USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 617 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 70 SER OG : rot -56:sc= 1.54 USER MOD Set 1.2: A 73 ASN : amide:sc= 1.02 K(o=2.6,f=0.45) USER MOD Set 2.1: A 37 GLN : amide:sc= 0.447 X(o=0.94,f=0.82) USER MOD Set 2.2: A 43 THR OG1 : rot 140:sc= 0.49 USER MOD Set 3.1: A 2 ASN : amide:sc= 0.1 K(o=0.89,f=-3.7!) USER MOD Set 3.2: A 71 GLN : amide:sc= 0.793 K(o=0.89,f=-0.63) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0.849 (180deg=0.694) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.307 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl -164:sc= 0 (180deg=-0.0688) USER MOD Single : A 15 LYS NZ :NH3+ -170:sc= 0.741 (180deg=0.357) USER MOD Single : A 16 LYS NZ :NH3+ 130:sc= 1.04 (180deg=-0.72) USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= 0.816 (180deg=0.61) USER MOD Single : A 21 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.44) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=-1.67e-06) USER MOD Single : A 31 SER OG : rot 180:sc= 0.814 USER MOD Single : A 32 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.29) USER MOD Single : A 36 SER OG : rot -168:sc= 0.883 USER MOD Single : A 41 SER OG : rot -22:sc= 1.18 USER MOD Single : A 46 ASN : amide:sc= -0.0248 K(o=-0.025,f=-4.6!) USER MOD Single : A 49 ASN : amide:sc= 0.901 K(o=0.9,f=-1.6!) USER MOD Single : A 54 SER OG : rot 76:sc= 0.815 USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= -0.454 (180deg=-0.495) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 59 CYS SG : rot 78:sc= -0.427 USER MOD Single : A 60 SER OG : rot 180:sc= 0.11 USER MOD Single : A 63 TYR OH : rot -73:sc= 1.31 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.00894 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.600 4.192 2.328 1.00 11.47 N ATOM 2 CA MET A 1 18.424 5.023 2.646 1.00 10.42 C ATOM 3 C MET A 1 17.381 4.791 1.550 1.00 9.89 C ATOM 4 O MET A 1 17.601 3.905 0.727 1.00 10.43 O ATOM 5 CB MET A 1 18.813 6.504 2.842 1.00 11.22 C ATOM 6 CG MET A 1 19.913 7.012 1.895 1.00 12.40 C ATOM 7 SD MET A 1 19.806 6.440 0.182 1.00 13.23 S ATOM 8 CE MET A 1 21.331 7.123 -0.505 1.00 14.59 C ATOM 0 H1 MET A 1 20.294 4.263 3.099 1.00 11.47 H new ATOM 0 H2 MET A 1 19.305 3.201 2.217 1.00 11.47 H new ATOM 0 H3 MET A 1 20.032 4.526 1.443 1.00 11.47 H new ATOM 0 HA MET A 1 17.987 4.733 3.602 1.00 10.42 H new ATOM 0 HB2 MET A 1 17.924 7.120 2.707 1.00 11.22 H new ATOM 0 HB3 MET A 1 19.145 6.645 3.871 1.00 11.22 H new ATOM 0 HG2 MET A 1 19.892 8.102 1.896 1.00 12.40 H new ATOM 0 HG3 MET A 1 20.880 6.712 2.298 1.00 12.40 H new ATOM 0 HE1 MET A 1 21.408 6.854 -1.559 1.00 14.59 H new ATOM 0 HE2 MET A 1 21.320 8.209 -0.407 1.00 14.59 H new ATOM 0 HE3 MET A 1 22.187 6.719 0.036 1.00 14.59 H new ATOM 17 N ASN A 2 16.281 5.552 1.528 1.00 9.32 N ATOM 18 CA ASN A 2 15.278 5.503 0.462 1.00 9.35 C ATOM 19 C ASN A 2 14.688 4.096 0.294 1.00 8.31 C ATOM 20 O ASN A 2 14.351 3.671 -0.810 1.00 9.09 O ATOM 21 CB ASN A 2 15.881 6.072 -0.836 1.00 10.77 C ATOM 22 CG ASN A 2 14.879 6.182 -1.986 1.00 11.16 C ATOM 23 OD1 ASN A 2 13.779 6.713 -1.823 1.00 11.00 O ATOM 24 ND2 ASN A 2 15.261 5.699 -3.165 1.00 12.08 N ATOM 0 H ASN A 2 16.061 6.227 2.260 1.00 9.32 H new ATOM 0 HA ASN A 2 14.431 6.132 0.737 1.00 9.35 H new ATOM 0 HB2 ASN A 2 16.294 7.060 -0.631 1.00 10.77 H new ATOM 0 HB3 ASN A 2 16.711 5.438 -1.149 1.00 10.77 H new ATOM 0 HD21 ASN A 2 14.636 5.762 -3.969 1.00 12.08 H new ATOM 0 HD22 ASN A 2 16.179 5.265 -3.265 1.00 12.08 H new ATOM 31 N THR A 3 14.514 3.383 1.409 1.00 7.01 N ATOM 32 CA THR A 3 13.850 2.093 1.484 1.00 6.35 C ATOM 33 C THR A 3 13.528 1.822 2.951 1.00 4.76 C ATOM 34 O THR A 3 13.762 2.694 3.790 1.00 4.61 O ATOM 35 CB THR A 3 14.682 0.981 0.816 1.00 7.41 C ATOM 36 OG1 THR A 3 13.911 -0.205 0.752 1.00 8.31 O ATOM 37 CG2 THR A 3 15.996 0.700 1.552 1.00 7.57 C ATOM 0 H THR A 3 14.847 3.707 2.317 1.00 7.01 H new ATOM 0 HA THR A 3 12.918 2.106 0.919 1.00 6.35 H new ATOM 0 HB THR A 3 14.943 1.326 -0.185 1.00 7.41 H new ATOM 0 HG1 THR A 3 14.436 -0.914 0.326 1.00 8.31 H new ATOM 0 HG21 THR A 3 16.540 -0.092 1.037 1.00 7.57 H new ATOM 0 HG22 THR A 3 16.603 1.605 1.570 1.00 7.57 H new ATOM 0 HG23 THR A 3 15.781 0.387 2.574 1.00 7.57 H new ATOM 45 N GLN A 4 13.007 0.624 3.235 1.00 4.70 N ATOM 46 CA GLN A 4 12.450 0.223 4.519 1.00 4.08 C ATOM 47 C GLN A 4 11.116 0.943 4.768 1.00 2.77 C ATOM 48 O GLN A 4 10.774 1.889 4.060 1.00 3.33 O ATOM 49 CB GLN A 4 13.480 0.451 5.640 1.00 4.72 C ATOM 50 CG GLN A 4 13.356 -0.573 6.772 1.00 6.38 C ATOM 51 CD GLN A 4 14.426 -0.349 7.835 1.00 7.57 C ATOM 52 OE1 GLN A 4 15.363 -1.130 7.957 1.00 8.61 O ATOM 53 NE2 GLN A 4 14.302 0.725 8.609 1.00 7.85 N ATOM 0 H GLN A 4 12.963 -0.122 2.541 1.00 4.70 H new ATOM 0 HA GLN A 4 12.231 -0.845 4.509 1.00 4.08 H new ATOM 0 HB2 GLN A 4 14.485 0.403 5.220 1.00 4.72 H new ATOM 0 HB3 GLN A 4 13.352 1.454 6.047 1.00 4.72 H new ATOM 0 HG2 GLN A 4 12.368 -0.500 7.226 1.00 6.38 H new ATOM 0 HG3 GLN A 4 13.447 -1.581 6.367 1.00 6.38 H new ATOM 0 HE21 GLN A 4 13.511 1.356 8.483 1.00 7.85 H new ATOM 0 HE22 GLN A 4 14.998 0.918 9.329 1.00 7.85 H new ATOM 62 N LEU A 5 10.357 0.474 5.765 1.00 2.39 N ATOM 63 CA LEU A 5 9.087 1.053 6.191 1.00 1.58 C ATOM 64 C LEU A 5 8.133 1.164 4.995 1.00 1.24 C ATOM 65 O LEU A 5 7.759 2.253 4.545 1.00 1.31 O ATOM 66 CB LEU A 5 9.334 2.372 6.952 1.00 2.25 C ATOM 67 CG LEU A 5 8.441 2.570 8.191 1.00 2.53 C ATOM 68 CD1 LEU A 5 6.947 2.501 7.863 1.00 3.11 C ATOM 69 CD2 LEU A 5 8.795 1.587 9.315 1.00 3.01 C ATOM 0 H LEU A 5 10.622 -0.345 6.312 1.00 2.39 H new ATOM 0 HA LEU A 5 8.584 0.399 6.903 1.00 1.58 H new ATOM 0 HB2 LEU A 5 10.378 2.408 7.263 1.00 2.25 H new ATOM 0 HB3 LEU A 5 9.176 3.206 6.269 1.00 2.25 H new ATOM 0 HG LEU A 5 8.646 3.580 8.546 1.00 2.53 H new ATOM 0 HD11 LEU A 5 6.367 2.647 8.774 1.00 3.11 H new ATOM 0 HD12 LEU A 5 6.696 3.281 7.144 1.00 3.11 H new ATOM 0 HD13 LEU A 5 6.713 1.526 7.437 1.00 3.11 H new ATOM 0 HD21 LEU A 5 8.141 1.761 10.170 1.00 3.01 H new ATOM 0 HD22 LEU A 5 8.663 0.565 8.960 1.00 3.01 H new ATOM 0 HD23 LEU A 5 9.832 1.736 9.615 1.00 3.01 H new ATOM 81 N MET A 6 7.749 -0.002 4.467 1.00 1.14 N ATOM 82 CA MET A 6 6.868 -0.093 3.320 1.00 1.04 C ATOM 83 C MET A 6 5.593 0.706 3.552 1.00 0.94 C ATOM 84 O MET A 6 5.120 1.362 2.635 1.00 0.88 O ATOM 85 CB MET A 6 6.558 -1.552 2.989 1.00 1.41 C ATOM 86 CG MET A 6 7.707 -2.156 2.167 1.00 2.35 C ATOM 87 SD MET A 6 7.421 -3.777 1.416 1.00 2.37 S ATOM 88 CE MET A 6 7.194 -4.821 2.868 1.00 2.14 C ATOM 0 H MET A 6 8.047 -0.907 4.831 1.00 1.14 H new ATOM 0 HA MET A 6 7.379 0.341 2.461 1.00 1.04 H new ATOM 0 HB2 MET A 6 6.418 -2.121 3.908 1.00 1.41 H new ATOM 0 HB3 MET A 6 5.625 -1.617 2.429 1.00 1.41 H new ATOM 0 HG2 MET A 6 7.959 -1.455 1.372 1.00 2.35 H new ATOM 0 HG3 MET A 6 8.581 -2.232 2.813 1.00 2.35 H new ATOM 0 HE1 MET A 6 7.293 -5.868 2.582 1.00 2.14 H new ATOM 0 HE2 MET A 6 7.949 -4.575 3.614 1.00 2.14 H new ATOM 0 HE3 MET A 6 6.202 -4.651 3.287 1.00 2.14 H new ATOM 98 N GLY A 7 5.069 0.685 4.771 1.00 1.14 N ATOM 99 CA GLY A 7 3.991 1.551 5.231 1.00 1.25 C ATOM 100 C GLY A 7 4.054 2.971 4.655 1.00 1.13 C ATOM 101 O GLY A 7 3.121 3.427 3.993 1.00 1.19 O ATOM 0 H GLY A 7 5.395 0.041 5.492 1.00 1.14 H new ATOM 0 HA2 GLY A 7 3.035 1.101 4.962 1.00 1.25 H new ATOM 0 HA3 GLY A 7 4.021 1.608 6.319 1.00 1.25 H new ATOM 105 N GLU A 8 5.167 3.665 4.886 1.00 1.12 N ATOM 106 CA GLU A 8 5.382 5.039 4.432 1.00 1.19 C ATOM 107 C GLU A 8 5.535 5.052 2.912 1.00 0.92 C ATOM 108 O GLU A 8 4.968 5.895 2.213 1.00 0.96 O ATOM 109 CB GLU A 8 6.630 5.619 5.124 1.00 1.52 C ATOM 110 CG GLU A 8 6.338 6.592 6.280 1.00 3.04 C ATOM 111 CD GLU A 8 5.065 6.317 7.072 1.00 4.79 C ATOM 112 OE1 GLU A 8 4.880 5.175 7.539 1.00 5.52 O ATOM 113 OE2 GLU A 8 4.261 7.269 7.183 1.00 6.04 O ATOM 0 H GLU A 8 5.959 3.282 5.403 1.00 1.12 H new ATOM 0 HA GLU A 8 4.526 5.660 4.696 1.00 1.19 H new ATOM 0 HB2 GLU A 8 7.232 4.794 5.506 1.00 1.52 H new ATOM 0 HB3 GLU A 8 7.234 6.135 4.378 1.00 1.52 H new ATOM 0 HG2 GLU A 8 7.183 6.573 6.968 1.00 3.04 H new ATOM 0 HG3 GLU A 8 6.280 7.602 5.874 1.00 3.04 H new ATOM 120 N ARG A 9 6.307 4.091 2.409 1.00 0.89 N ATOM 121 CA ARG A 9 6.533 3.883 0.987 1.00 1.03 C ATOM 122 C ARG A 9 5.205 3.831 0.206 1.00 0.86 C ATOM 123 O ARG A 9 5.047 4.482 -0.827 1.00 1.06 O ATOM 124 CB ARG A 9 7.444 2.651 0.829 1.00 1.50 C ATOM 125 CG ARG A 9 8.565 2.719 -0.226 1.00 1.49 C ATOM 126 CD ARG A 9 9.659 1.715 0.192 1.00 1.77 C ATOM 127 NE ARG A 9 10.423 1.124 -0.906 1.00 2.26 N ATOM 128 CZ ARG A 9 11.578 1.595 -1.383 1.00 3.64 C ATOM 129 NH1 ARG A 9 11.861 2.894 -1.298 1.00 4.53 N ATOM 130 NH2 ARG A 9 12.454 0.734 -1.895 1.00 4.61 N ATOM 0 H ARG A 9 6.803 3.421 2.996 1.00 0.89 H new ATOM 0 HA ARG A 9 7.054 4.728 0.536 1.00 1.03 H new ATOM 0 HB2 ARG A 9 7.905 2.449 1.796 1.00 1.50 H new ATOM 0 HB3 ARG A 9 6.812 1.795 0.592 1.00 1.50 H new ATOM 0 HG2 ARG A 9 8.176 2.473 -1.214 1.00 1.49 H new ATOM 0 HG3 ARG A 9 8.974 3.728 -0.286 1.00 1.49 H new ATOM 0 HD2 ARG A 9 10.353 2.219 0.864 1.00 1.77 H new ATOM 0 HD3 ARG A 9 9.192 0.911 0.761 1.00 1.77 H new ATOM 0 HE ARG A 9 10.043 0.284 -1.343 1.00 2.26 H new ATOM 0 HH11 ARG A 9 11.194 3.534 -0.867 1.00 4.53 H new ATOM 0 HH12 ARG A 9 12.745 3.248 -1.664 1.00 4.53 H new ATOM 0 HH21 ARG A 9 12.237 -0.262 -1.917 1.00 4.61 H new ATOM 0 HH22 ARG A 9 13.343 1.070 -2.265 1.00 4.61 H new ATOM 144 N ILE A 10 4.228 3.102 0.746 1.00 0.68 N ATOM 145 CA ILE A 10 2.849 3.012 0.292 1.00 0.79 C ATOM 146 C ILE A 10 2.183 4.379 0.460 1.00 0.80 C ATOM 147 O ILE A 10 1.664 4.941 -0.506 1.00 0.92 O ATOM 148 CB ILE A 10 2.137 1.914 1.114 1.00 0.89 C ATOM 149 CG1 ILE A 10 2.693 0.526 0.753 1.00 0.98 C ATOM 150 CG2 ILE A 10 0.612 1.929 0.957 1.00 1.04 C ATOM 151 CD1 ILE A 10 2.438 -0.492 1.867 1.00 1.28 C ATOM 0 H ILE A 10 4.395 2.521 1.568 1.00 0.68 H new ATOM 0 HA ILE A 10 2.792 2.741 -0.762 1.00 0.79 H new ATOM 0 HB ILE A 10 2.345 2.133 2.161 1.00 0.89 H new ATOM 0 HG12 ILE A 10 2.231 0.178 -0.171 1.00 0.98 H new ATOM 0 HG13 ILE A 10 3.764 0.600 0.566 1.00 0.98 H new ATOM 0 HG21 ILE A 10 0.176 1.133 1.561 1.00 1.04 H new ATOM 0 HG22 ILE A 10 0.222 2.891 1.289 1.00 1.04 H new ATOM 0 HG23 ILE A 10 0.353 1.774 -0.090 1.00 1.04 H new ATOM 0 HD11 ILE A 10 2.845 -1.460 1.575 1.00 1.28 H new ATOM 0 HD12 ILE A 10 2.922 -0.156 2.784 1.00 1.28 H new ATOM 0 HD13 ILE A 10 1.365 -0.585 2.036 1.00 1.28 H new ATOM 163 N ARG A 11 2.185 4.905 1.691 1.00 0.82 N ATOM 164 CA ARG A 11 1.557 6.171 2.069 1.00 0.96 C ATOM 165 C ARG A 11 1.844 7.265 1.035 1.00 0.91 C ATOM 166 O ARG A 11 0.926 7.936 0.563 1.00 1.01 O ATOM 167 CB ARG A 11 2.035 6.561 3.479 1.00 1.10 C ATOM 168 CG ARG A 11 1.044 7.383 4.315 1.00 1.68 C ATOM 169 CD ARG A 11 1.581 7.490 5.757 1.00 1.91 C ATOM 170 NE ARG A 11 0.530 7.353 6.785 1.00 2.74 N ATOM 171 CZ ARG A 11 0.769 6.975 8.056 1.00 3.33 C ATOM 172 NH1 ARG A 11 2.015 6.787 8.488 1.00 3.24 N ATOM 173 NH2 ARG A 11 -0.234 6.707 8.901 1.00 4.65 N ATOM 0 H ARG A 11 2.641 4.442 2.477 1.00 0.82 H new ATOM 0 HA ARG A 11 0.474 6.052 2.089 1.00 0.96 H new ATOM 0 HB2 ARG A 11 2.275 5.649 4.026 1.00 1.10 H new ATOM 0 HB3 ARG A 11 2.961 7.129 3.385 1.00 1.10 H new ATOM 0 HG2 ARG A 11 0.919 8.376 3.884 1.00 1.68 H new ATOM 0 HG3 ARG A 11 0.063 6.909 4.312 1.00 1.68 H new ATOM 0 HD2 ARG A 11 2.335 6.719 5.914 1.00 1.91 H new ATOM 0 HD3 ARG A 11 2.078 8.452 5.882 1.00 1.91 H new ATOM 0 HE ARG A 11 -0.433 7.556 6.517 1.00 2.74 H new ATOM 0 HH11 ARG A 11 2.801 6.929 7.854 1.00 3.24 H new ATOM 0 HH12 ARG A 11 2.183 6.501 9.453 1.00 3.24 H new ATOM 0 HH21 ARG A 11 -1.201 6.787 8.587 1.00 4.65 H new ATOM 0 HH22 ARG A 11 -0.031 6.422 9.859 1.00 4.65 H new ATOM 187 N ALA A 12 3.110 7.421 0.637 1.00 0.82 N ATOM 188 CA ALA A 12 3.489 8.432 -0.342 1.00 0.89 C ATOM 189 C ALA A 12 2.792 8.241 -1.693 1.00 0.81 C ATOM 190 O ALA A 12 2.412 9.229 -2.329 1.00 0.87 O ATOM 191 CB ALA A 12 4.998 8.418 -0.537 1.00 0.92 C ATOM 0 H ALA A 12 3.887 6.857 0.981 1.00 0.82 H new ATOM 0 HA ALA A 12 3.167 9.396 0.052 1.00 0.89 H new ATOM 0 HB1 ALA A 12 5.277 9.175 -1.270 1.00 0.92 H new ATOM 0 HB2 ALA A 12 5.490 8.633 0.412 1.00 0.92 H new ATOM 0 HB3 ALA A 12 5.310 7.436 -0.893 1.00 0.92 H new ATOM 197 N ARG A 13 2.646 6.997 -2.154 1.00 0.74 N ATOM 198 CA ARG A 13 2.026 6.695 -3.439 1.00 0.72 C ATOM 199 C ARG A 13 0.504 6.804 -3.323 1.00 0.83 C ATOM 200 O ARG A 13 -0.165 7.253 -4.253 1.00 1.06 O ATOM 201 CB ARG A 13 2.472 5.318 -3.950 1.00 0.75 C ATOM 202 CG ARG A 13 3.994 5.182 -4.106 1.00 1.80 C ATOM 203 CD ARG A 13 4.588 5.996 -5.265 1.00 1.90 C ATOM 204 NE ARG A 13 4.284 5.396 -6.581 1.00 1.44 N ATOM 205 CZ ARG A 13 5.045 5.528 -7.688 1.00 2.14 C ATOM 206 NH1 ARG A 13 6.174 6.245 -7.661 1.00 3.14 N ATOM 207 NH2 ARG A 13 4.662 4.973 -8.847 1.00 2.91 N ATOM 0 H ARG A 13 2.956 6.171 -1.643 1.00 0.74 H new ATOM 0 HA ARG A 13 2.356 7.427 -4.177 1.00 0.72 H new ATOM 0 HB2 ARG A 13 2.116 4.552 -3.261 1.00 0.75 H new ATOM 0 HB3 ARG A 13 1.998 5.126 -4.913 1.00 0.75 H new ATOM 0 HG2 ARG A 13 4.472 5.494 -3.177 1.00 1.80 H new ATOM 0 HG3 ARG A 13 4.239 4.130 -4.253 1.00 1.80 H new ATOM 0 HD2 ARG A 13 4.196 7.012 -5.232 1.00 1.90 H new ATOM 0 HD3 ARG A 13 5.669 6.067 -5.141 1.00 1.90 H new ATOM 0 HE ARG A 13 3.433 4.839 -6.659 1.00 1.44 H new ATOM 0 HH11 ARG A 13 6.469 6.700 -6.797 1.00 3.14 H new ATOM 0 HH12 ARG A 13 6.740 6.337 -8.505 1.00 3.14 H new ATOM 0 HH21 ARG A 13 3.790 4.446 -8.897 1.00 2.91 H new ATOM 0 HH22 ARG A 13 5.243 5.077 -9.679 1.00 2.91 H new ATOM 221 N ARG A 14 -0.053 6.468 -2.158 1.00 0.74 N ATOM 222 CA ARG A 14 -1.439 6.799 -1.870 1.00 0.73 C ATOM 223 C ARG A 14 -1.641 8.310 -1.990 1.00 0.77 C ATOM 224 O ARG A 14 -2.619 8.756 -2.586 1.00 0.80 O ATOM 225 CB ARG A 14 -1.834 6.292 -0.483 1.00 0.75 C ATOM 226 CG ARG A 14 -3.362 6.280 -0.366 1.00 0.87 C ATOM 227 CD ARG A 14 -3.816 6.196 1.091 1.00 0.91 C ATOM 228 NE ARG A 14 -2.985 5.261 1.867 1.00 1.35 N ATOM 229 CZ ARG A 14 -2.453 5.500 3.076 1.00 2.02 C ATOM 230 NH1 ARG A 14 -2.691 6.639 3.728 1.00 2.95 N ATOM 231 NH2 ARG A 14 -1.684 4.587 3.667 1.00 2.93 N ATOM 0 H ARG A 14 0.432 5.973 -1.410 1.00 0.74 H new ATOM 0 HA ARG A 14 -2.086 6.306 -2.595 1.00 0.73 H new ATOM 0 HB2 ARG A 14 -1.437 5.289 -0.323 1.00 0.75 H new ATOM 0 HB3 ARG A 14 -1.404 6.932 0.287 1.00 0.75 H new ATOM 0 HG2 ARG A 14 -3.769 7.182 -0.823 1.00 0.87 H new ATOM 0 HG3 ARG A 14 -3.763 5.432 -0.922 1.00 0.87 H new ATOM 0 HD2 ARG A 14 -3.770 7.186 1.544 1.00 0.91 H new ATOM 0 HD3 ARG A 14 -4.857 5.876 1.130 1.00 0.91 H new ATOM 0 HE ARG A 14 -2.797 4.350 1.449 1.00 1.35 H new ATOM 0 HH11 ARG A 14 -3.289 7.351 3.309 1.00 2.95 H new ATOM 0 HH12 ARG A 14 -2.275 6.798 4.646 1.00 2.95 H new ATOM 0 HH21 ARG A 14 -1.496 3.699 3.201 1.00 2.93 H new ATOM 0 HH22 ARG A 14 -1.283 4.775 4.586 1.00 2.93 H new ATOM 245 N LYS A 15 -0.705 9.088 -1.438 1.00 0.83 N ATOM 246 CA LYS A 15 -0.707 10.541 -1.504 1.00 0.93 C ATOM 247 C LYS A 15 -0.485 11.044 -2.937 1.00 1.02 C ATOM 248 O LYS A 15 -1.069 12.058 -3.308 1.00 1.09 O ATOM 249 CB LYS A 15 0.314 11.092 -0.494 1.00 1.03 C ATOM 250 CG LYS A 15 0.365 12.626 -0.431 1.00 1.55 C ATOM 251 CD LYS A 15 1.755 13.222 -0.718 1.00 2.46 C ATOM 252 CE LYS A 15 2.234 13.084 -2.176 1.00 4.19 C ATOM 253 NZ LYS A 15 2.992 11.840 -2.442 1.00 5.43 N ATOM 0 H LYS A 15 0.090 8.710 -0.923 1.00 0.83 H new ATOM 0 HA LYS A 15 -1.689 10.921 -1.223 1.00 0.93 H new ATOM 0 HB2 LYS A 15 0.074 10.706 0.497 1.00 1.03 H new ATOM 0 HB3 LYS A 15 1.304 10.716 -0.752 1.00 1.03 H new ATOM 0 HG2 LYS A 15 -0.348 13.032 -1.149 1.00 1.55 H new ATOM 0 HG3 LYS A 15 0.040 12.949 0.558 1.00 1.55 H new ATOM 0 HD2 LYS A 15 1.742 14.280 -0.454 1.00 2.46 H new ATOM 0 HD3 LYS A 15 2.482 12.740 -0.065 1.00 2.46 H new ATOM 0 HE2 LYS A 15 1.368 13.119 -2.838 1.00 4.19 H new ATOM 0 HE3 LYS A 15 2.861 13.940 -2.425 1.00 4.19 H new ATOM 0 HZ1 LYS A 15 3.424 11.892 -3.386 1.00 5.43 H new ATOM 0 HZ2 LYS A 15 3.737 11.728 -1.726 1.00 5.43 H new ATOM 0 HZ3 LYS A 15 2.347 11.025 -2.401 1.00 5.43 H new ATOM 267 N LYS A 16 0.350 10.373 -3.746 1.00 1.09 N ATOM 268 CA LYS A 16 0.523 10.701 -5.166 1.00 1.22 C ATOM 269 C LYS A 16 -0.857 10.810 -5.823 1.00 0.98 C ATOM 270 O LYS A 16 -1.182 11.817 -6.449 1.00 0.97 O ATOM 271 CB LYS A 16 1.397 9.633 -5.864 1.00 1.57 C ATOM 272 CG LYS A 16 1.572 9.814 -7.385 1.00 2.26 C ATOM 273 CD LYS A 16 2.128 8.546 -8.071 1.00 3.58 C ATOM 274 CE LYS A 16 1.082 7.413 -8.147 1.00 5.42 C ATOM 275 NZ LYS A 16 1.549 6.205 -8.858 1.00 6.81 N ATOM 0 H LYS A 16 0.923 9.589 -3.433 1.00 1.09 H new ATOM 0 HA LYS A 16 1.037 11.657 -5.265 1.00 1.22 H new ATOM 0 HB2 LYS A 16 2.383 9.634 -5.399 1.00 1.57 H new ATOM 0 HB3 LYS A 16 0.959 8.652 -5.680 1.00 1.57 H new ATOM 0 HG2 LYS A 16 0.611 10.072 -7.830 1.00 2.26 H new ATOM 0 HG3 LYS A 16 2.245 10.650 -7.573 1.00 2.26 H new ATOM 0 HD2 LYS A 16 2.462 8.797 -9.078 1.00 3.58 H new ATOM 0 HD3 LYS A 16 3.003 8.194 -7.524 1.00 3.58 H new ATOM 0 HE2 LYS A 16 0.790 7.135 -7.134 1.00 5.42 H new ATOM 0 HE3 LYS A 16 0.189 7.791 -8.644 1.00 5.42 H new ATOM 0 HZ1 LYS A 16 1.359 5.364 -8.276 1.00 6.81 H new ATOM 0 HZ2 LYS A 16 1.046 6.120 -9.764 1.00 6.81 H new ATOM 0 HZ3 LYS A 16 2.571 6.280 -9.035 1.00 6.81 H new ATOM 289 N LEU A 17 -1.664 9.759 -5.682 1.00 0.90 N ATOM 290 CA LEU A 17 -2.982 9.698 -6.304 1.00 0.84 C ATOM 291 C LEU A 17 -3.999 10.515 -5.503 1.00 0.72 C ATOM 292 O LEU A 17 -4.887 11.136 -6.087 1.00 0.89 O ATOM 293 CB LEU A 17 -3.390 8.230 -6.481 1.00 1.00 C ATOM 294 CG LEU A 17 -2.460 7.545 -7.497 1.00 1.24 C ATOM 295 CD1 LEU A 17 -2.381 6.033 -7.284 1.00 1.18 C ATOM 296 CD2 LEU A 17 -2.881 7.838 -8.942 1.00 1.55 C ATOM 0 H LEU A 17 -1.423 8.932 -5.136 1.00 0.90 H new ATOM 0 HA LEU A 17 -2.950 10.151 -7.295 1.00 0.84 H new ATOM 0 HB2 LEU A 17 -3.340 7.712 -5.523 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -4.423 8.170 -6.823 1.00 1.00 H new ATOM 0 HG LEU A 17 -1.470 7.967 -7.326 1.00 1.24 H new ATOM 0 HD11 LEU A 17 -1.713 5.596 -8.026 1.00 1.18 H new ATOM 0 HD12 LEU A 17 -1.999 5.826 -6.284 1.00 1.18 H new ATOM 0 HD13 LEU A 17 -3.375 5.598 -7.390 1.00 1.18 H new ATOM 0 HD21 LEU A 17 -2.199 7.336 -9.629 1.00 1.55 H new ATOM 0 HD22 LEU A 17 -3.895 7.473 -9.107 1.00 1.55 H new ATOM 0 HD23 LEU A 17 -2.849 8.913 -9.120 1.00 1.55 H new ATOM 308 N LYS A 18 -3.826 10.562 -4.179 1.00 0.71 N ATOM 309 CA LYS A 18 -4.670 11.212 -3.181 1.00 0.69 C ATOM 310 C LYS A 18 -5.883 10.325 -2.886 1.00 0.66 C ATOM 311 O LYS A 18 -7.021 10.790 -2.886 1.00 0.73 O ATOM 312 CB LYS A 18 -5.051 12.652 -3.571 1.00 0.80 C ATOM 313 CG LYS A 18 -3.822 13.506 -3.927 1.00 0.97 C ATOM 314 CD LYS A 18 -4.201 14.828 -4.610 1.00 1.39 C ATOM 315 CE LYS A 18 -4.238 14.716 -6.145 1.00 1.99 C ATOM 316 NZ LYS A 18 -5.241 13.749 -6.636 1.00 3.24 N ATOM 0 H LYS A 18 -3.023 10.107 -3.745 1.00 0.71 H new ATOM 0 HA LYS A 18 -4.099 11.323 -2.259 1.00 0.69 H new ATOM 0 HB2 LYS A 18 -5.732 12.627 -4.422 1.00 0.80 H new ATOM 0 HB3 LYS A 18 -5.588 13.119 -2.746 1.00 0.80 H new ATOM 0 HG2 LYS A 18 -3.257 13.719 -3.020 1.00 0.97 H new ATOM 0 HG3 LYS A 18 -3.166 12.936 -4.585 1.00 0.97 H new ATOM 0 HD2 LYS A 18 -5.178 15.151 -4.250 1.00 1.39 H new ATOM 0 HD3 LYS A 18 -3.485 15.598 -4.323 1.00 1.39 H new ATOM 0 HE2 LYS A 18 -4.451 15.697 -6.569 1.00 1.99 H new ATOM 0 HE3 LYS A 18 -3.252 14.421 -6.505 1.00 1.99 H new ATOM 0 HZ1 LYS A 18 -5.373 13.876 -7.660 1.00 3.24 H new ATOM 0 HZ2 LYS A 18 -4.912 12.781 -6.447 1.00 3.24 H new ATOM 0 HZ3 LYS A 18 -6.145 13.909 -6.148 1.00 3.24 H new ATOM 330 N ILE A 19 -5.633 9.035 -2.646 1.00 0.66 N ATOM 331 CA ILE A 19 -6.687 8.045 -2.430 1.00 0.70 C ATOM 332 C ILE A 19 -6.993 7.943 -0.931 1.00 0.70 C ATOM 333 O ILE A 19 -6.086 7.796 -0.116 1.00 0.78 O ATOM 334 CB ILE A 19 -6.273 6.695 -3.052 1.00 0.74 C ATOM 335 CG1 ILE A 19 -6.187 6.846 -4.582 1.00 0.80 C ATOM 336 CG2 ILE A 19 -7.278 5.586 -2.702 1.00 0.87 C ATOM 337 CD1 ILE A 19 -5.493 5.665 -5.266 1.00 0.87 C ATOM 0 H ILE A 19 -4.690 8.648 -2.596 1.00 0.66 H new ATOM 0 HA ILE A 19 -7.607 8.353 -2.927 1.00 0.70 H new ATOM 0 HB ILE A 19 -5.302 6.413 -2.645 1.00 0.74 H new ATOM 0 HG12 ILE A 19 -7.193 6.952 -4.987 1.00 0.80 H new ATOM 0 HG13 ILE A 19 -5.649 7.763 -4.821 1.00 0.80 H new ATOM 0 HG21 ILE A 19 -6.957 4.648 -3.155 1.00 0.87 H new ATOM 0 HG22 ILE A 19 -7.327 5.468 -1.620 1.00 0.87 H new ATOM 0 HG23 ILE A 19 -8.263 5.855 -3.083 1.00 0.87 H new ATOM 0 HD11 ILE A 19 -5.465 5.833 -6.343 1.00 0.87 H new ATOM 0 HD12 ILE A 19 -4.475 5.572 -4.887 1.00 0.87 H new ATOM 0 HD13 ILE A 19 -6.044 4.748 -5.056 1.00 0.87 H new ATOM 349 N ARG A 20 -8.274 8.000 -0.554 1.00 0.76 N ATOM 350 CA ARG A 20 -8.684 7.785 0.828 1.00 0.80 C ATOM 351 C ARG A 20 -8.454 6.330 1.241 1.00 0.75 C ATOM 352 O ARG A 20 -8.807 5.415 0.502 1.00 0.79 O ATOM 353 CB ARG A 20 -10.139 8.226 1.058 1.00 0.94 C ATOM 354 CG ARG A 20 -11.203 7.583 0.156 1.00 2.12 C ATOM 355 CD ARG A 20 -12.465 8.455 0.088 1.00 2.38 C ATOM 356 NE ARG A 20 -13.023 8.733 1.424 1.00 3.63 N ATOM 357 CZ ARG A 20 -13.993 9.629 1.682 1.00 4.52 C ATOM 358 NH1 ARG A 20 -14.560 10.307 0.678 1.00 4.32 N ATOM 359 NH2 ARG A 20 -14.391 9.842 2.941 1.00 6.18 N ATOM 0 H ARG A 20 -9.045 8.194 -1.193 1.00 0.76 H new ATOM 0 HA ARG A 20 -8.061 8.410 1.468 1.00 0.80 H new ATOM 0 HB2 ARG A 20 -10.399 8.015 2.095 1.00 0.94 H new ATOM 0 HB3 ARG A 20 -10.192 9.307 0.930 1.00 0.94 H new ATOM 0 HG2 ARG A 20 -10.799 7.443 -0.847 1.00 2.12 H new ATOM 0 HG3 ARG A 20 -11.459 6.595 0.537 1.00 2.12 H new ATOM 0 HD2 ARG A 20 -12.228 9.396 -0.408 1.00 2.38 H new ATOM 0 HD3 ARG A 20 -13.218 7.955 -0.521 1.00 2.38 H new ATOM 0 HE ARG A 20 -12.645 8.207 2.212 1.00 3.63 H new ATOM 0 HH11 ARG A 20 -14.257 10.145 -0.282 1.00 4.32 H new ATOM 0 HH12 ARG A 20 -15.295 10.986 0.873 1.00 4.32 H new ATOM 0 HH21 ARG A 20 -13.959 9.325 3.707 1.00 6.18 H new ATOM 0 HH22 ARG A 20 -15.126 10.522 3.135 1.00 6.18 H new ATOM 373 N GLN A 21 -7.898 6.112 2.437 1.00 0.73 N ATOM 374 CA GLN A 21 -7.587 4.787 2.974 1.00 0.73 C ATOM 375 C GLN A 21 -8.789 3.844 2.902 1.00 0.71 C ATOM 376 O GLN A 21 -8.644 2.674 2.555 1.00 0.83 O ATOM 377 CB GLN A 21 -7.060 4.936 4.409 1.00 0.82 C ATOM 378 CG GLN A 21 -5.647 5.522 4.336 1.00 1.16 C ATOM 379 CD GLN A 21 -5.073 5.995 5.667 1.00 1.30 C ATOM 380 OE1 GLN A 21 -4.801 7.181 5.816 1.00 2.70 O ATOM 381 NE2 GLN A 21 -4.803 5.083 6.593 1.00 0.93 N ATOM 0 H GLN A 21 -7.647 6.870 3.071 1.00 0.73 H new ATOM 0 HA GLN A 21 -6.812 4.330 2.359 1.00 0.73 H new ATOM 0 HB2 GLN A 21 -7.713 5.588 4.989 1.00 0.82 H new ATOM 0 HB3 GLN A 21 -7.046 3.969 4.912 1.00 0.82 H new ATOM 0 HG2 GLN A 21 -4.979 4.769 3.917 1.00 1.16 H new ATOM 0 HG3 GLN A 21 -5.654 6.363 3.642 1.00 1.16 H new ATOM 0 HE21 GLN A 21 -5.045 4.105 6.432 1.00 0.93 H new ATOM 0 HE22 GLN A 21 -4.354 5.360 7.466 1.00 0.93 H new ATOM 390 N ALA A 22 -9.981 4.369 3.192 1.00 0.72 N ATOM 391 CA ALA A 22 -11.230 3.632 3.064 1.00 0.89 C ATOM 392 C ALA A 22 -11.400 3.071 1.650 1.00 0.82 C ATOM 393 O ALA A 22 -11.808 1.923 1.479 1.00 1.03 O ATOM 394 CB ALA A 22 -12.403 4.542 3.438 1.00 1.06 C ATOM 0 H ALA A 22 -10.103 5.326 3.525 1.00 0.72 H new ATOM 0 HA ALA A 22 -11.208 2.783 3.748 1.00 0.89 H new ATOM 0 HB1 ALA A 22 -13.337 3.989 3.342 1.00 1.06 H new ATOM 0 HB2 ALA A 22 -12.286 4.881 4.467 1.00 1.06 H new ATOM 0 HB3 ALA A 22 -12.421 5.404 2.772 1.00 1.06 H new ATOM 400 N ALA A 23 -11.087 3.879 0.632 1.00 0.64 N ATOM 401 CA ALA A 23 -11.152 3.419 -0.749 1.00 0.62 C ATOM 402 C ALA A 23 -10.009 2.443 -1.027 1.00 0.62 C ATOM 403 O ALA A 23 -10.238 1.365 -1.575 1.00 0.69 O ATOM 404 CB ALA A 23 -11.129 4.600 -1.723 1.00 0.64 C ATOM 0 H ALA A 23 -10.788 4.848 0.742 1.00 0.64 H new ATOM 0 HA ALA A 23 -12.096 2.895 -0.901 1.00 0.62 H new ATOM 0 HB1 ALA A 23 -11.179 4.228 -2.747 1.00 0.64 H new ATOM 0 HB2 ALA A 23 -11.984 5.247 -1.530 1.00 0.64 H new ATOM 0 HB3 ALA A 23 -10.208 5.166 -1.587 1.00 0.64 H new ATOM 410 N LEU A 24 -8.784 2.818 -0.639 1.00 0.58 N ATOM 411 CA LEU A 24 -7.606 2.003 -0.897 1.00 0.55 C ATOM 412 C LEU A 24 -7.814 0.581 -0.383 1.00 0.47 C ATOM 413 O LEU A 24 -7.542 -0.374 -1.104 1.00 0.45 O ATOM 414 CB LEU A 24 -6.337 2.626 -0.292 1.00 0.57 C ATOM 415 CG LEU A 24 -5.064 1.840 -0.669 1.00 0.65 C ATOM 416 CD1 LEU A 24 -4.773 1.916 -2.172 1.00 0.79 C ATOM 417 CD2 LEU A 24 -3.845 2.379 0.084 1.00 1.26 C ATOM 0 H LEU A 24 -8.589 3.688 -0.143 1.00 0.58 H new ATOM 0 HA LEU A 24 -7.463 1.963 -1.977 1.00 0.55 H new ATOM 0 HB2 LEU A 24 -6.241 3.656 -0.636 1.00 0.57 H new ATOM 0 HB3 LEU A 24 -6.433 2.660 0.793 1.00 0.57 H new ATOM 0 HG LEU A 24 -5.247 0.802 -0.391 1.00 0.65 H new ATOM 0 HD11 LEU A 24 -3.869 1.350 -2.397 1.00 0.79 H new ATOM 0 HD12 LEU A 24 -5.612 1.495 -2.727 1.00 0.79 H new ATOM 0 HD13 LEU A 24 -4.631 2.957 -2.463 1.00 0.79 H new ATOM 0 HD21 LEU A 24 -2.961 1.808 -0.199 1.00 1.26 H new ATOM 0 HD22 LEU A 24 -3.696 3.429 -0.169 1.00 1.26 H new ATOM 0 HD23 LEU A 24 -4.009 2.284 1.157 1.00 1.26 H new ATOM 429 N GLY A 25 -8.310 0.433 0.848 1.00 0.45 N ATOM 430 CA GLY A 25 -8.567 -0.873 1.429 1.00 0.39 C ATOM 431 C GLY A 25 -9.363 -1.742 0.463 1.00 0.40 C ATOM 432 O GLY A 25 -8.876 -2.782 0.020 1.00 0.36 O ATOM 0 H GLY A 25 -8.541 1.215 1.461 1.00 0.45 H new ATOM 0 HA2 GLY A 25 -7.623 -1.361 1.672 1.00 0.39 H new ATOM 0 HA3 GLY A 25 -9.117 -0.760 2.363 1.00 0.39 H new ATOM 436 N LYS A 26 -10.566 -1.300 0.090 1.00 0.53 N ATOM 437 CA LYS A 26 -11.402 -2.102 -0.789 1.00 0.64 C ATOM 438 C LYS A 26 -10.770 -2.296 -2.172 1.00 0.59 C ATOM 439 O LYS A 26 -10.899 -3.376 -2.741 1.00 0.62 O ATOM 440 CB LYS A 26 -12.844 -1.577 -0.843 1.00 0.92 C ATOM 441 CG LYS A 26 -12.985 -0.132 -1.338 1.00 1.59 C ATOM 442 CD LYS A 26 -14.446 0.226 -1.649 1.00 1.94 C ATOM 443 CE LYS A 26 -15.348 0.135 -0.408 1.00 3.09 C ATOM 444 NZ LYS A 26 -16.744 0.518 -0.706 1.00 4.36 N ATOM 0 H LYS A 26 -10.972 -0.410 0.378 1.00 0.53 H new ATOM 0 HA LYS A 26 -11.465 -3.100 -0.356 1.00 0.64 H new ATOM 0 HB2 LYS A 26 -13.428 -2.228 -1.494 1.00 0.92 H new ATOM 0 HB3 LYS A 26 -13.279 -1.649 0.154 1.00 0.92 H new ATOM 0 HG2 LYS A 26 -12.597 0.550 -0.582 1.00 1.59 H new ATOM 0 HG3 LYS A 26 -12.379 0.006 -2.233 1.00 1.59 H new ATOM 0 HD2 LYS A 26 -14.491 1.237 -2.054 1.00 1.94 H new ATOM 0 HD3 LYS A 26 -14.825 -0.444 -2.420 1.00 1.94 H new ATOM 0 HE2 LYS A 26 -15.327 -0.883 -0.019 1.00 3.09 H new ATOM 0 HE3 LYS A 26 -14.954 0.783 0.374 1.00 3.09 H new ATOM 0 HZ1 LYS A 26 -17.317 0.442 0.159 1.00 4.36 H new ATOM 0 HZ2 LYS A 26 -16.769 1.498 -1.053 1.00 4.36 H new ATOM 0 HZ3 LYS A 26 -17.130 -0.116 -1.434 1.00 4.36 H new ATOM 458 N MET A 27 -10.100 -1.277 -2.728 1.00 0.60 N ATOM 459 CA MET A 27 -9.552 -1.394 -4.075 1.00 0.68 C ATOM 460 C MET A 27 -8.371 -2.375 -4.113 1.00 0.57 C ATOM 461 O MET A 27 -8.207 -3.101 -5.090 1.00 0.68 O ATOM 462 CB MET A 27 -9.249 -0.008 -4.673 1.00 0.98 C ATOM 463 CG MET A 27 -7.806 0.453 -4.479 1.00 1.17 C ATOM 464 SD MET A 27 -7.467 2.179 -4.911 1.00 1.20 S ATOM 465 CE MET A 27 -7.753 2.168 -6.694 1.00 1.54 C ATOM 0 H MET A 27 -9.930 -0.381 -2.272 1.00 0.60 H new ATOM 0 HA MET A 27 -10.307 -1.831 -4.728 1.00 0.68 H new ATOM 0 HB2 MET A 27 -9.473 -0.028 -5.740 1.00 0.98 H new ATOM 0 HB3 MET A 27 -9.917 0.725 -4.221 1.00 0.98 H new ATOM 0 HG2 MET A 27 -7.532 0.299 -3.435 1.00 1.17 H new ATOM 0 HG3 MET A 27 -7.156 -0.186 -5.077 1.00 1.17 H new ATOM 0 HE1 MET A 27 -7.581 3.166 -7.096 1.00 1.54 H new ATOM 0 HE2 MET A 27 -7.070 1.463 -7.168 1.00 1.54 H new ATOM 0 HE3 MET A 27 -8.781 1.868 -6.896 1.00 1.54 H new ATOM 475 N VAL A 28 -7.544 -2.399 -3.060 1.00 0.48 N ATOM 476 CA VAL A 28 -6.483 -3.390 -2.913 1.00 0.48 C ATOM 477 C VAL A 28 -7.112 -4.761 -2.656 1.00 0.45 C ATOM 478 O VAL A 28 -6.725 -5.750 -3.271 1.00 0.58 O ATOM 479 CB VAL A 28 -5.526 -3.000 -1.769 1.00 0.47 C ATOM 480 CG1 VAL A 28 -4.449 -4.071 -1.561 1.00 0.52 C ATOM 481 CG2 VAL A 28 -4.769 -1.704 -2.072 1.00 0.53 C ATOM 0 H VAL A 28 -7.595 -1.732 -2.290 1.00 0.48 H new ATOM 0 HA VAL A 28 -5.896 -3.431 -3.831 1.00 0.48 H new ATOM 0 HB VAL A 28 -6.157 -2.885 -0.888 1.00 0.47 H new ATOM 0 HG11 VAL A 28 -3.788 -3.770 -0.748 1.00 0.52 H new ATOM 0 HG12 VAL A 28 -4.923 -5.020 -1.310 1.00 0.52 H new ATOM 0 HG13 VAL A 28 -3.869 -4.186 -2.477 1.00 0.52 H new ATOM 0 HG21 VAL A 28 -4.106 -1.467 -1.240 1.00 0.53 H new ATOM 0 HG22 VAL A 28 -4.180 -1.831 -2.980 1.00 0.53 H new ATOM 0 HG23 VAL A 28 -5.481 -0.891 -2.212 1.00 0.53 H new ATOM 491 N GLY A 29 -8.056 -4.808 -1.713 1.00 0.42 N ATOM 492 CA GLY A 29 -8.681 -6.024 -1.218 1.00 0.48 C ATOM 493 C GLY A 29 -8.210 -6.328 0.204 1.00 0.44 C ATOM 494 O GLY A 29 -7.880 -7.468 0.519 1.00 0.53 O ATOM 0 H GLY A 29 -8.415 -3.967 -1.261 1.00 0.42 H new ATOM 0 HA2 GLY A 29 -9.765 -5.914 -1.232 1.00 0.48 H new ATOM 0 HA3 GLY A 29 -8.436 -6.859 -1.875 1.00 0.48 H new ATOM 498 N VAL A 30 -8.202 -5.311 1.072 1.00 0.35 N ATOM 499 CA VAL A 30 -7.968 -5.443 2.503 1.00 0.34 C ATOM 500 C VAL A 30 -8.936 -4.509 3.240 1.00 0.37 C ATOM 501 O VAL A 30 -9.676 -3.753 2.612 1.00 0.39 O ATOM 502 CB VAL A 30 -6.507 -5.123 2.870 1.00 0.33 C ATOM 503 CG1 VAL A 30 -5.460 -5.975 2.158 1.00 0.40 C ATOM 504 CG2 VAL A 30 -6.132 -3.660 2.625 1.00 0.32 C ATOM 0 H VAL A 30 -8.364 -4.346 0.783 1.00 0.35 H new ATOM 0 HA VAL A 30 -8.146 -6.475 2.803 1.00 0.34 H new ATOM 0 HB VAL A 30 -6.485 -5.357 3.934 1.00 0.33 H new ATOM 0 HG11 VAL A 30 -4.464 -5.674 2.483 1.00 0.40 H new ATOM 0 HG12 VAL A 30 -5.619 -7.026 2.401 1.00 0.40 H new ATOM 0 HG13 VAL A 30 -5.548 -5.835 1.081 1.00 0.40 H new ATOM 0 HG21 VAL A 30 -5.090 -3.500 2.903 1.00 0.32 H new ATOM 0 HG22 VAL A 30 -6.266 -3.422 1.570 1.00 0.32 H new ATOM 0 HG23 VAL A 30 -6.772 -3.015 3.227 1.00 0.32 H new ATOM 514 N SER A 31 -8.922 -4.520 4.574 1.00 0.47 N ATOM 515 CA SER A 31 -9.703 -3.585 5.363 1.00 0.47 C ATOM 516 C SER A 31 -8.988 -2.231 5.434 1.00 0.46 C ATOM 517 O SER A 31 -7.762 -2.150 5.349 1.00 0.53 O ATOM 518 CB SER A 31 -9.913 -4.184 6.758 1.00 0.53 C ATOM 519 OG SER A 31 -8.657 -4.470 7.344 1.00 0.62 O ATOM 0 H SER A 31 -8.371 -5.175 5.128 1.00 0.47 H new ATOM 0 HA SER A 31 -10.675 -3.415 4.900 1.00 0.47 H new ATOM 0 HB2 SER A 31 -10.468 -3.486 7.385 1.00 0.53 H new ATOM 0 HB3 SER A 31 -10.509 -5.094 6.689 1.00 0.53 H new ATOM 0 HG SER A 31 -8.792 -4.851 8.237 1.00 0.62 H new ATOM 525 N ASN A 32 -9.748 -1.154 5.662 1.00 0.47 N ATOM 526 CA ASN A 32 -9.155 0.141 5.987 1.00 0.52 C ATOM 527 C ASN A 32 -8.228 0.007 7.202 1.00 0.53 C ATOM 528 O ASN A 32 -7.187 0.657 7.269 1.00 0.57 O ATOM 529 CB ASN A 32 -10.234 1.211 6.211 1.00 0.62 C ATOM 530 CG ASN A 32 -10.899 1.100 7.581 1.00 1.51 C ATOM 531 OD1 ASN A 32 -10.404 1.643 8.560 1.00 2.47 O ATOM 532 ND2 ASN A 32 -12.016 0.384 7.670 1.00 2.77 N ATOM 0 H ASN A 32 -10.767 -1.156 5.627 1.00 0.47 H new ATOM 0 HA ASN A 32 -8.556 0.470 5.138 1.00 0.52 H new ATOM 0 HB2 ASN A 32 -9.786 2.200 6.108 1.00 0.62 H new ATOM 0 HB3 ASN A 32 -10.994 1.123 5.435 1.00 0.62 H new ATOM 0 HD21 ASN A 32 -12.482 0.276 8.571 1.00 2.77 H new ATOM 0 HD22 ASN A 32 -12.406 -0.058 6.838 1.00 2.77 H new ATOM 539 N VAL A 33 -8.590 -0.872 8.143 1.00 0.56 N ATOM 540 CA VAL A 33 -7.753 -1.220 9.277 1.00 0.60 C ATOM 541 C VAL A 33 -6.422 -1.794 8.790 1.00 0.52 C ATOM 542 O VAL A 33 -5.371 -1.328 9.217 1.00 0.55 O ATOM 543 CB VAL A 33 -8.502 -2.195 10.202 1.00 0.70 C ATOM 544 CG1 VAL A 33 -7.570 -2.771 11.277 1.00 0.78 C ATOM 545 CG2 VAL A 33 -9.686 -1.486 10.873 1.00 0.82 C ATOM 0 H VAL A 33 -9.484 -1.363 8.131 1.00 0.56 H new ATOM 0 HA VAL A 33 -7.529 -0.325 9.857 1.00 0.60 H new ATOM 0 HB VAL A 33 -8.870 -3.018 9.589 1.00 0.70 H new ATOM 0 HG11 VAL A 33 -8.129 -3.456 11.914 1.00 0.78 H new ATOM 0 HG12 VAL A 33 -6.751 -3.308 10.799 1.00 0.78 H new ATOM 0 HG13 VAL A 33 -7.167 -1.959 11.883 1.00 0.78 H new ATOM 0 HG21 VAL A 33 -10.208 -2.187 11.525 1.00 0.82 H new ATOM 0 HG22 VAL A 33 -9.320 -0.645 11.463 1.00 0.82 H new ATOM 0 HG23 VAL A 33 -10.372 -1.122 10.109 1.00 0.82 H new ATOM 555 N ALA A 34 -6.442 -2.788 7.901 1.00 0.45 N ATOM 556 CA ALA A 34 -5.211 -3.363 7.377 1.00 0.40 C ATOM 557 C ALA A 34 -4.333 -2.278 6.752 1.00 0.37 C ATOM 558 O ALA A 34 -3.154 -2.188 7.084 1.00 0.41 O ATOM 559 CB ALA A 34 -5.526 -4.463 6.370 1.00 0.39 C ATOM 0 H ALA A 34 -7.295 -3.208 7.532 1.00 0.45 H new ATOM 0 HA ALA A 34 -4.655 -3.808 8.202 1.00 0.40 H new ATOM 0 HB1 ALA A 34 -4.596 -4.883 5.987 1.00 0.39 H new ATOM 0 HB2 ALA A 34 -6.105 -5.247 6.857 1.00 0.39 H new ATOM 0 HB3 ALA A 34 -6.103 -4.046 5.544 1.00 0.39 H new ATOM 565 N ILE A 35 -4.904 -1.421 5.892 1.00 0.36 N ATOM 566 CA ILE A 35 -4.172 -0.249 5.401 1.00 0.43 C ATOM 567 C ILE A 35 -3.577 0.537 6.580 1.00 0.52 C ATOM 568 O ILE A 35 -2.383 0.826 6.594 1.00 0.57 O ATOM 569 CB ILE A 35 -5.043 0.677 4.525 1.00 0.46 C ATOM 570 CG1 ILE A 35 -5.718 -0.011 3.328 1.00 0.42 C ATOM 571 CG2 ILE A 35 -4.204 1.858 4.016 1.00 0.53 C ATOM 572 CD1 ILE A 35 -4.741 -0.634 2.327 1.00 0.42 C ATOM 0 H ILE A 35 -5.853 -1.516 5.529 1.00 0.36 H new ATOM 0 HA ILE A 35 -3.368 -0.620 4.765 1.00 0.43 H new ATOM 0 HB ILE A 35 -5.850 1.011 5.177 1.00 0.46 H new ATOM 0 HG12 ILE A 35 -6.385 -0.789 3.700 1.00 0.42 H new ATOM 0 HG13 ILE A 35 -6.338 0.718 2.807 1.00 0.42 H new ATOM 0 HG21 ILE A 35 -4.826 2.507 3.399 1.00 0.53 H new ATOM 0 HG22 ILE A 35 -3.820 2.424 4.865 1.00 0.53 H new ATOM 0 HG23 ILE A 35 -3.370 1.483 3.423 1.00 0.53 H new ATOM 0 HD11 ILE A 35 -5.300 -1.098 1.514 1.00 0.42 H new ATOM 0 HD12 ILE A 35 -4.090 0.141 1.923 1.00 0.42 H new ATOM 0 HD13 ILE A 35 -4.137 -1.389 2.830 1.00 0.42 H new ATOM 584 N SER A 36 -4.411 0.897 7.559 1.00 0.57 N ATOM 585 CA SER A 36 -4.009 1.666 8.730 1.00 0.73 C ATOM 586 C SER A 36 -2.822 1.023 9.454 1.00 0.74 C ATOM 587 O SER A 36 -1.932 1.734 9.916 1.00 0.96 O ATOM 588 CB SER A 36 -5.200 1.836 9.684 1.00 0.86 C ATOM 589 OG SER A 36 -4.870 2.740 10.724 1.00 1.19 O ATOM 0 H SER A 36 -5.402 0.656 7.556 1.00 0.57 H new ATOM 0 HA SER A 36 -3.684 2.649 8.389 1.00 0.73 H new ATOM 0 HB2 SER A 36 -6.066 2.204 9.134 1.00 0.86 H new ATOM 0 HB3 SER A 36 -5.477 0.870 10.106 1.00 0.86 H new ATOM 0 HG SER A 36 -5.555 2.698 11.424 1.00 1.19 H new ATOM 595 N GLN A 37 -2.830 -0.305 9.602 1.00 0.61 N ATOM 596 CA GLN A 37 -1.722 -1.038 10.195 1.00 0.63 C ATOM 597 C GLN A 37 -0.494 -0.914 9.296 1.00 0.65 C ATOM 598 O GLN A 37 0.586 -0.567 9.769 1.00 0.80 O ATOM 599 CB GLN A 37 -2.075 -2.517 10.378 1.00 0.64 C ATOM 600 CG GLN A 37 -3.192 -2.770 11.395 1.00 0.74 C ATOM 601 CD GLN A 37 -3.657 -4.226 11.419 1.00 1.40 C ATOM 602 OE1 GLN A 37 -4.759 -4.511 11.874 1.00 2.18 O ATOM 603 NE2 GLN A 37 -2.857 -5.170 10.926 1.00 2.36 N ATOM 0 H GLN A 37 -3.608 -0.897 9.312 1.00 0.61 H new ATOM 0 HA GLN A 37 -1.512 -0.612 11.176 1.00 0.63 H new ATOM 0 HB2 GLN A 37 -2.374 -2.930 9.415 1.00 0.64 H new ATOM 0 HB3 GLN A 37 -1.182 -3.057 10.693 1.00 0.64 H new ATOM 0 HG2 GLN A 37 -2.842 -2.489 12.388 1.00 0.74 H new ATOM 0 HG3 GLN A 37 -4.041 -2.127 11.162 1.00 0.74 H new ATOM 0 HE21 GLN A 37 -1.943 -4.919 10.551 1.00 2.36 H new ATOM 0 HE22 GLN A 37 -3.159 -6.144 10.924 1.00 2.36 H new ATOM 612 N TRP A 38 -0.663 -1.191 7.998 1.00 0.56 N ATOM 613 CA TRP A 38 0.398 -1.071 7.011 1.00 0.60 C ATOM 614 C TRP A 38 1.110 0.270 7.150 1.00 0.64 C ATOM 615 O TRP A 38 2.310 0.294 7.411 1.00 0.75 O ATOM 616 CB TRP A 38 -0.122 -1.360 5.596 1.00 0.59 C ATOM 617 CG TRP A 38 -0.521 -2.773 5.312 1.00 0.56 C ATOM 618 CD1 TRP A 38 -0.265 -3.877 6.051 1.00 0.60 C ATOM 619 CD2 TRP A 38 -1.195 -3.245 4.120 1.00 0.52 C ATOM 620 NE1 TRP A 38 -0.679 -4.999 5.361 1.00 0.57 N ATOM 621 CE2 TRP A 38 -1.241 -4.664 4.147 1.00 0.52 C ATOM 622 CE3 TRP A 38 -1.738 -2.598 2.999 1.00 0.51 C ATOM 623 CZ2 TRP A 38 -1.764 -5.407 3.081 1.00 0.52 C ATOM 624 CZ3 TRP A 38 -2.261 -3.325 1.919 1.00 0.50 C ATOM 625 CH2 TRP A 38 -2.264 -4.730 1.952 1.00 0.51 C ATOM 0 H TRP A 38 -1.551 -1.507 7.607 1.00 0.56 H new ATOM 0 HA TRP A 38 1.152 -1.834 7.201 1.00 0.60 H new ATOM 0 HB2 TRP A 38 -0.983 -0.718 5.410 1.00 0.59 H new ATOM 0 HB3 TRP A 38 0.650 -1.073 4.882 1.00 0.59 H new ATOM 0 HD1 TRP A 38 0.192 -3.880 7.029 1.00 0.60 H new ATOM 0 HE1 TRP A 38 -0.582 -5.954 5.705 1.00 0.57 H new ATOM 0 HE3 TRP A 38 -1.754 -1.519 2.967 1.00 0.51 H new ATOM 0 HZ2 TRP A 38 -1.784 -6.486 3.124 1.00 0.52 H new ATOM 0 HZ3 TRP A 38 -2.662 -2.805 1.062 1.00 0.50 H new ATOM 0 HH2 TRP A 38 -2.649 -5.290 1.113 1.00 0.51 H new ATOM 636 N GLU A 39 0.385 1.388 7.090 1.00 0.64 N ATOM 637 CA GLU A 39 1.005 2.701 7.240 1.00 0.79 C ATOM 638 C GLU A 39 1.388 3.059 8.693 1.00 1.03 C ATOM 639 O GLU A 39 1.604 4.231 9.010 1.00 1.92 O ATOM 640 CB GLU A 39 0.157 3.760 6.533 1.00 1.01 C ATOM 641 CG GLU A 39 -1.283 3.848 7.062 1.00 1.31 C ATOM 642 CD GLU A 39 -1.844 5.246 6.944 1.00 1.69 C ATOM 643 OE1 GLU A 39 -1.536 5.900 5.924 1.00 1.73 O ATOM 644 OE2 GLU A 39 -2.499 5.710 7.901 1.00 2.85 O ATOM 0 H GLU A 39 -0.624 1.409 6.940 1.00 0.64 H new ATOM 0 HA GLU A 39 1.974 2.669 6.742 1.00 0.79 H new ATOM 0 HB2 GLU A 39 0.637 4.732 6.646 1.00 1.01 H new ATOM 0 HB3 GLU A 39 0.130 3.539 5.466 1.00 1.01 H new ATOM 0 HG2 GLU A 39 -1.916 3.155 6.508 1.00 1.31 H new ATOM 0 HG3 GLU A 39 -1.306 3.535 8.106 1.00 1.31 H new ATOM 651 N ARG A 40 1.506 2.064 9.575 1.00 0.79 N ATOM 652 CA ARG A 40 2.150 2.169 10.878 1.00 0.96 C ATOM 653 C ARG A 40 3.192 1.054 11.070 1.00 1.09 C ATOM 654 O ARG A 40 3.775 0.952 12.145 1.00 1.61 O ATOM 655 CB ARG A 40 1.076 2.136 11.974 1.00 1.55 C ATOM 656 CG ARG A 40 0.293 3.454 12.011 1.00 1.39 C ATOM 657 CD ARG A 40 -0.855 3.376 13.021 1.00 2.01 C ATOM 658 NE ARG A 40 -1.957 2.553 12.496 1.00 2.93 N ATOM 659 CZ ARG A 40 -2.641 1.607 13.156 1.00 3.98 C ATOM 660 NH1 ARG A 40 -2.161 1.074 14.275 1.00 4.30 N ATOM 661 NH2 ARG A 40 -3.814 1.189 12.678 1.00 5.45 N ATOM 0 H ARG A 40 1.141 1.130 9.390 1.00 0.79 H new ATOM 0 HA ARG A 40 2.687 3.115 10.942 1.00 0.96 H new ATOM 0 HB2 ARG A 40 0.392 1.307 11.794 1.00 1.55 H new ATOM 0 HB3 ARG A 40 1.544 1.959 12.942 1.00 1.55 H new ATOM 0 HG2 ARG A 40 0.962 4.272 12.277 1.00 1.39 H new ATOM 0 HG3 ARG A 40 -0.103 3.675 11.020 1.00 1.39 H new ATOM 0 HD2 ARG A 40 -0.493 2.953 13.958 1.00 2.01 H new ATOM 0 HD3 ARG A 40 -1.218 4.379 13.244 1.00 2.01 H new ATOM 0 HE ARG A 40 -2.229 2.720 11.527 1.00 2.93 H new ATOM 0 HH11 ARG A 40 -1.261 1.384 14.642 1.00 4.30 H new ATOM 0 HH12 ARG A 40 -2.692 0.355 14.766 1.00 4.30 H new ATOM 0 HH21 ARG A 40 -4.185 1.589 11.816 1.00 5.45 H new ATOM 0 HH22 ARG A 40 -4.340 0.470 13.174 1.00 5.45 H new ATOM 675 N SER A 41 3.441 0.214 10.058 1.00 1.11 N ATOM 676 CA SER A 41 4.428 -0.868 10.014 1.00 1.73 C ATOM 677 C SER A 41 4.185 -2.034 10.981 1.00 1.28 C ATOM 678 O SER A 41 4.843 -3.066 10.865 1.00 2.01 O ATOM 679 CB SER A 41 5.871 -0.351 10.066 1.00 2.78 C ATOM 680 OG SER A 41 6.245 0.147 11.336 1.00 3.66 O ATOM 0 H SER A 41 2.918 0.279 9.185 1.00 1.11 H new ATOM 0 HA SER A 41 4.274 -1.314 9.032 1.00 1.73 H new ATOM 0 HB2 SER A 41 6.548 -1.158 9.787 1.00 2.78 H new ATOM 0 HB3 SER A 41 5.993 0.438 9.324 1.00 2.78 H new ATOM 0 HG SER A 41 5.442 0.393 11.840 1.00 3.66 H new ATOM 686 N GLU A 42 3.246 -1.898 11.923 1.00 0.95 N ATOM 687 CA GLU A 42 2.932 -2.917 12.920 1.00 1.11 C ATOM 688 C GLU A 42 2.578 -4.255 12.260 1.00 1.12 C ATOM 689 O GLU A 42 2.906 -5.320 12.780 1.00 1.54 O ATOM 690 CB GLU A 42 1.835 -2.390 13.854 1.00 1.61 C ATOM 691 CG GLU A 42 0.520 -2.066 13.127 1.00 1.69 C ATOM 692 CD GLU A 42 -0.334 -1.096 13.925 1.00 1.90 C ATOM 693 OE1 GLU A 42 0.162 0.019 14.209 1.00 3.11 O ATOM 694 OE2 GLU A 42 -1.520 -1.408 14.182 1.00 2.33 O ATOM 0 H GLU A 42 2.674 -1.058 12.012 1.00 0.95 H new ATOM 0 HA GLU A 42 3.813 -3.121 13.528 1.00 1.11 H new ATOM 0 HB2 GLU A 42 1.640 -3.132 14.629 1.00 1.61 H new ATOM 0 HB3 GLU A 42 2.195 -1.492 14.356 1.00 1.61 H new ATOM 0 HG2 GLU A 42 0.740 -1.639 12.149 1.00 1.69 H new ATOM 0 HG3 GLU A 42 -0.038 -2.986 12.955 1.00 1.69 H new ATOM 701 N THR A 43 1.962 -4.187 11.080 1.00 0.98 N ATOM 702 CA THR A 43 2.068 -5.217 10.063 1.00 0.95 C ATOM 703 C THR A 43 2.489 -4.498 8.784 1.00 1.01 C ATOM 704 O THR A 43 2.265 -3.293 8.691 1.00 1.13 O ATOM 705 CB THR A 43 0.723 -5.935 9.879 1.00 1.01 C ATOM 706 OG1 THR A 43 -0.322 -5.009 9.641 1.00 1.03 O ATOM 707 CG2 THR A 43 0.359 -6.761 11.115 1.00 1.20 C ATOM 0 H THR A 43 1.370 -3.403 10.806 1.00 0.98 H new ATOM 0 HA THR A 43 2.792 -5.984 10.339 1.00 0.95 H new ATOM 0 HB THR A 43 0.836 -6.594 9.018 1.00 1.01 H new ATOM 0 HG1 THR A 43 -0.925 -5.366 8.956 1.00 1.03 H new ATOM 0 HG21 THR A 43 -0.598 -7.256 10.953 1.00 1.20 H new ATOM 0 HG22 THR A 43 1.130 -7.511 11.292 1.00 1.20 H new ATOM 0 HG23 THR A 43 0.285 -6.105 11.982 1.00 1.20 H new ATOM 715 N GLU A 44 3.014 -5.226 7.798 1.00 1.11 N ATOM 716 CA GLU A 44 3.295 -4.738 6.454 1.00 1.26 C ATOM 717 C GLU A 44 2.832 -5.830 5.478 1.00 0.94 C ATOM 718 O GLU A 44 2.664 -6.975 5.902 1.00 1.02 O ATOM 719 CB GLU A 44 4.790 -4.375 6.329 1.00 1.91 C ATOM 720 CG GLU A 44 5.101 -3.072 7.088 1.00 3.40 C ATOM 721 CD GLU A 44 6.312 -2.311 6.554 1.00 3.94 C ATOM 722 OE1 GLU A 44 7.289 -2.965 6.131 1.00 3.91 O ATOM 723 OE2 GLU A 44 6.235 -1.062 6.532 1.00 5.16 O ATOM 0 H GLU A 44 3.263 -6.207 7.921 1.00 1.11 H new ATOM 0 HA GLU A 44 2.757 -3.819 6.221 1.00 1.26 H new ATOM 0 HB2 GLU A 44 5.400 -5.187 6.725 1.00 1.91 H new ATOM 0 HB3 GLU A 44 5.055 -4.261 5.278 1.00 1.91 H new ATOM 0 HG2 GLU A 44 4.228 -2.421 7.043 1.00 3.40 H new ATOM 0 HG3 GLU A 44 5.269 -3.308 8.139 1.00 3.40 H new ATOM 730 N PRO A 45 2.540 -5.491 4.212 1.00 0.78 N ATOM 731 CA PRO A 45 2.006 -6.427 3.226 1.00 0.66 C ATOM 732 C PRO A 45 3.002 -7.540 2.887 1.00 0.73 C ATOM 733 O PRO A 45 4.207 -7.390 3.082 1.00 0.98 O ATOM 734 CB PRO A 45 1.725 -5.584 1.978 1.00 0.59 C ATOM 735 CG PRO A 45 2.711 -4.429 2.130 1.00 0.68 C ATOM 736 CD PRO A 45 2.669 -4.168 3.627 1.00 0.85 C ATOM 0 HA PRO A 45 1.116 -6.924 3.612 1.00 0.66 H new ATOM 0 HB2 PRO A 45 1.898 -6.147 1.061 1.00 0.59 H new ATOM 0 HB3 PRO A 45 0.693 -5.235 1.948 1.00 0.59 H new ATOM 0 HG2 PRO A 45 3.711 -4.700 1.792 1.00 0.68 H new ATOM 0 HG3 PRO A 45 2.406 -3.555 1.555 1.00 0.68 H new ATOM 0 HD2 PRO A 45 3.574 -3.667 3.970 1.00 0.85 H new ATOM 0 HD3 PRO A 45 1.829 -3.529 3.897 1.00 0.85 H new ATOM 744 N ASN A 46 2.487 -8.636 2.319 1.00 0.66 N ATOM 745 CA ASN A 46 3.258 -9.733 1.746 1.00 0.70 C ATOM 746 C ASN A 46 2.955 -9.850 0.254 1.00 0.66 C ATOM 747 O ASN A 46 2.124 -9.111 -0.258 1.00 0.68 O ATOM 748 CB ASN A 46 2.932 -11.045 2.475 1.00 0.78 C ATOM 749 CG ASN A 46 1.494 -11.518 2.239 1.00 0.91 C ATOM 750 OD1 ASN A 46 0.643 -10.766 1.775 1.00 1.58 O ATOM 751 ND2 ASN A 46 1.209 -12.778 2.549 1.00 1.58 N ATOM 0 H ASN A 46 1.481 -8.784 2.245 1.00 0.66 H new ATOM 0 HA ASN A 46 4.322 -9.531 1.870 1.00 0.70 H new ATOM 0 HB2 ASN A 46 3.623 -11.820 2.143 1.00 0.78 H new ATOM 0 HB3 ASN A 46 3.094 -10.910 3.544 1.00 0.78 H new ATOM 0 HD21 ASN A 46 0.266 -13.139 2.402 1.00 1.58 H new ATOM 0 HD22 ASN A 46 1.933 -13.385 2.934 1.00 1.58 H new ATOM 758 N GLY A 47 3.640 -10.771 -0.432 1.00 0.66 N ATOM 759 CA GLY A 47 3.723 -10.873 -1.887 1.00 0.67 C ATOM 760 C GLY A 47 2.476 -10.410 -2.643 1.00 0.65 C ATOM 761 O GLY A 47 2.499 -9.372 -3.300 1.00 0.66 O ATOM 0 H GLY A 47 4.177 -11.500 0.038 1.00 0.66 H new ATOM 0 HA2 GLY A 47 4.575 -10.285 -2.229 1.00 0.67 H new ATOM 0 HA3 GLY A 47 3.925 -11.911 -2.152 1.00 0.67 H new ATOM 765 N GLU A 48 1.391 -11.182 -2.565 1.00 0.67 N ATOM 766 CA GLU A 48 0.176 -10.892 -3.318 1.00 0.71 C ATOM 767 C GLU A 48 -0.332 -9.494 -2.957 1.00 0.67 C ATOM 768 O GLU A 48 -0.589 -8.665 -3.826 1.00 0.77 O ATOM 769 CB GLU A 48 -0.864 -11.992 -3.040 1.00 0.82 C ATOM 770 CG GLU A 48 -2.104 -11.907 -3.946 1.00 2.11 C ATOM 771 CD GLU A 48 -3.004 -10.711 -3.649 1.00 3.76 C ATOM 772 OE1 GLU A 48 -3.063 -10.328 -2.459 1.00 4.23 O ATOM 773 OE2 GLU A 48 -3.592 -10.190 -4.618 1.00 5.05 O ATOM 0 H GLU A 48 1.332 -12.018 -1.983 1.00 0.67 H new ATOM 0 HA GLU A 48 0.377 -10.892 -4.389 1.00 0.71 H new ATOM 0 HB2 GLU A 48 -0.394 -12.967 -3.171 1.00 0.82 H new ATOM 0 HB3 GLU A 48 -1.180 -11.928 -1.999 1.00 0.82 H new ATOM 0 HG2 GLU A 48 -1.780 -11.857 -4.985 1.00 2.11 H new ATOM 0 HG3 GLU A 48 -2.685 -12.823 -3.837 1.00 2.11 H new ATOM 780 N ASN A 49 -0.430 -9.208 -1.661 1.00 0.58 N ATOM 781 CA ASN A 49 -0.972 -7.942 -1.195 1.00 0.53 C ATOM 782 C ASN A 49 -0.089 -6.779 -1.652 1.00 0.55 C ATOM 783 O ASN A 49 -0.591 -5.705 -1.966 1.00 0.64 O ATOM 784 CB ASN A 49 -1.112 -7.969 0.330 1.00 0.53 C ATOM 785 CG ASN A 49 -2.357 -8.686 0.861 1.00 0.80 C ATOM 786 OD1 ASN A 49 -2.705 -8.504 2.023 1.00 1.36 O ATOM 787 ND2 ASN A 49 -3.059 -9.494 0.071 1.00 0.81 N ATOM 0 H ASN A 49 -0.139 -9.841 -0.916 1.00 0.58 H new ATOM 0 HA ASN A 49 -1.961 -7.794 -1.629 1.00 0.53 H new ATOM 0 HB2 ASN A 49 -0.229 -8.450 0.751 1.00 0.53 H new ATOM 0 HB3 ASN A 49 -1.121 -6.942 0.696 1.00 0.53 H new ATOM 0 HD21 ASN A 49 -3.889 -9.964 0.431 1.00 0.81 H new ATOM 0 HD22 ASN A 49 -2.767 -9.643 -0.895 1.00 0.81 H new ATOM 794 N LEU A 50 1.225 -6.992 -1.718 1.00 0.52 N ATOM 795 CA LEU A 50 2.200 -6.058 -2.255 1.00 0.53 C ATOM 796 C LEU A 50 1.913 -5.860 -3.751 1.00 0.49 C ATOM 797 O LEU A 50 1.840 -4.726 -4.222 1.00 0.47 O ATOM 798 CB LEU A 50 3.612 -6.617 -1.963 1.00 0.58 C ATOM 799 CG LEU A 50 4.787 -5.626 -2.008 1.00 0.70 C ATOM 800 CD1 LEU A 50 4.817 -4.788 -3.281 1.00 1.26 C ATOM 801 CD2 LEU A 50 4.812 -4.704 -0.789 1.00 1.84 C ATOM 0 H LEU A 50 1.651 -7.856 -1.384 1.00 0.52 H new ATOM 0 HA LEU A 50 2.138 -5.075 -1.788 1.00 0.53 H new ATOM 0 HB2 LEU A 50 3.595 -7.075 -0.974 1.00 0.58 H new ATOM 0 HB3 LEU A 50 3.814 -7.413 -2.680 1.00 0.58 H new ATOM 0 HG LEU A 50 5.681 -6.250 -1.998 1.00 0.70 H new ATOM 0 HD11 LEU A 50 5.670 -4.110 -3.250 1.00 1.26 H new ATOM 0 HD12 LEU A 50 4.907 -5.444 -4.147 1.00 1.26 H new ATOM 0 HD13 LEU A 50 3.896 -4.210 -3.358 1.00 1.26 H new ATOM 0 HD21 LEU A 50 5.659 -4.022 -0.866 1.00 1.84 H new ATOM 0 HD22 LEU A 50 3.887 -4.130 -0.748 1.00 1.84 H new ATOM 0 HD23 LEU A 50 4.908 -5.302 0.117 1.00 1.84 H new ATOM 813 N LEU A 51 1.705 -6.942 -4.510 1.00 0.49 N ATOM 814 CA LEU A 51 1.289 -6.852 -5.908 1.00 0.49 C ATOM 815 C LEU A 51 0.013 -6.009 -6.045 1.00 0.50 C ATOM 816 O LEU A 51 -0.049 -5.125 -6.909 1.00 0.55 O ATOM 817 CB LEU A 51 1.091 -8.252 -6.531 1.00 0.53 C ATOM 818 CG LEU A 51 2.297 -8.849 -7.275 1.00 0.66 C ATOM 819 CD1 LEU A 51 2.653 -8.040 -8.525 1.00 2.55 C ATOM 820 CD2 LEU A 51 3.522 -9.041 -6.377 1.00 1.90 C ATOM 0 H LEU A 51 1.820 -7.897 -4.172 1.00 0.49 H new ATOM 0 HA LEU A 51 2.088 -6.356 -6.458 1.00 0.49 H new ATOM 0 HB2 LEU A 51 0.805 -8.941 -5.737 1.00 0.53 H new ATOM 0 HB3 LEU A 51 0.253 -8.201 -7.226 1.00 0.53 H new ATOM 0 HG LEU A 51 1.985 -9.843 -7.594 1.00 0.66 H new ATOM 0 HD11 LEU A 51 3.510 -8.495 -9.021 1.00 2.55 H new ATOM 0 HD12 LEU A 51 1.802 -8.030 -9.206 1.00 2.55 H new ATOM 0 HD13 LEU A 51 2.900 -7.018 -8.239 1.00 2.55 H new ATOM 0 HD21 LEU A 51 4.338 -9.465 -6.961 1.00 1.90 H new ATOM 0 HD22 LEU A 51 3.829 -8.078 -5.970 1.00 1.90 H new ATOM 0 HD23 LEU A 51 3.271 -9.717 -5.559 1.00 1.90 H new ATOM 832 N ALA A 52 -1.004 -6.282 -5.222 1.00 0.50 N ATOM 833 CA ALA A 52 -2.276 -5.572 -5.246 1.00 0.51 C ATOM 834 C ALA A 52 -2.072 -4.095 -4.925 1.00 0.50 C ATOM 835 O ALA A 52 -2.517 -3.239 -5.682 1.00 0.62 O ATOM 836 CB ALA A 52 -3.264 -6.235 -4.283 1.00 0.56 C ATOM 0 H ALA A 52 -0.961 -7.013 -4.512 1.00 0.50 H new ATOM 0 HA ALA A 52 -2.699 -5.628 -6.249 1.00 0.51 H new ATOM 0 HB1 ALA A 52 -4.212 -5.698 -4.307 1.00 0.56 H new ATOM 0 HB2 ALA A 52 -3.426 -7.270 -4.583 1.00 0.56 H new ATOM 0 HB3 ALA A 52 -2.859 -6.210 -3.271 1.00 0.56 H new ATOM 842 N LEU A 53 -1.355 -3.790 -3.843 1.00 0.47 N ATOM 843 CA LEU A 53 -0.953 -2.438 -3.478 1.00 0.50 C ATOM 844 C LEU A 53 -0.306 -1.735 -4.667 1.00 0.48 C ATOM 845 O LEU A 53 -0.709 -0.640 -5.055 1.00 0.53 O ATOM 846 CB LEU A 53 0.042 -2.521 -2.314 1.00 0.51 C ATOM 847 CG LEU A 53 -0.606 -2.461 -0.935 1.00 0.60 C ATOM 848 CD1 LEU A 53 0.478 -2.887 0.054 1.00 1.23 C ATOM 849 CD2 LEU A 53 -1.060 -1.028 -0.618 1.00 1.93 C ATOM 0 H LEU A 53 -1.031 -4.496 -3.182 1.00 0.47 H new ATOM 0 HA LEU A 53 -1.830 -1.864 -3.180 1.00 0.50 H new ATOM 0 HB2 LEU A 53 0.606 -3.450 -2.398 1.00 0.51 H new ATOM 0 HB3 LEU A 53 0.758 -1.704 -2.403 1.00 0.51 H new ATOM 0 HG LEU A 53 -1.484 -3.104 -0.882 1.00 0.60 H new ATOM 0 HD11 LEU A 53 0.075 -2.865 1.067 1.00 1.23 H new ATOM 0 HD12 LEU A 53 0.810 -3.898 -0.183 1.00 1.23 H new ATOM 0 HD13 LEU A 53 1.323 -2.202 -0.015 1.00 1.23 H new ATOM 0 HD21 LEU A 53 -1.520 -1.002 0.370 1.00 1.93 H new ATOM 0 HD22 LEU A 53 -0.198 -0.361 -0.634 1.00 1.93 H new ATOM 0 HD23 LEU A 53 -1.784 -0.702 -1.365 1.00 1.93 H new ATOM 861 N SER A 54 0.703 -2.378 -5.251 1.00 0.43 N ATOM 862 CA SER A 54 1.448 -1.829 -6.371 1.00 0.43 C ATOM 863 C SER A 54 0.542 -1.608 -7.581 1.00 0.39 C ATOM 864 O SER A 54 0.727 -0.649 -8.328 1.00 0.59 O ATOM 865 CB SER A 54 2.620 -2.753 -6.705 1.00 0.49 C ATOM 866 OG SER A 54 3.430 -2.937 -5.567 1.00 1.77 O ATOM 0 H SER A 54 1.025 -3.300 -4.955 1.00 0.43 H new ATOM 0 HA SER A 54 1.844 -0.853 -6.092 1.00 0.43 H new ATOM 0 HB2 SER A 54 2.246 -3.715 -7.055 1.00 0.49 H new ATOM 0 HB3 SER A 54 3.210 -2.326 -7.516 1.00 0.49 H new ATOM 0 HG SER A 54 2.990 -3.557 -4.949 1.00 1.77 H new ATOM 872 N LYS A 55 -0.453 -2.485 -7.769 1.00 0.37 N ATOM 873 CA LYS A 55 -1.506 -2.248 -8.743 1.00 0.39 C ATOM 874 C LYS A 55 -2.231 -0.949 -8.374 1.00 0.50 C ATOM 875 O LYS A 55 -2.164 0.032 -9.113 1.00 0.71 O ATOM 876 CB LYS A 55 -2.469 -3.456 -8.817 1.00 0.64 C ATOM 877 CG LYS A 55 -2.799 -3.872 -10.257 1.00 1.58 C ATOM 878 CD LYS A 55 -1.939 -5.024 -10.802 1.00 2.61 C ATOM 879 CE LYS A 55 -0.424 -4.763 -10.808 1.00 4.17 C ATOM 880 NZ LYS A 55 0.238 -5.156 -9.545 1.00 5.05 N ATOM 0 H LYS A 55 -0.543 -3.362 -7.256 1.00 0.37 H new ATOM 0 HA LYS A 55 -1.077 -2.137 -9.739 1.00 0.39 H new ATOM 0 HB2 LYS A 55 -2.023 -4.302 -8.293 1.00 0.64 H new ATOM 0 HB3 LYS A 55 -3.393 -3.209 -8.295 1.00 0.64 H new ATOM 0 HG2 LYS A 55 -3.848 -4.164 -10.306 1.00 1.58 H new ATOM 0 HG3 LYS A 55 -2.679 -3.006 -10.908 1.00 1.58 H new ATOM 0 HD2 LYS A 55 -2.136 -5.916 -10.207 1.00 2.61 H new ATOM 0 HD3 LYS A 55 -2.258 -5.244 -11.821 1.00 2.61 H new ATOM 0 HE2 LYS A 55 0.030 -5.310 -11.634 1.00 4.17 H new ATOM 0 HE3 LYS A 55 -0.245 -3.703 -10.991 1.00 4.17 H new ATOM 0 HZ1 LYS A 55 1.244 -4.894 -9.584 1.00 5.05 H new ATOM 0 HZ2 LYS A 55 -0.217 -4.667 -8.748 1.00 5.05 H new ATOM 0 HZ3 LYS A 55 0.153 -6.184 -9.414 1.00 5.05 H new ATOM 894 N ALA A 56 -2.894 -0.940 -7.213 1.00 0.53 N ATOM 895 CA ALA A 56 -3.743 0.154 -6.760 1.00 0.60 C ATOM 896 C ALA A 56 -3.074 1.517 -6.861 1.00 0.65 C ATOM 897 O ALA A 56 -3.665 2.500 -7.300 1.00 0.78 O ATOM 898 CB ALA A 56 -4.215 -0.124 -5.332 1.00 0.67 C ATOM 0 H ALA A 56 -2.851 -1.714 -6.550 1.00 0.53 H new ATOM 0 HA ALA A 56 -4.602 0.198 -7.430 1.00 0.60 H new ATOM 0 HB1 ALA A 56 -4.850 0.694 -4.993 1.00 0.67 H new ATOM 0 HB2 ALA A 56 -4.781 -1.055 -5.311 1.00 0.67 H new ATOM 0 HB3 ALA A 56 -3.351 -0.209 -4.673 1.00 0.67 H new ATOM 904 N LEU A 57 -1.827 1.545 -6.423 1.00 0.59 N ATOM 905 CA LEU A 57 -1.018 2.747 -6.301 1.00 0.61 C ATOM 906 C LEU A 57 -0.135 2.998 -7.525 1.00 0.64 C ATOM 907 O LEU A 57 0.569 4.015 -7.584 1.00 0.78 O ATOM 908 CB LEU A 57 -0.222 2.695 -4.995 1.00 0.83 C ATOM 909 CG LEU A 57 -1.146 2.579 -3.771 1.00 1.03 C ATOM 910 CD1 LEU A 57 -0.315 2.639 -2.491 1.00 1.63 C ATOM 911 CD2 LEU A 57 -2.181 3.709 -3.738 1.00 1.68 C ATOM 0 H LEU A 57 -1.332 0.702 -6.132 1.00 0.59 H new ATOM 0 HA LEU A 57 -1.686 3.607 -6.263 1.00 0.61 H new ATOM 0 HB2 LEU A 57 0.460 1.845 -5.018 1.00 0.83 H new ATOM 0 HB3 LEU A 57 0.390 3.593 -4.906 1.00 0.83 H new ATOM 0 HG LEU A 57 -1.671 1.626 -3.842 1.00 1.03 H new ATOM 0 HD11 LEU A 57 -0.973 2.557 -1.626 1.00 1.63 H new ATOM 0 HD12 LEU A 57 0.400 1.817 -2.483 1.00 1.63 H new ATOM 0 HD13 LEU A 57 0.222 3.587 -2.450 1.00 1.63 H new ATOM 0 HD21 LEU A 57 -2.816 3.595 -2.860 1.00 1.68 H new ATOM 0 HD22 LEU A 57 -1.669 4.670 -3.693 1.00 1.68 H new ATOM 0 HD23 LEU A 57 -2.795 3.667 -4.638 1.00 1.68 H new ATOM 923 N GLN A 58 -0.207 2.116 -8.527 1.00 0.74 N ATOM 924 CA GLN A 58 0.451 2.272 -9.810 1.00 0.96 C ATOM 925 C GLN A 58 1.970 2.367 -9.618 1.00 1.07 C ATOM 926 O GLN A 58 2.555 3.460 -9.616 1.00 1.40 O ATOM 927 CB GLN A 58 -0.165 3.448 -10.586 1.00 1.03 C ATOM 928 CG GLN A 58 -1.678 3.260 -10.794 1.00 1.19 C ATOM 929 CD GLN A 58 -2.346 4.552 -11.249 1.00 1.82 C ATOM 930 OE1 GLN A 58 -3.253 5.056 -10.597 1.00 2.13 O ATOM 931 NE2 GLN A 58 -1.884 5.125 -12.355 1.00 3.50 N ATOM 0 H GLN A 58 -0.743 1.251 -8.457 1.00 0.74 H new ATOM 0 HA GLN A 58 0.284 1.391 -10.429 1.00 0.96 H new ATOM 0 HB2 GLN A 58 0.016 4.376 -10.044 1.00 1.03 H new ATOM 0 HB3 GLN A 58 0.327 3.543 -11.554 1.00 1.03 H new ATOM 0 HG2 GLN A 58 -1.850 2.480 -11.536 1.00 1.19 H new ATOM 0 HG3 GLN A 58 -2.135 2.922 -9.864 1.00 1.19 H new ATOM 0 HE21 GLN A 58 -1.128 4.685 -12.880 1.00 3.50 H new ATOM 0 HE22 GLN A 58 -2.285 6.005 -12.679 1.00 3.50 H new ATOM 940 N CYS A 59 2.592 1.200 -9.442 1.00 0.92 N ATOM 941 CA CYS A 59 4.031 0.967 -9.452 1.00 0.94 C ATOM 942 C CYS A 59 4.271 -0.538 -9.617 1.00 0.78 C ATOM 943 O CYS A 59 3.317 -1.315 -9.649 1.00 0.69 O ATOM 944 CB CYS A 59 4.693 1.507 -8.176 1.00 1.05 C ATOM 945 SG CYS A 59 4.258 0.514 -6.732 1.00 0.96 S ATOM 0 H CYS A 59 2.068 0.340 -9.279 1.00 0.92 H new ATOM 0 HA CYS A 59 4.486 1.503 -10.285 1.00 0.94 H new ATOM 0 HB2 CYS A 59 5.776 1.513 -8.302 1.00 1.05 H new ATOM 0 HB3 CYS A 59 4.385 2.540 -8.014 1.00 1.05 H new ATOM 0 HG CYS A 59 4.968 -0.575 -6.724 1.00 0.96 H new ATOM 951 N SER A 60 5.531 -0.960 -9.728 1.00 0.84 N ATOM 952 CA SER A 60 5.936 -2.359 -9.711 1.00 0.78 C ATOM 953 C SER A 60 6.113 -2.794 -8.252 1.00 0.68 C ATOM 954 O SER A 60 6.395 -1.943 -7.411 1.00 0.73 O ATOM 955 CB SER A 60 7.266 -2.448 -10.467 1.00 1.04 C ATOM 956 OG SER A 60 8.096 -1.373 -10.061 1.00 1.19 O ATOM 0 H SER A 60 6.316 -0.318 -9.835 1.00 0.84 H new ATOM 0 HA SER A 60 5.196 -3.008 -10.180 1.00 0.78 H new ATOM 0 HB2 SER A 60 7.754 -3.400 -10.261 1.00 1.04 H new ATOM 0 HB3 SER A 60 7.092 -2.405 -11.542 1.00 1.04 H new ATOM 0 HG SER A 60 8.951 -1.422 -10.538 1.00 1.19 H new ATOM 962 N PRO A 61 5.990 -4.083 -7.907 1.00 0.65 N ATOM 963 CA PRO A 61 6.320 -4.533 -6.561 1.00 0.65 C ATOM 964 C PRO A 61 7.778 -4.184 -6.242 1.00 0.64 C ATOM 965 O PRO A 61 8.100 -3.710 -5.149 1.00 0.69 O ATOM 966 CB PRO A 61 6.033 -6.036 -6.557 1.00 0.74 C ATOM 967 CG PRO A 61 6.183 -6.449 -8.021 1.00 0.80 C ATOM 968 CD PRO A 61 5.720 -5.208 -8.788 1.00 0.73 C ATOM 0 HA PRO A 61 5.733 -4.046 -5.782 1.00 0.65 H new ATOM 0 HB2 PRO A 61 6.733 -6.574 -5.918 1.00 0.74 H new ATOM 0 HB3 PRO A 61 5.032 -6.249 -6.183 1.00 0.74 H new ATOM 0 HG2 PRO A 61 7.214 -6.709 -8.262 1.00 0.80 H new ATOM 0 HG3 PRO A 61 5.571 -7.319 -8.258 1.00 0.80 H new ATOM 0 HD2 PRO A 61 6.258 -5.106 -9.731 1.00 0.73 H new ATOM 0 HD3 PRO A 61 4.659 -5.270 -9.031 1.00 0.73 H new ATOM 976 N ASP A 62 8.640 -4.355 -7.248 1.00 0.68 N ATOM 977 CA ASP A 62 10.038 -3.962 -7.277 1.00 0.87 C ATOM 978 C ASP A 62 10.239 -2.548 -6.741 1.00 0.91 C ATOM 979 O ASP A 62 11.219 -2.293 -6.051 1.00 1.16 O ATOM 980 CB ASP A 62 10.566 -4.050 -8.718 1.00 1.14 C ATOM 981 CG ASP A 62 10.165 -5.347 -9.403 1.00 2.77 C ATOM 982 OD1 ASP A 62 8.946 -5.456 -9.672 1.00 3.68 O ATOM 983 OD2 ASP A 62 11.054 -6.199 -9.601 1.00 3.98 O ATOM 0 H ASP A 62 8.353 -4.802 -8.119 1.00 0.68 H new ATOM 0 HA ASP A 62 10.593 -4.644 -6.633 1.00 0.87 H new ATOM 0 HB2 ASP A 62 10.186 -3.206 -9.294 1.00 1.14 H new ATOM 0 HB3 ASP A 62 11.653 -3.967 -8.710 1.00 1.14 H new ATOM 988 N TYR A 63 9.330 -1.618 -7.049 1.00 0.82 N ATOM 989 CA TYR A 63 9.451 -0.239 -6.600 1.00 0.92 C ATOM 990 C TYR A 63 9.546 -0.158 -5.082 1.00 0.95 C ATOM 991 O TYR A 63 10.340 0.599 -4.523 1.00 1.19 O ATOM 992 CB TYR A 63 8.251 0.567 -7.116 1.00 0.91 C ATOM 993 CG TYR A 63 8.215 2.026 -6.716 1.00 1.06 C ATOM 994 CD1 TYR A 63 8.864 2.974 -7.521 1.00 2.48 C ATOM 995 CD2 TYR A 63 7.394 2.454 -5.657 1.00 1.58 C ATOM 996 CE1 TYR A 63 8.733 4.335 -7.221 1.00 2.75 C ATOM 997 CE2 TYR A 63 7.379 3.806 -5.283 1.00 1.58 C ATOM 998 CZ TYR A 63 8.143 4.729 -6.012 1.00 1.64 C ATOM 999 OH TYR A 63 8.084 6.058 -5.716 1.00 2.04 O ATOM 0 H TYR A 63 8.499 -1.803 -7.611 1.00 0.82 H new ATOM 0 HA TYR A 63 10.371 0.184 -7.003 1.00 0.92 H new ATOM 0 HB2 TYR A 63 8.239 0.508 -8.204 1.00 0.91 H new ATOM 0 HB3 TYR A 63 7.338 0.090 -6.761 1.00 0.91 H new ATOM 0 HD1 TYR A 63 9.459 2.657 -8.364 1.00 2.48 H new ATOM 0 HD2 TYR A 63 6.775 1.742 -5.132 1.00 1.58 H new ATOM 0 HE1 TYR A 63 9.086 5.080 -7.919 1.00 2.75 H new ATOM 0 HE2 TYR A 63 6.785 4.133 -4.442 1.00 1.58 H new ATOM 0 HH TYR A 63 8.977 6.379 -5.472 1.00 2.04 H new ATOM 1009 N LEU A 64 8.728 -0.942 -4.395 1.00 0.89 N ATOM 1010 CA LEU A 64 8.753 -0.970 -2.953 1.00 1.18 C ATOM 1011 C LEU A 64 9.902 -1.854 -2.503 1.00 1.45 C ATOM 1012 O LEU A 64 10.778 -1.402 -1.762 1.00 2.08 O ATOM 1013 CB LEU A 64 7.392 -1.423 -2.440 1.00 1.29 C ATOM 1014 CG LEU A 64 6.382 -0.380 -2.944 1.00 1.17 C ATOM 1015 CD1 LEU A 64 5.309 -1.050 -3.804 1.00 1.32 C ATOM 1016 CD2 LEU A 64 5.704 0.310 -1.763 1.00 1.22 C ATOM 0 H LEU A 64 8.041 -1.565 -4.820 1.00 0.89 H new ATOM 0 HA LEU A 64 8.930 0.020 -2.532 1.00 1.18 H new ATOM 0 HB2 LEU A 64 7.145 -2.417 -2.813 1.00 1.29 H new ATOM 0 HB3 LEU A 64 7.384 -1.480 -1.352 1.00 1.29 H new ATOM 0 HG LEU A 64 6.922 0.355 -3.541 1.00 1.17 H new ATOM 0 HD11 LEU A 64 4.601 -0.298 -4.153 1.00 1.32 H new ATOM 0 HD12 LEU A 64 5.779 -1.533 -4.661 1.00 1.32 H new ATOM 0 HD13 LEU A 64 4.782 -1.797 -3.211 1.00 1.32 H new ATOM 0 HD21 LEU A 64 4.991 1.047 -2.133 1.00 1.22 H new ATOM 0 HD22 LEU A 64 5.180 -0.432 -1.160 1.00 1.22 H new ATOM 0 HD23 LEU A 64 6.456 0.808 -1.152 1.00 1.22 H new ATOM 1028 N LEU A 65 9.915 -3.094 -2.984 1.00 1.14 N ATOM 1029 CA LEU A 65 10.843 -4.103 -2.510 1.00 1.27 C ATOM 1030 C LEU A 65 12.303 -3.675 -2.708 1.00 1.66 C ATOM 1031 O LEU A 65 13.130 -3.976 -1.850 1.00 2.16 O ATOM 1032 CB LEU A 65 10.534 -5.448 -3.183 1.00 1.20 C ATOM 1033 CG LEU A 65 9.138 -6.006 -2.851 1.00 1.78 C ATOM 1034 CD1 LEU A 65 8.865 -7.228 -3.734 1.00 2.95 C ATOM 1035 CD2 LEU A 65 9.011 -6.414 -1.377 1.00 2.39 C ATOM 0 H LEU A 65 9.281 -3.422 -3.713 1.00 1.14 H new ATOM 0 HA LEU A 65 10.710 -4.222 -1.435 1.00 1.27 H new ATOM 0 HB2 LEU A 65 10.620 -5.331 -4.263 1.00 1.20 H new ATOM 0 HB3 LEU A 65 11.287 -6.176 -2.880 1.00 1.20 H new ATOM 0 HG LEU A 65 8.411 -5.217 -3.041 1.00 1.78 H new ATOM 0 HD11 LEU A 65 7.878 -7.629 -3.505 1.00 2.95 H new ATOM 0 HD12 LEU A 65 8.903 -6.935 -4.783 1.00 2.95 H new ATOM 0 HD13 LEU A 65 9.620 -7.991 -3.543 1.00 2.95 H new ATOM 0 HD21 LEU A 65 8.009 -6.801 -1.192 1.00 2.39 H new ATOM 0 HD22 LEU A 65 9.746 -7.185 -1.148 1.00 2.39 H new ATOM 0 HD23 LEU A 65 9.187 -5.545 -0.743 1.00 2.39 H new ATOM 1047 N LYS A 66 12.636 -2.991 -3.812 1.00 1.59 N ATOM 1048 CA LYS A 66 14.000 -2.566 -4.118 1.00 2.10 C ATOM 1049 C LYS A 66 14.011 -1.256 -4.921 1.00 2.71 C ATOM 1050 O LYS A 66 14.915 -1.066 -5.732 1.00 3.97 O ATOM 1051 CB LYS A 66 14.769 -3.653 -4.907 1.00 2.92 C ATOM 1052 CG LYS A 66 14.978 -5.002 -4.203 1.00 4.53 C ATOM 1053 CD LYS A 66 13.914 -6.026 -4.626 1.00 5.80 C ATOM 1054 CE LYS A 66 13.881 -7.247 -3.695 1.00 7.53 C ATOM 1055 NZ LYS A 66 15.148 -8.007 -3.713 1.00 8.66 N ATOM 0 H LYS A 66 11.956 -2.717 -4.521 1.00 1.59 H new ATOM 0 HA LYS A 66 14.499 -2.403 -3.163 1.00 2.10 H new ATOM 0 HB2 LYS A 66 14.237 -3.836 -5.840 1.00 2.92 H new ATOM 0 HB3 LYS A 66 15.748 -3.253 -5.171 1.00 2.92 H new ATOM 0 HG2 LYS A 66 15.970 -5.387 -4.439 1.00 4.53 H new ATOM 0 HG3 LYS A 66 14.940 -4.860 -3.123 1.00 4.53 H new ATOM 0 HD2 LYS A 66 12.934 -5.548 -4.631 1.00 5.80 H new ATOM 0 HD3 LYS A 66 14.114 -6.354 -5.646 1.00 5.80 H new ATOM 0 HE2 LYS A 66 13.673 -6.918 -2.677 1.00 7.53 H new ATOM 0 HE3 LYS A 66 13.063 -7.904 -3.991 1.00 7.53 H new ATOM 0 HZ1 LYS A 66 15.074 -8.820 -3.069 1.00 8.66 H new ATOM 0 HZ2 LYS A 66 15.336 -8.346 -4.678 1.00 8.66 H new ATOM 0 HZ3 LYS A 66 15.927 -7.391 -3.405 1.00 8.66 H new ATOM 1069 N GLY A 67 13.052 -0.341 -4.715 1.00 2.22 N ATOM 1070 CA GLY A 67 13.025 0.902 -5.475 1.00 3.21 C ATOM 1071 C GLY A 67 13.012 2.075 -4.519 1.00 1.93 C ATOM 1072 O GLY A 67 13.906 2.175 -3.675 1.00 2.14 O ATOM 0 H GLY A 67 12.297 -0.442 -4.036 1.00 2.22 H new ATOM 0 HA2 GLY A 67 13.896 0.961 -6.128 1.00 3.21 H new ATOM 0 HA3 GLY A 67 12.143 0.931 -6.115 1.00 3.21 H new ATOM 1076 N ASP A 68 11.999 2.937 -4.595 1.00 1.44 N ATOM 1077 CA ASP A 68 12.178 4.326 -4.184 1.00 1.92 C ATOM 1078 C ASP A 68 10.953 4.861 -3.488 1.00 2.63 C ATOM 1079 O ASP A 68 9.881 4.261 -3.523 1.00 3.61 O ATOM 1080 CB ASP A 68 12.657 5.221 -5.338 1.00 3.22 C ATOM 1081 CG ASP A 68 11.562 5.565 -6.323 1.00 3.92 C ATOM 1082 OD1 ASP A 68 10.668 6.338 -5.910 1.00 4.23 O ATOM 1083 OD2 ASP A 68 11.637 5.067 -7.463 1.00 5.02 O ATOM 0 H ASP A 68 11.064 2.704 -4.930 1.00 1.44 H new ATOM 0 HA ASP A 68 12.982 4.344 -3.448 1.00 1.92 H new ATOM 0 HB2 ASP A 68 13.069 6.143 -4.927 1.00 3.22 H new ATOM 0 HB3 ASP A 68 13.467 4.718 -5.867 1.00 3.22 H new ATOM 1088 N LEU A 69 11.173 5.974 -2.792 1.00 3.72 N ATOM 1089 CA LEU A 69 10.127 6.771 -2.196 1.00 5.41 C ATOM 1090 C LEU A 69 10.081 8.139 -2.884 1.00 5.61 C ATOM 1091 O LEU A 69 9.489 9.074 -2.358 1.00 6.95 O ATOM 1092 CB LEU A 69 10.392 6.808 -0.679 1.00 7.15 C ATOM 1093 CG LEU A 69 9.212 7.162 0.241 1.00 9.00 C ATOM 1094 CD1 LEU A 69 9.323 8.573 0.831 1.00 10.52 C ATOM 1095 CD2 LEU A 69 7.850 6.958 -0.423 1.00 9.05 C ATOM 0 H LEU A 69 12.108 6.347 -2.628 1.00 3.72 H new ATOM 0 HA LEU A 69 9.131 6.351 -2.337 1.00 5.41 H new ATOM 0 HB2 LEU A 69 10.770 5.830 -0.380 1.00 7.15 H new ATOM 0 HB3 LEU A 69 11.190 7.528 -0.495 1.00 7.15 H new ATOM 0 HG LEU A 69 9.277 6.453 1.066 1.00 9.00 H new ATOM 0 HD11 LEU A 69 8.463 8.768 1.472 1.00 10.52 H new ATOM 0 HD12 LEU A 69 10.238 8.651 1.418 1.00 10.52 H new ATOM 0 HD13 LEU A 69 9.347 9.304 0.023 1.00 10.52 H new ATOM 0 HD21 LEU A 69 7.060 7.225 0.278 1.00 9.05 H new ATOM 0 HD22 LEU A 69 7.779 7.590 -1.308 1.00 9.05 H new ATOM 0 HD23 LEU A 69 7.740 5.913 -0.713 1.00 9.05 H new ATOM 1107 N SER A 70 10.667 8.240 -4.086 1.00 4.79 N ATOM 1108 CA SER A 70 10.574 9.404 -4.967 1.00 5.57 C ATOM 1109 C SER A 70 10.722 10.719 -4.189 1.00 6.73 C ATOM 1110 O SER A 70 9.860 11.597 -4.257 1.00 7.77 O ATOM 1111 CB SER A 70 9.260 9.322 -5.763 1.00 6.67 C ATOM 1112 OG SER A 70 9.044 10.474 -6.555 1.00 7.54 O ATOM 0 H SER A 70 11.235 7.490 -4.480 1.00 4.79 H new ATOM 0 HA SER A 70 11.403 9.395 -5.674 1.00 5.57 H new ATOM 0 HB2 SER A 70 9.280 8.441 -6.404 1.00 6.67 H new ATOM 0 HB3 SER A 70 8.426 9.196 -5.073 1.00 6.67 H new ATOM 0 HG SER A 70 9.064 11.271 -5.985 1.00 7.54 H new ATOM 1118 N GLN A 71 11.841 10.874 -3.480 1.00 7.10 N ATOM 1119 CA GLN A 71 12.110 11.964 -2.549 1.00 8.64 C ATOM 1120 C GLN A 71 12.697 13.145 -3.319 1.00 9.11 C ATOM 1121 O GLN A 71 13.761 13.664 -2.994 1.00 10.13 O ATOM 1122 CB GLN A 71 13.034 11.460 -1.433 1.00 9.53 C ATOM 1123 CG GLN A 71 12.328 10.384 -0.600 1.00 9.83 C ATOM 1124 CD GLN A 71 13.249 9.832 0.478 1.00 10.42 C ATOM 1125 OE1 GLN A 71 13.400 10.425 1.540 1.00 11.53 O ATOM 1126 NE2 GLN A 71 13.880 8.690 0.227 1.00 10.10 N ATOM 0 H GLN A 71 12.616 10.214 -3.544 1.00 7.10 H new ATOM 0 HA GLN A 71 11.192 12.310 -2.074 1.00 8.64 H new ATOM 0 HB2 GLN A 71 13.948 11.053 -1.865 1.00 9.53 H new ATOM 0 HB3 GLN A 71 13.327 12.291 -0.792 1.00 9.53 H new ATOM 0 HG2 GLN A 71 11.435 10.805 -0.139 1.00 9.83 H new ATOM 0 HG3 GLN A 71 11.999 9.574 -1.251 1.00 9.83 H new ATOM 0 HE21 GLN A 71 13.739 8.214 -0.664 1.00 10.10 H new ATOM 0 HE22 GLN A 71 14.506 8.289 0.926 1.00 10.10 H new ATOM 1135 N THR A 72 11.964 13.515 -4.365 1.00 8.75 N ATOM 1136 CA THR A 72 12.271 14.563 -5.323 1.00 9.48 C ATOM 1137 C THR A 72 13.361 14.062 -6.269 1.00 9.07 C ATOM 1138 O THR A 72 14.541 13.958 -5.936 1.00 9.09 O ATOM 1139 CB THR A 72 12.654 15.883 -4.657 1.00 10.57 C ATOM 1140 OG1 THR A 72 11.882 16.101 -3.491 1.00 11.07 O ATOM 1141 CG2 THR A 72 12.435 17.063 -5.606 1.00 11.37 C ATOM 0 H THR A 72 11.078 13.056 -4.577 1.00 8.75 H new ATOM 0 HA THR A 72 11.369 14.785 -5.894 1.00 9.48 H new ATOM 0 HB THR A 72 13.710 15.814 -4.396 1.00 10.57 H new ATOM 0 HG1 THR A 72 12.144 16.951 -3.079 1.00 11.07 H new ATOM 0 HG21 THR A 72 12.716 17.990 -5.105 1.00 11.37 H new ATOM 0 HG22 THR A 72 13.049 16.932 -6.497 1.00 11.37 H new ATOM 0 HG23 THR A 72 11.384 17.109 -5.892 1.00 11.37 H new ATOM 1149 N ASN A 73 12.933 13.733 -7.476 1.00 9.31 N ATOM 1150 CA ASN A 73 13.734 13.031 -8.470 1.00 9.50 C ATOM 1151 C ASN A 73 14.592 14.051 -9.209 1.00 10.28 C ATOM 1152 O ASN A 73 14.363 14.304 -10.388 1.00 10.99 O ATOM 1153 CB ASN A 73 12.818 12.225 -9.402 1.00 9.77 C ATOM 1154 CG ASN A 73 11.948 11.258 -8.602 1.00 10.16 C ATOM 1155 OD1 ASN A 73 12.455 10.367 -7.930 1.00 10.36 O ATOM 1156 ND2 ASN A 73 10.633 11.459 -8.620 1.00 10.81 N ATOM 0 H ASN A 73 11.992 13.952 -7.803 1.00 9.31 H new ATOM 0 HA ASN A 73 14.404 12.312 -7.999 1.00 9.50 H new ATOM 0 HB2 ASN A 73 12.185 12.904 -9.973 1.00 9.77 H new ATOM 0 HB3 ASN A 73 13.421 11.670 -10.121 1.00 9.77 H new ATOM 0 HD21 ASN A 73 10.018 10.864 -8.065 1.00 10.81 H new ATOM 0 HD22 ASN A 73 10.239 12.209 -9.189 1.00 10.81 H new ATOM 1163 N VAL A 74 15.543 14.638 -8.472 1.00 10.59 N ATOM 1164 CA VAL A 74 16.247 15.878 -8.752 1.00 11.80 C ATOM 1165 C VAL A 74 15.317 17.033 -8.386 1.00 12.41 C ATOM 1166 O VAL A 74 14.207 17.139 -8.905 1.00 12.44 O ATOM 1167 CB VAL A 74 16.785 15.985 -10.192 1.00 12.29 C ATOM 1168 CG1 VAL A 74 17.537 17.308 -10.401 1.00 13.53 C ATOM 1169 CG2 VAL A 74 17.727 14.818 -10.518 1.00 12.43 C ATOM 0 H VAL A 74 15.859 14.219 -7.598 1.00 10.59 H new ATOM 0 HA VAL A 74 17.150 15.912 -8.143 1.00 11.80 H new ATOM 0 HB VAL A 74 15.925 15.949 -10.860 1.00 12.29 H new ATOM 0 HG11 VAL A 74 17.907 17.359 -11.425 1.00 13.53 H new ATOM 0 HG12 VAL A 74 16.861 18.143 -10.217 1.00 13.53 H new ATOM 0 HG13 VAL A 74 18.377 17.362 -9.709 1.00 13.53 H new ATOM 0 HG21 VAL A 74 18.091 14.919 -11.540 1.00 12.43 H new ATOM 0 HG22 VAL A 74 18.571 14.829 -9.829 1.00 12.43 H new ATOM 0 HG23 VAL A 74 17.188 13.876 -10.417 1.00 12.43 H new ATOM 1179 N ALA A 75 15.772 17.902 -7.481 1.00 13.25 N ATOM 1180 CA ALA A 75 15.131 19.182 -7.211 1.00 14.32 C ATOM 1181 C ALA A 75 15.344 20.109 -8.412 1.00 15.08 C ATOM 1182 O ALA A 75 16.115 21.062 -8.338 1.00 16.06 O ATOM 1183 CB ALA A 75 15.692 19.772 -5.913 1.00 15.39 C ATOM 0 H ALA A 75 16.602 17.732 -6.913 1.00 13.25 H new ATOM 0 HA ALA A 75 14.057 19.055 -7.072 1.00 14.32 H new ATOM 0 HB1 ALA A 75 15.212 20.730 -5.711 1.00 15.39 H new ATOM 0 HB2 ALA A 75 15.496 19.087 -5.088 1.00 15.39 H new ATOM 0 HB3 ALA A 75 16.767 19.919 -6.015 1.00 15.39 H new ATOM 1189 N TYR A 76 14.694 19.768 -9.525 1.00 14.90 N ATOM 1190 CA TYR A 76 14.732 20.515 -10.767 1.00 15.92 C ATOM 1191 C TYR A 76 13.853 21.760 -10.628 1.00 17.38 C ATOM 1192 O TYR A 76 12.779 21.645 -10.036 1.00 17.46 O ATOM 1193 CB TYR A 76 14.237 19.604 -11.898 1.00 15.74 C ATOM 1194 CG TYR A 76 14.334 20.211 -13.284 1.00 16.75 C ATOM 1195 CD1 TYR A 76 13.290 21.016 -13.776 1.00 17.75 C ATOM 1196 CD2 TYR A 76 15.471 19.978 -14.079 1.00 17.00 C ATOM 1197 CE1 TYR A 76 13.377 21.577 -15.062 1.00 18.96 C ATOM 1198 CE2 TYR A 76 15.556 20.536 -15.366 1.00 18.24 C ATOM 1199 CZ TYR A 76 14.515 21.342 -15.853 1.00 19.20 C ATOM 1200 OH TYR A 76 14.606 21.884 -17.100 1.00 20.61 O ATOM 1201 OXT TYR A 76 14.211 22.795 -11.184 1.00 18.65 O ATOM 0 H TYR A 76 14.109 18.935 -9.581 1.00 14.90 H new ATOM 0 HA TYR A 76 15.747 20.840 -10.998 1.00 15.92 H new ATOM 0 HB2 TYR A 76 14.812 18.678 -11.880 1.00 15.74 H new ATOM 0 HB3 TYR A 76 13.198 19.337 -11.704 1.00 15.74 H new ATOM 0 HD1 TYR A 76 12.420 21.203 -13.164 1.00 17.75 H new ATOM 0 HD2 TYR A 76 16.279 19.370 -13.700 1.00 17.00 H new ATOM 0 HE1 TYR A 76 12.571 22.187 -15.442 1.00 18.96 H new ATOM 0 HE2 TYR A 76 16.423 20.345 -15.981 1.00 18.24 H new ATOM 0 HH TYR A 76 15.457 21.623 -17.509 1.00 20.61 H new TER 1211 TYR A 76