USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 574 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 SER OG : rot -142:sc= 1.03 USER MOD Set 1.2: A 63 GLN : amide:sc= -0.161 K(o=0.87,f=-0.84) USER MOD Single : A 1 LYS NZ :NH3+ -132:sc= -0.767 (180deg=-2.29!) USER MOD Single : A 2 ASN : amide:sc= 0.189 K(o=0.19,f=-0.33) USER MOD Single : A 6 SER OG : rot 44:sc= 0.0713 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ 159:sc= -1.89! (180deg=-3.47!) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET N :NH3+ -140:sc= 0 (180deg=-0.112) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.63) USER MOD Single : A 19 ASN : amide:sc= -0.485 X(o=-0.49,f=-0.2) USER MOD Single : A 20 SER OG : rot 62:sc= 1.21 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.032) USER MOD Single : A 28 LYS NZ :NH3+ 171:sc=-0.000197 (180deg=-0.0777) USER MOD Single : A 31 THR OG1 : rot -47:sc= 0.949 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 49 MET CE :methyl 162:sc= -0.0984 (180deg=-0.487) USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= -0.0199 (180deg=-0.173) USER MOD Single : A 56 MET CE :methyl 136:sc= -0.355 (180deg=-0.934) USER MOD Single : A 58 LYS NZ :NH3+ -154:sc= -0.187 (180deg=-0.701) USER MOD Single : A 62 LYS NZ :NH3+ 170:sc= -0.0126 (180deg=-0.112) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -29.666 11.352 -42.580 1.00 20.00 N ATOM 2 CA MET A -7 -30.913 11.570 -41.813 1.00 20.00 C ATOM 3 C MET A -7 -31.969 10.538 -42.194 1.00 20.00 C ATOM 4 O MET A -7 -33.025 10.883 -42.727 1.00 20.00 O ATOM 5 CB MET A -7 -31.455 12.985 -42.059 1.00 20.00 C ATOM 6 CG MET A -7 -30.569 14.088 -41.502 1.00 20.00 C ATOM 7 SD MET A -7 -31.196 15.738 -41.869 1.00 20.00 S ATOM 8 CE MET A -7 -29.924 16.754 -41.122 1.00 20.00 C ATOM 0 H1 MET A -7 -28.846 11.503 -41.959 1.00 20.00 H new ATOM 0 H2 MET A -7 -29.649 10.379 -42.946 1.00 20.00 H new ATOM 0 H3 MET A -7 -29.626 12.021 -43.375 1.00 20.00 H new ATOM 0 HA MET A -7 -30.681 11.458 -40.754 1.00 20.00 H new ATOM 0 HB2 MET A -7 -31.576 13.136 -43.132 1.00 20.00 H new ATOM 0 HB3 MET A -7 -32.446 13.067 -41.612 1.00 20.00 H new ATOM 0 HG2 MET A -7 -30.483 13.969 -40.422 1.00 20.00 H new ATOM 0 HG3 MET A -7 -29.565 13.985 -41.915 1.00 20.00 H new ATOM 0 HE1 MET A -7 -30.168 17.807 -41.265 1.00 20.00 H new ATOM 0 HE2 MET A -7 -29.864 16.537 -40.056 1.00 20.00 H new ATOM 0 HE3 MET A -7 -28.964 16.538 -41.590 1.00 20.00 H new ATOM 20 N ASP A -6 -31.678 9.269 -41.932 1.00 20.00 N ATOM 21 CA ASP A -6 -32.627 8.193 -42.202 1.00 20.00 C ATOM 22 C ASP A -6 -32.711 7.251 -41.011 1.00 20.00 C ATOM 23 O ASP A -6 -33.586 7.387 -40.158 1.00 20.00 O ATOM 24 CB ASP A -6 -32.243 7.402 -43.462 1.00 20.00 C ATOM 25 CG ASP A -6 -32.419 8.192 -44.745 1.00 20.00 C ATOM 26 OD1 ASP A -6 -33.540 8.206 -45.293 1.00 20.00 O ATOM 27 OD2 ASP A -6 -31.432 8.793 -45.222 1.00 20.00 O ATOM 0 H ASP A -6 -30.792 8.959 -41.533 1.00 20.00 H new ATOM 0 HA ASP A -6 -33.601 8.651 -42.373 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -31.204 7.083 -43.380 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -32.850 6.498 -43.514 1.00 20.00 H new ATOM 32 N TYR A -5 -31.782 6.308 -40.947 1.00 20.00 N ATOM 33 CA TYR A -5 -31.712 5.370 -39.834 1.00 20.00 C ATOM 34 C TYR A -5 -30.321 4.747 -39.755 1.00 20.00 C ATOM 35 O TYR A -5 -30.060 3.704 -40.355 1.00 20.00 O ATOM 36 CB TYR A -5 -32.783 4.276 -39.978 1.00 20.00 C ATOM 37 CG TYR A -5 -32.829 3.301 -38.820 1.00 20.00 C ATOM 38 CD1 TYR A -5 -33.364 3.672 -37.592 1.00 20.00 C ATOM 39 CD2 TYR A -5 -32.339 2.007 -38.954 1.00 20.00 C ATOM 40 CE1 TYR A -5 -33.407 2.785 -36.533 1.00 20.00 C ATOM 41 CE2 TYR A -5 -32.379 1.115 -37.900 1.00 20.00 C ATOM 42 CZ TYR A -5 -32.914 1.508 -36.693 1.00 20.00 C ATOM 43 OH TYR A -5 -32.955 0.619 -35.638 1.00 20.00 O ATOM 0 H TYR A -5 -31.062 6.171 -41.657 1.00 20.00 H new ATOM 0 HA TYR A -5 -31.903 5.916 -38.910 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -33.760 4.749 -40.080 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -32.600 3.722 -40.899 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -33.753 4.671 -37.463 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -31.920 1.694 -39.899 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -33.825 3.091 -35.585 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -31.993 0.114 -38.022 1.00 20.00 H new ATOM 0 HH TYR A -5 -32.569 -0.238 -35.917 1.00 20.00 H new ATOM 53 N LYS A -4 -29.418 5.426 -39.058 1.00 20.00 N ATOM 54 CA LYS A -4 -28.075 4.908 -38.810 1.00 20.00 C ATOM 55 C LYS A -4 -27.362 5.768 -37.771 1.00 20.00 C ATOM 56 O LYS A -4 -26.748 6.785 -38.093 1.00 20.00 O ATOM 57 CB LYS A -4 -27.236 4.802 -40.103 1.00 20.00 C ATOM 58 CG LYS A -4 -27.100 6.092 -40.914 1.00 20.00 C ATOM 59 CD LYS A -4 -28.297 6.342 -41.826 1.00 20.00 C ATOM 60 CE LYS A -4 -28.267 5.478 -43.085 1.00 20.00 C ATOM 61 NZ LYS A -4 -28.390 4.022 -42.796 1.00 20.00 N ATOM 0 H LYS A -4 -29.592 6.345 -38.651 1.00 20.00 H new ATOM 0 HA LYS A -4 -28.183 3.895 -38.422 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -26.237 4.454 -39.839 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -27.681 4.039 -40.741 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -26.985 6.935 -40.232 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -26.193 6.044 -41.517 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -29.216 6.143 -41.275 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -28.318 7.394 -42.112 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -29.079 5.781 -43.746 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -27.335 5.659 -43.621 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -28.717 3.525 -43.649 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -27.464 3.646 -42.509 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -29.076 3.877 -42.027 1.00 20.00 H new ATOM 75 N ASP A -3 -27.475 5.366 -36.514 1.00 20.00 N ATOM 76 CA ASP A -3 -26.840 6.091 -35.418 1.00 20.00 C ATOM 77 C ASP A -3 -25.877 5.173 -34.677 1.00 20.00 C ATOM 78 O ASP A -3 -25.387 5.501 -33.594 1.00 20.00 O ATOM 79 CB ASP A -3 -27.893 6.633 -34.443 1.00 20.00 C ATOM 80 CG ASP A -3 -28.527 5.540 -33.604 1.00 20.00 C ATOM 81 OD1 ASP A -3 -29.181 4.644 -34.176 1.00 20.00 O ATOM 82 OD2 ASP A -3 -28.370 5.568 -32.364 1.00 20.00 O ATOM 0 H ASP A -3 -28.001 4.541 -36.225 1.00 20.00 H new ATOM 0 HA ASP A -3 -26.288 6.933 -35.837 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -27.430 7.368 -33.785 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -28.670 7.152 -35.004 1.00 20.00 H new ATOM 87 N ASP A -2 -25.599 4.030 -35.288 1.00 20.00 N ATOM 88 CA ASP A -2 -24.782 2.997 -34.665 1.00 20.00 C ATOM 89 C ASP A -2 -23.324 3.430 -34.614 1.00 20.00 C ATOM 90 O ASP A -2 -22.616 3.140 -33.646 1.00 20.00 O ATOM 91 CB ASP A -2 -24.916 1.690 -35.446 1.00 20.00 C ATOM 92 CG ASP A -2 -24.395 0.487 -34.687 1.00 20.00 C ATOM 93 OD1 ASP A -2 -25.144 -0.062 -33.853 1.00 20.00 O ATOM 94 OD2 ASP A -2 -23.253 0.061 -34.947 1.00 20.00 O ATOM 0 H ASP A -2 -25.931 3.793 -36.223 1.00 20.00 H new ATOM 0 HA ASP A -2 -25.131 2.841 -33.644 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -25.965 1.529 -35.695 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -24.375 1.780 -36.388 1.00 20.00 H new ATOM 99 N ASP A -1 -22.898 4.132 -35.669 1.00 20.00 N ATOM 100 CA ASP A -1 -21.535 4.668 -35.782 1.00 20.00 C ATOM 101 C ASP A -1 -20.525 3.535 -35.986 1.00 20.00 C ATOM 102 O ASP A -1 -20.786 2.383 -35.644 1.00 20.00 O ATOM 103 CB ASP A -1 -21.191 5.508 -34.540 1.00 20.00 C ATOM 104 CG ASP A -1 -19.793 6.093 -34.578 1.00 20.00 C ATOM 105 OD1 ASP A -1 -19.574 7.091 -35.297 1.00 20.00 O ATOM 106 OD2 ASP A -1 -18.908 5.562 -33.878 1.00 20.00 O ATOM 0 H ASP A -1 -23.490 4.346 -36.472 1.00 20.00 H new ATOM 0 HA ASP A -1 -21.483 5.318 -36.656 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -21.914 6.319 -34.447 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -21.293 4.886 -33.650 1.00 20.00 H new ATOM 111 N ASP A 0 -19.369 3.863 -36.559 1.00 20.00 N ATOM 112 CA ASP A 0 -18.340 2.861 -36.865 1.00 20.00 C ATOM 113 C ASP A 0 -17.746 2.256 -35.595 1.00 20.00 C ATOM 114 O ASP A 0 -16.947 1.320 -35.652 1.00 20.00 O ATOM 115 CB ASP A 0 -17.225 3.469 -37.722 1.00 20.00 C ATOM 116 CG ASP A 0 -17.663 3.736 -39.147 1.00 20.00 C ATOM 117 OD1 ASP A 0 -17.695 2.784 -39.954 1.00 20.00 O ATOM 118 OD2 ASP A 0 -17.975 4.900 -39.472 1.00 20.00 O ATOM 0 H ASP A 0 -19.117 4.816 -36.823 1.00 20.00 H new ATOM 0 HA ASP A 0 -18.826 2.063 -37.427 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -16.891 4.402 -37.268 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -16.369 2.794 -37.730 1.00 20.00 H new ATOM 123 N LYS A 1 -18.135 2.805 -34.457 1.00 20.00 N ATOM 124 CA LYS A 1 -17.712 2.300 -33.160 1.00 20.00 C ATOM 125 C LYS A 1 -18.711 1.256 -32.646 1.00 20.00 C ATOM 126 O LYS A 1 -18.482 0.622 -31.620 1.00 20.00 O ATOM 127 CB LYS A 1 -17.587 3.481 -32.196 1.00 20.00 C ATOM 128 CG LYS A 1 -17.164 3.122 -30.783 1.00 20.00 C ATOM 129 CD LYS A 1 -16.849 4.363 -29.950 1.00 20.00 C ATOM 130 CE LYS A 1 -17.993 5.379 -29.939 1.00 20.00 C ATOM 131 NZ LYS A 1 -18.015 6.237 -31.160 1.00 20.00 N ATOM 0 H LYS A 1 -18.754 3.614 -34.405 1.00 20.00 H new ATOM 0 HA LYS A 1 -16.744 1.806 -33.243 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -16.865 4.188 -32.605 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -18.547 3.995 -32.151 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -17.958 2.553 -30.300 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -16.286 2.477 -30.820 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -16.628 4.061 -28.926 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -15.951 4.839 -30.342 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -18.942 4.850 -29.855 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -17.902 6.013 -29.057 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -18.115 7.234 -30.882 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -17.128 6.112 -31.688 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -18.817 5.963 -31.762 1.00 20.00 H new ATOM 145 N ASN A 2 -19.803 1.069 -33.383 1.00 20.00 N ATOM 146 CA ASN A 2 -20.737 -0.043 -33.156 1.00 20.00 C ATOM 147 C ASN A 2 -21.162 -0.156 -31.686 1.00 20.00 C ATOM 148 O ASN A 2 -20.984 -1.203 -31.048 1.00 20.00 O ATOM 149 CB ASN A 2 -20.105 -1.358 -33.630 1.00 20.00 C ATOM 150 CG ASN A 2 -21.080 -2.526 -33.646 1.00 20.00 C ATOM 151 OD1 ASN A 2 -20.699 -3.664 -33.372 1.00 20.00 O ATOM 152 ND2 ASN A 2 -22.335 -2.264 -33.985 1.00 20.00 N ATOM 0 H ASN A 2 -20.070 1.680 -34.155 1.00 20.00 H new ATOM 0 HA ASN A 2 -21.638 0.161 -33.734 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -19.701 -1.218 -34.633 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -19.265 -1.604 -32.980 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -23.021 -3.018 -34.025 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -22.615 -1.308 -34.206 1.00 20.00 H new ATOM 159 N ARG A 3 -21.690 0.951 -31.160 1.00 20.00 N ATOM 160 CA ARG A 3 -22.279 1.012 -29.814 1.00 20.00 C ATOM 161 C ARG A 3 -21.240 0.802 -28.709 1.00 20.00 C ATOM 162 O ARG A 3 -21.594 0.722 -27.531 1.00 20.00 O ATOM 163 CB ARG A 3 -23.406 -0.019 -29.657 1.00 20.00 C ATOM 164 CG ARG A 3 -24.483 0.059 -30.729 1.00 20.00 C ATOM 165 CD ARG A 3 -25.240 1.381 -30.700 1.00 20.00 C ATOM 166 NE ARG A 3 -26.233 1.446 -31.772 1.00 20.00 N ATOM 167 CZ ARG A 3 -27.052 2.478 -31.988 1.00 20.00 C ATOM 168 NH1 ARG A 3 -27.016 3.544 -31.196 1.00 20.00 N ATOM 169 NH2 ARG A 3 -27.914 2.437 -32.998 1.00 20.00 N ATOM 0 H ARG A 3 -21.723 1.840 -31.658 1.00 20.00 H new ATOM 0 HA ARG A 3 -22.687 2.017 -29.706 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -22.972 -1.019 -29.668 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -23.872 0.116 -28.681 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -24.025 -0.073 -31.710 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -25.187 -0.762 -30.593 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -25.734 1.499 -29.736 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -24.537 2.208 -30.801 1.00 20.00 H new ATOM 0 HE ARG A 3 -26.305 0.645 -32.400 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -26.359 3.578 -30.416 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -27.645 4.328 -31.368 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -27.949 1.619 -33.606 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -28.541 3.224 -33.166 1.00 20.00 H new ATOM 183 N ALA A 4 -19.965 0.746 -29.075 1.00 20.00 N ATOM 184 CA ALA A 4 -18.905 0.482 -28.105 1.00 20.00 C ATOM 185 C ALA A 4 -18.498 1.750 -27.363 1.00 20.00 C ATOM 186 O ALA A 4 -17.320 2.091 -27.285 1.00 20.00 O ATOM 187 CB ALA A 4 -17.696 -0.147 -28.784 1.00 20.00 C ATOM 0 H ALA A 4 -19.639 0.879 -30.032 1.00 20.00 H new ATOM 0 HA ALA A 4 -19.299 -0.222 -27.373 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -16.919 -0.335 -28.043 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -17.989 -1.088 -29.249 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -17.313 0.531 -29.547 1.00 20.00 H new ATOM 193 N LEU A 5 -19.482 2.449 -26.827 1.00 20.00 N ATOM 194 CA LEU A 5 -19.228 3.630 -26.024 1.00 20.00 C ATOM 195 C LEU A 5 -19.850 3.437 -24.647 1.00 20.00 C ATOM 196 O LEU A 5 -19.954 4.366 -23.846 1.00 20.00 O ATOM 197 CB LEU A 5 -19.787 4.875 -26.723 1.00 20.00 C ATOM 198 CG LEU A 5 -19.394 6.224 -26.104 1.00 20.00 C ATOM 199 CD1 LEU A 5 -17.879 6.381 -26.037 1.00 20.00 C ATOM 200 CD2 LEU A 5 -20.008 7.368 -26.897 1.00 20.00 C ATOM 0 H LEU A 5 -20.469 2.217 -26.935 1.00 20.00 H new ATOM 0 HA LEU A 5 -18.154 3.776 -25.905 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -19.457 4.864 -27.762 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -20.875 4.805 -26.733 1.00 20.00 H new ATOM 0 HG LEU A 5 -19.781 6.251 -25.085 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -17.632 7.346 -25.594 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -17.457 5.583 -25.426 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -17.463 6.326 -27.043 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -19.721 8.318 -26.447 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -19.650 7.331 -27.926 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -21.094 7.276 -26.888 1.00 20.00 H new ATOM 212 N SER A 6 -20.259 2.207 -24.387 1.00 20.00 N ATOM 213 CA SER A 6 -20.820 1.834 -23.105 1.00 20.00 C ATOM 214 C SER A 6 -19.710 1.359 -22.165 1.00 20.00 C ATOM 215 O SER A 6 -19.057 0.344 -22.421 1.00 20.00 O ATOM 216 CB SER A 6 -21.868 0.741 -23.310 1.00 20.00 C ATOM 217 OG SER A 6 -21.414 -0.224 -24.246 1.00 20.00 O ATOM 0 H SER A 6 -20.211 1.442 -25.059 1.00 20.00 H new ATOM 0 HA SER A 6 -21.301 2.699 -22.649 1.00 20.00 H new ATOM 0 HB2 SER A 6 -22.086 0.257 -22.358 1.00 20.00 H new ATOM 0 HB3 SER A 6 -22.799 1.185 -23.662 1.00 20.00 H new ATOM 0 HG SER A 6 -20.478 -0.445 -24.060 1.00 20.00 H new ATOM 223 N PRO A 7 -19.465 2.102 -21.076 1.00 20.00 N ATOM 224 CA PRO A 7 -18.374 1.797 -20.146 1.00 20.00 C ATOM 225 C PRO A 7 -18.647 0.569 -19.279 1.00 20.00 C ATOM 226 O PRO A 7 -17.713 -0.026 -18.738 1.00 20.00 O ATOM 227 CB PRO A 7 -18.284 3.055 -19.280 1.00 20.00 C ATOM 228 CG PRO A 7 -19.651 3.651 -19.324 1.00 20.00 C ATOM 229 CD PRO A 7 -20.220 3.307 -20.676 1.00 20.00 C ATOM 0 HA PRO A 7 -17.453 1.556 -20.678 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -17.992 2.811 -18.258 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -17.538 3.749 -19.668 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -20.276 3.250 -18.526 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -19.609 4.731 -19.183 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -21.291 3.109 -20.622 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -20.082 4.121 -21.388 1.00 20.00 H new ATOM 237 N MET A 8 -19.920 0.189 -19.166 1.00 20.00 N ATOM 238 CA MET A 8 -20.333 -0.921 -18.308 1.00 20.00 C ATOM 239 C MET A 8 -19.928 -0.627 -16.865 1.00 20.00 C ATOM 240 O MET A 8 -19.151 -1.357 -16.246 1.00 20.00 O ATOM 241 CB MET A 8 -19.729 -2.248 -18.791 1.00 20.00 C ATOM 242 CG MET A 8 -20.258 -3.466 -18.049 1.00 20.00 C ATOM 243 SD MET A 8 -19.497 -5.008 -18.597 1.00 20.00 S ATOM 244 CE MET A 8 -20.323 -6.180 -17.525 1.00 20.00 C ATOM 0 H MET A 8 -20.689 0.639 -19.663 1.00 20.00 H new ATOM 0 HA MET A 8 -21.417 -1.022 -18.358 1.00 20.00 H new ATOM 0 HB2 MET A 8 -19.934 -2.364 -19.855 1.00 20.00 H new ATOM 0 HB3 MET A 8 -18.646 -2.207 -18.678 1.00 20.00 H new ATOM 0 HG2 MET A 8 -20.082 -3.339 -16.981 1.00 20.00 H new ATOM 0 HG3 MET A 8 -21.337 -3.530 -18.189 1.00 20.00 H new ATOM 0 HE1 MET A 8 -19.962 -7.186 -17.739 1.00 20.00 H new ATOM 0 HE2 MET A 8 -20.112 -5.933 -16.485 1.00 20.00 H new ATOM 0 HE3 MET A 8 -21.398 -6.136 -17.698 1.00 20.00 H new ATOM 254 N VAL A 9 -20.455 0.468 -16.340 1.00 20.00 N ATOM 255 CA VAL A 9 -20.096 0.925 -15.007 1.00 20.00 C ATOM 256 C VAL A 9 -20.877 0.167 -13.933 1.00 20.00 C ATOM 257 O VAL A 9 -22.087 -0.045 -14.052 1.00 20.00 O ATOM 258 CB VAL A 9 -20.322 2.453 -14.856 1.00 20.00 C ATOM 259 CG1 VAL A 9 -21.793 2.815 -15.009 1.00 20.00 C ATOM 260 CG2 VAL A 9 -19.779 2.961 -13.529 1.00 20.00 C ATOM 0 H VAL A 9 -21.135 1.058 -16.819 1.00 20.00 H new ATOM 0 HA VAL A 9 -19.034 0.720 -14.870 1.00 20.00 H new ATOM 0 HB VAL A 9 -19.771 2.944 -15.658 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -21.916 3.892 -14.898 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -22.142 2.510 -15.995 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -22.375 2.302 -14.243 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -19.952 4.034 -13.452 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -20.286 2.452 -12.709 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -18.709 2.761 -13.473 1.00 20.00 H new ATOM 270 N SER A 10 -20.167 -0.271 -12.904 1.00 20.00 N ATOM 271 CA SER A 10 -20.784 -0.938 -11.770 1.00 20.00 C ATOM 272 C SER A 10 -20.202 -0.400 -10.467 1.00 20.00 C ATOM 273 O SER A 10 -19.877 -1.155 -9.548 1.00 20.00 O ATOM 274 CB SER A 10 -20.575 -2.450 -11.880 1.00 20.00 C ATOM 275 OG SER A 10 -19.217 -2.762 -12.149 1.00 20.00 O ATOM 0 H SER A 10 -19.154 -0.175 -12.832 1.00 20.00 H new ATOM 0 HA SER A 10 -21.855 -0.738 -11.772 1.00 20.00 H new ATOM 0 HB2 SER A 10 -20.884 -2.931 -10.952 1.00 20.00 H new ATOM 0 HB3 SER A 10 -21.207 -2.850 -12.673 1.00 20.00 H new ATOM 0 HG SER A 10 -19.111 -3.734 -12.213 1.00 20.00 H new ATOM 281 N GLU A 11 -20.081 0.918 -10.398 1.00 20.00 N ATOM 282 CA GLU A 11 -19.442 1.571 -9.264 1.00 20.00 C ATOM 283 C GLU A 11 -20.473 2.114 -8.287 1.00 20.00 C ATOM 284 O GLU A 11 -20.135 2.502 -7.166 1.00 20.00 O ATOM 285 CB GLU A 11 -18.541 2.705 -9.747 1.00 20.00 C ATOM 286 CG GLU A 11 -17.392 2.235 -10.616 1.00 20.00 C ATOM 287 CD GLU A 11 -16.549 1.178 -9.938 1.00 20.00 C ATOM 288 OE1 GLU A 11 -15.930 1.481 -8.897 1.00 20.00 O ATOM 289 OE2 GLU A 11 -16.490 0.041 -10.453 1.00 20.00 O ATOM 0 H GLU A 11 -20.418 1.558 -11.117 1.00 20.00 H new ATOM 0 HA GLU A 11 -18.839 0.825 -8.746 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -19.141 3.422 -10.308 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -18.140 3.233 -8.882 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -17.787 1.836 -11.551 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -16.763 3.087 -10.873 1.00 20.00 H new ATOM 296 N PHE A 12 -21.725 2.152 -8.716 1.00 20.00 N ATOM 297 CA PHE A 12 -22.801 2.632 -7.867 1.00 20.00 C ATOM 298 C PHE A 12 -22.970 1.699 -6.673 1.00 20.00 C ATOM 299 O PHE A 12 -23.328 0.531 -6.830 1.00 20.00 O ATOM 300 CB PHE A 12 -24.107 2.733 -8.653 1.00 20.00 C ATOM 301 CG PHE A 12 -25.199 3.463 -7.917 1.00 20.00 C ATOM 302 CD1 PHE A 12 -25.121 4.835 -7.727 1.00 20.00 C ATOM 303 CD2 PHE A 12 -26.302 2.785 -7.418 1.00 20.00 C ATOM 304 CE1 PHE A 12 -26.118 5.514 -7.056 1.00 20.00 C ATOM 305 CE2 PHE A 12 -27.301 3.461 -6.746 1.00 20.00 C ATOM 306 CZ PHE A 12 -27.209 4.826 -6.564 1.00 20.00 C ATOM 0 H PHE A 12 -22.020 1.856 -9.647 1.00 20.00 H new ATOM 0 HA PHE A 12 -22.545 3.629 -7.508 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -23.914 3.242 -9.598 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -24.453 1.729 -8.897 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -24.270 5.379 -8.109 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -26.380 1.717 -7.557 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -26.045 6.582 -6.916 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -28.155 2.922 -6.363 1.00 20.00 H new ATOM 0 HZ PHE A 12 -27.989 5.355 -6.037 1.00 20.00 H new ATOM 316 N GLU A 13 -22.691 2.214 -5.490 1.00 20.00 N ATOM 317 CA GLU A 13 -22.749 1.425 -4.274 1.00 20.00 C ATOM 318 C GLU A 13 -23.117 2.321 -3.097 1.00 20.00 C ATOM 319 O GLU A 13 -22.245 2.829 -2.395 1.00 20.00 O ATOM 320 CB GLU A 13 -21.397 0.756 -4.019 1.00 20.00 C ATOM 321 CG GLU A 13 -21.407 -0.210 -2.848 1.00 20.00 C ATOM 322 CD GLU A 13 -20.016 -0.639 -2.432 1.00 20.00 C ATOM 323 OE1 GLU A 13 -19.440 -1.533 -3.083 1.00 20.00 O ATOM 324 OE2 GLU A 13 -19.493 -0.082 -1.444 1.00 20.00 O ATOM 0 H GLU A 13 -22.419 3.186 -5.345 1.00 20.00 H new ATOM 0 HA GLU A 13 -23.509 0.652 -4.386 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -21.091 0.221 -4.918 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -20.648 1.527 -3.837 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -21.907 0.258 -2.000 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -21.990 -1.092 -3.115 1.00 20.00 H new ATOM 331 N THR A 14 -24.405 2.521 -2.896 1.00 20.00 N ATOM 332 CA THR A 14 -24.892 3.372 -1.823 1.00 20.00 C ATOM 333 C THR A 14 -26.247 2.894 -1.316 1.00 20.00 C ATOM 334 O THR A 14 -27.153 2.616 -2.108 1.00 20.00 O ATOM 335 CB THR A 14 -24.997 4.841 -2.270 1.00 20.00 C ATOM 336 OG1 THR A 14 -25.403 4.909 -3.644 1.00 20.00 O ATOM 337 CG2 THR A 14 -23.673 5.562 -2.088 1.00 20.00 C ATOM 0 H THR A 14 -25.140 2.103 -3.466 1.00 20.00 H new ATOM 0 HA THR A 14 -24.167 3.308 -1.012 1.00 20.00 H new ATOM 0 HB THR A 14 -25.744 5.333 -1.647 1.00 20.00 H new ATOM 0 HG1 THR A 14 -25.469 5.847 -3.920 1.00 20.00 H new ATOM 0 HG21 THR A 14 -23.775 6.598 -2.411 1.00 20.00 H new ATOM 0 HG22 THR A 14 -23.386 5.537 -1.037 1.00 20.00 H new ATOM 0 HG23 THR A 14 -22.905 5.070 -2.685 1.00 20.00 H new ATOM 345 N ILE A 15 -26.360 2.774 0.008 1.00 20.00 N ATOM 346 CA ILE A 15 -27.606 2.388 0.679 1.00 20.00 C ATOM 347 C ILE A 15 -27.881 0.883 0.576 1.00 20.00 C ATOM 348 O ILE A 15 -28.166 0.232 1.582 1.00 20.00 O ATOM 349 CB ILE A 15 -28.823 3.176 0.135 1.00 20.00 C ATOM 350 CG1 ILE A 15 -28.636 4.685 0.344 1.00 20.00 C ATOM 351 CG2 ILE A 15 -30.111 2.703 0.793 1.00 20.00 C ATOM 352 CD1 ILE A 15 -28.531 5.108 1.796 1.00 20.00 C ATOM 0 H ILE A 15 -25.586 2.943 0.650 1.00 20.00 H new ATOM 0 HA ILE A 15 -27.467 2.639 1.730 1.00 20.00 H new ATOM 0 HB ILE A 15 -28.894 2.986 -0.936 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -27.735 5.003 -0.180 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -29.474 5.210 -0.115 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -30.952 3.271 0.395 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -30.258 1.643 0.585 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -30.047 2.856 1.870 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -28.401 6.189 1.852 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -29.441 4.825 2.324 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -27.675 4.615 2.258 1.00 20.00 H new ATOM 364 N GLU A 16 -27.777 0.330 -0.628 1.00 20.00 N ATOM 365 CA GLU A 16 -28.148 -1.062 -0.863 1.00 20.00 C ATOM 366 C GLU A 16 -27.303 -2.024 -0.026 1.00 20.00 C ATOM 367 O GLU A 16 -27.816 -3.013 0.491 1.00 20.00 O ATOM 368 CB GLU A 16 -28.055 -1.424 -2.358 1.00 20.00 C ATOM 369 CG GLU A 16 -26.642 -1.610 -2.898 1.00 20.00 C ATOM 370 CD GLU A 16 -25.830 -0.337 -2.902 1.00 20.00 C ATOM 371 OE1 GLU A 16 -25.899 0.410 -3.903 1.00 20.00 O ATOM 372 OE2 GLU A 16 -25.122 -0.079 -1.908 1.00 20.00 O ATOM 0 H GLU A 16 -27.440 0.823 -1.455 1.00 20.00 H new ATOM 0 HA GLU A 16 -29.186 -1.170 -0.549 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -28.615 -2.344 -2.527 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -28.546 -0.641 -2.935 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -26.127 -2.359 -2.297 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -26.698 -2.000 -3.914 1.00 20.00 H new ATOM 379 N GLN A 17 -26.022 -1.717 0.135 1.00 20.00 N ATOM 380 CA GLN A 17 -25.103 -2.608 0.838 1.00 20.00 C ATOM 381 C GLN A 17 -25.433 -2.715 2.322 1.00 20.00 C ATOM 382 O GLN A 17 -24.961 -3.628 2.999 1.00 20.00 O ATOM 383 CB GLN A 17 -23.657 -2.156 0.654 1.00 20.00 C ATOM 384 CG GLN A 17 -23.134 -2.379 -0.754 1.00 20.00 C ATOM 385 CD GLN A 17 -23.067 -3.850 -1.115 1.00 20.00 C ATOM 386 OE1 GLN A 17 -24.022 -4.421 -1.642 1.00 20.00 O ATOM 387 NE2 GLN A 17 -21.940 -4.479 -0.828 1.00 20.00 N ATOM 0 H GLN A 17 -25.594 -0.858 -0.211 1.00 20.00 H new ATOM 0 HA GLN A 17 -25.223 -3.598 0.398 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -23.580 -1.097 0.899 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -23.023 -2.693 1.359 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -23.778 -1.861 -1.465 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -22.141 -1.939 -0.845 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -21.170 -3.972 -0.391 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -21.840 -5.471 -1.043 1.00 20.00 H new ATOM 396 N GLU A 18 -26.244 -1.797 2.825 1.00 20.00 N ATOM 397 CA GLU A 18 -26.663 -1.845 4.218 1.00 20.00 C ATOM 398 C GLU A 18 -27.564 -3.058 4.445 1.00 20.00 C ATOM 399 O GLU A 18 -27.355 -3.839 5.374 1.00 20.00 O ATOM 400 CB GLU A 18 -27.387 -0.550 4.609 1.00 20.00 C ATOM 401 CG GLU A 18 -27.871 -0.525 6.050 1.00 20.00 C ATOM 402 CD GLU A 18 -28.557 0.775 6.409 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.862 1.721 6.834 1.00 20.00 O ATOM 404 OE2 GLU A 18 -29.795 0.862 6.264 1.00 20.00 O ATOM 0 H GLU A 18 -26.624 -1.014 2.293 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.780 -1.940 4.850 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.715 0.293 4.447 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.241 -0.409 3.947 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -28.561 -1.353 6.212 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -27.023 -0.681 6.717 1.00 20.00 H new ATOM 411 N ASN A 19 -28.538 -3.232 3.562 1.00 20.00 N ATOM 412 CA ASN A 19 -29.456 -4.361 3.654 1.00 20.00 C ATOM 413 C ASN A 19 -28.884 -5.585 2.950 1.00 20.00 C ATOM 414 O ASN A 19 -29.164 -6.719 3.335 1.00 20.00 O ATOM 415 CB ASN A 19 -30.831 -4.006 3.071 1.00 20.00 C ATOM 416 CG ASN A 19 -30.752 -3.404 1.680 1.00 20.00 C ATOM 417 OD1 ASN A 19 -30.720 -4.120 0.678 1.00 20.00 O ATOM 418 ND2 ASN A 19 -30.733 -2.080 1.608 1.00 20.00 N ATOM 0 H ASN A 19 -28.713 -2.607 2.775 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.584 -4.597 4.710 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.447 -4.904 3.037 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.330 -3.302 3.737 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -30.691 -1.619 0.699 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -30.761 -1.522 2.462 1.00 20.00 H new ATOM 425 N SER A 20 -28.065 -5.358 1.928 1.00 20.00 N ATOM 426 CA SER A 20 -27.456 -6.459 1.190 1.00 20.00 C ATOM 427 C SER A 20 -26.399 -7.164 2.034 1.00 20.00 C ATOM 428 O SER A 20 -26.002 -8.286 1.728 1.00 20.00 O ATOM 429 CB SER A 20 -26.844 -5.966 -0.123 1.00 20.00 C ATOM 430 OG SER A 20 -27.798 -5.248 -0.885 1.00 20.00 O ATOM 0 H SER A 20 -27.809 -4.429 1.594 1.00 20.00 H new ATOM 0 HA SER A 20 -28.243 -7.176 0.955 1.00 20.00 H new ATOM 0 HB2 SER A 20 -25.986 -5.328 0.088 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.476 -6.815 -0.699 1.00 20.00 H new ATOM 0 HG SER A 20 -28.083 -4.454 -0.387 1.00 20.00 H new ATOM 436 N TYR A 21 -25.946 -6.508 3.099 1.00 20.00 N ATOM 437 CA TYR A 21 -25.023 -7.135 4.034 1.00 20.00 C ATOM 438 C TYR A 21 -25.724 -8.282 4.750 1.00 20.00 C ATOM 439 O TYR A 21 -25.129 -9.327 5.000 1.00 20.00 O ATOM 440 CB TYR A 21 -24.490 -6.117 5.051 1.00 20.00 C ATOM 441 CG TYR A 21 -23.480 -6.702 6.018 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.189 -7.004 5.603 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.818 -6.959 7.344 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.264 -7.544 6.477 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.897 -7.497 8.225 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.622 -7.787 7.786 1.00 20.00 C ATOM 447 OH TYR A 21 -20.704 -8.325 8.660 1.00 20.00 O ATOM 0 H TYR A 21 -26.202 -5.549 3.333 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.172 -7.524 3.475 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.030 -5.287 4.515 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -25.327 -5.707 5.616 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.903 -6.813 4.579 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.816 -6.735 7.691 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.266 -7.774 6.136 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -23.175 -7.689 9.251 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.116 -8.432 9.543 1.00 20.00 H new ATOM 457 N ASN A 22 -27.000 -8.079 5.054 1.00 20.00 N ATOM 458 CA ASN A 22 -27.826 -9.120 5.659 1.00 20.00 C ATOM 459 C ASN A 22 -27.913 -10.316 4.717 1.00 20.00 C ATOM 460 O ASN A 22 -27.766 -11.464 5.136 1.00 20.00 O ATOM 461 CB ASN A 22 -29.227 -8.567 5.966 1.00 20.00 C ATOM 462 CG ASN A 22 -30.205 -9.613 6.481 1.00 20.00 C ATOM 463 OD1 ASN A 22 -31.405 -9.529 6.217 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.718 -10.589 7.235 1.00 20.00 N ATOM 0 H ASN A 22 -27.489 -7.199 4.891 1.00 20.00 H new ATOM 0 HA ASN A 22 -27.373 -9.445 6.596 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -29.138 -7.771 6.706 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.635 -8.117 5.061 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -30.343 -11.300 7.616 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -28.718 -10.629 7.434 1.00 20.00 H new ATOM 471 N GLU A 23 -28.117 -10.030 3.438 1.00 20.00 N ATOM 472 CA GLU A 23 -28.168 -11.069 2.418 1.00 20.00 C ATOM 473 C GLU A 23 -26.820 -11.773 2.293 1.00 20.00 C ATOM 474 O GLU A 23 -26.739 -12.994 2.413 1.00 20.00 O ATOM 475 CB GLU A 23 -28.568 -10.470 1.065 1.00 20.00 C ATOM 476 CG GLU A 23 -30.019 -10.029 0.990 1.00 20.00 C ATOM 477 CD GLU A 23 -30.981 -11.194 1.090 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.048 -11.997 0.137 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.666 -11.320 2.120 1.00 20.00 O ATOM 0 H GLU A 23 -28.250 -9.084 3.081 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.917 -11.801 2.719 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -27.927 -9.614 0.855 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.382 -11.207 0.284 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.223 -9.322 1.794 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.188 -9.501 0.051 1.00 20.00 H new ATOM 486 N TRP A 24 -25.768 -10.990 2.082 1.00 20.00 N ATOM 487 CA TRP A 24 -24.431 -11.528 1.852 1.00 20.00 C ATOM 488 C TRP A 24 -23.933 -12.331 3.052 1.00 20.00 C ATOM 489 O TRP A 24 -23.294 -13.368 2.885 1.00 20.00 O ATOM 490 CB TRP A 24 -23.450 -10.394 1.531 1.00 20.00 C ATOM 491 CG TRP A 24 -22.070 -10.873 1.190 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.680 -11.492 0.040 1.00 20.00 C ATOM 493 CD2 TRP A 24 -20.896 -10.765 2.004 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.338 -11.778 0.086 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.835 -11.344 1.282 1.00 20.00 C ATOM 496 CE3 TRP A 24 -20.637 -10.237 3.274 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -18.538 -11.409 1.787 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -19.351 -10.303 3.772 1.00 20.00 C ATOM 499 CH2 TRP A 24 -18.316 -10.884 3.029 1.00 20.00 C ATOM 0 H TRP A 24 -25.816 -9.971 2.065 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.489 -12.205 0.999 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.840 -9.812 0.696 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.391 -9.722 2.387 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -22.333 -11.724 -0.788 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.804 -12.239 -0.651 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.429 -9.786 3.854 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.737 -11.858 1.218 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -19.140 -9.900 4.751 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -17.321 -10.918 3.447 1.00 20.00 H new ATOM 510 N LEU A 25 -24.244 -11.862 4.254 1.00 20.00 N ATOM 511 CA LEU A 25 -23.772 -12.506 5.474 1.00 20.00 C ATOM 512 C LEU A 25 -24.285 -13.940 5.569 1.00 20.00 C ATOM 513 O LEU A 25 -23.529 -14.859 5.882 1.00 20.00 O ATOM 514 CB LEU A 25 -24.203 -11.702 6.705 1.00 20.00 C ATOM 515 CG LEU A 25 -23.651 -12.196 8.047 1.00 20.00 C ATOM 516 CD1 LEU A 25 -22.130 -12.181 8.043 1.00 20.00 C ATOM 517 CD2 LEU A 25 -24.185 -11.341 9.188 1.00 20.00 C ATOM 0 H LEU A 25 -24.822 -11.036 4.411 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.683 -12.537 5.440 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.895 -10.666 6.566 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -25.292 -11.707 6.757 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.983 -13.223 8.195 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.760 -12.535 9.005 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.762 -12.832 7.250 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.777 -11.164 7.871 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -23.784 -11.705 10.134 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.881 -10.305 9.039 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -25.273 -11.400 9.209 1.00 20.00 H new ATOM 529 N ARG A 26 -25.562 -14.138 5.273 1.00 20.00 N ATOM 530 CA ARG A 26 -26.142 -15.473 5.321 1.00 20.00 C ATOM 531 C ARG A 26 -25.923 -16.214 4.004 1.00 20.00 C ATOM 532 O ARG A 26 -26.163 -17.418 3.906 1.00 20.00 O ATOM 533 CB ARG A 26 -27.630 -15.416 5.683 1.00 20.00 C ATOM 534 CG ARG A 26 -28.465 -14.498 4.805 1.00 20.00 C ATOM 535 CD ARG A 26 -29.902 -14.442 5.301 1.00 20.00 C ATOM 536 NE ARG A 26 -30.698 -13.419 4.625 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.711 -12.772 5.206 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.027 -13.029 6.469 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.399 -11.864 4.530 1.00 20.00 N ATOM 0 H ARG A 26 -26.211 -13.400 5.000 1.00 20.00 H new ATOM 0 HA ARG A 26 -25.631 -16.031 6.106 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.042 -16.423 5.626 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.725 -15.090 6.719 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.035 -13.496 4.805 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.444 -14.853 3.775 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.370 -15.415 5.154 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.904 -14.247 6.373 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.467 -13.187 3.659 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.496 -13.721 6.997 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.801 -12.534 6.912 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -32.156 -11.657 3.561 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.172 -11.372 4.978 1.00 20.00 H new ATOM 553 N ALA A 27 -25.450 -15.491 2.998 1.00 20.00 N ATOM 554 CA ALA A 27 -25.119 -16.089 1.711 1.00 20.00 C ATOM 555 C ALA A 27 -23.684 -16.596 1.703 1.00 20.00 C ATOM 556 O ALA A 27 -23.249 -17.244 0.753 1.00 20.00 O ATOM 557 CB ALA A 27 -25.321 -15.090 0.587 1.00 20.00 C ATOM 0 H ALA A 27 -25.286 -14.486 3.049 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.789 -16.935 1.553 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -25.068 -15.557 -0.365 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.362 -14.769 0.568 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.678 -14.225 0.749 1.00 20.00 H new ATOM 563 N LYS A 28 -22.953 -16.305 2.774 1.00 20.00 N ATOM 564 CA LYS A 28 -21.567 -16.752 2.905 1.00 20.00 C ATOM 565 C LYS A 28 -21.487 -18.273 2.998 1.00 20.00 C ATOM 566 O LYS A 28 -20.427 -18.861 2.789 1.00 20.00 O ATOM 567 CB LYS A 28 -20.903 -16.121 4.132 1.00 20.00 C ATOM 568 CG LYS A 28 -20.593 -14.636 3.981 1.00 20.00 C ATOM 569 CD LYS A 28 -20.025 -14.048 5.265 1.00 20.00 C ATOM 570 CE LYS A 28 -18.708 -14.704 5.664 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.638 -14.466 4.661 1.00 20.00 N ATOM 0 H LYS A 28 -23.296 -15.761 3.566 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.033 -16.429 2.011 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.555 -16.259 4.995 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -19.976 -16.654 4.344 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.880 -14.493 3.169 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.502 -14.100 3.706 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.871 -12.977 5.135 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.749 -14.171 6.070 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.389 -14.317 6.632 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.860 -15.777 5.784 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.727 -14.795 5.040 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.858 -14.987 3.788 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.578 -13.449 4.452 1.00 20.00 H new ATOM 585 N VAL A 29 -22.612 -18.903 3.315 1.00 20.00 N ATOM 586 CA VAL A 29 -22.680 -20.356 3.392 1.00 20.00 C ATOM 587 C VAL A 29 -22.839 -20.956 1.994 1.00 20.00 C ATOM 588 O VAL A 29 -22.570 -22.137 1.770 1.00 20.00 O ATOM 589 CB VAL A 29 -23.847 -20.817 4.300 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.196 -20.539 3.653 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.710 -22.289 4.656 1.00 20.00 C ATOM 0 H VAL A 29 -23.491 -18.429 3.523 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.747 -20.710 3.830 1.00 20.00 H new ATOM 0 HB VAL A 29 -23.796 -20.238 5.222 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.994 -20.874 4.316 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.300 -19.469 3.473 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.262 -21.074 2.706 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.542 -22.588 5.294 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.719 -22.886 3.744 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.771 -22.449 5.185 1.00 20.00 H new ATOM 601 N ALA A 30 -23.250 -20.124 1.049 1.00 20.00 N ATOM 602 CA ALA A 30 -23.482 -20.570 -0.313 1.00 20.00 C ATOM 603 C ALA A 30 -22.188 -20.520 -1.112 1.00 20.00 C ATOM 604 O ALA A 30 -21.976 -19.623 -1.930 1.00 20.00 O ATOM 605 CB ALA A 30 -24.558 -19.726 -0.974 1.00 20.00 C ATOM 0 H ALA A 30 -23.430 -19.132 1.203 1.00 20.00 H new ATOM 0 HA ALA A 30 -23.830 -21.603 -0.287 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -24.718 -20.075 -1.994 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -25.487 -19.814 -0.410 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -24.242 -18.683 -0.993 1.00 20.00 H new ATOM 611 N THR A 31 -21.317 -21.477 -0.846 1.00 20.00 N ATOM 612 CA THR A 31 -20.048 -21.571 -1.543 1.00 20.00 C ATOM 613 C THR A 31 -19.821 -23.005 -2.021 1.00 20.00 C ATOM 614 O THR A 31 -18.687 -23.440 -2.240 1.00 20.00 O ATOM 615 CB THR A 31 -18.877 -21.107 -0.644 1.00 20.00 C ATOM 616 OG1 THR A 31 -17.642 -21.150 -1.369 1.00 20.00 O ATOM 617 CG2 THR A 31 -18.768 -21.968 0.604 1.00 20.00 C ATOM 0 H THR A 31 -21.468 -22.205 -0.147 1.00 20.00 H new ATOM 0 HA THR A 31 -20.083 -20.908 -2.408 1.00 20.00 H new ATOM 0 HB THR A 31 -19.080 -20.080 -0.339 1.00 20.00 H new ATOM 0 HG1 THR A 31 -17.572 -22.003 -1.846 1.00 20.00 H new ATOM 0 HG21 THR A 31 -17.937 -21.618 1.216 1.00 20.00 H new ATOM 0 HG22 THR A 31 -19.694 -21.899 1.176 1.00 20.00 H new ATOM 0 HG23 THR A 31 -18.596 -23.005 0.317 1.00 20.00 H new ATOM 625 N SER A 32 -20.916 -23.726 -2.202 1.00 20.00 N ATOM 626 CA SER A 32 -20.859 -25.125 -2.604 1.00 20.00 C ATOM 627 C SER A 32 -20.650 -25.249 -4.111 1.00 20.00 C ATOM 628 O SER A 32 -20.284 -26.313 -4.611 1.00 20.00 O ATOM 629 CB SER A 32 -22.145 -25.838 -2.183 1.00 20.00 C ATOM 630 OG SER A 32 -22.431 -25.586 -0.816 1.00 20.00 O ATOM 0 H SER A 32 -21.861 -23.364 -2.076 1.00 20.00 H new ATOM 0 HA SER A 32 -20.011 -25.596 -2.107 1.00 20.00 H new ATOM 0 HB2 SER A 32 -22.975 -25.498 -2.802 1.00 20.00 H new ATOM 0 HB3 SER A 32 -22.043 -26.911 -2.347 1.00 20.00 H new ATOM 0 HG SER A 32 -23.258 -26.048 -0.564 1.00 20.00 H new ATOM 636 N LEU A 33 -20.877 -24.153 -4.827 1.00 20.00 N ATOM 637 CA LEU A 33 -20.678 -24.124 -6.270 1.00 20.00 C ATOM 638 C LEU A 33 -19.185 -24.127 -6.592 1.00 20.00 C ATOM 639 O LEU A 33 -18.759 -24.629 -7.634 1.00 20.00 O ATOM 640 CB LEU A 33 -21.362 -22.896 -6.883 1.00 20.00 C ATOM 641 CG LEU A 33 -21.339 -22.821 -8.412 1.00 20.00 C ATOM 642 CD1 LEU A 33 -22.099 -23.987 -9.029 1.00 20.00 C ATOM 643 CD2 LEU A 33 -21.920 -21.500 -8.889 1.00 20.00 C ATOM 0 H LEU A 33 -21.200 -23.271 -4.429 1.00 20.00 H new ATOM 0 HA LEU A 33 -21.130 -25.016 -6.705 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -22.400 -22.877 -6.552 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -20.885 -22.000 -6.486 1.00 20.00 H new ATOM 0 HG LEU A 33 -20.300 -22.884 -8.736 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -22.066 -23.908 -10.116 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -21.639 -24.926 -8.719 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -23.136 -23.963 -8.695 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -21.896 -21.464 -9.978 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -22.951 -21.411 -8.546 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -21.331 -20.677 -8.486 1.00 20.00 H new ATOM 655 N ALA A 34 -18.397 -23.563 -5.690 1.00 20.00 N ATOM 656 CA ALA A 34 -16.949 -23.607 -5.805 1.00 20.00 C ATOM 657 C ALA A 34 -16.386 -24.614 -4.810 1.00 20.00 C ATOM 658 O ALA A 34 -15.689 -24.252 -3.860 1.00 20.00 O ATOM 659 CB ALA A 34 -16.347 -22.228 -5.576 1.00 20.00 C ATOM 0 H ALA A 34 -18.739 -23.067 -4.867 1.00 20.00 H new ATOM 0 HA ALA A 34 -16.684 -23.922 -6.814 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -15.262 -22.285 -5.667 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -16.737 -21.533 -6.319 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -16.610 -21.878 -4.578 1.00 20.00 H new ATOM 665 N ASP A 35 -16.714 -25.881 -5.030 1.00 20.00 N ATOM 666 CA ASP A 35 -16.289 -26.954 -4.143 1.00 20.00 C ATOM 667 C ASP A 35 -14.768 -27.111 -4.175 1.00 20.00 C ATOM 668 O ASP A 35 -14.151 -27.092 -5.241 1.00 20.00 O ATOM 669 CB ASP A 35 -16.987 -28.269 -4.522 1.00 20.00 C ATOM 670 CG ASP A 35 -16.655 -28.748 -5.923 1.00 20.00 C ATOM 671 OD1 ASP A 35 -17.021 -28.061 -6.900 1.00 20.00 O ATOM 672 OD2 ASP A 35 -16.038 -29.824 -6.057 1.00 20.00 O ATOM 0 H ASP A 35 -17.277 -26.191 -5.822 1.00 20.00 H new ATOM 0 HA ASP A 35 -16.577 -26.697 -3.124 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -16.704 -29.041 -3.806 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -18.066 -28.136 -4.438 1.00 20.00 H new ATOM 677 N PRO A 36 -14.151 -27.252 -2.989 1.00 20.00 N ATOM 678 CA PRO A 36 -12.691 -27.285 -2.843 1.00 20.00 C ATOM 679 C PRO A 36 -12.063 -28.481 -3.544 1.00 20.00 C ATOM 680 O PRO A 36 -12.678 -29.543 -3.666 1.00 20.00 O ATOM 681 CB PRO A 36 -12.479 -27.377 -1.325 1.00 20.00 C ATOM 682 CG PRO A 36 -13.754 -27.925 -0.791 1.00 20.00 C ATOM 683 CD PRO A 36 -14.835 -27.402 -1.695 1.00 20.00 C ATOM 0 HA PRO A 36 -12.221 -26.413 -3.297 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -11.638 -28.027 -1.083 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -12.260 -26.399 -0.897 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -13.740 -29.015 -0.788 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -13.916 -27.605 0.238 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -15.674 -28.095 -1.761 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -15.233 -26.452 -1.338 1.00 20.00 H new ATOM 691 N ARG A 37 -10.841 -28.299 -4.014 1.00 20.00 N ATOM 692 CA ARG A 37 -10.134 -29.351 -4.723 1.00 20.00 C ATOM 693 C ARG A 37 -9.331 -30.194 -3.743 1.00 20.00 C ATOM 694 O ARG A 37 -8.604 -29.655 -2.909 1.00 20.00 O ATOM 695 CB ARG A 37 -9.188 -28.753 -5.766 1.00 20.00 C ATOM 696 CG ARG A 37 -9.866 -27.834 -6.772 1.00 20.00 C ATOM 697 CD ARG A 37 -10.972 -28.544 -7.533 1.00 20.00 C ATOM 698 NE ARG A 37 -11.495 -27.720 -8.619 1.00 20.00 N ATOM 699 CZ ARG A 37 -12.671 -27.914 -9.208 1.00 20.00 C ATOM 700 NH1 ARG A 37 -13.479 -28.882 -8.793 1.00 20.00 N ATOM 701 NH2 ARG A 37 -13.046 -27.126 -10.207 1.00 20.00 N ATOM 0 H ARG A 37 -10.317 -27.430 -3.917 1.00 20.00 H new ATOM 0 HA ARG A 37 -10.870 -29.978 -5.226 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -8.405 -28.195 -5.252 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -8.700 -29.565 -6.305 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -10.280 -26.970 -6.253 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -9.125 -27.457 -7.477 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -10.591 -29.481 -7.938 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -11.780 -28.798 -6.847 1.00 20.00 H new ATOM 0 HE ARG A 37 -10.920 -26.944 -8.948 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -13.199 -29.483 -8.018 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -14.380 -29.025 -9.250 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -12.433 -26.374 -10.521 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -13.948 -27.272 -10.661 1.00 20.00 H new ATOM 715 N PRO A 38 -9.446 -31.529 -3.832 1.00 20.00 N ATOM 716 CA PRO A 38 -8.669 -32.449 -2.994 1.00 20.00 C ATOM 717 C PRO A 38 -7.214 -32.543 -3.452 1.00 20.00 C ATOM 718 O PRO A 38 -6.657 -33.633 -3.604 1.00 20.00 O ATOM 719 CB PRO A 38 -9.384 -33.786 -3.184 1.00 20.00 C ATOM 720 CG PRO A 38 -9.998 -33.698 -4.538 1.00 20.00 C ATOM 721 CD PRO A 38 -10.352 -32.248 -4.747 1.00 20.00 C ATOM 0 HA PRO A 38 -8.621 -32.126 -1.954 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -8.686 -34.621 -3.119 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -10.141 -33.943 -2.416 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -9.303 -34.043 -5.304 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -10.885 -34.329 -4.605 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -10.199 -31.944 -5.782 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -11.398 -32.053 -4.509 1.00 20.00 H new ATOM 729 N ALA A 39 -6.618 -31.383 -3.671 1.00 20.00 N ATOM 730 CA ALA A 39 -5.246 -31.273 -4.135 1.00 20.00 C ATOM 731 C ALA A 39 -4.714 -29.881 -3.830 1.00 20.00 C ATOM 732 O ALA A 39 -4.338 -29.128 -4.729 1.00 20.00 O ATOM 733 CB ALA A 39 -5.165 -31.565 -5.625 1.00 20.00 C ATOM 0 H ALA A 39 -7.077 -30.483 -3.530 1.00 20.00 H new ATOM 0 HA ALA A 39 -4.632 -32.007 -3.613 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -4.130 -31.478 -5.957 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -5.525 -32.576 -5.818 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -5.782 -30.850 -6.170 1.00 20.00 H new ATOM 739 N ILE A 40 -4.709 -29.543 -2.554 1.00 20.00 N ATOM 740 CA ILE A 40 -4.281 -28.230 -2.105 1.00 20.00 C ATOM 741 C ILE A 40 -2.771 -28.210 -1.885 1.00 20.00 C ATOM 742 O ILE A 40 -2.232 -29.040 -1.149 1.00 20.00 O ATOM 743 CB ILE A 40 -4.999 -27.828 -0.797 1.00 20.00 C ATOM 744 CG1 ILE A 40 -6.517 -27.907 -0.977 1.00 20.00 C ATOM 745 CG2 ILE A 40 -4.588 -26.428 -0.368 1.00 20.00 C ATOM 746 CD1 ILE A 40 -7.297 -27.581 0.278 1.00 20.00 C ATOM 0 H ILE A 40 -5.000 -30.167 -1.802 1.00 20.00 H new ATOM 0 HA ILE A 40 -4.543 -27.511 -2.881 1.00 20.00 H new ATOM 0 HB ILE A 40 -4.704 -28.527 -0.014 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -6.816 -27.220 -1.769 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -6.783 -28.911 -1.309 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -5.105 -26.164 0.555 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -3.511 -26.400 -0.202 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -4.853 -25.716 -1.149 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -8.365 -27.658 0.073 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -7.027 -28.283 1.067 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -7.061 -26.567 0.600 1.00 20.00 H new ATOM 758 N PRO A 41 -2.065 -27.281 -2.543 1.00 20.00 N ATOM 759 CA PRO A 41 -0.625 -27.131 -2.375 1.00 20.00 C ATOM 760 C PRO A 41 -0.277 -26.412 -1.074 1.00 20.00 C ATOM 761 O PRO A 41 -0.959 -25.468 -0.672 1.00 20.00 O ATOM 762 CB PRO A 41 -0.217 -26.282 -3.581 1.00 20.00 C ATOM 763 CG PRO A 41 -1.426 -25.477 -3.909 1.00 20.00 C ATOM 764 CD PRO A 41 -2.617 -26.310 -3.507 1.00 20.00 C ATOM 0 HA PRO A 41 -0.112 -28.091 -2.322 1.00 20.00 H new ATOM 0 HB2 PRO A 41 0.632 -25.641 -3.344 1.00 20.00 H new ATOM 0 HB3 PRO A 41 0.081 -26.908 -4.422 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -1.417 -24.528 -3.373 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -1.458 -25.242 -4.973 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -3.397 -25.698 -3.055 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -3.062 -26.810 -4.367 1.00 20.00 H new ATOM 772 N HIS A 42 0.799 -26.847 -0.424 1.00 20.00 N ATOM 773 CA HIS A 42 1.254 -26.214 0.810 1.00 20.00 C ATOM 774 C HIS A 42 1.868 -24.858 0.506 1.00 20.00 C ATOM 775 O HIS A 42 2.183 -24.083 1.410 1.00 20.00 O ATOM 776 CB HIS A 42 2.260 -27.104 1.548 1.00 20.00 C ATOM 777 CG HIS A 42 1.640 -28.309 2.184 1.00 20.00 C ATOM 778 ND1 HIS A 42 1.426 -28.415 3.540 1.00 20.00 N ATOM 779 CD2 HIS A 42 1.175 -29.460 1.642 1.00 20.00 C ATOM 780 CE1 HIS A 42 0.856 -29.575 3.803 1.00 20.00 C ATOM 781 NE2 HIS A 42 0.693 -30.231 2.670 1.00 20.00 N ATOM 0 H HIS A 42 1.371 -27.634 -0.731 1.00 20.00 H new ATOM 0 HA HIS A 42 0.391 -26.073 1.460 1.00 20.00 H new ATOM 0 HB2 HIS A 42 3.028 -27.429 0.846 1.00 20.00 H new ATOM 0 HB3 HIS A 42 2.759 -26.514 2.317 1.00 20.00 H new ATOM 0 HD2 HIS A 42 1.182 -29.722 0.594 1.00 20.00 H new ATOM 0 HE1 HIS A 42 0.570 -29.929 4.783 1.00 20.00 H new ATOM 0 HE2 HIS A 42 0.278 -31.158 2.574 1.00 20.00 H new ATOM 790 N ASP A 43 2.022 -24.578 -0.783 1.00 20.00 N ATOM 791 CA ASP A 43 2.498 -23.282 -1.241 1.00 20.00 C ATOM 792 C ASP A 43 1.468 -22.207 -0.934 1.00 20.00 C ATOM 793 O ASP A 43 1.798 -21.029 -0.823 1.00 20.00 O ATOM 794 CB ASP A 43 2.776 -23.306 -2.744 1.00 20.00 C ATOM 795 CG ASP A 43 3.831 -24.319 -3.128 1.00 20.00 C ATOM 796 OD1 ASP A 43 5.033 -23.992 -3.037 1.00 20.00 O ATOM 797 OD2 ASP A 43 3.463 -25.446 -3.529 1.00 20.00 O ATOM 0 H ASP A 43 1.822 -25.239 -1.534 1.00 20.00 H new ATOM 0 HA ASP A 43 3.426 -23.057 -0.715 1.00 20.00 H new ATOM 0 HB2 ASP A 43 1.852 -23.531 -3.276 1.00 20.00 H new ATOM 0 HB3 ASP A 43 3.096 -22.315 -3.066 1.00 20.00 H new ATOM 802 N GLU A 44 0.218 -22.633 -0.784 1.00 20.00 N ATOM 803 CA GLU A 44 -0.881 -21.725 -0.495 1.00 20.00 C ATOM 804 C GLU A 44 -0.649 -21.016 0.835 1.00 20.00 C ATOM 805 O GLU A 44 -0.945 -19.829 0.985 1.00 20.00 O ATOM 806 CB GLU A 44 -2.200 -22.497 -0.458 1.00 20.00 C ATOM 807 CG GLU A 44 -3.420 -21.609 -0.330 1.00 20.00 C ATOM 808 CD GLU A 44 -3.614 -20.719 -1.538 1.00 20.00 C ATOM 809 OE1 GLU A 44 -3.002 -19.635 -1.589 1.00 20.00 O ATOM 810 OE2 GLU A 44 -4.387 -21.098 -2.443 1.00 20.00 O ATOM 0 H GLU A 44 -0.058 -23.612 -0.859 1.00 20.00 H new ATOM 0 HA GLU A 44 -0.932 -20.974 -1.284 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -2.288 -23.092 -1.367 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -2.179 -23.195 0.379 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -4.305 -22.230 -0.193 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -3.324 -20.990 0.562 1.00 20.00 H new ATOM 817 N VAL A 45 -0.098 -21.753 1.792 1.00 20.00 N ATOM 818 CA VAL A 45 0.224 -21.195 3.094 1.00 20.00 C ATOM 819 C VAL A 45 1.265 -20.095 2.951 1.00 20.00 C ATOM 820 O VAL A 45 1.145 -19.034 3.558 1.00 20.00 O ATOM 821 CB VAL A 45 0.742 -22.279 4.059 1.00 20.00 C ATOM 822 CG1 VAL A 45 1.142 -21.675 5.399 1.00 20.00 C ATOM 823 CG2 VAL A 45 -0.312 -23.354 4.250 1.00 20.00 C ATOM 0 H VAL A 45 0.135 -22.741 1.688 1.00 20.00 H new ATOM 0 HA VAL A 45 -0.692 -20.777 3.511 1.00 20.00 H new ATOM 0 HB VAL A 45 1.631 -22.732 3.620 1.00 20.00 H new ATOM 0 HG11 VAL A 45 1.504 -22.463 6.060 1.00 20.00 H new ATOM 0 HG12 VAL A 45 1.932 -20.939 5.245 1.00 20.00 H new ATOM 0 HG13 VAL A 45 0.277 -21.190 5.852 1.00 20.00 H new ATOM 0 HG21 VAL A 45 0.064 -24.115 4.934 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -1.216 -22.908 4.665 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -0.543 -23.812 3.288 1.00 20.00 H new ATOM 833 N GLU A 46 2.266 -20.348 2.119 1.00 20.00 N ATOM 834 CA GLU A 46 3.324 -19.375 1.872 1.00 20.00 C ATOM 835 C GLU A 46 2.756 -18.117 1.220 1.00 20.00 C ATOM 836 O GLU A 46 3.177 -17.006 1.532 1.00 20.00 O ATOM 837 CB GLU A 46 4.420 -19.983 0.992 1.00 20.00 C ATOM 838 CG GLU A 46 5.564 -19.029 0.692 1.00 20.00 C ATOM 839 CD GLU A 46 6.680 -19.689 -0.083 1.00 20.00 C ATOM 840 OE1 GLU A 46 6.482 -19.998 -1.276 1.00 20.00 O ATOM 841 OE2 GLU A 46 7.765 -19.897 0.495 1.00 20.00 O ATOM 0 H GLU A 46 2.369 -21.221 1.602 1.00 20.00 H new ATOM 0 HA GLU A 46 3.764 -19.099 2.830 1.00 20.00 H new ATOM 0 HB2 GLU A 46 4.818 -20.870 1.485 1.00 20.00 H new ATOM 0 HB3 GLU A 46 3.977 -20.312 0.052 1.00 20.00 H new ATOM 0 HG2 GLU A 46 5.185 -18.179 0.124 1.00 20.00 H new ATOM 0 HG3 GLU A 46 5.960 -18.636 1.628 1.00 20.00 H new ATOM 848 N ARG A 47 1.787 -18.301 0.331 1.00 20.00 N ATOM 849 CA ARG A 47 1.141 -17.179 -0.340 1.00 20.00 C ATOM 850 C ARG A 47 0.435 -16.287 0.676 1.00 20.00 C ATOM 851 O ARG A 47 0.591 -15.067 0.663 1.00 20.00 O ATOM 852 CB ARG A 47 0.126 -17.675 -1.372 1.00 20.00 C ATOM 853 CG ARG A 47 0.700 -18.624 -2.414 1.00 20.00 C ATOM 854 CD ARG A 47 -0.346 -19.011 -3.447 1.00 20.00 C ATOM 855 NE ARG A 47 -0.745 -17.869 -4.268 1.00 20.00 N ATOM 856 CZ ARG A 47 -1.985 -17.379 -4.331 1.00 20.00 C ATOM 857 NH1 ARG A 47 -2.961 -17.909 -3.604 1.00 20.00 N ATOM 858 NH2 ARG A 47 -2.246 -16.351 -5.128 1.00 20.00 N ATOM 0 H ARG A 47 1.431 -19.217 0.058 1.00 20.00 H new ATOM 0 HA ARG A 47 1.913 -16.604 -0.851 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -0.688 -18.178 -0.850 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -0.306 -16.814 -1.882 1.00 20.00 H new ATOM 0 HG2 ARG A 47 1.547 -18.152 -2.911 1.00 20.00 H new ATOM 0 HG3 ARG A 47 1.078 -19.521 -1.923 1.00 20.00 H new ATOM 0 HD2 ARG A 47 0.050 -19.799 -4.088 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -1.221 -19.420 -2.943 1.00 20.00 H new ATOM 0 HE ARG A 47 -0.026 -17.415 -4.832 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -2.767 -18.699 -2.989 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -3.905 -17.526 -3.660 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -1.501 -15.939 -5.689 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -3.192 -15.973 -5.180 1.00 20.00 H new ATOM 872 N ARG A 48 -0.332 -16.910 1.565 1.00 20.00 N ATOM 873 CA ARG A 48 -1.069 -16.175 2.587 1.00 20.00 C ATOM 874 C ARG A 48 -0.123 -15.617 3.645 1.00 20.00 C ATOM 875 O ARG A 48 -0.358 -14.544 4.203 1.00 20.00 O ATOM 876 CB ARG A 48 -2.118 -17.070 3.245 1.00 20.00 C ATOM 877 CG ARG A 48 -3.204 -17.545 2.295 1.00 20.00 C ATOM 878 CD ARG A 48 -4.327 -18.248 3.041 1.00 20.00 C ATOM 879 NE ARG A 48 -4.937 -17.381 4.051 1.00 20.00 N ATOM 880 CZ ARG A 48 -6.184 -17.523 4.502 1.00 20.00 C ATOM 881 NH1 ARG A 48 -6.967 -18.482 4.021 1.00 20.00 N ATOM 882 NH2 ARG A 48 -6.653 -16.701 5.435 1.00 20.00 N ATOM 0 H ARG A 48 -0.459 -17.921 1.598 1.00 20.00 H new ATOM 0 HA ARG A 48 -1.574 -15.342 2.099 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -1.621 -17.939 3.677 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -2.581 -16.526 4.068 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -3.607 -16.694 1.746 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -2.774 -18.224 1.559 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -5.089 -18.570 2.331 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -3.938 -19.146 3.520 1.00 20.00 H new ATOM 0 HE ARG A 48 -4.373 -16.622 4.433 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -6.615 -19.115 3.303 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -7.920 -18.585 4.370 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -6.059 -15.960 5.807 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -7.607 -16.811 5.779 1.00 20.00 H new ATOM 896 N MET A 49 0.947 -16.347 3.914 1.00 20.00 N ATOM 897 CA MET A 49 1.952 -15.906 4.867 1.00 20.00 C ATOM 898 C MET A 49 2.691 -14.696 4.311 1.00 20.00 C ATOM 899 O MET A 49 3.086 -13.795 5.051 1.00 20.00 O ATOM 900 CB MET A 49 2.931 -17.038 5.172 1.00 20.00 C ATOM 901 CG MET A 49 3.842 -16.757 6.353 1.00 20.00 C ATOM 902 SD MET A 49 2.930 -16.467 7.884 1.00 20.00 S ATOM 903 CE MET A 49 2.101 -18.042 8.092 1.00 20.00 C ATOM 0 H MET A 49 1.142 -17.251 3.484 1.00 20.00 H new ATOM 0 HA MET A 49 1.459 -15.623 5.797 1.00 20.00 H new ATOM 0 HB2 MET A 49 2.368 -17.950 5.368 1.00 20.00 H new ATOM 0 HB3 MET A 49 3.543 -17.225 4.289 1.00 20.00 H new ATOM 0 HG2 MET A 49 4.519 -17.600 6.493 1.00 20.00 H new ATOM 0 HG3 MET A 49 4.458 -15.886 6.132 1.00 20.00 H new ATOM 0 HE1 MET A 49 1.765 -18.143 9.124 1.00 20.00 H new ATOM 0 HE2 MET A 49 1.241 -18.092 7.424 1.00 20.00 H new ATOM 0 HE3 MET A 49 2.792 -18.851 7.855 1.00 20.00 H new ATOM 913 N ALA A 50 2.874 -14.684 2.996 1.00 20.00 N ATOM 914 CA ALA A 50 3.454 -13.542 2.313 1.00 20.00 C ATOM 915 C ALA A 50 2.544 -12.333 2.446 1.00 20.00 C ATOM 916 O ALA A 50 3.009 -11.212 2.653 1.00 20.00 O ATOM 917 CB ALA A 50 3.699 -13.863 0.851 1.00 20.00 C ATOM 0 H ALA A 50 2.626 -15.459 2.381 1.00 20.00 H new ATOM 0 HA ALA A 50 4.412 -13.310 2.778 1.00 20.00 H new ATOM 0 HB1 ALA A 50 4.134 -12.995 0.356 1.00 20.00 H new ATOM 0 HB2 ALA A 50 4.385 -14.706 0.774 1.00 20.00 H new ATOM 0 HB3 ALA A 50 2.754 -14.119 0.371 1.00 20.00 H new ATOM 923 N GLU A 51 1.242 -12.573 2.328 1.00 20.00 N ATOM 924 CA GLU A 51 0.248 -11.525 2.520 1.00 20.00 C ATOM 925 C GLU A 51 0.335 -10.976 3.936 1.00 20.00 C ATOM 926 O GLU A 51 0.354 -9.763 4.146 1.00 20.00 O ATOM 927 CB GLU A 51 -1.167 -12.055 2.282 1.00 20.00 C ATOM 928 CG GLU A 51 -1.437 -12.531 0.867 1.00 20.00 C ATOM 929 CD GLU A 51 -2.898 -12.870 0.648 1.00 20.00 C ATOM 930 OE1 GLU A 51 -3.294 -14.027 0.905 1.00 20.00 O ATOM 931 OE2 GLU A 51 -3.660 -11.974 0.223 1.00 20.00 O ATOM 0 H GLU A 51 0.851 -13.487 2.100 1.00 20.00 H new ATOM 0 HA GLU A 51 0.456 -10.735 1.799 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -1.351 -12.880 2.970 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -1.881 -11.269 2.529 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -1.135 -11.757 0.161 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -0.826 -13.409 0.658 1.00 20.00 H new ATOM 938 N ARG A 52 0.402 -11.891 4.897 1.00 20.00 N ATOM 939 CA ARG A 52 0.444 -11.535 6.305 1.00 20.00 C ATOM 940 C ARG A 52 1.672 -10.684 6.603 1.00 20.00 C ATOM 941 O ARG A 52 1.562 -9.619 7.201 1.00 20.00 O ATOM 942 CB ARG A 52 0.461 -12.797 7.173 1.00 20.00 C ATOM 943 CG ARG A 52 0.168 -12.529 8.639 1.00 20.00 C ATOM 944 CD ARG A 52 -1.270 -12.079 8.841 1.00 20.00 C ATOM 945 NE ARG A 52 -1.544 -11.702 10.225 1.00 20.00 N ATOM 946 CZ ARG A 52 -2.680 -11.977 10.861 1.00 20.00 C ATOM 947 NH1 ARG A 52 -3.613 -12.715 10.273 1.00 20.00 N ATOM 948 NH2 ARG A 52 -2.874 -11.529 12.094 1.00 20.00 N ATOM 0 H ARG A 52 0.428 -12.895 4.720 1.00 20.00 H new ATOM 0 HA ARG A 52 -0.450 -10.956 6.539 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -0.274 -13.503 6.787 1.00 20.00 H new ATOM 0 HB3 ARG A 52 1.437 -13.274 7.087 1.00 20.00 H new ATOM 0 HG2 ARG A 52 0.354 -13.432 9.220 1.00 20.00 H new ATOM 0 HG3 ARG A 52 0.847 -11.763 9.014 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -1.478 -11.231 8.188 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -1.945 -12.882 8.545 1.00 20.00 H new ATOM 0 HE ARG A 52 -0.820 -11.197 10.736 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -3.461 -13.074 9.330 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -4.483 -12.924 10.764 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -2.153 -10.974 12.554 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -3.745 -11.739 12.582 1.00 20.00 H new ATOM 962 N PHE A 53 2.829 -11.156 6.152 1.00 20.00 N ATOM 963 CA PHE A 53 4.099 -10.472 6.381 1.00 20.00 C ATOM 964 C PHE A 53 4.089 -9.071 5.769 1.00 20.00 C ATOM 965 O PHE A 53 4.581 -8.114 6.369 1.00 20.00 O ATOM 966 CB PHE A 53 5.245 -11.298 5.785 1.00 20.00 C ATOM 967 CG PHE A 53 6.614 -10.711 5.998 1.00 20.00 C ATOM 968 CD1 PHE A 53 7.328 -10.993 7.149 1.00 20.00 C ATOM 969 CD2 PHE A 53 7.188 -9.887 5.042 1.00 20.00 C ATOM 970 CE1 PHE A 53 8.589 -10.465 7.346 1.00 20.00 C ATOM 971 CE2 PHE A 53 8.449 -9.355 5.233 1.00 20.00 C ATOM 972 CZ PHE A 53 9.150 -9.645 6.387 1.00 20.00 C ATOM 0 H PHE A 53 2.914 -12.021 5.619 1.00 20.00 H new ATOM 0 HA PHE A 53 4.245 -10.369 7.456 1.00 20.00 H new ATOM 0 HB2 PHE A 53 5.220 -12.297 6.220 1.00 20.00 H new ATOM 0 HB3 PHE A 53 5.075 -11.412 4.714 1.00 20.00 H new ATOM 0 HD1 PHE A 53 6.894 -11.634 7.902 1.00 20.00 H new ATOM 0 HD2 PHE A 53 6.643 -9.658 4.138 1.00 20.00 H new ATOM 0 HE1 PHE A 53 9.136 -10.693 8.249 1.00 20.00 H new ATOM 0 HE2 PHE A 53 8.885 -8.714 4.481 1.00 20.00 H new ATOM 0 HZ PHE A 53 10.136 -9.231 6.539 1.00 20.00 H new ATOM 982 N ALA A 54 3.515 -8.961 4.580 1.00 20.00 N ATOM 983 CA ALA A 54 3.499 -7.702 3.852 1.00 20.00 C ATOM 984 C ALA A 54 2.648 -6.651 4.559 1.00 20.00 C ATOM 985 O ALA A 54 3.121 -5.551 4.846 1.00 20.00 O ATOM 986 CB ALA A 54 3.000 -7.924 2.435 1.00 20.00 C ATOM 0 H ALA A 54 3.053 -9.732 4.098 1.00 20.00 H new ATOM 0 HA ALA A 54 4.521 -7.325 3.816 1.00 20.00 H new ATOM 0 HB1 ALA A 54 2.992 -6.975 1.899 1.00 20.00 H new ATOM 0 HB2 ALA A 54 3.659 -8.625 1.923 1.00 20.00 H new ATOM 0 HB3 ALA A 54 1.990 -8.332 2.465 1.00 20.00 H new ATOM 992 N LYS A 55 1.404 -7.002 4.863 1.00 20.00 N ATOM 993 CA LYS A 55 0.465 -6.042 5.433 1.00 20.00 C ATOM 994 C LYS A 55 0.679 -5.866 6.933 1.00 20.00 C ATOM 995 O LYS A 55 0.132 -4.946 7.539 1.00 20.00 O ATOM 996 CB LYS A 55 -0.976 -6.469 5.150 1.00 20.00 C ATOM 997 CG LYS A 55 -1.396 -7.737 5.872 1.00 20.00 C ATOM 998 CD LYS A 55 -2.806 -8.143 5.491 1.00 20.00 C ATOM 999 CE LYS A 55 -3.267 -9.367 6.264 1.00 20.00 C ATOM 1000 NZ LYS A 55 -3.398 -9.088 7.720 1.00 20.00 N ATOM 0 H LYS A 55 1.023 -7.938 4.726 1.00 20.00 H new ATOM 0 HA LYS A 55 0.650 -5.080 4.956 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -1.647 -5.660 5.438 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -1.096 -6.617 4.077 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -0.704 -8.543 5.629 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -1.338 -7.581 6.949 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -3.487 -7.314 5.682 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -2.848 -8.351 4.422 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -4.226 -9.704 5.871 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -2.557 -10.180 6.113 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -3.917 -9.865 8.177 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -2.452 -9.007 8.144 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -3.916 -8.197 7.857 1.00 20.00 H new ATOM 1014 N MET A 56 1.470 -6.752 7.526 1.00 20.00 N ATOM 1015 CA MET A 56 1.795 -6.664 8.947 1.00 20.00 C ATOM 1016 C MET A 56 2.554 -5.376 9.239 1.00 20.00 C ATOM 1017 O MET A 56 2.273 -4.681 10.218 1.00 20.00 O ATOM 1018 CB MET A 56 2.627 -7.877 9.377 1.00 20.00 C ATOM 1019 CG MET A 56 3.096 -7.830 10.822 1.00 20.00 C ATOM 1020 SD MET A 56 4.004 -9.311 11.298 1.00 20.00 S ATOM 1021 CE MET A 56 5.388 -9.253 10.161 1.00 20.00 C ATOM 0 H MET A 56 1.900 -7.542 7.045 1.00 20.00 H new ATOM 0 HA MET A 56 0.865 -6.657 9.516 1.00 20.00 H new ATOM 0 HB2 MET A 56 2.036 -8.780 9.228 1.00 20.00 H new ATOM 0 HB3 MET A 56 3.498 -7.955 8.726 1.00 20.00 H new ATOM 0 HG2 MET A 56 3.731 -6.956 10.967 1.00 20.00 H new ATOM 0 HG3 MET A 56 2.233 -7.710 11.477 1.00 20.00 H new ATOM 0 HE1 MET A 56 6.309 -9.484 10.697 1.00 20.00 H new ATOM 0 HE2 MET A 56 5.237 -9.984 9.366 1.00 20.00 H new ATOM 0 HE3 MET A 56 5.461 -8.256 9.728 1.00 20.00 H new ATOM 1031 N ARG A 57 3.510 -5.064 8.379 1.00 20.00 N ATOM 1032 CA ARG A 57 4.268 -3.830 8.492 1.00 20.00 C ATOM 1033 C ARG A 57 3.686 -2.776 7.560 1.00 20.00 C ATOM 1034 O ARG A 57 3.769 -1.577 7.836 1.00 20.00 O ATOM 1035 CB ARG A 57 5.746 -4.087 8.175 1.00 20.00 C ATOM 1036 CG ARG A 57 6.622 -2.845 8.244 1.00 20.00 C ATOM 1037 CD ARG A 57 8.102 -3.204 8.244 1.00 20.00 C ATOM 1038 NE ARG A 57 8.461 -4.091 7.136 1.00 20.00 N ATOM 1039 CZ ARG A 57 9.714 -4.428 6.826 1.00 20.00 C ATOM 1040 NH1 ARG A 57 10.732 -3.945 7.531 1.00 20.00 N ATOM 1041 NH2 ARG A 57 9.950 -5.251 5.811 1.00 20.00 N ATOM 0 H ARG A 57 3.780 -5.653 7.591 1.00 20.00 H new ATOM 0 HA ARG A 57 4.200 -3.459 9.515 1.00 20.00 H new ATOM 0 HB2 ARG A 57 6.132 -4.830 8.873 1.00 20.00 H new ATOM 0 HB3 ARG A 57 5.823 -4.517 7.177 1.00 20.00 H new ATOM 0 HG2 ARG A 57 6.404 -2.197 7.395 1.00 20.00 H new ATOM 0 HG3 ARG A 57 6.384 -2.280 9.145 1.00 20.00 H new ATOM 0 HD2 ARG A 57 8.694 -2.291 8.182 1.00 20.00 H new ATOM 0 HD3 ARG A 57 8.356 -3.685 9.188 1.00 20.00 H new ATOM 0 HE ARG A 57 7.707 -4.475 6.566 1.00 20.00 H new ATOM 0 HH11 ARG A 57 10.557 -3.314 8.313 1.00 20.00 H new ATOM 0 HH12 ARG A 57 11.688 -4.206 7.290 1.00 20.00 H new ATOM 0 HH21 ARG A 57 9.173 -5.626 5.267 1.00 20.00 H new ATOM 0 HH22 ARG A 57 10.908 -5.508 5.575 1.00 20.00 H new ATOM 1055 N LYS A 58 3.098 -3.250 6.456 1.00 20.00 N ATOM 1056 CA LYS A 58 2.423 -2.405 5.461 1.00 20.00 C ATOM 1057 C LYS A 58 3.428 -1.608 4.627 1.00 20.00 C ATOM 1058 O LYS A 58 3.369 -1.618 3.397 1.00 20.00 O ATOM 1059 CB LYS A 58 1.406 -1.466 6.129 1.00 20.00 C ATOM 1060 CG LYS A 58 0.567 -0.638 5.155 1.00 20.00 C ATOM 1061 CD LYS A 58 -0.418 -1.490 4.358 1.00 20.00 C ATOM 1062 CE LYS A 58 0.155 -1.946 3.020 1.00 20.00 C ATOM 1063 NZ LYS A 58 0.472 -0.798 2.130 1.00 20.00 N ATOM 0 H LYS A 58 3.077 -4.243 6.224 1.00 20.00 H new ATOM 0 HA LYS A 58 1.882 -3.068 4.786 1.00 20.00 H new ATOM 0 HB2 LYS A 58 0.736 -2.061 6.750 1.00 20.00 H new ATOM 0 HB3 LYS A 58 1.940 -0.788 6.795 1.00 20.00 H new ATOM 0 HG2 LYS A 58 0.018 0.123 5.710 1.00 20.00 H new ATOM 0 HG3 LYS A 58 1.229 -0.114 4.466 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -0.697 -2.364 4.947 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -1.330 -0.919 4.184 1.00 20.00 H new ATOM 0 HE2 LYS A 58 1.058 -2.531 3.193 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -0.560 -2.603 2.524 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 0.430 -1.106 1.138 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -0.219 -0.037 2.286 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 1.427 -0.447 2.343 1.00 20.00 H new ATOM 1077 N GLU A 59 4.348 -0.931 5.293 1.00 20.00 N ATOM 1078 CA GLU A 59 5.361 -0.142 4.611 1.00 20.00 C ATOM 1079 C GLU A 59 6.520 -1.024 4.165 1.00 20.00 C ATOM 1080 O GLU A 59 7.492 -1.219 4.899 1.00 20.00 O ATOM 1081 CB GLU A 59 5.863 0.981 5.517 1.00 20.00 C ATOM 1082 CG GLU A 59 4.830 2.066 5.757 1.00 20.00 C ATOM 1083 CD GLU A 59 5.300 3.106 6.744 1.00 20.00 C ATOM 1084 OE1 GLU A 59 6.126 3.962 6.364 1.00 20.00 O ATOM 1085 OE2 GLU A 59 4.843 3.076 7.904 1.00 20.00 O ATOM 0 H GLU A 59 4.415 -0.912 6.311 1.00 20.00 H new ATOM 0 HA GLU A 59 4.909 0.303 3.725 1.00 20.00 H new ATOM 0 HB2 GLU A 59 6.165 0.558 6.475 1.00 20.00 H new ATOM 0 HB3 GLU A 59 6.752 1.428 5.072 1.00 20.00 H new ATOM 0 HG2 GLU A 59 4.591 2.551 4.810 1.00 20.00 H new ATOM 0 HG3 GLU A 59 3.910 1.612 6.124 1.00 20.00 H new ATOM 1092 N ARG A 60 6.398 -1.569 2.965 1.00 20.00 N ATOM 1093 CA ARG A 60 7.448 -2.392 2.392 1.00 20.00 C ATOM 1094 C ARG A 60 8.553 -1.506 1.836 1.00 20.00 C ATOM 1095 O ARG A 60 8.314 -0.719 0.917 1.00 20.00 O ATOM 1096 CB ARG A 60 6.893 -3.283 1.280 1.00 20.00 C ATOM 1097 CG ARG A 60 5.823 -4.256 1.744 1.00 20.00 C ATOM 1098 CD ARG A 60 5.350 -5.129 0.593 1.00 20.00 C ATOM 1099 NE ARG A 60 6.458 -5.853 -0.027 1.00 20.00 N ATOM 1100 CZ ARG A 60 6.652 -5.944 -1.343 1.00 20.00 C ATOM 1101 NH1 ARG A 60 5.794 -5.385 -2.187 1.00 20.00 N ATOM 1102 NH2 ARG A 60 7.701 -6.601 -1.816 1.00 20.00 N ATOM 0 H ARG A 60 5.579 -1.455 2.368 1.00 20.00 H new ATOM 0 HA ARG A 60 7.853 -3.030 3.178 1.00 20.00 H new ATOM 0 HB2 ARG A 60 6.479 -2.651 0.495 1.00 20.00 H new ATOM 0 HB3 ARG A 60 7.714 -3.846 0.836 1.00 20.00 H new ATOM 0 HG2 ARG A 60 6.218 -4.883 2.543 1.00 20.00 H new ATOM 0 HG3 ARG A 60 4.979 -3.705 2.159 1.00 20.00 H new ATOM 0 HD2 ARG A 60 4.609 -5.840 0.957 1.00 20.00 H new ATOM 0 HD3 ARG A 60 4.856 -4.509 -0.155 1.00 20.00 H new ATOM 0 HE ARG A 60 7.126 -6.319 0.587 1.00 20.00 H new ATOM 0 HH11 ARG A 60 4.981 -4.883 -1.830 1.00 20.00 H new ATOM 0 HH12 ARG A 60 5.947 -5.458 -3.193 1.00 20.00 H new ATOM 0 HH21 ARG A 60 8.361 -7.038 -1.173 1.00 20.00 H new ATOM 0 HH22 ARG A 60 7.848 -6.670 -2.823 1.00 20.00 H new ATOM 1116 N SER A 61 9.747 -1.633 2.414 1.00 20.00 N ATOM 1117 CA SER A 61 10.907 -0.841 2.015 1.00 20.00 C ATOM 1118 C SER A 61 10.744 0.619 2.443 1.00 20.00 C ATOM 1119 O SER A 61 9.792 1.298 2.053 1.00 20.00 O ATOM 1120 CB SER A 61 11.144 -0.939 0.498 1.00 20.00 C ATOM 1121 OG SER A 61 12.231 -0.125 0.089 1.00 20.00 O ATOM 0 H SER A 61 9.936 -2.289 3.172 1.00 20.00 H new ATOM 0 HA SER A 61 11.782 -1.249 2.522 1.00 20.00 H new ATOM 0 HB2 SER A 61 11.342 -1.976 0.226 1.00 20.00 H new ATOM 0 HB3 SER A 61 10.241 -0.636 -0.033 1.00 20.00 H new ATOM 0 HG SER A 61 12.030 0.276 -0.782 1.00 20.00 H new ATOM 1127 N LYS A 62 11.675 1.096 3.260 1.00 20.00 N ATOM 1128 CA LYS A 62 11.646 2.470 3.739 1.00 20.00 C ATOM 1129 C LYS A 62 11.971 3.433 2.601 1.00 20.00 C ATOM 1130 O LYS A 62 11.596 4.607 2.644 1.00 20.00 O ATOM 1131 CB LYS A 62 12.643 2.639 4.889 1.00 20.00 C ATOM 1132 CG LYS A 62 12.685 4.044 5.471 1.00 20.00 C ATOM 1133 CD LYS A 62 13.702 4.160 6.597 1.00 20.00 C ATOM 1134 CE LYS A 62 15.121 3.875 6.122 1.00 20.00 C ATOM 1135 NZ LYS A 62 15.573 4.842 5.086 1.00 20.00 N ATOM 0 H LYS A 62 12.463 0.548 3.605 1.00 20.00 H new ATOM 0 HA LYS A 62 10.645 2.699 4.106 1.00 20.00 H new ATOM 0 HB2 LYS A 62 12.389 1.936 5.682 1.00 20.00 H new ATOM 0 HB3 LYS A 62 13.639 2.374 4.534 1.00 20.00 H new ATOM 0 HG2 LYS A 62 12.932 4.756 4.684 1.00 20.00 H new ATOM 0 HG3 LYS A 62 11.697 4.312 5.845 1.00 20.00 H new ATOM 0 HD2 LYS A 62 13.658 5.162 7.023 1.00 20.00 H new ATOM 0 HD3 LYS A 62 13.441 3.464 7.394 1.00 20.00 H new ATOM 0 HE2 LYS A 62 15.801 3.913 6.973 1.00 20.00 H new ATOM 0 HE3 LYS A 62 15.171 2.864 5.719 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 16.591 4.718 4.916 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 15.051 4.673 4.202 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 15.393 5.812 5.414 1.00 20.00 H new ATOM 1149 N GLN A 63 12.646 2.909 1.577 1.00 20.00 N ATOM 1150 CA GLN A 63 13.073 3.698 0.420 1.00 20.00 C ATOM 1151 C GLN A 63 14.030 4.802 0.848 1.00 20.00 C ATOM 1152 O GLN A 63 13.580 5.950 1.047 1.00 20.00 O ATOM 1153 CB GLN A 63 11.867 4.292 -0.320 1.00 20.00 C ATOM 1154 CG GLN A 63 10.941 3.240 -0.912 1.00 20.00 C ATOM 1155 CD GLN A 63 11.605 2.404 -1.988 1.00 20.00 C ATOM 1156 OE1 GLN A 63 11.298 1.224 -2.149 1.00 20.00 O ATOM 1157 NE2 GLN A 63 12.507 3.009 -2.743 1.00 20.00 N ATOM 1158 OXT GLN A 63 15.230 4.509 1.006 1.00 20.00 O ATOM 0 H GLN A 63 12.912 1.926 1.526 1.00 20.00 H new ATOM 0 HA GLN A 63 13.595 3.031 -0.266 1.00 20.00 H new ATOM 0 HB2 GLN A 63 11.300 4.918 0.369 1.00 20.00 H new ATOM 0 HB3 GLN A 63 12.225 4.941 -1.119 1.00 20.00 H new ATOM 0 HG2 GLN A 63 10.589 2.584 -0.116 1.00 20.00 H new ATOM 0 HG3 GLN A 63 10.063 3.731 -1.332 1.00 20.00 H new ATOM 0 HE21 GLN A 63 12.735 3.990 -2.579 1.00 20.00 H new ATOM 0 HE22 GLN A 63 12.975 2.495 -3.490 1.00 20.00 H new TER 1167 GLN A 63