USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 627 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 55 THR OG1 : rot 118:sc= -0.0414 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.0291 USER MOD Set 2.1: A 22 THR OG1 : rot -72:sc= 0.148 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.141 X(o=0.29,f=0.75) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.13 (180deg=0.0624) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0556) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 36:sc= 0.27 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 148:sc= 0.571 (180deg=0.182) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0245) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.361 F(o=-1.5,f=-0.36) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 41 GLN : amide:sc= -0.783 X(o=-0.78,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.162 K(o=-0.16,f=-1.4!) USER MOD Single : A 59 TYR OH : rot 30:sc= -1.18 USER MOD Single : A 60 ASN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 66: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=-0.042) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.827 24.917 2.809 1.00 49.53 N ATOM 2 CA MET A 1 25.736 25.872 3.070 1.00 50.07 C ATOM 3 C MET A 1 26.344 27.150 3.697 1.00 50.51 C ATOM 4 O MET A 1 27.422 27.068 4.283 1.00 49.49 O ATOM 5 CB MET A 1 24.694 25.256 4.002 1.00 49.82 C ATOM 6 CG MET A 1 23.769 24.250 3.333 1.00 49.86 C ATOM 7 SD MET A 1 22.878 23.226 4.522 1.00 49.91 S ATOM 8 CE MET A 1 22.045 22.082 3.427 1.00 49.78 C ATOM 0 H1 MET A 1 27.021 24.882 1.788 1.00 49.53 H new ATOM 0 H2 MET A 1 27.683 25.222 3.314 1.00 49.53 H new ATOM 0 H3 MET A 1 26.548 23.972 3.141 1.00 49.53 H new ATOM 0 HA MET A 1 25.233 26.124 2.136 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.208 24.765 4.828 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.091 26.056 4.432 1.00 49.82 H new ATOM 0 HG2 MET A 1 23.052 24.782 2.708 1.00 49.86 H new ATOM 0 HG3 MET A 1 24.353 23.609 2.673 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.451 21.382 4.015 1.00 49.78 H new ATOM 0 HE2 MET A 1 21.391 22.635 2.752 1.00 49.78 H new ATOM 0 HE3 MET A 1 22.784 21.531 2.846 1.00 49.78 H new ATOM 18 N GLN A 2 25.621 28.219 3.536 1.00 49.53 N ATOM 19 CA GLN A 2 26.088 29.508 4.133 1.00 50.07 C ATOM 20 C GLN A 2 25.409 29.623 5.490 1.00 50.51 C ATOM 21 O GLN A 2 24.231 29.221 5.700 1.00 49.49 O ATOM 22 CB GLN A 2 25.718 30.697 3.243 1.00 49.82 C ATOM 23 CG GLN A 2 26.237 30.594 1.818 1.00 49.82 C ATOM 24 CD GLN A 2 26.056 31.885 1.042 1.00 50.55 C ATOM 25 OE1 GLN A 2 25.578 32.887 1.579 1.00 49.45 O ATOM 26 NE2 GLN A 2 26.435 31.866 -0.231 1.00 49.38 N ATOM 0 H GLN A 2 24.739 28.263 3.026 1.00 49.53 H new ATOM 0 HA GLN A 2 27.174 29.518 4.230 1.00 50.07 H new ATOM 0 HB2 GLN A 2 24.633 30.793 3.216 1.00 49.82 H new ATOM 0 HB3 GLN A 2 26.107 31.609 3.695 1.00 49.82 H new ATOM 0 HG2 GLN A 2 27.294 30.330 1.837 1.00 49.82 H new ATOM 0 HG3 GLN A 2 25.717 29.787 1.302 1.00 49.82 H new ATOM 0 HE21 GLN A 2 26.826 31.014 -0.634 1.00 49.38 H new ATOM 0 HE22 GLN A 2 26.335 32.703 -0.805 1.00 49.38 H new ATOM 35 N ILE A 3 26.165 30.122 6.456 1.00 49.53 N ATOM 36 CA ILE A 3 25.595 30.425 7.782 1.00 50.07 C ATOM 37 C ILE A 3 25.905 31.902 8.168 1.00 50.51 C ATOM 38 O ILE A 3 26.521 32.553 7.341 1.00 49.49 O ATOM 39 CB ILE A 3 26.150 29.486 8.869 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.670 29.634 8.976 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.772 28.044 8.570 1.00 49.73 C ATOM 42 CD1 ILE A 3 28.250 29.065 10.251 1.00 49.73 C ATOM 0 H ILE A 3 27.160 30.327 6.361 1.00 49.53 H new ATOM 0 HA ILE A 3 24.517 30.274 7.720 1.00 50.07 H new ATOM 0 HB ILE A 3 25.709 29.764 9.826 1.00 49.91 H new ATOM 0 HG12 ILE A 3 28.135 29.139 8.124 1.00 49.82 H new ATOM 0 HG13 ILE A 3 27.928 30.691 8.910 1.00 49.82 H new ATOM 0 HG21 ILE A 3 26.172 27.394 9.348 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.686 27.951 8.542 1.00 49.73 H new ATOM 0 HG23 ILE A 3 26.186 27.752 7.605 1.00 49.73 H new ATOM 0 HD11 ILE A 3 29.331 29.207 10.254 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.814 29.577 11.109 1.00 49.73 H new ATOM 0 HD13 ILE A 3 28.024 28.000 10.310 1.00 49.73 H new ATOM 54 N PHE A 4 25.440 32.245 9.346 1.00 49.53 N ATOM 55 CA PHE A 4 25.701 33.659 9.812 1.00 50.07 C ATOM 56 C PHE A 4 26.277 33.758 11.197 1.00 50.51 C ATOM 57 O PHE A 4 25.468 33.679 12.132 1.00 49.49 O ATOM 58 CB PHE A 4 24.413 34.480 9.734 1.00 49.82 C ATOM 59 CG PHE A 4 24.013 34.848 8.333 1.00 50.00 C ATOM 60 CD1 PHE A 4 24.700 35.831 7.636 1.00 49.88 C ATOM 61 CD2 PHE A 4 22.950 34.213 7.710 1.00 49.88 C ATOM 62 CE1 PHE A 4 24.333 36.173 6.348 1.00 49.88 C ATOM 63 CE2 PHE A 4 22.581 34.551 6.421 1.00 49.88 C ATOM 64 CZ PHE A 4 23.273 35.531 5.741 1.00 49.88 C ATOM 0 H PHE A 4 24.915 31.646 9.984 1.00 49.53 H new ATOM 0 HA PHE A 4 26.459 34.058 9.138 1.00 50.07 H new ATOM 0 HB2 PHE A 4 23.604 33.914 10.196 1.00 49.82 H new ATOM 0 HB3 PHE A 4 24.538 35.392 10.318 1.00 49.82 H new ATOM 0 HD1 PHE A 4 25.532 36.335 8.105 1.00 49.88 H new ATOM 0 HD2 PHE A 4 22.404 33.445 8.238 1.00 49.88 H new ATOM 0 HE1 PHE A 4 24.875 36.942 5.817 1.00 49.88 H new ATOM 0 HE2 PHE A 4 21.751 34.048 5.947 1.00 49.88 H new ATOM 0 HZ PHE A 4 22.986 35.796 4.734 1.00 49.88 H new ATOM 74 N VAL A 5 27.575 33.975 11.381 1.00 49.53 N ATOM 75 CA VAL A 5 28.143 34.164 12.701 1.00 50.07 C ATOM 76 C VAL A 5 28.066 35.655 13.108 1.00 50.51 C ATOM 77 O VAL A 5 28.578 36.418 12.282 1.00 49.49 O ATOM 78 CB VAL A 5 29.610 33.696 12.761 1.00 49.91 C ATOM 79 CG1 VAL A 5 30.144 33.803 14.182 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.735 32.269 12.252 1.00 49.73 C ATOM 0 H VAL A 5 28.255 34.024 10.622 1.00 49.53 H new ATOM 0 HA VAL A 5 27.560 33.560 13.396 1.00 50.07 H new ATOM 0 HB VAL A 5 30.206 34.344 12.118 1.00 49.91 H new ATOM 0 HG11 VAL A 5 31.181 33.469 14.207 1.00 49.73 H new ATOM 0 HG12 VAL A 5 30.089 34.840 14.514 1.00 49.73 H new ATOM 0 HG13 VAL A 5 29.545 33.177 14.844 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.778 31.955 12.302 1.00 49.73 H new ATOM 0 HG22 VAL A 5 29.127 31.608 12.870 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.390 32.220 11.219 1.00 49.73 H new ATOM 90 N LYS A 6 27.457 35.934 14.209 1.00 49.53 N ATOM 91 CA LYS A 6 27.302 37.363 14.652 1.00 50.07 C ATOM 92 C LYS A 6 28.007 37.632 15.953 1.00 50.51 C ATOM 93 O LYS A 6 27.665 37.026 16.995 1.00 49.49 O ATOM 94 CB LYS A 6 25.821 37.723 14.777 1.00 49.82 C ATOM 95 CG LYS A 6 25.550 39.206 14.993 1.00 49.82 C ATOM 96 CD LYS A 6 24.081 39.537 14.775 1.00 49.82 C ATOM 97 CE LYS A 6 23.796 41.004 15.057 1.00 50.21 C ATOM 98 NZ LYS A 6 24.456 41.900 14.068 1.00 49.70 N ATOM 0 H LYS A 6 27.051 35.241 14.838 1.00 49.53 H new ATOM 0 HA LYS A 6 27.766 37.989 13.890 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.303 37.399 13.874 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.392 37.163 15.608 1.00 49.82 H new ATOM 0 HG2 LYS A 6 25.842 39.488 16.005 1.00 49.82 H new ATOM 0 HG3 LYS A 6 26.163 39.793 14.309 1.00 49.82 H new ATOM 0 HD2 LYS A 6 23.802 39.301 13.748 1.00 49.82 H new ATOM 0 HD3 LYS A 6 23.466 38.914 15.424 1.00 49.82 H new ATOM 0 HE2 LYS A 6 22.720 41.174 15.039 1.00 50.21 H new ATOM 0 HE3 LYS A 6 24.141 41.254 16.060 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 24.142 42.879 14.223 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 25.488 41.845 14.184 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 24.199 41.603 13.105 1.00 49.70 H new ATOM 112 N THR A 7 29.002 38.547 15.939 1.00 49.53 N ATOM 113 CA THR A 7 29.735 38.861 17.175 1.00 50.07 C ATOM 114 C THR A 7 29.391 40.182 17.868 1.00 50.51 C ATOM 115 O THR A 7 28.767 41.027 17.220 1.00 49.49 O ATOM 116 CB THR A 7 31.254 38.840 16.924 1.00 50.14 C ATOM 117 OG1 THR A 7 31.946 38.736 18.175 1.00 49.34 O ATOM 118 CG2 THR A 7 31.694 40.107 16.209 1.00 49.73 C ATOM 0 H THR A 7 29.305 39.063 15.113 1.00 49.53 H new ATOM 0 HA THR A 7 29.409 38.075 17.856 1.00 50.07 H new ATOM 0 HB THR A 7 31.492 37.981 16.297 1.00 50.14 H new ATOM 0 HG1 THR A 7 32.913 38.721 18.014 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.770 40.074 16.040 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.179 40.182 15.252 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.449 40.974 16.822 1.00 49.73 H new ATOM 126 N LEU A 8 29.836 40.372 19.091 1.00 49.53 N ATOM 127 CA LEU A 8 29.508 41.605 19.842 1.00 50.07 C ATOM 128 C LEU A 8 30.146 42.880 19.328 1.00 50.51 C ATOM 129 O LEU A 8 29.660 43.982 19.648 1.00 49.49 O ATOM 130 CB LEU A 8 29.869 41.414 21.320 1.00 49.82 C ATOM 131 CG LEU A 8 28.974 40.432 22.088 1.00 49.91 C ATOM 132 CD1 LEU A 8 29.494 40.253 23.509 1.00 49.73 C ATOM 133 CD2 LEU A 8 27.543 40.948 22.098 1.00 49.73 C ATOM 0 H LEU A 8 30.421 39.708 19.598 1.00 49.53 H new ATOM 0 HA LEU A 8 28.437 41.747 19.699 1.00 50.07 H new ATOM 0 HB2 LEU A 8 30.900 41.067 21.384 1.00 49.82 H new ATOM 0 HB3 LEU A 8 29.827 42.384 21.816 1.00 49.82 H new ATOM 0 HG LEU A 8 28.992 39.461 21.593 1.00 49.91 H new ATOM 0 HD11 LEU A 8 28.852 39.554 24.046 1.00 49.73 H new ATOM 0 HD12 LEU A 8 30.511 39.861 23.478 1.00 49.73 H new ATOM 0 HD13 LEU A 8 29.492 41.215 24.021 1.00 49.73 H new ATOM 0 HD21 LEU A 8 26.908 40.250 22.644 1.00 49.73 H new ATOM 0 HD22 LEU A 8 27.511 41.923 22.584 1.00 49.73 H new ATOM 0 HD23 LEU A 8 27.183 41.041 21.074 1.00 49.73 H new ATOM 145 N THR A 9 31.207 42.763 18.507 1.00 49.53 N ATOM 146 CA THR A 9 31.803 44.054 18.022 1.00 50.07 C ATOM 147 C THR A 9 31.127 44.478 16.755 1.00 50.51 C ATOM 148 O THR A 9 31.517 45.465 16.103 1.00 49.49 O ATOM 149 CB THR A 9 33.317 43.926 17.776 1.00 50.14 C ATOM 150 OG1 THR A 9 33.554 43.013 16.696 1.00 49.34 O ATOM 151 CG2 THR A 9 34.021 43.420 19.026 1.00 49.73 C ATOM 0 H THR A 9 31.642 41.898 18.185 1.00 49.53 H new ATOM 0 HA THR A 9 31.649 44.803 18.798 1.00 50.07 H new ATOM 0 HB THR A 9 33.712 44.910 17.522 1.00 50.14 H new ATOM 0 HG1 THR A 9 34.518 42.934 16.540 1.00 49.34 H new ATOM 0 HG21 THR A 9 35.090 43.336 18.833 1.00 49.73 H new ATOM 0 HG22 THR A 9 33.854 44.119 19.846 1.00 49.73 H new ATOM 0 HG23 THR A 9 33.623 42.442 19.297 1.00 49.73 H new ATOM 159 N GLY A 10 30.162 43.740 16.303 1.00 49.53 N ATOM 160 CA GLY A 10 29.421 44.030 15.097 1.00 49.98 C ATOM 161 C GLY A 10 30.010 43.554 13.802 1.00 50.51 C ATOM 162 O GLY A 10 29.386 43.707 12.729 1.00 49.49 O ATOM 0 H GLY A 10 29.852 42.889 16.772 1.00 49.53 H new ATOM 0 HA2 GLY A 10 28.427 43.593 15.197 1.00 49.98 H new ATOM 0 HA3 GLY A 10 29.290 45.110 15.032 1.00 49.98 H new ATOM 166 N LYS A 11 31.190 42.992 13.874 1.00 49.53 N ATOM 167 CA LYS A 11 31.839 42.387 12.720 1.00 50.07 C ATOM 168 C LYS A 11 31.049 41.130 12.289 1.00 50.51 C ATOM 169 O LYS A 11 31.134 40.146 13.017 1.00 49.49 O ATOM 170 CB LYS A 11 33.290 42.023 13.042 1.00 49.82 C ATOM 171 CG LYS A 11 34.180 43.215 13.368 1.00 49.82 C ATOM 172 CD LYS A 11 34.618 43.940 12.105 1.00 49.82 C ATOM 173 CE LYS A 11 35.545 45.104 12.427 1.00 50.21 C ATOM 174 NZ LYS A 11 35.937 45.857 11.205 1.00 49.70 N ATOM 0 H LYS A 11 31.736 42.937 14.734 1.00 49.53 H new ATOM 0 HA LYS A 11 31.849 43.106 11.901 1.00 50.07 H new ATOM 0 HB2 LYS A 11 33.300 41.335 13.888 1.00 49.82 H new ATOM 0 HB3 LYS A 11 33.715 41.489 12.192 1.00 49.82 H new ATOM 0 HG2 LYS A 11 33.643 43.905 14.018 1.00 49.82 H new ATOM 0 HG3 LYS A 11 35.058 42.876 13.918 1.00 49.82 H new ATOM 0 HD2 LYS A 11 35.126 43.241 11.440 1.00 49.82 H new ATOM 0 HD3 LYS A 11 33.741 44.308 11.572 1.00 49.82 H new ATOM 0 HE2 LYS A 11 35.051 45.779 13.126 1.00 50.21 H new ATOM 0 HE3 LYS A 11 36.439 44.729 12.924 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 36.568 46.641 11.468 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 36.431 45.220 10.548 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 35.086 46.237 10.744 1.00 49.70 H new ATOM 188 N THR A 12 30.390 41.212 11.149 1.00 49.53 N ATOM 189 CA THR A 12 29.697 40.002 10.667 1.00 50.07 C ATOM 190 C THR A 12 30.600 39.002 9.946 1.00 50.51 C ATOM 191 O THR A 12 31.298 39.454 9.036 1.00 49.49 O ATOM 192 CB THR A 12 28.530 40.368 9.732 1.00 50.14 C ATOM 193 OG1 THR A 12 29.013 41.189 8.660 1.00 49.34 O ATOM 194 CG2 THR A 12 27.451 41.122 10.496 1.00 49.73 C ATOM 0 H THR A 12 30.312 42.042 10.561 1.00 49.53 H new ATOM 0 HA THR A 12 29.333 39.516 11.572 1.00 50.07 H new ATOM 0 HB THR A 12 28.103 39.449 9.331 1.00 50.14 H new ATOM 0 HG1 THR A 12 29.914 40.898 8.405 1.00 49.34 H new ATOM 0 HG21 THR A 12 26.634 41.373 9.819 1.00 49.73 H new ATOM 0 HG22 THR A 12 27.073 40.497 11.305 1.00 49.73 H new ATOM 0 HG23 THR A 12 27.872 42.038 10.912 1.00 49.73 H new ATOM 202 N ILE A 13 30.462 37.725 10.302 1.00 49.53 N ATOM 203 CA ILE A 13 31.348 36.765 9.581 1.00 50.07 C ATOM 204 C ILE A 13 30.701 35.685 8.757 1.00 50.51 C ATOM 205 O ILE A 13 29.577 35.250 9.077 1.00 49.49 O ATOM 206 CB ILE A 13 32.317 36.086 10.567 1.00 49.91 C ATOM 207 CG1 ILE A 13 33.276 37.116 11.167 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.089 34.975 9.873 1.00 49.73 C ATOM 209 CD1 ILE A 13 34.138 37.818 10.142 1.00 49.73 C ATOM 0 H ILE A 13 29.826 37.344 11.002 1.00 49.53 H new ATOM 0 HA ILE A 13 31.844 37.412 8.858 1.00 50.07 H new ATOM 0 HB ILE A 13 31.736 35.645 11.377 1.00 49.91 H new ATOM 0 HG12 ILE A 13 32.698 37.861 11.714 1.00 49.82 H new ATOM 0 HG13 ILE A 13 33.921 36.619 11.891 1.00 49.82 H new ATOM 0 HG21 ILE A 13 33.769 34.506 10.584 1.00 49.73 H new ATOM 0 HG22 ILE A 13 32.391 34.230 9.492 1.00 49.73 H new ATOM 0 HG23 ILE A 13 33.661 35.392 9.045 1.00 49.73 H new ATOM 0 HD11 ILE A 13 34.791 38.532 10.644 1.00 49.73 H new ATOM 0 HD12 ILE A 13 34.744 37.083 9.612 1.00 49.73 H new ATOM 0 HD13 ILE A 13 33.502 38.345 9.431 1.00 49.73 H new ATOM 221 N THR A 14 31.223 35.411 7.583 1.00 49.53 N ATOM 222 CA THR A 14 30.595 34.308 6.797 1.00 50.07 C ATOM 223 C THR A 14 31.465 33.078 6.782 1.00 50.51 C ATOM 224 O THR A 14 32.675 33.162 6.444 1.00 49.49 O ATOM 225 CB THR A 14 30.311 34.740 5.346 1.00 50.14 C ATOM 226 OG1 THR A 14 29.522 35.936 5.347 1.00 49.34 O ATOM 227 CG2 THR A 14 29.565 33.645 4.600 1.00 49.73 C ATOM 0 H THR A 14 32.020 35.880 7.153 1.00 49.53 H new ATOM 0 HA THR A 14 29.652 34.073 7.290 1.00 50.07 H new ATOM 0 HB THR A 14 31.261 34.924 4.845 1.00 50.14 H new ATOM 0 HG1 THR A 14 29.343 36.211 4.423 1.00 49.34 H new ATOM 0 HG21 THR A 14 29.373 33.968 3.577 1.00 49.73 H new ATOM 0 HG22 THR A 14 30.169 32.737 4.587 1.00 49.73 H new ATOM 0 HG23 THR A 14 28.618 33.444 5.101 1.00 49.73 H new ATOM 235 N LEU A 15 30.917 31.914 7.093 1.00 49.53 N ATOM 236 CA LEU A 15 31.678 30.683 7.120 1.00 50.07 C ATOM 237 C LEU A 15 31.244 29.641 6.084 1.00 50.51 C ATOM 238 O LEU A 15 30.070 29.695 5.743 1.00 49.49 O ATOM 239 CB LEU A 15 31.618 30.071 8.525 1.00 49.82 C ATOM 240 CG LEU A 15 32.387 28.755 8.697 1.00 49.91 C ATOM 241 CD1 LEU A 15 33.884 29.006 8.585 1.00 49.73 C ATOM 242 CD2 LEU A 15 32.043 28.137 10.044 1.00 49.73 C ATOM 0 H LEU A 15 29.932 31.800 7.333 1.00 49.53 H new ATOM 0 HA LEU A 15 32.699 30.958 6.854 1.00 50.07 H new ATOM 0 HB2 LEU A 15 32.009 30.797 9.237 1.00 49.82 H new ATOM 0 HB3 LEU A 15 30.573 29.900 8.785 1.00 49.82 H new ATOM 0 HG LEU A 15 32.098 28.060 7.908 1.00 49.91 H new ATOM 0 HD11 LEU A 15 34.421 28.065 8.709 1.00 49.73 H new ATOM 0 HD12 LEU A 15 34.110 29.427 7.605 1.00 49.73 H new ATOM 0 HD13 LEU A 15 34.195 29.706 9.361 1.00 49.73 H new ATOM 0 HD21 LEU A 15 32.590 27.202 10.166 1.00 49.73 H new ATOM 0 HD22 LEU A 15 32.320 28.826 10.842 1.00 49.73 H new ATOM 0 HD23 LEU A 15 30.972 27.940 10.091 1.00 49.73 H new ATOM 254 N GLU A 16 32.187 28.819 5.688 1.00 49.53 N ATOM 255 CA GLU A 16 31.780 27.696 4.781 1.00 50.07 C ATOM 256 C GLU A 16 31.947 26.315 5.379 1.00 50.51 C ATOM 257 O GLU A 16 33.080 25.884 5.583 1.00 49.49 O ATOM 258 CB GLU A 16 32.559 27.778 3.466 1.00 49.82 C ATOM 259 CG GLU A 16 31.947 26.983 2.322 1.00 49.72 C ATOM 260 CD GLU A 16 32.607 27.312 1.013 1.00 50.62 C ATOM 261 OE1 GLU A 16 32.590 28.457 0.631 1.00 49.24 O ATOM 262 OE2 GLU A 16 33.228 26.442 0.448 1.00 49.24 O ATOM 0 H GLU A 16 33.175 28.869 5.937 1.00 49.53 H new ATOM 0 HA GLU A 16 30.711 27.828 4.612 1.00 50.07 H new ATOM 0 HB2 GLU A 16 32.634 28.823 3.167 1.00 49.82 H new ATOM 0 HB3 GLU A 16 33.575 27.422 3.637 1.00 49.82 H new ATOM 0 HG2 GLU A 16 32.046 25.916 2.524 1.00 49.72 H new ATOM 0 HG3 GLU A 16 30.880 27.197 2.258 1.00 49.72 H new ATOM 269 N VAL A 17 30.793 25.748 5.695 1.00 49.53 N ATOM 270 CA VAL A 17 30.724 24.435 6.327 1.00 50.07 C ATOM 271 C VAL A 17 29.849 23.352 5.676 1.00 50.51 C ATOM 272 O VAL A 17 28.844 23.642 4.988 1.00 49.49 O ATOM 273 CB VAL A 17 30.281 24.571 7.795 1.00 49.91 C ATOM 274 CG1 VAL A 17 31.354 25.277 8.612 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.962 25.324 7.887 1.00 49.73 C ATOM 0 H VAL A 17 29.884 26.178 5.524 1.00 49.53 H new ATOM 0 HA VAL A 17 31.746 24.077 6.205 1.00 50.07 H new ATOM 0 HB VAL A 17 30.136 23.571 8.204 1.00 49.91 H new ATOM 0 HG11 VAL A 17 31.024 25.365 9.647 1.00 49.73 H new ATOM 0 HG12 VAL A 17 32.279 24.701 8.573 1.00 49.73 H new ATOM 0 HG13 VAL A 17 31.528 26.272 8.201 1.00 49.73 H new ATOM 0 HG21 VAL A 17 28.665 25.410 8.932 1.00 49.73 H new ATOM 0 HG22 VAL A 17 29.081 26.320 7.460 1.00 49.73 H new ATOM 0 HG23 VAL A 17 28.194 24.782 7.335 1.00 49.73 H new ATOM 285 N GLU A 18 30.305 22.141 5.907 1.00 49.53 N ATOM 286 CA GLU A 18 29.606 20.921 5.502 1.00 50.07 C ATOM 287 C GLU A 18 28.572 20.345 6.459 1.00 50.51 C ATOM 288 O GLU A 18 28.651 20.528 7.663 1.00 49.49 O ATOM 289 CB GLU A 18 30.632 19.834 5.172 1.00 49.82 C ATOM 290 CG GLU A 18 31.617 20.211 4.076 1.00 49.72 C ATOM 291 CD GLU A 18 32.398 19.015 3.608 1.00 50.62 C ATOM 292 OE1 GLU A 18 32.192 17.949 4.140 1.00 49.24 O ATOM 293 OE2 GLU A 18 33.119 19.139 2.646 1.00 49.24 O ATOM 0 H GLU A 18 31.186 21.963 6.389 1.00 49.53 H new ATOM 0 HA GLU A 18 29.020 21.239 4.640 1.00 50.07 H new ATOM 0 HB2 GLU A 18 31.189 19.591 6.077 1.00 49.82 H new ATOM 0 HB3 GLU A 18 30.102 18.930 4.872 1.00 49.82 H new ATOM 0 HG2 GLU A 18 31.079 20.648 3.235 1.00 49.72 H new ATOM 0 HG3 GLU A 18 32.302 20.973 4.447 1.00 49.72 H new ATOM 300 N PRO A 19 27.586 19.650 5.924 1.00 49.71 N ATOM 301 CA PRO A 19 26.552 19.000 6.731 1.00 50.02 C ATOM 302 C PRO A 19 27.143 18.075 7.766 1.00 50.51 C ATOM 303 O PRO A 19 26.513 17.752 8.783 1.00 49.49 O ATOM 304 CB PRO A 19 25.720 18.214 5.693 1.00 49.82 C ATOM 305 CG PRO A 19 25.881 19.030 4.453 1.00 49.82 C ATOM 306 CD PRO A 19 27.383 19.408 4.473 1.00 50.00 C ATOM 0 HA PRO A 19 25.960 19.717 7.299 1.00 50.02 H new ATOM 0 HB2 PRO A 19 26.094 17.199 5.560 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.675 18.133 5.991 1.00 49.82 H new ATOM 0 HG2 PRO A 19 25.620 18.462 3.560 1.00 49.82 H new ATOM 0 HG3 PRO A 19 25.243 19.914 4.466 1.00 49.82 H new ATOM 0 HD2 PRO A 19 28.017 18.606 4.095 1.00 50.00 H new ATOM 0 HD3 PRO A 19 27.595 20.292 3.872 1.00 50.00 H new ATOM 314 N SER A 20 28.347 17.587 7.517 1.00 49.53 N ATOM 315 CA SER A 20 28.973 16.635 8.449 1.00 50.07 C ATOM 316 C SER A 20 30.120 17.167 9.277 1.00 50.51 C ATOM 317 O SER A 20 31.138 16.462 9.388 1.00 49.49 O ATOM 318 CB SER A 20 29.433 15.411 7.682 1.00 50.05 C ATOM 319 OG SER A 20 30.324 15.742 6.651 1.00 49.34 O ATOM 0 H SER A 20 28.909 17.821 6.698 1.00 49.53 H new ATOM 0 HA SER A 20 28.193 16.401 9.173 1.00 50.07 H new ATOM 0 HB2 SER A 20 29.914 14.713 8.367 1.00 50.05 H new ATOM 0 HB3 SER A 20 28.567 14.899 7.262 1.00 50.05 H new ATOM 0 HG SER A 20 30.599 14.927 6.182 1.00 49.34 H new ATOM 325 N ASP A 21 30.012 18.423 9.717 1.00 49.53 N ATOM 326 CA ASP A 21 31.144 18.967 10.513 1.00 50.07 C ATOM 327 C ASP A 21 30.765 19.020 11.970 1.00 50.51 C ATOM 328 O ASP A 21 29.586 19.232 12.317 1.00 49.49 O ATOM 329 CB ASP A 21 31.536 20.360 10.016 1.00 49.72 C ATOM 330 CG ASP A 21 31.991 20.404 8.563 1.00 50.62 C ATOM 331 OD1 ASP A 21 32.200 19.358 7.994 1.00 49.24 O ATOM 332 OD2 ASP A 21 31.975 21.466 7.987 1.00 49.24 O ATOM 0 H ASP A 21 29.224 19.051 9.560 1.00 49.53 H new ATOM 0 HA ASP A 21 32.004 18.308 10.391 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.684 21.029 10.138 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.337 20.746 10.647 1.00 49.72 H new ATOM 337 N THR A 22 31.755 18.847 12.830 1.00 49.53 N ATOM 338 CA THR A 22 31.568 18.960 14.257 1.00 50.07 C ATOM 339 C THR A 22 31.896 20.421 14.644 1.00 50.51 C ATOM 340 O THR A 22 32.567 21.119 13.878 1.00 49.49 O ATOM 341 CB THR A 22 32.479 17.995 15.040 1.00 50.14 C ATOM 342 OG1 THR A 22 33.844 18.413 14.911 1.00 49.34 O ATOM 343 CG2 THR A 22 32.334 16.577 14.510 1.00 49.73 C ATOM 0 H THR A 22 32.711 18.624 12.552 1.00 49.53 H new ATOM 0 HA THR A 22 30.541 18.696 14.510 1.00 50.07 H new ATOM 0 HB THR A 22 32.184 18.011 16.089 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.161 18.220 14.004 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.985 15.909 15.075 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.299 16.252 14.618 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.614 16.552 13.457 1.00 49.73 H new ATOM 351 N ILE A 23 31.367 20.785 15.813 1.00 49.53 N ATOM 352 CA ILE A 23 31.646 22.100 16.385 1.00 50.07 C ATOM 353 C ILE A 23 33.162 22.245 16.533 1.00 50.51 C ATOM 354 O ILE A 23 33.753 23.311 16.285 1.00 49.49 O ATOM 355 CB ILE A 23 30.972 22.288 17.757 1.00 49.91 C ATOM 356 CG1 ILE A 23 29.454 22.403 17.593 1.00 49.82 C ATOM 357 CG2 ILE A 23 31.530 23.514 18.460 1.00 49.73 C ATOM 358 CD1 ILE A 23 29.026 23.430 16.570 1.00 49.73 C ATOM 0 H ILE A 23 30.752 20.196 16.375 1.00 49.53 H new ATOM 0 HA ILE A 23 31.242 22.863 15.720 1.00 50.07 H new ATOM 0 HB ILE A 23 31.186 21.414 18.372 1.00 49.91 H new ATOM 0 HG12 ILE A 23 29.054 21.430 17.306 1.00 49.82 H new ATOM 0 HG13 ILE A 23 29.012 22.658 18.556 1.00 49.82 H new ATOM 0 HG21 ILE A 23 31.043 23.632 19.428 1.00 49.73 H new ATOM 0 HG22 ILE A 23 32.603 23.392 18.607 1.00 49.73 H new ATOM 0 HG23 ILE A 23 31.345 24.399 17.851 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.938 23.453 16.511 1.00 49.73 H new ATOM 0 HD12 ILE A 23 29.394 24.413 16.865 1.00 49.73 H new ATOM 0 HD13 ILE A 23 29.437 23.166 15.596 1.00 49.73 H new ATOM 370 N GLU A 24 33.811 21.185 16.953 1.00 49.53 N ATOM 371 CA GLU A 24 35.308 21.208 17.066 1.00 50.07 C ATOM 372 C GLU A 24 36.020 21.616 15.800 1.00 50.51 C ATOM 373 O GLU A 24 37.245 21.885 15.801 1.00 49.49 O ATOM 374 CB GLU A 24 35.820 19.840 17.523 1.00 49.82 C ATOM 375 CG GLU A 24 35.330 19.412 18.898 1.00 49.72 C ATOM 376 CD GLU A 24 35.843 18.047 19.261 1.00 50.62 C ATOM 377 OE1 GLU A 24 37.033 17.846 19.203 1.00 49.24 O ATOM 378 OE2 GLU A 24 35.062 17.238 19.703 1.00 49.24 O ATOM 0 H GLU A 24 33.371 20.305 17.223 1.00 49.53 H new ATOM 0 HA GLU A 24 35.537 21.975 17.806 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.516 19.090 16.793 1.00 49.82 H new ATOM 0 HB3 GLU A 24 36.910 19.857 17.528 1.00 49.82 H new ATOM 0 HG2 GLU A 24 35.657 20.136 19.644 1.00 49.72 H new ATOM 0 HG3 GLU A 24 34.240 19.409 18.913 1.00 49.72 H new ATOM 385 N ASN A 25 35.296 21.633 14.693 1.00 49.53 N ATOM 386 CA ASN A 25 35.818 21.995 13.368 1.00 50.07 C ATOM 387 C ASN A 25 35.200 23.248 12.749 1.00 50.51 C ATOM 388 O ASN A 25 35.759 23.835 11.801 1.00 49.49 O ATOM 389 CB ASN A 25 35.683 20.834 12.400 1.00 49.82 C ATOM 390 CG ASN A 25 36.595 19.679 12.708 1.00 50.55 C ATOM 391 OD1 ASN A 25 36.158 18.630 13.195 1.00 49.45 O ATOM 392 ND2 ASN A 25 37.869 19.897 12.506 1.00 49.38 N ATOM 0 H ASN A 25 34.305 21.391 14.681 1.00 49.53 H new ATOM 0 HA ASN A 25 36.868 22.232 13.543 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.651 20.483 12.410 1.00 49.82 H new ATOM 0 HB3 ASN A 25 35.889 21.189 11.390 1.00 49.82 H new ATOM 0 HD21 ASN A 25 38.554 19.183 12.754 1.00 49.38 H new ATOM 0 HD22 ASN A 25 38.177 20.781 12.101 1.00 49.38 H new ATOM 399 N VAL A 26 34.040 23.600 13.283 1.00 49.53 N ATOM 400 CA VAL A 26 33.339 24.792 12.820 1.00 50.07 C ATOM 401 C VAL A 26 34.142 25.900 13.495 1.00 50.51 C ATOM 402 O VAL A 26 34.745 26.750 12.833 1.00 49.49 O ATOM 403 CB VAL A 26 31.867 24.838 13.270 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.286 26.226 13.051 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.050 23.795 12.523 1.00 49.73 C ATOM 0 H VAL A 26 33.568 23.087 14.027 1.00 49.53 H new ATOM 0 HA VAL A 26 33.286 24.855 11.733 1.00 50.07 H new ATOM 0 HB VAL A 26 31.825 24.611 14.335 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.245 26.240 13.375 1.00 49.73 H new ATOM 0 HG12 VAL A 26 31.855 26.954 13.629 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.340 26.480 11.992 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.012 23.841 12.853 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.099 23.993 11.452 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.452 22.803 12.728 1.00 49.73 H new ATOM 415 N LYS A 27 34.214 25.836 14.820 1.00 49.53 N ATOM 416 CA LYS A 27 34.955 26.849 15.585 1.00 50.07 C ATOM 417 C LYS A 27 36.404 26.937 15.137 1.00 50.51 C ATOM 418 O LYS A 27 37.047 27.993 15.362 1.00 49.49 O ATOM 419 CB LYS A 27 34.887 26.543 17.082 1.00 49.82 C ATOM 420 CG LYS A 27 33.550 26.874 17.732 1.00 49.82 C ATOM 421 CD LYS A 27 33.377 26.134 19.050 1.00 49.82 C ATOM 422 CE LYS A 27 34.320 26.670 20.116 1.00 50.21 C ATOM 423 NZ LYS A 27 34.126 25.989 21.424 1.00 49.70 N ATOM 0 H LYS A 27 33.778 25.108 15.386 1.00 49.53 H new ATOM 0 HA LYS A 27 34.485 27.814 15.395 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.099 25.485 17.234 1.00 49.82 H new ATOM 0 HB3 LYS A 27 35.673 27.102 17.591 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.483 27.948 17.904 1.00 49.82 H new ATOM 0 HG3 LYS A 27 32.738 26.609 17.054 1.00 49.82 H new ATOM 0 HD2 LYS A 27 32.346 26.232 19.391 1.00 49.82 H new ATOM 0 HD3 LYS A 27 33.563 25.071 18.899 1.00 49.82 H new ATOM 0 HE2 LYS A 27 35.351 26.538 19.788 1.00 50.21 H new ATOM 0 HE3 LYS A 27 34.159 27.741 20.237 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 35.034 25.943 21.929 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 33.439 26.522 21.994 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 33.770 25.025 21.264 1.00 49.70 H new ATOM 437 N ALA A 28 36.941 25.877 14.568 1.00 49.53 N ATOM 438 CA ALA A 28 38.311 25.883 14.040 1.00 50.07 C ATOM 439 C ALA A 28 38.538 26.517 12.678 1.00 50.51 C ATOM 440 O ALA A 28 39.723 26.687 12.232 1.00 49.49 O ATOM 441 CB ALA A 28 38.859 24.444 14.027 1.00 49.73 C ATOM 0 H ALA A 28 36.453 24.988 14.454 1.00 49.53 H new ATOM 0 HA ALA A 28 38.849 26.538 14.725 1.00 50.07 H new ATOM 0 HB1 ALA A 28 39.876 24.446 13.635 1.00 49.73 H new ATOM 0 HB2 ALA A 28 38.862 24.046 15.042 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.228 23.820 13.394 1.00 49.73 H new ATOM 447 N LYS A 29 37.492 26.914 11.969 1.00 49.53 N ATOM 448 CA LYS A 29 37.649 27.614 10.679 1.00 50.07 C ATOM 449 C LYS A 29 37.650 29.097 11.093 1.00 50.51 C ATOM 450 O LYS A 29 38.326 29.971 10.496 1.00 49.49 O ATOM 451 CB LYS A 29 36.498 27.298 9.721 1.00 49.82 C ATOM 452 CG LYS A 29 36.506 25.877 9.174 1.00 49.82 C ATOM 453 CD LYS A 29 35.376 25.661 8.180 1.00 49.82 C ATOM 454 CE LYS A 29 35.428 24.265 7.576 1.00 50.21 C ATOM 455 NZ LYS A 29 35.107 23.212 8.578 1.00 49.70 N ATOM 0 H LYS A 29 36.523 26.769 12.254 1.00 49.53 H new ATOM 0 HA LYS A 29 38.548 27.318 10.138 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.554 27.470 10.238 1.00 49.82 H new ATOM 0 HB3 LYS A 29 36.535 27.996 8.885 1.00 49.82 H new ATOM 0 HG2 LYS A 29 37.462 25.677 8.690 1.00 49.82 H new ATOM 0 HG3 LYS A 29 36.410 25.168 9.996 1.00 49.82 H new ATOM 0 HD2 LYS A 29 34.418 25.808 8.678 1.00 49.82 H new ATOM 0 HD3 LYS A 29 35.440 26.405 7.386 1.00 49.82 H new ATOM 0 HE2 LYS A 29 34.724 24.203 6.746 1.00 50.21 H new ATOM 0 HE3 LYS A 29 36.421 24.084 7.166 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 35.054 22.287 8.105 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 35.850 23.187 9.305 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 34.193 23.425 9.025 1.00 49.70 H new ATOM 469 N ILE A 30 36.935 29.392 12.179 1.00 49.53 N ATOM 470 CA ILE A 30 36.878 30.786 12.655 1.00 50.07 C ATOM 471 C ILE A 30 38.333 31.081 13.043 1.00 50.51 C ATOM 472 O ILE A 30 38.842 32.186 12.744 1.00 49.49 O ATOM 473 CB ILE A 30 35.950 30.962 13.871 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.489 30.767 13.460 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.152 32.331 14.500 1.00 49.73 C ATOM 476 CD1 ILE A 30 34.004 31.768 12.434 1.00 49.73 C ATOM 0 H ILE A 30 36.404 28.719 12.732 1.00 49.53 H new ATOM 0 HA ILE A 30 36.474 31.458 11.898 1.00 50.07 H new ATOM 0 HB ILE A 30 36.202 30.204 14.613 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.365 29.761 13.059 1.00 49.82 H new ATOM 0 HG13 ILE A 30 33.859 30.836 14.347 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.488 32.439 15.358 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.187 32.432 14.827 1.00 49.73 H new ATOM 0 HG23 ILE A 30 35.926 33.105 13.767 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.960 31.566 12.193 1.00 49.73 H new ATOM 0 HD12 ILE A 30 34.094 32.776 12.838 1.00 49.73 H new ATOM 0 HD13 ILE A 30 34.608 31.684 11.530 1.00 49.73 H new ATOM 488 N GLN A 31 38.989 30.184 13.734 1.00 49.53 N ATOM 489 CA GLN A 31 40.412 30.468 14.100 1.00 50.07 C ATOM 490 C GLN A 31 41.175 30.854 12.823 1.00 50.51 C ATOM 491 O GLN A 31 41.922 31.851 12.693 1.00 49.49 O ATOM 492 CB GLN A 31 41.061 29.245 14.755 1.00 49.82 C ATOM 493 CG GLN A 31 42.558 29.382 14.981 1.00 49.82 C ATOM 494 CD GLN A 31 43.115 28.274 15.855 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.382 28.594 17.115 1.00 49.45 O flip ATOM 496 NE2 GLN A 31 43.299 27.140 15.403 1.00 49.38 N flip ATOM 0 H GLN A 31 38.615 29.290 14.054 1.00 49.53 H new ATOM 0 HA GLN A 31 40.446 31.286 14.819 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.575 29.059 15.713 1.00 49.82 H new ATOM 0 HB3 GLN A 31 40.877 28.371 14.130 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.070 29.374 14.019 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.766 30.346 15.445 1.00 49.82 H new ATOM 0 HE21 GLN A 31 43.080 26.938 14.428 1.00 49.38 H new ATOM 0 HE22 GLN A 31 43.670 26.405 16.005 1.00 49.38 H new ATOM 505 N ASP A 32 41.016 30.002 11.838 1.00 49.53 N ATOM 506 CA ASP A 32 41.668 30.238 10.529 1.00 50.07 C ATOM 507 C ASP A 32 41.335 31.557 9.867 1.00 50.51 C ATOM 508 O ASP A 32 41.975 32.018 8.893 1.00 49.49 O ATOM 509 CB ASP A 32 41.335 29.092 9.570 1.00 49.72 C ATOM 510 CG ASP A 32 42.142 27.822 9.802 1.00 50.62 C ATOM 511 OD1 ASP A 32 43.336 27.918 9.951 1.00 49.24 O ATOM 512 OD2 ASP A 32 41.543 26.788 9.986 1.00 49.24 O ATOM 0 H ASP A 32 40.457 29.150 11.894 1.00 49.53 H new ATOM 0 HA ASP A 32 42.735 30.282 10.748 1.00 50.07 H new ATOM 0 HB2 ASP A 32 40.275 28.856 9.660 1.00 49.72 H new ATOM 0 HB3 ASP A 32 41.500 29.431 8.547 1.00 49.72 H new ATOM 517 N LYS A 33 40.282 32.242 10.351 1.00 49.53 N ATOM 518 CA LYS A 33 39.910 33.486 9.625 1.00 50.07 C ATOM 519 C LYS A 33 40.049 34.686 10.494 1.00 50.51 C ATOM 520 O LYS A 33 40.794 35.630 10.058 1.00 49.49 O ATOM 521 CB LYS A 33 38.481 33.387 9.091 1.00 49.82 C ATOM 522 CG LYS A 33 38.286 32.342 8.002 1.00 49.82 C ATOM 523 CD LYS A 33 39.277 32.538 6.863 1.00 49.82 C ATOM 524 CE LYS A 33 38.876 33.704 5.974 1.00 50.21 C ATOM 525 NZ LYS A 33 39.803 33.869 4.821 1.00 49.70 N ATOM 0 H LYS A 33 39.716 31.995 11.163 1.00 49.53 H new ATOM 0 HA LYS A 33 40.597 33.596 8.786 1.00 50.07 H new ATOM 0 HB2 LYS A 33 37.812 33.159 9.920 1.00 49.82 H new ATOM 0 HB3 LYS A 33 38.184 34.360 8.700 1.00 49.82 H new ATOM 0 HG2 LYS A 33 38.408 31.345 8.426 1.00 49.82 H new ATOM 0 HG3 LYS A 33 37.268 32.402 7.616 1.00 49.82 H new ATOM 0 HD2 LYS A 33 40.272 32.715 7.271 1.00 49.82 H new ATOM 0 HD3 LYS A 33 39.334 31.627 6.267 1.00 49.82 H new ATOM 0 HE2 LYS A 33 37.862 33.547 5.605 1.00 50.21 H new ATOM 0 HE3 LYS A 33 38.862 34.621 6.563 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 39.494 34.674 4.240 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 40.766 34.044 5.172 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 39.797 33.004 4.244 1.00 49.70 H new ATOM 539 N GLU A 34 39.535 34.761 11.690 1.00 49.53 N ATOM 540 CA GLU A 34 39.643 35.899 12.574 1.00 50.07 C ATOM 541 C GLU A 34 40.797 35.738 13.530 1.00 50.51 C ATOM 542 O GLU A 34 41.097 36.667 14.288 1.00 49.49 O ATOM 543 CB GLU A 34 38.340 36.099 13.352 1.00 49.82 C ATOM 544 CG GLU A 34 37.183 36.626 12.516 1.00 49.72 C ATOM 545 CD GLU A 34 37.443 38.031 12.047 1.00 50.62 C ATOM 546 OE1 GLU A 34 37.848 38.839 12.848 1.00 49.24 O ATOM 547 OE2 GLU A 34 37.346 38.270 10.867 1.00 49.24 O ATOM 0 H GLU A 34 39.002 33.994 12.100 1.00 49.53 H new ATOM 0 HA GLU A 34 39.828 36.781 11.961 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.047 35.148 13.797 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.524 36.792 14.173 1.00 49.82 H new ATOM 0 HG2 GLU A 34 37.028 35.976 11.655 1.00 49.72 H new ATOM 0 HG3 GLU A 34 36.266 36.601 13.104 1.00 49.72 H new ATOM 554 N GLY A 35 41.413 34.567 13.556 1.00 49.53 N ATOM 555 CA GLY A 35 42.572 34.315 14.372 1.00 49.98 C ATOM 556 C GLY A 35 42.131 34.273 15.781 1.00 50.51 C ATOM 557 O GLY A 35 42.943 34.542 16.704 1.00 49.49 O ATOM 0 H GLY A 35 41.114 33.763 13.004 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.040 33.372 14.090 1.00 49.98 H new ATOM 0 HA3 GLY A 35 43.318 35.097 14.228 1.00 49.98 H new ATOM 561 N ILE A 36 40.876 33.865 16.035 1.00 49.53 N ATOM 562 CA ILE A 36 40.417 33.810 17.432 1.00 50.07 C ATOM 563 C ILE A 36 40.464 32.341 17.814 1.00 50.51 C ATOM 564 O ILE A 36 39.811 31.496 17.175 1.00 49.49 O ATOM 565 CB ILE A 36 38.987 34.355 17.602 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.902 35.798 17.096 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.556 34.273 19.059 1.00 49.73 C ATOM 568 CD1 ILE A 36 39.820 36.754 17.821 1.00 49.73 C ATOM 0 H ILE A 36 40.193 33.582 15.332 1.00 49.53 H new ATOM 0 HA ILE A 36 41.049 34.432 18.066 1.00 50.07 H new ATOM 0 HB ILE A 36 38.309 33.741 17.009 1.00 49.91 H new ATOM 0 HG12 ILE A 36 39.142 35.815 16.033 1.00 49.82 H new ATOM 0 HG13 ILE A 36 37.875 36.149 17.197 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.543 34.662 19.161 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.580 33.234 19.388 1.00 49.73 H new ATOM 0 HG23 ILE A 36 39.235 34.864 19.673 1.00 49.73 H new ATOM 0 HD11 ILE A 36 39.703 37.755 17.407 1.00 49.73 H new ATOM 0 HD12 ILE A 36 39.567 36.768 18.881 1.00 49.73 H new ATOM 0 HD13 ILE A 36 40.853 36.429 17.699 1.00 49.73 H new ATOM 580 N PRO A 37 41.209 32.014 18.865 1.00 49.71 N ATOM 581 CA PRO A 37 41.323 30.637 19.375 1.00 50.02 C ATOM 582 C PRO A 37 39.958 30.074 19.724 1.00 50.51 C ATOM 583 O PRO A 37 39.165 30.800 20.381 1.00 49.49 O ATOM 584 CB PRO A 37 42.146 30.881 20.676 1.00 49.82 C ATOM 585 CG PRO A 37 43.002 32.062 20.329 1.00 49.82 C ATOM 586 CD PRO A 37 42.007 32.997 19.656 1.00 50.00 C ATOM 0 HA PRO A 37 41.763 29.931 18.671 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.499 31.090 21.528 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.748 30.012 20.939 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.450 32.514 21.214 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.820 31.790 19.662 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.398 33.543 20.376 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.496 33.739 19.025 1.00 50.00 H new ATOM 594 N PRO A 38 39.673 28.843 19.378 1.00 49.71 N ATOM 595 CA PRO A 38 38.356 28.262 19.684 1.00 50.02 C ATOM 596 C PRO A 38 38.016 28.289 21.150 1.00 50.51 C ATOM 597 O PRO A 38 36.830 28.420 21.558 1.00 49.49 O ATOM 598 CB PRO A 38 38.425 26.869 19.067 1.00 49.82 C ATOM 599 CG PRO A 38 39.406 27.053 17.912 1.00 49.82 C ATOM 600 CD PRO A 38 40.505 27.902 18.587 1.00 50.00 C ATOM 0 HA PRO A 38 37.531 28.840 19.267 1.00 50.02 H new ATOM 0 HB2 PRO A 38 38.779 26.128 19.783 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.449 26.534 18.718 1.00 49.82 H new ATOM 0 HG2 PRO A 38 39.789 26.102 17.542 1.00 49.82 H new ATOM 0 HG3 PRO A 38 38.952 27.566 17.064 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.164 27.303 19.215 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.136 28.416 17.862 1.00 50.00 H new ATOM 608 N ASP A 39 38.996 28.175 22.013 1.00 49.53 N ATOM 609 CA ASP A 39 38.734 28.135 23.477 1.00 50.07 C ATOM 610 C ASP A 39 38.068 29.374 24.063 1.00 50.51 C ATOM 611 O ASP A 39 37.470 29.366 25.174 1.00 49.49 O ATOM 612 CB ASP A 39 40.038 27.861 24.230 1.00 49.72 C ATOM 613 CG ASP A 39 40.636 26.485 23.972 1.00 50.62 C ATOM 614 OD1 ASP A 39 39.885 25.560 23.772 1.00 49.24 O ATOM 615 OD2 ASP A 39 41.832 26.397 23.821 1.00 49.24 O ATOM 0 H ASP A 39 39.981 28.107 21.756 1.00 49.53 H new ATOM 0 HA ASP A 39 38.013 27.328 23.608 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.770 28.620 23.953 1.00 49.72 H new ATOM 0 HB3 ASP A 39 39.856 27.970 25.299 1.00 49.72 H new ATOM 620 N GLN A 40 38.057 30.457 23.302 1.00 49.53 N ATOM 621 CA GLN A 40 37.403 31.693 23.794 1.00 50.07 C ATOM 622 C GLN A 40 35.991 31.961 23.237 1.00 50.51 C ATOM 623 O GLN A 40 35.465 33.045 23.456 1.00 49.49 O ATOM 624 CB GLN A 40 38.291 32.904 23.495 1.00 49.82 C ATOM 625 CG GLN A 40 39.675 32.827 24.116 1.00 49.82 C ATOM 626 CD GLN A 40 40.547 34.009 23.733 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.116 34.905 23.003 1.00 49.45 O ATOM 628 NE2 GLN A 40 41.783 34.013 24.219 1.00 49.38 N ATOM 0 H GLN A 40 38.473 30.523 22.373 1.00 49.53 H new ATOM 0 HA GLN A 40 37.276 31.535 24.865 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.394 33.007 22.415 1.00 49.82 H new ATOM 0 HB3 GLN A 40 37.793 33.804 23.855 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.582 32.784 25.201 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.161 31.903 23.801 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.097 33.251 24.819 1.00 49.38 H new ATOM 0 HE22 GLN A 40 42.418 34.778 23.992 1.00 49.38 H new ATOM 637 N GLN A 41 35.381 30.980 22.610 1.00 49.53 N ATOM 638 CA GLN A 41 34.081 31.111 21.998 1.00 50.07 C ATOM 639 C GLN A 41 32.999 30.241 22.604 1.00 50.51 C ATOM 640 O GLN A 41 33.045 29.021 22.659 1.00 49.49 O ATOM 641 CB GLN A 41 34.178 30.814 20.499 1.00 49.82 C ATOM 642 CG GLN A 41 35.116 31.738 19.741 1.00 49.82 C ATOM 643 CD GLN A 41 35.134 31.448 18.252 1.00 50.55 C ATOM 644 OE1 GLN A 41 34.255 31.892 17.509 1.00 49.45 O ATOM 645 NE2 GLN A 41 36.136 30.698 17.808 1.00 49.38 N ATOM 0 H GLN A 41 35.785 30.049 22.510 1.00 49.53 H new ATOM 0 HA GLN A 41 33.781 32.142 22.184 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.512 29.785 20.365 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.183 30.886 20.061 1.00 49.82 H new ATOM 0 HG2 GLN A 41 34.813 32.772 19.903 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.125 31.635 20.141 1.00 49.82 H new ATOM 0 HE21 GLN A 41 36.841 30.352 18.459 1.00 49.38 H new ATOM 0 HE22 GLN A 41 36.200 30.468 16.816 1.00 49.38 H new ATOM 654 N ARG A 42 31.854 30.873 22.852 1.00 49.53 N ATOM 655 CA ARG A 42 30.632 30.126 23.286 1.00 50.07 C ATOM 656 C ARG A 42 29.618 30.348 22.185 1.00 50.51 C ATOM 657 O ARG A 42 29.410 31.575 21.824 1.00 49.49 O ATOM 658 CB ARG A 42 30.119 30.562 24.651 1.00 49.82 C ATOM 659 CG ARG A 42 30.941 30.068 25.830 1.00 49.82 C ATOM 660 CD ARG A 42 30.489 30.580 27.150 1.00 50.20 C ATOM 661 NE ARG A 42 31.340 30.203 28.267 1.00 49.30 N ATOM 662 CZ ARG A 42 31.270 29.027 28.920 1.00 50.64 C ATOM 663 NH1 ARG A 42 30.367 28.127 28.598 1.00 49.20 N ATOM 664 NH2 ARG A 42 32.117 28.811 29.910 1.00 49.20 N ATOM 0 H ARG A 42 31.727 31.882 22.768 1.00 49.53 H new ATOM 0 HA ARG A 42 30.849 29.067 23.423 1.00 50.07 H new ATOM 0 HB2 ARG A 42 30.087 31.651 24.680 1.00 49.82 H new ATOM 0 HB3 ARG A 42 29.094 30.209 24.768 1.00 49.82 H new ATOM 0 HG2 ARG A 42 30.912 28.979 25.847 1.00 49.82 H new ATOM 0 HG3 ARG A 42 31.981 30.357 25.679 1.00 49.82 H new ATOM 0 HD2 ARG A 42 30.433 31.668 27.104 1.00 50.20 H new ATOM 0 HD3 ARG A 42 29.479 30.216 27.340 1.00 50.20 H new ATOM 0 HE ARG A 42 32.040 30.877 28.578 1.00 49.30 H new ATOM 0 HH11 ARG A 42 29.706 28.315 27.844 1.00 49.20 H new ATOM 0 HH12 ARG A 42 30.327 27.241 29.102 1.00 49.20 H new ATOM 0 HH21 ARG A 42 32.800 29.525 30.162 1.00 49.20 H new ATOM 0 HH22 ARG A 42 32.088 27.930 30.423 1.00 49.20 H new ATOM 678 N LEU A 43 29.057 29.297 21.590 1.00 49.53 N ATOM 679 CA LEU A 43 28.098 29.473 20.470 1.00 50.07 C ATOM 680 C LEU A 43 26.722 29.173 21.053 1.00 50.51 C ATOM 681 O LEU A 43 26.595 28.212 21.823 1.00 49.49 O ATOM 682 CB LEU A 43 28.432 28.528 19.308 1.00 49.82 C ATOM 683 CG LEU A 43 29.814 28.733 18.676 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.153 27.558 17.768 1.00 49.73 C ATOM 685 CD2 LEU A 43 29.829 30.039 17.895 1.00 49.73 C ATOM 0 H LEU A 43 29.237 28.327 21.849 1.00 49.53 H new ATOM 0 HA LEU A 43 28.141 30.482 20.059 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.362 27.500 19.665 1.00 49.82 H new ATOM 0 HB3 LEU A 43 27.675 28.649 18.534 1.00 49.82 H new ATOM 0 HG LEU A 43 30.568 28.786 19.462 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.136 27.713 17.324 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.159 26.637 18.351 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.406 27.481 16.978 1.00 49.73 H new ATOM 0 HD21 LEU A 43 30.812 30.183 17.446 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.074 30.002 17.110 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.612 30.868 18.568 1.00 49.73 H new ATOM 697 N ILE A 44 25.762 30.039 20.745 1.00 49.53 N ATOM 698 CA ILE A 44 24.401 29.931 21.259 1.00 50.07 C ATOM 699 C ILE A 44 23.391 29.824 20.123 1.00 50.51 C ATOM 700 O ILE A 44 23.315 30.652 19.239 1.00 49.49 O ATOM 701 CB ILE A 44 24.036 31.134 22.147 1.00 49.91 C ATOM 702 CG1 ILE A 44 24.974 31.210 23.355 1.00 49.82 C ATOM 703 CG2 ILE A 44 22.587 31.041 22.600 1.00 49.73 C ATOM 704 CD1 ILE A 44 24.830 32.482 24.160 1.00 49.73 C ATOM 0 H ILE A 44 25.907 30.839 20.129 1.00 49.53 H new ATOM 0 HA ILE A 44 24.363 29.023 21.861 1.00 50.07 H new ATOM 0 HB ILE A 44 24.154 32.046 21.561 1.00 49.91 H new ATOM 0 HG12 ILE A 44 24.784 30.356 24.005 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.004 31.124 23.009 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.346 31.900 23.227 1.00 49.73 H new ATOM 0 HG22 ILE A 44 21.933 31.033 21.728 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.442 30.123 23.170 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.526 32.463 24.998 1.00 49.73 H new ATOM 0 HD12 ILE A 44 25.049 33.341 23.526 1.00 49.73 H new ATOM 0 HD13 ILE A 44 23.810 32.561 24.537 1.00 49.73 H new ATOM 716 N PHE A 45 22.598 28.720 20.176 1.00 49.53 N ATOM 717 CA PHE A 45 21.534 28.488 19.185 1.00 50.07 C ATOM 718 C PHE A 45 20.227 28.043 19.865 1.00 50.51 C ATOM 719 O PHE A 45 20.206 27.206 20.768 1.00 49.49 O ATOM 720 CB PHE A 45 21.978 27.443 18.160 1.00 49.82 C ATOM 721 CG PHE A 45 20.910 27.072 17.171 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.626 27.898 16.093 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.186 25.899 17.317 1.00 49.88 C ATOM 724 CE1 PHE A 45 19.643 27.558 15.183 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.204 25.557 16.408 1.00 49.88 C ATOM 726 CZ PHE A 45 18.932 26.388 15.339 1.00 49.88 C ATOM 0 H PHE A 45 22.680 27.992 20.886 1.00 49.53 H new ATOM 0 HA PHE A 45 21.345 29.430 18.671 1.00 50.07 H new ATOM 0 HB2 PHE A 45 22.845 27.823 17.619 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.300 26.545 18.687 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.179 28.817 15.964 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.392 25.245 18.151 1.00 49.88 H new ATOM 0 HE1 PHE A 45 19.432 28.210 14.348 1.00 49.88 H new ATOM 0 HE2 PHE A 45 18.649 24.639 16.533 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.164 26.122 14.627 1.00 49.88 H new ATOM 736 N ALA A 46 19.202 28.773 19.498 1.00 49.53 N ATOM 737 CA ALA A 46 17.822 28.522 19.958 1.00 50.07 C ATOM 738 C ALA A 46 17.649 28.537 21.470 1.00 50.51 C ATOM 739 O ALA A 46 16.706 27.955 22.026 1.00 49.49 O ATOM 740 CB ALA A 46 17.330 27.224 19.403 1.00 49.73 C ATOM 0 H ALA A 46 19.284 29.570 18.866 1.00 49.53 H new ATOM 0 HA ALA A 46 17.227 29.354 19.582 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.311 27.044 19.746 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.344 27.265 18.314 1.00 49.73 H new ATOM 0 HB3 ALA A 46 17.976 26.415 19.744 1.00 49.73 H new ATOM 746 N GLY A 47 18.595 29.159 22.111 1.00 49.53 N ATOM 747 CA GLY A 47 18.737 29.347 23.524 1.00 49.98 C ATOM 748 C GLY A 47 19.601 28.420 24.340 1.00 50.51 C ATOM 749 O GLY A 47 19.879 28.715 25.524 1.00 49.49 O ATOM 0 H GLY A 47 19.366 29.592 21.602 1.00 49.53 H new ATOM 0 HA2 GLY A 47 19.117 30.357 23.677 1.00 49.98 H new ATOM 0 HA3 GLY A 47 17.736 29.314 23.954 1.00 49.98 H new ATOM 753 N LYS A 48 20.079 27.354 23.757 1.00 49.53 N ATOM 754 CA LYS A 48 20.972 26.412 24.443 1.00 50.07 C ATOM 755 C LYS A 48 22.435 26.705 24.063 1.00 50.51 C ATOM 756 O LYS A 48 22.673 27.068 22.921 1.00 49.49 O ATOM 757 CB LYS A 48 20.608 24.969 24.091 1.00 49.82 C ATOM 758 CG LYS A 48 19.139 24.624 24.288 1.00 49.82 C ATOM 759 CD LYS A 48 18.804 24.451 25.762 1.00 49.82 C ATOM 760 CE LYS A 48 17.358 24.015 25.954 1.00 50.21 C ATOM 761 NZ LYS A 48 16.404 25.136 25.732 1.00 49.70 N ATOM 0 H LYS A 48 19.870 27.099 22.792 1.00 49.53 H new ATOM 0 HA LYS A 48 20.854 26.539 25.519 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.876 24.783 23.051 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.211 24.296 24.700 1.00 49.82 H new ATOM 0 HG2 LYS A 48 18.518 25.412 23.862 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.903 23.706 23.749 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.471 23.711 26.204 1.00 49.82 H new ATOM 0 HD3 LYS A 48 18.976 25.390 26.289 1.00 49.82 H new ATOM 0 HE2 LYS A 48 17.130 23.202 25.264 1.00 50.21 H new ATOM 0 HE3 LYS A 48 17.228 23.623 26.963 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 15.431 24.797 25.873 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 16.605 25.901 26.407 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 16.509 25.494 24.761 1.00 49.70 H new ATOM 775 N GLN A 49 23.349 26.535 24.980 1.00 49.53 N ATOM 776 CA GLN A 49 24.791 26.686 24.638 1.00 50.07 C ATOM 777 C GLN A 49 25.139 25.353 23.983 1.00 50.51 C ATOM 778 O GLN A 49 24.765 24.291 24.544 1.00 49.49 O ATOM 779 CB GLN A 49 25.645 26.925 25.886 1.00 49.82 C ATOM 780 CG GLN A 49 27.043 27.442 25.594 1.00 49.82 C ATOM 781 CD GLN A 49 28.046 26.321 25.398 1.00 50.55 C ATOM 782 OE1 GLN A 49 27.950 25.265 26.030 1.00 49.45 O ATOM 783 NE2 GLN A 49 29.017 26.544 24.521 1.00 49.38 N ATOM 0 H GLN A 49 23.158 26.297 25.953 1.00 49.53 H new ATOM 0 HA GLN A 49 24.982 27.544 23.993 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.133 27.639 26.532 1.00 49.82 H new ATOM 0 HB3 GLN A 49 25.724 25.991 26.443 1.00 49.82 H new ATOM 0 HG2 GLN A 49 27.018 28.064 24.699 1.00 49.82 H new ATOM 0 HG3 GLN A 49 27.371 28.079 26.415 1.00 49.82 H new ATOM 0 HE21 GLN A 49 29.058 27.432 24.021 1.00 49.38 H new ATOM 0 HE22 GLN A 49 29.722 25.828 24.347 1.00 49.38 H new ATOM 792 N LEU A 50 25.755 25.381 22.825 1.00 49.53 N ATOM 793 CA LEU A 50 26.059 24.158 22.064 1.00 50.07 C ATOM 794 C LEU A 50 27.241 23.374 22.606 1.00 50.51 C ATOM 795 O LEU A 50 28.007 23.951 23.354 1.00 49.49 O ATOM 796 CB LEU A 50 26.301 24.510 20.590 1.00 49.82 C ATOM 797 CG LEU A 50 25.079 24.364 19.675 1.00 49.91 C ATOM 798 CD1 LEU A 50 23.827 24.847 20.394 1.00 49.73 C ATOM 799 CD2 LEU A 50 25.304 25.155 18.395 1.00 49.73 C ATOM 0 H LEU A 50 26.065 26.241 22.372 1.00 49.53 H new ATOM 0 HA LEU A 50 25.189 23.510 22.167 1.00 50.07 H new ATOM 0 HB2 LEU A 50 26.657 25.539 20.532 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.099 23.874 20.207 1.00 49.82 H new ATOM 0 HG LEU A 50 24.941 23.314 19.419 1.00 49.91 H new ATOM 0 HD11 LEU A 50 22.965 24.739 19.736 1.00 49.73 H new ATOM 0 HD12 LEU A 50 23.672 24.253 21.295 1.00 49.73 H new ATOM 0 HD13 LEU A 50 23.946 25.895 20.667 1.00 49.73 H new ATOM 0 HD21 LEU A 50 24.435 25.051 17.745 1.00 49.73 H new ATOM 0 HD22 LEU A 50 25.451 26.207 18.639 1.00 49.73 H new ATOM 0 HD23 LEU A 50 26.188 24.775 17.883 1.00 49.73 H new ATOM 811 N GLU A 51 27.314 22.079 22.293 1.00 49.53 N ATOM 812 CA GLU A 51 28.406 21.237 22.826 1.00 50.07 C ATOM 813 C GLU A 51 29.428 21.091 21.731 1.00 50.51 C ATOM 814 O GLU A 51 29.070 21.194 20.560 1.00 49.49 O ATOM 815 CB GLU A 51 27.880 19.868 23.266 1.00 49.82 C ATOM 816 CG GLU A 51 28.965 18.874 23.653 1.00 49.72 C ATOM 817 CD GLU A 51 29.927 19.472 24.641 1.00 50.62 C ATOM 818 OE1 GLU A 51 29.486 19.943 25.662 1.00 49.24 O ATOM 819 OE2 GLU A 51 31.112 19.360 24.428 1.00 49.24 O ATOM 0 H GLU A 51 26.652 21.592 21.689 1.00 49.53 H new ATOM 0 HA GLU A 51 28.850 21.701 23.707 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.210 20.005 24.115 1.00 49.82 H new ATOM 0 HB3 GLU A 51 27.286 19.443 22.457 1.00 49.82 H new ATOM 0 HG2 GLU A 51 28.508 17.982 24.082 1.00 49.72 H new ATOM 0 HG3 GLU A 51 29.506 18.558 22.761 1.00 49.72 H new ATOM 826 N ASP A 52 30.678 20.853 22.040 1.00 49.53 N ATOM 827 CA ASP A 52 31.795 20.771 21.104 1.00 50.07 C ATOM 828 C ASP A 52 31.738 19.503 20.271 1.00 50.51 C ATOM 829 O ASP A 52 32.091 19.560 19.059 1.00 49.49 O ATOM 830 CB ASP A 52 33.127 20.846 21.854 1.00 49.72 C ATOM 831 CG ASP A 52 33.554 22.256 22.239 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.106 23.184 21.609 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.195 22.404 23.252 1.00 49.24 O ATOM 0 H ASP A 52 30.971 20.701 23.005 1.00 49.53 H new ATOM 0 HA ASP A 52 31.716 21.621 20.426 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.055 20.242 22.758 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.905 20.401 21.234 1.00 49.72 H new ATOM 838 N GLY A 53 31.470 18.374 20.889 1.00 49.53 N ATOM 839 CA GLY A 53 31.436 17.053 20.236 1.00 49.98 C ATOM 840 C GLY A 53 30.278 16.671 19.374 1.00 50.51 C ATOM 841 O GLY A 53 30.243 15.555 18.806 1.00 49.49 O ATOM 0 H GLY A 53 31.262 18.332 21.887 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.335 16.971 19.625 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.516 16.302 21.022 1.00 49.98 H new ATOM 845 N ARG A 54 29.285 17.536 19.203 1.00 49.53 N ATOM 846 CA ARG A 54 28.144 17.259 18.306 1.00 50.07 C ATOM 847 C ARG A 54 28.327 17.862 16.921 1.00 50.51 C ATOM 848 O ARG A 54 29.191 18.741 16.719 1.00 49.49 O ATOM 849 CB ARG A 54 26.822 17.687 18.922 1.00 49.82 C ATOM 850 CG ARG A 54 26.417 16.917 20.168 1.00 49.82 C ATOM 851 CD ARG A 54 25.247 17.484 20.887 1.00 50.20 C ATOM 852 NE ARG A 54 24.873 16.763 22.092 1.00 49.30 N ATOM 853 CZ ARG A 54 24.189 15.601 22.108 1.00 50.64 C ATOM 854 NH1 ARG A 54 23.773 15.045 20.992 1.00 49.20 N ATOM 855 NH2 ARG A 54 23.928 15.046 23.279 1.00 49.20 N ATOM 0 H ARG A 54 29.237 18.441 19.671 1.00 49.53 H new ATOM 0 HA ARG A 54 28.116 16.177 18.178 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.880 18.747 19.170 1.00 49.82 H new ATOM 0 HB3 ARG A 54 26.037 17.577 18.174 1.00 49.82 H new ATOM 0 HG2 ARG A 54 26.192 15.888 19.887 1.00 49.82 H new ATOM 0 HG3 ARG A 54 27.266 16.883 20.851 1.00 49.82 H new ATOM 0 HD2 ARG A 54 25.465 18.519 21.151 1.00 50.20 H new ATOM 0 HD3 ARG A 54 24.393 17.501 20.209 1.00 50.20 H new ATOM 0 HE ARG A 54 25.147 17.164 22.989 1.00 49.30 H new ATOM 0 HH11 ARG A 54 23.966 15.493 20.096 1.00 49.20 H new ATOM 0 HH12 ARG A 54 23.257 14.166 21.022 1.00 49.20 H new ATOM 0 HH21 ARG A 54 24.242 15.497 24.138 1.00 49.20 H new ATOM 0 HH22 ARG A 54 23.412 14.167 23.323 1.00 49.20 H new ATOM 869 N THR A 55 27.475 17.482 16.000 1.00 49.53 N ATOM 870 CA THR A 55 27.461 18.009 14.617 1.00 50.07 C ATOM 871 C THR A 55 26.384 19.090 14.362 1.00 50.51 C ATOM 872 O THR A 55 25.356 19.108 15.031 1.00 49.49 O ATOM 873 CB THR A 55 27.264 16.874 13.595 1.00 50.14 C ATOM 874 OG1 THR A 55 25.983 16.263 13.796 1.00 49.34 O ATOM 875 CG2 THR A 55 28.353 15.822 13.749 1.00 49.73 C ATOM 0 H THR A 55 26.750 16.786 16.173 1.00 49.53 H new ATOM 0 HA THR A 55 28.435 18.481 14.490 1.00 50.07 H new ATOM 0 HB THR A 55 27.320 17.296 12.591 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.436 16.379 12.991 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.198 15.028 13.019 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.328 16.281 13.584 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.314 15.403 14.754 1.00 49.73 H new ATOM 883 N LEU A 56 26.652 19.940 13.392 1.00 49.53 N ATOM 884 CA LEU A 56 25.705 20.992 12.983 1.00 50.07 C ATOM 885 C LEU A 56 24.338 20.421 12.614 1.00 50.51 C ATOM 886 O LEU A 56 23.357 21.047 12.914 1.00 49.49 O ATOM 887 CB LEU A 56 26.280 21.789 11.806 1.00 49.82 C ATOM 888 CG LEU A 56 27.389 22.785 12.172 1.00 49.91 C ATOM 889 CD1 LEU A 56 28.124 23.232 10.916 1.00 49.73 C ATOM 890 CD2 LEU A 56 26.783 23.977 12.897 1.00 49.73 C ATOM 0 H LEU A 56 27.522 19.933 12.860 1.00 49.53 H new ATOM 0 HA LEU A 56 25.562 21.655 13.836 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.672 21.087 11.070 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.468 22.334 11.326 1.00 49.82 H new ATOM 0 HG LEU A 56 28.108 22.302 12.834 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.909 23.939 11.186 1.00 49.73 H new ATOM 0 HD12 LEU A 56 28.568 22.365 10.427 1.00 49.73 H new ATOM 0 HD13 LEU A 56 27.422 23.713 10.235 1.00 49.73 H new ATOM 0 HD21 LEU A 56 27.571 24.684 13.157 1.00 49.73 H new ATOM 0 HD22 LEU A 56 26.056 24.466 12.249 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.287 23.636 13.806 1.00 49.73 H new ATOM 902 N SER A 57 24.307 19.180 12.089 1.00 49.53 N ATOM 903 CA SER A 57 22.980 18.629 11.718 1.00 50.07 C ATOM 904 C SER A 57 22.238 18.217 12.971 1.00 50.51 C ATOM 905 O SER A 57 20.972 18.270 13.011 1.00 49.49 O ATOM 906 CB SER A 57 23.140 17.452 10.777 1.00 50.05 C ATOM 907 OG SER A 57 23.770 16.364 11.396 1.00 49.34 O ATOM 0 H SER A 57 25.113 18.577 11.920 1.00 49.53 H new ATOM 0 HA SER A 57 22.403 19.396 11.201 1.00 50.07 H new ATOM 0 HB2 SER A 57 22.160 17.144 10.413 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.721 17.760 9.907 1.00 50.05 H new ATOM 0 HG SER A 57 23.852 15.626 10.756 1.00 49.34 H new ATOM 913 N ASP A 58 22.968 17.840 14.005 1.00 49.53 N ATOM 914 CA ASP A 58 22.341 17.419 15.286 1.00 50.07 C ATOM 915 C ASP A 58 21.362 18.466 15.829 1.00 50.51 C ATOM 916 O ASP A 58 20.357 18.160 16.477 1.00 49.49 O ATOM 917 CB ASP A 58 23.417 17.121 16.333 1.00 49.72 C ATOM 918 CG ASP A 58 24.133 15.792 16.138 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.670 15.000 15.352 1.00 49.24 O ATOM 920 OD2 ASP A 58 25.217 15.643 16.652 1.00 49.24 O ATOM 0 H ASP A 58 23.988 17.810 14.003 1.00 49.53 H new ATOM 0 HA ASP A 58 21.771 16.514 15.078 1.00 50.07 H new ATOM 0 HB2 ASP A 58 24.155 17.923 16.317 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.958 17.131 17.321 1.00 49.72 H new ATOM 925 N TYR A 59 21.770 19.700 15.743 1.00 49.53 N ATOM 926 CA TYR A 59 20.991 20.855 16.185 1.00 50.07 C ATOM 927 C TYR A 59 20.126 21.444 15.095 1.00 50.51 C ATOM 928 O TYR A 59 19.721 22.614 15.243 1.00 49.49 O ATOM 929 CB TYR A 59 21.919 21.934 16.746 1.00 49.82 C ATOM 930 CG TYR A 59 22.611 21.539 18.033 1.00 50.00 C ATOM 931 CD1 TYR A 59 21.943 21.603 19.247 1.00 49.88 C ATOM 932 CD2 TYR A 59 23.928 21.108 18.031 1.00 49.88 C ATOM 933 CE1 TYR A 59 22.569 21.245 20.425 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.564 20.746 19.203 1.00 49.88 C ATOM 935 CZ TYR A 59 23.880 20.817 20.399 1.00 50.11 C ATOM 936 OH TYR A 59 24.508 20.459 21.571 1.00 49.46 O ATOM 0 H TYR A 59 22.678 19.953 15.354 1.00 49.53 H new ATOM 0 HA TYR A 59 20.319 20.494 16.963 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.674 22.175 15.998 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.341 22.842 16.919 1.00 49.82 H new ATOM 0 HD1 TYR A 59 20.917 21.938 19.271 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.467 21.054 17.097 1.00 49.88 H new ATOM 0 HE1 TYR A 59 22.035 21.300 21.362 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.590 20.410 19.183 1.00 49.88 H new ATOM 0 HH TYR A 59 23.846 20.106 22.202 1.00 49.46 H new ATOM 946 N ASN A 60 19.795 20.748 14.029 1.00 49.53 N ATOM 947 CA ASN A 60 18.946 21.364 12.987 1.00 50.07 C ATOM 948 C ASN A 60 19.232 22.783 12.511 1.00 50.51 C ATOM 949 O ASN A 60 18.355 23.463 11.942 1.00 49.49 O ATOM 950 CB ASN A 60 17.486 21.283 13.397 1.00 49.82 C ATOM 951 CG ASN A 60 16.988 19.878 13.584 1.00 50.55 C ATOM 952 OD1 ASN A 60 16.486 19.512 14.654 1.00 49.45 O ATOM 953 ND2 ASN A 60 17.195 19.066 12.578 1.00 49.38 N ATOM 0 H ASN A 60 20.080 19.786 13.847 1.00 49.53 H new ATOM 0 HA ASN A 60 19.208 20.759 12.119 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.348 21.835 14.327 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.877 21.777 12.640 1.00 49.82 H new ATOM 0 HD21 ASN A 60 16.939 18.082 12.656 1.00 49.38 H new ATOM 0 HD22 ASN A 60 17.612 19.418 11.716 1.00 49.38 H new ATOM 960 N ILE A 61 20.465 23.224 12.660 1.00 49.53 N ATOM 961 CA ILE A 61 20.877 24.564 12.145 1.00 50.07 C ATOM 962 C ILE A 61 20.899 24.321 10.638 1.00 50.51 C ATOM 963 O ILE A 61 21.509 23.275 10.269 1.00 49.49 O ATOM 964 CB ILE A 61 22.268 24.997 12.645 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.299 25.022 14.176 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.636 26.360 12.079 1.00 49.73 C ATOM 967 CD1 ILE A 61 23.695 25.023 14.757 1.00 49.73 C ATOM 0 H ILE A 61 21.208 22.701 13.123 1.00 49.53 H new ATOM 0 HA ILE A 61 20.214 25.365 12.473 1.00 50.07 H new ATOM 0 HB ILE A 61 23.004 24.272 12.297 1.00 49.91 H new ATOM 0 HG12 ILE A 61 21.769 25.907 14.527 1.00 49.82 H new ATOM 0 HG13 ILE A 61 21.758 24.155 14.556 1.00 49.82 H new ATOM 0 HG21 ILE A 61 23.622 26.651 12.442 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.651 26.310 10.990 1.00 49.73 H new ATOM 0 HG23 ILE A 61 21.900 27.097 12.398 1.00 49.73 H new ATOM 0 HD11 ILE A 61 23.636 25.041 15.845 1.00 49.73 H new ATOM 0 HD12 ILE A 61 24.223 24.125 14.437 1.00 49.73 H new ATOM 0 HD13 ILE A 61 24.234 25.904 14.408 1.00 49.73 H new ATOM 979 N GLN A 62 20.238 25.134 9.864 1.00 49.53 N ATOM 980 CA GLN A 62 20.127 24.961 8.386 1.00 50.07 C ATOM 981 C GLN A 62 20.435 26.324 7.759 1.00 50.51 C ATOM 982 O GLN A 62 20.363 27.352 8.454 1.00 49.49 O ATOM 983 CB GLN A 62 18.726 24.491 7.987 1.00 49.82 C ATOM 984 CG GLN A 62 18.419 23.053 8.374 1.00 49.82 C ATOM 985 CD GLN A 62 17.196 22.511 7.660 1.00 50.55 C ATOM 986 OE1 GLN A 62 17.248 22.188 6.470 1.00 49.45 O ATOM 987 NE2 GLN A 62 16.085 22.412 8.381 1.00 49.38 N ATOM 0 H GLN A 62 19.744 25.955 10.215 1.00 49.53 H new ATOM 0 HA GLN A 62 20.824 24.199 8.037 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.989 25.146 8.451 1.00 49.82 H new ATOM 0 HB3 GLN A 62 18.612 24.598 6.908 1.00 49.82 H new ATOM 0 HG2 GLN A 62 19.280 22.426 8.142 1.00 49.82 H new ATOM 0 HG3 GLN A 62 18.263 22.995 9.451 1.00 49.82 H new ATOM 0 HE21 GLN A 62 16.087 22.691 9.362 1.00 49.38 H new ATOM 0 HE22 GLN A 62 15.230 22.057 7.954 1.00 49.38 H new ATOM 996 N LYS A 63 20.798 26.347 6.478 1.00 49.53 N ATOM 997 CA LYS A 63 21.174 27.566 5.795 1.00 50.07 C ATOM 998 C LYS A 63 20.156 28.616 6.233 1.00 50.51 C ATOM 999 O LYS A 63 19.004 28.346 6.531 1.00 49.49 O ATOM 1000 CB LYS A 63 21.156 27.380 4.277 1.00 49.82 C ATOM 1001 CG LYS A 63 21.778 28.531 3.497 1.00 49.82 C ATOM 1002 CD LYS A 63 21.615 28.333 1.996 1.00 49.82 C ATOM 1003 CE LYS A 63 20.237 28.776 1.526 1.00 50.21 C ATOM 1004 NZ LYS A 63 20.092 28.669 0.048 1.00 49.70 N ATOM 0 H LYS A 63 20.837 25.514 5.890 1.00 49.53 H new ATOM 0 HA LYS A 63 22.191 27.865 6.048 1.00 50.07 H new ATOM 0 HB2 LYS A 63 21.686 26.460 4.029 1.00 49.82 H new ATOM 0 HB3 LYS A 63 20.124 27.251 3.951 1.00 49.82 H new ATOM 0 HG2 LYS A 63 21.311 29.470 3.795 1.00 49.82 H new ATOM 0 HG3 LYS A 63 22.837 28.610 3.743 1.00 49.82 H new ATOM 0 HD2 LYS A 63 22.381 28.899 1.467 1.00 49.82 H new ATOM 0 HD3 LYS A 63 21.766 27.283 1.747 1.00 49.82 H new ATOM 0 HE2 LYS A 63 19.475 28.166 2.010 1.00 50.21 H new ATOM 0 HE3 LYS A 63 20.063 29.807 1.834 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 19.140 28.980 -0.231 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 20.802 29.271 -0.415 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 20.233 27.681 -0.244 1.00 49.70 H new ATOM 1018 N GLU A 64 20.688 29.844 6.314 1.00 49.53 N ATOM 1019 CA GLU A 64 19.974 31.035 6.691 1.00 50.07 C ATOM 1020 C GLU A 64 19.497 31.057 8.112 1.00 50.51 C ATOM 1021 O GLU A 64 18.348 31.458 8.427 1.00 49.49 O ATOM 1022 CB GLU A 64 18.785 31.249 5.751 1.00 49.82 C ATOM 1023 CG GLU A 64 19.163 31.405 4.285 1.00 49.72 C ATOM 1024 CD GLU A 64 18.024 31.973 3.485 1.00 50.62 C ATOM 1025 OE1 GLU A 64 16.996 31.344 3.421 1.00 49.24 O ATOM 1026 OE2 GLU A 64 18.140 33.087 3.031 1.00 49.24 O ATOM 0 H GLU A 64 21.670 30.023 6.106 1.00 49.53 H new ATOM 0 HA GLU A 64 20.696 31.847 6.604 1.00 50.07 H new ATOM 0 HB2 GLU A 64 18.103 30.405 5.850 1.00 49.82 H new ATOM 0 HB3 GLU A 64 18.241 32.138 6.070 1.00 49.82 H new ATOM 0 HG2 GLU A 64 20.032 32.057 4.199 1.00 49.72 H new ATOM 0 HG3 GLU A 64 19.450 30.436 3.876 1.00 49.72 H new ATOM 1033 N SER A 65 20.422 30.769 9.013 1.00 49.53 N ATOM 1034 CA SER A 65 20.195 30.841 10.462 1.00 50.07 C ATOM 1035 C SER A 65 21.269 31.767 11.080 1.00 50.51 C ATOM 1036 O SER A 65 22.412 31.770 10.635 1.00 49.49 O ATOM 1037 CB SER A 65 20.251 29.458 11.080 1.00 50.05 C ATOM 1038 OG SER A 65 19.379 28.562 10.448 1.00 49.34 O ATOM 0 H SER A 65 21.366 30.474 8.764 1.00 49.53 H new ATOM 0 HA SER A 65 19.204 31.247 10.663 1.00 50.07 H new ATOM 0 HB2 SER A 65 21.270 29.075 11.019 1.00 50.05 H new ATOM 0 HB3 SER A 65 19.998 29.524 12.138 1.00 50.05 H new ATOM 0 HG SER A 65 19.677 28.410 9.527 1.00 49.34 H new ATOM 1044 N THR A 66 20.891 32.536 12.066 1.00 49.53 N ATOM 1045 CA THR A 66 21.822 33.398 12.803 1.00 50.07 C ATOM 1046 C THR A 66 22.357 32.636 14.015 1.00 50.51 C ATOM 1047 O THR A 66 21.557 31.939 14.677 1.00 49.49 O ATOM 1048 CB THR A 66 21.149 34.701 13.272 1.00 50.14 C ATOM 1049 OG1 THR A 66 20.560 35.369 12.148 1.00 49.34 O ATOM 1050 CG2 THR A 66 22.165 35.620 13.929 1.00 49.73 C ATOM 0 H THR A 66 19.927 32.594 12.394 1.00 49.53 H new ATOM 0 HA THR A 66 22.636 33.669 12.131 1.00 50.07 H new ATOM 0 HB THR A 66 20.377 34.452 14.000 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.130 36.197 12.448 1.00 49.34 H new ATOM 0 HG21 THR A 66 21.671 36.536 14.254 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.604 35.119 14.792 1.00 49.73 H new ATOM 0 HG23 THR A 66 22.950 35.866 13.213 1.00 49.73 H new ATOM 1058 N LEU A 67 23.669 32.711 14.265 1.00 49.53 N ATOM 1059 CA LEU A 67 24.228 32.091 15.473 1.00 50.07 C ATOM 1060 C LEU A 67 24.849 33.253 16.278 1.00 50.51 C ATOM 1061 O LEU A 67 25.486 34.073 15.597 1.00 49.49 O ATOM 1062 CB LEU A 67 25.279 31.033 15.114 1.00 49.82 C ATOM 1063 CG LEU A 67 24.833 29.996 14.076 1.00 49.91 C ATOM 1064 CD1 LEU A 67 25.988 29.061 13.744 1.00 49.73 C ATOM 1065 CD2 LEU A 67 23.645 29.214 14.616 1.00 49.73 C ATOM 0 H LEU A 67 24.348 33.181 13.666 1.00 49.53 H new ATOM 0 HA LEU A 67 23.466 31.568 16.050 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.168 31.540 14.739 1.00 49.82 H new ATOM 0 HB3 LEU A 67 25.571 30.510 16.025 1.00 49.82 H new ATOM 0 HG LEU A 67 24.531 30.504 13.160 1.00 49.91 H new ATOM 0 HD11 LEU A 67 25.662 28.328 13.006 1.00 49.73 H new ATOM 0 HD12 LEU A 67 26.819 29.639 13.339 1.00 49.73 H new ATOM 0 HD13 LEU A 67 26.311 28.546 14.649 1.00 49.73 H new ATOM 0 HD21 LEU A 67 23.329 28.477 13.878 1.00 49.73 H new ATOM 0 HD22 LEU A 67 23.932 28.705 15.536 1.00 49.73 H new ATOM 0 HD23 LEU A 67 22.822 29.898 14.821 1.00 49.73 H new ATOM 1077 N HIS A 68 24.649 33.279 17.547 1.00 49.53 N ATOM 1078 CA HIS A 68 25.269 34.354 18.360 1.00 50.07 C ATOM 1079 C HIS A 68 26.595 33.917 18.978 1.00 50.51 C ATOM 1080 O HIS A 68 26.665 32.884 19.677 1.00 49.49 O ATOM 1081 CB HIS A 68 24.310 34.814 19.462 1.00 49.92 C ATOM 1082 CG HIS A 68 24.784 36.024 20.205 1.00 50.22 C ATOM 1083 ND1 HIS A 68 25.286 37.140 19.567 1.00 49.30 N ATOM 1084 CD2 HIS A 68 24.834 36.294 21.530 1.00 49.95 C ATOM 1085 CE1 HIS A 68 25.624 38.044 20.470 1.00 50.25 C ATOM 1086 NE2 HIS A 68 25.360 37.554 21.668 1.00 49.64 N ATOM 0 H HIS A 68 24.084 32.606 18.066 1.00 49.53 H new ATOM 0 HA HIS A 68 25.474 35.185 17.686 1.00 50.07 H new ATOM 0 HB2 HIS A 68 23.337 35.028 19.019 1.00 49.92 H new ATOM 0 HB3 HIS A 68 24.165 33.998 20.170 1.00 49.92 H new ATOM 0 HD2 HIS A 68 24.519 35.640 22.330 1.00 49.95 H new ATOM 0 HE1 HIS A 68 26.044 39.017 20.264 1.00 50.25 H new ATOM 0 HE2 HIS A 68 25.521 38.035 22.553 1.00 49.64 H new ATOM 1094 N LEU A 69 27.632 34.714 18.780 1.00 49.53 N ATOM 1095 CA LEU A 69 28.938 34.450 19.378 1.00 50.07 C ATOM 1096 C LEU A 69 29.163 35.162 20.677 1.00 50.51 C ATOM 1097 O LEU A 69 29.193 36.443 20.657 1.00 49.49 O ATOM 1098 CB LEU A 69 30.047 34.816 18.384 1.00 49.82 C ATOM 1099 CG LEU A 69 31.470 34.794 18.957 1.00 49.91 C ATOM 1100 CD1 LEU A 69 31.766 33.430 19.568 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.467 35.119 17.856 1.00 49.73 C ATOM 0 H LEU A 69 27.597 35.556 18.206 1.00 49.53 H new ATOM 0 HA LEU A 69 28.963 33.384 19.605 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.001 34.125 17.542 1.00 49.82 H new ATOM 0 HB3 LEU A 69 29.846 35.812 17.991 1.00 49.82 H new ATOM 0 HG LEU A 69 31.557 35.546 19.742 1.00 49.91 H new ATOM 0 HD11 LEU A 69 32.778 33.424 19.972 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.055 33.228 20.369 1.00 49.73 H new ATOM 0 HD13 LEU A 69 31.677 32.661 18.801 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.478 35.103 18.264 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.385 34.378 17.061 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.254 36.109 17.453 1.00 49.73 H new ATOM 1113 N VAL A 70 29.383 34.475 21.751 1.00 49.53 N ATOM 1114 CA VAL A 70 29.719 35.140 23.043 1.00 50.07 C ATOM 1115 C VAL A 70 31.226 34.888 23.200 1.00 50.51 C ATOM 1116 O VAL A 70 31.699 33.784 22.848 1.00 49.49 O ATOM 1117 CB VAL A 70 28.949 34.543 24.235 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.482 35.102 25.547 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.460 34.825 24.104 1.00 49.73 C ATOM 0 H VAL A 70 29.345 33.457 21.796 1.00 49.53 H new ATOM 0 HA VAL A 70 29.448 36.196 23.032 1.00 50.07 H new ATOM 0 HB VAL A 70 29.097 33.463 24.233 1.00 49.91 H new ATOM 0 HG11 VAL A 70 28.927 34.669 26.379 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.538 34.852 25.647 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.363 36.185 25.556 1.00 49.73 H new ATOM 0 HG21 VAL A 70 26.932 34.396 24.955 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.294 35.902 24.080 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.085 34.380 23.182 1.00 49.73 H new ATOM 1129 N LEU A 71 31.958 35.867 23.678 1.00 49.53 N ATOM 1130 CA LEU A 71 33.413 35.697 23.893 1.00 50.07 C ATOM 1131 C LEU A 71 33.821 35.684 25.342 1.00 50.51 C ATOM 1132 O LEU A 71 33.368 36.521 26.148 1.00 49.49 O ATOM 1133 CB LEU A 71 34.179 36.797 23.147 1.00 49.82 C ATOM 1134 CG LEU A 71 34.185 36.667 21.619 1.00 49.91 C ATOM 1135 CD1 LEU A 71 34.890 37.865 20.996 1.00 49.73 C ATOM 1136 CD2 LEU A 71 34.875 35.369 21.222 1.00 49.73 C ATOM 0 H LEU A 71 31.594 36.786 23.929 1.00 49.53 H new ATOM 0 HA LEU A 71 33.667 34.713 23.498 1.00 50.07 H new ATOM 0 HB2 LEU A 71 33.747 37.762 23.412 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.210 36.802 23.499 1.00 49.82 H new ATOM 0 HG LEU A 71 33.159 36.646 21.252 1.00 49.91 H new ATOM 0 HD11 LEU A 71 34.889 37.764 19.911 1.00 49.73 H new ATOM 0 HD12 LEU A 71 34.368 38.780 21.275 1.00 49.73 H new ATOM 0 HD13 LEU A 71 35.918 37.910 21.355 1.00 49.73 H new ATOM 0 HD21 LEU A 71 34.879 35.277 20.136 1.00 49.73 H new ATOM 0 HD22 LEU A 71 35.901 35.375 21.590 1.00 49.73 H new ATOM 0 HD23 LEU A 71 34.339 34.525 21.656 1.00 49.73 H new ATOM 1148 N ARG A 72 34.654 34.785 25.712 1.00 49.53 N ATOM 1149 CA ARG A 72 35.191 34.683 27.085 1.00 50.07 C ATOM 1150 C ARG A 72 36.699 34.919 27.018 1.00 50.51 C ATOM 1151 O ARG A 72 37.319 34.030 26.351 1.00 49.49 O ATOM 1152 CB ARG A 72 34.848 33.361 27.755 1.00 49.82 C ATOM 1153 CG ARG A 72 35.446 33.170 29.140 1.00 49.82 C ATOM 1154 CD ARG A 72 35.234 31.818 29.717 1.00 50.20 C ATOM 1155 NE ARG A 72 35.879 31.605 31.002 1.00 49.30 N ATOM 1156 CZ ARG A 72 35.380 32.014 32.186 1.00 50.64 C ATOM 1157 NH1 ARG A 72 34.254 32.690 32.249 1.00 49.20 N ATOM 1158 NH2 ARG A 72 36.067 31.739 33.281 1.00 49.20 N ATOM 0 H ARG A 72 35.011 34.067 25.082 1.00 49.53 H new ATOM 0 HA ARG A 72 34.723 35.442 27.711 1.00 50.07 H new ATOM 0 HB2 ARG A 72 33.764 33.279 27.829 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.186 32.547 27.114 1.00 49.82 H new ATOM 0 HG2 ARG A 72 36.517 33.367 29.091 1.00 49.82 H new ATOM 0 HG3 ARG A 72 35.016 33.911 29.814 1.00 49.82 H new ATOM 0 HD2 ARG A 72 34.163 31.648 29.829 1.00 50.20 H new ATOM 0 HD3 ARG A 72 35.603 31.073 29.011 1.00 50.20 H new ATOM 0 HE ARG A 72 36.772 31.112 31.009 1.00 49.30 H new ATOM 0 HH11 ARG A 72 33.744 32.912 31.394 1.00 49.20 H new ATOM 0 HH12 ARG A 72 33.890 32.992 33.153 1.00 49.20 H new ATOM 0 HH21 ARG A 72 36.949 31.231 33.216 1.00 49.20 H new ATOM 0 HH22 ARG A 72 35.715 32.035 34.192 1.00 49.20 H new ATOM 1172 N LEU A 73 37.236 35.939 27.600 1.00 49.53 N ATOM 1173 CA LEU A 73 38.701 36.159 27.511 1.00 50.07 C ATOM 1174 C LEU A 73 39.558 35.733 28.695 1.00 50.51 C ATOM 1175 O LEU A 73 39.043 35.403 29.775 1.00 49.49 O ATOM 1176 CB LEU A 73 38.968 37.639 27.208 1.00 49.82 C ATOM 1177 CG LEU A 73 38.238 38.196 25.980 1.00 49.91 C ATOM 1178 CD1 LEU A 73 38.512 39.688 25.841 1.00 49.73 C ATOM 1179 CD2 LEU A 73 38.689 37.447 24.735 1.00 49.73 C ATOM 0 H LEU A 73 36.724 36.638 28.139 1.00 49.53 H new ATOM 0 HA LEU A 73 39.014 35.488 26.711 1.00 50.07 H new ATOM 0 HB2 LEU A 73 38.683 38.229 28.079 1.00 49.82 H new ATOM 0 HB3 LEU A 73 40.040 37.777 27.067 1.00 49.82 H new ATOM 0 HG LEU A 73 37.164 38.056 26.103 1.00 49.91 H new ATOM 0 HD11 LEU A 73 37.989 40.074 24.966 1.00 49.73 H new ATOM 0 HD12 LEU A 73 38.160 40.207 26.732 1.00 49.73 H new ATOM 0 HD13 LEU A 73 39.583 39.852 25.725 1.00 49.73 H new ATOM 0 HD21 LEU A 73 38.169 37.844 23.863 1.00 49.73 H new ATOM 0 HD22 LEU A 73 39.764 37.572 24.605 1.00 49.73 H new ATOM 0 HD23 LEU A 73 38.457 36.387 24.844 1.00 49.73 H new ATOM 1191 N ARG A 74 40.857 35.733 28.440 1.00 49.53 N ATOM 1192 CA ARG A 74 41.855 35.344 29.450 1.00 50.07 C ATOM 1193 C ARG A 74 42.054 36.488 30.440 1.00 50.51 C ATOM 1194 O ARG A 74 42.356 37.627 30.044 1.00 49.49 O ATOM 1195 CB ARG A 74 43.169 34.901 28.824 1.00 49.82 C ATOM 1196 CG ARG A 74 43.045 33.797 27.787 1.00 49.82 C ATOM 1197 CD ARG A 74 43.041 32.423 28.353 1.00 50.20 C ATOM 1198 NE ARG A 74 42.984 31.362 27.359 1.00 49.30 N ATOM 1199 CZ ARG A 74 42.915 30.048 27.646 1.00 50.64 C ATOM 1200 NH1 ARG A 74 42.931 29.624 28.890 1.00 49.20 N ATOM 1201 NH2 ARG A 74 42.855 29.191 26.641 1.00 49.20 N ATOM 0 H ARG A 74 41.256 35.998 27.540 1.00 49.53 H new ATOM 0 HA ARG A 74 41.475 34.476 29.989 1.00 50.07 H new ATOM 0 HB2 ARG A 74 43.642 35.765 28.358 1.00 49.82 H new ATOM 0 HB3 ARG A 74 43.836 34.561 29.617 1.00 49.82 H new ATOM 0 HG2 ARG A 74 42.125 33.947 27.222 1.00 49.82 H new ATOM 0 HG3 ARG A 74 43.871 33.884 27.081 1.00 49.82 H new ATOM 0 HD2 ARG A 74 43.938 32.290 28.957 1.00 50.20 H new ATOM 0 HD3 ARG A 74 42.187 32.322 29.023 1.00 50.20 H new ATOM 0 HE ARG A 74 42.997 31.632 26.376 1.00 49.30 H new ATOM 0 HH11 ARG A 74 42.996 30.294 29.656 1.00 49.20 H new ATOM 0 HH12 ARG A 74 42.878 28.625 29.089 1.00 49.20 H new ATOM 0 HH21 ARG A 74 42.862 29.531 25.679 1.00 49.20 H new ATOM 0 HH22 ARG A 74 42.802 28.190 26.827 1.00 49.20 H new ATOM 1215 N GLY A 75 41.839 36.164 31.710 1.00 49.53 N ATOM 1216 CA GLY A 75 41.988 37.107 32.809 1.00 49.98 C ATOM 1217 C GLY A 75 40.844 38.091 32.951 1.00 50.51 C ATOM 1218 O GLY A 75 40.138 38.430 31.985 1.00 49.49 O ATOM 0 H GLY A 75 41.554 35.231 32.007 1.00 49.53 H new ATOM 0 HA2 GLY A 75 42.088 36.548 33.740 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.915 37.664 32.670 1.00 49.98 H new ATOM 1222 N GLY A 76 40.693 38.558 34.176 1.00 49.53 N ATOM 1223 CA GLY A 76 39.671 39.536 34.580 1.00 49.98 C ATOM 1224 C GLY A 76 39.330 39.661 36.073 1.00 50.51 C ATOM 1225 O GLY A 76 38.223 40.165 36.348 1.00 49.49 O ATOM 0 H GLY A 76 41.291 38.265 34.949 1.00 49.53 H new ATOM 0 HA2 GLY A 76 39.993 40.517 34.230 1.00 49.98 H new ATOM 0 HA3 GLY A 76 38.751 39.294 34.048 1.00 49.98 H new