1772 CG PRO A 117 13.249 -9.663 -2.866 1.00 0.00 C ATOM 1773 CD PRO A 117 12.597 -8.871 -1.745 1.00 0.00 C ATOM 0 HA PRO A 117 10.488 -11.346 -2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 117 13.039 -11.792 -3.199 1.00 0.00 H new ATOM 0 HB3 PRO A 117 11.842 -10.822 -4.034 1.00 0.00 H new ATOM 0 HG2 PRO A 117 14.269 -9.937 -2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 117 13.310 -9.062 -3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.297 -8.690 -0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 117 12.256 -7.897 -2.095 1.00 0.00 H new ATOM 1781 N SER A 118 11.213 -12.142 0.208 1.00 0.00 N ATOM 1782 CA SER A 118 11.528 -13.101 1.254 1.00 0.00 C ATOM 1783 C SER A 118 12.932 -12.834 1.802 1.00 0.00 C ATOM 1784 O SER A 118 13.801 -12.346 1.081 1.00 0.00 O ATOM 1785 CB SER A 118 11.425 -14.536 0.734 1.00 0.00 C ATOM 1786 OG SER A 118 11.958 -15.479 1.661 1.00 0.00 O ATOM 0 H SER A 118 10.411 -11.544 0.406 1.00 0.00 H new ATOM 0 HA SER A 118 10.802 -12.982 2.058 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.381 -14.775 0.534 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.958 -14.618 -0.213 1.00 0.00 H new ATOM 0 HG SER A 118 11.872 -16.383 1.293 1.00 0.00 H new ATOM 1792 N SER A 119 13.109 -13.166 3.072 1.00 0.00 N ATOM 1793 CA SER A 119 14.392 -12.969 3.725 1.00 0.00 C ATOM 1794 C SER A 119 14.883 -14.288 4.324 1.00 0.00 C ATOM 1795 O SER A 119 14.164 -14.933 5.086 1.00 0.00 O ATOM 1796 CB SER A 119 14.298 -11.895 4.811 1.00 0.00 C ATOM 1797 OG SER A 119 15.583 -11.436 5.220 1.00 0.00 O ATOM 0 H SER A 119 12.385 -13.570 3.666 1.00 0.00 H new ATOM 0 HA SER A 119 15.108 -12.629 2.977 1.00 0.00 H new ATOM 0 HB2 SER A 119 13.714 -11.053 4.439 1.00 0.00 H new ATOM 0 HB3 SER A 119 13.765 -12.297 5.673 1.00 0.00 H new ATOM 0 HG SER A 119 15.480 -10.750 5.913 1.00 0.00 H new ATOM 1803 N GLY A 120 16.103 -14.651 3.958 1.00 0.00 N ATOM 1804 CA GLY A 120 16.698 -15.881 4.450 1.00 0.00 C ATOM 1805 C GLY A 120 18.149 -15.655 4.880 1.00 0.00 C ATOM 1806 O GLY A 120 18.509 -15.919 6.026 1.00 0.00 O ATOM 0 H GLY A 120 16.696 -14.114 3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 120 16.119 -16.257 5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 120 16.660 -16.644 3.672 1.00 0.00 H new TER 1810 GLY A 120