USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 600 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 60 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Set 1.2: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 45 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 54 HIS : no HE2:sc= 0.952 K(o=0.95,f=-4.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0631 (180deg=-0.00974) USER MOD Single : A 5 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.16) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -130:sc= 1.22 (180deg=-0.126) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0445 USER MOD Single : A 13 LYS NZ :NH3+ -153:sc= -0.816 (180deg=-2.08!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= -0.0472 (180deg=-0.269) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0159 K(o=-0.016,f=-0.78) USER MOD Single : A 40 CYS SG : rot -80:sc= 0.671 USER MOD Single : A 41 THR OG1 : rot -70:sc= -0.0163 USER MOD Single : A 49 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.054) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= -0.0254 (180deg=-0.172) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00542 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0265 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.222 0.382 -16.494 1.00 0.00 N ATOM 2 CA MET A 1 15.218 -0.037 -17.912 1.00 0.00 C ATOM 3 C MET A 1 15.470 -1.533 -18.024 1.00 0.00 C ATOM 4 O MET A 1 15.995 -2.156 -17.098 1.00 0.00 O ATOM 5 CB MET A 1 16.294 0.717 -18.697 1.00 0.00 C ATOM 6 CG MET A 1 15.993 2.191 -18.898 1.00 0.00 C ATOM 7 SD MET A 1 17.268 3.023 -19.865 1.00 0.00 S ATOM 8 CE MET A 1 16.590 4.676 -19.957 1.00 0.00 C ATOM 0 H1 MET A 1 14.271 0.705 -16.225 1.00 0.00 H new ATOM 0 H2 MET A 1 15.497 -0.422 -15.895 1.00 0.00 H new ATOM 0 H3 MET A 1 15.901 1.159 -16.364 1.00 0.00 H new ATOM 0 HA MET A 1 14.239 0.196 -18.331 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.246 0.619 -18.175 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.415 0.245 -19.672 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.031 2.298 -19.400 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.902 2.677 -17.927 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.265 5.315 -20.526 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.618 4.644 -20.450 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.473 5.078 -18.951 1.00 0.00 H new ATOM 20 N VAL A 2 15.089 -2.106 -19.156 1.00 0.00 N ATOM 21 CA VAL A 2 15.325 -3.517 -19.415 1.00 0.00 C ATOM 22 C VAL A 2 16.715 -3.717 -20.003 1.00 0.00 C ATOM 23 O VAL A 2 17.250 -2.830 -20.668 1.00 0.00 O ATOM 24 CB VAL A 2 14.270 -4.112 -20.377 1.00 0.00 C ATOM 25 CG1 VAL A 2 12.883 -4.036 -19.759 1.00 0.00 C ATOM 26 CG2 VAL A 2 14.295 -3.406 -21.725 1.00 0.00 C ATOM 0 H VAL A 2 14.614 -1.613 -19.912 1.00 0.00 H new ATOM 0 HA VAL A 2 15.246 -4.039 -18.461 1.00 0.00 H new ATOM 0 HB VAL A 2 14.519 -5.160 -20.543 1.00 0.00 H new ATOM 0 HG11 VAL A 2 12.153 -4.459 -20.450 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.869 -4.600 -18.826 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.631 -2.995 -19.558 1.00 0.00 H new ATOM 0 HG21 VAL A 2 13.543 -3.846 -22.380 1.00 0.00 H new ATOM 0 HG22 VAL A 2 14.080 -2.347 -21.585 1.00 0.00 H new ATOM 0 HG23 VAL A 2 15.280 -3.519 -22.177 1.00 0.00 H new ATOM 36 N LEU A 3 17.309 -4.867 -19.728 1.00 0.00 N ATOM 37 CA LEU A 3 18.615 -5.203 -20.281 1.00 0.00 C ATOM 38 C LEU A 3 18.490 -5.529 -21.767 1.00 0.00 C ATOM 39 O LEU A 3 17.390 -5.481 -22.327 1.00 0.00 O ATOM 40 CB LEU A 3 19.259 -6.377 -19.524 1.00 0.00 C ATOM 41 CG LEU A 3 18.621 -7.758 -19.731 1.00 0.00 C ATOM 42 CD1 LEU A 3 19.532 -8.841 -19.181 1.00 0.00 C ATOM 43 CD2 LEU A 3 17.255 -7.844 -19.065 1.00 0.00 C ATOM 0 H LEU A 3 16.909 -5.585 -19.125 1.00 0.00 H new ATOM 0 HA LEU A 3 19.265 -4.336 -20.163 1.00 0.00 H new ATOM 0 HB2 LEU A 3 20.307 -6.438 -19.817 1.00 0.00 H new ATOM 0 HB3 LEU A 3 19.239 -6.148 -18.459 1.00 0.00 H new ATOM 0 HG LEU A 3 18.486 -7.907 -20.802 1.00 0.00 H new ATOM 0 HD11 LEU A 3 19.070 -9.817 -19.333 1.00 0.00 H new ATOM 0 HD12 LEU A 3 20.490 -8.808 -19.700 1.00 0.00 H new ATOM 0 HD13 LEU A 3 19.690 -8.677 -18.115 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.831 -8.834 -19.231 1.00 0.00 H new ATOM 0 HD22 LEU A 3 17.361 -7.669 -17.994 1.00 0.00 H new ATOM 0 HD23 LEU A 3 16.594 -7.090 -19.492 1.00 0.00 H new ATOM 55 N ARG A 4 19.619 -5.860 -22.392 1.00 0.00 N ATOM 56 CA ARG A 4 19.686 -6.108 -23.833 1.00 0.00 C ATOM 57 C ARG A 4 19.477 -4.796 -24.598 1.00 0.00 C ATOM 58 O ARG A 4 19.220 -4.782 -25.800 1.00 0.00 O ATOM 59 CB ARG A 4 18.660 -7.173 -24.257 1.00 0.00 C ATOM 60 CG ARG A 4 18.764 -7.590 -25.715 1.00 0.00 C ATOM 61 CD ARG A 4 17.606 -8.481 -26.126 1.00 0.00 C ATOM 62 NE ARG A 4 17.589 -8.717 -27.567 1.00 0.00 N ATOM 63 CZ ARG A 4 16.513 -9.111 -28.244 1.00 0.00 C ATOM 64 NH1 ARG A 4 15.380 -9.382 -27.605 1.00 0.00 N ATOM 65 NH2 ARG A 4 16.580 -9.254 -29.559 1.00 0.00 N ATOM 0 H ARG A 4 20.514 -5.964 -21.914 1.00 0.00 H new ATOM 0 HA ARG A 4 20.675 -6.496 -24.077 1.00 0.00 H new ATOM 0 HB2 ARG A 4 18.787 -8.054 -23.628 1.00 0.00 H new ATOM 0 HB3 ARG A 4 17.657 -6.790 -24.071 1.00 0.00 H new ATOM 0 HG2 ARG A 4 18.783 -6.702 -26.347 1.00 0.00 H new ATOM 0 HG3 ARG A 4 19.704 -8.117 -25.877 1.00 0.00 H new ATOM 0 HD2 ARG A 4 17.677 -9.434 -25.602 1.00 0.00 H new ATOM 0 HD3 ARG A 4 16.666 -8.020 -25.822 1.00 0.00 H new ATOM 0 HE ARG A 4 18.455 -8.571 -28.086 1.00 0.00 H new ATOM 0 HH11 ARG A 4 15.332 -9.288 -26.590 1.00 0.00 H new ATOM 0 HH12 ARG A 4 14.558 -9.684 -28.129 1.00 0.00 H new ATOM 0 HH21 ARG A 4 17.454 -9.062 -30.049 1.00 0.00 H new ATOM 0 HH22 ARG A 4 15.758 -9.556 -30.082 1.00 0.00 H new ATOM 79 N GLN A 5 19.624 -3.682 -23.894 1.00 0.00 N ATOM 80 CA GLN A 5 19.435 -2.375 -24.501 1.00 0.00 C ATOM 81 C GLN A 5 20.734 -1.879 -25.121 1.00 0.00 C ATOM 82 O GLN A 5 20.762 -0.852 -25.794 1.00 0.00 O ATOM 83 CB GLN A 5 18.910 -1.365 -23.480 1.00 0.00 C ATOM 84 CG GLN A 5 19.827 -1.152 -22.289 1.00 0.00 C ATOM 85 CD GLN A 5 19.401 0.026 -21.436 1.00 0.00 C ATOM 86 OE1 GLN A 5 20.230 0.679 -20.802 1.00 0.00 O ATOM 87 NE2 GLN A 5 18.109 0.313 -21.417 1.00 0.00 N ATOM 0 H GLN A 5 19.873 -3.659 -22.905 1.00 0.00 H new ATOM 0 HA GLN A 5 18.690 -2.476 -25.290 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.753 -0.409 -23.979 1.00 0.00 H new ATOM 0 HB3 GLN A 5 17.937 -1.701 -23.120 1.00 0.00 H new ATOM 0 HG2 GLN A 5 19.840 -2.054 -21.678 1.00 0.00 H new ATOM 0 HG3 GLN A 5 20.846 -0.992 -22.642 1.00 0.00 H new ATOM 0 HE21 GLN A 5 17.453 -0.252 -21.956 1.00 0.00 H new ATOM 0 HE22 GLN A 5 17.769 1.099 -20.863 1.00 0.00 H new ATOM 96 N LEU A 6 21.811 -2.615 -24.890 1.00 0.00 N ATOM 97 CA LEU A 6 23.092 -2.293 -25.502 1.00 0.00 C ATOM 98 C LEU A 6 23.208 -2.954 -26.873 1.00 0.00 C ATOM 99 O LEU A 6 24.215 -2.808 -27.563 1.00 0.00 O ATOM 100 CB LEU A 6 24.256 -2.708 -24.584 1.00 0.00 C ATOM 101 CG LEU A 6 24.256 -4.163 -24.086 1.00 0.00 C ATOM 102 CD1 LEU A 6 24.714 -5.125 -25.171 1.00 0.00 C ATOM 103 CD2 LEU A 6 25.135 -4.297 -22.853 1.00 0.00 C ATOM 0 H LEU A 6 21.824 -3.436 -24.285 1.00 0.00 H new ATOM 0 HA LEU A 6 23.148 -1.213 -25.641 1.00 0.00 H new ATOM 0 HB2 LEU A 6 25.190 -2.531 -25.117 1.00 0.00 H new ATOM 0 HB3 LEU A 6 24.255 -2.050 -23.715 1.00 0.00 H new ATOM 0 HG LEU A 6 23.231 -4.426 -23.822 1.00 0.00 H new ATOM 0 HD11 LEU A 6 24.701 -6.144 -24.783 1.00 0.00 H new ATOM 0 HD12 LEU A 6 24.043 -5.054 -26.027 1.00 0.00 H new ATOM 0 HD13 LEU A 6 25.727 -4.868 -25.482 1.00 0.00 H new ATOM 0 HD21 LEU A 6 25.126 -5.332 -22.511 1.00 0.00 H new ATOM 0 HD22 LEU A 6 26.156 -4.005 -23.100 1.00 0.00 H new ATOM 0 HD23 LEU A 6 24.754 -3.650 -22.063 1.00 0.00 H new ATOM 115 N SER A 7 22.172 -3.684 -27.257 1.00 0.00 N ATOM 116 CA SER A 7 22.142 -4.347 -28.550 1.00 0.00 C ATOM 117 C SER A 7 21.599 -3.405 -29.622 1.00 0.00 C ATOM 118 O SER A 7 22.028 -3.440 -30.775 1.00 0.00 O ATOM 119 CB SER A 7 21.277 -5.606 -28.464 1.00 0.00 C ATOM 120 OG SER A 7 21.685 -6.422 -27.378 1.00 0.00 O ATOM 0 H SER A 7 21.338 -3.832 -26.688 1.00 0.00 H new ATOM 0 HA SER A 7 23.158 -4.629 -28.825 1.00 0.00 H new ATOM 0 HB2 SER A 7 20.231 -5.326 -28.342 1.00 0.00 H new ATOM 0 HB3 SER A 7 21.350 -6.168 -29.395 1.00 0.00 H new ATOM 0 HG SER A 7 21.119 -7.221 -27.339 1.00 0.00 H new ATOM 126 N ARG A 8 20.677 -2.536 -29.222 1.00 0.00 N ATOM 127 CA ARG A 8 20.022 -1.620 -30.152 1.00 0.00 C ATOM 128 C ARG A 8 20.954 -0.499 -30.586 1.00 0.00 C ATOM 129 O ARG A 8 20.666 0.216 -31.538 1.00 0.00 O ATOM 130 CB ARG A 8 18.782 -1.009 -29.508 1.00 0.00 C ATOM 131 CG ARG A 8 19.094 -0.191 -28.270 1.00 0.00 C ATOM 132 CD ARG A 8 17.842 0.377 -27.632 1.00 0.00 C ATOM 133 NE ARG A 8 18.151 1.093 -26.398 1.00 0.00 N ATOM 134 CZ ARG A 8 17.234 1.530 -25.539 1.00 0.00 C ATOM 135 NH1 ARG A 8 15.942 1.351 -25.789 1.00 0.00 N ATOM 136 NH2 ARG A 8 17.613 2.139 -24.423 1.00 0.00 N ATOM 0 H ARG A 8 20.364 -2.446 -28.255 1.00 0.00 H new ATOM 0 HA ARG A 8 19.740 -2.200 -31.031 1.00 0.00 H new ATOM 0 HB2 ARG A 8 18.277 -0.375 -30.237 1.00 0.00 H new ATOM 0 HB3 ARG A 8 18.087 -1.806 -29.243 1.00 0.00 H new ATOM 0 HG2 ARG A 8 19.618 -0.815 -27.546 1.00 0.00 H new ATOM 0 HG3 ARG A 8 19.767 0.624 -28.535 1.00 0.00 H new ATOM 0 HD2 ARG A 8 17.349 1.051 -28.332 1.00 0.00 H new ATOM 0 HD3 ARG A 8 17.141 -0.431 -27.420 1.00 0.00 H new ATOM 0 HE ARG A 8 19.132 1.269 -26.181 1.00 0.00 H new ATOM 0 HH11 ARG A 8 15.649 0.876 -26.643 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.243 1.688 -25.127 1.00 0.00 H new ATOM 0 HH21 ARG A 8 18.605 2.271 -24.226 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.912 2.475 -23.762 1.00 0.00 H new ATOM 150 N LYS A 9 22.072 -0.356 -29.885 1.00 0.00 N ATOM 151 CA LYS A 9 23.022 0.721 -30.160 1.00 0.00 C ATOM 152 C LYS A 9 23.564 0.627 -31.586 1.00 0.00 C ATOM 153 O LYS A 9 24.031 1.617 -32.148 1.00 0.00 O ATOM 154 CB LYS A 9 24.177 0.703 -29.151 1.00 0.00 C ATOM 155 CG LYS A 9 25.157 -0.445 -29.341 1.00 0.00 C ATOM 156 CD LYS A 9 26.257 -0.409 -28.289 1.00 0.00 C ATOM 157 CE LYS A 9 27.350 -1.431 -28.567 1.00 0.00 C ATOM 158 NZ LYS A 9 26.838 -2.828 -28.558 1.00 0.00 N ATOM 0 H LYS A 9 22.346 -0.972 -29.120 1.00 0.00 H new ATOM 0 HA LYS A 9 22.488 1.666 -30.058 1.00 0.00 H new ATOM 0 HB2 LYS A 9 24.721 1.645 -29.222 1.00 0.00 H new ATOM 0 HB3 LYS A 9 23.763 0.649 -28.144 1.00 0.00 H new ATOM 0 HG2 LYS A 9 24.625 -1.394 -29.282 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.599 -0.388 -30.336 1.00 0.00 H new ATOM 0 HD2 LYS A 9 26.694 0.589 -28.257 1.00 0.00 H new ATOM 0 HD3 LYS A 9 25.825 -0.600 -27.307 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.803 -1.220 -29.536 1.00 0.00 H new ATOM 0 HE3 LYS A 9 28.136 -1.330 -27.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 27.441 -3.415 -27.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 25.863 -2.838 -28.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 26.852 -3.209 -29.526 1.00 0.00 H new ATOM 172 N ALA A 10 23.478 -0.559 -32.172 1.00 0.00 N ATOM 173 CA ALA A 10 23.950 -0.777 -33.531 1.00 0.00 C ATOM 174 C ALA A 10 22.907 -0.341 -34.556 1.00 0.00 C ATOM 175 O ALA A 10 23.151 -0.385 -35.760 1.00 0.00 O ATOM 176 CB ALA A 10 24.303 -2.242 -33.734 1.00 0.00 C ATOM 0 H ALA A 10 23.084 -1.387 -31.725 1.00 0.00 H new ATOM 0 HA ALA A 10 24.843 -0.169 -33.679 1.00 0.00 H new ATOM 0 HB1 ALA A 10 24.655 -2.393 -34.754 1.00 0.00 H new ATOM 0 HB2 ALA A 10 25.088 -2.528 -33.033 1.00 0.00 H new ATOM 0 HB3 ALA A 10 23.420 -2.857 -33.560 1.00 0.00 H new ATOM 182 N SER A 11 21.738 0.063 -34.076 1.00 0.00 N ATOM 183 CA SER A 11 20.660 0.494 -34.950 1.00 0.00 C ATOM 184 C SER A 11 19.837 1.600 -34.285 1.00 0.00 C ATOM 185 O SER A 11 18.634 1.722 -34.516 1.00 0.00 O ATOM 186 CB SER A 11 19.763 -0.697 -35.294 1.00 0.00 C ATOM 187 OG SER A 11 20.533 -1.789 -35.776 1.00 0.00 O ATOM 0 H SER A 11 21.514 0.100 -33.082 1.00 0.00 H new ATOM 0 HA SER A 11 21.092 0.893 -35.868 1.00 0.00 H new ATOM 0 HB2 SER A 11 19.204 -1.003 -34.410 1.00 0.00 H new ATOM 0 HB3 SER A 11 19.032 -0.402 -36.047 1.00 0.00 H new ATOM 0 HG SER A 11 19.939 -2.539 -35.988 1.00 0.00 H new ATOM 193 N VAL A 12 20.498 2.405 -33.461 1.00 0.00 N ATOM 194 CA VAL A 12 19.820 3.473 -32.734 1.00 0.00 C ATOM 195 C VAL A 12 20.069 4.818 -33.413 1.00 0.00 C ATOM 196 O VAL A 12 19.325 5.779 -33.220 1.00 0.00 O ATOM 197 CB VAL A 12 20.278 3.530 -31.259 1.00 0.00 C ATOM 198 CG1 VAL A 12 21.708 4.030 -31.146 1.00 0.00 C ATOM 199 CG2 VAL A 12 19.336 4.389 -30.426 1.00 0.00 C ATOM 0 H VAL A 12 21.500 2.339 -33.280 1.00 0.00 H new ATOM 0 HA VAL A 12 18.751 3.258 -32.747 1.00 0.00 H new ATOM 0 HB VAL A 12 20.247 2.515 -30.864 1.00 0.00 H new ATOM 0 HG11 VAL A 12 22.001 4.059 -30.097 1.00 0.00 H new ATOM 0 HG12 VAL A 12 22.372 3.359 -31.690 1.00 0.00 H new ATOM 0 HG13 VAL A 12 21.778 5.032 -31.570 1.00 0.00 H new ATOM 0 HG21 VAL A 12 19.682 4.412 -29.393 1.00 0.00 H new ATOM 0 HG22 VAL A 12 19.319 5.403 -30.825 1.00 0.00 H new ATOM 0 HG23 VAL A 12 18.331 3.968 -30.463 1.00 0.00 H new ATOM 209 N LYS A 13 21.129 4.876 -34.204 1.00 0.00 N ATOM 210 CA LYS A 13 21.450 6.064 -34.979 1.00 0.00 C ATOM 211 C LYS A 13 21.200 5.798 -36.461 1.00 0.00 C ATOM 212 O LYS A 13 21.010 6.726 -37.247 1.00 0.00 O ATOM 213 CB LYS A 13 22.910 6.475 -34.740 1.00 0.00 C ATOM 214 CG LYS A 13 23.378 7.666 -35.574 1.00 0.00 C ATOM 215 CD LYS A 13 22.639 8.956 -35.230 1.00 0.00 C ATOM 216 CE LYS A 13 23.262 9.687 -34.044 1.00 0.00 C ATOM 217 NZ LYS A 13 23.103 8.952 -32.761 1.00 0.00 N ATOM 0 H LYS A 13 21.787 4.106 -34.326 1.00 0.00 H new ATOM 0 HA LYS A 13 20.808 6.884 -34.659 1.00 0.00 H new ATOM 0 HB2 LYS A 13 23.039 6.714 -33.684 1.00 0.00 H new ATOM 0 HB3 LYS A 13 23.554 5.622 -34.954 1.00 0.00 H new ATOM 0 HG2 LYS A 13 24.447 7.813 -35.421 1.00 0.00 H new ATOM 0 HG3 LYS A 13 23.235 7.442 -36.631 1.00 0.00 H new ATOM 0 HD2 LYS A 13 22.639 9.614 -36.099 1.00 0.00 H new ATOM 0 HD3 LYS A 13 21.598 8.726 -35.005 1.00 0.00 H new ATOM 0 HE2 LYS A 13 24.323 9.844 -34.238 1.00 0.00 H new ATOM 0 HE3 LYS A 13 22.806 10.673 -33.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 23.107 9.628 -31.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 22.202 8.433 -32.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 23.889 8.280 -32.646 1.00 0.00 H new ATOM 231 N VAL A 14 21.186 4.521 -36.827 1.00 0.00 N ATOM 232 CA VAL A 14 20.930 4.110 -38.205 1.00 0.00 C ATOM 233 C VAL A 14 19.564 4.606 -38.671 1.00 0.00 C ATOM 234 O VAL A 14 18.532 4.176 -38.153 1.00 0.00 O ATOM 235 CB VAL A 14 20.992 2.573 -38.354 1.00 0.00 C ATOM 236 CG1 VAL A 14 20.670 2.151 -39.780 1.00 0.00 C ATOM 237 CG2 VAL A 14 22.359 2.052 -37.940 1.00 0.00 C ATOM 0 H VAL A 14 21.350 3.746 -36.184 1.00 0.00 H new ATOM 0 HA VAL A 14 21.708 4.554 -38.825 1.00 0.00 H new ATOM 0 HB VAL A 14 20.241 2.138 -37.694 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.720 1.065 -39.858 1.00 0.00 H new ATOM 0 HG12 VAL A 14 19.667 2.487 -40.041 1.00 0.00 H new ATOM 0 HG13 VAL A 14 21.392 2.598 -40.464 1.00 0.00 H new ATOM 0 HG21 VAL A 14 22.384 0.968 -38.051 1.00 0.00 H new ATOM 0 HG22 VAL A 14 23.126 2.500 -38.572 1.00 0.00 H new ATOM 0 HG23 VAL A 14 22.548 2.314 -36.899 1.00 0.00 H new ATOM 247 N SER A 15 19.578 5.527 -39.638 1.00 0.00 N ATOM 248 CA SER A 15 18.358 6.125 -40.172 1.00 0.00 C ATOM 249 C SER A 15 17.527 6.752 -39.055 1.00 0.00 C ATOM 250 O SER A 15 16.299 6.688 -39.061 1.00 0.00 O ATOM 251 CB SER A 15 17.545 5.072 -40.928 1.00 0.00 C ATOM 252 OG SER A 15 18.317 4.506 -41.975 1.00 0.00 O ATOM 0 H SER A 15 20.434 5.876 -40.070 1.00 0.00 H new ATOM 0 HA SER A 15 18.635 6.917 -40.868 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.224 4.289 -40.241 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.643 5.526 -41.338 1.00 0.00 H new ATOM 0 HG SER A 15 17.784 3.833 -42.448 1.00 0.00 H new ATOM 258 N LYS A 16 18.209 7.362 -38.096 1.00 0.00 N ATOM 259 CA LYS A 16 17.543 7.947 -36.949 1.00 0.00 C ATOM 260 C LYS A 16 18.097 9.339 -36.654 1.00 0.00 C ATOM 261 O LYS A 16 18.818 9.550 -35.676 1.00 0.00 O ATOM 262 CB LYS A 16 17.696 7.028 -35.734 1.00 0.00 C ATOM 263 CG LYS A 16 16.995 7.530 -34.481 1.00 0.00 C ATOM 264 CD LYS A 16 15.486 7.573 -34.645 1.00 0.00 C ATOM 265 CE LYS A 16 14.815 8.133 -33.401 1.00 0.00 C ATOM 266 NZ LYS A 16 15.192 7.373 -32.179 1.00 0.00 N ATOM 0 H LYS A 16 19.224 7.463 -38.093 1.00 0.00 H new ATOM 0 HA LYS A 16 16.482 8.053 -37.174 1.00 0.00 H new ATOM 0 HB2 LYS A 16 17.304 6.043 -35.986 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.757 6.903 -35.518 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.249 6.883 -33.641 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.361 8.527 -34.237 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.228 8.187 -35.508 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.110 6.569 -34.844 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.093 9.180 -33.278 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.733 8.104 -33.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.557 7.635 -31.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.109 6.353 -32.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.173 7.599 -31.919 1.00 0.00 H new ATOM 280 N THR A 17 17.786 10.276 -37.529 1.00 0.00 N ATOM 281 CA THR A 17 18.093 11.673 -37.291 1.00 0.00 C ATOM 282 C THR A 17 17.024 12.554 -37.934 1.00 0.00 C ATOM 283 O THR A 17 16.546 13.514 -37.331 1.00 0.00 O ATOM 284 CB THR A 17 19.514 12.054 -37.788 1.00 0.00 C ATOM 285 OG1 THR A 17 19.784 13.436 -37.532 1.00 0.00 O ATOM 286 CG2 THR A 17 19.692 11.772 -39.274 1.00 0.00 C ATOM 0 H THR A 17 17.318 10.093 -38.417 1.00 0.00 H new ATOM 0 HA THR A 17 18.089 11.841 -36.214 1.00 0.00 H new ATOM 0 HB THR A 17 20.220 11.434 -37.236 1.00 0.00 H new ATOM 0 HG1 THR A 17 20.684 13.658 -37.850 1.00 0.00 H new ATOM 0 HG21 THR A 17 20.700 12.053 -39.580 1.00 0.00 H new ATOM 0 HG22 THR A 17 19.538 10.710 -39.464 1.00 0.00 H new ATOM 0 HG23 THR A 17 18.965 12.351 -39.844 1.00 0.00 H new ATOM 294 N TRP A 18 16.622 12.190 -39.145 1.00 0.00 N ATOM 295 CA TRP A 18 15.550 12.883 -39.849 1.00 0.00 C ATOM 296 C TRP A 18 14.570 11.871 -40.438 1.00 0.00 C ATOM 297 O TRP A 18 13.776 12.191 -41.321 1.00 0.00 O ATOM 298 CB TRP A 18 16.115 13.772 -40.962 1.00 0.00 C ATOM 299 CG TRP A 18 17.054 14.830 -40.465 1.00 0.00 C ATOM 300 CD1 TRP A 18 18.383 14.944 -40.752 1.00 0.00 C ATOM 301 CD2 TRP A 18 16.737 15.917 -39.586 1.00 0.00 C ATOM 302 NE1 TRP A 18 18.910 16.039 -40.114 1.00 0.00 N ATOM 303 CE2 TRP A 18 17.921 16.651 -39.389 1.00 0.00 C ATOM 304 CE3 TRP A 18 15.568 16.341 -38.948 1.00 0.00 C ATOM 305 CZ2 TRP A 18 17.968 17.783 -38.583 1.00 0.00 C ATOM 306 CZ3 TRP A 18 15.617 17.465 -38.148 1.00 0.00 C ATOM 307 CH2 TRP A 18 16.810 18.176 -37.972 1.00 0.00 C ATOM 0 H TRP A 18 17.027 11.411 -39.664 1.00 0.00 H new ATOM 0 HA TRP A 18 15.025 13.517 -39.134 1.00 0.00 H new ATOM 0 HB2 TRP A 18 16.636 13.146 -41.686 1.00 0.00 H new ATOM 0 HB3 TRP A 18 15.289 14.249 -41.489 1.00 0.00 H new ATOM 0 HD1 TRP A 18 18.939 14.271 -41.388 1.00 0.00 H new ATOM 0 HE1 TRP A 18 19.881 16.347 -40.170 1.00 0.00 H new ATOM 0 HE3 TRP A 18 14.643 15.799 -39.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 18.887 18.333 -38.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 14.720 17.801 -37.650 1.00 0.00 H new ATOM 0 HH2 TRP A 18 16.816 19.052 -37.341 1.00 0.00 H new ATOM 318 N SER A 19 14.633 10.649 -39.930 1.00 0.00 N ATOM 319 CA SER A 19 13.780 9.576 -40.395 1.00 0.00 C ATOM 320 C SER A 19 13.049 8.967 -39.210 1.00 0.00 C ATOM 321 O SER A 19 13.665 8.632 -38.196 1.00 0.00 O ATOM 322 CB SER A 19 14.611 8.509 -41.117 1.00 0.00 C ATOM 323 OG SER A 19 13.788 7.515 -41.709 1.00 0.00 O ATOM 0 H SER A 19 15.276 10.378 -39.186 1.00 0.00 H new ATOM 0 HA SER A 19 13.051 9.974 -41.101 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.221 8.982 -41.886 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.296 8.041 -40.410 1.00 0.00 H new ATOM 0 HG SER A 19 14.350 6.852 -42.162 1.00 0.00 H new ATOM 329 N GLY A 20 11.738 8.866 -39.333 1.00 0.00 N ATOM 330 CA GLY A 20 10.922 8.317 -38.268 1.00 0.00 C ATOM 331 C GLY A 20 10.894 9.217 -37.052 1.00 0.00 C ATOM 332 O GLY A 20 10.880 8.748 -35.912 1.00 0.00 O ATOM 0 H GLY A 20 11.217 9.157 -40.160 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.905 8.167 -38.631 1.00 0.00 H new ATOM 0 HA3 GLY A 20 11.307 7.337 -37.985 1.00 0.00 H new ATOM 336 N THR A 21 10.895 10.516 -37.300 1.00 0.00 N ATOM 337 CA THR A 21 10.815 11.495 -36.233 1.00 0.00 C ATOM 338 C THR A 21 10.026 12.719 -36.687 1.00 0.00 C ATOM 339 O THR A 21 9.194 13.237 -35.948 1.00 0.00 O ATOM 340 CB THR A 21 12.219 11.917 -35.731 1.00 0.00 C ATOM 341 OG1 THR A 21 12.104 12.959 -34.752 1.00 0.00 O ATOM 342 CG2 THR A 21 13.109 12.387 -36.876 1.00 0.00 C ATOM 0 H THR A 21 10.951 10.917 -38.236 1.00 0.00 H new ATOM 0 HA THR A 21 10.293 11.025 -35.399 1.00 0.00 H new ATOM 0 HB THR A 21 12.682 11.040 -35.279 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.997 13.216 -34.441 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.085 12.674 -36.484 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.231 11.579 -37.597 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.648 13.244 -37.367 1.00 0.00 H new ATOM 350 N LYS A 22 10.259 13.150 -37.922 1.00 0.00 N ATOM 351 CA LYS A 22 9.587 14.324 -38.457 1.00 0.00 C ATOM 352 C LYS A 22 8.113 14.026 -38.706 1.00 0.00 C ATOM 353 O LYS A 22 7.233 14.771 -38.272 1.00 0.00 O ATOM 354 CB LYS A 22 10.258 14.778 -39.757 1.00 0.00 C ATOM 355 CG LYS A 22 11.734 15.118 -39.598 1.00 0.00 C ATOM 356 CD LYS A 22 12.360 15.548 -40.917 1.00 0.00 C ATOM 357 CE LYS A 22 11.715 16.813 -41.465 1.00 0.00 C ATOM 358 NZ LYS A 22 12.310 17.223 -42.764 1.00 0.00 N ATOM 0 H LYS A 22 10.908 12.703 -38.569 1.00 0.00 H new ATOM 0 HA LYS A 22 9.663 15.127 -37.724 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.154 13.990 -40.503 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.732 15.652 -40.141 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.846 15.917 -38.865 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.267 14.251 -39.208 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.427 15.717 -40.774 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.259 14.744 -41.646 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.645 16.649 -41.592 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.830 17.621 -40.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.843 18.088 -43.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.326 17.405 -42.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.178 16.463 -43.462 1.00 0.00 H new ATOM 372 N LYS A 23 7.849 12.918 -39.383 1.00 0.00 N ATOM 373 CA LYS A 23 6.484 12.533 -39.704 1.00 0.00 C ATOM 374 C LYS A 23 5.850 11.817 -38.522 1.00 0.00 C ATOM 375 O LYS A 23 4.638 11.866 -38.318 1.00 0.00 O ATOM 376 CB LYS A 23 6.465 11.631 -40.936 1.00 0.00 C ATOM 377 CG LYS A 23 7.059 12.284 -42.173 1.00 0.00 C ATOM 378 CD LYS A 23 7.102 11.316 -43.341 1.00 0.00 C ATOM 379 CE LYS A 23 7.734 11.951 -44.567 1.00 0.00 C ATOM 380 NZ LYS A 23 7.841 10.993 -45.697 1.00 0.00 N ATOM 0 H LYS A 23 8.562 12.271 -39.720 1.00 0.00 H new ATOM 0 HA LYS A 23 5.909 13.433 -39.920 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.017 10.717 -40.716 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.436 11.339 -41.147 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.468 13.159 -42.444 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.067 12.636 -41.953 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.667 10.428 -43.058 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.091 10.988 -43.580 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.141 12.812 -44.876 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.726 12.323 -44.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.278 11.467 -46.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.428 10.184 -45.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.892 10.657 -45.958 1.00 0.00 H new ATOM 394 N ARG A 24 6.690 11.174 -37.728 1.00 0.00 N ATOM 395 CA ARG A 24 6.239 10.424 -36.569 1.00 0.00 C ATOM 396 C ARG A 24 5.726 11.363 -35.476 1.00 0.00 C ATOM 397 O ARG A 24 4.886 10.983 -34.662 1.00 0.00 O ATOM 398 CB ARG A 24 7.393 9.570 -36.048 1.00 0.00 C ATOM 399 CG ARG A 24 7.049 8.713 -34.846 1.00 0.00 C ATOM 400 CD ARG A 24 8.252 7.902 -34.413 1.00 0.00 C ATOM 401 NE ARG A 24 8.009 7.152 -33.186 1.00 0.00 N ATOM 402 CZ ARG A 24 8.801 6.177 -32.747 1.00 0.00 C ATOM 403 NH1 ARG A 24 9.867 5.818 -33.452 1.00 0.00 N ATOM 404 NH2 ARG A 24 8.522 5.553 -31.610 1.00 0.00 N ATOM 0 H ARG A 24 7.700 11.157 -37.868 1.00 0.00 H new ATOM 0 HA ARG A 24 5.412 9.777 -36.861 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.741 8.922 -36.853 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.223 10.225 -35.785 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.714 9.346 -34.024 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.222 8.046 -35.092 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.525 7.210 -35.210 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.101 8.569 -34.265 1.00 0.00 H new ATOM 0 HE ARG A 24 7.185 7.388 -32.633 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.080 6.290 -34.331 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.473 5.071 -33.115 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.699 5.820 -31.070 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.131 4.806 -31.276 1.00 0.00 H new ATOM 418 N ALA A 25 6.223 12.595 -35.467 1.00 0.00 N ATOM 419 CA ALA A 25 5.825 13.566 -34.453 1.00 0.00 C ATOM 420 C ALA A 25 4.584 14.343 -34.873 1.00 0.00 C ATOM 421 O ALA A 25 3.983 15.049 -34.064 1.00 0.00 O ATOM 422 CB ALA A 25 6.968 14.520 -34.150 1.00 0.00 C ATOM 0 H ALA A 25 6.899 12.944 -36.146 1.00 0.00 H new ATOM 0 HA ALA A 25 5.578 13.011 -33.548 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.652 15.237 -33.392 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.825 13.956 -33.782 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.248 15.053 -35.059 1.00 0.00 H new ATOM 428 N GLN A 26 4.205 14.222 -36.137 1.00 0.00 N ATOM 429 CA GLN A 26 2.978 14.845 -36.615 1.00 0.00 C ATOM 430 C GLN A 26 1.882 13.792 -36.749 1.00 0.00 C ATOM 431 O GLN A 26 0.739 14.100 -37.081 1.00 0.00 O ATOM 432 CB GLN A 26 3.211 15.574 -37.947 1.00 0.00 C ATOM 433 CG GLN A 26 3.663 14.675 -39.083 1.00 0.00 C ATOM 434 CD GLN A 26 3.969 15.445 -40.356 1.00 0.00 C ATOM 435 OE1 GLN A 26 4.363 16.613 -40.314 1.00 0.00 O ATOM 436 NE2 GLN A 26 3.802 14.798 -41.497 1.00 0.00 N ATOM 0 H GLN A 26 4.724 13.703 -36.845 1.00 0.00 H new ATOM 0 HA GLN A 26 2.658 15.591 -35.888 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.288 16.073 -38.240 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.960 16.352 -37.795 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.552 14.125 -38.774 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.887 13.937 -39.287 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.474 13.832 -41.492 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.001 15.265 -42.382 1.00 0.00 H new ATOM 445 N ARG A 27 2.247 12.543 -36.476 1.00 0.00 N ATOM 446 CA ARG A 27 1.307 11.431 -36.521 1.00 0.00 C ATOM 447 C ARG A 27 1.523 10.505 -35.330 1.00 0.00 C ATOM 448 O ARG A 27 1.468 9.281 -35.466 1.00 0.00 O ATOM 449 CB ARG A 27 1.460 10.641 -37.825 1.00 0.00 C ATOM 450 CG ARG A 27 1.049 11.420 -39.059 1.00 0.00 C ATOM 451 CD ARG A 27 1.157 10.573 -40.314 1.00 0.00 C ATOM 452 NE ARG A 27 0.718 11.302 -41.501 1.00 0.00 N ATOM 453 CZ ARG A 27 0.484 10.734 -42.681 1.00 0.00 C ATOM 454 NH1 ARG A 27 0.652 9.427 -42.841 1.00 0.00 N ATOM 455 NH2 ARG A 27 0.084 11.475 -43.706 1.00 0.00 N ATOM 0 H ARG A 27 3.197 12.275 -36.219 1.00 0.00 H new ATOM 0 HA ARG A 27 0.298 11.840 -36.477 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.499 10.330 -37.932 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.860 9.733 -37.762 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.024 11.772 -38.944 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.680 12.303 -39.160 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.190 10.251 -40.447 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.554 9.672 -40.197 1.00 0.00 H new ATOM 0 HE ARG A 27 0.582 12.310 -41.420 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.962 8.853 -42.057 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.471 8.997 -43.748 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.044 12.480 -43.589 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.095 11.040 -44.611 1.00 0.00 H new ATOM 469 N ILE A 28 1.765 11.099 -34.164 1.00 0.00 N ATOM 470 CA ILE A 28 2.039 10.336 -32.948 1.00 0.00 C ATOM 471 C ILE A 28 0.894 9.380 -32.610 1.00 0.00 C ATOM 472 O ILE A 28 1.128 8.231 -32.234 1.00 0.00 O ATOM 473 CB ILE A 28 2.287 11.270 -31.742 1.00 0.00 C ATOM 474 CG1 ILE A 28 3.448 12.221 -32.037 1.00 0.00 C ATOM 475 CG2 ILE A 28 2.570 10.458 -30.484 1.00 0.00 C ATOM 476 CD1 ILE A 28 3.772 13.164 -30.898 1.00 0.00 C ATOM 0 H ILE A 28 1.777 12.111 -34.035 1.00 0.00 H new ATOM 0 HA ILE A 28 2.939 9.754 -33.145 1.00 0.00 H new ATOM 0 HB ILE A 28 1.387 11.861 -31.573 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.335 11.633 -32.273 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.208 12.807 -32.924 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.742 11.133 -29.646 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.716 9.818 -30.264 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.455 9.841 -30.640 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.605 13.806 -31.183 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.900 13.779 -30.675 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.044 12.587 -30.014 1.00 0.00 H new ATOM 488 N LEU A 29 -0.340 9.851 -32.759 1.00 0.00 N ATOM 489 CA LEU A 29 -1.507 9.039 -32.424 1.00 0.00 C ATOM 490 C LEU A 29 -1.619 7.841 -33.357 1.00 0.00 C ATOM 491 O LEU A 29 -2.016 6.751 -32.939 1.00 0.00 O ATOM 492 CB LEU A 29 -2.801 9.865 -32.483 1.00 0.00 C ATOM 493 CG LEU A 29 -3.023 10.863 -31.336 1.00 0.00 C ATOM 494 CD1 LEU A 29 -2.900 10.174 -29.985 1.00 0.00 C ATOM 495 CD2 LEU A 29 -2.055 12.033 -31.429 1.00 0.00 C ATOM 0 H LEU A 29 -0.558 10.785 -33.107 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.371 8.683 -31.403 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.813 10.416 -33.423 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.646 9.177 -32.506 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.036 11.255 -31.430 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.061 10.902 -29.190 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.647 9.383 -29.910 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.904 9.743 -29.886 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.237 12.722 -30.604 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.031 11.663 -31.374 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.203 12.553 -32.375 1.00 0.00 H new ATOM 507 N ILE A 30 -1.254 8.041 -34.614 1.00 0.00 N ATOM 508 CA ILE A 30 -1.301 6.970 -35.599 1.00 0.00 C ATOM 509 C ILE A 30 -0.210 5.948 -35.311 1.00 0.00 C ATOM 510 O ILE A 30 -0.471 4.748 -35.267 1.00 0.00 O ATOM 511 CB ILE A 30 -1.160 7.492 -37.052 1.00 0.00 C ATOM 512 CG1 ILE A 30 -2.395 8.300 -37.472 1.00 0.00 C ATOM 513 CG2 ILE A 30 -0.946 6.339 -38.020 1.00 0.00 C ATOM 514 CD1 ILE A 30 -2.473 9.682 -36.863 1.00 0.00 C ATOM 0 H ILE A 30 -0.922 8.935 -34.977 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.282 6.502 -35.516 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.290 8.147 -37.083 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.401 8.394 -38.558 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.290 7.743 -37.195 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.850 6.728 -39.034 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.037 5.801 -37.750 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.797 5.660 -37.971 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.376 10.183 -37.213 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.501 9.600 -35.776 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.598 10.261 -37.160 1.00 0.00 H new ATOM 526 N PHE A 31 1.004 6.431 -35.082 1.00 0.00 N ATOM 527 CA PHE A 31 2.125 5.554 -34.768 1.00 0.00 C ATOM 528 C PHE A 31 1.825 4.763 -33.495 1.00 0.00 C ATOM 529 O PHE A 31 2.226 3.606 -33.352 1.00 0.00 O ATOM 530 CB PHE A 31 3.408 6.375 -34.594 1.00 0.00 C ATOM 531 CG PHE A 31 4.668 5.561 -34.710 1.00 0.00 C ATOM 532 CD1 PHE A 31 5.124 4.797 -33.648 1.00 0.00 C ATOM 533 CD2 PHE A 31 5.396 5.563 -35.889 1.00 0.00 C ATOM 534 CE1 PHE A 31 6.281 4.049 -33.758 1.00 0.00 C ATOM 535 CE2 PHE A 31 6.554 4.818 -36.006 1.00 0.00 C ATOM 536 CZ PHE A 31 6.996 4.059 -34.940 1.00 0.00 C ATOM 0 H PHE A 31 1.238 7.424 -35.108 1.00 0.00 H new ATOM 0 HA PHE A 31 2.270 4.855 -35.592 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.427 7.166 -35.344 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.388 6.861 -33.618 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.568 4.786 -32.722 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.054 6.154 -36.726 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.625 3.458 -32.922 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.113 4.829 -36.930 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.899 3.474 -35.030 1.00 0.00 H new ATOM 546 N LEU A 32 1.093 5.398 -32.585 1.00 0.00 N ATOM 547 CA LEU A 32 0.715 4.779 -31.322 1.00 0.00 C ATOM 548 C LEU A 32 -0.215 3.590 -31.562 1.00 0.00 C ATOM 549 O LEU A 32 -0.049 2.535 -30.950 1.00 0.00 O ATOM 550 CB LEU A 32 0.049 5.826 -30.412 1.00 0.00 C ATOM 551 CG LEU A 32 -0.142 5.429 -28.942 1.00 0.00 C ATOM 552 CD1 LEU A 32 -0.234 6.671 -28.072 1.00 0.00 C ATOM 553 CD2 LEU A 32 -1.396 4.586 -28.761 1.00 0.00 C ATOM 0 H LEU A 32 0.748 6.351 -32.702 1.00 0.00 H new ATOM 0 HA LEU A 32 1.610 4.404 -30.826 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.647 6.737 -30.445 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.928 6.070 -30.830 1.00 0.00 H new ATOM 0 HG LEU A 32 0.721 4.836 -28.640 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.369 6.377 -27.031 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.683 7.252 -28.169 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.082 7.277 -28.391 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.506 4.319 -27.710 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.267 5.156 -29.084 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.314 3.678 -29.359 1.00 0.00 H new ATOM 565 N LEU A 33 -1.178 3.749 -32.469 1.00 0.00 N ATOM 566 CA LEU A 33 -2.128 2.676 -32.746 1.00 0.00 C ATOM 567 C LEU A 33 -1.429 1.533 -33.470 1.00 0.00 C ATOM 568 O LEU A 33 -1.757 0.365 -33.269 1.00 0.00 O ATOM 569 CB LEU A 33 -3.345 3.196 -33.538 1.00 0.00 C ATOM 570 CG LEU A 33 -3.131 3.540 -35.019 1.00 0.00 C ATOM 571 CD1 LEU A 33 -3.288 2.311 -35.904 1.00 0.00 C ATOM 572 CD2 LEU A 33 -4.102 4.627 -35.451 1.00 0.00 C ATOM 0 H LEU A 33 -1.319 4.598 -33.017 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.508 2.295 -31.798 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.132 2.444 -33.477 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.717 4.089 -33.035 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.111 3.906 -35.134 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.130 2.590 -36.946 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.555 1.558 -35.615 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.292 1.903 -35.786 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.940 4.862 -36.503 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.125 4.278 -35.310 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.938 5.521 -34.850 1.00 0.00 H new ATOM 584 N GLU A 34 -0.448 1.878 -34.301 1.00 0.00 N ATOM 585 CA GLU A 34 0.377 0.881 -34.968 1.00 0.00 C ATOM 586 C GLU A 34 1.145 0.076 -33.935 1.00 0.00 C ATOM 587 O GLU A 34 1.311 -1.137 -34.064 1.00 0.00 O ATOM 588 CB GLU A 34 1.369 1.543 -35.916 1.00 0.00 C ATOM 589 CG GLU A 34 0.746 2.504 -36.906 1.00 0.00 C ATOM 590 CD GLU A 34 1.753 3.024 -37.906 1.00 0.00 C ATOM 591 OE1 GLU A 34 2.710 3.715 -37.498 1.00 0.00 O ATOM 592 OE2 GLU A 34 1.606 2.727 -39.111 1.00 0.00 O ATOM 0 H GLU A 34 -0.207 2.843 -34.527 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.279 0.226 -35.542 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.113 2.080 -35.327 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.899 0.766 -36.467 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.064 2.003 -37.436 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.305 3.343 -36.368 1.00 0.00 H new ATOM 599 N PHE A 35 1.615 0.774 -32.912 1.00 0.00 N ATOM 600 CA PHE A 35 2.343 0.153 -31.818 1.00 0.00 C ATOM 601 C PHE A 35 1.443 -0.822 -31.073 1.00 0.00 C ATOM 602 O PHE A 35 1.868 -1.912 -30.708 1.00 0.00 O ATOM 603 CB PHE A 35 2.886 1.222 -30.863 1.00 0.00 C ATOM 604 CG PHE A 35 3.597 0.661 -29.662 1.00 0.00 C ATOM 605 CD1 PHE A 35 2.979 0.642 -28.421 1.00 0.00 C ATOM 606 CD2 PHE A 35 4.879 0.148 -29.777 1.00 0.00 C ATOM 607 CE1 PHE A 35 3.627 0.122 -27.318 1.00 0.00 C ATOM 608 CE2 PHE A 35 5.533 -0.372 -28.675 1.00 0.00 C ATOM 609 CZ PHE A 35 4.906 -0.386 -27.445 1.00 0.00 C ATOM 0 H PHE A 35 1.503 1.783 -32.818 1.00 0.00 H new ATOM 0 HA PHE A 35 3.187 -0.400 -32.230 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.572 1.869 -31.410 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.059 1.847 -30.525 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.980 1.038 -28.316 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.373 0.154 -30.737 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.135 0.112 -26.357 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.533 -0.767 -28.776 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.414 -0.793 -26.583 1.00 0.00 H new ATOM 619 N LEU A 36 0.191 -0.427 -30.867 1.00 0.00 N ATOM 620 CA LEU A 36 -0.784 -1.284 -30.198 1.00 0.00 C ATOM 621 C LEU A 36 -0.982 -2.580 -30.977 1.00 0.00 C ATOM 622 O LEU A 36 -1.083 -3.662 -30.395 1.00 0.00 O ATOM 623 CB LEU A 36 -2.127 -0.558 -30.052 1.00 0.00 C ATOM 624 CG LEU A 36 -2.082 0.762 -29.282 1.00 0.00 C ATOM 625 CD1 LEU A 36 -3.467 1.385 -29.217 1.00 0.00 C ATOM 626 CD2 LEU A 36 -1.527 0.553 -27.881 1.00 0.00 C ATOM 0 H LEU A 36 -0.174 0.482 -31.154 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.400 -1.523 -29.206 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.525 -0.364 -31.048 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.829 -1.226 -29.553 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.418 1.444 -29.813 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.418 2.324 -28.666 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.828 1.576 -30.228 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.150 0.702 -28.711 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.505 1.506 -27.353 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.162 -0.148 -27.339 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.516 0.151 -27.946 1.00 0.00 H new ATOM 638 N LEU A 37 -1.013 -2.460 -32.298 1.00 0.00 N ATOM 639 CA LEU A 37 -1.221 -3.610 -33.171 1.00 0.00 C ATOM 640 C LEU A 37 0.019 -4.494 -33.201 1.00 0.00 C ATOM 641 O LEU A 37 -0.080 -5.722 -33.216 1.00 0.00 O ATOM 642 CB LEU A 37 -1.564 -3.142 -34.587 1.00 0.00 C ATOM 643 CG LEU A 37 -2.768 -2.206 -34.687 1.00 0.00 C ATOM 644 CD1 LEU A 37 -2.997 -1.784 -36.130 1.00 0.00 C ATOM 645 CD2 LEU A 37 -4.014 -2.871 -34.120 1.00 0.00 C ATOM 0 H LEU A 37 -0.896 -1.575 -32.791 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.053 -4.194 -32.777 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.694 -2.636 -35.006 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.752 -4.019 -35.207 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.558 -1.314 -34.097 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.858 -1.118 -36.182 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.114 -1.265 -36.502 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.183 -2.667 -36.742 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.860 -2.188 -34.201 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.228 -3.781 -34.681 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.848 -3.121 -33.072 1.00 0.00 H new ATOM 657 N ASP A 38 1.184 -3.859 -33.206 1.00 0.00 N ATOM 658 CA ASP A 38 2.457 -4.573 -33.242 1.00 0.00 C ATOM 659 C ASP A 38 2.724 -5.268 -31.917 1.00 0.00 C ATOM 660 O ASP A 38 3.040 -6.460 -31.872 1.00 0.00 O ATOM 661 CB ASP A 38 3.597 -3.601 -33.537 1.00 0.00 C ATOM 662 CG ASP A 38 4.936 -4.296 -33.677 1.00 0.00 C ATOM 663 OD1 ASP A 38 5.655 -4.420 -32.665 1.00 0.00 O ATOM 664 OD2 ASP A 38 5.286 -4.709 -34.803 1.00 0.00 O ATOM 0 H ASP A 38 1.275 -2.843 -33.185 1.00 0.00 H new ATOM 0 HA ASP A 38 2.400 -5.323 -34.031 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.377 -3.057 -34.456 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.657 -2.864 -32.736 1.00 0.00 H new ATOM 669 N PHE A 39 2.582 -4.506 -30.843 1.00 0.00 N ATOM 670 CA PHE A 39 2.812 -5.002 -29.489 1.00 0.00 C ATOM 671 C PHE A 39 1.763 -6.045 -29.112 1.00 0.00 C ATOM 672 O PHE A 39 1.935 -6.810 -28.163 1.00 0.00 O ATOM 673 CB PHE A 39 2.784 -3.836 -28.496 1.00 0.00 C ATOM 674 CG PHE A 39 3.300 -4.172 -27.126 1.00 0.00 C ATOM 675 CD1 PHE A 39 4.661 -4.178 -26.869 1.00 0.00 C ATOM 676 CD2 PHE A 39 2.426 -4.470 -26.092 1.00 0.00 C ATOM 677 CE1 PHE A 39 5.140 -4.474 -25.610 1.00 0.00 C ATOM 678 CE2 PHE A 39 2.900 -4.768 -24.829 1.00 0.00 C ATOM 679 CZ PHE A 39 4.260 -4.771 -24.589 1.00 0.00 C ATOM 0 H PHE A 39 2.304 -3.525 -30.883 1.00 0.00 H new ATOM 0 HA PHE A 39 3.793 -5.477 -29.453 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.375 -3.015 -28.902 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.759 -3.476 -28.406 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.355 -3.948 -27.664 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.362 -4.469 -26.276 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.204 -4.473 -25.423 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.209 -4.998 -24.032 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.635 -5.005 -23.604 1.00 0.00 H new ATOM 689 N CYS A 40 0.672 -6.048 -29.877 1.00 0.00 N ATOM 690 CA CYS A 40 -0.404 -7.020 -29.723 1.00 0.00 C ATOM 691 C CYS A 40 -1.146 -6.782 -28.412 1.00 0.00 C ATOM 692 O CYS A 40 -1.420 -7.714 -27.657 1.00 0.00 O ATOM 693 CB CYS A 40 0.153 -8.453 -29.793 1.00 0.00 C ATOM 694 SG CYS A 40 -1.100 -9.751 -29.928 1.00 0.00 S ATOM 0 H CYS A 40 0.511 -5.372 -30.624 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.113 -6.895 -30.542 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.824 -8.525 -30.649 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.753 -8.638 -28.902 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.596 -9.999 -28.752 1.00 0.00 H new ATOM 700 N THR A 41 -1.474 -5.522 -28.151 1.00 0.00 N ATOM 701 CA THR A 41 -2.163 -5.153 -26.926 1.00 0.00 C ATOM 702 C THR A 41 -3.537 -5.815 -26.862 1.00 0.00 C ATOM 703 O THR A 41 -4.211 -5.972 -27.881 1.00 0.00 O ATOM 704 CB THR A 41 -2.306 -3.622 -26.801 1.00 0.00 C ATOM 705 OG1 THR A 41 -2.895 -3.075 -27.988 1.00 0.00 O ATOM 706 CG2 THR A 41 -0.954 -2.971 -26.556 1.00 0.00 C ATOM 0 H THR A 41 -1.272 -4.740 -28.774 1.00 0.00 H new ATOM 0 HA THR A 41 -1.561 -5.507 -26.089 1.00 0.00 H new ATOM 0 HB THR A 41 -2.955 -3.414 -25.951 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.255 -3.133 -28.728 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.080 -1.892 -26.471 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.525 -3.360 -25.633 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.287 -3.194 -27.388 1.00 0.00 H new ATOM 714 N GLY A 42 -3.938 -6.220 -25.669 1.00 0.00 N ATOM 715 CA GLY A 42 -5.194 -6.922 -25.516 1.00 0.00 C ATOM 716 C GLY A 42 -4.982 -8.363 -25.114 1.00 0.00 C ATOM 717 O GLY A 42 -5.937 -9.130 -24.999 1.00 0.00 O ATOM 0 H GLY A 42 -3.417 -6.076 -24.804 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.803 -6.420 -24.764 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.749 -6.883 -26.453 1.00 0.00 H new ATOM 721 N GLU A 43 -3.719 -8.733 -24.919 1.00 0.00 N ATOM 722 CA GLU A 43 -3.366 -10.063 -24.453 1.00 0.00 C ATOM 723 C GLU A 43 -4.054 -10.351 -23.128 1.00 0.00 C ATOM 724 O GLU A 43 -4.730 -11.366 -22.968 1.00 0.00 O ATOM 725 CB GLU A 43 -1.851 -10.179 -24.287 1.00 0.00 C ATOM 726 CG GLU A 43 -1.081 -10.096 -25.595 1.00 0.00 C ATOM 727 CD GLU A 43 -1.423 -11.223 -26.548 1.00 0.00 C ATOM 728 OE1 GLU A 43 -2.337 -11.051 -27.382 1.00 0.00 O ATOM 729 OE2 GLU A 43 -0.773 -12.286 -26.473 1.00 0.00 O ATOM 0 H GLU A 43 -2.919 -8.121 -25.079 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.698 -10.792 -25.192 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.506 -9.387 -23.623 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.620 -11.126 -23.800 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.293 -9.142 -26.077 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.012 -10.116 -25.384 1.00 0.00 H new ATOM 736 N ASP A 44 -3.882 -9.439 -22.188 1.00 0.00 N ATOM 737 CA ASP A 44 -4.537 -9.536 -20.897 1.00 0.00 C ATOM 738 C ASP A 44 -5.715 -8.583 -20.854 1.00 0.00 C ATOM 739 O ASP A 44 -5.556 -7.383 -20.622 1.00 0.00 O ATOM 740 CB ASP A 44 -3.570 -9.204 -19.767 1.00 0.00 C ATOM 741 CG ASP A 44 -4.197 -9.401 -18.402 1.00 0.00 C ATOM 742 OD1 ASP A 44 -4.674 -8.411 -17.809 1.00 0.00 O ATOM 743 OD2 ASP A 44 -4.216 -10.553 -17.916 1.00 0.00 O ATOM 0 H ASP A 44 -3.289 -8.616 -22.297 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.883 -10.561 -20.763 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.684 -9.833 -19.852 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.238 -8.171 -19.867 1.00 0.00 H new ATOM 748 N SER A 45 -6.886 -9.116 -21.114 1.00 0.00 N ATOM 749 CA SER A 45 -8.102 -8.325 -21.125 1.00 0.00 C ATOM 750 C SER A 45 -9.216 -9.038 -20.364 1.00 0.00 C ATOM 751 O SER A 45 -10.184 -9.513 -20.954 1.00 0.00 O ATOM 752 CB SER A 45 -8.533 -8.045 -22.570 1.00 0.00 C ATOM 753 OG SER A 45 -9.649 -7.170 -22.619 1.00 0.00 O ATOM 0 H SER A 45 -7.026 -10.104 -21.323 1.00 0.00 H new ATOM 0 HA SER A 45 -7.904 -7.376 -20.627 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.701 -7.606 -23.121 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.783 -8.984 -23.065 1.00 0.00 H new ATOM 0 HG SER A 45 -9.899 -7.010 -23.553 1.00 0.00 H new ATOM 759 N VAL A 46 -9.065 -9.125 -19.052 1.00 0.00 N ATOM 760 CA VAL A 46 -10.106 -9.682 -18.202 1.00 0.00 C ATOM 761 C VAL A 46 -10.759 -8.580 -17.373 1.00 0.00 C ATOM 762 O VAL A 46 -11.923 -8.690 -16.985 1.00 0.00 O ATOM 763 CB VAL A 46 -9.565 -10.790 -17.271 1.00 0.00 C ATOM 764 CG1 VAL A 46 -9.205 -12.031 -18.073 1.00 0.00 C ATOM 765 CG2 VAL A 46 -8.359 -10.300 -16.479 1.00 0.00 C ATOM 0 H VAL A 46 -8.231 -8.817 -18.552 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.850 -10.135 -18.857 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.352 -11.049 -16.563 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.826 -12.801 -17.401 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.092 -12.402 -18.587 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.439 -11.780 -18.807 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.999 -11.100 -15.832 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.567 -10.006 -17.167 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.647 -9.443 -15.870 1.00 0.00 H new ATOM 775 N ASP A 47 -9.978 -7.529 -17.100 1.00 0.00 N ATOM 776 CA ASP A 47 -10.455 -6.315 -16.419 1.00 0.00 C ATOM 777 C ASP A 47 -10.799 -6.576 -14.949 1.00 0.00 C ATOM 778 O ASP A 47 -11.037 -5.646 -14.180 1.00 0.00 O ATOM 779 CB ASP A 47 -11.669 -5.732 -17.159 1.00 0.00 C ATOM 780 CG ASP A 47 -12.058 -4.350 -16.669 1.00 0.00 C ATOM 781 OD1 ASP A 47 -11.414 -3.364 -17.084 1.00 0.00 O ATOM 782 OD2 ASP A 47 -13.031 -4.237 -15.890 1.00 0.00 O ATOM 0 H ASP A 47 -8.989 -7.494 -17.346 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.642 -5.589 -16.437 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.448 -5.684 -18.225 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.518 -6.405 -17.039 1.00 0.00 H new ATOM 787 N GLY A 48 -10.797 -7.841 -14.554 1.00 0.00 N ATOM 788 CA GLY A 48 -11.187 -8.200 -13.206 1.00 0.00 C ATOM 789 C GLY A 48 -12.616 -8.695 -13.158 1.00 0.00 C ATOM 790 O GLY A 48 -13.174 -8.915 -12.082 1.00 0.00 O ATOM 0 H GLY A 48 -10.531 -8.628 -15.146 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.519 -8.974 -12.826 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.078 -7.335 -12.551 1.00 0.00 H new ATOM 794 N LYS A 49 -13.212 -8.865 -14.330 1.00 0.00 N ATOM 795 CA LYS A 49 -14.582 -9.343 -14.434 1.00 0.00 C ATOM 796 C LYS A 49 -14.607 -10.717 -15.090 1.00 0.00 C ATOM 797 O LYS A 49 -13.555 -11.270 -15.411 1.00 0.00 O ATOM 798 CB LYS A 49 -15.435 -8.370 -15.254 1.00 0.00 C ATOM 799 CG LYS A 49 -15.415 -6.941 -14.738 1.00 0.00 C ATOM 800 CD LYS A 49 -16.308 -6.040 -15.578 1.00 0.00 C ATOM 801 CE LYS A 49 -16.173 -4.578 -15.179 1.00 0.00 C ATOM 802 NZ LYS A 49 -16.566 -4.341 -13.762 1.00 0.00 N ATOM 0 H LYS A 49 -12.764 -8.677 -15.227 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.996 -9.412 -13.428 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.084 -8.377 -16.286 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.465 -8.727 -15.265 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.748 -6.922 -13.700 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.394 -6.561 -14.752 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -16.051 -6.154 -16.631 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.346 -6.352 -15.467 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.142 -4.257 -15.326 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.794 -3.966 -15.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.539 -3.321 -13.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.529 -4.700 -13.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.904 -4.836 -13.131 1.00 0.00 H new ATOM 816 N LYS A 50 -15.796 -11.265 -15.289 1.00 0.00 N ATOM 817 CA LYS A 50 -15.933 -12.534 -15.987 1.00 0.00 C ATOM 818 C LYS A 50 -15.954 -12.292 -17.495 1.00 0.00 C ATOM 819 O LYS A 50 -14.921 -12.397 -18.155 1.00 0.00 O ATOM 820 CB LYS A 50 -17.201 -13.265 -15.533 1.00 0.00 C ATOM 821 CG LYS A 50 -17.362 -14.649 -16.139 1.00 0.00 C ATOM 822 CD LYS A 50 -18.625 -15.330 -15.644 1.00 0.00 C ATOM 823 CE LYS A 50 -18.775 -16.725 -16.227 1.00 0.00 C ATOM 824 NZ LYS A 50 -18.903 -16.703 -17.707 1.00 0.00 N ATOM 0 H LYS A 50 -16.676 -10.853 -14.979 1.00 0.00 H new ATOM 0 HA LYS A 50 -15.079 -13.167 -15.746 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -17.189 -13.354 -14.447 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.070 -12.661 -15.794 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.392 -14.570 -17.226 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.495 -15.260 -15.888 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.604 -15.390 -14.556 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -19.493 -14.728 -15.913 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -17.912 -17.329 -15.947 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.653 -17.205 -15.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.188 -17.644 -18.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -19.622 -16.004 -17.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -17.989 -16.445 -18.131 1.00 0.00 H new ATOM 838 N ARG A 51 -17.134 -11.939 -18.019 1.00 0.00 N ATOM 839 CA ARG A 51 -17.311 -11.588 -19.431 1.00 0.00 C ATOM 840 C ARG A 51 -16.895 -12.720 -20.373 1.00 0.00 C ATOM 841 O ARG A 51 -15.714 -12.908 -20.660 1.00 0.00 O ATOM 842 CB ARG A 51 -16.546 -10.309 -19.766 1.00 0.00 C ATOM 843 CG ARG A 51 -17.071 -9.077 -19.046 1.00 0.00 C ATOM 844 CD ARG A 51 -18.551 -8.852 -19.324 1.00 0.00 C ATOM 845 NE ARG A 51 -18.994 -7.530 -18.892 1.00 0.00 N ATOM 846 CZ ARG A 51 -20.269 -7.191 -18.703 1.00 0.00 C ATOM 847 NH1 ARG A 51 -21.236 -8.081 -18.895 1.00 0.00 N ATOM 848 NH2 ARG A 51 -20.574 -5.955 -18.332 1.00 0.00 N ATOM 0 H ARG A 51 -17.994 -11.889 -17.473 1.00 0.00 H new ATOM 0 HA ARG A 51 -18.377 -11.419 -19.584 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.495 -10.447 -19.512 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -16.594 -10.139 -20.842 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -16.915 -9.188 -17.973 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -16.504 -8.201 -19.362 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -18.741 -8.967 -20.391 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -19.136 -9.616 -18.812 1.00 0.00 H new ATOM 0 HE ARG A 51 -18.282 -6.820 -18.724 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -21.005 -9.030 -19.189 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -22.210 -7.815 -18.749 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -19.834 -5.267 -18.192 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -21.549 -5.692 -18.186 1.00 0.00 H new ATOM 862 N GLN A 52 -17.888 -13.437 -20.884 1.00 0.00 N ATOM 863 CA GLN A 52 -17.662 -14.598 -21.744 1.00 0.00 C ATOM 864 C GLN A 52 -16.921 -14.238 -23.032 1.00 0.00 C ATOM 865 O GLN A 52 -16.239 -15.081 -23.616 1.00 0.00 O ATOM 866 CB GLN A 52 -18.999 -15.250 -22.085 1.00 0.00 C ATOM 867 CG GLN A 52 -19.694 -15.866 -20.888 1.00 0.00 C ATOM 868 CD GLN A 52 -21.111 -16.294 -21.200 1.00 0.00 C ATOM 869 OE1 GLN A 52 -21.357 -17.422 -21.630 1.00 0.00 O ATOM 870 NE2 GLN A 52 -22.054 -15.390 -20.990 1.00 0.00 N ATOM 0 H GLN A 52 -18.873 -13.232 -20.716 1.00 0.00 H new ATOM 0 HA GLN A 52 -17.031 -15.294 -21.192 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -19.655 -14.503 -22.531 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -18.836 -16.022 -22.838 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -19.124 -16.729 -20.545 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -19.707 -15.147 -20.069 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -21.806 -14.467 -20.633 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -23.029 -15.616 -21.185 1.00 0.00 H new ATOM 879 N ARG A 53 -17.061 -12.996 -23.479 1.00 0.00 N ATOM 880 CA ARG A 53 -16.395 -12.550 -24.701 1.00 0.00 C ATOM 881 C ARG A 53 -14.910 -12.312 -24.454 1.00 0.00 C ATOM 882 O ARG A 53 -14.139 -12.108 -25.391 1.00 0.00 O ATOM 883 CB ARG A 53 -17.044 -11.277 -25.246 1.00 0.00 C ATOM 884 CG ARG A 53 -18.457 -11.486 -25.762 1.00 0.00 C ATOM 885 CD ARG A 53 -19.057 -10.191 -26.285 1.00 0.00 C ATOM 886 NE ARG A 53 -18.260 -9.604 -27.364 1.00 0.00 N ATOM 887 CZ ARG A 53 -18.477 -8.396 -27.883 1.00 0.00 C ATOM 888 NH1 ARG A 53 -19.490 -7.651 -27.446 1.00 0.00 N ATOM 889 NH2 ARG A 53 -17.682 -7.936 -28.842 1.00 0.00 N ATOM 0 H ARG A 53 -17.626 -12.282 -23.019 1.00 0.00 H new ATOM 0 HA ARG A 53 -16.504 -13.341 -25.443 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -17.062 -10.523 -24.459 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -16.427 -10.881 -26.053 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -18.448 -12.231 -26.557 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -19.083 -11.881 -24.962 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -20.068 -10.381 -26.646 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -19.140 -9.475 -25.467 1.00 0.00 H new ATOM 0 HE ARG A 53 -17.490 -10.155 -27.743 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -20.103 -8.004 -26.711 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -19.653 -6.727 -27.846 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.907 -8.507 -29.180 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.846 -7.012 -29.241 1.00 0.00 H new ATOM 903 N HIS A 54 -14.518 -12.340 -23.189 1.00 0.00 N ATOM 904 CA HIS A 54 -13.123 -12.173 -22.816 1.00 0.00 C ATOM 905 C HIS A 54 -12.549 -13.523 -22.412 1.00 0.00 C ATOM 906 O HIS A 54 -13.210 -14.288 -21.709 1.00 0.00 O ATOM 907 CB HIS A 54 -12.985 -11.167 -21.669 1.00 0.00 C ATOM 908 CG HIS A 54 -13.363 -9.760 -22.041 1.00 0.00 C ATOM 909 ND1 HIS A 54 -12.471 -8.712 -22.019 1.00 0.00 N ATOM 910 CD2 HIS A 54 -14.547 -9.232 -22.431 1.00 0.00 C ATOM 911 CE1 HIS A 54 -13.087 -7.602 -22.375 1.00 0.00 C ATOM 912 NE2 HIS A 54 -14.348 -7.889 -22.631 1.00 0.00 N ATOM 0 H HIS A 54 -15.150 -12.478 -22.401 1.00 0.00 H new ATOM 0 HA HIS A 54 -12.568 -11.784 -23.670 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -13.610 -11.492 -20.837 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -11.954 -11.174 -21.315 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -11.485 -8.783 -21.766 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -15.476 -9.768 -22.561 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.635 -6.624 -22.445 1.00 0.00 H new ATOM 921 N SER A 55 -11.338 -13.811 -22.886 1.00 0.00 N ATOM 922 CA SER A 55 -10.679 -15.105 -22.680 1.00 0.00 C ATOM 923 C SER A 55 -11.325 -16.183 -23.557 1.00 0.00 C ATOM 924 O SER A 55 -10.632 -16.988 -24.184 1.00 0.00 O ATOM 925 CB SER A 55 -10.691 -15.516 -21.198 1.00 0.00 C ATOM 926 OG SER A 55 -9.899 -16.673 -20.965 1.00 0.00 O ATOM 0 H SER A 55 -10.781 -13.150 -23.428 1.00 0.00 H new ATOM 0 HA SER A 55 -9.636 -15.000 -22.978 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.319 -14.692 -20.589 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.716 -15.708 -20.882 1.00 0.00 H new ATOM 0 HG SER A 55 -9.929 -16.904 -20.013 1.00 0.00 H new ATOM 932 N GLY A 56 -12.653 -16.190 -23.602 1.00 0.00 N ATOM 933 CA GLY A 56 -13.364 -17.077 -24.492 1.00 0.00 C ATOM 934 C GLY A 56 -14.062 -18.202 -23.764 1.00 0.00 C ATOM 935 O GLY A 56 -13.903 -18.366 -22.553 1.00 0.00 O ATOM 0 H GLY A 56 -13.250 -15.591 -23.032 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.100 -16.504 -25.057 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.664 -17.497 -25.214 1.00 0.00 H new ATOM 939 N LEU A 57 -14.860 -18.960 -24.501 1.00 0.00 N ATOM 940 CA LEU A 57 -15.510 -20.143 -23.961 1.00 0.00 C ATOM 941 C LEU A 57 -14.848 -21.390 -24.521 1.00 0.00 C ATOM 942 O LEU A 57 -14.106 -22.085 -23.825 1.00 0.00 O ATOM 943 CB LEU A 57 -17.000 -20.145 -24.306 1.00 0.00 C ATOM 944 CG LEU A 57 -17.779 -18.931 -23.807 1.00 0.00 C ATOM 945 CD1 LEU A 57 -19.249 -19.053 -24.168 1.00 0.00 C ATOM 946 CD2 LEU A 57 -17.606 -18.775 -22.309 1.00 0.00 C ATOM 0 H LEU A 57 -15.073 -18.774 -25.481 1.00 0.00 H new ATOM 0 HA LEU A 57 -15.407 -20.133 -22.876 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -17.107 -20.206 -25.389 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.453 -21.045 -23.890 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.383 -18.040 -24.295 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -19.787 -18.178 -23.804 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -19.353 -19.118 -25.251 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -19.663 -19.951 -23.709 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -18.167 -17.905 -21.967 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -17.977 -19.667 -21.805 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -16.550 -18.640 -22.077 1.00 0.00 H new ATOM 958 N THR A 58 -15.110 -21.655 -25.789 1.00 0.00 N ATOM 959 CA THR A 58 -14.508 -22.776 -26.483 1.00 0.00 C ATOM 960 C THR A 58 -13.276 -22.334 -27.268 1.00 0.00 C ATOM 961 O THR A 58 -12.703 -23.108 -28.037 1.00 0.00 O ATOM 962 CB THR A 58 -15.518 -23.427 -27.443 1.00 0.00 C ATOM 963 OG1 THR A 58 -16.140 -22.423 -28.258 1.00 0.00 O ATOM 964 CG2 THR A 58 -16.579 -24.198 -26.676 1.00 0.00 C ATOM 0 H THR A 58 -15.744 -21.100 -26.364 1.00 0.00 H new ATOM 0 HA THR A 58 -14.206 -23.505 -25.731 1.00 0.00 H new ATOM 0 HB THR A 58 -14.978 -24.127 -28.081 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.780 -22.847 -28.867 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.280 -24.648 -27.378 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.104 -24.981 -26.085 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.115 -23.518 -26.013 1.00 0.00 H new ATOM 972 N GLU A 59 -12.879 -21.082 -27.073 1.00 0.00 N ATOM 973 CA GLU A 59 -11.720 -20.530 -27.761 1.00 0.00 C ATOM 974 C GLU A 59 -10.433 -21.067 -27.147 1.00 0.00 C ATOM 975 O GLU A 59 -10.032 -20.653 -26.059 1.00 0.00 O ATOM 976 CB GLU A 59 -11.747 -19.000 -27.709 1.00 0.00 C ATOM 977 CG GLU A 59 -12.932 -18.394 -28.446 1.00 0.00 C ATOM 978 CD GLU A 59 -12.944 -16.879 -28.412 1.00 0.00 C ATOM 979 OE1 GLU A 59 -13.703 -16.305 -27.602 1.00 0.00 O ATOM 980 OE2 GLU A 59 -12.203 -16.251 -29.203 1.00 0.00 O ATOM 0 H GLU A 59 -13.344 -20.429 -26.442 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.756 -20.838 -28.806 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.773 -18.679 -26.668 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.824 -18.612 -28.139 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.916 -18.728 -29.484 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.856 -18.768 -28.005 1.00 0.00 H new ATOM 987 N GLN A 60 -9.796 -21.992 -27.851 1.00 0.00 N ATOM 988 CA GLN A 60 -8.607 -22.661 -27.357 1.00 0.00 C ATOM 989 C GLN A 60 -7.814 -23.242 -28.524 1.00 0.00 C ATOM 990 O GLN A 60 -7.996 -24.395 -28.921 1.00 0.00 O ATOM 991 CB GLN A 60 -8.980 -23.748 -26.338 1.00 0.00 C ATOM 992 CG GLN A 60 -10.025 -24.740 -26.826 1.00 0.00 C ATOM 993 CD GLN A 60 -10.400 -25.758 -25.768 1.00 0.00 C ATOM 994 OE1 GLN A 60 -9.597 -26.092 -24.897 1.00 0.00 O ATOM 995 NE2 GLN A 60 -11.617 -26.271 -25.845 1.00 0.00 N ATOM 0 H GLN A 60 -10.090 -22.297 -28.779 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.978 -21.933 -26.845 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.078 -24.295 -26.064 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.349 -23.267 -25.432 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.918 -24.198 -27.136 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.645 -25.259 -27.706 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.253 -25.967 -26.583 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.920 -26.970 -25.167 1.00 0.00 H new ATOM 1004 N THR A 61 -6.975 -22.402 -29.105 1.00 0.00 N ATOM 1005 CA THR A 61 -6.095 -22.802 -30.195 1.00 0.00 C ATOM 1006 C THR A 61 -5.248 -24.013 -29.804 1.00 0.00 C ATOM 1007 O THR A 61 -4.481 -23.961 -28.840 1.00 0.00 O ATOM 1008 CB THR A 61 -5.162 -21.639 -30.592 1.00 0.00 C ATOM 1009 OG1 THR A 61 -5.936 -20.462 -30.861 1.00 0.00 O ATOM 1010 CG2 THR A 61 -4.333 -21.994 -31.818 1.00 0.00 C ATOM 0 H THR A 61 -6.883 -21.422 -28.836 1.00 0.00 H new ATOM 0 HA THR A 61 -6.725 -23.070 -31.043 1.00 0.00 H new ATOM 0 HB THR A 61 -4.484 -21.451 -29.760 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.338 -19.727 -31.111 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.685 -21.156 -32.074 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.723 -22.871 -31.603 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.996 -22.209 -32.656 1.00 0.00 H new ATOM 1018 N TYR A 62 -5.405 -25.104 -30.542 1.00 0.00 N ATOM 1019 CA TYR A 62 -4.613 -26.302 -30.308 1.00 0.00 C ATOM 1020 C TYR A 62 -3.334 -26.247 -31.126 1.00 0.00 C ATOM 1021 O TYR A 62 -3.282 -25.578 -32.158 1.00 0.00 O ATOM 1022 CB TYR A 62 -5.408 -27.558 -30.670 1.00 0.00 C ATOM 1023 CG TYR A 62 -6.607 -27.804 -29.784 1.00 0.00 C ATOM 1024 CD1 TYR A 62 -7.890 -27.499 -30.217 1.00 0.00 C ATOM 1025 CD2 TYR A 62 -6.453 -28.343 -28.514 1.00 0.00 C ATOM 1026 CE1 TYR A 62 -8.986 -27.729 -29.411 1.00 0.00 C ATOM 1027 CE2 TYR A 62 -7.545 -28.575 -27.702 1.00 0.00 C ATOM 1028 CZ TYR A 62 -8.808 -28.266 -28.155 1.00 0.00 C ATOM 1029 OH TYR A 62 -9.900 -28.502 -27.350 1.00 0.00 O ATOM 0 H TYR A 62 -6.074 -25.183 -31.308 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.362 -26.346 -29.248 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -5.744 -27.477 -31.704 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.746 -28.422 -30.616 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -8.033 -27.075 -31.200 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -5.463 -28.585 -28.156 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.978 -27.489 -29.763 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.409 -28.997 -26.717 1.00 0.00 H new ATOM 0 HH TYR A 62 -9.602 -28.883 -26.498 1.00 0.00 H new ATOM 1039 N SER A 63 -2.307 -26.938 -30.661 1.00 0.00 N ATOM 1040 CA SER A 63 -1.031 -26.958 -31.351 1.00 0.00 C ATOM 1041 C SER A 63 -0.261 -28.230 -30.997 1.00 0.00 C ATOM 1042 O SER A 63 0.829 -28.178 -30.428 1.00 0.00 O ATOM 1043 CB SER A 63 -0.216 -25.710 -30.983 1.00 0.00 C ATOM 1044 OG SER A 63 0.951 -25.588 -31.783 1.00 0.00 O ATOM 0 H SER A 63 -2.334 -27.494 -29.806 1.00 0.00 H new ATOM 0 HA SER A 63 -1.207 -26.952 -32.427 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.836 -24.822 -31.106 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.067 -25.758 -29.932 1.00 0.00 H new ATOM 0 HG SER A 63 1.444 -24.782 -31.522 1.00 0.00 H new ATOM 1050 N ALA A 64 -0.834 -29.376 -31.338 1.00 0.00 N ATOM 1051 CA ALA A 64 -0.215 -30.660 -31.024 1.00 0.00 C ATOM 1052 C ALA A 64 0.515 -31.230 -32.237 1.00 0.00 C ATOM 1053 O ALA A 64 0.760 -32.437 -32.321 1.00 0.00 O ATOM 1054 CB ALA A 64 -1.257 -31.642 -30.513 1.00 0.00 C ATOM 0 H ALA A 64 -1.724 -29.445 -31.831 1.00 0.00 H new ATOM 0 HA ALA A 64 0.522 -30.497 -30.237 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.778 -32.594 -30.284 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.722 -31.243 -29.611 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.019 -31.794 -31.277 1.00 0.00 H new ATOM 1060 N LEU A 65 0.851 -30.338 -33.170 1.00 0.00 N ATOM 1061 CA LEU A 65 1.599 -30.686 -34.378 1.00 0.00 C ATOM 1062 C LEU A 65 0.809 -31.645 -35.268 1.00 0.00 C ATOM 1063 O LEU A 65 0.991 -32.860 -35.205 1.00 0.00 O ATOM 1064 CB LEU A 65 2.961 -31.291 -34.018 1.00 0.00 C ATOM 1065 CG LEU A 65 3.870 -30.397 -33.174 1.00 0.00 C ATOM 1066 CD1 LEU A 65 5.173 -31.110 -32.854 1.00 0.00 C ATOM 1067 CD2 LEU A 65 4.144 -29.082 -33.888 1.00 0.00 C ATOM 0 H LEU A 65 0.610 -29.349 -33.108 1.00 0.00 H new ATOM 0 HA LEU A 65 1.763 -29.766 -34.939 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.795 -32.224 -33.479 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.483 -31.544 -34.941 1.00 0.00 H new ATOM 0 HG LEU A 65 3.358 -30.178 -32.237 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.807 -30.458 -32.253 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.961 -32.023 -32.298 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.688 -31.361 -33.781 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.793 -28.461 -33.270 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.633 -29.281 -34.842 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.203 -28.561 -34.064 1.00 0.00 H new ATOM 1079 N PRO A 66 -0.080 -31.106 -36.117 1.00 0.00 N ATOM 1080 CA PRO A 66 -0.876 -31.907 -37.049 1.00 0.00 C ATOM 1081 C PRO A 66 -0.076 -32.314 -38.284 1.00 0.00 C ATOM 1082 O PRO A 66 -0.490 -32.076 -39.421 1.00 0.00 O ATOM 1083 CB PRO A 66 -2.011 -30.959 -37.423 1.00 0.00 C ATOM 1084 CG PRO A 66 -1.394 -29.610 -37.355 1.00 0.00 C ATOM 1085 CD PRO A 66 -0.384 -29.669 -36.239 1.00 0.00 C ATOM 0 HA PRO A 66 -1.213 -32.848 -36.614 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.395 -31.172 -38.421 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.849 -31.049 -36.732 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.916 -29.352 -38.300 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.147 -28.846 -37.159 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.508 -29.090 -36.476 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.789 -29.265 -35.311 1.00 0.00 H new ATOM 1093 N GLU A 67 1.079 -32.921 -38.048 1.00 0.00 N ATOM 1094 CA GLU A 67 1.963 -33.341 -39.123 1.00 0.00 C ATOM 1095 C GLU A 67 1.668 -34.782 -39.528 1.00 0.00 C ATOM 1096 O GLU A 67 1.875 -35.704 -38.741 1.00 0.00 O ATOM 1097 CB GLU A 67 3.424 -33.213 -38.683 1.00 0.00 C ATOM 1098 CG GLU A 67 3.849 -31.784 -38.380 1.00 0.00 C ATOM 1099 CD GLU A 67 3.740 -30.882 -39.590 1.00 0.00 C ATOM 1100 OE1 GLU A 67 2.729 -30.162 -39.715 1.00 0.00 O ATOM 1101 OE2 GLU A 67 4.663 -30.898 -40.435 1.00 0.00 O ATOM 0 H GLU A 67 1.426 -33.134 -37.113 1.00 0.00 H new ATOM 0 HA GLU A 67 1.790 -32.695 -39.983 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.582 -33.825 -37.795 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.067 -33.615 -39.466 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.229 -31.386 -37.576 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.878 -31.782 -38.020 1.00 0.00 H new ATOM 1108 N PRO A 68 1.164 -34.993 -40.752 1.00 0.00 N ATOM 1109 CA PRO A 68 0.883 -36.335 -41.274 1.00 0.00 C ATOM 1110 C PRO A 68 2.159 -37.155 -41.456 1.00 0.00 C ATOM 1111 O PRO A 68 3.238 -36.599 -41.666 1.00 0.00 O ATOM 1112 CB PRO A 68 0.221 -36.074 -42.633 1.00 0.00 C ATOM 1113 CG PRO A 68 -0.171 -34.636 -42.616 1.00 0.00 C ATOM 1114 CD PRO A 68 0.815 -33.947 -41.722 1.00 0.00 C ATOM 0 HA PRO A 68 0.258 -36.911 -40.592 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.910 -36.283 -43.452 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.648 -36.716 -42.776 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.148 -34.214 -43.621 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.188 -34.514 -42.242 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.688 -33.601 -42.275 1.00 0.00 H new ATOM 0 HD3 PRO A 68 0.379 -33.074 -41.236 1.00 0.00 H new ATOM 1122 N LYS A 69 2.033 -38.474 -41.383 1.00 0.00 N ATOM 1123 CA LYS A 69 3.193 -39.354 -41.484 1.00 0.00 C ATOM 1124 C LYS A 69 3.197 -40.134 -42.799 1.00 0.00 C ATOM 1125 O LYS A 69 3.859 -41.169 -42.911 1.00 0.00 O ATOM 1126 CB LYS A 69 3.237 -40.330 -40.303 1.00 0.00 C ATOM 1127 CG LYS A 69 1.975 -41.165 -40.147 1.00 0.00 C ATOM 1128 CD LYS A 69 2.172 -42.317 -39.173 1.00 0.00 C ATOM 1129 CE LYS A 69 2.573 -41.833 -37.791 1.00 0.00 C ATOM 1130 NZ LYS A 69 2.768 -42.965 -36.849 1.00 0.00 N ATOM 0 H LYS A 69 1.144 -38.957 -41.255 1.00 0.00 H new ATOM 0 HA LYS A 69 4.080 -38.722 -41.460 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.090 -40.998 -40.427 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.404 -39.767 -39.385 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.161 -40.530 -39.798 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.678 -41.559 -41.119 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.249 -42.893 -39.102 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.938 -42.990 -39.558 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.494 -41.255 -37.861 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.805 -41.164 -37.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.041 -42.597 -35.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.882 -43.502 -36.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.518 -43.590 -37.208 1.00 0.00 H new ATOM 1144 N ALA A 70 2.455 -39.628 -43.785 1.00 0.00 N ATOM 1145 CA ALA A 70 2.375 -40.245 -45.113 1.00 0.00 C ATOM 1146 C ALA A 70 1.929 -41.703 -45.024 1.00 0.00 C ATOM 1147 O ALA A 70 2.483 -42.582 -45.684 1.00 0.00 O ATOM 1148 CB ALA A 70 3.712 -40.132 -45.839 1.00 0.00 C ATOM 0 H ALA A 70 1.894 -38.782 -43.688 1.00 0.00 H new ATOM 0 HA ALA A 70 1.623 -39.704 -45.687 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.632 -40.596 -46.822 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.976 -39.081 -45.954 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.484 -40.639 -45.260 1.00 0.00 H new ATOM 1154 N THR A 71 0.929 -41.954 -44.198 1.00 0.00 N ATOM 1155 CA THR A 71 0.424 -43.299 -44.005 1.00 0.00 C ATOM 1156 C THR A 71 -1.085 -43.332 -44.224 1.00 0.00 C ATOM 1157 O THR A 71 -1.832 -42.930 -43.309 1.00 0.00 O ATOM 1158 CB THR A 71 0.769 -43.821 -42.596 1.00 0.00 C ATOM 1159 OG1 THR A 71 2.179 -43.682 -42.366 1.00 0.00 O ATOM 1160 CG2 THR A 71 0.375 -45.282 -42.438 1.00 0.00 C ATOM 1161 OXT THR A 71 -1.514 -43.751 -45.317 1.00 0.00 O ATOM 0 H THR A 71 0.450 -41.240 -43.649 1.00 0.00 H new ATOM 0 HA THR A 71 0.903 -43.950 -44.736 1.00 0.00 H new ATOM 0 HB THR A 71 0.210 -43.233 -41.868 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.398 -44.012 -41.470 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.631 -45.621 -41.434 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.698 -45.388 -42.594 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.910 -45.885 -43.172 1.00 0.00 H new TER 1169 THR A 71