USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.172 X(o=0.069,f=-0.27) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.102 X(o=0.069,f=-0.27) USER MOD Set 2.1: A 25 ASN : amide:sc= 0.691 K(o=2.9,f=1.2) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 169:sc= 2.26 (180deg=2.06) USER MOD Set 3.1: A 7 THR OG1 : rot -77:sc= 1.35 USER MOD Set 3.2: A 9 THR OG1 : rot 24:sc= 0.149 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= 2.37 (180deg=2.05) USER MOD Single : A 2 GLN : amide:sc= 0.0447 X(o=0.045,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 142:sc= 1.22 (180deg=0.402) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -59:sc= 0.149 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -75:sc= 0.797 USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 1.76 (180deg=1.24) USER MOD Single : A 31 GLN : amide:sc= -0.0881 K(o=-0.088,f=-0.93) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 1.32 (180deg=1.32) USER MOD Single : A 40 GLN : amide:sc= 0.672 K(o=0.67,f=-0.18) USER MOD Single : A 41 GLN : amide:sc= 1.45 K(o=1.5,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.08 K(o=1.1,f=-4.9!) USER MOD Single : A 55 THR OG1 : rot -75:sc= 1.3 USER MOD Single : A 57 SER OG : rot 49:sc= 0.903 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.359 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 107:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.074 51.887 19.074 1.00 0.00 N ATOM 2 CA MET A 1 33.248 52.246 20.489 1.00 0.00 C ATOM 3 C MET A 1 34.725 52.494 20.800 1.00 0.00 C ATOM 4 O MET A 1 35.590 51.939 20.125 1.00 0.00 O ATOM 5 CB MET A 1 32.662 51.208 21.442 1.00 0.00 C ATOM 6 CG MET A 1 33.358 49.850 21.465 1.00 0.00 C ATOM 7 SD MET A 1 32.818 48.761 22.805 1.00 0.00 S ATOM 8 CE MET A 1 34.065 47.457 22.660 1.00 0.00 C ATOM 0 H1 MET A 1 32.082 52.035 18.798 1.00 0.00 H new ATOM 0 H2 MET A 1 33.690 52.484 18.486 1.00 0.00 H new ATOM 0 H3 MET A 1 33.327 50.888 18.936 1.00 0.00 H new ATOM 0 HA MET A 1 32.688 53.167 20.652 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.680 51.620 22.451 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.616 51.053 21.179 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.184 49.349 20.513 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.433 50.007 21.551 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.883 46.694 23.417 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.007 47.006 21.669 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.057 47.884 22.806 1.00 0.00 H new ATOM 20 N GLN A 2 35.017 53.273 21.838 1.00 0.00 N ATOM 21 CA GLN A 2 36.377 53.523 22.274 1.00 0.00 C ATOM 22 C GLN A 2 36.827 52.583 23.395 1.00 0.00 C ATOM 23 O GLN A 2 36.080 52.327 24.335 1.00 0.00 O ATOM 24 CB GLN A 2 36.596 54.996 22.608 1.00 0.00 C ATOM 25 CG GLN A 2 35.827 55.528 23.815 1.00 0.00 C ATOM 26 CD GLN A 2 36.223 56.976 24.111 1.00 0.00 C ATOM 27 OE1 GLN A 2 35.526 57.929 23.768 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.377 57.190 24.737 1.00 0.00 N ATOM 0 H GLN A 2 34.310 53.748 22.399 1.00 0.00 H new ATOM 0 HA GLN A 2 37.026 53.291 21.430 1.00 0.00 H new ATOM 0 HB2 GLN A 2 37.660 55.155 22.781 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.322 55.591 21.736 1.00 0.00 H new ATOM 0 HG2 GLN A 2 34.755 55.470 23.624 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.030 54.905 24.686 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.956 56.401 25.022 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.682 58.144 24.932 1.00 0.00 H new ATOM 37 N ILE A 3 38.076 52.132 23.332 1.00 0.00 N ATOM 38 CA ILE A 3 38.789 51.480 24.413 1.00 0.00 C ATOM 39 C ILE A 3 40.152 52.142 24.628 1.00 0.00 C ATOM 40 O ILE A 3 40.573 52.976 23.830 1.00 0.00 O ATOM 41 CB ILE A 3 38.915 49.976 24.186 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.731 49.624 22.944 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.537 49.322 24.181 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.136 48.156 22.856 1.00 0.00 C ATOM 0 H ILE A 3 38.639 52.217 22.486 1.00 0.00 H new ATOM 0 HA ILE A 3 38.206 51.605 25.326 1.00 0.00 H new ATOM 0 HB ILE A 3 39.481 49.567 25.023 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.152 49.883 22.057 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.631 50.239 22.928 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.644 48.250 24.018 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.048 49.496 25.139 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.933 49.752 23.382 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.712 47.991 21.945 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.744 47.894 23.722 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.242 47.532 22.838 1.00 0.00 H new ATOM 56 N PHE A 4 40.869 51.756 25.679 1.00 0.00 N ATOM 57 CA PHE A 4 42.157 52.317 26.035 1.00 0.00 C ATOM 58 C PHE A 4 43.254 51.257 26.152 1.00 0.00 C ATOM 59 O PHE A 4 43.006 50.140 26.601 1.00 0.00 O ATOM 60 CB PHE A 4 41.995 53.091 27.341 1.00 0.00 C ATOM 61 CG PHE A 4 41.038 54.259 27.297 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.299 55.368 26.483 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.895 54.244 28.104 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.415 56.453 26.480 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.014 55.332 28.106 1.00 0.00 C ATOM 66 CZ PHE A 4 39.280 56.444 27.298 1.00 0.00 C ATOM 0 H PHE A 4 40.558 51.026 26.319 1.00 0.00 H new ATOM 0 HA PHE A 4 42.480 52.984 25.236 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.659 52.399 28.113 1.00 0.00 H new ATOM 0 HB3 PHE A 4 42.974 53.459 27.648 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.180 55.386 25.859 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.691 53.387 28.729 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.610 57.302 25.842 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.132 55.314 28.729 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.611 57.292 27.306 1.00 0.00 H new ATOM 76 N VAL A 5 44.483 51.611 25.785 1.00 0.00 N ATOM 77 CA VAL A 5 45.641 50.741 25.823 1.00 0.00 C ATOM 78 C VAL A 5 46.781 51.421 26.583 1.00 0.00 C ATOM 79 O VAL A 5 47.156 52.544 26.254 1.00 0.00 O ATOM 80 CB VAL A 5 46.083 50.347 24.417 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.269 49.387 24.440 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.960 49.687 23.621 1.00 0.00 C ATOM 0 H VAL A 5 44.701 52.546 25.442 1.00 0.00 H new ATOM 0 HA VAL A 5 45.367 49.826 26.348 1.00 0.00 H new ATOM 0 HB VAL A 5 46.372 51.281 23.934 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.551 49.132 23.418 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.112 49.862 24.941 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.992 48.480 24.977 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.324 49.425 22.627 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.630 48.785 24.136 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.123 50.379 23.530 1.00 0.00 H new ATOM 92 N LYS A 6 47.350 50.745 27.578 1.00 0.00 N ATOM 93 CA LYS A 6 48.461 51.219 28.377 1.00 0.00 C ATOM 94 C LYS A 6 49.793 50.809 27.745 1.00 0.00 C ATOM 95 O LYS A 6 50.148 49.632 27.738 1.00 0.00 O ATOM 96 CB LYS A 6 48.309 50.731 29.815 1.00 0.00 C ATOM 97 CG LYS A 6 49.246 51.488 30.754 1.00 0.00 C ATOM 98 CD LYS A 6 49.112 50.990 32.191 1.00 0.00 C ATOM 99 CE LYS A 6 49.941 51.802 33.181 1.00 0.00 C ATOM 100 NZ LYS A 6 49.420 53.168 33.346 1.00 0.00 N ATOM 0 H LYS A 6 47.032 49.816 27.855 1.00 0.00 H new ATOM 0 HA LYS A 6 48.457 52.309 28.404 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.277 50.864 30.140 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.524 49.663 29.865 1.00 0.00 H new ATOM 0 HG2 LYS A 6 50.276 51.366 30.419 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.022 52.554 30.714 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.064 51.027 32.487 1.00 0.00 H new ATOM 0 HD3 LYS A 6 49.420 49.945 32.238 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.948 51.298 34.147 1.00 0.00 H new ATOM 0 HE3 LYS A 6 50.974 51.847 32.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.507 53.455 34.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 49.965 53.822 32.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.419 53.194 33.064 1.00 0.00 H new ATOM 114 N THR A 7 50.511 51.792 27.210 1.00 0.00 N ATOM 115 CA THR A 7 51.743 51.649 26.460 1.00 0.00 C ATOM 116 C THR A 7 52.944 51.270 27.329 1.00 0.00 C ATOM 117 O THR A 7 52.889 51.372 28.553 1.00 0.00 O ATOM 118 CB THR A 7 52.071 52.946 25.726 1.00 0.00 C ATOM 119 OG1 THR A 7 52.335 53.981 26.645 1.00 0.00 O ATOM 120 CG2 THR A 7 50.958 53.423 24.796 1.00 0.00 C ATOM 0 H THR A 7 50.226 52.767 27.297 1.00 0.00 H new ATOM 0 HA THR A 7 51.569 50.834 25.757 1.00 0.00 H new ATOM 0 HB THR A 7 52.947 52.718 25.119 1.00 0.00 H new ATOM 0 HG1 THR A 7 51.491 54.307 27.022 1.00 0.00 H new ATOM 0 HG21 THR A 7 51.263 54.350 24.309 1.00 0.00 H new ATOM 0 HG22 THR A 7 50.765 52.662 24.040 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.051 53.598 25.374 1.00 0.00 H new ATOM 128 N LEU A 8 54.068 50.902 26.722 1.00 0.00 N ATOM 129 CA LEU A 8 55.325 50.650 27.398 1.00 0.00 C ATOM 130 C LEU A 8 55.989 51.916 27.942 1.00 0.00 C ATOM 131 O LEU A 8 56.819 51.832 28.844 1.00 0.00 O ATOM 132 CB LEU A 8 56.259 49.896 26.456 1.00 0.00 C ATOM 133 CG LEU A 8 55.750 48.560 25.922 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.767 47.988 24.938 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.519 47.522 27.016 1.00 0.00 C ATOM 0 H LEU A 8 54.125 50.768 25.712 1.00 0.00 H new ATOM 0 HA LEU A 8 55.110 50.039 28.275 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.481 50.541 25.606 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.200 49.720 26.977 1.00 0.00 H new ATOM 0 HG LEU A 8 54.791 48.763 25.445 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.406 47.034 24.555 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.903 48.683 24.110 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.720 47.838 25.446 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.158 46.596 26.569 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.456 47.331 27.540 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.778 47.897 27.722 1.00 0.00 H new ATOM 147 N THR A 9 55.581 53.100 27.496 1.00 0.00 N ATOM 148 CA THR A 9 55.859 54.376 28.124 1.00 0.00 C ATOM 149 C THR A 9 54.868 54.725 29.236 1.00 0.00 C ATOM 150 O THR A 9 54.788 55.869 29.679 1.00 0.00 O ATOM 151 CB THR A 9 56.038 55.505 27.113 1.00 0.00 C ATOM 152 OG1 THR A 9 55.057 55.477 26.101 1.00 0.00 O ATOM 153 CG2 THR A 9 57.397 55.433 26.425 1.00 0.00 C ATOM 0 H THR A 9 55.022 53.194 26.648 1.00 0.00 H new ATOM 0 HA THR A 9 56.824 54.259 28.617 1.00 0.00 H new ATOM 0 HB THR A 9 55.949 56.425 27.691 1.00 0.00 H new ATOM 0 HG1 THR A 9 54.263 55.005 26.428 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.488 56.253 25.712 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.187 55.512 27.171 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.488 54.483 25.899 1.00 0.00 H new ATOM 161 N GLY A 10 54.093 53.758 29.719 1.00 0.00 N ATOM 162 CA GLY A 10 53.220 53.853 30.871 1.00 0.00 C ATOM 163 C GLY A 10 51.914 54.617 30.650 1.00 0.00 C ATOM 164 O GLY A 10 50.943 54.375 31.364 1.00 0.00 O ATOM 0 H GLY A 10 54.060 52.835 29.286 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.978 52.844 31.205 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.768 54.334 31.681 1.00 0.00 H new ATOM 168 N LYS A 11 51.860 55.502 29.658 1.00 0.00 N ATOM 169 CA LYS A 11 50.725 56.341 29.335 1.00 0.00 C ATOM 170 C LYS A 11 49.706 55.643 28.432 1.00 0.00 C ATOM 171 O LYS A 11 49.991 54.595 27.858 1.00 0.00 O ATOM 172 CB LYS A 11 51.230 57.674 28.789 1.00 0.00 C ATOM 173 CG LYS A 11 52.051 57.557 27.508 1.00 0.00 C ATOM 174 CD LYS A 11 52.705 58.893 27.169 1.00 0.00 C ATOM 175 CE LYS A 11 53.542 58.743 25.901 1.00 0.00 C ATOM 176 NZ LYS A 11 54.250 59.990 25.573 1.00 0.00 N ATOM 0 H LYS A 11 52.649 55.656 29.031 1.00 0.00 H new ATOM 0 HA LYS A 11 50.161 56.545 30.245 1.00 0.00 H new ATOM 0 HB2 LYS A 11 50.375 58.324 28.601 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.837 58.160 29.553 1.00 0.00 H new ATOM 0 HG2 LYS A 11 52.817 56.791 27.628 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.410 57.240 26.686 1.00 0.00 H new ATOM 0 HD2 LYS A 11 51.942 59.658 27.025 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.334 59.222 27.996 1.00 0.00 H new ATOM 0 HE2 LYS A 11 54.264 57.937 26.033 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.897 58.460 25.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.809 59.854 24.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.559 60.752 25.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.883 60.246 26.357 1.00 0.00 H new ATOM 190 N THR A 12 48.515 56.220 28.296 1.00 0.00 N ATOM 191 CA THR A 12 47.419 55.644 27.546 1.00 0.00 C ATOM 192 C THR A 12 47.380 56.116 26.091 1.00 0.00 C ATOM 193 O THR A 12 47.707 57.265 25.800 1.00 0.00 O ATOM 194 CB THR A 12 46.089 55.919 28.244 1.00 0.00 C ATOM 195 OG1 THR A 12 46.087 55.312 29.517 1.00 0.00 O ATOM 196 CG2 THR A 12 44.876 55.338 27.526 1.00 0.00 C ATOM 0 H THR A 12 48.287 57.121 28.716 1.00 0.00 H new ATOM 0 HA THR A 12 47.588 54.568 27.516 1.00 0.00 H new ATOM 0 HB THR A 12 46.008 57.006 28.272 1.00 0.00 H new ATOM 0 HG1 THR A 12 45.233 55.491 29.964 1.00 0.00 H new ATOM 0 HG21 THR A 12 43.972 55.578 28.086 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.807 55.765 26.525 1.00 0.00 H new ATOM 0 HG23 THR A 12 44.981 54.256 27.452 1.00 0.00 H new ATOM 204 N ILE A 13 46.911 55.262 25.186 1.00 0.00 N ATOM 205 CA ILE A 13 46.371 55.609 23.888 1.00 0.00 C ATOM 206 C ILE A 13 44.929 55.116 23.754 1.00 0.00 C ATOM 207 O ILE A 13 44.552 54.125 24.375 1.00 0.00 O ATOM 208 CB ILE A 13 47.247 55.106 22.743 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.369 53.585 22.720 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.601 55.808 22.784 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.139 53.025 21.527 1.00 0.00 C ATOM 0 H ILE A 13 46.900 54.256 25.354 1.00 0.00 H new ATOM 0 HA ILE A 13 46.366 56.697 23.816 1.00 0.00 H new ATOM 0 HB ILE A 13 46.761 55.362 21.802 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.860 53.260 23.637 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.368 53.154 22.724 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.223 55.446 21.965 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.456 56.884 22.682 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.092 55.596 23.734 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.175 51.938 21.595 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.639 53.315 20.603 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.154 53.422 21.530 1.00 0.00 H new ATOM 223 N THR A 14 44.126 55.777 22.926 1.00 0.00 N ATOM 224 CA THR A 14 42.746 55.432 22.648 1.00 0.00 C ATOM 225 C THR A 14 42.643 54.637 21.345 1.00 0.00 C ATOM 226 O THR A 14 43.332 54.951 20.377 1.00 0.00 O ATOM 227 CB THR A 14 41.878 56.685 22.566 1.00 0.00 C ATOM 228 OG1 THR A 14 42.110 57.508 23.686 1.00 0.00 O ATOM 229 CG2 THR A 14 40.381 56.390 22.547 1.00 0.00 C ATOM 0 H THR A 14 44.437 56.601 22.412 1.00 0.00 H new ATOM 0 HA THR A 14 42.383 54.812 23.468 1.00 0.00 H new ATOM 0 HB THR A 14 42.156 57.167 21.629 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.898 57.013 24.505 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.826 57.326 22.488 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.143 55.772 21.681 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.103 55.861 23.458 1.00 0.00 H new ATOM 237 N LEU A 15 41.773 53.631 21.301 1.00 0.00 N ATOM 238 CA LEU A 15 41.570 52.769 20.154 1.00 0.00 C ATOM 239 C LEU A 15 40.089 52.648 19.791 1.00 0.00 C ATOM 240 O LEU A 15 39.246 52.530 20.678 1.00 0.00 O ATOM 241 CB LEU A 15 42.171 51.399 20.458 1.00 0.00 C ATOM 242 CG LEU A 15 43.028 50.852 19.321 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.395 51.529 19.262 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.233 49.356 19.545 1.00 0.00 C ATOM 0 H LEU A 15 41.174 53.391 22.091 1.00 0.00 H new ATOM 0 HA LEU A 15 42.069 53.207 19.289 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.778 51.468 21.361 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.366 50.695 20.668 1.00 0.00 H new ATOM 0 HG LEU A 15 42.513 51.048 18.381 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.973 51.110 18.438 1.00 0.00 H new ATOM 0 HD12 LEU A 15 44.264 52.600 19.106 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.925 51.361 20.200 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.844 48.948 18.740 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.735 49.196 20.499 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.266 48.854 19.556 1.00 0.00 H new ATOM 256 N GLU A 16 39.779 52.622 18.497 1.00 0.00 N ATOM 257 CA GLU A 16 38.430 52.539 17.975 1.00 0.00 C ATOM 258 C GLU A 16 38.111 51.126 17.482 1.00 0.00 C ATOM 259 O GLU A 16 38.792 50.594 16.607 1.00 0.00 O ATOM 260 CB GLU A 16 38.273 53.595 16.884 1.00 0.00 C ATOM 261 CG GLU A 16 36.884 53.647 16.255 1.00 0.00 C ATOM 262 CD GLU A 16 35.772 53.957 17.259 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.893 54.955 18.003 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.755 53.232 17.256 1.00 0.00 O ATOM 0 H GLU A 16 40.488 52.660 17.764 1.00 0.00 H new ATOM 0 HA GLU A 16 37.707 52.742 18.765 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.505 54.573 17.305 1.00 0.00 H new ATOM 0 HB3 GLU A 16 39.007 53.403 16.101 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.877 54.404 15.471 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.674 52.691 15.776 1.00 0.00 H new ATOM 271 N VAL A 17 37.096 50.494 18.062 1.00 0.00 N ATOM 272 CA VAL A 17 36.778 49.089 17.897 1.00 0.00 C ATOM 273 C VAL A 17 35.272 48.825 17.938 1.00 0.00 C ATOM 274 O VAL A 17 34.512 49.602 18.513 1.00 0.00 O ATOM 275 CB VAL A 17 37.456 48.249 18.975 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.979 48.263 18.879 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.062 48.676 20.386 1.00 0.00 C ATOM 0 H VAL A 17 36.447 50.973 18.687 1.00 0.00 H new ATOM 0 HA VAL A 17 37.151 48.804 16.913 1.00 0.00 H new ATOM 0 HB VAL A 17 37.100 47.236 18.788 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.399 47.647 19.674 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.286 47.866 17.911 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.341 49.286 18.983 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.573 48.045 21.113 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.347 49.716 20.544 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.984 48.572 20.510 1.00 0.00 H new ATOM 287 N GLU A 18 34.836 47.691 17.399 1.00 0.00 N ATOM 288 CA GLU A 18 33.535 47.109 17.662 1.00 0.00 C ATOM 289 C GLU A 18 33.620 46.075 18.786 1.00 0.00 C ATOM 290 O GLU A 18 34.658 45.434 18.934 1.00 0.00 O ATOM 291 CB GLU A 18 32.992 46.458 16.393 1.00 0.00 C ATOM 292 CG GLU A 18 32.335 47.439 15.427 1.00 0.00 C ATOM 293 CD GLU A 18 30.914 47.798 15.864 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.996 46.989 15.610 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.708 48.870 16.472 1.00 0.00 O ATOM 0 H GLU A 18 35.398 47.140 16.750 1.00 0.00 H new ATOM 0 HA GLU A 18 32.858 47.903 17.977 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.808 45.949 15.880 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.265 45.695 16.671 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.936 48.346 15.364 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.309 47.004 14.428 1.00 0.00 H new ATOM 302 N PRO A 19 32.557 45.788 19.531 1.00 0.00 N ATOM 303 CA PRO A 19 32.537 44.666 20.449 1.00 0.00 C ATOM 304 C PRO A 19 32.822 43.318 19.783 1.00 0.00 C ATOM 305 O PRO A 19 33.363 42.413 20.414 1.00 0.00 O ATOM 306 CB PRO A 19 31.155 44.684 21.096 1.00 0.00 C ATOM 307 CG PRO A 19 30.682 46.127 20.943 1.00 0.00 C ATOM 308 CD PRO A 19 31.349 46.580 19.647 1.00 0.00 C ATOM 0 HA PRO A 19 33.338 44.774 21.180 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.476 43.989 20.602 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.204 44.391 22.145 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.596 46.190 20.879 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.988 46.742 21.789 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.692 46.420 18.792 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.580 47.645 19.677 1.00 0.00 H new ATOM 316 N SER A 20 32.481 43.177 18.505 1.00 0.00 N ATOM 317 CA SER A 20 32.725 42.002 17.693 1.00 0.00 C ATOM 318 C SER A 20 34.138 41.920 17.112 1.00 0.00 C ATOM 319 O SER A 20 34.416 41.007 16.337 1.00 0.00 O ATOM 320 CB SER A 20 31.696 41.956 16.566 1.00 0.00 C ATOM 321 OG SER A 20 30.383 42.039 17.072 1.00 0.00 O ATOM 0 H SER A 20 32.005 43.917 17.989 1.00 0.00 H new ATOM 0 HA SER A 20 32.629 41.140 18.354 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.874 42.778 15.873 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.813 41.032 16.000 1.00 0.00 H new ATOM 0 HG SER A 20 29.744 42.009 16.330 1.00 0.00 H new ATOM 327 N ASP A 21 35.030 42.858 17.414 1.00 0.00 N ATOM 328 CA ASP A 21 36.340 42.972 16.804 1.00 0.00 C ATOM 329 C ASP A 21 37.345 41.975 17.386 1.00 0.00 C ATOM 330 O ASP A 21 37.385 41.768 18.598 1.00 0.00 O ATOM 331 CB ASP A 21 36.816 44.416 16.919 1.00 0.00 C ATOM 332 CG ASP A 21 37.738 44.896 15.797 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.798 44.237 14.737 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.236 46.041 15.860 1.00 0.00 O ATOM 0 H ASP A 21 34.851 43.580 18.112 1.00 0.00 H new ATOM 0 HA ASP A 21 36.262 42.711 15.749 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.942 45.067 16.951 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.337 44.534 17.869 1.00 0.00 H new ATOM 339 N THR A 22 38.151 41.354 16.531 1.00 0.00 N ATOM 340 CA THR A 22 39.128 40.343 16.878 1.00 0.00 C ATOM 341 C THR A 22 40.442 40.960 17.357 1.00 0.00 C ATOM 342 O THR A 22 40.842 42.013 16.865 1.00 0.00 O ATOM 343 CB THR A 22 39.327 39.374 15.716 1.00 0.00 C ATOM 344 OG1 THR A 22 39.709 38.086 16.144 1.00 0.00 O ATOM 345 CG2 THR A 22 40.345 39.806 14.665 1.00 0.00 C ATOM 0 H THR A 22 38.135 41.556 15.531 1.00 0.00 H new ATOM 0 HA THR A 22 38.741 39.771 17.721 1.00 0.00 H new ATOM 0 HB THR A 22 38.339 39.368 15.256 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.651 38.097 16.414 1.00 0.00 H new ATOM 0 HG21 THR A 22 40.408 39.046 13.886 1.00 0.00 H new ATOM 0 HG22 THR A 22 40.033 40.753 14.224 1.00 0.00 H new ATOM 0 HG23 THR A 22 41.322 39.928 15.133 1.00 0.00 H new ATOM 353 N ILE A 23 41.162 40.303 18.263 1.00 0.00 N ATOM 354 CA ILE A 23 42.371 40.845 18.851 1.00 0.00 C ATOM 355 C ILE A 23 43.470 41.129 17.824 1.00 0.00 C ATOM 356 O ILE A 23 44.197 42.105 17.993 1.00 0.00 O ATOM 357 CB ILE A 23 42.839 39.989 20.025 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.198 40.409 21.344 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.346 40.018 20.261 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.681 40.276 21.446 1.00 0.00 C ATOM 0 H ILE A 23 40.917 39.375 18.608 1.00 0.00 H new ATOM 0 HA ILE A 23 42.121 41.827 19.254 1.00 0.00 H new ATOM 0 HB ILE A 23 42.533 38.985 19.731 1.00 0.00 H new ATOM 0 HG12 ILE A 23 42.645 39.817 22.143 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.461 41.450 21.533 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.593 39.384 21.113 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.860 39.650 19.373 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.663 41.041 20.466 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.352 40.607 22.431 1.00 0.00 H new ATOM 0 HD12 ILE A 23 40.209 40.892 20.680 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.396 39.234 21.299 1.00 0.00 H new ATOM 372 N GLU A 24 43.579 40.377 16.732 1.00 0.00 N ATOM 373 CA GLU A 24 44.521 40.690 15.677 1.00 0.00 C ATOM 374 C GLU A 24 44.300 42.075 15.067 1.00 0.00 C ATOM 375 O GLU A 24 45.261 42.806 14.836 1.00 0.00 O ATOM 376 CB GLU A 24 44.487 39.583 14.627 1.00 0.00 C ATOM 377 CG GLU A 24 45.567 39.748 13.561 1.00 0.00 C ATOM 378 CD GLU A 24 45.775 38.448 12.783 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.757 37.724 13.058 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.950 38.118 11.904 1.00 0.00 O ATOM 0 H GLU A 24 43.019 39.542 16.560 1.00 0.00 H new ATOM 0 HA GLU A 24 45.518 40.734 16.115 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.612 38.618 15.118 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.508 39.572 14.148 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.285 40.546 12.874 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.504 40.048 14.031 1.00 0.00 H new ATOM 387 N ASN A 25 43.053 42.505 14.899 1.00 0.00 N ATOM 388 CA ASN A 25 42.745 43.844 14.440 1.00 0.00 C ATOM 389 C ASN A 25 43.059 44.904 15.499 1.00 0.00 C ATOM 390 O ASN A 25 43.528 45.989 15.163 1.00 0.00 O ATOM 391 CB ASN A 25 41.286 43.911 13.996 1.00 0.00 C ATOM 392 CG ASN A 25 40.954 45.168 13.188 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.784 45.783 12.524 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.696 45.601 13.208 1.00 0.00 N ATOM 0 H ASN A 25 42.230 41.929 15.079 1.00 0.00 H new ATOM 0 HA ASN A 25 43.385 44.068 13.586 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.056 43.031 13.396 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.644 43.874 14.876 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.434 46.432 12.677 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.994 45.102 13.754 1.00 0.00 H new ATOM 401 N VAL A 26 42.873 44.594 16.778 1.00 0.00 N ATOM 402 CA VAL A 26 43.274 45.447 17.879 1.00 0.00 C ATOM 403 C VAL A 26 44.790 45.654 17.873 1.00 0.00 C ATOM 404 O VAL A 26 45.245 46.790 17.982 1.00 0.00 O ATOM 405 CB VAL A 26 42.781 44.905 19.218 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.137 45.804 20.399 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.265 44.738 19.240 1.00 0.00 C ATOM 0 H VAL A 26 42.431 43.725 17.078 1.00 0.00 H new ATOM 0 HA VAL A 26 42.803 46.420 17.742 1.00 0.00 H new ATOM 0 HB VAL A 26 43.285 43.944 19.321 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.758 45.362 21.320 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.220 45.907 20.465 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.687 46.787 20.257 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.956 44.350 20.211 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.790 45.704 19.067 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.964 44.041 18.458 1.00 0.00 H new ATOM 417 N LYS A 27 45.580 44.608 17.644 1.00 0.00 N ATOM 418 CA LYS A 27 47.022 44.700 17.530 1.00 0.00 C ATOM 419 C LYS A 27 47.472 45.507 16.310 1.00 0.00 C ATOM 420 O LYS A 27 48.377 46.330 16.420 1.00 0.00 O ATOM 421 CB LYS A 27 47.638 43.304 17.520 1.00 0.00 C ATOM 422 CG LYS A 27 47.518 42.591 18.864 1.00 0.00 C ATOM 423 CD LYS A 27 48.088 41.180 18.747 1.00 0.00 C ATOM 424 CE LYS A 27 48.080 40.476 20.102 1.00 0.00 C ATOM 425 NZ LYS A 27 48.686 39.141 19.993 1.00 0.00 N ATOM 0 H LYS A 27 45.224 43.659 17.531 1.00 0.00 H new ATOM 0 HA LYS A 27 47.380 45.244 18.404 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.152 42.703 16.751 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.691 43.379 17.247 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.054 43.148 19.632 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.473 42.548 19.172 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.502 40.605 18.030 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.107 41.226 18.362 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.628 41.072 20.831 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.057 40.388 20.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.341 38.539 20.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.425 38.715 19.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.721 39.224 20.053 1.00 0.00 H new ATOM 439 N ALA A 28 46.824 45.334 15.162 1.00 0.00 N ATOM 440 CA ALA A 28 47.108 46.119 13.977 1.00 0.00 C ATOM 441 C ALA A 28 46.758 47.599 14.145 1.00 0.00 C ATOM 442 O ALA A 28 47.502 48.454 13.671 1.00 0.00 O ATOM 443 CB ALA A 28 46.385 45.469 12.800 1.00 0.00 C ATOM 0 H ALA A 28 46.086 44.642 15.032 1.00 0.00 H new ATOM 0 HA ALA A 28 48.182 46.119 13.790 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.581 46.040 11.892 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.744 44.448 12.671 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.313 45.454 12.995 1.00 0.00 H new ATOM 449 N LYS A 29 45.705 47.935 14.884 1.00 0.00 N ATOM 450 CA LYS A 29 45.371 49.288 15.279 1.00 0.00 C ATOM 451 C LYS A 29 46.377 49.885 16.264 1.00 0.00 C ATOM 452 O LYS A 29 46.679 51.073 16.171 1.00 0.00 O ATOM 453 CB LYS A 29 43.961 49.311 15.860 1.00 0.00 C ATOM 454 CG LYS A 29 42.878 49.170 14.793 1.00 0.00 C ATOM 455 CD LYS A 29 41.503 48.911 15.403 1.00 0.00 C ATOM 456 CE LYS A 29 40.488 48.735 14.276 1.00 0.00 C ATOM 457 NZ LYS A 29 39.136 48.469 14.793 1.00 0.00 N ATOM 0 H LYS A 29 45.041 47.244 15.234 1.00 0.00 H new ATOM 0 HA LYS A 29 45.414 49.914 14.388 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.858 48.503 16.584 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.811 50.245 16.402 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.842 50.078 14.191 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.136 48.352 14.121 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.530 48.019 16.029 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.213 49.742 16.045 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.471 49.634 13.659 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.799 47.912 13.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.447 48.540 14.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.102 47.512 15.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.902 49.166 15.528 1.00 0.00 H new ATOM 471 N ILE A 30 46.935 49.083 17.167 1.00 0.00 N ATOM 472 CA ILE A 30 48.010 49.484 18.052 1.00 0.00 C ATOM 473 C ILE A 30 49.299 49.749 17.273 1.00 0.00 C ATOM 474 O ILE A 30 49.985 50.725 17.568 1.00 0.00 O ATOM 475 CB ILE A 30 48.198 48.458 19.166 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.035 48.531 20.152 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.511 48.632 19.922 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.903 47.307 21.054 1.00 0.00 C ATOM 0 H ILE A 30 46.641 48.116 17.302 1.00 0.00 H new ATOM 0 HA ILE A 30 47.738 50.427 18.526 1.00 0.00 H new ATOM 0 HB ILE A 30 48.226 47.481 18.684 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.157 49.417 20.776 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.107 48.659 19.594 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.586 47.873 20.701 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.346 48.525 19.230 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.541 49.622 20.376 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.053 47.439 21.724 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.748 46.419 20.442 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.813 47.188 21.642 1.00 0.00 H new ATOM 490 N GLN A 31 49.623 48.957 16.254 1.00 0.00 N ATOM 491 CA GLN A 31 50.783 49.167 15.413 1.00 0.00 C ATOM 492 C GLN A 31 50.769 50.543 14.745 1.00 0.00 C ATOM 493 O GLN A 31 51.816 51.182 14.671 1.00 0.00 O ATOM 494 CB GLN A 31 50.874 48.063 14.362 1.00 0.00 C ATOM 495 CG GLN A 31 52.153 48.120 13.532 1.00 0.00 C ATOM 496 CD GLN A 31 52.203 47.076 12.414 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.191 46.532 11.976 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.378 46.775 11.870 1.00 0.00 N ATOM 0 H GLN A 31 49.073 48.139 15.991 1.00 0.00 H new ATOM 0 HA GLN A 31 51.665 49.130 16.052 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.814 47.094 14.858 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.014 48.134 13.696 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.249 49.114 13.095 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.010 47.977 14.190 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.229 47.215 12.219 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.428 46.104 11.104 1.00 0.00 H new ATOM 507 N ASP A 32 49.612 51.032 14.310 1.00 0.00 N ATOM 508 CA ASP A 32 49.471 52.349 13.721 1.00 0.00 C ATOM 509 C ASP A 32 49.974 53.472 14.631 1.00 0.00 C ATOM 510 O ASP A 32 50.688 54.358 14.168 1.00 0.00 O ATOM 511 CB ASP A 32 48.008 52.587 13.357 1.00 0.00 C ATOM 512 CG ASP A 32 47.839 53.837 12.491 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.224 53.777 11.304 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.298 54.860 12.963 1.00 0.00 O ATOM 0 H ASP A 32 48.736 50.512 14.360 1.00 0.00 H new ATOM 0 HA ASP A 32 50.095 52.371 12.828 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.619 51.719 12.824 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.418 52.692 14.268 1.00 0.00 H new ATOM 519 N LYS A 33 49.668 53.408 15.923 1.00 0.00 N ATOM 520 CA LYS A 33 50.049 54.418 16.890 1.00 0.00 C ATOM 521 C LYS A 33 51.434 54.203 17.503 1.00 0.00 C ATOM 522 O LYS A 33 52.199 55.162 17.583 1.00 0.00 O ATOM 523 CB LYS A 33 48.963 54.552 17.953 1.00 0.00 C ATOM 524 CG LYS A 33 47.706 55.194 17.373 1.00 0.00 C ATOM 525 CD LYS A 33 46.657 55.530 18.428 1.00 0.00 C ATOM 526 CE LYS A 33 45.523 56.300 17.758 1.00 0.00 C ATOM 527 NZ LYS A 33 44.538 56.803 18.728 1.00 0.00 N ATOM 0 H LYS A 33 49.139 52.637 16.329 1.00 0.00 H new ATOM 0 HA LYS A 33 50.136 55.360 16.349 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.721 53.569 18.356 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.334 55.154 18.783 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.983 56.106 16.844 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.268 54.519 16.638 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.276 54.618 18.887 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.100 56.126 19.226 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.938 57.138 17.197 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.022 55.652 17.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.788 57.319 18.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.121 56.003 19.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.008 57.443 19.400 1.00 0.00 H new ATOM 541 N GLU A 34 51.768 52.979 17.899 1.00 0.00 N ATOM 542 CA GLU A 34 52.923 52.643 18.709 1.00 0.00 C ATOM 543 C GLU A 34 54.031 51.867 17.994 1.00 0.00 C ATOM 544 O GLU A 34 55.075 51.615 18.591 1.00 0.00 O ATOM 545 CB GLU A 34 52.447 51.898 19.952 1.00 0.00 C ATOM 546 CG GLU A 34 51.983 52.841 21.059 1.00 0.00 C ATOM 547 CD GLU A 34 53.170 53.538 21.729 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.948 52.856 22.430 1.00 0.00 O ATOM 549 OE2 GLU A 34 53.355 54.759 21.531 1.00 0.00 O ATOM 0 H GLU A 34 51.213 52.160 17.650 1.00 0.00 H new ATOM 0 HA GLU A 34 53.399 53.588 18.970 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.628 51.232 19.681 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.256 51.272 20.328 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.307 53.588 20.644 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.419 52.280 21.805 1.00 0.00 H new ATOM 556 N GLY A 35 53.837 51.479 16.737 1.00 0.00 N ATOM 557 CA GLY A 35 54.870 50.966 15.859 1.00 0.00 C ATOM 558 C GLY A 35 55.252 49.495 16.022 1.00 0.00 C ATOM 559 O GLY A 35 55.866 48.936 15.114 1.00 0.00 O ATOM 0 H GLY A 35 52.921 51.517 16.291 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.547 51.120 14.829 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.768 51.567 16.004 1.00 0.00 H new ATOM 563 N ILE A 36 54.868 48.833 17.110 1.00 0.00 N ATOM 564 CA ILE A 36 55.235 47.457 17.380 1.00 0.00 C ATOM 565 C ILE A 36 54.499 46.504 16.435 1.00 0.00 C ATOM 566 O ILE A 36 53.271 46.555 16.405 1.00 0.00 O ATOM 567 CB ILE A 36 54.970 47.094 18.838 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.536 48.077 19.858 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.494 45.689 19.126 1.00 0.00 C ATOM 570 CD1 ILE A 36 57.045 48.295 19.806 1.00 0.00 C ATOM 0 H ILE A 36 54.285 49.249 17.836 1.00 0.00 H new ATOM 0 HA ILE A 36 56.305 47.352 17.201 1.00 0.00 H new ATOM 0 HB ILE A 36 53.888 47.140 18.958 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.044 49.040 19.718 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.273 47.727 20.856 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.302 45.436 20.169 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.988 44.972 18.479 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.567 45.655 18.936 1.00 0.00 H new ATOM 0 HD11 ILE A 36 57.336 49.012 20.574 1.00 0.00 H new ATOM 0 HD12 ILE A 36 57.556 47.348 19.981 1.00 0.00 H new ATOM 0 HD13 ILE A 36 57.323 48.681 18.825 1.00 0.00 H new ATOM 582 N PRO A 37 55.164 45.625 15.692 1.00 0.00 N ATOM 583 CA PRO A 37 54.510 44.648 14.842 1.00 0.00 C ATOM 584 C PRO A 37 53.549 43.729 15.598 1.00 0.00 C ATOM 585 O PRO A 37 53.850 43.359 16.731 1.00 0.00 O ATOM 586 CB PRO A 37 55.629 43.835 14.200 1.00 0.00 C ATOM 587 CG PRO A 37 56.823 44.787 14.211 1.00 0.00 C ATOM 588 CD PRO A 37 56.600 45.551 15.514 1.00 0.00 C ATOM 0 HA PRO A 37 53.890 45.161 14.107 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.837 42.926 14.764 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.370 43.529 13.186 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.773 44.252 14.208 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.827 45.448 13.345 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.071 45.038 16.353 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.039 46.547 15.462 1.00 0.00 H new ATOM 596 N PRO A 38 52.426 43.314 15.020 1.00 0.00 N ATOM 597 CA PRO A 38 51.397 42.582 15.733 1.00 0.00 C ATOM 598 C PRO A 38 51.856 41.226 16.271 1.00 0.00 C ATOM 599 O PRO A 38 51.404 40.812 17.336 1.00 0.00 O ATOM 600 CB PRO A 38 50.231 42.453 14.757 1.00 0.00 C ATOM 601 CG PRO A 38 50.885 42.555 13.382 1.00 0.00 C ATOM 602 CD PRO A 38 52.018 43.542 13.649 1.00 0.00 C ATOM 0 HA PRO A 38 51.112 43.122 16.636 1.00 0.00 H new ATOM 0 HB2 PRO A 38 49.710 41.504 14.881 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.495 43.243 14.908 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.256 41.591 13.033 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.192 42.923 12.626 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.848 43.379 12.962 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.683 44.569 13.507 1.00 0.00 H new ATOM 610 N ASP A 39 52.805 40.552 15.628 1.00 0.00 N ATOM 611 CA ASP A 39 53.377 39.326 16.146 1.00 0.00 C ATOM 612 C ASP A 39 54.221 39.527 17.407 1.00 0.00 C ATOM 613 O ASP A 39 54.410 38.584 18.172 1.00 0.00 O ATOM 614 CB ASP A 39 54.152 38.593 15.054 1.00 0.00 C ATOM 615 CG ASP A 39 55.548 39.158 14.786 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.651 40.325 14.350 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.539 38.421 14.983 1.00 0.00 O ATOM 0 H ASP A 39 53.195 40.846 14.733 1.00 0.00 H new ATOM 0 HA ASP A 39 52.541 38.700 16.459 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.245 37.543 15.333 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.575 38.627 14.130 1.00 0.00 H new ATOM 622 N GLN A 40 54.677 40.750 17.664 1.00 0.00 N ATOM 623 CA GLN A 40 55.460 41.134 18.821 1.00 0.00 C ATOM 624 C GLN A 40 54.632 41.772 19.939 1.00 0.00 C ATOM 625 O GLN A 40 55.180 42.253 20.929 1.00 0.00 O ATOM 626 CB GLN A 40 56.639 41.992 18.369 1.00 0.00 C ATOM 627 CG GLN A 40 57.843 41.761 19.277 1.00 0.00 C ATOM 628 CD GLN A 40 59.006 42.739 19.104 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.072 43.577 18.207 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.976 42.653 20.010 1.00 0.00 N ATOM 0 H GLN A 40 54.498 41.534 17.036 1.00 0.00 H new ATOM 0 HA GLN A 40 55.852 40.228 19.283 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.900 41.749 17.339 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.359 43.045 18.387 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.507 41.806 20.313 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.214 40.751 19.106 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.919 41.957 20.753 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.777 43.283 19.961 1.00 0.00 H new ATOM 639 N GLN A 41 53.308 41.762 19.824 1.00 0.00 N ATOM 640 CA GLN A 41 52.391 42.273 20.823 1.00 0.00 C ATOM 641 C GLN A 41 51.691 41.154 21.597 1.00 0.00 C ATOM 642 O GLN A 41 51.161 40.218 21.003 1.00 0.00 O ATOM 643 CB GLN A 41 51.334 43.169 20.182 1.00 0.00 C ATOM 644 CG GLN A 41 51.860 44.423 19.489 1.00 0.00 C ATOM 645 CD GLN A 41 50.706 45.246 18.915 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.606 45.288 19.460 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.868 45.901 17.770 1.00 0.00 N ATOM 0 H GLN A 41 52.833 41.384 19.004 1.00 0.00 H new ATOM 0 HA GLN A 41 52.992 42.851 21.525 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.778 42.579 19.453 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.626 43.472 20.953 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.426 45.026 20.198 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.546 44.143 18.690 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.771 45.883 17.296 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.090 46.421 17.366 1.00 0.00 H new ATOM 656 N ARG A 42 51.591 41.303 22.914 1.00 0.00 N ATOM 657 CA ARG A 42 50.682 40.551 23.756 1.00 0.00 C ATOM 658 C ARG A 42 49.756 41.520 24.496 1.00 0.00 C ATOM 659 O ARG A 42 50.227 42.537 25.000 1.00 0.00 O ATOM 660 CB ARG A 42 51.463 39.665 24.721 1.00 0.00 C ATOM 661 CG ARG A 42 52.170 38.514 24.009 1.00 0.00 C ATOM 662 CD ARG A 42 53.055 37.715 24.960 1.00 0.00 C ATOM 663 NE ARG A 42 52.268 37.064 26.007 1.00 0.00 N ATOM 664 CZ ARG A 42 52.378 37.221 27.335 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.344 37.954 27.902 1.00 0.00 N ATOM 666 NH2 ARG A 42 51.474 36.630 28.128 1.00 0.00 N ATOM 0 H ARG A 42 52.159 41.971 23.435 1.00 0.00 H new ATOM 0 HA ARG A 42 50.067 39.894 23.140 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.200 40.269 25.250 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.783 39.262 25.472 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.428 37.853 23.562 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.777 38.909 23.194 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.608 36.962 24.398 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.791 38.377 25.416 1.00 0.00 H new ATOM 0 HE ARG A 42 51.550 36.413 25.690 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.037 38.423 27.319 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.387 38.044 28.917 1.00 0.00 H new ATOM 0 HH21 ARG A 42 50.722 36.075 27.719 1.00 0.00 H new ATOM 0 HH22 ARG A 42 51.537 36.735 29.141 1.00 0.00 H new ATOM 680 N LEU A 43 48.463 41.213 24.548 1.00 0.00 N ATOM 681 CA LEU A 43 47.462 42.028 25.207 1.00 0.00 C ATOM 682 C LEU A 43 46.920 41.318 26.450 1.00 0.00 C ATOM 683 O LEU A 43 46.542 40.152 26.369 1.00 0.00 O ATOM 684 CB LEU A 43 46.338 42.394 24.242 1.00 0.00 C ATOM 685 CG LEU A 43 46.747 43.096 22.949 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.500 43.530 22.185 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.602 44.342 23.165 1.00 0.00 C ATOM 0 H LEU A 43 48.079 40.370 24.121 1.00 0.00 H new ATOM 0 HA LEU A 43 47.934 42.956 25.531 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.804 41.481 23.979 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.632 43.036 24.769 1.00 0.00 H new ATOM 0 HG LEU A 43 47.342 42.369 22.396 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.794 44.031 21.263 1.00 0.00 H new ATOM 0 HD12 LEU A 43 44.897 42.654 21.946 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.917 44.216 22.800 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.852 44.784 22.200 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.047 45.065 23.762 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.519 44.068 23.687 1.00 0.00 H new ATOM 699 N ILE A 44 46.890 42.017 27.581 1.00 0.00 N ATOM 700 CA ILE A 44 46.528 41.466 28.871 1.00 0.00 C ATOM 701 C ILE A 44 45.482 42.335 29.574 1.00 0.00 C ATOM 702 O ILE A 44 45.595 43.558 29.606 1.00 0.00 O ATOM 703 CB ILE A 44 47.756 41.209 29.738 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.783 40.352 29.002 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.364 40.555 31.059 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.995 39.914 29.819 1.00 0.00 C ATOM 0 H ILE A 44 47.124 43.009 27.620 1.00 0.00 H new ATOM 0 HA ILE A 44 46.065 40.494 28.700 1.00 0.00 H new ATOM 0 HB ILE A 44 48.214 42.174 29.955 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.281 39.460 28.626 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.136 40.908 28.134 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.258 40.382 31.659 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.684 41.211 31.602 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.870 39.604 30.862 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.656 39.312 29.196 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.532 40.794 30.173 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.664 39.323 30.673 1.00 0.00 H new ATOM 718 N PHE A 45 44.467 41.701 30.155 1.00 0.00 N ATOM 719 CA PHE A 45 43.408 42.334 30.916 1.00 0.00 C ATOM 720 C PHE A 45 42.993 41.462 32.102 1.00 0.00 C ATOM 721 O PHE A 45 42.688 40.285 31.921 1.00 0.00 O ATOM 722 CB PHE A 45 42.231 42.576 29.975 1.00 0.00 C ATOM 723 CG PHE A 45 41.042 43.272 30.592 1.00 0.00 C ATOM 724 CD1 PHE A 45 41.035 44.667 30.703 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.924 42.536 31.002 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.905 45.328 31.199 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.793 43.195 31.499 1.00 0.00 C ATOM 728 CZ PHE A 45 38.776 44.593 31.581 1.00 0.00 C ATOM 0 H PHE A 45 44.361 40.688 30.102 1.00 0.00 H new ATOM 0 HA PHE A 45 43.757 43.282 31.325 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.580 43.169 29.130 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.902 41.616 29.577 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.904 45.235 30.405 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.934 41.458 30.935 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.904 46.404 31.287 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.933 42.625 31.819 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.894 45.103 31.938 1.00 0.00 H new ATOM 738 N ALA A 46 42.988 42.008 33.314 1.00 0.00 N ATOM 739 CA ALA A 46 42.692 41.304 34.547 1.00 0.00 C ATOM 740 C ALA A 46 43.488 40.009 34.721 1.00 0.00 C ATOM 741 O ALA A 46 42.972 38.976 35.143 1.00 0.00 O ATOM 742 CB ALA A 46 41.178 41.158 34.681 1.00 0.00 C ATOM 0 H ALA A 46 43.200 42.994 33.465 1.00 0.00 H new ATOM 0 HA ALA A 46 43.040 41.899 35.392 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.944 40.630 35.605 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.718 42.146 34.701 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.790 40.594 33.833 1.00 0.00 H new ATOM 748 N GLY A 47 44.759 40.044 34.333 1.00 0.00 N ATOM 749 CA GLY A 47 45.676 38.921 34.281 1.00 0.00 C ATOM 750 C GLY A 47 45.497 37.955 33.109 1.00 0.00 C ATOM 751 O GLY A 47 46.390 37.146 32.868 1.00 0.00 O ATOM 0 H GLY A 47 45.199 40.913 34.029 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.693 39.311 34.251 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.578 38.356 35.208 1.00 0.00 H new ATOM 755 N LYS A 48 44.405 38.032 32.353 1.00 0.00 N ATOM 756 CA LYS A 48 44.091 37.151 31.246 1.00 0.00 C ATOM 757 C LYS A 48 44.801 37.598 29.966 1.00 0.00 C ATOM 758 O LYS A 48 44.721 38.772 29.610 1.00 0.00 O ATOM 759 CB LYS A 48 42.584 37.102 31.014 1.00 0.00 C ATOM 760 CG LYS A 48 41.807 36.537 32.200 1.00 0.00 C ATOM 761 CD LYS A 48 40.298 36.664 32.001 1.00 0.00 C ATOM 762 CE LYS A 48 39.570 36.023 33.178 1.00 0.00 C ATOM 763 NZ LYS A 48 38.111 36.162 33.063 1.00 0.00 N ATOM 0 H LYS A 48 43.689 38.742 32.506 1.00 0.00 H new ATOM 0 HA LYS A 48 44.444 36.153 31.504 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.224 38.108 30.799 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.379 36.495 30.132 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.068 35.488 32.339 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.099 37.062 33.109 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.019 37.714 31.917 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.002 36.180 31.070 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.830 34.966 33.234 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.906 36.484 34.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.654 35.713 33.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.859 37.171 33.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 37.786 35.700 32.190 1.00 0.00 H new ATOM 777 N GLN A 49 45.427 36.673 29.244 1.00 0.00 N ATOM 778 CA GLN A 49 45.904 36.914 27.898 1.00 0.00 C ATOM 779 C GLN A 49 44.727 36.917 26.921 1.00 0.00 C ATOM 780 O GLN A 49 43.930 35.982 26.910 1.00 0.00 O ATOM 781 CB GLN A 49 46.956 35.879 27.507 1.00 0.00 C ATOM 782 CG GLN A 49 47.457 36.058 26.077 1.00 0.00 C ATOM 783 CD GLN A 49 48.707 35.226 25.787 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.832 35.719 25.833 1.00 0.00 O ATOM 785 NE2 GLN A 49 48.592 33.930 25.511 1.00 0.00 N ATOM 0 H GLN A 49 45.616 35.730 29.585 1.00 0.00 H new ATOM 0 HA GLN A 49 46.380 37.894 27.858 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.799 35.947 28.194 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.535 34.880 27.617 1.00 0.00 H new ATOM 0 HG2 GLN A 49 46.667 35.776 25.381 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.676 37.111 25.901 1.00 0.00 H new ATOM 0 HE21 GLN A 49 47.669 33.498 25.467 1.00 0.00 H new ATOM 0 HE22 GLN A 49 49.427 33.368 25.343 1.00 0.00 H new ATOM 794 N LEU A 50 44.648 37.950 26.087 1.00 0.00 N ATOM 795 CA LEU A 50 43.629 38.104 25.068 1.00 0.00 C ATOM 796 C LEU A 50 44.154 37.557 23.738 1.00 0.00 C ATOM 797 O LEU A 50 45.206 37.986 23.268 1.00 0.00 O ATOM 798 CB LEU A 50 43.198 39.564 24.977 1.00 0.00 C ATOM 799 CG LEU A 50 42.889 40.256 26.301 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.476 41.699 26.023 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.767 39.571 27.075 1.00 0.00 C ATOM 0 H LEU A 50 45.314 38.723 26.107 1.00 0.00 H new ATOM 0 HA LEU A 50 42.741 37.529 25.330 1.00 0.00 H new ATOM 0 HB2 LEU A 50 43.986 40.124 24.473 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.312 39.621 24.345 1.00 0.00 H new ATOM 0 HG LEU A 50 43.791 40.208 26.910 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.253 42.201 26.964 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.290 42.219 25.518 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.590 41.708 25.388 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.590 40.106 28.008 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.856 39.575 26.476 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.052 38.542 27.295 1.00 0.00 H new ATOM 813 N GLU A 51 43.458 36.583 23.159 1.00 0.00 N ATOM 814 CA GLU A 51 43.948 35.733 22.092 1.00 0.00 C ATOM 815 C GLU A 51 43.429 36.153 20.716 1.00 0.00 C ATOM 816 O GLU A 51 42.301 36.621 20.580 1.00 0.00 O ATOM 817 CB GLU A 51 43.614 34.278 22.408 1.00 0.00 C ATOM 818 CG GLU A 51 44.319 33.787 23.670 1.00 0.00 C ATOM 819 CD GLU A 51 43.893 32.373 24.070 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.663 31.527 23.179 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.810 32.086 25.284 1.00 0.00 O ATOM 0 H GLU A 51 42.502 36.360 23.435 1.00 0.00 H new ATOM 0 HA GLU A 51 45.031 35.845 22.039 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.536 34.173 22.531 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.901 33.649 21.565 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.397 33.806 23.510 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.106 34.472 24.490 1.00 0.00 H new ATOM 828 N ASP A 52 44.238 35.976 19.676 1.00 0.00 N ATOM 829 CA ASP A 52 44.149 36.708 18.427 1.00 0.00 C ATOM 830 C ASP A 52 42.870 36.478 17.621 1.00 0.00 C ATOM 831 O ASP A 52 42.317 37.425 17.065 1.00 0.00 O ATOM 832 CB ASP A 52 45.378 36.401 17.575 1.00 0.00 C ATOM 833 CG ASP A 52 46.685 36.756 18.286 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.189 35.923 19.069 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.214 37.869 18.076 1.00 0.00 O ATOM 0 H ASP A 52 44.997 35.295 19.685 1.00 0.00 H new ATOM 0 HA ASP A 52 44.112 37.762 18.703 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.383 35.342 17.319 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.315 36.955 16.639 1.00 0.00 H new ATOM 840 N GLY A 53 42.376 35.243 17.590 1.00 0.00 N ATOM 841 CA GLY A 53 41.142 34.866 16.932 1.00 0.00 C ATOM 842 C GLY A 53 39.879 35.103 17.763 1.00 0.00 C ATOM 843 O GLY A 53 38.785 34.925 17.234 1.00 0.00 O ATOM 0 H GLY A 53 42.844 34.456 18.039 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.058 35.424 16.000 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.194 33.810 16.668 1.00 0.00 H new ATOM 847 N ARG A 54 40.005 35.485 19.031 1.00 0.00 N ATOM 848 CA ARG A 54 38.906 35.828 19.911 1.00 0.00 C ATOM 849 C ARG A 54 38.578 37.320 19.831 1.00 0.00 C ATOM 850 O ARG A 54 39.366 38.111 19.319 1.00 0.00 O ATOM 851 CB ARG A 54 39.214 35.410 21.346 1.00 0.00 C ATOM 852 CG ARG A 54 39.594 33.949 21.574 1.00 0.00 C ATOM 853 CD ARG A 54 38.495 32.929 21.290 1.00 0.00 C ATOM 854 NE ARG A 54 38.298 32.638 19.870 1.00 0.00 N ATOM 855 CZ ARG A 54 39.122 31.949 19.070 1.00 0.00 C ATOM 856 NH1 ARG A 54 40.320 31.491 19.462 1.00 0.00 N ATOM 857 NH2 ARG A 54 38.770 31.684 17.805 1.00 0.00 N ATOM 0 H ARG A 54 40.914 35.565 19.486 1.00 0.00 H new ATOM 0 HA ARG A 54 38.025 35.279 19.579 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.029 36.034 21.713 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.341 35.633 21.959 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.454 33.714 20.947 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.914 33.833 22.610 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.733 32.001 21.810 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.557 33.296 21.707 1.00 0.00 H new ATOM 0 HE ARG A 54 37.444 32.998 19.445 1.00 0.00 H new ATOM 0 HH11 ARG A 54 40.645 31.662 20.414 1.00 0.00 H new ATOM 0 HH12 ARG A 54 40.906 30.971 18.809 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.871 32.007 17.447 1.00 0.00 H new ATOM 0 HH22 ARG A 54 39.401 31.159 17.199 1.00 0.00 H new ATOM 871 N THR A 55 37.409 37.704 20.337 1.00 0.00 N ATOM 872 CA THR A 55 36.885 39.054 20.263 1.00 0.00 C ATOM 873 C THR A 55 36.752 39.735 21.625 1.00 0.00 C ATOM 874 O THR A 55 36.717 39.082 22.666 1.00 0.00 O ATOM 875 CB THR A 55 35.539 39.104 19.545 1.00 0.00 C ATOM 876 OG1 THR A 55 34.524 38.509 20.324 1.00 0.00 O ATOM 877 CG2 THR A 55 35.548 38.410 18.186 1.00 0.00 C ATOM 0 H THR A 55 36.785 37.060 20.824 1.00 0.00 H new ATOM 0 HA THR A 55 37.627 39.607 19.687 1.00 0.00 H new ATOM 0 HB THR A 55 35.342 40.165 19.391 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.622 37.534 20.299 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.559 38.484 17.733 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.281 38.889 17.538 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.810 37.360 18.315 1.00 0.00 H new ATOM 885 N LEU A 56 36.608 41.058 21.621 1.00 0.00 N ATOM 886 CA LEU A 56 36.349 41.837 22.815 1.00 0.00 C ATOM 887 C LEU A 56 35.101 41.377 23.571 1.00 0.00 C ATOM 888 O LEU A 56 35.120 41.342 24.799 1.00 0.00 O ATOM 889 CB LEU A 56 36.268 43.316 22.447 1.00 0.00 C ATOM 890 CG LEU A 56 37.545 43.900 21.851 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.322 45.368 21.496 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.735 43.846 22.805 1.00 0.00 C ATOM 0 H LEU A 56 36.670 41.621 20.773 1.00 0.00 H new ATOM 0 HA LEU A 56 37.180 41.680 23.503 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.455 43.454 21.734 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.008 43.884 23.340 1.00 0.00 H new ATOM 0 HG LEU A 56 37.773 43.292 20.975 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.236 45.782 21.071 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.514 45.448 20.768 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.056 45.924 22.395 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.611 44.277 22.319 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.504 44.413 23.707 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.941 42.809 23.071 1.00 0.00 H new ATOM 904 N SER A 57 34.050 40.958 22.871 1.00 0.00 N ATOM 905 CA SER A 57 32.856 40.388 23.463 1.00 0.00 C ATOM 906 C SER A 57 33.104 39.060 24.181 1.00 0.00 C ATOM 907 O SER A 57 32.524 38.851 25.244 1.00 0.00 O ATOM 908 CB SER A 57 31.779 40.149 22.409 1.00 0.00 C ATOM 909 OG SER A 57 31.371 41.375 21.845 1.00 0.00 O ATOM 0 H SER A 57 34.010 41.009 21.853 1.00 0.00 H new ATOM 0 HA SER A 57 32.530 41.124 24.197 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.162 39.491 21.629 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.924 39.645 22.860 1.00 0.00 H new ATOM 0 HG SER A 57 32.160 41.895 21.586 1.00 0.00 H new ATOM 915 N ASP A 58 33.973 38.195 23.666 1.00 0.00 N ATOM 916 CA ASP A 58 34.319 36.943 24.307 1.00 0.00 C ATOM 917 C ASP A 58 34.989 37.150 25.667 1.00 0.00 C ATOM 918 O ASP A 58 34.801 36.338 26.571 1.00 0.00 O ATOM 919 CB ASP A 58 35.217 36.085 23.421 1.00 0.00 C ATOM 920 CG ASP A 58 34.569 35.700 22.089 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.492 35.067 22.095 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.144 36.041 21.032 1.00 0.00 O ATOM 0 H ASP A 58 34.458 38.351 22.783 1.00 0.00 H new ATOM 0 HA ASP A 58 33.376 36.420 24.468 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.143 36.625 23.223 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.487 35.177 23.961 1.00 0.00 H new ATOM 927 N TYR A 59 35.688 38.267 25.845 1.00 0.00 N ATOM 928 CA TYR A 59 36.284 38.685 27.098 1.00 0.00 C ATOM 929 C TYR A 59 35.456 39.700 27.889 1.00 0.00 C ATOM 930 O TYR A 59 35.935 40.189 28.908 1.00 0.00 O ATOM 931 CB TYR A 59 37.705 39.175 26.828 1.00 0.00 C ATOM 932 CG TYR A 59 38.605 38.135 26.207 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.974 37.009 26.955 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.087 38.299 24.903 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.816 36.040 26.398 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.956 37.354 24.348 1.00 0.00 C ATOM 937 CZ TYR A 59 40.313 36.210 25.090 1.00 0.00 C ATOM 938 OH TYR A 59 41.147 35.277 24.549 1.00 0.00 O ATOM 0 H TYR A 59 35.858 38.928 25.087 1.00 0.00 H new ATOM 0 HA TYR A 59 36.311 37.815 27.754 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.660 40.042 26.169 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.147 39.510 27.766 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.608 36.889 27.964 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.787 39.159 24.323 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.085 35.164 26.969 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.352 37.500 23.354 1.00 0.00 H new ATOM 0 HH TYR A 59 40.941 34.396 24.926 1.00 0.00 H new ATOM 948 N ASN A 60 34.237 40.027 27.468 1.00 0.00 N ATOM 949 CA ASN A 60 33.370 40.994 28.110 1.00 0.00 C ATOM 950 C ASN A 60 34.030 42.359 28.325 1.00 0.00 C ATOM 951 O ASN A 60 33.892 42.986 29.373 1.00 0.00 O ATOM 952 CB ASN A 60 32.733 40.355 29.339 1.00 0.00 C ATOM 953 CG ASN A 60 31.554 41.158 29.893 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.646 41.824 30.922 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.410 41.133 29.215 1.00 0.00 N ATOM 0 H ASN A 60 33.816 39.607 26.639 1.00 0.00 H new ATOM 0 HA ASN A 60 32.553 41.255 27.437 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.393 39.351 29.084 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.488 40.247 30.117 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.608 41.667 29.549 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.335 40.580 28.361 1.00 0.00 H new ATOM 962 N ILE A 61 34.784 42.827 27.335 1.00 0.00 N ATOM 963 CA ILE A 61 35.424 44.126 27.346 1.00 0.00 C ATOM 964 C ILE A 61 34.441 45.131 26.743 1.00 0.00 C ATOM 965 O ILE A 61 34.193 45.137 25.540 1.00 0.00 O ATOM 966 CB ILE A 61 36.774 44.081 26.635 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.736 43.133 27.346 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.384 45.476 26.550 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.015 42.827 26.571 1.00 0.00 C ATOM 0 H ILE A 61 34.968 42.295 26.484 1.00 0.00 H new ATOM 0 HA ILE A 61 35.659 44.442 28.363 1.00 0.00 H new ATOM 0 HB ILE A 61 36.606 43.708 25.625 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.005 43.565 28.310 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.218 42.196 27.550 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.346 45.422 26.040 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.715 46.133 25.994 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.528 45.872 27.555 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.638 42.147 27.151 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.761 42.363 25.618 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.561 43.753 26.389 1.00 0.00 H new ATOM 981 N GLN A 62 33.838 45.960 27.592 1.00 0.00 N ATOM 982 CA GLN A 62 33.005 47.079 27.201 1.00 0.00 C ATOM 983 C GLN A 62 33.836 48.330 26.907 1.00 0.00 C ATOM 984 O GLN A 62 35.018 48.403 27.233 1.00 0.00 O ATOM 985 CB GLN A 62 31.968 47.351 28.287 1.00 0.00 C ATOM 986 CG GLN A 62 30.759 46.421 28.264 1.00 0.00 C ATOM 987 CD GLN A 62 31.076 44.957 28.572 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.986 44.081 27.714 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.444 44.625 29.806 1.00 0.00 N ATOM 0 H GLN A 62 33.923 45.862 28.604 1.00 0.00 H new ATOM 0 HA GLN A 62 32.491 46.817 26.276 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.452 47.271 29.260 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.620 48.379 28.188 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.027 46.780 28.987 1.00 0.00 H new ATOM 0 HG3 GLN A 62 30.291 46.479 27.281 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.522 45.344 30.526 1.00 0.00 H new ATOM 0 HE22 GLN A 62 31.648 43.652 30.033 1.00 0.00 H new ATOM 998 N LYS A 63 33.188 49.346 26.344 1.00 0.00 N ATOM 999 CA LYS A 63 33.690 50.687 26.122 1.00 0.00 C ATOM 1000 C LYS A 63 34.382 51.289 27.347 1.00 0.00 C ATOM 1001 O LYS A 63 34.019 50.997 28.484 1.00 0.00 O ATOM 1002 CB LYS A 63 32.538 51.568 25.647 1.00 0.00 C ATOM 1003 CG LYS A 63 31.424 51.758 26.671 1.00 0.00 C ATOM 1004 CD LYS A 63 30.188 52.412 26.060 1.00 0.00 C ATOM 1005 CE LYS A 63 29.028 52.472 27.050 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.280 53.391 28.170 1.00 0.00 N ATOM 0 H LYS A 63 32.230 49.240 26.009 1.00 0.00 H new ATOM 0 HA LYS A 63 34.464 50.633 25.356 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.934 52.546 25.374 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.113 51.132 24.743 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.151 50.791 27.092 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.789 52.372 27.494 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.436 53.421 25.730 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.882 51.854 25.175 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.125 52.785 26.526 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.839 51.473 27.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.460 53.392 28.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.125 53.080 28.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.433 54.352 27.803 1.00 0.00 H new ATOM 1020 N GLU A 64 35.375 52.138 27.101 1.00 0.00 N ATOM 1021 CA GLU A 64 36.155 52.870 28.080 1.00 0.00 C ATOM 1022 C GLU A 64 36.984 52.039 29.061 1.00 0.00 C ATOM 1023 O GLU A 64 37.659 52.591 29.927 1.00 0.00 O ATOM 1024 CB GLU A 64 35.301 53.930 28.769 1.00 0.00 C ATOM 1025 CG GLU A 64 34.640 54.911 27.805 1.00 0.00 C ATOM 1026 CD GLU A 64 33.852 55.965 28.584 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.671 55.721 28.914 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.426 57.027 28.909 1.00 0.00 O ATOM 0 H GLU A 64 35.672 52.343 26.147 1.00 0.00 H new ATOM 0 HA GLU A 64 36.932 53.364 27.496 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.527 53.435 29.356 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.924 54.487 29.469 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.399 55.395 27.189 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.974 54.375 27.128 1.00 0.00 H new ATOM 1035 N SER A 65 37.019 50.720 28.891 1.00 0.00 N ATOM 1036 CA SER A 65 37.953 49.834 29.555 1.00 0.00 C ATOM 1037 C SER A 65 39.391 50.069 29.090 1.00 0.00 C ATOM 1038 O SER A 65 39.624 50.405 27.932 1.00 0.00 O ATOM 1039 CB SER A 65 37.597 48.370 29.312 1.00 0.00 C ATOM 1040 OG SER A 65 36.242 48.106 29.596 1.00 0.00 O ATOM 0 H SER A 65 36.377 50.230 28.268 1.00 0.00 H new ATOM 0 HA SER A 65 37.881 50.058 30.619 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.808 48.112 28.274 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.229 47.735 29.933 1.00 0.00 H new ATOM 0 HG SER A 65 35.752 47.974 28.758 1.00 0.00 H new ATOM 1046 N THR A 66 40.358 49.843 29.975 1.00 0.00 N ATOM 1047 CA THR A 66 41.779 49.908 29.696 1.00 0.00 C ATOM 1048 C THR A 66 42.390 48.506 29.719 1.00 0.00 C ATOM 1049 O THR A 66 42.076 47.726 30.616 1.00 0.00 O ATOM 1050 CB THR A 66 42.501 50.808 30.695 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.937 52.100 30.714 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.977 51.019 30.366 1.00 0.00 C ATOM 0 H THR A 66 40.158 49.600 30.945 1.00 0.00 H new ATOM 0 HA THR A 66 41.903 50.337 28.702 1.00 0.00 H new ATOM 0 HB THR A 66 42.397 50.290 31.649 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.416 52.657 31.363 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.428 51.668 31.117 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.490 50.057 30.363 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.068 51.482 29.384 1.00 0.00 H new ATOM 1060 N LEU A 67 43.290 48.188 28.793 1.00 0.00 N ATOM 1061 CA LEU A 67 44.070 46.967 28.765 1.00 0.00 C ATOM 1062 C LEU A 67 45.570 47.244 28.646 1.00 0.00 C ATOM 1063 O LEU A 67 45.977 48.325 28.225 1.00 0.00 O ATOM 1064 CB LEU A 67 43.519 46.012 27.710 1.00 0.00 C ATOM 1065 CG LEU A 67 43.616 46.441 26.249 1.00 0.00 C ATOM 1066 CD1 LEU A 67 44.985 46.176 25.627 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.594 45.674 25.416 1.00 0.00 C ATOM 0 H LEU A 67 43.501 48.806 28.009 1.00 0.00 H new ATOM 0 HA LEU A 67 43.966 46.458 29.724 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.038 45.059 27.816 1.00 0.00 H new ATOM 0 HB3 LEU A 67 42.469 45.830 27.938 1.00 0.00 H new ATOM 0 HG LEU A 67 43.433 47.516 26.244 1.00 0.00 H new ATOM 0 HD11 LEU A 67 44.982 46.505 24.588 1.00 0.00 H new ATOM 0 HD12 LEU A 67 45.748 46.724 26.180 1.00 0.00 H new ATOM 0 HD13 LEU A 67 45.203 45.109 25.669 1.00 0.00 H new ATOM 0 HD21 LEU A 67 42.668 45.984 24.374 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.792 44.605 25.491 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.591 45.884 25.787 1.00 0.00 H new ATOM 1079 N HIS A 68 46.404 46.279 29.022 1.00 0.00 N ATOM 1080 CA HIS A 68 47.849 46.395 29.010 1.00 0.00 C ATOM 1081 C HIS A 68 48.453 45.836 27.720 1.00 0.00 C ATOM 1082 O HIS A 68 48.092 44.745 27.287 1.00 0.00 O ATOM 1083 CB HIS A 68 48.445 45.684 30.221 1.00 0.00 C ATOM 1084 CG HIS A 68 48.023 46.267 31.542 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.646 47.327 32.196 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.963 45.839 32.300 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.957 47.523 33.323 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.944 46.647 33.420 1.00 0.00 N ATOM 0 H HIS A 68 46.078 45.371 29.352 1.00 0.00 H new ATOM 0 HA HIS A 68 48.095 47.456 29.058 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.157 44.633 30.191 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.532 45.719 30.151 1.00 0.00 H new ATOM 0 HD2 HIS A 68 46.282 45.034 32.068 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.184 48.283 34.057 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.276 46.588 34.188 1.00 0.00 H new ATOM 1096 N LEU A 69 49.415 46.559 27.154 1.00 0.00 N ATOM 1097 CA LEU A 69 50.276 46.101 26.083 1.00 0.00 C ATOM 1098 C LEU A 69 51.605 45.598 26.652 1.00 0.00 C ATOM 1099 O LEU A 69 52.232 46.288 27.452 1.00 0.00 O ATOM 1100 CB LEU A 69 50.453 47.254 25.098 1.00 0.00 C ATOM 1101 CG LEU A 69 51.399 46.998 23.927 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.928 45.856 23.031 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.493 48.265 23.084 1.00 0.00 C ATOM 0 H LEU A 69 49.619 47.515 27.444 1.00 0.00 H new ATOM 0 HA LEU A 69 49.833 45.257 25.554 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.474 47.516 24.697 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.815 48.123 25.648 1.00 0.00 H new ATOM 0 HG LEU A 69 52.367 46.719 24.344 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.637 45.717 22.215 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.863 44.938 23.615 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.947 46.096 22.622 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.166 48.094 22.244 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.504 48.526 22.709 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.876 49.082 23.696 1.00 0.00 H new ATOM 1115 N VAL A 70 52.030 44.413 26.226 1.00 0.00 N ATOM 1116 CA VAL A 70 53.232 43.728 26.660 1.00 0.00 C ATOM 1117 C VAL A 70 54.078 43.329 25.450 1.00 0.00 C ATOM 1118 O VAL A 70 53.549 42.983 24.396 1.00 0.00 O ATOM 1119 CB VAL A 70 52.859 42.531 27.530 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.048 41.671 27.950 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.167 42.997 28.808 1.00 0.00 C ATOM 0 H VAL A 70 51.512 43.879 25.529 1.00 0.00 H new ATOM 0 HA VAL A 70 53.840 44.398 27.268 1.00 0.00 H new ATOM 0 HB VAL A 70 52.203 41.925 26.905 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.698 40.842 28.565 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.545 41.279 27.063 1.00 0.00 H new ATOM 0 HG13 VAL A 70 54.751 42.276 28.522 1.00 0.00 H new ATOM 0 HG21 VAL A 70 51.907 42.131 29.418 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.838 43.648 29.369 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.260 43.545 28.552 1.00 0.00 H new ATOM 1131 N LEU A 71 55.400 43.385 25.584 1.00 0.00 N ATOM 1132 CA LEU A 71 56.358 43.066 24.545 1.00 0.00 C ATOM 1133 C LEU A 71 56.693 41.573 24.495 1.00 0.00 C ATOM 1134 O LEU A 71 56.941 40.962 25.532 1.00 0.00 O ATOM 1135 CB LEU A 71 57.601 43.928 24.747 1.00 0.00 C ATOM 1136 CG LEU A 71 58.599 43.918 23.593 1.00 0.00 C ATOM 1137 CD1 LEU A 71 58.014 44.536 22.325 1.00 0.00 C ATOM 1138 CD2 LEU A 71 59.837 44.722 23.982 1.00 0.00 C ATOM 0 H LEU A 71 55.845 43.666 26.458 1.00 0.00 H new ATOM 0 HA LEU A 71 55.916 43.292 23.575 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.285 44.956 24.923 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.112 43.593 25.650 1.00 0.00 H new ATOM 0 HG LEU A 71 58.850 42.877 23.392 1.00 0.00 H new ATOM 0 HD11 LEU A 71 58.759 44.508 21.530 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.134 43.972 22.018 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.732 45.570 22.521 1.00 0.00 H new ATOM 0 HD21 LEU A 71 60.550 44.715 23.157 1.00 0.00 H new ATOM 0 HD22 LEU A 71 59.549 45.750 24.203 1.00 0.00 H new ATOM 0 HD23 LEU A 71 60.298 44.277 24.864 1.00 0.00 H new ATOM 1150 N ARG A 72 56.760 41.003 23.296 1.00 0.00 N ATOM 1151 CA ARG A 72 57.270 39.669 23.049 1.00 0.00 C ATOM 1152 C ARG A 72 58.748 39.713 22.656 1.00 0.00 C ATOM 1153 O ARG A 72 59.155 40.591 21.899 1.00 0.00 O ATOM 1154 CB ARG A 72 56.422 38.987 21.979 1.00 0.00 C ATOM 1155 CG ARG A 72 56.495 37.464 22.049 1.00 0.00 C ATOM 1156 CD ARG A 72 55.883 36.793 20.823 1.00 0.00 C ATOM 1157 NE ARG A 72 54.475 37.130 20.606 1.00 0.00 N ATOM 1158 CZ ARG A 72 53.407 36.521 21.140 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.511 35.564 22.071 1.00 0.00 N ATOM 1160 NH2 ARG A 72 52.165 36.860 20.766 1.00 0.00 N ATOM 0 H ARG A 72 56.450 41.476 22.447 1.00 0.00 H new ATOM 0 HA ARG A 72 57.202 39.084 23.966 1.00 0.00 H new ATOM 0 HB2 ARG A 72 55.384 39.302 22.089 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.753 39.317 20.994 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.537 37.157 22.145 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.977 37.119 22.944 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.455 37.079 19.940 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.976 35.712 20.927 1.00 0.00 H new ATOM 0 HE ARG A 72 54.286 37.913 19.981 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.431 35.272 22.401 1.00 0.00 H new ATOM 0 HH12 ARG A 72 52.671 35.128 22.450 1.00 0.00 H new ATOM 0 HH21 ARG A 72 52.024 37.589 20.067 1.00 0.00 H new ATOM 0 HH22 ARG A 72 51.361 36.388 21.180 1.00 0.00 H new ATOM 1174 N LEU A 73 59.530 38.762 23.157 1.00 0.00 N ATOM 1175 CA LEU A 73 60.939 38.596 22.858 1.00 0.00 C ATOM 1176 C LEU A 73 61.337 37.154 22.542 1.00 0.00 C ATOM 1177 O LEU A 73 62.343 36.943 21.869 1.00 0.00 O ATOM 1178 CB LEU A 73 61.768 39.142 24.018 1.00 0.00 C ATOM 1179 CG LEU A 73 61.644 40.636 24.300 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.427 40.987 25.562 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.186 41.495 23.161 1.00 0.00 C ATOM 0 H LEU A 73 59.180 38.060 23.809 1.00 0.00 H new ATOM 0 HA LEU A 73 61.141 39.161 21.948 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.489 38.600 24.922 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.817 38.918 23.823 1.00 0.00 H new ATOM 0 HG LEU A 73 60.581 40.845 24.417 1.00 0.00 H new ATOM 0 HD11 LEU A 73 62.337 42.055 25.761 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.027 40.425 26.406 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.477 40.732 25.421 1.00 0.00 H new ATOM 0 HD21 LEU A 73 62.073 42.549 23.415 1.00 0.00 H new ATOM 0 HD22 LEU A 73 63.241 41.270 23.006 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.632 41.280 22.248 1.00 0.00 H new ATOM 1193 N ARG A 74 60.588 36.150 22.990 1.00 0.00 N ATOM 1194 CA ARG A 74 60.774 34.755 22.643 1.00 0.00 C ATOM 1195 C ARG A 74 59.443 34.016 22.497 1.00 0.00 C ATOM 1196 O ARG A 74 58.437 34.425 23.073 1.00 0.00 O ATOM 1197 CB ARG A 74 61.735 34.065 23.607 1.00 0.00 C ATOM 1198 CG ARG A 74 61.362 34.056 25.087 1.00 0.00 C ATOM 1199 CD ARG A 74 60.350 33.002 25.528 1.00 0.00 C ATOM 1200 NE ARG A 74 60.865 31.643 25.350 1.00 0.00 N ATOM 1201 CZ ARG A 74 60.511 30.561 26.057 1.00 0.00 C ATOM 1202 NH1 ARG A 74 59.508 30.552 26.947 1.00 0.00 N ATOM 1203 NH2 ARG A 74 61.176 29.414 25.869 1.00 0.00 N ATOM 0 H ARG A 74 59.807 36.298 23.629 1.00 0.00 H new ATOM 0 HA ARG A 74 61.242 34.721 21.659 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.852 33.031 23.283 1.00 0.00 H new ATOM 0 HB3 ARG A 74 62.710 34.542 23.509 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.274 33.917 25.668 1.00 0.00 H new ATOM 0 HG3 ARG A 74 60.966 35.038 25.345 1.00 0.00 H new ATOM 0 HD2 ARG A 74 60.095 33.159 26.576 1.00 0.00 H new ATOM 0 HD3 ARG A 74 59.430 33.120 24.955 1.00 0.00 H new ATOM 0 HE ARG A 74 61.561 31.507 24.617 1.00 0.00 H new ATOM 0 HH11 ARG A 74 58.968 31.401 27.115 1.00 0.00 H new ATOM 0 HH12 ARG A 74 59.285 29.696 27.456 1.00 0.00 H new ATOM 0 HH21 ARG A 74 61.940 29.372 25.195 1.00 0.00 H new ATOM 0 HH22 ARG A 74 60.918 28.582 26.400 1.00 0.00 H new ATOM 1217 N GLY A 75 59.442 32.914 21.754 1.00 0.00 N ATOM 1218 CA GLY A 75 58.262 32.125 21.461 1.00 0.00 C ATOM 1219 C GLY A 75 58.554 30.914 20.572 1.00 0.00 C ATOM 1220 O GLY A 75 59.707 30.518 20.424 1.00 0.00 O ATOM 0 H GLY A 75 60.290 32.539 21.329 1.00 0.00 H new ATOM 0 HA2 GLY A 75 57.820 31.783 22.397 1.00 0.00 H new ATOM 0 HA3 GLY A 75 57.522 32.758 20.971 1.00 0.00 H new ATOM 1224 N GLY A 76 57.509 30.321 20.001 1.00 0.00 N ATOM 1225 CA GLY A 76 57.588 29.155 19.144 1.00 0.00 C ATOM 1226 C GLY A 76 57.607 29.497 17.653 1.00 0.00 C ATOM 1227 O GLY A 76 56.755 28.951 16.919 1.00 0.00 O ATOM 1228 OXT GLY A 76 58.483 30.271 17.208 1.00 0.00 O ATOM 0 H GLY A 76 56.554 30.655 20.130 1.00 0.00 H new ATOM 0 HA2 GLY A 76 58.488 28.592 19.391 1.00 0.00 H new ATOM 0 HA3 GLY A 76 56.738 28.504 19.349 1.00 0.00 H new TER 1232 GLY A 76