USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0.351 (180deg=0.287) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0609) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0376) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -84:sc= 0.0574 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.35 X(o=-1.4,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 1.28 (180deg=0.314) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.01 K(o=-1,f=-2.7) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 41 GLN : amide:sc= -4.99 K(o=-5,f=-15!) USER MOD Single : A 48 LYS NZ :NH3+ -130:sc= -0.0289 (180deg=-0.301) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -60:sc= 0.439 USER MOD Single : A 60 ASN : amide:sc=-0.00667 X(o=-0.0067,f=-0.16) USER MOD Single : A 62 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.13) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -160:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.432 USER MOD Single : A 68 HIS : no HD1:sc= -0.283 K(o=-0.28,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.961 24.837 2.754 1.00 49.53 N ATOM 2 CA MET A 1 25.870 25.791 3.019 1.00 50.07 C ATOM 3 C MET A 1 26.447 27.091 3.630 1.00 50.51 C ATOM 4 O MET A 1 27.593 27.078 4.078 1.00 49.49 O ATOM 5 CB MET A 1 24.837 25.171 3.958 1.00 49.82 C ATOM 6 CG MET A 1 24.062 24.005 3.360 1.00 49.86 C ATOM 7 SD MET A 1 23.028 24.499 1.969 1.00 49.91 S ATOM 8 CE MET A 1 22.611 22.901 1.274 1.00 49.78 C ATOM 0 H1 MET A 1 26.586 24.016 2.237 1.00 49.53 H new ATOM 0 H2 MET A 1 27.696 25.300 2.183 1.00 49.53 H new ATOM 0 H3 MET A 1 27.372 24.520 3.655 1.00 49.53 H new ATOM 0 HA MET A 1 25.375 26.033 2.079 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.343 24.830 4.861 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.130 25.943 4.262 1.00 49.82 H new ATOM 0 HG2 MET A 1 24.763 23.238 3.032 1.00 49.86 H new ATOM 0 HG3 MET A 1 23.436 23.556 4.131 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.972 23.039 0.402 1.00 49.78 H new ATOM 0 HE2 MET A 1 23.524 22.384 0.977 1.00 49.78 H new ATOM 0 HE3 MET A 1 22.083 22.306 2.020 1.00 49.78 H new ATOM 18 N GLN A 2 25.627 28.099 3.610 1.00 49.53 N ATOM 19 CA GLN A 2 26.063 29.399 4.210 1.00 50.07 C ATOM 20 C GLN A 2 25.443 29.555 5.590 1.00 50.51 C ATOM 21 O GLN A 2 24.225 29.314 5.824 1.00 49.49 O ATOM 22 CB GLN A 2 25.653 30.572 3.315 1.00 49.82 C ATOM 23 CG GLN A 2 26.472 30.702 2.043 1.00 49.82 C ATOM 24 CD GLN A 2 25.871 31.694 1.065 1.00 50.55 C ATOM 25 OE1 GLN A 2 24.883 31.398 0.388 1.00 49.45 O ATOM 26 NE2 GLN A 2 26.469 32.877 0.983 1.00 49.38 N ATOM 0 H GLN A 2 24.688 28.088 3.213 1.00 49.53 H new ATOM 0 HA GLN A 2 27.149 29.399 4.298 1.00 50.07 H new ATOM 0 HB2 GLN A 2 24.602 30.460 3.047 1.00 49.82 H new ATOM 0 HB3 GLN A 2 25.740 31.497 3.885 1.00 49.82 H new ATOM 0 HG2 GLN A 2 27.485 31.015 2.297 1.00 49.82 H new ATOM 0 HG3 GLN A 2 26.551 29.726 1.564 1.00 49.82 H new ATOM 0 HE21 GLN A 2 27.284 33.078 1.563 1.00 49.38 H new ATOM 0 HE22 GLN A 2 26.113 33.585 0.340 1.00 49.38 H new ATOM 35 N ILE A 3 26.285 29.912 6.548 1.00 49.53 N ATOM 36 CA ILE A 3 25.797 30.240 7.901 1.00 50.07 C ATOM 37 C ILE A 3 26.517 31.580 8.235 1.00 50.51 C ATOM 38 O ILE A 3 27.628 31.726 7.752 1.00 49.49 O ATOM 39 CB ILE A 3 26.160 29.163 8.939 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.680 29.005 9.035 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.507 27.838 8.581 1.00 49.73 C ATOM 42 CD1 ILE A 3 28.124 27.978 10.052 1.00 49.73 C ATOM 0 H ILE A 3 27.295 29.985 6.429 1.00 49.53 H new ATOM 0 HA ILE A 3 24.709 30.305 7.931 1.00 50.07 H new ATOM 0 HB ILE A 3 25.784 29.479 9.912 1.00 49.91 H new ATOM 0 HG12 ILE A 3 28.069 28.725 8.056 1.00 49.82 H new ATOM 0 HG13 ILE A 3 28.121 29.969 9.290 1.00 49.82 H new ATOM 0 HG21 ILE A 3 25.774 27.088 9.325 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.424 27.960 8.561 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.854 27.515 7.599 1.00 49.73 H new ATOM 0 HD11 ILE A 3 29.213 27.923 10.062 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.766 28.266 11.040 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.714 27.003 9.788 1.00 49.73 H new ATOM 54 N PHE A 4 25.827 32.361 9.034 1.00 49.53 N ATOM 55 CA PHE A 4 26.452 33.681 9.423 1.00 50.07 C ATOM 56 C PHE A 4 26.852 33.712 10.871 1.00 50.51 C ATOM 57 O PHE A 4 26.237 32.943 11.626 1.00 49.49 O ATOM 58 CB PHE A 4 25.489 34.832 9.123 1.00 49.82 C ATOM 59 CG PHE A 4 25.053 34.898 7.687 1.00 50.00 C ATOM 60 CD1 PHE A 4 24.079 34.037 7.202 1.00 49.88 C ATOM 61 CD2 PHE A 4 25.615 35.821 6.819 1.00 49.88 C ATOM 62 CE1 PHE A 4 23.678 34.097 5.882 1.00 49.88 C ATOM 63 CE2 PHE A 4 25.215 35.885 5.498 1.00 49.88 C ATOM 64 CZ PHE A 4 24.244 35.021 5.029 1.00 49.88 C ATOM 0 H PHE A 4 24.904 32.163 9.421 1.00 49.53 H new ATOM 0 HA PHE A 4 27.358 33.798 8.828 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.608 34.731 9.756 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.968 35.774 9.391 1.00 49.82 H new ATOM 0 HD1 PHE A 4 23.630 33.312 7.864 1.00 49.88 H new ATOM 0 HD2 PHE A 4 26.375 36.498 7.180 1.00 49.88 H new ATOM 0 HE1 PHE A 4 22.920 33.419 5.517 1.00 49.88 H new ATOM 0 HE2 PHE A 4 25.661 36.610 4.833 1.00 49.88 H new ATOM 0 HZ PHE A 4 23.929 35.069 3.997 1.00 49.88 H new ATOM 74 N VAL A 5 27.778 34.561 11.305 1.00 49.53 N ATOM 75 CA VAL A 5 28.120 34.675 12.709 1.00 50.07 C ATOM 76 C VAL A 5 28.387 36.141 13.130 1.00 50.51 C ATOM 77 O VAL A 5 29.279 36.687 12.469 1.00 49.49 O ATOM 78 CB VAL A 5 29.355 33.824 13.056 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.790 34.078 14.492 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.060 32.347 12.844 1.00 49.73 C ATOM 0 H VAL A 5 28.307 35.183 10.694 1.00 49.53 H new ATOM 0 HA VAL A 5 27.255 34.306 13.261 1.00 50.07 H new ATOM 0 HB VAL A 5 30.170 34.112 12.392 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.664 33.468 14.721 1.00 49.73 H new ATOM 0 HG12 VAL A 5 30.040 35.132 14.615 1.00 49.73 H new ATOM 0 HG13 VAL A 5 28.978 33.816 15.170 1.00 49.73 H new ATOM 0 HG21 VAL A 5 29.944 31.760 13.094 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.231 32.046 13.485 1.00 49.73 H new ATOM 0 HG23 VAL A 5 28.793 32.175 11.801 1.00 49.73 H new ATOM 90 N LYS A 6 27.648 36.629 14.064 1.00 49.53 N ATOM 91 CA LYS A 6 27.817 38.059 14.499 1.00 50.07 C ATOM 92 C LYS A 6 28.827 38.013 15.613 1.00 50.51 C ATOM 93 O LYS A 6 28.740 37.141 16.508 1.00 49.49 O ATOM 94 CB LYS A 6 26.493 38.658 14.977 1.00 49.82 C ATOM 95 CG LYS A 6 26.534 40.160 15.223 1.00 49.82 C ATOM 96 CD LYS A 6 25.133 40.744 15.313 1.00 49.82 C ATOM 97 CE LYS A 6 25.172 42.240 15.590 1.00 50.21 C ATOM 98 NZ LYS A 6 25.646 42.538 16.968 1.00 49.70 N ATOM 0 H LYS A 6 26.923 36.110 14.560 1.00 49.53 H new ATOM 0 HA LYS A 6 28.147 38.694 13.677 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.723 38.445 14.236 1.00 49.82 H new ATOM 0 HB3 LYS A 6 26.195 38.159 15.899 1.00 49.82 H new ATOM 0 HG2 LYS A 6 27.076 40.365 16.147 1.00 49.82 H new ATOM 0 HG3 LYS A 6 27.082 40.648 14.417 1.00 49.82 H new ATOM 0 HD2 LYS A 6 24.599 40.559 14.381 1.00 49.82 H new ATOM 0 HD3 LYS A 6 24.577 40.240 16.104 1.00 49.82 H new ATOM 0 HE2 LYS A 6 25.828 42.726 14.868 1.00 50.21 H new ATOM 0 HE3 LYS A 6 24.176 42.661 15.450 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 25.530 43.553 17.163 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 25.089 41.988 17.653 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 26.650 42.282 17.053 1.00 49.70 H new ATOM 112 N THR A 7 29.802 38.949 15.603 1.00 49.53 N ATOM 113 CA THR A 7 30.823 38.964 16.661 1.00 50.07 C ATOM 114 C THR A 7 30.554 40.245 17.454 1.00 50.51 C ATOM 115 O THR A 7 30.265 41.264 16.820 1.00 49.49 O ATOM 116 CB THR A 7 32.255 38.981 16.097 1.00 50.14 C ATOM 117 OG1 THR A 7 32.533 40.268 15.528 1.00 49.34 O ATOM 118 CG2 THR A 7 32.420 37.912 15.026 1.00 49.73 C ATOM 0 H THR A 7 29.899 39.679 14.897 1.00 49.53 H new ATOM 0 HA THR A 7 30.758 38.063 17.271 1.00 50.07 H new ATOM 0 HB THR A 7 32.951 38.777 16.910 1.00 50.14 H new ATOM 0 HG1 THR A 7 33.446 40.278 15.171 1.00 49.34 H new ATOM 0 HG21 THR A 7 33.439 37.939 14.639 1.00 49.73 H new ATOM 0 HG22 THR A 7 32.222 36.931 15.458 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.718 38.100 14.214 1.00 49.73 H new ATOM 126 N LEU A 8 30.713 40.210 18.758 1.00 49.53 N ATOM 127 CA LEU A 8 30.429 41.396 19.597 1.00 50.07 C ATOM 128 C LEU A 8 31.028 42.625 18.942 1.00 50.51 C ATOM 129 O LEU A 8 30.401 43.701 18.968 1.00 49.49 O ATOM 130 CB LEU A 8 30.995 41.204 21.009 1.00 49.82 C ATOM 131 CG LEU A 8 30.271 40.157 21.866 1.00 49.91 C ATOM 132 CD1 LEU A 8 31.098 39.830 23.101 1.00 49.73 C ATOM 133 CD2 LEU A 8 28.898 40.682 22.259 1.00 49.73 C ATOM 0 H LEU A 8 31.033 39.391 19.274 1.00 49.53 H new ATOM 0 HA LEU A 8 29.350 41.527 19.685 1.00 50.07 H new ATOM 0 HB2 LEU A 8 32.044 40.921 20.927 1.00 49.82 H new ATOM 0 HB3 LEU A 8 30.963 42.161 21.529 1.00 49.82 H new ATOM 0 HG LEU A 8 30.144 39.241 21.289 1.00 49.91 H new ATOM 0 HD11 LEU A 8 30.575 39.086 23.702 1.00 49.73 H new ATOM 0 HD12 LEU A 8 32.067 39.434 22.796 1.00 49.73 H new ATOM 0 HD13 LEU A 8 31.245 40.735 23.691 1.00 49.73 H new ATOM 0 HD21 LEU A 8 28.384 39.938 22.868 1.00 49.73 H new ATOM 0 HD22 LEU A 8 29.011 41.603 22.831 1.00 49.73 H new ATOM 0 HD23 LEU A 8 28.314 40.882 21.361 1.00 49.73 H new ATOM 145 N THR A 9 32.202 42.482 18.297 1.00 49.53 N ATOM 146 CA THR A 9 32.753 43.728 17.664 1.00 50.07 C ATOM 147 C THR A 9 31.870 44.518 16.746 1.00 50.51 C ATOM 148 O THR A 9 31.896 45.763 16.723 1.00 49.49 O ATOM 149 CB THR A 9 34.051 43.409 16.900 1.00 50.14 C ATOM 150 OG1 THR A 9 35.050 42.953 17.820 1.00 49.34 O ATOM 151 CG2 THR A 9 34.561 44.644 16.174 1.00 49.73 C ATOM 0 H THR A 9 32.747 41.626 18.196 1.00 49.53 H new ATOM 0 HA THR A 9 32.895 44.372 18.532 1.00 50.07 H new ATOM 0 HB THR A 9 33.841 42.631 16.166 1.00 50.14 H new ATOM 0 HG1 THR A 9 35.875 42.749 17.332 1.00 49.34 H new ATOM 0 HG21 THR A 9 35.479 44.399 15.640 1.00 49.73 H new ATOM 0 HG22 THR A 9 33.808 44.985 15.464 1.00 49.73 H new ATOM 0 HG23 THR A 9 34.762 45.434 16.897 1.00 49.73 H new ATOM 159 N GLY A 10 31.001 43.872 16.034 1.00 49.53 N ATOM 160 CA GLY A 10 30.084 44.505 15.111 1.00 49.98 C ATOM 161 C GLY A 10 30.275 44.008 13.709 1.00 50.51 C ATOM 162 O GLY A 10 29.653 44.537 12.761 1.00 49.49 O ATOM 0 H GLY A 10 30.899 42.858 16.073 1.00 49.53 H new ATOM 0 HA2 GLY A 10 29.059 44.314 15.428 1.00 49.98 H new ATOM 0 HA3 GLY A 10 30.229 45.585 15.137 1.00 49.98 H new ATOM 166 N LYS A 11 31.140 43.040 13.549 1.00 49.53 N ATOM 167 CA LYS A 11 31.352 42.384 12.266 1.00 50.07 C ATOM 168 C LYS A 11 30.349 41.248 11.960 1.00 50.51 C ATOM 169 O LYS A 11 29.890 40.641 12.921 1.00 49.49 O ATOM 170 CB LYS A 11 32.780 41.841 12.185 1.00 49.82 C ATOM 171 CG LYS A 11 33.863 42.874 12.465 1.00 49.82 C ATOM 172 CD LYS A 11 33.888 43.954 11.393 1.00 49.82 C ATOM 173 CE LYS A 11 35.066 44.897 11.584 1.00 50.21 C ATOM 174 NZ LYS A 11 34.834 45.859 12.696 1.00 49.70 N ATOM 0 H LYS A 11 31.724 42.677 14.302 1.00 49.53 H new ATOM 0 HA LYS A 11 31.185 43.151 11.510 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.885 41.021 12.896 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.941 41.424 11.191 1.00 49.82 H new ATOM 0 HG2 LYS A 11 33.690 43.330 13.440 1.00 49.82 H new ATOM 0 HG3 LYS A 11 34.835 42.382 12.511 1.00 49.82 H new ATOM 0 HD2 LYS A 11 33.947 43.490 10.408 1.00 49.82 H new ATOM 0 HD3 LYS A 11 32.957 44.521 11.423 1.00 49.82 H new ATOM 0 HE2 LYS A 11 35.966 44.317 11.788 1.00 50.21 H new ATOM 0 HE3 LYS A 11 35.244 45.447 10.660 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 35.504 46.651 12.615 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 33.861 46.222 12.644 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 34.975 45.377 13.607 1.00 49.70 H new ATOM 188 N THR A 12 30.113 41.001 10.685 1.00 49.53 N ATOM 189 CA THR A 12 29.228 39.867 10.359 1.00 50.07 C ATOM 190 C THR A 12 29.997 38.969 9.393 1.00 50.51 C ATOM 191 O THR A 12 30.073 39.358 8.224 1.00 49.49 O ATOM 192 CB THR A 12 27.910 40.327 9.708 1.00 50.14 C ATOM 193 OG1 THR A 12 27.202 41.187 10.611 1.00 49.34 O ATOM 194 CG2 THR A 12 27.037 39.129 9.366 1.00 49.73 C ATOM 0 H THR A 12 30.488 41.524 9.894 1.00 49.53 H new ATOM 0 HA THR A 12 28.956 39.341 11.274 1.00 50.07 H new ATOM 0 HB THR A 12 28.145 40.866 8.790 1.00 50.14 H new ATOM 0 HG1 THR A 12 26.365 41.480 10.195 1.00 49.34 H new ATOM 0 HG21 THR A 12 26.110 39.473 8.907 1.00 49.73 H new ATOM 0 HG22 THR A 12 27.567 38.479 8.670 1.00 49.73 H new ATOM 0 HG23 THR A 12 26.807 38.575 10.276 1.00 49.73 H new ATOM 202 N ILE A 13 30.346 37.770 9.859 1.00 49.53 N ATOM 203 CA ILE A 13 31.092 36.905 8.898 1.00 50.07 C ATOM 204 C ILE A 13 30.351 35.795 8.204 1.00 50.51 C ATOM 205 O ILE A 13 29.356 35.278 8.747 1.00 49.49 O ATOM 206 CB ILE A 13 32.325 36.286 9.582 1.00 49.91 C ATOM 207 CG1 ILE A 13 31.897 35.205 10.578 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.142 37.364 10.279 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.046 34.388 11.122 1.00 49.73 C ATOM 0 H ILE A 13 30.159 37.390 10.787 1.00 49.53 H new ATOM 0 HA ILE A 13 31.334 37.613 8.106 1.00 50.07 H new ATOM 0 HB ILE A 13 32.949 35.822 8.819 1.00 49.91 H new ATOM 0 HG12 ILE A 13 31.373 35.677 11.409 1.00 49.82 H new ATOM 0 HG13 ILE A 13 31.186 34.537 10.092 1.00 49.82 H new ATOM 0 HG21 ILE A 13 34.010 36.910 10.758 1.00 49.73 H new ATOM 0 HG22 ILE A 13 33.475 38.099 9.546 1.00 49.73 H new ATOM 0 HG23 ILE A 13 32.528 37.856 11.033 1.00 49.73 H new ATOM 0 HD11 ILE A 13 32.664 33.643 11.820 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.557 33.886 10.300 1.00 49.73 H new ATOM 0 HD13 ILE A 13 33.747 35.044 11.638 1.00 49.73 H new ATOM 221 N THR A 14 30.723 35.475 6.985 1.00 49.53 N ATOM 222 CA THR A 14 30.006 34.343 6.326 1.00 50.07 C ATOM 223 C THR A 14 30.809 33.070 6.282 1.00 50.51 C ATOM 224 O THR A 14 31.919 33.040 5.688 1.00 49.49 O ATOM 225 CB THR A 14 29.587 34.711 4.891 1.00 50.14 C ATOM 226 OG1 THR A 14 28.694 35.831 4.923 1.00 49.34 O ATOM 227 CG2 THR A 14 28.894 33.535 4.219 1.00 49.73 C ATOM 0 H THR A 14 31.458 35.927 6.441 1.00 49.53 H new ATOM 0 HA THR A 14 29.126 34.163 6.943 1.00 50.07 H new ATOM 0 HB THR A 14 30.481 34.966 4.323 1.00 50.14 H new ATOM 0 HG1 THR A 14 27.781 35.517 5.090 1.00 49.34 H new ATOM 0 HG21 THR A 14 28.605 33.814 3.206 1.00 49.73 H new ATOM 0 HG22 THR A 14 29.575 32.685 4.181 1.00 49.73 H new ATOM 0 HG23 THR A 14 28.005 33.263 4.788 1.00 49.73 H new ATOM 235 N LEU A 15 30.287 31.977 6.816 1.00 49.53 N ATOM 236 CA LEU A 15 30.991 30.713 6.833 1.00 50.07 C ATOM 237 C LEU A 15 30.463 29.594 5.928 1.00 50.51 C ATOM 238 O LEU A 15 29.259 29.388 5.994 1.00 49.49 O ATOM 239 CB LEU A 15 31.063 30.197 8.276 1.00 49.82 C ATOM 240 CG LEU A 15 31.928 31.035 9.227 1.00 49.91 C ATOM 241 CD1 LEU A 15 31.964 30.391 10.606 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.332 31.167 8.656 1.00 49.73 C ATOM 0 H LEU A 15 29.364 31.945 7.249 1.00 49.53 H new ATOM 0 HA LEU A 15 31.967 30.953 6.412 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.051 30.148 8.678 1.00 49.82 H new ATOM 0 HB3 LEU A 15 31.450 29.178 8.262 1.00 49.82 H new ATOM 0 HG LEU A 15 31.496 32.031 9.328 1.00 49.91 H new ATOM 0 HD11 LEU A 15 32.580 30.994 11.273 1.00 49.73 H new ATOM 0 HD12 LEU A 15 30.952 30.329 11.005 1.00 49.73 H new ATOM 0 HD13 LEU A 15 32.386 29.389 10.529 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.945 31.762 9.332 1.00 49.73 H new ATOM 0 HD22 LEU A 15 33.773 30.177 8.543 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.285 31.657 7.683 1.00 49.73 H new ATOM 254 N GLU A 16 31.371 28.983 5.205 1.00 49.53 N ATOM 255 CA GLU A 16 30.927 27.793 4.409 1.00 50.07 C ATOM 256 C GLU A 16 31.396 26.521 5.080 1.00 50.51 C ATOM 257 O GLU A 16 32.603 26.304 5.175 1.00 49.49 O ATOM 258 CB GLU A 16 31.463 27.869 2.977 1.00 49.82 C ATOM 259 CG GLU A 16 30.995 26.741 2.070 1.00 49.72 C ATOM 260 CD GLU A 16 31.795 26.697 0.797 1.00 50.62 C ATOM 261 OE1 GLU A 16 32.987 26.521 0.873 1.00 49.24 O ATOM 262 OE2 GLU A 16 31.201 26.723 -0.255 1.00 49.24 O ATOM 0 H GLU A 16 32.355 29.239 5.131 1.00 49.53 H new ATOM 0 HA GLU A 16 29.838 27.790 4.364 1.00 50.07 H new ATOM 0 HB2 GLU A 16 31.161 28.820 2.539 1.00 49.82 H new ATOM 0 HB3 GLU A 16 32.553 27.865 3.009 1.00 49.82 H new ATOM 0 HG2 GLU A 16 31.087 25.789 2.593 1.00 49.72 H new ATOM 0 HG3 GLU A 16 29.939 26.875 1.834 1.00 49.72 H new ATOM 269 N VAL A 17 30.404 25.819 5.605 1.00 49.53 N ATOM 270 CA VAL A 17 30.637 24.580 6.338 1.00 50.07 C ATOM 271 C VAL A 17 29.688 23.503 5.793 1.00 50.51 C ATOM 272 O VAL A 17 28.768 23.778 4.990 1.00 49.49 O ATOM 273 CB VAL A 17 30.405 24.754 7.851 1.00 49.91 C ATOM 274 CG1 VAL A 17 31.373 25.779 8.424 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.968 25.170 8.126 1.00 49.73 C ATOM 0 H VAL A 17 29.422 26.087 5.537 1.00 49.53 H new ATOM 0 HA VAL A 17 31.678 24.287 6.198 1.00 50.07 H new ATOM 0 HB VAL A 17 30.586 23.796 8.339 1.00 49.91 H new ATOM 0 HG11 VAL A 17 31.195 25.889 9.494 1.00 49.73 H new ATOM 0 HG12 VAL A 17 32.397 25.444 8.259 1.00 49.73 H new ATOM 0 HG13 VAL A 17 31.221 26.739 7.930 1.00 49.73 H new ATOM 0 HG21 VAL A 17 28.823 25.288 9.200 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.761 26.116 7.625 1.00 49.73 H new ATOM 0 HG23 VAL A 17 28.289 24.404 7.750 1.00 49.73 H new ATOM 285 N GLU A 18 29.931 22.319 6.312 1.00 49.53 N ATOM 286 CA GLU A 18 29.106 21.137 6.056 1.00 50.07 C ATOM 287 C GLU A 18 28.483 20.679 7.366 1.00 50.51 C ATOM 288 O GLU A 18 29.137 20.628 8.396 1.00 49.49 O ATOM 289 CB GLU A 18 29.941 20.014 5.436 1.00 49.82 C ATOM 290 CG GLU A 18 30.569 20.364 4.095 1.00 49.72 C ATOM 291 CD GLU A 18 29.542 20.373 2.996 1.00 50.62 C ATOM 292 OE1 GLU A 18 28.441 19.934 3.235 1.00 49.24 O ATOM 293 OE2 GLU A 18 29.818 20.919 1.955 1.00 49.24 O ATOM 0 H GLU A 18 30.718 22.138 6.935 1.00 49.53 H new ATOM 0 HA GLU A 18 28.319 21.393 5.346 1.00 50.07 H new ATOM 0 HB2 GLU A 18 30.732 19.739 6.133 1.00 49.82 H new ATOM 0 HB3 GLU A 18 29.309 19.135 5.309 1.00 49.82 H new ATOM 0 HG2 GLU A 18 31.045 21.342 4.158 1.00 49.72 H new ATOM 0 HG3 GLU A 18 31.352 19.643 3.858 1.00 49.72 H new ATOM 300 N PRO A 19 27.244 20.231 7.314 1.00 49.71 N ATOM 301 CA PRO A 19 26.542 19.713 8.490 1.00 50.02 C ATOM 302 C PRO A 19 27.312 18.605 9.164 1.00 50.51 C ATOM 303 O PRO A 19 27.122 18.313 10.353 1.00 49.49 O ATOM 304 CB PRO A 19 25.204 19.194 7.917 1.00 49.82 C ATOM 305 CG PRO A 19 24.987 20.074 6.732 1.00 49.82 C ATOM 306 CD PRO A 19 26.397 20.164 6.096 1.00 50.00 C ATOM 0 HA PRO A 19 26.410 20.473 9.261 1.00 50.02 H new ATOM 0 HB2 PRO A 19 25.266 18.143 7.634 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.393 19.282 8.640 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.260 19.647 6.041 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.613 21.056 7.022 1.00 49.82 H new ATOM 0 HD2 PRO A 19 26.628 19.296 5.478 1.00 50.00 H new ATOM 0 HD3 PRO A 19 26.511 21.045 5.464 1.00 50.00 H new ATOM 314 N SER A 20 28.164 17.926 8.416 1.00 49.53 N ATOM 315 CA SER A 20 28.917 16.794 8.980 1.00 50.07 C ATOM 316 C SER A 20 30.048 17.382 9.791 1.00 50.51 C ATOM 317 O SER A 20 30.633 16.644 10.602 1.00 49.49 O ATOM 318 CB SER A 20 29.439 15.891 7.881 1.00 50.05 C ATOM 319 OG SER A 20 28.402 15.273 7.169 1.00 49.34 O ATOM 0 H SER A 20 28.357 18.125 7.434 1.00 49.53 H new ATOM 0 HA SER A 20 28.277 16.175 9.609 1.00 50.07 H new ATOM 0 HB2 SER A 20 30.052 16.474 7.194 1.00 50.05 H new ATOM 0 HB3 SER A 20 30.085 15.128 8.316 1.00 50.05 H new ATOM 0 HG SER A 20 28.781 14.701 6.469 1.00 49.34 H new ATOM 325 N ASP A 21 30.435 18.619 9.474 1.00 49.53 N ATOM 326 CA ASP A 21 31.563 19.203 10.247 1.00 50.07 C ATOM 327 C ASP A 21 31.052 19.263 11.664 1.00 50.51 C ATOM 328 O ASP A 21 29.904 19.681 11.911 1.00 49.49 O ATOM 329 CB ASP A 21 31.937 20.595 9.732 1.00 49.72 C ATOM 330 CG ASP A 21 32.540 20.606 8.334 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.230 19.673 7.998 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.183 21.465 7.562 1.00 49.24 O ATOM 0 H ASP A 21 30.029 19.208 8.747 1.00 49.53 H new ATOM 0 HA ASP A 21 32.473 18.610 10.158 1.00 50.07 H new ATOM 0 HB2 ASP A 21 31.045 21.222 9.735 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.647 21.047 10.425 1.00 49.72 H new ATOM 337 N THR A 22 31.919 18.928 12.603 1.00 49.53 N ATOM 338 CA THR A 22 31.608 19.022 14.011 1.00 50.07 C ATOM 339 C THR A 22 31.729 20.504 14.438 1.00 50.51 C ATOM 340 O THR A 22 32.312 21.305 13.702 1.00 49.49 O ATOM 341 CB THR A 22 32.553 18.159 14.868 1.00 50.14 C ATOM 342 OG1 THR A 22 33.884 18.683 14.791 1.00 49.34 O ATOM 343 CG2 THR A 22 32.550 16.718 14.379 1.00 49.73 C ATOM 0 H THR A 22 32.859 18.583 12.406 1.00 49.53 H new ATOM 0 HA THR A 22 30.596 18.651 14.169 1.00 50.07 H new ATOM 0 HB THR A 22 32.205 18.182 15.901 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.484 18.134 15.338 1.00 49.34 H new ATOM 0 HG21 THR A 22 33.223 16.123 14.996 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.541 16.312 14.448 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.884 16.685 13.342 1.00 49.73 H new ATOM 351 N ILE A 23 31.168 20.756 15.621 1.00 49.53 N ATOM 352 CA ILE A 23 31.263 22.081 16.229 1.00 50.07 C ATOM 353 C ILE A 23 32.717 22.504 16.446 1.00 50.51 C ATOM 354 O ILE A 23 33.066 23.698 16.448 1.00 49.49 O ATOM 355 CB ILE A 23 30.518 22.136 17.575 1.00 49.91 C ATOM 356 CG1 ILE A 23 29.006 22.064 17.351 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.888 23.400 18.336 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.459 23.195 16.511 1.00 49.73 C ATOM 0 H ILE A 23 30.650 20.070 16.170 1.00 49.53 H new ATOM 0 HA ILE A 23 30.795 22.774 15.530 1.00 50.07 H new ATOM 0 HB ILE A 23 30.818 21.276 18.173 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.764 21.116 16.869 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.504 22.067 18.319 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.353 23.423 19.285 1.00 49.73 H new ATOM 0 HG22 ILE A 23 31.962 23.410 18.525 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.615 24.274 17.744 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.382 23.075 16.396 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.668 24.146 17.001 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.932 23.181 15.529 1.00 49.73 H new ATOM 370 N GLU A 24 33.561 21.552 16.769 1.00 49.53 N ATOM 371 CA GLU A 24 35.021 21.858 16.938 1.00 50.07 C ATOM 372 C GLU A 24 35.451 22.470 15.629 1.00 50.51 C ATOM 373 O GLU A 24 36.192 23.482 15.596 1.00 49.49 O ATOM 374 CB GLU A 24 35.824 20.593 17.247 1.00 49.82 C ATOM 375 CG GLU A 24 37.334 20.778 17.199 1.00 49.72 C ATOM 376 CD GLU A 24 38.046 19.653 17.896 1.00 50.62 C ATOM 377 OE1 GLU A 24 37.824 18.521 17.536 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.894 19.928 18.712 1.00 49.24 O ATOM 0 H GLU A 24 33.304 20.577 16.923 1.00 49.53 H new ATOM 0 HA GLU A 24 35.196 22.531 17.777 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.546 20.234 18.238 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.543 19.816 16.536 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.663 20.831 16.161 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.601 21.725 17.667 1.00 49.72 H new ATOM 385 N ASN A 25 35.041 21.863 14.526 1.00 49.53 N ATOM 386 CA ASN A 25 35.366 22.308 13.166 1.00 50.07 C ATOM 387 C ASN A 25 34.935 23.753 12.913 1.00 50.51 C ATOM 388 O ASN A 25 35.701 24.557 12.343 1.00 49.49 O ATOM 389 CB ASN A 25 34.750 21.391 12.125 1.00 49.82 C ATOM 390 CG ASN A 25 35.427 20.053 12.020 1.00 50.55 C ATOM 391 OD1 ASN A 25 36.484 19.821 12.618 1.00 49.45 O ATOM 392 ND2 ASN A 25 34.867 19.200 11.201 1.00 49.38 N ATOM 0 H ASN A 25 34.458 21.026 14.545 1.00 49.53 H new ATOM 0 HA ASN A 25 36.451 22.263 13.076 1.00 50.07 H new ATOM 0 HB2 ASN A 25 33.698 21.238 12.366 1.00 49.82 H new ATOM 0 HB3 ASN A 25 34.786 21.883 11.153 1.00 49.82 H new ATOM 0 HD21 ASN A 25 35.304 18.294 11.031 1.00 49.38 H new ATOM 0 HD22 ASN A 25 33.994 19.441 10.732 1.00 49.38 H new ATOM 399 N VAL A 26 33.710 24.032 13.330 1.00 49.53 N ATOM 400 CA VAL A 26 33.165 25.378 13.187 1.00 50.07 C ATOM 401 C VAL A 26 33.957 26.432 13.956 1.00 50.51 C ATOM 402 O VAL A 26 34.253 27.515 13.440 1.00 49.49 O ATOM 403 CB VAL A 26 31.695 25.436 13.642 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.243 26.880 13.802 1.00 49.73 C ATOM 405 CG2 VAL A 26 30.802 24.707 12.651 1.00 49.73 C ATOM 0 H VAL A 26 33.080 23.357 13.764 1.00 49.53 H new ATOM 0 HA VAL A 26 33.239 25.608 12.124 1.00 50.07 H new ATOM 0 HB VAL A 26 31.614 24.940 14.609 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.202 26.902 14.124 1.00 49.73 H new ATOM 0 HG12 VAL A 26 31.864 27.375 14.548 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.339 27.399 12.848 1.00 49.73 H new ATOM 0 HG21 VAL A 26 29.767 24.758 12.988 1.00 49.73 H new ATOM 0 HG22 VAL A 26 30.888 25.176 11.671 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.110 23.664 12.582 1.00 49.73 H new ATOM 415 N LYS A 27 34.363 26.078 15.170 1.00 49.53 N ATOM 416 CA LYS A 27 35.130 27.009 16.009 1.00 50.07 C ATOM 417 C LYS A 27 36.525 27.093 15.411 1.00 50.51 C ATOM 418 O LYS A 27 37.246 28.084 15.688 1.00 49.49 O ATOM 419 CB LYS A 27 35.187 26.526 17.459 1.00 49.82 C ATOM 420 CG LYS A 27 33.861 26.612 18.202 1.00 49.82 C ATOM 421 CD LYS A 27 34.043 26.357 19.691 1.00 49.82 C ATOM 422 CE LYS A 27 32.714 26.421 20.431 1.00 50.21 C ATOM 423 NZ LYS A 27 32.874 26.148 21.885 1.00 49.70 N ATOM 0 H LYS A 27 34.181 25.169 15.596 1.00 49.53 H new ATOM 0 HA LYS A 27 34.655 27.990 16.027 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.530 25.492 17.472 1.00 49.82 H new ATOM 0 HB3 LYS A 27 35.930 27.115 17.997 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.421 27.598 18.051 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.163 25.884 17.789 1.00 49.82 H new ATOM 0 HD2 LYS A 27 34.498 25.378 19.841 1.00 49.82 H new ATOM 0 HD3 LYS A 27 34.729 27.095 20.107 1.00 49.82 H new ATOM 0 HE2 LYS A 27 32.269 27.407 20.294 1.00 50.21 H new ATOM 0 HE3 LYS A 27 32.023 25.697 20.000 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 31.989 25.754 22.264 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 33.646 25.465 22.027 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 33.099 27.034 22.382 1.00 49.70 H new ATOM 437 N ALA A 28 36.937 26.094 14.660 1.00 49.53 N ATOM 438 CA ALA A 28 38.239 26.110 13.982 1.00 50.07 C ATOM 439 C ALA A 28 38.116 27.185 12.918 1.00 50.51 C ATOM 440 O ALA A 28 38.860 28.223 12.956 1.00 49.49 O ATOM 441 CB ALA A 28 38.566 24.736 13.366 1.00 49.73 C ATOM 0 H ALA A 28 36.391 25.248 14.496 1.00 49.53 H new ATOM 0 HA ALA A 28 39.056 26.320 14.673 1.00 50.07 H new ATOM 0 HB1 ALA A 28 39.536 24.781 12.871 1.00 49.73 H new ATOM 0 HB2 ALA A 28 38.594 23.982 14.153 1.00 49.73 H new ATOM 0 HB3 ALA A 28 37.799 24.472 12.638 1.00 49.73 H new ATOM 447 N LYS A 29 37.207 27.048 11.964 1.00 49.53 N ATOM 448 CA LYS A 29 36.977 28.098 10.952 1.00 50.07 C ATOM 449 C LYS A 29 36.957 29.544 11.483 1.00 50.51 C ATOM 450 O LYS A 29 37.557 30.488 10.916 1.00 49.49 O ATOM 451 CB LYS A 29 35.674 27.818 10.202 1.00 49.82 C ATOM 452 CG LYS A 29 35.382 28.788 9.064 1.00 49.82 C ATOM 453 CD LYS A 29 36.559 28.884 8.105 1.00 49.82 C ATOM 454 CE LYS A 29 36.751 27.590 7.330 1.00 50.21 C ATOM 455 NZ LYS A 29 37.916 27.660 6.407 1.00 49.70 N ATOM 0 H LYS A 29 36.612 26.226 11.860 1.00 49.53 H new ATOM 0 HA LYS A 29 37.843 28.044 10.293 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.711 26.806 9.800 1.00 49.82 H new ATOM 0 HB3 LYS A 29 34.847 27.849 10.911 1.00 49.82 H new ATOM 0 HG2 LYS A 29 34.495 28.460 8.523 1.00 49.82 H new ATOM 0 HG3 LYS A 29 35.161 29.774 9.472 1.00 49.82 H new ATOM 0 HD2 LYS A 29 36.396 29.706 7.408 1.00 49.82 H new ATOM 0 HD3 LYS A 29 37.467 29.114 8.663 1.00 49.82 H new ATOM 0 HE2 LYS A 29 36.892 26.766 8.030 1.00 50.21 H new ATOM 0 HE3 LYS A 29 35.849 27.372 6.759 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 38.011 26.758 5.899 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 37.771 28.429 5.723 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 38.782 27.842 6.954 1.00 49.70 H new ATOM 469 N ILE A 30 36.311 29.723 12.637 1.00 49.53 N ATOM 470 CA ILE A 30 36.238 31.072 13.226 1.00 50.07 C ATOM 471 C ILE A 30 37.644 31.485 13.685 1.00 50.51 C ATOM 472 O ILE A 30 37.913 32.698 13.844 1.00 49.49 O ATOM 473 CB ILE A 30 35.269 31.125 14.422 1.00 49.91 C ATOM 474 CG1 ILE A 30 33.829 30.904 13.952 1.00 49.82 C ATOM 475 CG2 ILE A 30 35.397 32.453 15.151 1.00 49.73 C ATOM 476 CD1 ILE A 30 32.877 30.519 15.061 1.00 49.73 C ATOM 0 H ILE A 30 35.846 28.987 13.169 1.00 49.53 H new ATOM 0 HA ILE A 30 35.861 31.759 12.468 1.00 50.07 H new ATOM 0 HB ILE A 30 35.530 30.326 15.116 1.00 49.91 H new ATOM 0 HG12 ILE A 30 33.468 31.816 13.476 1.00 49.82 H new ATOM 0 HG13 ILE A 30 33.821 30.123 13.192 1.00 49.82 H new ATOM 0 HG21 ILE A 30 34.705 32.474 15.993 1.00 49.73 H new ATOM 0 HG22 ILE A 30 36.417 32.571 15.516 1.00 49.73 H new ATOM 0 HG23 ILE A 30 35.160 33.268 14.467 1.00 49.73 H new ATOM 0 HD11 ILE A 30 31.877 30.380 14.650 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.212 29.590 15.522 1.00 49.73 H new ATOM 0 HD13 ILE A 30 32.854 31.309 15.812 1.00 49.73 H new ATOM 488 N GLN A 31 38.514 30.543 13.952 1.00 49.53 N ATOM 489 CA GLN A 31 39.888 30.948 14.386 1.00 50.07 C ATOM 490 C GLN A 31 40.654 31.261 13.091 1.00 50.51 C ATOM 491 O GLN A 31 41.240 32.338 12.833 1.00 49.49 O ATOM 492 CB GLN A 31 40.578 29.825 15.166 1.00 49.82 C ATOM 493 CG GLN A 31 42.038 30.095 15.486 1.00 49.82 C ATOM 494 CD GLN A 31 42.752 28.867 16.017 1.00 50.55 C ATOM 495 OE1 GLN A 31 42.177 27.777 16.079 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.009 29.037 16.408 1.00 49.38 N ATOM 0 H GLN A 31 38.342 29.539 13.891 1.00 49.53 H new ATOM 0 HA GLN A 31 39.855 31.807 15.056 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.038 29.660 16.098 1.00 49.82 H new ATOM 0 HB3 GLN A 31 40.509 28.902 14.590 1.00 49.82 H new ATOM 0 HG2 GLN A 31 42.545 30.446 14.587 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.103 30.896 16.222 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.445 29.957 16.339 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.539 28.248 16.778 1.00 49.38 H new ATOM 505 N ASP A 32 40.656 30.271 12.229 1.00 49.53 N ATOM 506 CA ASP A 32 41.334 30.417 10.921 1.00 50.07 C ATOM 507 C ASP A 32 41.303 31.767 10.238 1.00 50.51 C ATOM 508 O ASP A 32 42.326 32.336 9.793 1.00 49.49 O ATOM 509 CB ASP A 32 40.791 29.366 9.949 1.00 49.72 C ATOM 510 CG ASP A 32 41.087 27.927 10.350 1.00 50.62 C ATOM 511 OD1 ASP A 32 40.595 27.501 11.368 1.00 49.24 O ATOM 512 OD2 ASP A 32 41.669 27.220 9.563 1.00 49.24 O ATOM 0 H ASP A 32 40.212 29.366 12.385 1.00 49.53 H new ATOM 0 HA ASP A 32 42.385 30.282 11.177 1.00 50.07 H new ATOM 0 HB2 ASP A 32 39.712 29.492 9.863 1.00 49.72 H new ATOM 0 HB3 ASP A 32 41.213 29.549 8.961 1.00 49.72 H new ATOM 517 N LYS A 33 40.101 32.358 10.090 1.00 49.53 N ATOM 518 CA LYS A 33 40.080 33.636 9.329 1.00 50.07 C ATOM 519 C LYS A 33 40.054 34.768 10.293 1.00 50.51 C ATOM 520 O LYS A 33 41.074 35.541 10.303 1.00 49.49 O ATOM 521 CB LYS A 33 38.867 33.696 8.399 1.00 49.82 C ATOM 522 CG LYS A 33 38.817 32.583 7.360 1.00 49.82 C ATOM 523 CD LYS A 33 39.998 32.664 6.405 1.00 49.82 C ATOM 524 CE LYS A 33 39.938 31.564 5.355 1.00 50.21 C ATOM 525 NZ LYS A 33 41.118 31.595 4.448 1.00 49.70 N ATOM 0 H LYS A 33 39.208 32.018 10.446 1.00 49.53 H new ATOM 0 HA LYS A 33 40.974 33.702 8.709 1.00 50.07 H new ATOM 0 HB2 LYS A 33 37.960 33.655 9.002 1.00 49.82 H new ATOM 0 HB3 LYS A 33 38.865 34.657 7.885 1.00 49.82 H new ATOM 0 HG2 LYS A 33 38.818 31.615 7.861 1.00 49.82 H new ATOM 0 HG3 LYS A 33 37.886 32.650 6.797 1.00 49.82 H new ATOM 0 HD2 LYS A 33 40.005 33.637 5.915 1.00 49.82 H new ATOM 0 HD3 LYS A 33 40.929 32.583 6.967 1.00 49.82 H new ATOM 0 HE2 LYS A 33 39.886 30.594 5.849 1.00 50.21 H new ATOM 0 HE3 LYS A 33 39.026 31.673 4.768 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 41.038 30.830 3.748 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 41.154 32.511 3.957 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 41.987 31.466 5.004 1.00 49.70 H new ATOM 539 N GLU A 34 39.101 34.939 11.167 1.00 49.53 N ATOM 540 CA GLU A 34 39.030 36.018 12.125 1.00 50.07 C ATOM 541 C GLU A 34 40.190 36.156 13.079 1.00 50.51 C ATOM 542 O GLU A 34 40.609 37.280 13.371 1.00 49.49 O ATOM 543 CB GLU A 34 37.734 35.903 12.932 1.00 49.82 C ATOM 544 CG GLU A 34 36.475 36.254 12.151 1.00 49.72 C ATOM 545 CD GLU A 34 36.550 37.647 11.591 1.00 50.62 C ATOM 546 OE1 GLU A 34 36.914 38.541 12.318 1.00 49.24 O ATOM 547 OE2 GLU A 34 36.351 37.803 10.409 1.00 49.24 O ATOM 0 H GLU A 34 38.310 34.299 11.237 1.00 49.53 H new ATOM 0 HA GLU A 34 39.065 36.919 11.513 1.00 50.07 H new ATOM 0 HB2 GLU A 34 37.642 34.883 13.306 1.00 49.82 H new ATOM 0 HB3 GLU A 34 37.802 36.557 13.801 1.00 49.82 H new ATOM 0 HG2 GLU A 34 36.338 35.540 11.339 1.00 49.72 H new ATOM 0 HG3 GLU A 34 35.605 36.168 12.802 1.00 49.72 H new ATOM 554 N GLY A 35 40.663 35.052 13.634 1.00 49.53 N ATOM 555 CA GLY A 35 41.811 35.046 14.502 1.00 49.98 C ATOM 556 C GLY A 35 41.352 34.873 15.896 1.00 50.51 C ATOM 557 O GLY A 35 42.086 35.243 16.850 1.00 49.49 O ATOM 0 H GLY A 35 40.251 34.130 13.488 1.00 49.53 H new ATOM 0 HA2 GLY A 35 42.490 34.239 14.225 1.00 49.98 H new ATOM 0 HA3 GLY A 35 42.366 35.978 14.400 1.00 49.98 H new ATOM 561 N ILE A 36 40.157 34.294 16.098 1.00 49.53 N ATOM 562 CA ILE A 36 39.685 34.106 17.479 1.00 50.07 C ATOM 563 C ILE A 36 39.931 32.662 17.880 1.00 50.51 C ATOM 564 O ILE A 36 39.352 31.732 17.293 1.00 49.49 O ATOM 565 CB ILE A 36 38.188 34.435 17.625 1.00 49.91 C ATOM 566 CG1 ILE A 36 37.901 35.854 17.128 1.00 49.82 C ATOM 567 CG2 ILE A 36 37.745 34.273 19.071 1.00 49.73 C ATOM 568 CD1 ILE A 36 36.427 36.178 17.020 1.00 49.73 C ATOM 0 H ILE A 36 39.529 33.963 15.366 1.00 49.53 H new ATOM 0 HA ILE A 36 40.233 34.789 18.128 1.00 50.07 H new ATOM 0 HB ILE A 36 37.619 33.735 17.013 1.00 49.91 H new ATOM 0 HG12 ILE A 36 38.371 36.568 17.804 1.00 49.82 H new ATOM 0 HG13 ILE A 36 38.365 35.987 16.151 1.00 49.82 H new ATOM 0 HG21 ILE A 36 36.684 34.510 19.155 1.00 49.73 H new ATOM 0 HG22 ILE A 36 37.914 33.245 19.390 1.00 49.73 H new ATOM 0 HG23 ILE A 36 38.319 34.949 19.705 1.00 49.73 H new ATOM 0 HD11 ILE A 36 36.304 37.200 16.662 1.00 49.73 H new ATOM 0 HD12 ILE A 36 35.953 35.489 16.321 1.00 49.73 H new ATOM 0 HD13 ILE A 36 35.960 36.079 18.000 1.00 49.73 H new ATOM 580 N PRO A 37 40.768 32.451 18.890 1.00 49.71 N ATOM 581 CA PRO A 37 41.077 31.110 19.414 1.00 50.02 C ATOM 582 C PRO A 37 39.813 30.395 19.851 1.00 50.51 C ATOM 583 O PRO A 37 38.975 31.035 20.542 1.00 49.49 O ATOM 584 CB PRO A 37 41.936 31.481 20.661 1.00 49.82 C ATOM 585 CG PRO A 37 42.622 32.750 20.247 1.00 49.82 C ATOM 586 CD PRO A 37 41.484 33.541 19.619 1.00 50.00 C ATOM 0 HA PRO A 37 41.559 30.446 18.696 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.317 31.629 21.546 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.654 30.697 20.902 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.060 33.272 21.098 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.428 32.564 19.538 1.00 49.82 H new ATOM 0 HD2 PRO A 37 40.854 34.025 20.365 1.00 50.00 H new ATOM 0 HD3 PRO A 37 41.842 34.323 18.949 1.00 50.00 H new ATOM 594 N PRO A 38 39.661 29.131 19.541 1.00 49.71 N ATOM 595 CA PRO A 38 38.443 28.403 19.932 1.00 50.02 C ATOM 596 C PRO A 38 38.185 28.421 21.415 1.00 50.51 C ATOM 597 O PRO A 38 37.016 28.417 21.890 1.00 49.49 O ATOM 598 CB PRO A 38 38.647 27.015 19.333 1.00 49.82 C ATOM 599 CG PRO A 38 39.532 27.290 18.121 1.00 49.82 C ATOM 600 CD PRO A 38 40.555 28.279 18.718 1.00 50.00 C ATOM 0 HA PRO A 38 37.532 28.868 19.555 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.128 26.338 20.039 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.701 26.556 19.046 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.007 26.384 17.744 1.00 49.82 H new ATOM 0 HG3 PRO A 38 38.973 27.726 17.293 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.316 27.777 19.316 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.078 28.848 17.950 1.00 50.00 H new ATOM 608 N ASP A 39 39.219 28.445 22.221 1.00 49.53 N ATOM 609 CA ASP A 39 39.045 28.407 23.698 1.00 50.07 C ATOM 610 C ASP A 39 38.279 29.639 24.164 1.00 50.51 C ATOM 611 O ASP A 39 37.681 29.690 25.275 1.00 49.49 O ATOM 612 CB ASP A 39 40.403 28.328 24.401 1.00 49.72 C ATOM 613 CG ASP A 39 41.183 27.051 24.119 1.00 50.62 C ATOM 614 OD1 ASP A 39 40.570 26.064 23.788 1.00 49.24 O ATOM 615 OD2 ASP A 39 42.389 27.112 24.083 1.00 49.24 O ATOM 0 H ASP A 39 40.189 28.490 21.908 1.00 49.53 H new ATOM 0 HA ASP A 39 38.474 27.516 23.958 1.00 50.07 H new ATOM 0 HB2 ASP A 39 41.007 29.183 24.096 1.00 49.72 H new ATOM 0 HB3 ASP A 39 40.248 28.415 25.476 1.00 49.72 H new ATOM 620 N GLN A 40 38.182 30.638 23.302 1.00 49.53 N ATOM 621 CA GLN A 40 37.427 31.858 23.675 1.00 50.07 C ATOM 622 C GLN A 40 36.035 31.902 23.017 1.00 50.51 C ATOM 623 O GLN A 40 35.419 32.961 23.005 1.00 49.49 O ATOM 624 CB GLN A 40 38.217 33.111 23.286 1.00 49.82 C ATOM 625 CG GLN A 40 39.513 33.294 24.057 1.00 49.82 C ATOM 626 CD GLN A 40 40.226 34.581 23.692 1.00 50.55 C ATOM 627 OE1 GLN A 40 39.622 35.360 22.801 1.00 49.45 O flip ATOM 628 NE2 GLN A 40 41.308 34.876 24.208 1.00 49.38 N flip ATOM 0 H GLN A 40 38.594 30.647 22.369 1.00 49.53 H new ATOM 0 HA GLN A 40 37.286 31.830 24.756 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.444 33.068 22.221 1.00 49.82 H new ATOM 0 HB3 GLN A 40 37.587 33.987 23.442 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.300 33.290 25.126 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.172 32.448 23.860 1.00 49.82 H new ATOM 0 HE21 GLN A 40 41.737 34.248 24.888 1.00 49.38 H new ATOM 0 HE22 GLN A 40 41.773 35.747 23.954 1.00 49.38 H new ATOM 637 N GLN A 41 35.558 30.787 22.510 1.00 49.53 N ATOM 638 CA GLN A 41 34.292 30.700 21.824 1.00 50.07 C ATOM 639 C GLN A 41 33.179 29.939 22.514 1.00 50.51 C ATOM 640 O GLN A 41 33.119 28.721 22.589 1.00 49.49 O ATOM 641 CB GLN A 41 34.505 30.094 20.434 1.00 49.82 C ATOM 642 CG GLN A 41 35.525 30.831 19.583 1.00 49.82 C ATOM 643 CD GLN A 41 35.750 30.163 18.241 1.00 50.55 C ATOM 644 OE1 GLN A 41 35.071 29.193 17.892 1.00 49.45 O ATOM 645 NE2 GLN A 41 36.711 30.676 17.480 1.00 49.38 N ATOM 0 H GLN A 41 36.052 29.896 22.565 1.00 49.53 H new ATOM 0 HA GLN A 41 33.945 31.733 21.795 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.823 29.058 20.547 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.551 30.079 19.906 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.189 31.856 19.424 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.471 30.886 20.121 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.248 31.479 17.808 1.00 49.38 H new ATOM 0 HE22 GLN A 41 36.912 30.267 16.567 1.00 49.38 H new ATOM 654 N ARG A 42 32.140 30.688 22.879 1.00 49.53 N ATOM 655 CA ARG A 42 30.886 30.070 23.414 1.00 50.07 C ATOM 656 C ARG A 42 29.834 30.308 22.354 1.00 50.51 C ATOM 657 O ARG A 42 29.471 31.537 22.161 1.00 49.49 O ATOM 658 CB ARG A 42 30.482 30.622 24.773 1.00 49.82 C ATOM 659 CG ARG A 42 29.323 29.897 25.439 1.00 49.82 C ATOM 660 CD ARG A 42 28.805 30.565 26.661 1.00 50.20 C ATOM 661 NE ARG A 42 29.715 30.536 27.794 1.00 49.30 N ATOM 662 CZ ARG A 42 29.809 29.520 28.675 1.00 50.64 C ATOM 663 NH1 ARG A 42 29.027 28.468 28.581 1.00 49.20 N ATOM 664 NH2 ARG A 42 30.692 29.621 29.653 1.00 49.20 N ATOM 0 H ARG A 42 32.121 31.706 22.823 1.00 49.53 H new ATOM 0 HA ARG A 42 31.027 29.006 23.602 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.346 30.582 25.437 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.216 31.673 24.658 1.00 49.82 H new ATOM 0 HG2 ARG A 42 28.510 29.799 24.720 1.00 49.82 H new ATOM 0 HG3 ARG A 42 29.642 28.888 25.698 1.00 49.82 H new ATOM 0 HD2 ARG A 42 28.574 31.603 26.422 1.00 50.20 H new ATOM 0 HD3 ARG A 42 27.868 30.089 26.951 1.00 50.20 H new ATOM 0 HE ARG A 42 30.326 31.341 27.932 1.00 49.30 H new ATOM 0 HH11 ARG A 42 28.336 28.412 27.833 1.00 49.20 H new ATOM 0 HH12 ARG A 42 29.111 27.708 29.256 1.00 49.20 H new ATOM 0 HH21 ARG A 42 31.279 30.452 29.726 1.00 49.20 H new ATOM 0 HH22 ARG A 42 30.786 28.868 30.335 1.00 49.20 H new ATOM 678 N LEU A 43 29.395 29.284 21.624 1.00 49.53 N ATOM 679 CA LEU A 43 28.404 29.487 20.537 1.00 50.07 C ATOM 680 C LEU A 43 27.012 29.066 20.998 1.00 50.51 C ATOM 681 O LEU A 43 26.890 28.019 21.648 1.00 49.49 O ATOM 682 CB LEU A 43 28.817 28.702 19.286 1.00 49.82 C ATOM 683 CG LEU A 43 30.255 28.940 18.811 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.566 28.044 17.620 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.433 30.406 18.443 1.00 49.73 C ATOM 0 H LEU A 43 29.695 28.318 21.752 1.00 49.53 H new ATOM 0 HA LEU A 43 28.376 30.547 20.286 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.689 27.638 19.485 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.136 28.959 18.474 1.00 49.82 H new ATOM 0 HG LEU A 43 30.949 28.693 19.615 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.590 28.220 17.290 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.453 27.000 17.911 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.878 28.270 16.805 1.00 49.73 H new ATOM 0 HD21 LEU A 43 31.456 30.575 18.105 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.739 30.667 17.644 1.00 49.73 H new ATOM 0 HD23 LEU A 43 30.232 31.027 19.316 1.00 49.73 H new ATOM 697 N ILE A 44 26.032 29.924 20.736 1.00 49.53 N ATOM 698 CA ILE A 44 24.651 29.701 21.151 1.00 50.07 C ATOM 699 C ILE A 44 23.656 29.509 20.014 1.00 50.51 C ATOM 700 O ILE A 44 23.663 30.205 19.020 1.00 49.49 O ATOM 701 CB ILE A 44 24.154 30.855 22.042 1.00 49.91 C ATOM 702 CG1 ILE A 44 24.908 30.865 23.374 1.00 49.82 C ATOM 703 CG2 ILE A 44 22.656 30.738 22.276 1.00 49.73 C ATOM 704 CD1 ILE A 44 24.468 31.961 24.317 1.00 49.73 C ATOM 0 H ILE A 44 26.173 30.797 20.228 1.00 49.53 H new ATOM 0 HA ILE A 44 24.687 28.760 21.700 1.00 50.07 H new ATOM 0 HB ILE A 44 24.349 31.797 21.530 1.00 49.91 H new ATOM 0 HG12 ILE A 44 24.773 29.901 23.864 1.00 49.82 H new ATOM 0 HG13 ILE A 44 25.974 30.975 23.176 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.321 31.561 22.907 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.134 30.778 21.320 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.438 29.791 22.769 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.048 31.903 25.238 1.00 49.73 H new ATOM 0 HD12 ILE A 44 24.629 32.931 23.848 1.00 49.73 H new ATOM 0 HD13 ILE A 44 23.409 31.840 24.546 1.00 49.73 H new ATOM 716 N PHE A 45 22.761 28.503 20.210 1.00 49.53 N ATOM 717 CA PHE A 45 21.699 28.216 19.234 1.00 50.07 C ATOM 718 C PHE A 45 20.348 28.026 19.948 1.00 50.51 C ATOM 719 O PHE A 45 20.143 27.102 20.735 1.00 49.49 O ATOM 720 CB PHE A 45 22.045 26.971 18.414 1.00 49.82 C ATOM 721 CG PHE A 45 21.060 26.675 17.319 1.00 50.00 C ATOM 722 CD1 PHE A 45 21.097 27.378 16.124 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.096 25.691 17.481 1.00 49.88 C ATOM 724 CE1 PHE A 45 20.191 27.105 15.116 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.191 25.415 16.475 1.00 49.88 C ATOM 726 CZ PHE A 45 19.239 26.124 15.291 1.00 49.88 C ATOM 0 H PHE A 45 22.761 27.891 21.026 1.00 49.53 H new ATOM 0 HA PHE A 45 21.618 29.066 18.556 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.035 27.099 17.975 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.101 26.111 19.082 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.842 28.147 15.979 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.053 25.134 18.405 1.00 49.88 H new ATOM 0 HE1 PHE A 45 20.229 27.661 14.191 1.00 49.88 H new ATOM 0 HE2 PHE A 45 18.446 24.645 16.614 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.532 25.910 14.503 1.00 49.88 H new ATOM 736 N ALA A 46 19.503 28.992 19.678 1.00 49.53 N ATOM 737 CA ALA A 46 18.119 29.023 20.190 1.00 50.07 C ATOM 738 C ALA A 46 18.011 28.635 21.657 1.00 50.51 C ATOM 739 O ALA A 46 17.238 27.746 22.043 1.00 49.49 O ATOM 740 CB ALA A 46 17.245 28.139 19.359 1.00 49.73 C ATOM 0 H ALA A 46 19.741 29.793 19.094 1.00 49.53 H new ATOM 0 HA ALA A 46 17.783 30.057 20.116 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.226 28.169 19.745 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.252 28.487 18.326 1.00 49.73 H new ATOM 0 HB3 ALA A 46 17.619 27.116 19.400 1.00 49.73 H new ATOM 746 N GLY A 47 18.839 29.262 22.440 1.00 49.53 N ATOM 747 CA GLY A 47 19.002 29.127 23.857 1.00 49.98 C ATOM 748 C GLY A 47 20.079 28.244 24.431 1.00 50.51 C ATOM 749 O GLY A 47 20.832 28.689 25.324 1.00 49.49 O ATOM 0 H GLY A 47 19.485 29.954 22.060 1.00 49.53 H new ATOM 0 HA2 GLY A 47 19.162 30.128 24.257 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.052 28.773 24.256 1.00 49.98 H new ATOM 753 N LYS A 48 20.223 27.047 23.931 1.00 49.53 N ATOM 754 CA LYS A 48 21.274 26.124 24.380 1.00 50.07 C ATOM 755 C LYS A 48 22.714 26.471 23.958 1.00 50.51 C ATOM 756 O LYS A 48 22.873 27.304 23.079 1.00 49.49 O ATOM 757 CB LYS A 48 20.945 24.705 23.917 1.00 49.82 C ATOM 758 CG LYS A 48 19.686 24.116 24.539 1.00 49.82 C ATOM 759 CD LYS A 48 19.549 22.635 24.216 1.00 49.82 C ATOM 760 CE LYS A 48 19.252 22.415 22.740 1.00 50.21 C ATOM 761 NZ LYS A 48 17.954 23.023 22.336 1.00 49.70 N ATOM 0 H LYS A 48 19.623 26.667 23.199 1.00 49.53 H new ATOM 0 HA LYS A 48 21.269 26.216 25.466 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.833 24.706 22.833 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.789 24.055 24.150 1.00 49.82 H new ATOM 0 HG2 LYS A 48 19.714 24.253 25.620 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.811 24.653 24.172 1.00 49.82 H new ATOM 0 HD2 LYS A 48 20.469 22.116 24.485 1.00 49.82 H new ATOM 0 HD3 LYS A 48 18.750 22.202 24.818 1.00 49.82 H new ATOM 0 HE2 LYS A 48 20.055 22.844 22.141 1.00 50.21 H new ATOM 0 HE3 LYS A 48 19.233 21.346 22.529 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 17.388 22.321 21.818 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 17.435 23.329 23.184 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 18.131 23.844 21.723 1.00 49.70 H new ATOM 775 N GLN A 49 23.691 25.845 24.556 1.00 49.53 N ATOM 776 CA GLN A 49 25.097 26.049 24.107 1.00 50.07 C ATOM 777 C GLN A 49 25.601 24.885 23.259 1.00 50.51 C ATOM 778 O GLN A 49 25.167 23.729 23.506 1.00 49.49 O ATOM 779 CB GLN A 49 26.020 26.242 25.314 1.00 49.82 C ATOM 780 CG GLN A 49 26.044 25.063 26.272 1.00 49.82 C ATOM 781 CD GLN A 49 26.749 25.391 27.575 1.00 50.55 C ATOM 782 OE1 GLN A 49 27.980 25.445 27.634 1.00 49.45 O ATOM 783 NE2 GLN A 49 25.971 25.608 28.629 1.00 49.38 N ATOM 0 H GLN A 49 23.575 25.200 25.338 1.00 49.53 H new ATOM 0 HA GLN A 49 25.109 26.946 23.488 1.00 50.07 H new ATOM 0 HB2 GLN A 49 27.033 26.427 24.957 1.00 49.82 H new ATOM 0 HB3 GLN A 49 25.707 27.133 25.859 1.00 49.82 H new ATOM 0 HG2 GLN A 49 25.022 24.750 26.484 1.00 49.82 H new ATOM 0 HG3 GLN A 49 26.543 24.220 25.794 1.00 49.82 H new ATOM 0 HE21 GLN A 49 24.957 25.553 28.534 1.00 49.38 H new ATOM 0 HE22 GLN A 49 26.387 25.830 29.533 1.00 49.38 H new ATOM 792 N LEU A 50 26.357 25.161 22.224 1.00 49.53 N ATOM 793 CA LEU A 50 26.824 24.126 21.287 1.00 50.07 C ATOM 794 C LEU A 50 27.981 23.420 21.974 1.00 50.51 C ATOM 795 O LEU A 50 28.748 24.097 22.629 1.00 49.49 O ATOM 796 CB LEU A 50 27.262 24.747 19.956 1.00 49.82 C ATOM 797 CG LEU A 50 26.202 24.734 18.848 1.00 49.91 C ATOM 798 CD1 LEU A 50 24.830 25.041 19.434 1.00 49.73 C ATOM 799 CD2 LEU A 50 26.571 25.750 17.778 1.00 49.73 C ATOM 0 H LEU A 50 26.674 26.103 21.994 1.00 49.53 H new ATOM 0 HA LEU A 50 26.027 23.423 21.046 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.563 25.779 20.137 1.00 49.82 H new ATOM 0 HB3 LEU A 50 28.144 24.216 19.599 1.00 49.82 H new ATOM 0 HG LEU A 50 26.165 23.744 18.393 1.00 49.91 H new ATOM 0 HD11 LEU A 50 24.084 25.029 18.639 1.00 49.73 H new ATOM 0 HD12 LEU A 50 24.577 24.288 20.181 1.00 49.73 H new ATOM 0 HD13 LEU A 50 24.846 26.025 19.902 1.00 49.73 H new ATOM 0 HD21 LEU A 50 25.817 25.740 16.991 1.00 49.73 H new ATOM 0 HD22 LEU A 50 26.619 26.744 18.222 1.00 49.73 H new ATOM 0 HD23 LEU A 50 27.542 25.495 17.353 1.00 49.73 H new ATOM 811 N GLU A 51 28.096 22.105 21.784 1.00 49.53 N ATOM 812 CA GLU A 51 29.165 21.338 22.459 1.00 50.07 C ATOM 813 C GLU A 51 30.040 20.682 21.426 1.00 50.51 C ATOM 814 O GLU A 51 29.515 20.108 20.474 1.00 49.49 O ATOM 815 CB GLU A 51 28.568 20.289 23.398 1.00 49.82 C ATOM 816 CG GLU A 51 27.791 20.865 24.573 1.00 49.72 C ATOM 817 CD GLU A 51 27.318 19.781 25.501 1.00 50.62 C ATOM 818 OE1 GLU A 51 26.640 18.890 25.047 1.00 49.24 O ATOM 819 OE2 GLU A 51 27.727 19.780 26.638 1.00 49.24 O ATOM 0 H GLU A 51 27.483 21.552 21.185 1.00 49.53 H new ATOM 0 HA GLU A 51 29.767 22.021 23.058 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.906 19.640 22.824 1.00 49.82 H new ATOM 0 HB3 GLU A 51 29.373 19.663 23.783 1.00 49.82 H new ATOM 0 HG2 GLU A 51 28.422 21.565 25.120 1.00 49.72 H new ATOM 0 HG3 GLU A 51 26.935 21.429 24.204 1.00 49.72 H new ATOM 826 N ASP A 52 31.342 20.728 21.555 1.00 49.53 N ATOM 827 CA ASP A 52 32.321 20.219 20.599 1.00 50.07 C ATOM 828 C ASP A 52 31.997 18.854 20.015 1.00 50.51 C ATOM 829 O ASP A 52 32.465 18.557 18.881 1.00 49.49 O ATOM 830 CB ASP A 52 33.708 20.177 21.246 1.00 49.72 C ATOM 831 CG ASP A 52 34.115 21.468 21.943 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.662 21.697 23.040 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.992 22.135 21.448 1.00 49.24 O ATOM 0 H ASP A 52 31.783 21.144 22.375 1.00 49.53 H new ATOM 0 HA ASP A 52 32.294 20.916 19.762 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.733 19.363 21.971 1.00 49.72 H new ATOM 0 HB3 ASP A 52 34.447 19.944 20.479 1.00 49.72 H new ATOM 838 N GLY A 53 31.373 17.991 20.785 1.00 49.53 N ATOM 839 CA GLY A 53 31.041 16.610 20.388 1.00 49.98 C ATOM 840 C GLY A 53 29.686 16.476 19.776 1.00 50.51 C ATOM 841 O GLY A 53 29.162 15.348 19.620 1.00 49.49 O ATOM 0 H GLY A 53 31.068 18.220 21.731 1.00 49.53 H new ATOM 0 HA2 GLY A 53 31.788 16.255 19.678 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.101 15.964 21.264 1.00 49.98 H new ATOM 845 N ARG A 54 29.046 17.567 19.373 1.00 49.53 N ATOM 846 CA ARG A 54 27.737 17.507 18.690 1.00 50.07 C ATOM 847 C ARG A 54 28.095 17.969 17.285 1.00 50.51 C ATOM 848 O ARG A 54 29.040 18.762 17.098 1.00 49.49 O ATOM 849 CB ARG A 54 26.667 18.364 19.349 1.00 49.82 C ATOM 850 CG ARG A 54 26.114 17.807 20.651 1.00 49.82 C ATOM 851 CD ARG A 54 25.415 16.504 20.512 1.00 50.20 C ATOM 852 NE ARG A 54 24.911 15.955 21.760 1.00 49.30 N ATOM 853 CZ ARG A 54 24.226 14.800 21.866 1.00 50.64 C ATOM 854 NH1 ARG A 54 23.929 14.088 20.800 1.00 49.20 N ATOM 855 NH2 ARG A 54 23.838 14.411 23.068 1.00 49.20 N ATOM 0 H ARG A 54 29.405 18.513 19.503 1.00 49.53 H new ATOM 0 HA ARG A 54 27.282 16.517 18.720 1.00 50.07 H new ATOM 0 HB2 ARG A 54 27.082 19.354 19.541 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.843 18.494 18.647 1.00 49.82 H new ATOM 0 HG2 ARG A 54 26.934 17.692 21.360 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.422 18.533 21.078 1.00 49.82 H new ATOM 0 HD2 ARG A 54 24.582 16.625 19.820 1.00 50.20 H new ATOM 0 HD3 ARG A 54 26.100 15.784 20.063 1.00 50.20 H new ATOM 0 HE ARG A 54 25.088 16.481 22.616 1.00 49.30 H new ATOM 0 HH11 ARG A 54 24.218 14.408 19.876 1.00 49.20 H new ATOM 0 HH12 ARG A 54 23.410 13.216 20.898 1.00 49.20 H new ATOM 0 HH21 ARG A 54 24.059 14.981 23.885 1.00 49.20 H new ATOM 0 HH22 ARG A 54 23.318 13.541 23.179 1.00 49.20 H new ATOM 869 N THR A 55 27.306 17.567 16.318 1.00 49.53 N ATOM 870 CA THR A 55 27.462 17.966 14.901 1.00 50.07 C ATOM 871 C THR A 55 26.485 19.104 14.522 1.00 50.51 C ATOM 872 O THR A 55 25.636 19.483 15.322 1.00 49.49 O ATOM 873 CB THR A 55 27.238 16.775 13.952 1.00 50.14 C ATOM 874 OG1 THR A 55 25.843 16.444 13.918 1.00 49.34 O ATOM 875 CG2 THR A 55 28.032 15.564 14.418 1.00 49.73 C ATOM 0 H THR A 55 26.516 16.941 16.476 1.00 49.53 H new ATOM 0 HA THR A 55 28.486 18.323 14.790 1.00 50.07 H new ATOM 0 HB THR A 55 27.577 17.056 12.955 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.701 15.687 13.312 1.00 49.34 H new ATOM 0 HG21 THR A 55 27.861 14.732 13.735 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.094 15.809 14.433 1.00 49.73 H new ATOM 0 HG23 THR A 55 27.711 15.282 15.421 1.00 49.73 H new ATOM 883 N LEU A 56 26.638 19.604 13.313 1.00 49.53 N ATOM 884 CA LEU A 56 25.752 20.650 12.774 1.00 50.07 C ATOM 885 C LEU A 56 24.382 20.003 12.597 1.00 50.51 C ATOM 886 O LEU A 56 23.410 20.613 12.955 1.00 49.49 O ATOM 887 CB LEU A 56 26.288 21.189 11.441 1.00 49.82 C ATOM 888 CG LEU A 56 26.886 22.600 11.501 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.712 22.764 12.770 1.00 49.73 C ATOM 890 CD2 LEU A 56 27.741 22.843 10.266 1.00 49.73 C ATOM 0 H LEU A 56 27.371 19.308 12.669 1.00 49.53 H new ATOM 0 HA LEU A 56 25.695 21.504 13.449 1.00 50.07 H new ATOM 0 HB2 LEU A 56 27.051 20.504 11.071 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.476 21.186 10.713 1.00 49.82 H new ATOM 0 HG LEU A 56 26.081 23.335 11.521 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.132 23.769 12.803 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.076 22.608 13.641 1.00 49.73 H new ATOM 0 HD13 LEU A 56 28.520 22.033 12.775 1.00 49.73 H new ATOM 0 HD21 LEU A 56 28.166 23.846 10.309 1.00 49.73 H new ATOM 0 HD22 LEU A 56 28.546 22.109 10.231 1.00 49.73 H new ATOM 0 HD23 LEU A 56 27.124 22.748 9.372 1.00 49.73 H new ATOM 902 N SER A 57 24.352 18.729 12.156 1.00 49.53 N ATOM 903 CA SER A 57 23.019 18.102 11.973 1.00 50.07 C ATOM 904 C SER A 57 22.196 17.823 13.211 1.00 50.51 C ATOM 905 O SER A 57 20.934 17.733 13.134 1.00 49.49 O ATOM 906 CB SER A 57 23.182 16.814 11.189 1.00 50.05 C ATOM 907 OG SER A 57 21.959 16.164 10.982 1.00 49.34 O ATOM 0 H SER A 57 25.161 18.149 11.934 1.00 49.53 H new ATOM 0 HA SER A 57 22.445 18.863 11.444 1.00 50.07 H new ATOM 0 HB2 SER A 57 23.643 17.032 10.226 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.860 16.148 11.723 1.00 50.05 H new ATOM 0 HG SER A 57 22.108 15.340 10.472 1.00 49.34 H new ATOM 913 N ASP A 58 22.848 17.715 14.355 1.00 49.53 N ATOM 914 CA ASP A 58 22.137 17.447 15.633 1.00 50.07 C ATOM 915 C ASP A 58 21.169 18.529 16.121 1.00 50.51 C ATOM 916 O ASP A 58 20.154 18.266 16.774 1.00 49.49 O ATOM 917 CB ASP A 58 23.157 17.156 16.737 1.00 49.72 C ATOM 918 CG ASP A 58 23.854 15.808 16.609 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.241 14.889 16.121 1.00 49.24 O ATOM 920 OD2 ASP A 58 25.035 15.748 16.852 1.00 49.24 O ATOM 0 H ASP A 58 23.860 17.805 14.445 1.00 49.53 H new ATOM 0 HA ASP A 58 21.505 16.587 15.411 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.911 17.943 16.735 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.652 17.200 17.702 1.00 49.72 H new ATOM 925 N TYR A 59 21.582 19.754 15.959 1.00 49.53 N ATOM 926 CA TYR A 59 20.812 20.937 16.339 1.00 50.07 C ATOM 927 C TYR A 59 19.782 21.407 15.337 1.00 50.51 C ATOM 928 O TYR A 59 19.153 22.452 15.597 1.00 49.49 O ATOM 929 CB TYR A 59 21.765 22.092 16.657 1.00 49.82 C ATOM 930 CG TYR A 59 22.462 21.960 17.994 1.00 50.00 C ATOM 931 CD1 TYR A 59 21.809 22.285 19.172 1.00 49.88 C ATOM 932 CD2 TYR A 59 23.773 21.511 18.072 1.00 49.88 C ATOM 933 CE1 TYR A 59 22.440 22.168 20.395 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.415 21.389 19.289 1.00 49.88 C ATOM 935 CZ TYR A 59 23.744 21.718 20.450 1.00 50.11 C ATOM 936 OH TYR A 59 24.378 21.600 21.665 1.00 49.46 O ATOM 0 H TYR A 59 22.488 19.979 15.548 1.00 49.53 H new ATOM 0 HA TYR A 59 20.240 20.624 17.213 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.517 22.157 15.871 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.205 23.027 16.641 1.00 49.82 H new ATOM 0 HD1 TYR A 59 20.788 22.636 19.133 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.300 21.253 17.166 1.00 49.88 H new ATOM 0 HE1 TYR A 59 21.916 22.427 21.303 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.436 21.038 19.332 1.00 49.88 H new ATOM 0 HH TYR A 59 24.412 22.476 22.103 1.00 49.46 H new ATOM 946 N ASN A 60 19.530 20.726 14.239 1.00 49.53 N ATOM 947 CA ASN A 60 18.513 21.223 13.288 1.00 50.07 C ATOM 948 C ASN A 60 18.959 22.609 12.841 1.00 50.51 C ATOM 949 O ASN A 60 18.131 23.509 12.601 1.00 49.49 O ATOM 950 CB ASN A 60 17.128 21.271 13.907 1.00 49.82 C ATOM 951 CG ASN A 60 16.455 19.929 13.988 1.00 50.55 C ATOM 952 OD1 ASN A 60 16.286 19.234 12.978 1.00 49.45 O ATOM 953 ND2 ASN A 60 15.997 19.596 15.167 1.00 49.38 N ATOM 0 H ASN A 60 19.988 19.854 13.973 1.00 49.53 H new ATOM 0 HA ASN A 60 18.437 20.544 12.439 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.202 21.691 14.910 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.502 21.947 13.324 1.00 49.82 H new ATOM 0 HD21 ASN A 60 15.474 18.728 15.284 1.00 49.38 H new ATOM 0 HD22 ASN A 60 16.163 20.204 15.969 1.00 49.38 H new ATOM 960 N ILE A 61 20.251 22.786 12.649 1.00 49.53 N ATOM 961 CA ILE A 61 20.788 24.077 12.123 1.00 50.07 C ATOM 962 C ILE A 61 20.451 24.169 10.638 1.00 50.51 C ATOM 963 O ILE A 61 20.931 23.244 9.917 1.00 49.49 O ATOM 964 CB ILE A 61 22.312 24.188 12.316 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.655 24.303 13.804 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.859 25.380 11.547 1.00 49.73 C ATOM 967 CD1 ILE A 61 24.134 24.197 14.099 1.00 49.73 C ATOM 0 H ILE A 61 20.960 22.078 12.839 1.00 49.53 H new ATOM 0 HA ILE A 61 20.330 24.896 12.678 1.00 50.07 H new ATOM 0 HB ILE A 61 22.778 23.284 11.925 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.287 25.258 14.180 1.00 49.82 H new ATOM 0 HG13 ILE A 61 22.128 23.521 14.350 1.00 49.82 H new ATOM 0 HG21 ILE A 61 23.937 25.444 11.694 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.644 25.258 10.485 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.388 26.294 11.910 1.00 49.73 H new ATOM 0 HD11 ILE A 61 24.298 24.288 15.173 1.00 49.73 H new ATOM 0 HD12 ILE A 61 24.505 23.232 13.755 1.00 49.73 H new ATOM 0 HD13 ILE A 61 24.666 24.995 13.582 1.00 49.73 H new ATOM 979 N GLN A 62 19.680 25.137 10.230 1.00 49.53 N ATOM 980 CA GLN A 62 19.225 25.290 8.817 1.00 50.07 C ATOM 981 C GLN A 62 20.064 26.203 7.919 1.00 50.51 C ATOM 982 O GLN A 62 21.131 26.676 8.347 1.00 49.49 O ATOM 983 CB GLN A 62 17.775 25.782 8.795 1.00 49.82 C ATOM 984 CG GLN A 62 16.759 24.744 9.240 1.00 49.82 C ATOM 985 CD GLN A 62 16.777 23.504 8.367 1.00 50.55 C ATOM 986 OE1 GLN A 62 16.921 22.382 8.862 1.00 49.45 O ATOM 987 NE2 GLN A 62 16.637 23.698 7.062 1.00 49.38 N ATOM 0 H GLN A 62 19.329 25.866 10.851 1.00 49.53 H new ATOM 0 HA GLN A 62 19.340 24.292 8.394 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.690 26.657 9.439 1.00 49.82 H new ATOM 0 HB3 GLN A 62 17.528 26.106 7.784 1.00 49.82 H new ATOM 0 HG2 GLN A 62 16.962 24.461 10.273 1.00 49.82 H new ATOM 0 HG3 GLN A 62 15.762 25.184 9.220 1.00 49.82 H new ATOM 0 HE21 GLN A 62 16.521 24.643 6.697 1.00 49.38 H new ATOM 0 HE22 GLN A 62 16.646 22.902 6.424 1.00 49.38 H new ATOM 996 N LYS A 63 19.629 26.421 6.680 1.00 49.53 N ATOM 997 CA LYS A 63 20.369 27.212 5.721 1.00 50.07 C ATOM 998 C LYS A 63 20.264 28.671 6.158 1.00 50.51 C ATOM 999 O LYS A 63 19.272 29.137 6.695 1.00 49.49 O ATOM 1000 CB LYS A 63 19.813 27.025 4.308 1.00 49.82 C ATOM 1001 CG LYS A 63 18.413 27.590 4.103 1.00 49.82 C ATOM 1002 CD LYS A 63 17.939 27.388 2.672 1.00 49.82 C ATOM 1003 CE LYS A 63 16.552 27.978 2.460 1.00 50.21 C ATOM 1004 NZ LYS A 63 16.028 27.689 1.097 1.00 49.70 N ATOM 0 H LYS A 63 18.750 26.050 6.320 1.00 49.53 H new ATOM 0 HA LYS A 63 21.412 26.895 5.693 1.00 50.07 H new ATOM 0 HB2 LYS A 63 20.491 27.499 3.598 1.00 49.82 H new ATOM 0 HB3 LYS A 63 19.800 25.961 4.074 1.00 49.82 H new ATOM 0 HG2 LYS A 63 17.719 27.106 4.790 1.00 49.82 H new ATOM 0 HG3 LYS A 63 18.409 28.653 4.343 1.00 49.82 H new ATOM 0 HD2 LYS A 63 18.644 27.855 1.984 1.00 49.82 H new ATOM 0 HD3 LYS A 63 17.923 26.323 2.439 1.00 49.82 H new ATOM 0 HE2 LYS A 63 15.868 27.573 3.205 1.00 50.21 H new ATOM 0 HE3 LYS A 63 16.589 29.056 2.614 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 15.082 28.108 0.993 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 16.667 28.097 0.386 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 15.968 26.660 0.959 1.00 49.70 H new ATOM 1018 N GLU A 64 21.399 29.352 5.946 1.00 49.53 N ATOM 1019 CA GLU A 64 21.599 30.746 6.247 1.00 50.07 C ATOM 1020 C GLU A 64 21.141 31.240 7.587 1.00 50.51 C ATOM 1021 O GLU A 64 20.945 32.460 7.820 1.00 49.49 O ATOM 1022 CB GLU A 64 20.948 31.601 5.157 1.00 49.82 C ATOM 1023 CG GLU A 64 21.501 31.364 3.759 1.00 49.72 C ATOM 1024 CD GLU A 64 21.062 32.443 2.808 1.00 50.62 C ATOM 1025 OE1 GLU A 64 21.516 33.553 2.948 1.00 49.24 O ATOM 1026 OE2 GLU A 64 20.360 32.134 1.874 1.00 49.24 O ATOM 0 H GLU A 64 22.227 28.913 5.543 1.00 49.53 H new ATOM 0 HA GLU A 64 22.684 30.846 6.282 1.00 50.07 H new ATOM 0 HB2 GLU A 64 19.876 31.404 5.149 1.00 49.82 H new ATOM 0 HB3 GLU A 64 21.076 32.653 5.412 1.00 49.82 H new ATOM 0 HG2 GLU A 64 22.590 31.331 3.797 1.00 49.72 H new ATOM 0 HG3 GLU A 64 21.165 30.394 3.392 1.00 49.72 H new ATOM 1033 N SER A 65 21.107 30.318 8.536 1.00 49.53 N ATOM 1034 CA SER A 65 20.797 30.612 9.941 1.00 50.07 C ATOM 1035 C SER A 65 22.030 31.346 10.519 1.00 50.51 C ATOM 1036 O SER A 65 23.132 31.206 9.999 1.00 49.49 O ATOM 1037 CB SER A 65 20.505 29.337 10.708 1.00 50.05 C ATOM 1038 OG SER A 65 19.547 28.543 10.064 1.00 49.34 O ATOM 0 H SER A 65 21.295 29.331 8.358 1.00 49.53 H new ATOM 0 HA SER A 65 19.905 31.232 10.026 1.00 50.07 H new ATOM 0 HB2 SER A 65 21.426 28.767 10.828 1.00 50.05 H new ATOM 0 HB3 SER A 65 20.154 29.589 11.709 1.00 50.05 H new ATOM 0 HG SER A 65 19.155 27.916 10.708 1.00 49.34 H new ATOM 1044 N THR A 66 21.819 32.159 11.520 1.00 49.53 N ATOM 1045 CA THR A 66 22.905 32.853 12.220 1.00 50.07 C ATOM 1046 C THR A 66 23.121 32.269 13.616 1.00 50.51 C ATOM 1047 O THR A 66 22.133 31.788 14.216 1.00 49.49 O ATOM 1048 CB THR A 66 22.625 34.363 12.344 1.00 50.14 C ATOM 1049 OG1 THR A 66 22.651 34.964 11.043 1.00 49.34 O ATOM 1050 CG2 THR A 66 23.667 35.028 13.228 1.00 49.73 C ATOM 0 H THR A 66 20.891 32.370 11.886 1.00 49.53 H new ATOM 0 HA THR A 66 23.806 32.709 11.624 1.00 50.07 H new ATOM 0 HB THR A 66 21.642 34.500 12.795 1.00 50.14 H new ATOM 0 HG1 THR A 66 22.471 35.924 11.123 1.00 49.34 H new ATOM 0 HG21 THR A 66 23.453 36.094 13.304 1.00 49.73 H new ATOM 0 HG22 THR A 66 23.640 34.581 14.222 1.00 49.73 H new ATOM 0 HG23 THR A 66 24.657 34.887 12.793 1.00 49.73 H new ATOM 1058 N LEU A 67 24.370 32.244 14.092 1.00 49.53 N ATOM 1059 CA LEU A 67 24.630 31.796 15.466 1.00 50.07 C ATOM 1060 C LEU A 67 25.230 32.952 16.292 1.00 50.51 C ATOM 1061 O LEU A 67 25.716 33.874 15.617 1.00 49.49 O ATOM 1062 CB LEU A 67 25.575 30.586 15.464 1.00 49.82 C ATOM 1063 CG LEU A 67 25.185 29.455 14.505 1.00 49.91 C ATOM 1064 CD1 LEU A 67 26.117 28.266 14.694 1.00 49.73 C ATOM 1065 CD2 LEU A 67 23.739 29.052 14.754 1.00 49.73 C ATOM 0 H LEU A 67 25.198 32.520 13.564 1.00 49.53 H new ATOM 0 HA LEU A 67 23.688 31.493 15.923 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.578 30.929 15.208 1.00 49.82 H new ATOM 0 HB3 LEU A 67 25.625 30.182 16.475 1.00 49.82 H new ATOM 0 HG LEU A 67 25.279 29.802 13.476 1.00 49.91 H new ATOM 0 HD11 LEU A 67 25.832 27.468 14.009 1.00 49.73 H new ATOM 0 HD12 LEU A 67 27.143 28.572 14.489 1.00 49.73 H new ATOM 0 HD13 LEU A 67 26.044 27.906 15.720 1.00 49.73 H new ATOM 0 HD21 LEU A 67 23.463 28.248 14.072 1.00 49.73 H new ATOM 0 HD22 LEU A 67 23.629 28.709 15.783 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.088 29.910 14.586 1.00 49.73 H new ATOM 1077 N HIS A 68 25.101 32.908 17.570 1.00 49.53 N ATOM 1078 CA HIS A 68 25.705 33.979 18.400 1.00 50.07 C ATOM 1079 C HIS A 68 27.085 33.471 18.813 1.00 50.51 C ATOM 1080 O HIS A 68 27.252 32.282 19.156 1.00 49.49 O ATOM 1081 CB HIS A 68 24.845 34.285 19.630 1.00 49.92 C ATOM 1082 CG HIS A 68 25.154 35.604 20.267 1.00 50.22 C ATOM 1083 ND1 HIS A 68 26.221 35.787 21.122 1.00 49.30 N ATOM 1084 CD2 HIS A 68 24.536 36.806 20.173 1.00 49.95 C ATOM 1085 CE1 HIS A 68 26.246 37.045 21.526 1.00 50.25 C ATOM 1086 NE2 HIS A 68 25.234 37.683 20.966 1.00 49.64 N ATOM 0 H HIS A 68 24.605 32.181 18.085 1.00 49.53 H new ATOM 0 HA HIS A 68 25.776 34.911 17.840 1.00 50.07 H new ATOM 0 HB2 HIS A 68 23.794 34.268 19.341 1.00 49.92 H new ATOM 0 HB3 HIS A 68 24.986 33.494 20.367 1.00 49.92 H new ATOM 0 HD2 HIS A 68 23.659 37.032 19.585 1.00 49.95 H new ATOM 0 HE1 HIS A 68 26.971 37.478 22.200 1.00 50.25 H new ATOM 0 HE2 HIS A 68 25.008 38.668 21.101 1.00 49.64 H new ATOM 1094 N LEU A 69 28.061 34.363 18.839 1.00 49.53 N ATOM 1095 CA LEU A 69 29.409 34.025 19.287 1.00 50.07 C ATOM 1096 C LEU A 69 29.696 34.907 20.465 1.00 50.51 C ATOM 1097 O LEU A 69 29.747 36.172 20.262 1.00 49.49 O ATOM 1098 CB LEU A 69 30.431 34.246 18.164 1.00 49.82 C ATOM 1099 CG LEU A 69 31.784 33.553 18.367 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.613 33.645 17.094 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.515 34.198 19.535 1.00 49.73 C ATOM 0 H LEU A 69 27.947 35.336 18.553 1.00 49.53 H new ATOM 0 HA LEU A 69 29.481 32.973 19.563 1.00 50.07 H new ATOM 0 HB2 LEU A 69 29.998 33.896 17.227 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.602 35.317 18.056 1.00 49.82 H new ATOM 0 HG LEU A 69 31.623 32.499 18.593 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.572 33.150 17.248 1.00 49.73 H new ATOM 0 HD12 LEU A 69 32.080 33.158 16.277 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.781 34.693 16.844 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.477 33.705 19.679 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.677 35.255 19.324 1.00 49.73 H new ATOM 0 HD23 LEU A 69 31.916 34.096 20.440 1.00 49.73 H new ATOM 1113 N VAL A 70 29.765 34.389 21.647 1.00 49.53 N ATOM 1114 CA VAL A 70 30.155 35.207 22.832 1.00 50.07 C ATOM 1115 C VAL A 70 31.648 34.920 23.052 1.00 50.51 C ATOM 1116 O VAL A 70 32.091 33.775 22.808 1.00 49.49 O ATOM 1117 CB VAL A 70 29.354 34.834 24.093 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.829 35.648 25.287 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.866 35.050 23.862 1.00 49.73 C ATOM 0 H VAL A 70 29.564 33.411 21.855 1.00 49.53 H new ATOM 0 HA VAL A 70 29.950 36.262 22.651 1.00 50.07 H new ATOM 0 HB VAL A 70 29.521 33.778 24.306 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.252 35.371 26.169 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.885 35.448 25.467 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.691 36.710 25.082 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.315 34.781 24.763 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.683 36.098 23.624 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.532 34.426 23.033 1.00 49.73 H new ATOM 1129 N LEU A 71 32.397 35.907 23.486 1.00 49.53 N ATOM 1130 CA LEU A 71 33.839 35.708 23.757 1.00 50.07 C ATOM 1131 C LEU A 71 34.032 35.474 25.232 1.00 50.51 C ATOM 1132 O LEU A 71 33.553 36.257 26.077 1.00 49.49 O ATOM 1133 CB LEU A 71 34.649 36.923 23.288 1.00 49.82 C ATOM 1134 CG LEU A 71 34.764 37.082 21.766 1.00 49.91 C ATOM 1135 CD1 LEU A 71 35.502 38.371 21.431 1.00 49.73 C ATOM 1136 CD2 LEU A 71 35.491 35.878 21.184 1.00 49.73 C ATOM 0 H LEU A 71 32.056 36.852 23.663 1.00 49.53 H new ATOM 0 HA LEU A 71 34.197 34.839 23.204 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.193 37.824 23.698 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.653 36.854 23.707 1.00 49.82 H new ATOM 0 HG LEU A 71 33.767 37.136 21.329 1.00 49.91 H new ATOM 0 HD11 LEU A 71 35.579 38.475 20.349 1.00 49.73 H new ATOM 0 HD12 LEU A 71 34.955 39.220 21.840 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.502 38.341 21.865 1.00 49.73 H new ATOM 0 HD21 LEU A 71 35.573 35.990 20.103 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.488 35.810 21.619 1.00 49.73 H new ATOM 0 HD23 LEU A 71 34.933 34.970 21.413 1.00 49.73 H new ATOM 1148 N ARG A 72 34.773 34.490 25.581 1.00 49.53 N ATOM 1149 CA ARG A 72 35.102 34.173 26.988 1.00 50.07 C ATOM 1150 C ARG A 72 36.473 34.778 27.282 1.00 50.51 C ATOM 1151 O ARG A 72 37.366 34.433 26.444 1.00 49.49 O ATOM 1152 CB ARG A 72 35.055 32.682 27.282 1.00 49.82 C ATOM 1153 CG ARG A 72 33.666 32.064 27.234 1.00 49.82 C ATOM 1154 CD ARG A 72 33.635 30.606 27.521 1.00 50.20 C ATOM 1155 NE ARG A 72 34.243 29.776 26.494 1.00 49.30 N ATOM 1156 CZ ARG A 72 34.498 28.460 26.624 1.00 50.64 C ATOM 1157 NH1 ARG A 72 34.234 27.827 27.747 1.00 49.20 N ATOM 1158 NH2 ARG A 72 35.042 27.824 25.602 1.00 49.20 N ATOM 0 H ARG A 72 35.194 33.847 24.910 1.00 49.53 H new ATOM 0 HA ARG A 72 34.350 34.605 27.648 1.00 50.07 H new ATOM 0 HB2 ARG A 72 35.692 32.165 26.565 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.481 32.508 28.270 1.00 49.82 H new ATOM 0 HG2 ARG A 72 33.028 32.578 27.953 1.00 49.82 H new ATOM 0 HG3 ARG A 72 33.238 32.237 26.247 1.00 49.82 H new ATOM 0 HD2 ARG A 72 34.145 30.424 28.467 1.00 50.20 H new ATOM 0 HD3 ARG A 72 32.598 30.297 27.654 1.00 50.20 H new ATOM 0 HE ARG A 72 34.494 30.222 25.612 1.00 49.30 H new ATOM 0 HH11 ARG A 72 33.830 28.333 28.535 1.00 49.20 H new ATOM 0 HH12 ARG A 72 34.433 26.830 27.829 1.00 49.20 H new ATOM 0 HH21 ARG A 72 35.258 28.330 24.743 1.00 49.20 H new ATOM 0 HH22 ARG A 72 35.246 26.827 25.672 1.00 49.20 H new ATOM 1172 N LEU A 73 36.643 35.573 28.286 1.00 49.53 N ATOM 1173 CA LEU A 73 37.980 36.163 28.547 1.00 50.07 C ATOM 1174 C LEU A 73 38.863 35.228 29.362 1.00 50.51 C ATOM 1175 O LEU A 73 38.371 34.357 30.095 1.00 49.49 O ATOM 1176 CB LEU A 73 37.831 37.511 29.263 1.00 49.82 C ATOM 1177 CG LEU A 73 37.068 38.586 28.479 1.00 49.91 C ATOM 1178 CD1 LEU A 73 36.908 39.839 29.330 1.00 49.73 C ATOM 1179 CD2 LEU A 73 37.813 38.901 27.190 1.00 49.73 C ATOM 0 H LEU A 73 35.912 35.844 28.944 1.00 49.53 H new ATOM 0 HA LEU A 73 38.467 36.317 27.584 1.00 50.07 H new ATOM 0 HB2 LEU A 73 37.321 37.346 30.212 1.00 49.82 H new ATOM 0 HB3 LEU A 73 38.825 37.892 29.497 1.00 49.82 H new ATOM 0 HG LEU A 73 36.074 38.216 28.228 1.00 49.91 H new ATOM 0 HD11 LEU A 73 36.365 40.596 28.764 1.00 49.73 H new ATOM 0 HD12 LEU A 73 36.353 39.595 30.236 1.00 49.73 H new ATOM 0 HD13 LEU A 73 37.892 40.224 29.600 1.00 49.73 H new ATOM 0 HD21 LEU A 73 37.270 39.665 26.633 1.00 49.73 H new ATOM 0 HD22 LEU A 73 38.812 39.266 27.427 1.00 49.73 H new ATOM 0 HD23 LEU A 73 37.891 37.998 26.585 1.00 49.73 H new ATOM 1191 N ARG A 74 40.158 35.391 29.141 1.00 49.53 N ATOM 1192 CA ARG A 74 41.178 34.578 29.823 1.00 50.07 C ATOM 1193 C ARG A 74 41.441 35.200 31.192 1.00 50.51 C ATOM 1194 O ARG A 74 42.577 35.601 31.501 1.00 49.49 O ATOM 1195 CB ARG A 74 42.454 34.432 29.006 1.00 49.82 C ATOM 1196 CG ARG A 74 43.391 33.330 29.475 1.00 49.82 C ATOM 1197 CD ARG A 74 44.729 33.348 28.829 1.00 50.20 C ATOM 1198 NE ARG A 74 44.710 33.084 27.399 1.00 49.30 N ATOM 1199 CZ ARG A 74 44.708 31.854 26.848 1.00 50.64 C ATOM 1200 NH1 ARG A 74 44.759 30.776 27.598 1.00 49.20 N ATOM 1201 NH2 ARG A 74 44.676 31.762 25.530 1.00 49.20 N ATOM 0 H ARG A 74 40.539 36.080 28.493 1.00 49.53 H new ATOM 0 HA ARG A 74 40.804 33.561 29.945 1.00 50.07 H new ATOM 0 HB2 ARG A 74 42.184 34.242 27.967 1.00 49.82 H new ATOM 0 HB3 ARG A 74 42.992 35.380 29.027 1.00 49.82 H new ATOM 0 HG2 ARG A 74 43.520 33.414 30.554 1.00 49.82 H new ATOM 0 HG3 ARG A 74 42.922 32.365 29.285 1.00 49.82 H new ATOM 0 HD2 ARG A 74 45.188 34.322 29.000 1.00 50.20 H new ATOM 0 HD3 ARG A 74 45.363 32.606 29.315 1.00 50.20 H new ATOM 0 HE ARG A 74 44.697 33.886 26.769 1.00 49.30 H new ATOM 0 HH11 ARG A 74 44.801 30.863 28.613 1.00 49.20 H new ATOM 0 HH12 ARG A 74 44.757 29.853 27.165 1.00 49.20 H new ATOM 0 HH21 ARG A 74 44.654 32.608 24.960 1.00 49.20 H new ATOM 0 HH22 ARG A 74 44.674 30.845 25.083 1.00 49.20 H new ATOM 1215 N GLY A 75 40.360 35.348 31.949 1.00 49.53 N ATOM 1216 CA GLY A 75 40.399 35.908 33.293 1.00 49.98 C ATOM 1217 C GLY A 75 40.409 37.422 33.212 1.00 50.51 C ATOM 1218 O GLY A 75 40.848 38.031 32.221 1.00 49.49 O ATOM 0 H GLY A 75 39.424 35.080 31.644 1.00 49.53 H new ATOM 0 HA2 GLY A 75 39.534 35.570 33.864 1.00 49.98 H new ATOM 0 HA3 GLY A 75 41.286 35.556 33.819 1.00 49.98 H new ATOM 1222 N GLY A 76 39.956 38.015 34.302 1.00 49.53 N ATOM 1223 CA GLY A 76 39.876 39.471 34.490 1.00 49.98 C ATOM 1224 C GLY A 76 39.539 39.596 35.985 1.00 50.51 C ATOM 1225 O GLY A 76 38.432 40.099 36.262 1.00 49.49 O ATOM 0 H GLY A 76 39.621 37.490 35.110 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.816 39.964 34.243 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.106 39.920 33.862 1.00 49.98 H new