USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 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 Single : A 1 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.13) USER MOD Single : A 2 ASN : amide:sc= -0.0858 X(o=-0.086,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -161:sc= -0.206 (180deg=-0.871) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 TYR OH : rot -123:sc= 0.82 USER MOD Single : A -7 MET CE :methyl -163:sc= -0.0844 (180deg=-0.466) USER MOD Single : A -7 MET N :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -1.59! C(o=-1.6!,f=-5.1!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.112 K(o=-0.11,f=-0.82) USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= -0.0156 (180deg=-0.219) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.204 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=-0.18) USER MOD Single : A 49 MET CE :methyl 155:sc= -0.24 (180deg=-0.883) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 166:sc= -0.517 (180deg=-0.8) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -23.094 17.580 -39.655 1.00 20.00 N ATOM 2 CA MET A -7 -22.794 17.664 -38.207 1.00 20.00 C ATOM 3 C MET A -7 -24.074 17.507 -37.394 1.00 20.00 C ATOM 4 O MET A -7 -24.650 18.485 -36.917 1.00 20.00 O ATOM 5 CB MET A -7 -22.119 19.003 -37.879 1.00 20.00 C ATOM 6 CG MET A -7 -21.684 19.130 -36.424 1.00 20.00 C ATOM 7 SD MET A -7 -20.910 20.720 -36.059 1.00 20.00 S ATOM 8 CE MET A -7 -19.436 20.630 -37.076 1.00 20.00 C ATOM 0 H1 MET A -7 -22.214 17.688 -40.199 1.00 20.00 H new ATOM 0 H2 MET A -7 -23.521 16.656 -39.868 1.00 20.00 H new ATOM 0 H3 MET A -7 -23.758 18.337 -39.916 1.00 20.00 H new ATOM 0 HA MET A -7 -22.111 16.856 -37.945 1.00 20.00 H new ATOM 0 HB2 MET A -7 -21.247 19.127 -38.522 1.00 20.00 H new ATOM 0 HB3 MET A -7 -22.808 19.814 -38.115 1.00 20.00 H new ATOM 0 HG2 MET A -7 -22.552 18.997 -35.778 1.00 20.00 H new ATOM 0 HG3 MET A -7 -20.984 18.328 -36.188 1.00 20.00 H new ATOM 0 HE1 MET A -7 -18.717 21.378 -36.742 1.00 20.00 H new ATOM 0 HE2 MET A -7 -18.994 19.637 -36.989 1.00 20.00 H new ATOM 0 HE3 MET A -7 -19.700 20.820 -38.116 1.00 20.00 H new ATOM 20 N ASP A -6 -24.524 16.269 -37.253 1.00 20.00 N ATOM 21 CA ASP A -6 -25.734 15.971 -36.498 1.00 20.00 C ATOM 22 C ASP A -6 -25.557 14.696 -35.685 1.00 20.00 C ATOM 23 O ASP A -6 -26.012 13.623 -36.086 1.00 20.00 O ATOM 24 CB ASP A -6 -26.947 15.826 -37.428 1.00 20.00 C ATOM 25 CG ASP A -6 -27.492 17.160 -37.901 1.00 20.00 C ATOM 26 OD1 ASP A -6 -28.300 17.766 -37.169 1.00 20.00 O ATOM 27 OD2 ASP A -6 -27.121 17.609 -39.004 1.00 20.00 O ATOM 0 H ASP A -6 -24.067 15.450 -37.654 1.00 20.00 H new ATOM 0 HA ASP A -6 -25.914 16.806 -35.821 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -26.665 15.227 -38.294 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -27.735 15.282 -36.907 1.00 20.00 H new ATOM 32 N TYR A -5 -24.888 14.814 -34.551 1.00 20.00 N ATOM 33 CA TYR A -5 -24.688 13.680 -33.662 1.00 20.00 C ATOM 34 C TYR A -5 -25.247 13.994 -32.279 1.00 20.00 C ATOM 35 O TYR A -5 -25.036 15.087 -31.746 1.00 20.00 O ATOM 36 CB TYR A -5 -23.200 13.311 -33.559 1.00 20.00 C ATOM 37 CG TYR A -5 -22.927 12.172 -32.601 1.00 20.00 C ATOM 38 CD1 TYR A -5 -23.068 10.850 -33.002 1.00 20.00 C ATOM 39 CD2 TYR A -5 -22.550 12.420 -31.287 1.00 20.00 C ATOM 40 CE1 TYR A -5 -22.837 9.810 -32.123 1.00 20.00 C ATOM 41 CE2 TYR A -5 -22.322 11.386 -30.402 1.00 20.00 C ATOM 42 CZ TYR A -5 -22.467 10.083 -30.822 1.00 20.00 C ATOM 43 OH TYR A -5 -22.249 9.050 -29.937 1.00 20.00 O ATOM 0 H TYR A -5 -24.473 15.686 -34.223 1.00 20.00 H new ATOM 0 HA TYR A -5 -25.221 12.825 -34.079 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -22.831 13.040 -34.548 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -22.637 14.188 -33.239 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -23.363 10.632 -34.018 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -22.433 13.440 -30.952 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -22.946 8.787 -32.453 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -22.031 11.598 -29.384 1.00 20.00 H new ATOM 0 HH TYR A -5 -22.836 9.156 -29.159 1.00 20.00 H new ATOM 53 N LYS A -4 -25.955 13.034 -31.706 1.00 20.00 N ATOM 54 CA LYS A -4 -26.529 13.187 -30.379 1.00 20.00 C ATOM 55 C LYS A -4 -26.187 11.979 -29.521 1.00 20.00 C ATOM 56 O LYS A -4 -25.751 10.953 -30.043 1.00 20.00 O ATOM 57 CB LYS A -4 -28.046 13.376 -30.476 1.00 20.00 C ATOM 58 CG LYS A -4 -28.756 12.269 -31.243 1.00 20.00 C ATOM 59 CD LYS A -4 -30.192 12.647 -31.559 1.00 20.00 C ATOM 60 CE LYS A -4 -30.883 11.575 -32.388 1.00 20.00 C ATOM 61 NZ LYS A -4 -32.226 12.011 -32.854 1.00 20.00 N ATOM 0 H LYS A -4 -26.147 12.133 -32.144 1.00 20.00 H new ATOM 0 HA LYS A -4 -26.105 14.074 -29.908 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -28.461 13.431 -29.470 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -28.254 14.331 -30.959 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -28.220 12.065 -32.170 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -28.741 11.350 -30.657 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -30.741 12.800 -30.630 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -30.209 13.593 -32.099 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -30.263 11.327 -33.250 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -30.982 10.666 -31.795 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -32.662 11.252 -33.415 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -32.827 12.223 -32.032 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -32.130 12.864 -33.442 1.00 20.00 H new ATOM 75 N ASP A -3 -26.380 12.116 -28.212 1.00 20.00 N ATOM 76 CA ASP A -3 -26.053 11.066 -27.245 1.00 20.00 C ATOM 77 C ASP A -3 -24.568 10.715 -27.293 1.00 20.00 C ATOM 78 O ASP A -3 -24.157 9.737 -27.924 1.00 20.00 O ATOM 79 CB ASP A -3 -26.906 9.809 -27.464 1.00 20.00 C ATOM 80 CG ASP A -3 -26.537 8.690 -26.504 1.00 20.00 C ATOM 81 OD1 ASP A -3 -26.664 8.883 -25.277 1.00 20.00 O ATOM 82 OD2 ASP A -3 -26.118 7.607 -26.972 1.00 20.00 O ATOM 0 H ASP A -3 -26.768 12.959 -27.789 1.00 20.00 H new ATOM 0 HA ASP A -3 -26.283 11.460 -26.255 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -27.959 10.060 -27.339 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -26.781 9.461 -28.490 1.00 20.00 H new ATOM 87 N ASP A -2 -23.761 11.530 -26.635 1.00 20.00 N ATOM 88 CA ASP A -2 -22.335 11.270 -26.553 1.00 20.00 C ATOM 89 C ASP A -2 -22.052 10.316 -25.399 1.00 20.00 C ATOM 90 O ASP A -2 -21.714 9.156 -25.622 1.00 20.00 O ATOM 91 CB ASP A -2 -21.556 12.577 -26.375 1.00 20.00 C ATOM 92 CG ASP A -2 -21.697 13.511 -27.565 1.00 20.00 C ATOM 93 OD1 ASP A -2 -22.685 14.274 -27.621 1.00 20.00 O ATOM 94 OD2 ASP A -2 -20.812 13.496 -28.446 1.00 20.00 O ATOM 0 H ASP A -2 -24.068 12.374 -26.152 1.00 20.00 H new ATOM 0 HA ASP A -2 -22.007 10.807 -27.484 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -21.907 13.085 -25.476 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -20.501 12.348 -26.221 1.00 20.00 H new ATOM 99 N ASP A -1 -22.236 10.795 -24.172 1.00 20.00 N ATOM 100 CA ASP A -1 -22.110 9.956 -22.979 1.00 20.00 C ATOM 101 C ASP A -1 -22.693 10.661 -21.757 1.00 20.00 C ATOM 102 O ASP A -1 -23.826 10.393 -21.355 1.00 20.00 O ATOM 103 CB ASP A -1 -20.649 9.569 -22.706 1.00 20.00 C ATOM 104 CG ASP A -1 -20.354 8.118 -23.051 1.00 20.00 C ATOM 105 OD1 ASP A -1 -20.847 7.218 -22.338 1.00 20.00 O ATOM 106 OD2 ASP A -1 -19.617 7.867 -24.030 1.00 20.00 O ATOM 0 H ASP A -1 -22.475 11.767 -23.975 1.00 20.00 H new ATOM 0 HA ASP A -1 -22.674 9.043 -23.170 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -19.991 10.217 -23.285 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -20.422 9.742 -21.654 1.00 20.00 H new ATOM 111 N ASP A 0 -21.931 11.597 -21.200 1.00 20.00 N ATOM 112 CA ASP A 0 -22.317 12.288 -19.967 1.00 20.00 C ATOM 113 C ASP A 0 -23.504 13.215 -20.181 1.00 20.00 C ATOM 114 O ASP A 0 -24.203 13.571 -19.232 1.00 20.00 O ATOM 115 CB ASP A 0 -21.143 13.092 -19.409 1.00 20.00 C ATOM 116 CG ASP A 0 -20.088 12.225 -18.758 1.00 20.00 C ATOM 117 OD1 ASP A 0 -19.306 11.582 -19.491 1.00 20.00 O ATOM 118 OD2 ASP A 0 -20.027 12.192 -17.508 1.00 20.00 O ATOM 0 H ASP A 0 -21.035 11.899 -21.584 1.00 20.00 H new ATOM 0 HA ASP A 0 -22.608 11.519 -19.252 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -20.687 13.666 -20.216 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -21.516 13.810 -18.679 1.00 20.00 H new ATOM 123 N LYS A 1 -23.729 13.601 -21.428 1.00 20.00 N ATOM 124 CA LYS A 1 -24.823 14.508 -21.769 1.00 20.00 C ATOM 125 C LYS A 1 -26.184 13.862 -21.510 1.00 20.00 C ATOM 126 O LYS A 1 -27.191 14.553 -21.378 1.00 20.00 O ATOM 127 CB LYS A 1 -24.689 14.970 -23.224 1.00 20.00 C ATOM 128 CG LYS A 1 -23.553 15.967 -23.417 1.00 20.00 C ATOM 129 CD LYS A 1 -23.100 16.062 -24.865 1.00 20.00 C ATOM 130 CE LYS A 1 -24.192 16.587 -25.779 1.00 20.00 C ATOM 131 NZ LYS A 1 -23.715 16.701 -27.180 1.00 20.00 N ATOM 0 H LYS A 1 -23.168 13.301 -22.225 1.00 20.00 H new ATOM 0 HA LYS A 1 -24.759 15.384 -21.123 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -24.520 14.103 -23.863 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -25.626 15.425 -23.545 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -23.876 16.951 -23.076 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -22.708 15.675 -22.794 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -22.231 16.716 -24.929 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -22.784 15.077 -25.209 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -25.054 15.921 -25.739 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -24.527 17.562 -25.426 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -24.403 17.246 -27.738 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -22.795 17.186 -27.195 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -23.612 15.751 -27.590 1.00 20.00 H new ATOM 145 N ASN A 2 -26.210 12.538 -21.438 1.00 20.00 N ATOM 146 CA ASN A 2 -27.407 11.825 -21.005 1.00 20.00 C ATOM 147 C ASN A 2 -27.180 11.215 -19.632 1.00 20.00 C ATOM 148 O ASN A 2 -28.103 11.117 -18.821 1.00 20.00 O ATOM 149 CB ASN A 2 -27.816 10.743 -22.007 1.00 20.00 C ATOM 150 CG ASN A 2 -28.604 11.306 -23.175 1.00 20.00 C ATOM 151 OD1 ASN A 2 -29.834 11.353 -23.142 1.00 20.00 O ATOM 152 ND2 ASN A 2 -27.909 11.740 -24.213 1.00 20.00 N ATOM 0 H ASN A 2 -25.420 11.937 -21.672 1.00 20.00 H new ATOM 0 HA ASN A 2 -28.223 12.545 -20.949 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -26.923 10.242 -22.382 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -28.415 9.988 -21.498 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -28.391 12.130 -25.023 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -26.891 11.685 -24.204 1.00 20.00 H new ATOM 159 N ARG A 3 -25.940 10.824 -19.367 1.00 20.00 N ATOM 160 CA ARG A 3 -25.560 10.310 -18.061 1.00 20.00 C ATOM 161 C ARG A 3 -25.334 11.474 -17.090 1.00 20.00 C ATOM 162 O ARG A 3 -24.221 11.721 -16.620 1.00 20.00 O ATOM 163 CB ARG A 3 -24.306 9.425 -18.183 1.00 20.00 C ATOM 164 CG ARG A 3 -23.801 8.861 -16.860 1.00 20.00 C ATOM 165 CD ARG A 3 -24.850 8.008 -16.168 1.00 20.00 C ATOM 166 NE ARG A 3 -24.423 7.603 -14.831 1.00 20.00 N ATOM 167 CZ ARG A 3 -25.171 6.894 -13.987 1.00 20.00 C ATOM 168 NH1 ARG A 3 -26.386 6.496 -14.342 1.00 20.00 N ATOM 169 NH2 ARG A 3 -24.702 6.589 -12.785 1.00 20.00 N ATOM 0 H ARG A 3 -25.178 10.854 -20.044 1.00 20.00 H new ATOM 0 HA ARG A 3 -26.366 9.691 -17.666 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -24.525 8.597 -18.857 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -23.508 10.008 -18.643 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -22.907 8.263 -17.038 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -23.510 9.681 -16.204 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -25.784 8.566 -16.098 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -25.052 7.122 -16.769 1.00 20.00 H new ATOM 0 HE ARG A 3 -23.491 7.881 -14.524 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -26.751 6.733 -15.265 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -26.955 5.953 -13.692 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -23.770 6.897 -12.508 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -25.273 6.046 -12.137 1.00 20.00 H new ATOM 183 N ALA A 4 -26.406 12.198 -16.811 1.00 20.00 N ATOM 184 CA ALA A 4 -26.369 13.304 -15.868 1.00 20.00 C ATOM 185 C ALA A 4 -26.928 12.858 -14.526 1.00 20.00 C ATOM 186 O ALA A 4 -27.566 13.627 -13.807 1.00 20.00 O ATOM 187 CB ALA A 4 -27.154 14.490 -16.408 1.00 20.00 C ATOM 0 H ALA A 4 -27.322 12.037 -17.230 1.00 20.00 H new ATOM 0 HA ALA A 4 -25.334 13.616 -15.730 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -27.116 15.309 -15.690 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -26.718 14.815 -17.353 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -28.191 14.197 -16.569 1.00 20.00 H new ATOM 193 N LEU A 5 -26.685 11.599 -14.200 1.00 20.00 N ATOM 194 CA LEU A 5 -27.202 11.010 -12.978 1.00 20.00 C ATOM 195 C LEU A 5 -26.107 10.929 -11.924 1.00 20.00 C ATOM 196 O LEU A 5 -25.060 10.321 -12.150 1.00 20.00 O ATOM 197 CB LEU A 5 -27.774 9.609 -13.244 1.00 20.00 C ATOM 198 CG LEU A 5 -29.095 9.552 -14.032 1.00 20.00 C ATOM 199 CD1 LEU A 5 -28.898 9.983 -15.478 1.00 20.00 C ATOM 200 CD2 LEU A 5 -29.689 8.154 -13.973 1.00 20.00 C ATOM 0 H LEU A 5 -26.129 10.962 -14.770 1.00 20.00 H new ATOM 0 HA LEU A 5 -28.005 11.649 -12.610 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -27.026 9.031 -13.787 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -27.925 9.113 -12.285 1.00 20.00 H new ATOM 0 HG LEU A 5 -29.790 10.250 -13.567 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -29.850 9.931 -16.006 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -28.523 11.006 -15.505 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -28.179 9.321 -15.960 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -30.623 8.131 -14.535 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -28.987 7.442 -14.407 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -29.884 7.885 -12.935 1.00 20.00 H new ATOM 212 N SER A 6 -26.343 11.554 -10.785 1.00 20.00 N ATOM 213 CA SER A 6 -25.407 11.509 -9.682 1.00 20.00 C ATOM 214 C SER A 6 -26.121 11.001 -8.434 1.00 20.00 C ATOM 215 O SER A 6 -26.789 11.766 -7.734 1.00 20.00 O ATOM 216 CB SER A 6 -24.801 12.897 -9.441 1.00 20.00 C ATOM 217 OG SER A 6 -23.793 12.858 -8.442 1.00 20.00 O ATOM 0 H SER A 6 -27.183 12.103 -10.601 1.00 20.00 H new ATOM 0 HA SER A 6 -24.592 10.826 -9.924 1.00 20.00 H new ATOM 0 HB2 SER A 6 -24.379 13.277 -10.371 1.00 20.00 H new ATOM 0 HB3 SER A 6 -25.586 13.591 -9.140 1.00 20.00 H new ATOM 0 HG SER A 6 -23.426 13.757 -8.313 1.00 20.00 H new ATOM 223 N PRO A 7 -26.018 9.690 -8.159 1.00 20.00 N ATOM 224 CA PRO A 7 -26.676 9.064 -7.009 1.00 20.00 C ATOM 225 C PRO A 7 -26.098 9.543 -5.681 1.00 20.00 C ATOM 226 O PRO A 7 -25.144 8.967 -5.159 1.00 20.00 O ATOM 227 CB PRO A 7 -26.412 7.560 -7.191 1.00 20.00 C ATOM 228 CG PRO A 7 -25.890 7.404 -8.581 1.00 20.00 C ATOM 229 CD PRO A 7 -25.258 8.714 -8.951 1.00 20.00 C ATOM 0 HA PRO A 7 -27.736 9.315 -6.974 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -25.690 7.198 -6.459 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -27.326 6.983 -7.049 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -25.162 6.594 -8.633 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -26.695 7.154 -9.272 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -24.197 8.733 -8.703 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -25.339 8.912 -10.020 1.00 20.00 H new ATOM 237 N MET A 8 -26.667 10.613 -5.149 1.00 20.00 N ATOM 238 CA MET A 8 -26.252 11.131 -3.856 1.00 20.00 C ATOM 239 C MET A 8 -27.088 10.494 -2.757 1.00 20.00 C ATOM 240 O MET A 8 -28.253 10.153 -2.973 1.00 20.00 O ATOM 241 CB MET A 8 -26.390 12.658 -3.802 1.00 20.00 C ATOM 242 CG MET A 8 -27.828 13.151 -3.865 1.00 20.00 C ATOM 243 SD MET A 8 -27.964 14.944 -3.719 1.00 20.00 S ATOM 244 CE MET A 8 -27.193 15.224 -2.124 1.00 20.00 C ATOM 0 H MET A 8 -27.419 11.140 -5.594 1.00 20.00 H new ATOM 0 HA MET A 8 -25.202 10.881 -3.706 1.00 20.00 H new ATOM 0 HB2 MET A 8 -25.932 13.022 -2.882 1.00 20.00 H new ATOM 0 HB3 MET A 8 -25.831 13.093 -4.630 1.00 20.00 H new ATOM 0 HG2 MET A 8 -28.274 12.834 -4.807 1.00 20.00 H new ATOM 0 HG3 MET A 8 -28.403 12.682 -3.066 1.00 20.00 H new ATOM 0 HE1 MET A 8 -27.491 16.200 -1.742 1.00 20.00 H new ATOM 0 HE2 MET A 8 -27.509 14.449 -1.426 1.00 20.00 H new ATOM 0 HE3 MET A 8 -26.109 15.193 -2.233 1.00 20.00 H new ATOM 254 N VAL A 9 -26.495 10.327 -1.588 1.00 20.00 N ATOM 255 CA VAL A 9 -27.193 9.732 -0.461 1.00 20.00 C ATOM 256 C VAL A 9 -27.291 10.724 0.692 1.00 20.00 C ATOM 257 O VAL A 9 -26.329 11.420 1.013 1.00 20.00 O ATOM 258 CB VAL A 9 -26.510 8.430 0.027 1.00 20.00 C ATOM 259 CG1 VAL A 9 -26.626 7.335 -1.024 1.00 20.00 C ATOM 260 CG2 VAL A 9 -25.049 8.671 0.378 1.00 20.00 C ATOM 0 H VAL A 9 -25.530 10.595 -1.394 1.00 20.00 H new ATOM 0 HA VAL A 9 -28.194 9.475 -0.807 1.00 20.00 H new ATOM 0 HB VAL A 9 -27.026 8.104 0.930 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -26.140 6.429 -0.661 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -27.678 7.128 -1.220 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -26.143 7.662 -1.945 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -24.598 7.739 0.717 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -24.518 9.032 -0.503 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -24.983 9.415 1.172 1.00 20.00 H new ATOM 270 N SER A 10 -28.467 10.808 1.289 1.00 20.00 N ATOM 271 CA SER A 10 -28.690 11.681 2.429 1.00 20.00 C ATOM 272 C SER A 10 -29.438 10.918 3.513 1.00 20.00 C ATOM 273 O SER A 10 -30.443 10.263 3.225 1.00 20.00 O ATOM 274 CB SER A 10 -29.483 12.918 2.003 1.00 20.00 C ATOM 275 OG SER A 10 -28.849 13.580 0.918 1.00 20.00 O ATOM 0 H SER A 10 -29.289 10.277 1.000 1.00 20.00 H new ATOM 0 HA SER A 10 -27.729 12.011 2.823 1.00 20.00 H new ATOM 0 HB2 SER A 10 -30.493 12.626 1.715 1.00 20.00 H new ATOM 0 HB3 SER A 10 -29.577 13.602 2.846 1.00 20.00 H new ATOM 0 HG SER A 10 -29.375 14.366 0.662 1.00 20.00 H new ATOM 281 N GLU A 11 -28.931 10.990 4.742 1.00 20.00 N ATOM 282 CA GLU A 11 -29.493 10.243 5.863 1.00 20.00 C ATOM 283 C GLU A 11 -29.486 8.755 5.541 1.00 20.00 C ATOM 284 O GLU A 11 -30.534 8.107 5.476 1.00 20.00 O ATOM 285 CB GLU A 11 -30.914 10.715 6.182 1.00 20.00 C ATOM 286 CG GLU A 11 -31.022 12.205 6.465 1.00 20.00 C ATOM 287 CD GLU A 11 -32.430 12.621 6.825 1.00 20.00 C ATOM 288 OE1 GLU A 11 -33.322 12.546 5.953 1.00 20.00 O ATOM 289 OE2 GLU A 11 -32.656 13.026 7.982 1.00 20.00 O ATOM 0 H GLU A 11 -28.124 11.564 4.987 1.00 20.00 H new ATOM 0 HA GLU A 11 -28.877 10.423 6.744 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -31.565 10.467 5.344 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -31.283 10.164 7.047 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -30.348 12.467 7.281 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -30.694 12.764 5.589 1.00 20.00 H new ATOM 296 N PHE A 12 -28.290 8.233 5.308 1.00 20.00 N ATOM 297 CA PHE A 12 -28.103 6.830 4.968 1.00 20.00 C ATOM 298 C PHE A 12 -28.323 5.957 6.196 1.00 20.00 C ATOM 299 O PHE A 12 -27.373 5.528 6.850 1.00 20.00 O ATOM 300 CB PHE A 12 -26.695 6.612 4.400 1.00 20.00 C ATOM 301 CG PHE A 12 -26.488 5.263 3.759 1.00 20.00 C ATOM 302 CD1 PHE A 12 -26.831 5.054 2.432 1.00 20.00 C ATOM 303 CD2 PHE A 12 -25.945 4.208 4.480 1.00 20.00 C ATOM 304 CE1 PHE A 12 -26.637 3.822 1.838 1.00 20.00 C ATOM 305 CE2 PHE A 12 -25.752 2.974 3.890 1.00 20.00 C ATOM 306 CZ PHE A 12 -26.098 2.781 2.569 1.00 20.00 C ATOM 0 H PHE A 12 -27.423 8.769 5.349 1.00 20.00 H new ATOM 0 HA PHE A 12 -28.834 6.549 4.209 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -26.489 7.388 3.662 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -25.968 6.735 5.203 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -27.255 5.864 1.856 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -25.670 4.354 5.514 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -26.907 3.673 0.803 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -25.331 2.161 4.463 1.00 20.00 H new ATOM 0 HZ PHE A 12 -25.948 1.817 2.106 1.00 20.00 H new ATOM 316 N GLU A 13 -29.580 5.716 6.522 1.00 20.00 N ATOM 317 CA GLU A 13 -29.917 4.916 7.685 1.00 20.00 C ATOM 318 C GLU A 13 -30.963 3.857 7.337 1.00 20.00 C ATOM 319 O GLU A 13 -30.733 2.667 7.536 1.00 20.00 O ATOM 320 CB GLU A 13 -30.403 5.821 8.819 1.00 20.00 C ATOM 321 CG GLU A 13 -30.569 5.105 10.146 1.00 20.00 C ATOM 322 CD GLU A 13 -30.997 6.044 11.252 1.00 20.00 C ATOM 323 OE1 GLU A 13 -30.116 6.654 11.894 1.00 20.00 O ATOM 324 OE2 GLU A 13 -32.216 6.176 11.485 1.00 20.00 O ATOM 0 H GLU A 13 -30.384 6.063 5.998 1.00 20.00 H new ATOM 0 HA GLU A 13 -29.022 4.393 8.020 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -29.696 6.641 8.945 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -31.357 6.264 8.534 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -31.309 4.312 10.039 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -29.628 4.629 10.420 1.00 20.00 H new ATOM 331 N THR A 14 -32.099 4.285 6.792 1.00 20.00 N ATOM 332 CA THR A 14 -33.166 3.357 6.428 1.00 20.00 C ATOM 333 C THR A 14 -33.030 2.896 4.980 1.00 20.00 C ATOM 334 O THR A 14 -34.025 2.685 4.280 1.00 20.00 O ATOM 335 CB THR A 14 -34.556 3.996 6.626 1.00 20.00 C ATOM 336 OG1 THR A 14 -34.621 5.254 5.939 1.00 20.00 O ATOM 337 CG2 THR A 14 -34.859 4.200 8.101 1.00 20.00 C ATOM 0 H THR A 14 -32.304 5.264 6.593 1.00 20.00 H new ATOM 0 HA THR A 14 -33.072 2.494 7.087 1.00 20.00 H new ATOM 0 HB THR A 14 -35.302 3.318 6.213 1.00 20.00 H new ATOM 0 HG1 THR A 14 -35.507 5.652 6.068 1.00 20.00 H new ATOM 0 HG21 THR A 14 -35.845 4.652 8.211 1.00 20.00 H new ATOM 0 HG22 THR A 14 -34.842 3.238 8.612 1.00 20.00 H new ATOM 0 HG23 THR A 14 -34.108 4.857 8.539 1.00 20.00 H new ATOM 345 N ILE A 15 -31.797 2.729 4.537 1.00 20.00 N ATOM 346 CA ILE A 15 -31.529 2.363 3.160 1.00 20.00 C ATOM 347 C ILE A 15 -31.147 0.885 3.071 1.00 20.00 C ATOM 348 O ILE A 15 -30.255 0.414 3.781 1.00 20.00 O ATOM 349 CB ILE A 15 -30.420 3.255 2.537 1.00 20.00 C ATOM 350 CG1 ILE A 15 -30.944 4.666 2.216 1.00 20.00 C ATOM 351 CG2 ILE A 15 -29.862 2.619 1.276 1.00 20.00 C ATOM 352 CD1 ILE A 15 -31.342 5.485 3.424 1.00 20.00 C ATOM 0 H ILE A 15 -30.963 2.842 5.114 1.00 20.00 H new ATOM 0 HA ILE A 15 -32.441 2.527 2.586 1.00 20.00 H new ATOM 0 HB ILE A 15 -29.624 3.343 3.276 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -30.175 5.207 1.665 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -31.806 4.576 1.555 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -29.087 3.261 0.857 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -29.435 1.646 1.518 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -30.663 2.493 0.547 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -31.698 6.463 3.099 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -32.136 4.971 3.966 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -30.479 5.612 4.078 1.00 20.00 H new ATOM 364 N GLU A 16 -31.829 0.168 2.181 1.00 20.00 N ATOM 365 CA GLU A 16 -31.694 -1.283 2.059 1.00 20.00 C ATOM 366 C GLU A 16 -30.304 -1.692 1.577 1.00 20.00 C ATOM 367 O GLU A 16 -29.937 -2.863 1.642 1.00 20.00 O ATOM 368 CB GLU A 16 -32.751 -1.826 1.097 1.00 20.00 C ATOM 369 CG GLU A 16 -34.180 -1.531 1.527 1.00 20.00 C ATOM 370 CD GLU A 16 -35.204 -2.139 0.596 1.00 20.00 C ATOM 371 OE1 GLU A 16 -35.567 -1.492 -0.407 1.00 20.00 O ATOM 372 OE2 GLU A 16 -35.656 -3.270 0.863 1.00 20.00 O ATOM 0 H GLU A 16 -32.492 0.577 1.523 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.840 -1.709 3.052 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.583 -1.399 0.108 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.625 -2.905 1.004 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -34.339 -1.914 2.535 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -34.328 -0.452 1.569 1.00 20.00 H new ATOM 379 N GLN A 17 -29.536 -0.723 1.101 1.00 20.00 N ATOM 380 CA GLN A 17 -28.176 -0.972 0.633 1.00 20.00 C ATOM 381 C GLN A 17 -27.276 -1.420 1.789 1.00 20.00 C ATOM 382 O GLN A 17 -26.236 -2.045 1.576 1.00 20.00 O ATOM 383 CB GLN A 17 -27.614 0.290 -0.026 1.00 20.00 C ATOM 384 CG GLN A 17 -26.292 0.083 -0.747 1.00 20.00 C ATOM 385 CD GLN A 17 -25.794 1.355 -1.403 1.00 20.00 C ATOM 386 OE1 GLN A 17 -26.122 1.644 -2.554 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.994 2.123 -0.682 1.00 20.00 N ATOM 0 H GLN A 17 -29.832 0.250 1.028 1.00 20.00 H new ATOM 0 HA GLN A 17 -28.202 -1.775 -0.104 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -28.347 0.671 -0.737 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -27.482 1.057 0.738 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -25.545 -0.275 -0.038 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -26.410 -0.692 -1.504 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -24.745 1.850 0.269 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.626 2.989 -1.077 1.00 20.00 H new ATOM 396 N GLU A 18 -27.682 -1.100 3.014 1.00 20.00 N ATOM 397 CA GLU A 18 -26.955 -1.548 4.197 1.00 20.00 C ATOM 398 C GLU A 18 -27.359 -2.980 4.536 1.00 20.00 C ATOM 399 O GLU A 18 -26.575 -3.754 5.089 1.00 20.00 O ATOM 400 CB GLU A 18 -27.221 -0.618 5.392 1.00 20.00 C ATOM 401 CG GLU A 18 -26.507 -1.043 6.667 1.00 20.00 C ATOM 402 CD GLU A 18 -26.738 -0.096 7.826 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.768 -0.236 8.520 1.00 20.00 O ATOM 404 OE2 GLU A 18 -25.880 0.779 8.062 1.00 20.00 O ATOM 0 H GLU A 18 -28.507 -0.534 3.213 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.887 -1.518 3.982 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.909 0.393 5.131 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.294 -0.582 5.581 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.844 -2.040 6.949 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.437 -1.112 6.471 1.00 20.00 H new ATOM 411 N ASN A 19 -28.585 -3.327 4.163 1.00 20.00 N ATOM 412 CA ASN A 19 -29.120 -4.669 4.383 1.00 20.00 C ATOM 413 C ASN A 19 -28.473 -5.654 3.422 1.00 20.00 C ATOM 414 O ASN A 19 -28.562 -6.868 3.595 1.00 20.00 O ATOM 415 CB ASN A 19 -30.641 -4.681 4.203 1.00 20.00 C ATOM 416 CG ASN A 19 -31.351 -3.792 5.207 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.546 -2.599 4.970 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.758 -4.366 6.329 1.00 20.00 N ATOM 0 H ASN A 19 -29.235 -2.691 3.702 1.00 20.00 H new ATOM 0 HA ASN A 19 -28.891 -4.968 5.406 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.887 -4.352 3.193 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.008 -5.703 4.304 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.252 -3.817 7.033 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.578 -5.357 6.489 1.00 20.00 H new ATOM 425 N SER A 20 -27.821 -5.120 2.400 1.00 20.00 N ATOM 426 CA SER A 20 -27.087 -5.942 1.456 1.00 20.00 C ATOM 427 C SER A 20 -25.937 -6.668 2.159 1.00 20.00 C ATOM 428 O SER A 20 -25.442 -7.681 1.671 1.00 20.00 O ATOM 429 CB SER A 20 -26.557 -5.072 0.318 1.00 20.00 C ATOM 430 OG SER A 20 -27.594 -4.266 -0.220 1.00 20.00 O ATOM 0 H SER A 20 -27.787 -4.119 2.205 1.00 20.00 H new ATOM 0 HA SER A 20 -27.759 -6.693 1.042 1.00 20.00 H new ATOM 0 HB2 SER A 20 -25.749 -4.438 0.684 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.137 -5.704 -0.465 1.00 20.00 H new ATOM 0 HG SER A 20 -27.236 -3.714 -0.946 1.00 20.00 H new ATOM 436 N TYR A 21 -25.534 -6.159 3.320 1.00 20.00 N ATOM 437 CA TYR A 21 -24.482 -6.790 4.099 1.00 20.00 C ATOM 438 C TYR A 21 -24.929 -8.162 4.591 1.00 20.00 C ATOM 439 O TYR A 21 -24.233 -9.156 4.386 1.00 20.00 O ATOM 440 CB TYR A 21 -24.073 -5.908 5.283 1.00 20.00 C ATOM 441 CG TYR A 21 -22.950 -6.495 6.113 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.720 -6.785 5.537 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.117 -6.762 7.467 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.691 -7.325 6.282 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.090 -7.302 8.221 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.879 -7.582 7.623 1.00 20.00 C ATOM 447 OH TYR A 21 -19.853 -8.119 8.366 1.00 20.00 O ATOM 0 H TYR A 21 -25.921 -5.313 3.738 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.614 -6.917 3.452 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.766 -4.931 4.909 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.941 -5.746 5.922 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.566 -6.584 4.487 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.064 -6.544 7.938 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.742 -7.545 5.816 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.236 -7.503 9.272 1.00 20.00 H new ATOM 0 HH TYR A 21 -20.148 -8.238 9.293 1.00 20.00 H new ATOM 457 N ASN A 22 -26.104 -8.225 5.214 1.00 20.00 N ATOM 458 CA ASN A 22 -26.624 -9.498 5.698 1.00 20.00 C ATOM 459 C ASN A 22 -27.067 -10.362 4.525 1.00 20.00 C ATOM 460 O ASN A 22 -27.132 -11.588 4.628 1.00 20.00 O ATOM 461 CB ASN A 22 -27.772 -9.313 6.703 1.00 20.00 C ATOM 462 CG ASN A 22 -28.965 -8.572 6.134 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.062 -7.350 6.250 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.889 -9.308 5.536 1.00 20.00 N ATOM 0 H ASN A 22 -26.705 -7.421 5.393 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.817 -10.003 6.229 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.097 -10.292 7.054 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -27.399 -8.771 7.572 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -30.722 -8.865 5.149 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.768 -10.318 5.462 1.00 20.00 H new ATOM 471 N GLU A 23 -27.352 -9.711 3.404 1.00 20.00 N ATOM 472 CA GLU A 23 -27.644 -10.409 2.159 1.00 20.00 C ATOM 473 C GLU A 23 -26.431 -11.238 1.727 1.00 20.00 C ATOM 474 O GLU A 23 -26.567 -12.366 1.260 1.00 20.00 O ATOM 475 CB GLU A 23 -28.017 -9.399 1.068 1.00 20.00 C ATOM 476 CG GLU A 23 -28.415 -10.032 -0.253 1.00 20.00 C ATOM 477 CD GLU A 23 -29.766 -10.713 -0.200 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.848 -11.847 0.313 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.751 -10.120 -0.688 1.00 20.00 O ATOM 0 H GLU A 23 -27.387 -8.694 3.332 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.488 -11.081 2.316 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.841 -8.782 1.426 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.170 -8.734 0.899 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.431 -9.265 -1.027 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -27.658 -10.761 -0.543 1.00 20.00 H new ATOM 486 N TRP A 24 -25.240 -10.679 1.902 1.00 20.00 N ATOM 487 CA TRP A 24 -24.012 -11.405 1.598 1.00 20.00 C ATOM 488 C TRP A 24 -23.703 -12.435 2.681 1.00 20.00 C ATOM 489 O TRP A 24 -23.106 -13.477 2.405 1.00 20.00 O ATOM 490 CB TRP A 24 -22.828 -10.446 1.441 1.00 20.00 C ATOM 491 CG TRP A 24 -22.788 -9.751 0.114 1.00 20.00 C ATOM 492 CD1 TRP A 24 -23.297 -8.523 -0.189 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.196 -10.249 -1.092 1.00 20.00 C ATOM 494 NE1 TRP A 24 -23.060 -8.226 -1.508 1.00 20.00 N ATOM 495 CE2 TRP A 24 -22.385 -9.269 -2.084 1.00 20.00 C ATOM 496 CE3 TRP A 24 -21.524 -11.428 -1.429 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -21.927 -9.434 -3.389 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -21.068 -11.589 -2.723 1.00 20.00 C ATOM 499 CH2 TRP A 24 -21.272 -10.597 -3.690 1.00 20.00 C ATOM 0 H TRP A 24 -25.098 -9.731 2.251 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.167 -11.925 0.653 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -22.871 -9.697 2.232 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -21.901 -11.002 1.578 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -23.812 -7.878 0.507 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -23.341 -7.368 -1.982 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.364 -12.200 -0.690 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -22.083 -8.671 -4.137 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -20.546 -12.495 -2.993 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -20.905 -10.753 -4.694 1.00 20.00 H new ATOM 510 N LEU A 25 -24.125 -12.151 3.907 1.00 20.00 N ATOM 511 CA LEU A 25 -23.870 -13.047 5.028 1.00 20.00 C ATOM 512 C LEU A 25 -24.638 -14.356 4.868 1.00 20.00 C ATOM 513 O LEU A 25 -24.088 -15.435 5.084 1.00 20.00 O ATOM 514 CB LEU A 25 -24.234 -12.375 6.356 1.00 20.00 C ATOM 515 CG LEU A 25 -23.403 -11.133 6.705 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.919 -10.481 7.978 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.931 -11.495 6.855 1.00 20.00 C ATOM 0 H LEU A 25 -24.645 -11.308 4.150 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.804 -13.275 5.036 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.286 -12.093 6.326 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.122 -13.105 7.158 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.502 -10.419 5.887 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -23.316 -9.603 8.207 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.958 -10.182 7.838 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -23.854 -11.191 8.803 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.360 -10.600 7.102 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.816 -12.230 7.651 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.562 -11.914 5.919 1.00 20.00 H new ATOM 529 N ARG A 26 -25.901 -14.266 4.464 1.00 20.00 N ATOM 530 CA ARG A 26 -26.707 -15.461 4.245 1.00 20.00 C ATOM 531 C ARG A 26 -26.166 -16.257 3.056 1.00 20.00 C ATOM 532 O ARG A 26 -26.418 -17.456 2.922 1.00 20.00 O ATOM 533 CB ARG A 26 -28.192 -15.094 4.051 1.00 20.00 C ATOM 534 CG ARG A 26 -28.482 -14.218 2.838 1.00 20.00 C ATOM 535 CD ARG A 26 -28.628 -15.035 1.562 1.00 20.00 C ATOM 536 NE ARG A 26 -28.622 -14.192 0.373 1.00 20.00 N ATOM 537 CZ ARG A 26 -28.252 -14.606 -0.835 1.00 20.00 C ATOM 538 NH1 ARG A 26 -27.986 -15.889 -1.049 1.00 20.00 N ATOM 539 NH2 ARG A 26 -28.189 -13.740 -1.837 1.00 20.00 N ATOM 0 H ARG A 26 -26.385 -13.386 4.283 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.640 -16.093 5.131 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.770 -16.014 3.964 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.544 -14.580 4.945 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -29.397 -13.651 3.011 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -27.677 -13.494 2.714 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -27.815 -15.758 1.499 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.557 -15.603 1.599 1.00 20.00 H new ATOM 0 HE ARG A 26 -28.921 -13.222 0.474 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -28.065 -16.561 -0.285 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -27.702 -16.203 -1.977 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -28.424 -12.760 -1.680 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -27.906 -14.054 -2.765 1.00 20.00 H new ATOM 553 N ALA A 27 -25.410 -15.579 2.202 1.00 20.00 N ATOM 554 CA ALA A 27 -24.790 -16.215 1.054 1.00 20.00 C ATOM 555 C ALA A 27 -23.536 -16.975 1.466 1.00 20.00 C ATOM 556 O ALA A 27 -23.092 -17.882 0.766 1.00 20.00 O ATOM 557 CB ALA A 27 -24.456 -15.179 -0.004 1.00 20.00 C ATOM 0 H ALA A 27 -25.212 -14.582 2.287 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.498 -16.930 0.635 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.992 -15.669 -0.860 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.370 -14.679 -0.325 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.766 -14.444 0.411 1.00 20.00 H new ATOM 563 N LYS A 28 -22.970 -16.600 2.607 1.00 20.00 N ATOM 564 CA LYS A 28 -21.772 -17.260 3.113 1.00 20.00 C ATOM 565 C LYS A 28 -22.120 -18.638 3.660 1.00 20.00 C ATOM 566 O LYS A 28 -21.445 -19.626 3.360 1.00 20.00 O ATOM 567 CB LYS A 28 -21.096 -16.414 4.200 1.00 20.00 C ATOM 568 CG LYS A 28 -19.854 -17.067 4.796 1.00 20.00 C ATOM 569 CD LYS A 28 -19.173 -16.171 5.820 1.00 20.00 C ATOM 570 CE LYS A 28 -20.021 -15.973 7.070 1.00 20.00 C ATOM 571 NZ LYS A 28 -20.265 -17.252 7.788 1.00 20.00 N ATOM 0 H LYS A 28 -23.319 -15.845 3.198 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.072 -17.374 2.285 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.821 -15.447 3.778 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.813 -16.221 4.998 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.131 -18.010 5.267 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.151 -17.304 3.998 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.214 -16.607 6.100 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.963 -15.201 5.369 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -19.522 -15.272 7.739 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -20.975 -15.525 6.793 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -20.649 -17.052 8.733 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -20.946 -17.827 7.252 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -19.370 -17.774 7.882 1.00 20.00 H new ATOM 585 N VAL A 29 -23.178 -18.700 4.462 1.00 20.00 N ATOM 586 CA VAL A 29 -23.650 -19.968 4.994 1.00 20.00 C ATOM 587 C VAL A 29 -24.243 -20.820 3.870 1.00 20.00 C ATOM 588 O VAL A 29 -24.003 -22.029 3.808 1.00 20.00 O ATOM 589 CB VAL A 29 -24.678 -19.764 6.137 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.924 -19.036 5.659 1.00 20.00 C ATOM 591 CG2 VAL A 29 -25.041 -21.094 6.774 1.00 20.00 C ATOM 0 H VAL A 29 -23.722 -17.888 4.756 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.796 -20.494 5.422 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.206 -19.134 6.891 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.617 -18.915 6.492 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.647 -18.055 5.272 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -26.403 -19.615 4.870 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.763 -20.929 7.574 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -25.476 -21.751 6.021 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -24.144 -21.557 7.185 1.00 20.00 H new ATOM 601 N ALA A 30 -24.979 -20.166 2.973 1.00 20.00 N ATOM 602 CA ALA A 30 -25.490 -20.784 1.747 1.00 20.00 C ATOM 603 C ALA A 30 -26.152 -22.138 1.992 1.00 20.00 C ATOM 604 O ALA A 30 -25.772 -23.144 1.393 1.00 20.00 O ATOM 605 CB ALA A 30 -24.367 -20.920 0.730 1.00 20.00 C ATOM 0 H ALA A 30 -25.240 -19.185 3.076 1.00 20.00 H new ATOM 0 HA ALA A 30 -26.266 -20.126 1.357 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -24.753 -21.380 -0.179 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -23.967 -19.934 0.496 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -23.575 -21.544 1.144 1.00 20.00 H new ATOM 611 N THR A 31 -27.131 -22.165 2.875 1.00 20.00 N ATOM 612 CA THR A 31 -27.903 -23.371 3.108 1.00 20.00 C ATOM 613 C THR A 31 -29.071 -23.442 2.127 1.00 20.00 C ATOM 614 O THR A 31 -28.982 -24.092 1.083 1.00 20.00 O ATOM 615 CB THR A 31 -28.416 -23.415 4.556 1.00 20.00 C ATOM 616 OG1 THR A 31 -28.806 -22.094 4.962 1.00 20.00 O ATOM 617 CG2 THR A 31 -27.349 -23.953 5.495 1.00 20.00 C ATOM 0 H THR A 31 -27.411 -21.366 3.443 1.00 20.00 H new ATOM 0 HA THR A 31 -27.256 -24.234 2.949 1.00 20.00 H new ATOM 0 HB THR A 31 -29.276 -24.084 4.603 1.00 20.00 H new ATOM 0 HG1 THR A 31 -29.135 -22.119 5.885 1.00 20.00 H new ATOM 0 HG21 THR A 31 -27.737 -23.974 6.513 1.00 20.00 H new ATOM 0 HG22 THR A 31 -27.073 -24.963 5.191 1.00 20.00 H new ATOM 0 HG23 THR A 31 -26.471 -23.309 5.455 1.00 20.00 H new ATOM 625 N SER A 32 -30.151 -22.749 2.457 1.00 20.00 N ATOM 626 CA SER A 32 -31.285 -22.612 1.554 1.00 20.00 C ATOM 627 C SER A 32 -31.657 -21.140 1.435 1.00 20.00 C ATOM 628 O SER A 32 -32.710 -20.780 0.907 1.00 20.00 O ATOM 629 CB SER A 32 -32.477 -23.431 2.059 1.00 20.00 C ATOM 630 OG SER A 32 -32.119 -24.794 2.239 1.00 20.00 O ATOM 0 H SER A 32 -30.266 -22.270 3.350 1.00 20.00 H new ATOM 0 HA SER A 32 -31.010 -22.993 0.570 1.00 20.00 H new ATOM 0 HB2 SER A 32 -32.833 -23.017 3.002 1.00 20.00 H new ATOM 0 HB3 SER A 32 -33.300 -23.358 1.348 1.00 20.00 H new ATOM 0 HG SER A 32 -32.896 -25.296 2.563 1.00 20.00 H new ATOM 636 N LEU A 33 -30.758 -20.294 1.924 1.00 20.00 N ATOM 637 CA LEU A 33 -30.974 -18.856 1.940 1.00 20.00 C ATOM 638 C LEU A 33 -30.503 -18.226 0.635 1.00 20.00 C ATOM 639 O LEU A 33 -29.349 -17.813 0.509 1.00 20.00 O ATOM 640 CB LEU A 33 -30.239 -18.222 3.125 1.00 20.00 C ATOM 641 CG LEU A 33 -30.677 -18.711 4.508 1.00 20.00 C ATOM 642 CD1 LEU A 33 -29.751 -18.166 5.580 1.00 20.00 C ATOM 643 CD2 LEU A 33 -32.115 -18.300 4.797 1.00 20.00 C ATOM 0 H LEU A 33 -29.864 -20.586 2.318 1.00 20.00 H new ATOM 0 HA LEU A 33 -32.043 -18.672 2.047 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -29.172 -18.412 3.012 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -30.377 -17.142 3.080 1.00 20.00 H new ATOM 0 HG LEU A 33 -30.622 -19.800 4.516 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -30.076 -18.523 6.557 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -28.733 -18.507 5.389 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -29.778 -17.076 5.564 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -32.404 -18.658 5.785 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -32.196 -17.213 4.767 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -32.775 -18.734 4.046 1.00 20.00 H new ATOM 655 N ALA A 34 -31.400 -18.184 -0.333 1.00 20.00 N ATOM 656 CA ALA A 34 -31.142 -17.531 -1.607 1.00 20.00 C ATOM 657 C ALA A 34 -32.459 -17.062 -2.207 1.00 20.00 C ATOM 658 O ALA A 34 -32.900 -17.560 -3.242 1.00 20.00 O ATOM 659 CB ALA A 34 -30.418 -18.471 -2.561 1.00 20.00 C ATOM 0 H ALA A 34 -32.328 -18.601 -0.260 1.00 20.00 H new ATOM 0 HA ALA A 34 -30.496 -16.669 -1.442 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -30.236 -17.960 -3.507 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -29.467 -18.773 -2.123 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -31.032 -19.354 -2.738 1.00 20.00 H new ATOM 665 N ASP A 35 -33.090 -16.114 -1.534 1.00 20.00 N ATOM 666 CA ASP A 35 -34.408 -15.637 -1.931 1.00 20.00 C ATOM 667 C ASP A 35 -34.294 -14.552 -2.992 1.00 20.00 C ATOM 668 O ASP A 35 -33.681 -13.512 -2.755 1.00 20.00 O ATOM 669 CB ASP A 35 -35.165 -15.093 -0.717 1.00 20.00 C ATOM 670 CG ASP A 35 -36.571 -14.642 -1.063 1.00 20.00 C ATOM 671 OD1 ASP A 35 -37.459 -15.511 -1.167 1.00 20.00 O ATOM 672 OD2 ASP A 35 -36.800 -13.420 -1.200 1.00 20.00 O ATOM 0 H ASP A 35 -32.710 -15.656 -0.706 1.00 20.00 H new ATOM 0 HA ASP A 35 -34.959 -16.479 -2.350 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -35.213 -15.864 0.052 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -34.612 -14.255 -0.294 1.00 20.00 H new ATOM 677 N PRO A 36 -34.852 -14.787 -4.187 1.00 20.00 N ATOM 678 CA PRO A 36 -34.910 -13.775 -5.238 1.00 20.00 C ATOM 679 C PRO A 36 -35.892 -12.665 -4.878 1.00 20.00 C ATOM 680 O PRO A 36 -37.075 -12.737 -5.214 1.00 20.00 O ATOM 681 CB PRO A 36 -35.398 -14.546 -6.478 1.00 20.00 C ATOM 682 CG PRO A 36 -35.320 -15.992 -6.111 1.00 20.00 C ATOM 683 CD PRO A 36 -35.455 -16.053 -4.618 1.00 20.00 C ATOM 0 HA PRO A 36 -33.948 -13.288 -5.395 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -36.418 -14.263 -6.739 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -34.775 -14.328 -7.345 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -36.113 -16.560 -6.597 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -34.373 -16.425 -6.434 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -36.497 -16.131 -4.309 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -34.933 -16.913 -4.199 1.00 20.00 H new ATOM 691 N ARG A 37 -35.394 -11.647 -4.184 1.00 20.00 N ATOM 692 CA ARG A 37 -36.238 -10.551 -3.722 1.00 20.00 C ATOM 693 C ARG A 37 -36.887 -9.748 -4.868 1.00 20.00 C ATOM 694 O ARG A 37 -38.027 -9.316 -4.712 1.00 20.00 O ATOM 695 CB ARG A 37 -35.480 -9.611 -2.770 1.00 20.00 C ATOM 696 CG ARG A 37 -34.334 -8.839 -3.405 1.00 20.00 C ATOM 697 CD ARG A 37 -33.828 -7.744 -2.485 1.00 20.00 C ATOM 698 NE ARG A 37 -34.849 -6.721 -2.260 1.00 20.00 N ATOM 699 CZ ARG A 37 -34.809 -5.818 -1.285 1.00 20.00 C ATOM 700 NH1 ARG A 37 -33.795 -5.797 -0.425 1.00 20.00 N ATOM 701 NH2 ARG A 37 -35.794 -4.938 -1.168 1.00 20.00 N ATOM 0 H ARG A 37 -34.410 -11.558 -3.929 1.00 20.00 H new ATOM 0 HA ARG A 37 -37.050 -11.026 -3.172 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -36.188 -8.898 -2.348 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -35.087 -10.199 -1.941 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -33.519 -9.523 -3.641 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -34.666 -8.401 -4.346 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -33.529 -8.178 -1.531 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -32.940 -7.284 -2.918 1.00 20.00 H new ATOM 0 HE ARG A 37 -35.647 -6.699 -2.895 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -33.040 -6.477 -0.510 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -33.772 -5.101 0.320 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -36.575 -4.957 -1.823 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -35.770 -4.242 -0.423 1.00 20.00 H new ATOM 715 N PRO A 38 -36.210 -9.519 -6.031 1.00 20.00 N ATOM 716 CA PRO A 38 -36.826 -8.774 -7.134 1.00 20.00 C ATOM 717 C PRO A 38 -38.108 -9.437 -7.624 1.00 20.00 C ATOM 718 O PRO A 38 -38.129 -10.636 -7.907 1.00 20.00 O ATOM 719 CB PRO A 38 -35.764 -8.794 -8.243 1.00 20.00 C ATOM 720 CG PRO A 38 -34.846 -9.905 -7.877 1.00 20.00 C ATOM 721 CD PRO A 38 -34.835 -9.935 -6.379 1.00 20.00 C ATOM 0 HA PRO A 38 -37.111 -7.768 -6.827 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -36.217 -8.962 -9.220 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -35.232 -7.844 -8.297 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -35.194 -10.853 -8.286 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -33.845 -9.735 -8.274 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -34.605 -10.929 -5.996 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -34.090 -9.254 -5.967 1.00 20.00 H new ATOM 729 N ALA A 39 -39.175 -8.660 -7.708 1.00 20.00 N ATOM 730 CA ALA A 39 -40.442 -9.158 -8.216 1.00 20.00 C ATOM 731 C ALA A 39 -40.370 -9.316 -9.728 1.00 20.00 C ATOM 732 O ALA A 39 -40.576 -8.358 -10.475 1.00 20.00 O ATOM 733 CB ALA A 39 -41.573 -8.222 -7.823 1.00 20.00 C ATOM 0 H ALA A 39 -39.189 -7.679 -7.430 1.00 20.00 H new ATOM 0 HA ALA A 39 -40.642 -10.135 -7.776 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -42.516 -8.608 -8.210 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -41.628 -8.154 -6.737 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -41.387 -7.232 -8.240 1.00 20.00 H new ATOM 739 N ILE A 40 -40.044 -10.520 -10.169 1.00 20.00 N ATOM 740 CA ILE A 40 -39.884 -10.805 -11.587 1.00 20.00 C ATOM 741 C ILE A 40 -40.545 -12.127 -11.962 1.00 20.00 C ATOM 742 O ILE A 40 -40.177 -13.185 -11.449 1.00 20.00 O ATOM 743 CB ILE A 40 -38.396 -10.846 -12.003 1.00 20.00 C ATOM 744 CG1 ILE A 40 -37.554 -11.560 -10.937 1.00 20.00 C ATOM 745 CG2 ILE A 40 -37.879 -9.439 -12.261 1.00 20.00 C ATOM 746 CD1 ILE A 40 -36.092 -11.690 -11.297 1.00 20.00 C ATOM 0 H ILE A 40 -39.884 -11.322 -9.560 1.00 20.00 H new ATOM 0 HA ILE A 40 -40.373 -9.991 -12.123 1.00 20.00 H new ATOM 0 HB ILE A 40 -38.309 -11.413 -12.930 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -37.639 -11.016 -9.996 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -37.966 -12.555 -10.769 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -36.830 -9.485 -12.553 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -38.459 -8.979 -13.062 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -37.977 -8.843 -11.354 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -35.564 -12.205 -10.494 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -35.994 -12.261 -12.220 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -35.662 -10.698 -11.436 1.00 20.00 H new ATOM 758 N PRO A 41 -41.544 -12.077 -12.853 1.00 20.00 N ATOM 759 CA PRO A 41 -42.227 -13.278 -13.343 1.00 20.00 C ATOM 760 C PRO A 41 -41.251 -14.221 -14.046 1.00 20.00 C ATOM 761 O PRO A 41 -40.511 -13.804 -14.935 1.00 20.00 O ATOM 762 CB PRO A 41 -43.254 -12.731 -14.343 1.00 20.00 C ATOM 763 CG PRO A 41 -43.411 -11.292 -13.996 1.00 20.00 C ATOM 764 CD PRO A 41 -42.084 -10.849 -13.455 1.00 20.00 C ATOM 0 HA PRO A 41 -42.678 -13.857 -12.537 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -42.907 -12.853 -15.369 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -44.203 -13.261 -14.262 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -43.689 -10.708 -14.873 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -44.200 -11.153 -13.257 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -41.435 -10.467 -14.243 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -42.194 -10.053 -12.718 1.00 20.00 H new ATOM 772 N HIS A 42 -41.260 -15.495 -13.647 1.00 20.00 N ATOM 773 CA HIS A 42 -40.286 -16.471 -14.150 1.00 20.00 C ATOM 774 C HIS A 42 -40.373 -16.633 -15.666 1.00 20.00 C ATOM 775 O HIS A 42 -39.390 -16.987 -16.312 1.00 20.00 O ATOM 776 CB HIS A 42 -40.441 -17.841 -13.462 1.00 20.00 C ATOM 777 CG HIS A 42 -41.796 -18.476 -13.609 1.00 20.00 C ATOM 778 ND1 HIS A 42 -42.190 -19.169 -14.735 1.00 20.00 N ATOM 779 CD2 HIS A 42 -42.848 -18.526 -12.756 1.00 20.00 C ATOM 780 CE1 HIS A 42 -43.423 -19.612 -14.567 1.00 20.00 C ATOM 781 NE2 HIS A 42 -43.842 -19.235 -13.377 1.00 20.00 N ATOM 0 H HIS A 42 -41.929 -15.876 -12.978 1.00 20.00 H new ATOM 0 HA HIS A 42 -39.300 -16.075 -13.906 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -39.692 -18.521 -13.867 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -40.224 -17.724 -12.400 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -42.894 -18.088 -11.770 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -43.991 -20.186 -15.284 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -44.760 -19.438 -12.981 1.00 20.00 H new ATOM 790 N ASP A 43 -41.542 -16.363 -16.231 1.00 20.00 N ATOM 791 CA ASP A 43 -41.735 -16.484 -17.672 1.00 20.00 C ATOM 792 C ASP A 43 -41.198 -15.248 -18.387 1.00 20.00 C ATOM 793 O ASP A 43 -40.880 -15.292 -19.576 1.00 20.00 O ATOM 794 CB ASP A 43 -43.217 -16.696 -18.011 1.00 20.00 C ATOM 795 CG ASP A 43 -44.062 -15.453 -17.812 1.00 20.00 C ATOM 796 OD1 ASP A 43 -44.151 -14.960 -16.668 1.00 20.00 O ATOM 797 OD2 ASP A 43 -44.639 -14.961 -18.800 1.00 20.00 O ATOM 0 H ASP A 43 -42.369 -16.060 -15.717 1.00 20.00 H new ATOM 0 HA ASP A 43 -41.179 -17.356 -18.016 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -43.302 -17.023 -19.047 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -43.613 -17.499 -17.390 1.00 20.00 H new ATOM 802 N GLU A 44 -41.079 -14.158 -17.647 1.00 20.00 N ATOM 803 CA GLU A 44 -40.545 -12.914 -18.183 1.00 20.00 C ATOM 804 C GLU A 44 -39.028 -12.877 -18.011 1.00 20.00 C ATOM 805 O GLU A 44 -38.307 -12.329 -18.847 1.00 20.00 O ATOM 806 CB GLU A 44 -41.210 -11.720 -17.487 1.00 20.00 C ATOM 807 CG GLU A 44 -40.661 -10.364 -17.905 1.00 20.00 C ATOM 808 CD GLU A 44 -40.692 -10.143 -19.405 1.00 20.00 C ATOM 809 OE1 GLU A 44 -41.761 -10.339 -20.020 1.00 20.00 O ATOM 810 OE2 GLU A 44 -39.651 -9.755 -19.970 1.00 20.00 O ATOM 0 H GLU A 44 -41.347 -14.109 -16.664 1.00 20.00 H new ATOM 0 HA GLU A 44 -40.765 -12.855 -19.249 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -42.280 -11.745 -17.693 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -41.090 -11.830 -16.409 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -41.239 -9.579 -17.417 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -39.634 -10.271 -17.552 1.00 20.00 H new ATOM 817 N VAL A 45 -38.550 -13.469 -16.924 1.00 20.00 N ATOM 818 CA VAL A 45 -37.116 -13.591 -16.678 1.00 20.00 C ATOM 819 C VAL A 45 -36.452 -14.354 -17.815 1.00 20.00 C ATOM 820 O VAL A 45 -35.378 -13.986 -18.282 1.00 20.00 O ATOM 821 CB VAL A 45 -36.832 -14.308 -15.341 1.00 20.00 C ATOM 822 CG1 VAL A 45 -35.337 -14.485 -15.115 1.00 20.00 C ATOM 823 CG2 VAL A 45 -37.452 -13.539 -14.190 1.00 20.00 C ATOM 0 H VAL A 45 -39.136 -13.874 -16.195 1.00 20.00 H new ATOM 0 HA VAL A 45 -36.703 -12.584 -16.622 1.00 20.00 H new ATOM 0 HB VAL A 45 -37.283 -15.299 -15.389 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -35.170 -14.993 -14.165 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -34.915 -15.081 -15.924 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -34.854 -13.508 -15.094 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -37.244 -14.056 -13.253 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -37.028 -12.535 -14.153 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -38.530 -13.472 -14.336 1.00 20.00 H new ATOM 833 N GLU A 46 -37.135 -15.393 -18.278 1.00 20.00 N ATOM 834 CA GLU A 46 -36.654 -16.229 -19.376 1.00 20.00 C ATOM 835 C GLU A 46 -36.453 -15.399 -20.649 1.00 20.00 C ATOM 836 O GLU A 46 -35.660 -15.753 -21.520 1.00 20.00 O ATOM 837 CB GLU A 46 -37.655 -17.375 -19.609 1.00 20.00 C ATOM 838 CG GLU A 46 -37.223 -18.426 -20.626 1.00 20.00 C ATOM 839 CD GLU A 46 -37.600 -18.073 -22.051 1.00 20.00 C ATOM 840 OE1 GLU A 46 -38.792 -17.790 -22.306 1.00 20.00 O ATOM 841 OE2 GLU A 46 -36.712 -18.085 -22.929 1.00 20.00 O ATOM 0 H GLU A 46 -38.039 -15.682 -17.904 1.00 20.00 H new ATOM 0 HA GLU A 46 -35.684 -16.651 -19.112 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -37.841 -17.871 -18.656 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -38.602 -16.946 -19.936 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -36.143 -18.557 -20.565 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -37.676 -19.382 -20.364 1.00 20.00 H new ATOM 848 N ARG A 47 -37.151 -14.278 -20.736 1.00 20.00 N ATOM 849 CA ARG A 47 -37.076 -13.428 -21.915 1.00 20.00 C ATOM 850 C ARG A 47 -35.875 -12.482 -21.846 1.00 20.00 C ATOM 851 O ARG A 47 -34.910 -12.630 -22.596 1.00 20.00 O ATOM 852 CB ARG A 47 -38.364 -12.614 -22.067 1.00 20.00 C ATOM 853 CG ARG A 47 -39.626 -13.461 -22.108 1.00 20.00 C ATOM 854 CD ARG A 47 -40.866 -12.598 -22.276 1.00 20.00 C ATOM 855 NE ARG A 47 -40.878 -11.903 -23.561 1.00 20.00 N ATOM 856 CZ ARG A 47 -41.294 -10.648 -23.730 1.00 20.00 C ATOM 857 NH1 ARG A 47 -41.673 -9.917 -22.690 1.00 20.00 N ATOM 858 NH2 ARG A 47 -41.311 -10.117 -24.947 1.00 20.00 N ATOM 0 H ARG A 47 -37.775 -13.935 -20.006 1.00 20.00 H new ATOM 0 HA ARG A 47 -36.952 -14.077 -22.782 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -38.437 -11.910 -21.238 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -38.304 -12.024 -22.982 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -39.562 -14.173 -22.931 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -39.707 -14.042 -21.189 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -41.756 -13.222 -22.193 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -40.912 -11.868 -21.468 1.00 20.00 H new ATOM 0 HE ARG A 47 -40.547 -12.411 -24.381 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -41.648 -10.314 -21.751 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -41.990 -8.958 -22.829 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -41.006 -10.669 -25.749 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -41.629 -9.157 -25.080 1.00 20.00 H new ATOM 872 N ARG A 48 -35.936 -11.521 -20.932 1.00 20.00 N ATOM 873 CA ARG A 48 -34.950 -10.446 -20.885 1.00 20.00 C ATOM 874 C ARG A 48 -33.756 -10.779 -19.985 1.00 20.00 C ATOM 875 O ARG A 48 -32.618 -10.455 -20.316 1.00 20.00 O ATOM 876 CB ARG A 48 -35.620 -9.150 -20.410 1.00 20.00 C ATOM 877 CG ARG A 48 -34.653 -7.998 -20.189 1.00 20.00 C ATOM 878 CD ARG A 48 -33.951 -7.596 -21.475 1.00 20.00 C ATOM 879 NE ARG A 48 -32.961 -6.548 -21.250 1.00 20.00 N ATOM 880 CZ ARG A 48 -32.220 -6.008 -22.213 1.00 20.00 C ATOM 881 NH1 ARG A 48 -32.345 -6.430 -23.467 1.00 20.00 N ATOM 882 NH2 ARG A 48 -31.341 -5.060 -21.921 1.00 20.00 N ATOM 0 H ARG A 48 -36.657 -11.463 -20.213 1.00 20.00 H new ATOM 0 HA ARG A 48 -34.561 -10.318 -21.895 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -36.366 -8.848 -21.145 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -36.152 -9.348 -19.479 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -35.194 -7.141 -19.787 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -33.911 -8.284 -19.444 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -33.464 -8.468 -21.910 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -34.689 -7.249 -22.198 1.00 20.00 H new ATOM 0 HE ARG A 48 -32.829 -6.209 -20.297 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -33.010 -7.170 -23.692 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -31.776 -6.014 -24.204 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -31.233 -4.744 -20.957 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -30.773 -4.646 -22.660 1.00 20.00 H new ATOM 896 N MET A 49 -34.011 -11.423 -18.859 1.00 20.00 N ATOM 897 CA MET A 49 -32.972 -11.634 -17.850 1.00 20.00 C ATOM 898 C MET A 49 -32.194 -12.928 -18.061 1.00 20.00 C ATOM 899 O MET A 49 -31.134 -13.102 -17.473 1.00 20.00 O ATOM 900 CB MET A 49 -33.573 -11.620 -16.448 1.00 20.00 C ATOM 901 CG MET A 49 -34.034 -10.245 -15.994 1.00 20.00 C ATOM 902 SD MET A 49 -34.590 -10.222 -14.280 1.00 20.00 S ATOM 903 CE MET A 49 -33.083 -10.693 -13.431 1.00 20.00 C ATOM 0 H MET A 49 -34.923 -11.810 -18.615 1.00 20.00 H new ATOM 0 HA MET A 49 -32.268 -10.809 -17.958 1.00 20.00 H new ATOM 0 HB2 MET A 49 -34.420 -12.305 -16.419 1.00 20.00 H new ATOM 0 HB3 MET A 49 -32.833 -11.997 -15.742 1.00 20.00 H new ATOM 0 HG2 MET A 49 -33.216 -9.535 -16.115 1.00 20.00 H new ATOM 0 HG3 MET A 49 -34.846 -9.908 -16.639 1.00 20.00 H new ATOM 0 HE1 MET A 49 -33.106 -10.312 -12.410 1.00 20.00 H new ATOM 0 HE2 MET A 49 -33.001 -11.780 -13.411 1.00 20.00 H new ATOM 0 HE3 MET A 49 -32.224 -10.274 -13.955 1.00 20.00 H new ATOM 913 N ALA A 50 -32.739 -13.829 -18.871 1.00 20.00 N ATOM 914 CA ALA A 50 -32.186 -15.175 -19.066 1.00 20.00 C ATOM 915 C ALA A 50 -30.657 -15.208 -19.128 1.00 20.00 C ATOM 916 O ALA A 50 -30.018 -15.874 -18.313 1.00 20.00 O ATOM 917 CB ALA A 50 -32.768 -15.797 -20.325 1.00 20.00 C ATOM 0 H ALA A 50 -33.582 -13.650 -19.417 1.00 20.00 H new ATOM 0 HA ALA A 50 -32.472 -15.755 -18.188 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -32.353 -16.795 -20.463 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -33.852 -15.864 -20.230 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -32.517 -15.178 -21.186 1.00 20.00 H new ATOM 923 N GLU A 51 -30.068 -14.486 -20.074 1.00 20.00 N ATOM 924 CA GLU A 51 -28.622 -14.534 -20.254 1.00 20.00 C ATOM 925 C GLU A 51 -27.903 -13.802 -19.128 1.00 20.00 C ATOM 926 O GLU A 51 -26.811 -14.193 -18.723 1.00 20.00 O ATOM 927 CB GLU A 51 -28.215 -13.961 -21.610 1.00 20.00 C ATOM 928 CG GLU A 51 -28.804 -14.723 -22.787 1.00 20.00 C ATOM 929 CD GLU A 51 -28.158 -14.349 -24.100 1.00 20.00 C ATOM 930 OE1 GLU A 51 -27.082 -14.902 -24.414 1.00 20.00 O ATOM 931 OE2 GLU A 51 -28.717 -13.503 -24.826 1.00 20.00 O ATOM 0 H GLU A 51 -30.561 -13.869 -20.720 1.00 20.00 H new ATOM 0 HA GLU A 51 -28.323 -15.582 -20.224 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -28.531 -12.919 -21.666 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -27.128 -13.969 -21.688 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -28.685 -15.793 -22.619 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -29.875 -14.527 -22.844 1.00 20.00 H new ATOM 938 N ARG A 52 -28.531 -12.757 -18.611 1.00 20.00 N ATOM 939 CA ARG A 52 -27.996 -12.022 -17.468 1.00 20.00 C ATOM 940 C ARG A 52 -27.911 -12.947 -16.252 1.00 20.00 C ATOM 941 O ARG A 52 -26.932 -12.930 -15.502 1.00 20.00 O ATOM 942 CB ARG A 52 -28.890 -10.814 -17.160 1.00 20.00 C ATOM 943 CG ARG A 52 -28.467 -10.011 -15.939 1.00 20.00 C ATOM 944 CD ARG A 52 -27.165 -9.260 -16.171 1.00 20.00 C ATOM 945 NE ARG A 52 -26.795 -8.456 -15.007 1.00 20.00 N ATOM 946 CZ ARG A 52 -25.882 -7.484 -15.023 1.00 20.00 C ATOM 947 NH1 ARG A 52 -25.248 -7.174 -16.147 1.00 20.00 N ATOM 948 NH2 ARG A 52 -25.612 -6.816 -13.910 1.00 20.00 N ATOM 0 H ARG A 52 -29.416 -12.395 -18.965 1.00 20.00 H new ATOM 0 HA ARG A 52 -26.995 -11.663 -17.706 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -28.899 -10.154 -18.028 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -29.912 -11.163 -17.014 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -29.253 -9.301 -15.682 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -28.352 -10.681 -15.087 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -26.368 -9.970 -16.392 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -27.267 -8.614 -17.043 1.00 20.00 H new ATOM 0 HE ARG A 52 -27.267 -8.652 -14.124 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -25.458 -7.681 -17.007 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -24.551 -6.429 -16.151 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -26.102 -7.046 -13.045 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -24.914 -6.072 -13.918 1.00 20.00 H new ATOM 962 N PHE A 53 -28.942 -13.766 -16.087 1.00 20.00 N ATOM 963 CA PHE A 53 -28.999 -14.731 -15.003 1.00 20.00 C ATOM 964 C PHE A 53 -27.972 -15.835 -15.230 1.00 20.00 C ATOM 965 O PHE A 53 -27.341 -16.318 -14.292 1.00 20.00 O ATOM 966 CB PHE A 53 -30.411 -15.320 -14.906 1.00 20.00 C ATOM 967 CG PHE A 53 -30.599 -16.274 -13.760 1.00 20.00 C ATOM 968 CD1 PHE A 53 -30.655 -15.813 -12.452 1.00 20.00 C ATOM 969 CD2 PHE A 53 -30.719 -17.636 -13.990 1.00 20.00 C ATOM 970 CE1 PHE A 53 -30.827 -16.691 -11.399 1.00 20.00 C ATOM 971 CE2 PHE A 53 -30.892 -18.517 -12.940 1.00 20.00 C ATOM 972 CZ PHE A 53 -30.947 -18.045 -11.644 1.00 20.00 C ATOM 0 H PHE A 53 -29.758 -13.778 -16.699 1.00 20.00 H new ATOM 0 HA PHE A 53 -28.764 -14.230 -14.064 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -31.128 -14.505 -14.808 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -30.642 -15.837 -15.837 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -30.563 -14.755 -12.255 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -30.677 -18.012 -15.001 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -30.868 -16.319 -10.386 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -30.984 -19.576 -13.133 1.00 20.00 H new ATOM 0 HZ PHE A 53 -31.084 -18.733 -10.823 1.00 20.00 H new ATOM 982 N ALA A 54 -27.799 -16.217 -16.488 1.00 20.00 N ATOM 983 CA ALA A 54 -26.819 -17.225 -16.857 1.00 20.00 C ATOM 984 C ALA A 54 -25.404 -16.756 -16.529 1.00 20.00 C ATOM 985 O ALA A 54 -24.585 -17.533 -16.044 1.00 20.00 O ATOM 986 CB ALA A 54 -26.940 -17.558 -18.334 1.00 20.00 C ATOM 0 H ALA A 54 -28.329 -15.840 -17.274 1.00 20.00 H new ATOM 0 HA ALA A 54 -27.019 -18.126 -16.277 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -26.201 -18.314 -18.598 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -27.940 -17.940 -18.540 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -26.766 -16.659 -18.925 1.00 20.00 H new ATOM 992 N LYS A 55 -25.132 -15.481 -16.783 1.00 20.00 N ATOM 993 CA LYS A 55 -23.814 -14.905 -16.530 1.00 20.00 C ATOM 994 C LYS A 55 -23.457 -14.943 -15.046 1.00 20.00 C ATOM 995 O LYS A 55 -22.297 -15.144 -14.687 1.00 20.00 O ATOM 996 CB LYS A 55 -23.751 -13.459 -17.034 1.00 20.00 C ATOM 997 CG LYS A 55 -23.899 -13.318 -18.543 1.00 20.00 C ATOM 998 CD LYS A 55 -23.852 -11.862 -18.965 1.00 20.00 C ATOM 999 CE LYS A 55 -24.030 -11.704 -20.466 1.00 20.00 C ATOM 1000 NZ LYS A 55 -24.031 -10.276 -20.881 1.00 20.00 N ATOM 0 H LYS A 55 -25.810 -14.822 -17.166 1.00 20.00 H new ATOM 0 HA LYS A 55 -23.089 -15.511 -17.073 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -24.537 -12.882 -16.547 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -22.800 -13.021 -16.731 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -23.103 -13.870 -19.042 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -24.842 -13.761 -18.862 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -24.634 -11.308 -18.446 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -22.899 -11.427 -18.664 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -23.228 -12.231 -20.983 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -24.967 -12.171 -20.771 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -24.155 -10.214 -21.912 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -24.812 -9.778 -20.408 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -23.127 -9.836 -20.614 1.00 20.00 H new ATOM 1014 N MET A 56 -24.450 -14.747 -14.188 1.00 20.00 N ATOM 1015 CA MET A 56 -24.216 -14.734 -12.747 1.00 20.00 C ATOM 1016 C MET A 56 -24.254 -16.151 -12.178 1.00 20.00 C ATOM 1017 O MET A 56 -23.744 -16.405 -11.086 1.00 20.00 O ATOM 1018 CB MET A 56 -25.246 -13.851 -12.031 1.00 20.00 C ATOM 1019 CG MET A 56 -26.651 -14.433 -12.011 1.00 20.00 C ATOM 1020 SD MET A 56 -27.860 -13.337 -11.241 1.00 20.00 S ATOM 1021 CE MET A 56 -27.783 -11.919 -12.335 1.00 20.00 C ATOM 0 H MET A 56 -25.421 -14.595 -14.461 1.00 20.00 H new ATOM 0 HA MET A 56 -23.224 -14.316 -12.576 1.00 20.00 H new ATOM 0 HB2 MET A 56 -24.917 -13.686 -11.005 1.00 20.00 H new ATOM 0 HB3 MET A 56 -25.274 -12.876 -12.517 1.00 20.00 H new ATOM 0 HG2 MET A 56 -26.963 -14.648 -13.033 1.00 20.00 H new ATOM 0 HG3 MET A 56 -26.637 -15.382 -11.476 1.00 20.00 H new ATOM 0 HE1 MET A 56 -28.636 -11.267 -12.146 1.00 20.00 H new ATOM 0 HE2 MET A 56 -26.859 -11.370 -12.154 1.00 20.00 H new ATOM 0 HE3 MET A 56 -27.808 -12.257 -13.371 1.00 20.00 H new ATOM 1031 N ARG A 57 -24.866 -17.061 -12.923 1.00 20.00 N ATOM 1032 CA ARG A 57 -24.958 -18.457 -12.514 1.00 20.00 C ATOM 1033 C ARG A 57 -23.682 -19.200 -12.896 1.00 20.00 C ATOM 1034 O ARG A 57 -23.144 -19.983 -12.113 1.00 20.00 O ATOM 1035 CB ARG A 57 -26.172 -19.119 -13.170 1.00 20.00 C ATOM 1036 CG ARG A 57 -26.426 -20.544 -12.711 1.00 20.00 C ATOM 1037 CD ARG A 57 -27.614 -21.149 -13.439 1.00 20.00 C ATOM 1038 NE ARG A 57 -27.892 -22.516 -13.005 1.00 20.00 N ATOM 1039 CZ ARG A 57 -28.319 -23.483 -13.817 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -28.455 -23.253 -15.117 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -28.591 -24.686 -13.328 1.00 20.00 N ATOM 0 H ARG A 57 -25.309 -16.856 -13.819 1.00 20.00 H new ATOM 0 HA ARG A 57 -25.078 -18.500 -11.431 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -27.057 -18.518 -12.961 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -26.034 -19.116 -14.251 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -25.538 -21.151 -12.890 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -26.609 -20.556 -11.637 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -28.495 -20.530 -13.269 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -27.422 -21.143 -14.512 1.00 20.00 H new ATOM 0 HE ARG A 57 -27.751 -22.744 -12.021 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -28.232 -22.333 -15.498 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -28.782 -23.996 -15.735 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -28.473 -24.870 -12.332 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -28.918 -25.427 -13.948 1.00 20.00 H new ATOM 1055 N LYS A 58 -23.197 -18.933 -14.103 1.00 20.00 N ATOM 1056 CA LYS A 58 -21.956 -19.529 -14.584 1.00 20.00 C ATOM 1057 C LYS A 58 -20.758 -18.807 -13.979 1.00 20.00 C ATOM 1058 O LYS A 58 -19.968 -18.185 -14.690 1.00 20.00 O ATOM 1059 CB LYS A 58 -21.880 -19.464 -16.113 1.00 20.00 C ATOM 1060 CG LYS A 58 -22.973 -20.247 -16.827 1.00 20.00 C ATOM 1061 CD LYS A 58 -22.829 -20.158 -18.342 1.00 20.00 C ATOM 1062 CE LYS A 58 -23.074 -18.743 -18.856 1.00 20.00 C ATOM 1063 NZ LYS A 58 -22.838 -18.632 -20.321 1.00 20.00 N ATOM 0 H LYS A 58 -23.646 -18.305 -14.769 1.00 20.00 H new ATOM 0 HA LYS A 58 -21.939 -20.575 -14.277 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -21.934 -18.421 -16.424 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -20.909 -19.842 -16.434 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -22.934 -21.292 -16.518 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -23.949 -19.863 -16.531 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -21.829 -20.481 -18.631 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -23.534 -20.843 -18.814 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -24.099 -18.448 -18.631 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -22.419 -18.048 -18.330 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -23.016 -17.654 -20.628 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -21.853 -18.888 -20.534 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -23.480 -19.276 -20.826 1.00 20.00 H new ATOM 1077 N GLU A 59 -20.635 -18.882 -12.664 1.00 20.00 N ATOM 1078 CA GLU A 59 -19.542 -18.226 -11.965 1.00 20.00 C ATOM 1079 C GLU A 59 -18.486 -19.236 -11.544 1.00 20.00 C ATOM 1080 O GLU A 59 -17.506 -18.891 -10.878 1.00 20.00 O ATOM 1081 CB GLU A 59 -20.054 -17.460 -10.740 1.00 20.00 C ATOM 1082 CG GLU A 59 -20.644 -18.345 -9.653 1.00 20.00 C ATOM 1083 CD GLU A 59 -20.864 -17.590 -8.363 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -19.867 -17.142 -7.760 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -22.029 -17.439 -7.943 1.00 20.00 O ATOM 0 H GLU A 59 -21.279 -19.391 -12.059 1.00 20.00 H new ATOM 0 HA GLU A 59 -19.089 -17.513 -12.654 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -19.232 -16.883 -10.317 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -20.812 -16.746 -11.063 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -21.592 -18.758 -9.997 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -19.977 -19.188 -9.470 1.00 20.00 H new ATOM 1092 N ARG A 60 -18.686 -20.484 -11.939 1.00 20.00 N ATOM 1093 CA ARG A 60 -17.738 -21.546 -11.630 1.00 20.00 C ATOM 1094 C ARG A 60 -16.723 -21.668 -12.760 1.00 20.00 C ATOM 1095 O ARG A 60 -16.546 -22.739 -13.344 1.00 20.00 O ATOM 1096 CB ARG A 60 -18.464 -22.879 -11.420 1.00 20.00 C ATOM 1097 CG ARG A 60 -19.534 -22.830 -10.343 1.00 20.00 C ATOM 1098 CD ARG A 60 -20.219 -24.179 -10.185 1.00 20.00 C ATOM 1099 NE ARG A 60 -21.315 -24.134 -9.219 1.00 20.00 N ATOM 1100 CZ ARG A 60 -22.161 -25.142 -9.012 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -22.008 -26.284 -9.667 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -23.153 -25.009 -8.143 1.00 20.00 N ATOM 0 H ARG A 60 -19.498 -20.788 -12.476 1.00 20.00 H new ATOM 0 HA ARG A 60 -17.219 -21.296 -10.705 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -18.922 -23.185 -12.361 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -17.732 -23.643 -11.158 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -19.086 -22.534 -9.395 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -20.274 -22.071 -10.596 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -20.603 -24.505 -11.152 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -19.487 -24.921 -9.866 1.00 20.00 H new ATOM 0 HE ARG A 60 -21.439 -23.282 -8.672 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -21.241 -26.392 -10.331 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -22.657 -27.055 -9.507 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -23.269 -24.134 -7.632 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -23.800 -25.782 -7.985 1.00 20.00 H new ATOM 1116 N SER A 61 -16.076 -20.550 -13.065 1.00 20.00 N ATOM 1117 CA SER A 61 -15.128 -20.460 -14.166 1.00 20.00 C ATOM 1118 C SER A 61 -13.878 -21.302 -13.900 1.00 20.00 C ATOM 1119 O SER A 61 -12.900 -20.813 -13.333 1.00 20.00 O ATOM 1120 CB SER A 61 -14.739 -18.996 -14.360 1.00 20.00 C ATOM 1121 OG SER A 61 -15.894 -18.174 -14.438 1.00 20.00 O ATOM 0 H SER A 61 -16.196 -19.676 -12.552 1.00 20.00 H new ATOM 0 HA SER A 61 -15.600 -20.849 -15.068 1.00 20.00 H new ATOM 0 HB2 SER A 61 -14.110 -18.669 -13.532 1.00 20.00 H new ATOM 0 HB3 SER A 61 -14.149 -18.889 -15.270 1.00 20.00 H new ATOM 0 HG SER A 61 -15.623 -17.240 -14.560 1.00 20.00 H new ATOM 1127 N LYS A 62 -13.913 -22.564 -14.307 1.00 20.00 N ATOM 1128 CA LYS A 62 -12.775 -23.452 -14.124 1.00 20.00 C ATOM 1129 C LYS A 62 -11.815 -23.357 -15.306 1.00 20.00 C ATOM 1130 O LYS A 62 -11.719 -24.267 -16.129 1.00 20.00 O ATOM 1131 CB LYS A 62 -13.239 -24.902 -13.917 1.00 20.00 C ATOM 1132 CG LYS A 62 -14.231 -25.404 -14.957 1.00 20.00 C ATOM 1133 CD LYS A 62 -14.539 -26.877 -14.749 1.00 20.00 C ATOM 1134 CE LYS A 62 -15.559 -27.391 -15.751 1.00 20.00 C ATOM 1135 NZ LYS A 62 -15.838 -28.838 -15.563 1.00 20.00 N ATOM 0 H LYS A 62 -14.716 -22.994 -14.765 1.00 20.00 H new ATOM 0 HA LYS A 62 -12.242 -23.135 -13.228 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -12.365 -25.554 -13.923 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -13.693 -24.987 -12.930 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -15.152 -24.824 -14.896 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -13.824 -25.252 -15.957 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -13.620 -27.456 -14.838 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -14.915 -27.030 -13.737 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -16.486 -26.826 -15.648 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -15.192 -27.220 -16.763 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -16.538 -29.151 -16.265 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -14.959 -29.380 -15.686 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -16.212 -28.998 -14.606 1.00 20.00 H new ATOM 1149 N GLN A 63 -11.115 -22.239 -15.397 1.00 20.00 N ATOM 1150 CA GLN A 63 -10.136 -22.043 -16.452 1.00 20.00 C ATOM 1151 C GLN A 63 -8.733 -22.311 -15.926 1.00 20.00 C ATOM 1152 O GLN A 63 -8.163 -23.362 -16.281 1.00 20.00 O ATOM 1153 CB GLN A 63 -10.247 -20.636 -17.058 1.00 20.00 C ATOM 1154 CG GLN A 63 -10.314 -19.514 -16.035 1.00 20.00 C ATOM 1155 CD GLN A 63 -10.431 -18.148 -16.678 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -9.430 -17.481 -16.945 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -11.654 -17.726 -16.942 1.00 20.00 N ATOM 1158 OXT GLN A 63 -8.214 -21.495 -15.133 1.00 20.00 O ATOM 0 H GLN A 63 -11.207 -21.453 -14.753 1.00 20.00 H new ATOM 0 HA GLN A 63 -10.343 -22.756 -17.250 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -9.390 -20.466 -17.710 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -11.138 -20.593 -17.685 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -11.168 -19.677 -15.378 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -9.421 -19.543 -15.410 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -12.457 -18.309 -16.705 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -11.796 -16.817 -17.383 1.00 20.00 H new TER 1167 GLN A 63