USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 443 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 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 7 MET CE :methyl 136:sc= -0.1 (180deg=-0.882) USER MOD Set 2.2: A 9 HIS : no HE2:sc= -0.0385 X(o=-0.14,f=-0.51) USER MOD Set 3.1: A 2 ASN :FLIP amide:sc= 0.37 F(o=-0.32,f=0.85) USER MOD Set 3.2: A 5 GLN : amide:sc= 0.479 K(o=0.85,f=-2.5!) USER MOD Single : A 1 LYS N :NH3+ -139:sc= -0.204 (180deg=-1.37!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN :FLIP amide:sc= 0.417 F(o=-0.1,f=0.42) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.54) USER MOD Single : A 43 THR OG1 : rot 98:sc= 1.26 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 152:sc= -0.492 (180deg=-2.49!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -70:sc= 0.761 USER MOD Single : A 55 GLN : amide:sc= -1.39 K(o=-1.4,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -31.433 18.796 18.990 1.00 0.00 N ATOM 2 CA LYS A 1 -29.950 18.957 18.963 1.00 0.00 C ATOM 3 C LYS A 1 -29.270 17.658 19.403 1.00 0.00 C ATOM 4 O LYS A 1 -29.703 17.002 20.329 1.00 0.00 O ATOM 5 CB LYS A 1 -29.656 20.081 19.955 1.00 0.00 C ATOM 6 CG LYS A 1 -30.300 21.378 19.460 1.00 0.00 C ATOM 7 CD LYS A 1 -30.061 22.491 20.482 1.00 0.00 C ATOM 8 CE LYS A 1 -30.793 23.758 20.037 1.00 0.00 C ATOM 9 NZ LYS A 1 -30.527 24.751 21.116 1.00 0.00 N ATOM 0 H1 LYS A 1 -31.847 19.255 18.154 1.00 0.00 H new ATOM 0 H2 LYS A 1 -31.673 17.784 18.983 1.00 0.00 H new ATOM 0 H3 LYS A 1 -31.814 19.236 19.852 1.00 0.00 H new ATOM 0 HA LYS A 1 -29.577 19.188 17.965 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -30.044 19.822 20.940 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -28.579 20.214 20.062 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -29.879 21.660 18.495 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -31.370 21.231 19.310 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -30.416 22.179 21.464 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -28.993 22.689 20.577 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -30.423 24.111 19.075 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -31.862 23.577 19.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -30.997 25.650 20.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -30.896 24.390 22.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -29.502 24.907 21.199 1.00 0.00 H new ATOM 25 N ASN A 2 -28.207 17.281 18.745 1.00 0.00 N ATOM 26 CA ASN A 2 -27.501 16.024 19.126 1.00 0.00 C ATOM 27 C ASN A 2 -26.502 16.297 20.255 1.00 0.00 C ATOM 28 O ASN A 2 -25.700 17.207 20.181 1.00 0.00 O ATOM 29 CB ASN A 2 -26.767 15.583 17.859 1.00 0.00 C ATOM 30 CG ASN A 2 -27.784 15.113 16.818 1.00 0.00 C ATOM 31 OD1 ASN A 2 -28.727 14.283 17.174 1.00 0.00 O flip ATOM 32 ND2 ASN A 2 -27.721 15.504 15.670 1.00 0.00 N flip ATOM 0 H ASN A 2 -27.797 17.789 17.961 1.00 0.00 H new ATOM 0 HA ASN A 2 -28.188 15.259 19.488 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -26.178 16.409 17.461 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -26.070 14.778 18.091 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -26.984 16.152 15.392 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -28.405 15.184 14.984 1.00 0.00 H new ATOM 39 N GLU A 3 -26.546 15.516 21.299 1.00 0.00 N ATOM 40 CA GLU A 3 -25.598 15.730 22.431 1.00 0.00 C ATOM 41 C GLU A 3 -24.222 15.157 22.080 1.00 0.00 C ATOM 42 O GLU A 3 -23.244 15.404 22.757 1.00 0.00 O ATOM 43 CB GLU A 3 -26.211 14.973 23.609 1.00 0.00 C ATOM 44 CG GLU A 3 -27.433 15.737 24.125 1.00 0.00 C ATOM 45 CD GLU A 3 -26.986 17.077 24.711 1.00 0.00 C ATOM 46 OE1 GLU A 3 -25.840 17.172 25.117 1.00 0.00 O ATOM 47 OE2 GLU A 3 -27.799 17.987 24.743 1.00 0.00 O ATOM 0 H GLU A 3 -27.196 14.739 21.418 1.00 0.00 H new ATOM 0 HA GLU A 3 -25.454 16.786 22.658 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -26.501 13.969 23.299 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -25.476 14.861 24.406 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -28.142 15.901 23.314 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -27.949 15.149 24.885 1.00 0.00 H new ATOM 54 N ASP A 4 -24.141 14.392 21.026 1.00 0.00 N ATOM 55 CA ASP A 4 -22.830 13.802 20.629 1.00 0.00 C ATOM 56 C ASP A 4 -22.802 13.552 19.119 1.00 0.00 C ATOM 57 O ASP A 4 -23.088 12.467 18.654 1.00 0.00 O ATOM 58 CB ASP A 4 -22.742 12.480 21.393 1.00 0.00 C ATOM 59 CG ASP A 4 -21.286 12.204 21.771 1.00 0.00 C ATOM 60 OD1 ASP A 4 -20.413 12.778 21.142 1.00 0.00 O ATOM 61 OD2 ASP A 4 -21.069 11.425 22.683 1.00 0.00 O ATOM 0 H ASP A 4 -24.926 14.150 20.422 1.00 0.00 H new ATOM 0 HA ASP A 4 -21.993 14.461 20.859 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -23.359 12.525 22.290 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -23.130 11.667 20.779 1.00 0.00 H new ATOM 66 N GLN A 5 -22.461 14.549 18.349 1.00 0.00 N ATOM 67 CA GLN A 5 -22.418 14.368 16.869 1.00 0.00 C ATOM 68 C GLN A 5 -21.120 14.946 16.300 1.00 0.00 C ATOM 69 O GLN A 5 -21.116 15.982 15.665 1.00 0.00 O ATOM 70 CB GLN A 5 -23.626 15.142 16.342 1.00 0.00 C ATOM 71 CG GLN A 5 -23.811 14.845 14.852 1.00 0.00 C ATOM 72 CD GLN A 5 -24.946 15.709 14.299 1.00 0.00 C ATOM 73 OE1 GLN A 5 -25.322 16.698 14.899 1.00 0.00 O ATOM 74 NE2 GLN A 5 -25.514 15.377 13.171 1.00 0.00 N ATOM 0 H GLN A 5 -22.210 15.481 18.680 1.00 0.00 H new ATOM 0 HA GLN A 5 -22.448 13.317 16.581 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -24.522 14.859 16.894 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -23.482 16.211 16.496 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -22.887 15.050 14.312 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -24.039 13.789 14.706 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -25.200 14.548 12.666 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -26.272 15.947 12.794 1.00 0.00 H new ATOM 83 N GLU A 6 -20.017 14.284 16.521 1.00 0.00 N ATOM 84 CA GLU A 6 -18.720 14.795 15.991 1.00 0.00 C ATOM 85 C GLU A 6 -18.409 16.172 16.583 1.00 0.00 C ATOM 86 O GLU A 6 -17.667 16.948 16.016 1.00 0.00 O ATOM 87 CB GLU A 6 -18.925 14.895 14.479 1.00 0.00 C ATOM 88 CG GLU A 6 -19.595 13.618 13.969 1.00 0.00 C ATOM 89 CD GLU A 6 -19.713 13.677 12.444 1.00 0.00 C ATOM 90 OE1 GLU A 6 -19.694 14.774 11.910 1.00 0.00 O ATOM 91 OE2 GLU A 6 -19.820 12.624 11.837 1.00 0.00 O ATOM 0 H GLU A 6 -19.958 13.411 17.046 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.884 14.145 16.249 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -19.542 15.762 14.242 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.967 15.040 13.980 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.013 12.746 14.266 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -20.583 13.509 14.417 1.00 0.00 H new ATOM 98 N MET A 7 -18.972 16.480 17.720 1.00 0.00 N ATOM 99 CA MET A 7 -18.706 17.807 18.347 1.00 0.00 C ATOM 100 C MET A 7 -17.440 17.740 19.203 1.00 0.00 C ATOM 101 O MET A 7 -17.172 16.751 19.857 1.00 0.00 O ATOM 102 CB MET A 7 -19.931 18.087 19.217 1.00 0.00 C ATOM 103 CG MET A 7 -21.139 18.368 18.322 1.00 0.00 C ATOM 104 SD MET A 7 -22.622 18.537 19.346 1.00 0.00 S ATOM 105 CE MET A 7 -22.182 20.111 20.123 1.00 0.00 C ATOM 0 H MET A 7 -19.603 15.872 18.241 1.00 0.00 H new ATOM 0 HA MET A 7 -18.547 18.591 17.607 1.00 0.00 H new ATOM 0 HB2 MET A 7 -20.134 17.233 19.863 1.00 0.00 H new ATOM 0 HB3 MET A 7 -19.741 18.941 19.868 1.00 0.00 H new ATOM 0 HG2 MET A 7 -20.975 19.280 17.747 1.00 0.00 H new ATOM 0 HG3 MET A 7 -21.270 17.558 17.604 1.00 0.00 H new ATOM 0 HE1 MET A 7 -23.052 20.768 20.132 1.00 0.00 H new ATOM 0 HE2 MET A 7 -21.852 19.932 21.146 1.00 0.00 H new ATOM 0 HE3 MET A 7 -21.377 20.582 19.560 1.00 0.00 H new ATOM 115 N CYS A 8 -16.656 18.784 19.204 1.00 0.00 N ATOM 116 CA CYS A 8 -15.406 18.777 20.018 1.00 0.00 C ATOM 117 C CYS A 8 -15.429 19.921 21.035 1.00 0.00 C ATOM 118 O CYS A 8 -15.720 21.053 20.704 1.00 0.00 O ATOM 119 CB CYS A 8 -14.278 18.982 19.007 1.00 0.00 C ATOM 120 SG CYS A 8 -12.687 18.969 19.867 1.00 0.00 S ATOM 0 H CYS A 8 -16.826 19.641 18.677 1.00 0.00 H new ATOM 0 HA CYS A 8 -15.286 17.853 20.584 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -14.303 18.194 18.254 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -14.412 19.928 18.483 1.00 0.00 H new ATOM 125 N HIS A 9 -15.124 19.634 22.271 1.00 0.00 N ATOM 126 CA HIS A 9 -15.128 20.706 23.308 1.00 0.00 C ATOM 127 C HIS A 9 -13.785 20.741 24.042 1.00 0.00 C ATOM 128 O HIS A 9 -13.512 21.641 24.811 1.00 0.00 O ATOM 129 CB HIS A 9 -16.253 20.323 24.269 1.00 0.00 C ATOM 130 CG HIS A 9 -17.560 20.289 23.526 1.00 0.00 C ATOM 131 ND1 HIS A 9 -18.052 21.391 22.845 1.00 0.00 N ATOM 132 CD2 HIS A 9 -18.488 19.293 23.349 1.00 0.00 C ATOM 133 CE1 HIS A 9 -19.226 21.036 22.294 1.00 0.00 C ATOM 134 NE2 HIS A 9 -19.540 19.767 22.570 1.00 0.00 N ATOM 0 H HIS A 9 -14.872 18.705 22.608 1.00 0.00 H new ATOM 0 HA HIS A 9 -15.278 21.695 22.876 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -16.050 19.348 24.713 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -16.307 21.041 25.087 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -17.605 22.305 22.775 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -18.413 18.294 23.753 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -19.841 21.696 21.700 1.00 0.00 H new ATOM 142 N GLU A 10 -12.944 19.768 23.814 1.00 0.00 N ATOM 143 CA GLU A 10 -11.622 19.753 24.504 1.00 0.00 C ATOM 144 C GLU A 10 -10.647 20.703 23.802 1.00 0.00 C ATOM 145 O GLU A 10 -9.873 21.391 24.437 1.00 0.00 O ATOM 146 CB GLU A 10 -11.139 18.305 24.410 1.00 0.00 C ATOM 147 CG GLU A 10 -10.745 17.988 22.968 1.00 0.00 C ATOM 148 CD GLU A 10 -10.639 16.472 22.790 1.00 0.00 C ATOM 149 OE1 GLU A 10 -10.622 15.777 23.792 1.00 0.00 O ATOM 150 OE2 GLU A 10 -10.579 16.032 21.654 1.00 0.00 O ATOM 0 H GLU A 10 -13.114 18.986 23.182 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.691 20.087 25.539 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.287 18.152 25.072 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.926 17.627 24.740 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.486 18.395 22.280 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.793 18.461 22.728 1.00 0.00 H new ATOM 157 N PHE A 11 -10.683 20.758 22.497 1.00 0.00 N ATOM 158 CA PHE A 11 -9.761 21.678 21.768 1.00 0.00 C ATOM 159 C PHE A 11 -10.345 23.090 21.754 1.00 0.00 C ATOM 160 O PHE A 11 -9.645 24.058 21.538 1.00 0.00 O ATOM 161 CB PHE A 11 -9.680 21.134 20.344 1.00 0.00 C ATOM 162 CG PHE A 11 -8.710 19.976 20.287 1.00 0.00 C ATOM 163 CD1 PHE A 11 -9.158 18.671 20.523 1.00 0.00 C ATOM 164 CD2 PHE A 11 -7.359 20.208 19.996 1.00 0.00 C ATOM 165 CE1 PHE A 11 -8.258 17.601 20.467 1.00 0.00 C ATOM 166 CE2 PHE A 11 -6.460 19.138 19.940 1.00 0.00 C ATOM 167 CZ PHE A 11 -6.910 17.835 20.175 1.00 0.00 C ATOM 0 H PHE A 11 -11.308 20.209 21.907 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.779 21.728 22.238 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.667 20.809 20.013 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.359 21.922 19.663 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -10.199 18.490 20.748 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.011 21.214 19.815 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.604 16.594 20.649 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.419 19.318 19.715 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.216 17.009 20.131 1.00 0.00 H new ATOM 177 N GLN A 12 -11.624 23.216 21.981 1.00 0.00 N ATOM 178 CA GLN A 12 -12.240 24.571 21.982 1.00 0.00 C ATOM 179 C GLN A 12 -11.374 25.519 22.806 1.00 0.00 C ATOM 180 O GLN A 12 -11.106 26.636 22.412 1.00 0.00 O ATOM 181 CB GLN A 12 -13.611 24.391 22.632 1.00 0.00 C ATOM 182 CG GLN A 12 -14.370 25.719 22.591 1.00 0.00 C ATOM 183 CD GLN A 12 -15.698 25.571 23.335 1.00 0.00 C ATOM 184 OE1 GLN A 12 -15.720 25.238 24.503 1.00 0.00 O ATOM 185 NE2 GLN A 12 -16.815 25.806 22.702 1.00 0.00 N ATOM 0 H GLN A 12 -12.265 22.444 22.165 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.327 24.993 20.981 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.176 23.620 22.108 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.496 24.057 23.663 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -13.771 26.507 23.048 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -14.551 26.015 21.558 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.796 26.086 21.721 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.707 25.710 23.188 1.00 0.00 H new ATOM 194 N ALA A 13 -10.922 25.075 23.946 1.00 0.00 N ATOM 195 CA ALA A 13 -10.060 25.945 24.792 1.00 0.00 C ATOM 196 C ALA A 13 -8.824 26.367 23.998 1.00 0.00 C ATOM 197 O ALA A 13 -8.178 27.346 24.311 1.00 0.00 O ATOM 198 CB ALA A 13 -9.662 25.074 25.984 1.00 0.00 C ATOM 0 H ALA A 13 -11.112 24.148 24.327 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.568 26.855 25.111 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.023 25.647 26.656 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.558 24.756 26.518 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.121 24.197 25.629 1.00 0.00 H new ATOM 204 N PHE A 14 -8.492 25.636 22.967 1.00 0.00 N ATOM 205 CA PHE A 14 -7.302 25.998 22.155 1.00 0.00 C ATOM 206 C PHE A 14 -7.707 26.933 21.013 1.00 0.00 C ATOM 207 O PHE A 14 -6.991 27.093 20.045 1.00 0.00 O ATOM 208 CB PHE A 14 -6.786 24.672 21.602 1.00 0.00 C ATOM 209 CG PHE A 14 -6.582 23.688 22.732 1.00 0.00 C ATOM 210 CD1 PHE A 14 -6.430 24.142 24.048 1.00 0.00 C ATOM 211 CD2 PHE A 14 -6.545 22.317 22.458 1.00 0.00 C ATOM 212 CE1 PHE A 14 -6.241 23.223 25.088 1.00 0.00 C ATOM 213 CE2 PHE A 14 -6.356 21.399 23.496 1.00 0.00 C ATOM 214 CZ PHE A 14 -6.204 21.852 24.811 1.00 0.00 C ATOM 0 H PHE A 14 -8.995 24.805 22.655 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.545 26.520 22.740 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.496 24.268 20.880 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.847 24.830 21.072 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.458 25.200 24.261 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.663 21.967 21.443 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.124 23.572 26.103 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.327 20.341 23.283 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.058 21.143 25.613 1.00 0.00 H new ATOM 224 N MET A 15 -8.856 27.547 21.114 1.00 0.00 N ATOM 225 CA MET A 15 -9.308 28.463 20.033 1.00 0.00 C ATOM 226 C MET A 15 -9.047 29.922 20.422 1.00 0.00 C ATOM 227 O MET A 15 -9.575 30.423 21.395 1.00 0.00 O ATOM 228 CB MET A 15 -10.806 28.192 19.902 1.00 0.00 C ATOM 229 CG MET A 15 -11.557 28.837 21.069 1.00 0.00 C ATOM 230 SD MET A 15 -13.200 28.092 21.214 1.00 0.00 S ATOM 231 CE MET A 15 -14.017 29.496 22.013 1.00 0.00 C ATOM 0 H MET A 15 -9.499 27.452 21.900 1.00 0.00 H new ATOM 0 HA MET A 15 -8.778 28.297 19.095 1.00 0.00 H new ATOM 0 HB2 MET A 15 -11.175 28.590 18.957 1.00 0.00 H new ATOM 0 HB3 MET A 15 -10.990 27.118 19.889 1.00 0.00 H new ATOM 0 HG2 MET A 15 -11.000 28.698 21.995 1.00 0.00 H new ATOM 0 HG3 MET A 15 -11.646 29.911 20.909 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.063 29.251 22.199 1.00 0.00 H new ATOM 0 HE2 MET A 15 -13.522 29.715 22.959 1.00 0.00 H new ATOM 0 HE3 MET A 15 -13.959 30.369 21.363 1.00 0.00 H new ATOM 241 N LYS A 16 -8.235 30.609 19.665 1.00 0.00 N ATOM 242 CA LYS A 16 -7.943 32.035 19.985 1.00 0.00 C ATOM 243 C LYS A 16 -8.844 32.952 19.154 1.00 0.00 C ATOM 244 O LYS A 16 -8.441 33.475 18.133 1.00 0.00 O ATOM 245 CB LYS A 16 -6.476 32.238 19.605 1.00 0.00 C ATOM 246 CG LYS A 16 -6.049 33.664 19.959 1.00 0.00 C ATOM 247 CD LYS A 16 -6.020 33.825 21.480 1.00 0.00 C ATOM 248 CE LYS A 16 -4.814 33.074 22.049 1.00 0.00 C ATOM 249 NZ LYS A 16 -4.729 33.511 23.471 1.00 0.00 N ATOM 0 H LYS A 16 -7.761 30.244 18.839 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.125 32.270 21.034 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.850 31.518 20.132 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.338 32.060 18.539 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.064 33.874 19.542 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.742 34.382 19.520 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.962 34.881 21.744 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.941 33.438 21.915 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.949 31.995 21.974 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.902 33.320 21.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.925 33.039 23.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.594 34.542 23.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.608 33.258 23.965 1.00 0.00 H new ATOM 263 N ASN A 17 -10.062 33.148 19.580 1.00 0.00 N ATOM 264 CA ASN A 17 -10.990 34.026 18.811 1.00 0.00 C ATOM 265 C ASN A 17 -11.323 33.384 17.463 1.00 0.00 C ATOM 266 O ASN A 17 -11.179 33.992 16.422 1.00 0.00 O ATOM 267 CB ASN A 17 -10.226 35.336 18.611 1.00 0.00 C ATOM 268 CG ASN A 17 -11.217 36.465 18.318 1.00 0.00 C ATOM 269 OD1 ASN A 17 -11.192 37.543 19.053 1.00 0.00 O flip ATOM 270 ND2 ASN A 17 -12.021 36.364 17.413 1.00 0.00 N flip ATOM 0 H ASN A 17 -10.455 32.738 20.427 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.935 34.185 19.330 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.645 35.570 19.503 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.519 35.235 17.787 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.040 35.521 16.839 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.677 37.122 17.227 1.00 0.00 H new ATOM 277 N GLY A 18 -11.769 32.159 17.476 1.00 0.00 N ATOM 278 CA GLY A 18 -12.115 31.475 16.199 1.00 0.00 C ATOM 279 C GLY A 18 -10.862 30.817 15.612 1.00 0.00 C ATOM 280 O GLY A 18 -10.945 29.965 14.749 1.00 0.00 O ATOM 0 H GLY A 18 -11.909 31.601 18.318 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.884 30.723 16.374 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.527 32.193 15.490 1.00 0.00 H new ATOM 284 N LYS A 19 -9.704 31.203 16.070 1.00 0.00 N ATOM 285 CA LYS A 19 -8.451 30.597 15.534 1.00 0.00 C ATOM 286 C LYS A 19 -8.020 29.410 16.399 1.00 0.00 C ATOM 287 O LYS A 19 -7.495 29.576 17.481 1.00 0.00 O ATOM 288 CB LYS A 19 -7.409 31.713 15.599 1.00 0.00 C ATOM 289 CG LYS A 19 -6.325 31.459 14.551 1.00 0.00 C ATOM 290 CD LYS A 19 -5.521 30.213 14.934 1.00 0.00 C ATOM 291 CE LYS A 19 -4.359 30.037 13.956 1.00 0.00 C ATOM 292 NZ LYS A 19 -3.644 28.817 14.429 1.00 0.00 N ATOM 0 H LYS A 19 -9.570 31.911 16.792 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.580 30.218 14.520 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.883 32.678 15.421 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.966 31.754 16.594 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.779 31.324 13.569 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.664 32.323 14.480 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.143 30.310 15.952 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.163 29.332 14.915 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.717 29.914 12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.703 30.907 13.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.831 28.628 13.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.309 28.966 15.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.292 28.004 14.407 1.00 0.00 H new ATOM 306 N LEU A 20 -8.237 28.214 15.928 1.00 0.00 N ATOM 307 CA LEU A 20 -7.840 27.016 16.722 1.00 0.00 C ATOM 308 C LEU A 20 -6.349 26.721 16.530 1.00 0.00 C ATOM 309 O LEU A 20 -5.913 26.361 15.456 1.00 0.00 O ATOM 310 CB LEU A 20 -8.688 25.874 16.157 1.00 0.00 C ATOM 311 CG LEU A 20 -8.851 24.783 17.217 1.00 0.00 C ATOM 312 CD1 LEU A 20 -9.690 23.639 16.643 1.00 0.00 C ATOM 313 CD2 LEU A 20 -7.474 24.253 17.621 1.00 0.00 C ATOM 0 H LEU A 20 -8.672 28.013 15.028 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.999 27.157 17.791 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.665 26.249 15.853 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.214 25.462 15.266 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.350 25.198 18.093 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.807 22.860 17.397 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.671 24.016 16.355 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.190 23.224 15.768 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.591 23.476 18.376 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.973 23.837 16.747 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.876 25.068 18.028 1.00 0.00 H new ATOM 325 N PHE A 21 -5.566 26.863 17.565 1.00 0.00 N ATOM 326 CA PHE A 21 -4.105 26.577 17.428 1.00 0.00 C ATOM 327 C PHE A 21 -3.800 25.163 17.928 1.00 0.00 C ATOM 328 O PHE A 21 -3.181 24.971 18.957 1.00 0.00 O ATOM 329 CB PHE A 21 -3.375 27.629 18.277 1.00 0.00 C ATOM 330 CG PHE A 21 -4.105 27.871 19.578 1.00 0.00 C ATOM 331 CD1 PHE A 21 -3.847 27.062 20.690 1.00 0.00 C ATOM 332 CD2 PHE A 21 -5.034 28.915 19.672 1.00 0.00 C ATOM 333 CE1 PHE A 21 -4.518 27.295 21.897 1.00 0.00 C ATOM 334 CE2 PHE A 21 -5.706 29.148 20.879 1.00 0.00 C ATOM 335 CZ PHE A 21 -5.447 28.339 21.990 1.00 0.00 C ATOM 0 H PHE A 21 -5.869 27.162 18.492 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.781 26.628 16.389 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.358 27.295 18.482 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.297 28.562 17.719 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.130 26.258 20.618 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.232 29.540 18.814 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.319 26.670 22.755 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.424 29.952 20.951 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.964 28.520 22.921 1.00 0.00 H new ATOM 345 N CYS A 22 -4.233 24.170 17.198 1.00 0.00 N ATOM 346 CA CYS A 22 -3.978 22.759 17.611 1.00 0.00 C ATOM 347 C CYS A 22 -2.501 22.544 17.979 1.00 0.00 C ATOM 348 O CYS A 22 -2.209 21.977 19.012 1.00 0.00 O ATOM 349 CB CYS A 22 -4.353 21.913 16.393 1.00 0.00 C ATOM 350 SG CYS A 22 -5.373 20.514 16.921 1.00 0.00 S ATOM 0 H CYS A 22 -4.755 24.276 16.328 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.556 22.491 18.495 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.896 22.520 15.669 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.452 21.553 15.896 1.00 0.00 H new ATOM 355 N PRO A 23 -1.609 22.987 17.122 1.00 0.00 N ATOM 356 CA PRO A 23 -0.161 22.810 17.383 1.00 0.00 C ATOM 357 C PRO A 23 0.257 23.554 18.654 1.00 0.00 C ATOM 358 O PRO A 23 0.763 24.658 18.603 1.00 0.00 O ATOM 359 CB PRO A 23 0.486 23.421 16.137 1.00 0.00 C ATOM 360 CG PRO A 23 -0.628 23.923 15.197 1.00 0.00 C ATOM 361 CD PRO A 23 -1.987 23.680 15.865 1.00 0.00 C ATOM 0 HA PRO A 23 0.130 21.773 17.548 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.143 24.244 16.418 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.103 22.679 15.629 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.495 24.984 14.988 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.579 23.401 14.241 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.516 24.613 16.059 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.640 23.067 15.244 1.00 0.00 H new ATOM 369 N GLN A 24 0.053 22.950 19.791 1.00 0.00 N ATOM 370 CA GLN A 24 0.440 23.608 21.072 1.00 0.00 C ATOM 371 C GLN A 24 1.355 22.682 21.872 1.00 0.00 C ATOM 372 O GLN A 24 2.555 22.866 21.926 1.00 0.00 O ATOM 373 CB GLN A 24 -0.879 23.834 21.814 1.00 0.00 C ATOM 374 CG GLN A 24 -0.599 24.139 23.288 1.00 0.00 C ATOM 375 CD GLN A 24 -1.902 24.050 24.083 1.00 0.00 C ATOM 376 OE1 GLN A 24 -2.542 25.050 24.340 1.00 0.00 O ATOM 377 NE2 GLN A 24 -2.327 22.882 24.484 1.00 0.00 N ATOM 0 H GLN A 24 -0.367 22.026 19.890 1.00 0.00 H new ATOM 0 HA GLN A 24 0.982 24.541 20.917 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.426 24.660 21.360 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.510 22.950 21.730 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.130 23.433 23.684 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.166 25.134 23.389 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.790 22.042 24.268 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.196 22.810 25.013 1.00 0.00 H new ATOM 386 N ASP A 25 0.793 21.683 22.491 1.00 0.00 N ATOM 387 CA ASP A 25 1.619 20.734 23.289 1.00 0.00 C ATOM 388 C ASP A 25 1.180 19.294 23.004 1.00 0.00 C ATOM 389 O ASP A 25 0.473 18.685 23.782 1.00 0.00 O ATOM 390 CB ASP A 25 1.347 21.102 24.747 1.00 0.00 C ATOM 391 CG ASP A 25 2.499 20.606 25.623 1.00 0.00 C ATOM 392 OD1 ASP A 25 3.314 19.848 25.121 1.00 0.00 O ATOM 393 OD2 ASP A 25 2.549 20.993 26.778 1.00 0.00 O ATOM 0 H ASP A 25 -0.207 21.481 22.479 1.00 0.00 H new ATOM 0 HA ASP A 25 2.680 20.799 23.047 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.240 22.182 24.846 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.408 20.657 25.076 1.00 0.00 H new ATOM 398 N LYS A 26 1.593 18.747 21.893 1.00 0.00 N ATOM 399 CA LYS A 26 1.198 17.349 21.554 1.00 0.00 C ATOM 400 C LYS A 26 1.873 16.349 22.500 1.00 0.00 C ATOM 401 O LYS A 26 1.641 15.158 22.421 1.00 0.00 O ATOM 402 CB LYS A 26 1.682 17.140 20.120 1.00 0.00 C ATOM 403 CG LYS A 26 0.586 17.566 19.140 1.00 0.00 C ATOM 404 CD LYS A 26 1.179 17.688 17.735 1.00 0.00 C ATOM 405 CE LYS A 26 0.386 18.722 16.934 1.00 0.00 C ATOM 406 NZ LYS A 26 0.985 18.690 15.570 1.00 0.00 N ATOM 0 H LYS A 26 2.188 19.208 21.204 1.00 0.00 H new ATOM 0 HA LYS A 26 0.124 17.193 21.653 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.588 17.720 19.943 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.939 16.093 19.961 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.223 16.836 19.143 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.157 18.519 19.449 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.226 17.984 17.795 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.150 16.722 17.231 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.675 18.472 16.906 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.468 19.714 17.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.494 19.374 14.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.993 18.939 15.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.886 17.735 15.170 1.00 0.00 H new ATOM 420 N LYS A 27 2.702 16.819 23.395 1.00 0.00 N ATOM 421 CA LYS A 27 3.386 15.892 24.344 1.00 0.00 C ATOM 422 C LYS A 27 2.408 14.821 24.840 1.00 0.00 C ATOM 423 O LYS A 27 2.797 13.726 25.195 1.00 0.00 O ATOM 424 CB LYS A 27 3.837 16.782 25.502 1.00 0.00 C ATOM 425 CG LYS A 27 5.154 17.468 25.137 1.00 0.00 C ATOM 426 CD LYS A 27 5.574 18.402 26.275 1.00 0.00 C ATOM 427 CE LYS A 27 6.573 19.433 25.748 1.00 0.00 C ATOM 428 NZ LYS A 27 6.850 20.324 26.911 1.00 0.00 N ATOM 0 H LYS A 27 2.935 17.805 23.510 1.00 0.00 H new ATOM 0 HA LYS A 27 4.221 15.366 23.880 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.074 17.529 25.719 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.964 16.185 26.405 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.928 16.722 24.960 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.038 18.033 24.212 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.700 18.905 26.688 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.022 17.827 27.085 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.485 18.954 25.391 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.158 19.993 24.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.529 21.060 26.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.965 20.771 27.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.250 19.763 27.690 1.00 0.00 H new ATOM 442 N PHE A 28 1.141 15.131 24.864 1.00 0.00 N ATOM 443 CA PHE A 28 0.132 14.138 25.331 1.00 0.00 C ATOM 444 C PHE A 28 0.354 12.783 24.647 1.00 0.00 C ATOM 445 O PHE A 28 -0.073 11.755 25.134 1.00 0.00 O ATOM 446 CB PHE A 28 -1.214 14.738 24.926 1.00 0.00 C ATOM 447 CG PHE A 28 -1.320 16.144 25.471 1.00 0.00 C ATOM 448 CD1 PHE A 28 -1.120 16.381 26.835 1.00 0.00 C ATOM 449 CD2 PHE A 28 -1.618 17.208 24.611 1.00 0.00 C ATOM 450 CE1 PHE A 28 -1.217 17.682 27.341 1.00 0.00 C ATOM 451 CE2 PHE A 28 -1.716 18.510 25.118 1.00 0.00 C ATOM 452 CZ PHE A 28 -1.515 18.747 26.482 1.00 0.00 C ATOM 0 H PHE A 28 0.759 16.033 24.579 1.00 0.00 H new ATOM 0 HA PHE A 28 0.194 13.954 26.404 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.308 14.749 23.840 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.029 14.125 25.310 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.891 15.560 27.498 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.772 17.025 23.558 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.062 17.865 28.394 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.947 19.331 24.456 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.590 19.751 26.872 1.00 0.00 H new ATOM 462 N PHE A 29 1.021 12.774 23.525 1.00 0.00 N ATOM 463 CA PHE A 29 1.275 11.486 22.810 1.00 0.00 C ATOM 464 C PHE A 29 1.984 10.491 23.737 1.00 0.00 C ATOM 465 O PHE A 29 2.028 9.306 23.475 1.00 0.00 O ATOM 466 CB PHE A 29 2.183 11.868 21.636 1.00 0.00 C ATOM 467 CG PHE A 29 2.515 10.639 20.822 1.00 0.00 C ATOM 468 CD1 PHE A 29 3.382 9.668 21.338 1.00 0.00 C ATOM 469 CD2 PHE A 29 1.957 10.471 19.549 1.00 0.00 C ATOM 470 CE1 PHE A 29 3.688 8.529 20.584 1.00 0.00 C ATOM 471 CE2 PHE A 29 2.263 9.332 18.794 1.00 0.00 C ATOM 472 CZ PHE A 29 3.128 8.361 19.311 1.00 0.00 C ATOM 0 H PHE A 29 1.403 13.603 23.070 1.00 0.00 H new ATOM 0 HA PHE A 29 0.354 11.005 22.480 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.688 12.608 21.008 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.099 12.327 22.008 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.815 9.798 22.319 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.290 11.220 19.149 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.356 7.780 20.984 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.831 9.203 17.812 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.364 7.482 18.729 1.00 0.00 H new ATOM 482 N GLN A 30 2.543 10.966 24.816 1.00 0.00 N ATOM 483 CA GLN A 30 3.256 10.051 25.755 1.00 0.00 C ATOM 484 C GLN A 30 2.298 9.009 26.338 1.00 0.00 C ATOM 485 O GLN A 30 2.714 8.058 26.969 1.00 0.00 O ATOM 486 CB GLN A 30 3.790 10.962 26.861 1.00 0.00 C ATOM 487 CG GLN A 30 4.965 11.782 26.324 1.00 0.00 C ATOM 488 CD GLN A 30 5.890 12.165 27.481 1.00 0.00 C ATOM 489 OE1 GLN A 30 6.430 11.308 28.152 1.00 0.00 O ATOM 490 NE2 GLN A 30 6.098 13.427 27.741 1.00 0.00 N ATOM 0 H GLN A 30 2.537 11.949 25.089 1.00 0.00 H new ATOM 0 HA GLN A 30 4.050 9.495 25.255 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.000 11.626 27.213 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.109 10.365 27.716 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.515 11.206 25.580 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.598 12.679 25.825 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.644 14.145 27.177 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.714 13.695 28.508 1.00 0.00 H new ATOM 499 N SER A 31 1.019 9.177 26.140 1.00 0.00 N ATOM 500 CA SER A 31 0.052 8.185 26.697 1.00 0.00 C ATOM 501 C SER A 31 -1.168 8.044 25.782 1.00 0.00 C ATOM 502 O SER A 31 -1.398 8.855 24.907 1.00 0.00 O ATOM 503 CB SER A 31 -0.361 8.755 28.054 1.00 0.00 C ATOM 504 OG SER A 31 -0.646 10.139 27.919 1.00 0.00 O ATOM 0 H SER A 31 0.603 9.951 25.622 1.00 0.00 H new ATOM 0 HA SER A 31 0.492 7.192 26.784 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.237 8.227 28.431 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.437 8.606 28.781 1.00 0.00 H new ATOM 0 HG SER A 31 -0.912 10.504 28.788 1.00 0.00 H new ATOM 510 N LEU A 32 -1.952 7.019 25.984 1.00 0.00 N ATOM 511 CA LEU A 32 -3.161 6.822 25.132 1.00 0.00 C ATOM 512 C LEU A 32 -4.126 7.990 25.310 1.00 0.00 C ATOM 513 O LEU A 32 -4.516 8.640 24.360 1.00 0.00 O ATOM 514 CB LEU A 32 -3.796 5.527 25.635 1.00 0.00 C ATOM 515 CG LEU A 32 -4.595 4.878 24.503 1.00 0.00 C ATOM 516 CD1 LEU A 32 -4.821 3.398 24.823 1.00 0.00 C ATOM 517 CD2 LEU A 32 -5.948 5.581 24.367 1.00 0.00 C ATOM 0 H LEU A 32 -1.808 6.309 26.702 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.913 6.770 24.072 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.024 4.844 25.988 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.449 5.735 26.483 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.042 4.969 23.568 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.390 2.934 24.017 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.859 2.896 24.923 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.375 3.308 25.757 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.518 5.120 23.561 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.501 5.489 25.302 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.789 6.636 24.142 1.00 0.00 H new ATOM 529 N ASP A 33 -4.510 8.268 26.523 1.00 0.00 N ATOM 530 CA ASP A 33 -5.446 9.400 26.762 1.00 0.00 C ATOM 531 C ASP A 33 -4.861 10.666 26.146 1.00 0.00 C ATOM 532 O ASP A 33 -5.560 11.466 25.558 1.00 0.00 O ATOM 533 CB ASP A 33 -5.544 9.530 28.282 1.00 0.00 C ATOM 534 CG ASP A 33 -6.532 10.642 28.637 1.00 0.00 C ATOM 535 OD1 ASP A 33 -6.956 11.342 27.732 1.00 0.00 O ATOM 536 OD2 ASP A 33 -6.849 10.774 29.808 1.00 0.00 O ATOM 0 H ASP A 33 -4.217 7.761 27.358 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.428 9.240 26.317 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.871 8.586 28.718 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.563 9.753 28.702 1.00 0.00 H new ATOM 541 N GLY A 34 -3.575 10.839 26.259 1.00 0.00 N ATOM 542 CA GLY A 34 -2.937 12.038 25.660 1.00 0.00 C ATOM 543 C GLY A 34 -2.893 11.848 24.146 1.00 0.00 C ATOM 544 O GLY A 34 -3.051 12.779 23.386 1.00 0.00 O ATOM 0 H GLY A 34 -2.940 10.202 26.740 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.501 12.936 25.914 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.930 12.171 26.056 1.00 0.00 H new ATOM 548 N ILE A 35 -2.691 10.635 23.708 1.00 0.00 N ATOM 549 CA ILE A 35 -2.649 10.365 22.244 1.00 0.00 C ATOM 550 C ILE A 35 -4.017 10.671 21.626 1.00 0.00 C ATOM 551 O ILE A 35 -4.114 11.159 20.518 1.00 0.00 O ATOM 552 CB ILE A 35 -2.301 8.871 22.135 1.00 0.00 C ATOM 553 CG1 ILE A 35 -0.785 8.719 21.993 1.00 0.00 C ATOM 554 CG2 ILE A 35 -2.987 8.241 20.916 1.00 0.00 C ATOM 555 CD1 ILE A 35 -0.333 9.304 20.653 1.00 0.00 C ATOM 0 H ILE A 35 -2.553 9.818 24.303 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.924 10.981 21.713 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.650 8.363 23.034 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.280 9.230 22.813 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.508 7.667 22.054 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.727 7.184 20.858 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.068 8.344 21.013 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.654 8.747 20.010 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.747 9.195 20.554 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.828 8.774 19.839 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.596 10.361 20.610 1.00 0.00 H new ATOM 567 N MET A 36 -5.073 10.385 22.334 1.00 0.00 N ATOM 568 CA MET A 36 -6.430 10.656 21.783 1.00 0.00 C ATOM 569 C MET A 36 -6.515 12.088 21.248 1.00 0.00 C ATOM 570 O MET A 36 -6.910 12.316 20.122 1.00 0.00 O ATOM 571 CB MET A 36 -7.386 10.477 22.960 1.00 0.00 C ATOM 572 CG MET A 36 -7.884 9.031 22.995 1.00 0.00 C ATOM 573 SD MET A 36 -8.930 8.789 24.453 1.00 0.00 S ATOM 574 CE MET A 36 -10.526 8.902 23.607 1.00 0.00 C ATOM 0 H MET A 36 -5.056 9.976 23.268 1.00 0.00 H new ATOM 0 HA MET A 36 -6.670 9.990 20.954 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.880 10.722 23.894 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.229 11.161 22.865 1.00 0.00 H new ATOM 0 HG2 MET A 36 -8.447 8.807 22.089 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.038 8.344 23.023 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.331 8.778 24.331 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.616 9.877 23.128 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.594 8.119 22.852 1.00 0.00 H new ATOM 584 N PHE A 37 -6.153 13.056 22.047 1.00 0.00 N ATOM 585 CA PHE A 37 -6.224 14.469 21.574 1.00 0.00 C ATOM 586 C PHE A 37 -5.627 14.574 20.160 1.00 0.00 C ATOM 587 O PHE A 37 -6.234 15.127 19.263 1.00 0.00 O ATOM 588 CB PHE A 37 -5.440 15.279 22.632 1.00 0.00 C ATOM 589 CG PHE A 37 -4.282 16.033 22.015 1.00 0.00 C ATOM 590 CD1 PHE A 37 -3.070 15.379 21.770 1.00 0.00 C ATOM 591 CD2 PHE A 37 -4.425 17.384 21.685 1.00 0.00 C ATOM 592 CE1 PHE A 37 -2.004 16.072 21.196 1.00 0.00 C ATOM 593 CE2 PHE A 37 -3.358 18.079 21.107 1.00 0.00 C ATOM 594 CZ PHE A 37 -2.148 17.421 20.863 1.00 0.00 C ATOM 0 H PHE A 37 -5.813 12.931 23.001 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.241 14.852 21.485 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.112 15.983 23.123 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.066 14.605 23.403 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.959 14.336 22.026 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.359 17.891 21.876 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.068 15.566 21.009 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.468 19.122 20.849 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.324 17.957 20.416 1.00 0.00 H new ATOM 604 N ILE A 38 -4.457 14.037 19.947 1.00 0.00 N ATOM 605 CA ILE A 38 -3.847 14.105 18.588 1.00 0.00 C ATOM 606 C ILE A 38 -4.859 13.636 17.541 1.00 0.00 C ATOM 607 O ILE A 38 -4.947 14.179 16.459 1.00 0.00 O ATOM 608 CB ILE A 38 -2.649 13.157 18.640 1.00 0.00 C ATOM 609 CG1 ILE A 38 -1.580 13.740 19.566 1.00 0.00 C ATOM 610 CG2 ILE A 38 -2.072 12.988 17.234 1.00 0.00 C ATOM 611 CD1 ILE A 38 -0.295 12.918 19.442 1.00 0.00 C ATOM 0 H ILE A 38 -3.899 13.556 20.652 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.548 15.117 18.316 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.968 12.186 19.019 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.386 14.780 19.305 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.932 13.731 20.597 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.218 12.312 17.270 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.835 12.574 16.575 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.752 13.958 16.853 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.467 13.333 20.102 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.496 11.884 19.724 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.060 12.951 18.412 1.00 0.00 H new ATOM 623 N ASN A 39 -5.628 12.633 17.862 1.00 0.00 N ATOM 624 CA ASN A 39 -6.641 12.131 16.892 1.00 0.00 C ATOM 625 C ASN A 39 -7.797 13.129 16.792 1.00 0.00 C ATOM 626 O ASN A 39 -8.474 13.213 15.786 1.00 0.00 O ATOM 627 CB ASN A 39 -7.127 10.802 17.472 1.00 0.00 C ATOM 628 CG ASN A 39 -5.991 9.778 17.419 1.00 0.00 C ATOM 629 OD1 ASN A 39 -5.281 9.691 16.437 1.00 0.00 O ATOM 630 ND2 ASN A 39 -5.788 8.993 18.442 1.00 0.00 N ATOM 0 H ASN A 39 -5.599 12.139 18.754 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.233 12.006 15.889 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.458 10.941 18.501 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.986 10.439 16.907 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.034 8.307 18.417 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.384 9.066 19.267 1.00 0.00 H new ATOM 637 N LYS A 40 -8.018 13.890 17.827 1.00 0.00 N ATOM 638 CA LYS A 40 -9.121 14.890 17.797 1.00 0.00 C ATOM 639 C LYS A 40 -8.563 16.265 17.421 1.00 0.00 C ATOM 640 O LYS A 40 -9.297 17.182 17.117 1.00 0.00 O ATOM 641 CB LYS A 40 -9.683 14.906 19.217 1.00 0.00 C ATOM 642 CG LYS A 40 -10.650 13.734 19.396 1.00 0.00 C ATOM 643 CD LYS A 40 -11.052 13.625 20.868 1.00 0.00 C ATOM 644 CE LYS A 40 -11.399 12.170 21.194 1.00 0.00 C ATOM 645 NZ LYS A 40 -12.023 12.221 22.546 1.00 0.00 N ATOM 0 H LYS A 40 -7.481 13.863 18.694 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.889 14.643 17.064 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.872 14.836 19.941 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.198 15.848 19.405 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.535 13.881 18.776 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.180 12.807 19.067 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.237 13.968 21.505 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.908 14.269 21.071 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.085 11.752 20.457 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.509 11.541 21.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.290 11.260 22.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.344 12.617 23.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.872 12.821 22.514 1.00 0.00 H new ATOM 659 N CYS A 41 -7.267 16.411 17.435 1.00 0.00 N ATOM 660 CA CYS A 41 -6.662 17.724 17.075 1.00 0.00 C ATOM 661 C CYS A 41 -7.042 18.096 15.642 1.00 0.00 C ATOM 662 O CYS A 41 -7.860 18.963 15.408 1.00 0.00 O ATOM 663 CB CYS A 41 -5.153 17.505 17.186 1.00 0.00 C ATOM 664 SG CYS A 41 -4.278 18.892 16.417 1.00 0.00 S ATOM 0 H CYS A 41 -6.601 15.678 17.680 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.006 18.532 17.720 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.865 17.416 18.233 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.874 16.571 16.698 1.00 0.00 H new ATOM 669 N ALA A 42 -6.454 17.439 14.683 1.00 0.00 N ATOM 670 CA ALA A 42 -6.780 17.748 13.261 1.00 0.00 C ATOM 671 C ALA A 42 -8.286 17.615 13.028 1.00 0.00 C ATOM 672 O ALA A 42 -8.866 18.318 12.223 1.00 0.00 O ATOM 673 CB ALA A 42 -6.013 16.709 12.441 1.00 0.00 C ATOM 0 H ALA A 42 -5.762 16.702 14.820 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.504 18.765 12.984 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.202 16.871 11.380 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.945 16.806 12.638 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.344 15.709 12.720 1.00 0.00 H new ATOM 679 N THR A 43 -8.926 16.723 13.732 1.00 0.00 N ATOM 680 CA THR A 43 -10.395 16.546 13.562 1.00 0.00 C ATOM 681 C THR A 43 -11.133 17.728 14.190 1.00 0.00 C ATOM 682 O THR A 43 -11.896 18.414 13.541 1.00 0.00 O ATOM 683 CB THR A 43 -10.727 15.248 14.301 1.00 0.00 C ATOM 684 OG1 THR A 43 -9.823 14.231 13.894 1.00 0.00 O ATOM 685 CG2 THR A 43 -12.159 14.823 13.974 1.00 0.00 C ATOM 0 H THR A 43 -8.493 16.107 14.420 1.00 0.00 H new ATOM 0 HA THR A 43 -10.693 16.500 12.514 1.00 0.00 H new ATOM 0 HB THR A 43 -10.636 15.407 15.375 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.105 14.147 14.556 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.393 13.898 14.501 1.00 0.00 H new ATOM 0 HG22 THR A 43 -12.851 15.605 14.287 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.255 14.663 12.900 1.00 0.00 H new ATOM 693 N CYS A 44 -10.908 17.978 15.450 1.00 0.00 N ATOM 694 CA CYS A 44 -11.592 19.124 16.111 1.00 0.00 C ATOM 695 C CYS A 44 -11.429 20.382 15.257 1.00 0.00 C ATOM 696 O CYS A 44 -12.215 21.304 15.332 1.00 0.00 O ATOM 697 CB CYS A 44 -10.886 19.289 17.458 1.00 0.00 C ATOM 698 SG CYS A 44 -11.448 18.002 18.599 1.00 0.00 S ATOM 0 H CYS A 44 -10.282 17.440 16.049 1.00 0.00 H new ATOM 0 HA CYS A 44 -12.662 18.956 16.238 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.806 19.225 17.324 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.098 20.275 17.873 1.00 0.00 H new ATOM 703 N LYS A 45 -10.410 20.420 14.442 1.00 0.00 N ATOM 704 CA LYS A 45 -10.189 21.612 13.575 1.00 0.00 C ATOM 705 C LYS A 45 -11.272 21.685 12.496 1.00 0.00 C ATOM 706 O LYS A 45 -11.915 22.700 12.316 1.00 0.00 O ATOM 707 CB LYS A 45 -8.817 21.394 12.940 1.00 0.00 C ATOM 708 CG LYS A 45 -8.534 22.517 11.941 1.00 0.00 C ATOM 709 CD LYS A 45 -7.629 21.994 10.824 1.00 0.00 C ATOM 710 CE LYS A 45 -7.030 23.175 10.060 1.00 0.00 C ATOM 711 NZ LYS A 45 -6.100 22.559 9.071 1.00 0.00 N ATOM 0 H LYS A 45 -9.720 19.676 14.339 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.233 22.545 14.137 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.046 21.375 13.711 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.787 20.428 12.436 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.469 22.888 11.521 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.056 23.356 12.447 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.834 21.378 11.244 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.200 21.360 10.146 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.805 23.758 9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.502 23.853 10.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.648 23.307 8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.369 22.015 9.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.633 21.924 8.442 1.00 0.00 H new ATOM 725 N MET A 46 -11.484 20.615 11.776 1.00 0.00 N ATOM 726 CA MET A 46 -12.532 20.637 10.714 1.00 0.00 C ATOM 727 C MET A 46 -13.891 20.959 11.337 1.00 0.00 C ATOM 728 O MET A 46 -14.772 21.490 10.691 1.00 0.00 O ATOM 729 CB MET A 46 -12.528 19.233 10.106 1.00 0.00 C ATOM 730 CG MET A 46 -12.852 18.194 11.182 1.00 0.00 C ATOM 731 SD MET A 46 -13.962 16.940 10.496 1.00 0.00 S ATOM 732 CE MET A 46 -13.108 16.722 8.915 1.00 0.00 C ATOM 0 H MET A 46 -10.981 19.733 11.876 1.00 0.00 H new ATOM 0 HA MET A 46 -12.339 21.396 9.956 1.00 0.00 H new ATOM 0 HB2 MET A 46 -13.260 19.175 9.301 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.553 19.021 9.666 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.934 17.726 11.539 1.00 0.00 H new ATOM 0 HG3 MET A 46 -13.318 18.677 12.040 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.279 15.711 8.545 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.491 17.442 8.192 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.039 16.881 9.054 1.00 0.00 H new ATOM 742 N ILE A 47 -14.062 20.650 12.593 1.00 0.00 N ATOM 743 CA ILE A 47 -15.358 20.949 13.261 1.00 0.00 C ATOM 744 C ILE A 47 -15.649 22.447 13.161 1.00 0.00 C ATOM 745 O ILE A 47 -16.773 22.861 12.952 1.00 0.00 O ATOM 746 CB ILE A 47 -15.163 20.532 14.719 1.00 0.00 C ATOM 747 CG1 ILE A 47 -14.734 19.066 14.780 1.00 0.00 C ATOM 748 CG2 ILE A 47 -16.478 20.710 15.480 1.00 0.00 C ATOM 749 CD1 ILE A 47 -15.653 18.225 13.890 1.00 0.00 C ATOM 0 H ILE A 47 -13.361 20.204 13.184 1.00 0.00 H new ATOM 0 HA ILE A 47 -16.197 20.424 12.805 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.392 21.154 15.173 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.700 18.965 14.451 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -14.778 18.706 15.808 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.340 20.413 16.520 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.784 21.756 15.439 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.249 20.089 15.024 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.346 17.180 13.934 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -16.681 18.316 14.240 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.587 18.579 12.861 1.00 0.00 H new ATOM 761 N LEU A 48 -14.640 23.263 13.300 1.00 0.00 N ATOM 762 CA LEU A 48 -14.852 24.734 13.201 1.00 0.00 C ATOM 763 C LEU A 48 -15.185 25.106 11.756 1.00 0.00 C ATOM 764 O LEU A 48 -16.059 25.908 11.494 1.00 0.00 O ATOM 765 CB LEU A 48 -13.525 25.361 13.627 1.00 0.00 C ATOM 766 CG LEU A 48 -13.377 25.267 15.147 1.00 0.00 C ATOM 767 CD1 LEU A 48 -14.634 25.821 15.819 1.00 0.00 C ATOM 768 CD2 LEU A 48 -13.185 23.804 15.551 1.00 0.00 C ATOM 0 H LEU A 48 -13.678 22.974 13.478 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.676 25.081 13.824 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.696 24.849 13.139 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.486 26.404 13.312 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.511 25.848 15.463 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.528 25.754 16.902 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.771 26.864 15.532 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.501 25.241 15.503 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.079 23.736 16.634 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.051 23.222 15.234 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.288 23.409 15.074 1.00 0.00 H new ATOM 780 N GLU A 49 -14.499 24.518 10.814 1.00 0.00 N ATOM 781 CA GLU A 49 -14.782 24.828 9.385 1.00 0.00 C ATOM 782 C GLU A 49 -16.026 24.061 8.932 1.00 0.00 C ATOM 783 O GLU A 49 -16.629 24.370 7.923 1.00 0.00 O ATOM 784 CB GLU A 49 -13.547 24.351 8.619 1.00 0.00 C ATOM 785 CG GLU A 49 -12.306 25.061 9.161 1.00 0.00 C ATOM 786 CD GLU A 49 -12.080 26.360 8.383 1.00 0.00 C ATOM 787 OE1 GLU A 49 -12.945 26.716 7.600 1.00 0.00 O ATOM 788 OE2 GLU A 49 -11.046 26.975 8.585 1.00 0.00 O ATOM 0 H GLU A 49 -13.756 23.837 10.972 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.973 25.888 9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.436 23.272 8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.663 24.559 7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.432 25.277 10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.434 24.413 9.069 1.00 0.00 H new ATOM 795 N LYS A 50 -16.414 23.063 9.678 1.00 0.00 N ATOM 796 CA LYS A 50 -17.619 22.270 9.305 1.00 0.00 C ATOM 797 C LYS A 50 -18.876 23.137 9.423 1.00 0.00 C ATOM 798 O LYS A 50 -19.783 23.046 8.620 1.00 0.00 O ATOM 799 CB LYS A 50 -17.661 21.123 10.316 1.00 0.00 C ATOM 800 CG LYS A 50 -18.829 20.192 9.986 1.00 0.00 C ATOM 801 CD LYS A 50 -20.127 20.790 10.535 1.00 0.00 C ATOM 802 CE LYS A 50 -21.140 19.669 10.780 1.00 0.00 C ATOM 803 NZ LYS A 50 -22.261 20.323 11.514 1.00 0.00 N ATOM 0 H LYS A 50 -15.946 22.762 10.533 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.578 21.908 8.278 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.723 20.569 10.292 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -17.772 21.518 11.326 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.906 20.056 8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.657 19.207 10.420 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -19.929 21.326 11.463 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -20.533 21.515 9.829 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -21.483 19.233 9.841 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.702 18.861 11.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -22.999 19.619 11.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -21.906 20.723 12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -22.662 21.084 10.929 1.00 0.00 H new ATOM 817 N GLU A 51 -18.936 23.977 10.421 1.00 0.00 N ATOM 818 CA GLU A 51 -20.133 24.849 10.589 1.00 0.00 C ATOM 819 C GLU A 51 -20.215 25.859 9.441 1.00 0.00 C ATOM 820 O GLU A 51 -21.283 26.289 9.053 1.00 0.00 O ATOM 821 CB GLU A 51 -19.917 25.568 11.921 1.00 0.00 C ATOM 822 CG GLU A 51 -21.114 26.474 12.212 1.00 0.00 C ATOM 823 CD GLU A 51 -20.940 27.125 13.586 1.00 0.00 C ATOM 824 OE1 GLU A 51 -21.230 26.467 14.572 1.00 0.00 O ATOM 825 OE2 GLU A 51 -20.520 28.269 13.630 1.00 0.00 O ATOM 0 H GLU A 51 -18.209 24.097 11.126 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.063 24.280 10.580 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -19.795 24.840 12.723 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.001 26.158 11.883 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -21.198 27.241 11.442 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -22.037 25.894 12.187 1.00 0.00 H new ATOM 832 N ALA A 52 -19.093 26.239 8.896 1.00 0.00 N ATOM 833 CA ALA A 52 -19.102 27.219 7.772 1.00 0.00 C ATOM 834 C ALA A 52 -19.445 26.515 6.457 1.00 0.00 C ATOM 835 O ALA A 52 -19.967 27.114 5.539 1.00 0.00 O ATOM 836 CB ALA A 52 -17.681 27.781 7.726 1.00 0.00 C ATOM 0 H ALA A 52 -18.169 25.913 9.180 1.00 0.00 H new ATOM 0 HA ALA A 52 -19.846 28.003 7.914 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -17.605 28.513 6.922 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.449 28.261 8.677 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.975 26.970 7.547 1.00 0.00 H new ATOM 842 N LYS A 53 -19.153 25.247 6.360 1.00 0.00 N ATOM 843 CA LYS A 53 -19.461 24.506 5.103 1.00 0.00 C ATOM 844 C LYS A 53 -20.971 24.281 4.977 1.00 0.00 C ATOM 845 O LYS A 53 -21.504 24.178 3.891 1.00 0.00 O ATOM 846 CB LYS A 53 -18.730 23.170 5.240 1.00 0.00 C ATOM 847 CG LYS A 53 -19.038 22.293 4.024 1.00 0.00 C ATOM 848 CD LYS A 53 -18.252 20.984 4.128 1.00 0.00 C ATOM 849 CE LYS A 53 -18.666 20.048 2.990 1.00 0.00 C ATOM 850 NZ LYS A 53 -17.742 18.885 3.097 1.00 0.00 N ATOM 0 H LYS A 53 -18.715 24.692 7.095 1.00 0.00 H new ATOM 0 HA LYS A 53 -19.146 25.053 4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -17.656 23.337 5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -19.041 22.665 6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -20.107 22.085 3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -18.772 22.818 3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.182 21.185 4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -18.441 20.509 5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -19.706 19.737 3.092 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -18.573 20.539 2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -17.962 18.197 2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.760 19.211 2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -17.857 18.434 4.027 1.00 0.00 H new ATOM 864 N SER A 54 -21.662 24.204 6.081 1.00 0.00 N ATOM 865 CA SER A 54 -23.136 23.986 6.024 1.00 0.00 C ATOM 866 C SER A 54 -23.842 25.262 5.555 1.00 0.00 C ATOM 867 O SER A 54 -24.994 25.239 5.169 1.00 0.00 O ATOM 868 CB SER A 54 -23.543 23.644 7.457 1.00 0.00 C ATOM 869 OG SER A 54 -23.297 24.763 8.297 1.00 0.00 O ATOM 0 H SER A 54 -21.271 24.282 7.020 1.00 0.00 H new ATOM 0 HA SER A 54 -23.409 23.196 5.324 1.00 0.00 H new ATOM 0 HB2 SER A 54 -24.598 23.374 7.492 1.00 0.00 H new ATOM 0 HB3 SER A 54 -22.981 22.780 7.810 1.00 0.00 H new ATOM 0 HG SER A 54 -22.331 24.886 8.403 1.00 0.00 H new ATOM 875 N GLN A 55 -23.160 26.373 5.585 1.00 0.00 N ATOM 876 CA GLN A 55 -23.793 27.649 5.140 1.00 0.00 C ATOM 877 C GLN A 55 -23.475 27.912 3.666 1.00 0.00 C ATOM 878 O GLN A 55 -22.871 27.050 3.048 1.00 0.00 O ATOM 879 CB GLN A 55 -23.170 28.729 6.025 1.00 0.00 C ATOM 880 CG GLN A 55 -23.509 28.446 7.490 1.00 0.00 C ATOM 881 CD GLN A 55 -25.026 28.351 7.654 1.00 0.00 C ATOM 882 OE1 GLN A 55 -25.632 27.375 7.255 1.00 0.00 O ATOM 883 NE2 GLN A 55 -25.673 29.329 8.228 1.00 0.00 N ATOM 884 OXT GLN A 55 -23.841 28.969 3.181 1.00 0.00 O ATOM 0 H GLN A 55 -22.193 26.454 5.898 1.00 0.00 H new ATOM 0 HA GLN A 55 -24.879 27.625 5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -22.089 28.748 5.888 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -23.545 29.711 5.737 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -23.039 27.516 7.810 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -23.113 29.238 8.125 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -25.166 30.148 8.563 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -26.685 29.274 8.341 1.00 0.00 H new TER 893 GLN A 55