USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 652 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 18 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 60 THR OG1 : rot -90:sc= -0.978 USER MOD Single : A 1 SER N :NH3+ -126:sc= -2.35! (180deg=-5.45!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -54:sc= 1.04 USER MOD Single : A 12 GLN : amide:sc= -3.31 K(o=-3.3,f=-2.5!) USER MOD Single : A 15 LYS NZ :NH3+ -138:sc= 0.834 (180deg=0.231) USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= -2.63! (180deg=-2.82!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.149 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.403 K(o=-0.4,f=-1.4) USER MOD Single : A 39 THR OG1 : rot 180:sc=-0.00586 USER MOD Single : A 40 MET CE :methyl -172:sc= 0 (180deg=-0.0934) USER MOD Single : A 43 HIS : no HD1:sc= -0.816 K(o=-0.82,f=-2) USER MOD Single : A 44 SER OG : rot -13:sc= -0.334! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= -2.88! USER MOD Single : A 58 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.38) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.46 K(o=-0.46,f=-3) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.208 X(o=-0.21,f=-0.091) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.604 -1.749 -4.506 1.00 12.40 N ATOM 2 CA SER A 1 5.213 -0.958 -3.345 1.00 53.41 C ATOM 3 C SER A 1 4.309 0.201 -3.756 1.00 44.05 C ATOM 4 O SER A 1 3.162 0.311 -3.323 1.00 42.45 O ATOM 5 CB SER A 1 6.452 -0.422 -2.625 1.00 60.32 C ATOM 6 OG SER A 1 6.647 -1.082 -1.387 1.00 23.54 O ATOM 0 H1 SER A 1 5.366 -2.748 -4.342 1.00 12.40 H new ATOM 0 H2 SER A 1 5.097 -1.406 -5.347 1.00 12.40 H new ATOM 0 H3 SER A 1 6.629 -1.658 -4.659 1.00 12.40 H new ATOM 0 HA SER A 1 4.659 -1.606 -2.666 1.00 53.41 H new ATOM 0 HB2 SER A 1 7.330 -0.558 -3.256 1.00 60.32 H new ATOM 0 HB3 SER A 1 6.344 0.649 -2.456 1.00 60.32 H new ATOM 0 HG SER A 1 7.446 -0.723 -0.947 1.00 23.54 H new ATOM 12 N PRO A 2 4.838 1.087 -4.614 1.00 23.15 N ATOM 13 CA PRO A 2 4.098 2.253 -5.104 1.00 11.45 C ATOM 14 C PRO A 2 2.966 1.866 -6.049 1.00 41.33 C ATOM 15 O PRO A 2 3.085 0.914 -6.820 1.00 65.22 O ATOM 16 CB PRO A 2 5.163 3.063 -5.847 1.00 61.24 C ATOM 17 CG PRO A 2 6.185 2.059 -6.256 1.00 22.13 C ATOM 18 CD PRO A 2 6.200 1.018 -5.171 1.00 34.23 C ATOM 0 HA PRO A 2 3.616 2.800 -4.294 1.00 11.45 H new ATOM 0 HB2 PRO A 2 4.740 3.573 -6.713 1.00 61.24 H new ATOM 0 HB3 PRO A 2 5.596 3.830 -5.205 1.00 61.24 H new ATOM 0 HG2 PRO A 2 5.933 1.615 -7.219 1.00 22.13 H new ATOM 0 HG3 PRO A 2 7.165 2.523 -6.366 1.00 22.13 H new ATOM 0 HD2 PRO A 2 6.422 0.027 -5.568 1.00 34.23 H new ATOM 0 HD3 PRO A 2 6.955 1.236 -4.415 1.00 34.23 H new ATOM 26 N LYS A 3 1.868 2.611 -5.986 1.00 35.12 N ATOM 27 CA LYS A 3 0.714 2.347 -6.838 1.00 12.54 C ATOM 28 C LYS A 3 0.652 3.342 -7.993 1.00 22.51 C ATOM 29 O LYS A 3 0.266 4.497 -7.812 1.00 73.23 O ATOM 30 CB LYS A 3 -0.577 2.420 -6.019 1.00 73.33 C ATOM 31 CG LYS A 3 -1.838 2.369 -6.866 1.00 25.34 C ATOM 32 CD LYS A 3 -3.081 2.211 -6.006 1.00 44.40 C ATOM 33 CE LYS A 3 -3.283 3.411 -5.094 1.00 1.44 C ATOM 34 NZ LYS A 3 -4.723 3.644 -4.794 1.00 21.33 N ATOM 0 H LYS A 3 1.753 3.403 -5.354 1.00 35.12 H new ATOM 0 HA LYS A 3 0.820 1.344 -7.251 1.00 12.54 H new ATOM 0 HB2 LYS A 3 -0.593 1.594 -5.308 1.00 73.33 H new ATOM 0 HB3 LYS A 3 -0.577 3.342 -5.437 1.00 73.33 H new ATOM 0 HG2 LYS A 3 -1.917 3.281 -7.458 1.00 25.34 H new ATOM 0 HG3 LYS A 3 -1.772 1.538 -7.568 1.00 25.34 H new ATOM 0 HD2 LYS A 3 -3.955 2.088 -6.646 1.00 44.40 H new ATOM 0 HD3 LYS A 3 -2.996 1.306 -5.405 1.00 44.40 H new ATOM 0 HE2 LYS A 3 -2.739 3.255 -4.163 1.00 1.44 H new ATOM 0 HE3 LYS A 3 -2.862 4.299 -5.564 1.00 1.44 H new ATOM 0 HZ1 LYS A 3 -4.818 4.470 -4.170 1.00 21.33 H new ATOM 0 HZ2 LYS A 3 -5.238 3.818 -5.680 1.00 21.33 H new ATOM 0 HZ3 LYS A 3 -5.119 2.806 -4.322 1.00 21.33 H new ATOM 48 N THR A 4 1.034 2.885 -9.182 1.00 3.03 N ATOM 49 CA THR A 4 1.022 3.734 -10.366 1.00 61.24 C ATOM 50 C THR A 4 0.161 3.127 -11.468 1.00 50.34 C ATOM 51 O THR A 4 -0.069 1.918 -11.494 1.00 61.15 O ATOM 52 CB THR A 4 2.446 3.961 -10.909 1.00 54.03 C ATOM 53 OG1 THR A 4 3.353 3.030 -10.310 1.00 21.23 O ATOM 54 CG2 THR A 4 2.911 5.382 -10.630 1.00 11.13 C ATOM 0 H THR A 4 1.355 1.932 -9.350 1.00 3.03 H new ATOM 0 HA THR A 4 0.599 4.692 -10.064 1.00 61.24 H new ATOM 0 HB THR A 4 2.429 3.807 -11.988 1.00 54.03 H new ATOM 0 HG1 THR A 4 4.255 3.180 -10.662 1.00 21.23 H new ATOM 0 HG21 THR A 4 3.919 5.519 -11.022 1.00 11.13 H new ATOM 0 HG22 THR A 4 2.235 6.088 -11.113 1.00 11.13 H new ATOM 0 HG23 THR A 4 2.913 5.560 -9.555 1.00 11.13 H new ATOM 62 N ILE A 5 -0.312 3.974 -12.377 1.00 20.04 N ATOM 63 CA ILE A 5 -1.146 3.520 -13.482 1.00 74.12 C ATOM 64 C ILE A 5 -0.324 2.755 -14.514 1.00 1.14 C ATOM 65 O ILE A 5 0.891 2.610 -14.372 1.00 0.34 O ATOM 66 CB ILE A 5 -1.851 4.700 -14.177 1.00 34.11 C ATOM 67 CG1 ILE A 5 -0.914 5.356 -15.192 1.00 43.41 C ATOM 68 CG2 ILE A 5 -2.322 5.716 -13.147 1.00 43.43 C ATOM 69 CD1 ILE A 5 0.415 5.777 -14.604 1.00 31.32 C ATOM 0 H ILE A 5 -0.131 4.978 -12.369 1.00 20.04 H new ATOM 0 HA ILE A 5 -1.899 2.857 -13.056 1.00 74.12 H new ATOM 0 HB ILE A 5 -2.723 4.321 -14.709 1.00 34.11 H new ATOM 0 HG12 ILE A 5 -0.735 4.660 -16.012 1.00 43.41 H new ATOM 0 HG13 ILE A 5 -1.407 6.230 -15.617 1.00 43.41 H new ATOM 0 HG21 ILE A 5 -2.818 6.544 -13.653 1.00 43.43 H new ATOM 0 HG22 ILE A 5 -3.021 5.240 -12.459 1.00 43.43 H new ATOM 0 HG23 ILE A 5 -1.465 6.093 -12.589 1.00 43.43 H new ATOM 0 HD11 ILE A 5 1.028 6.234 -15.381 1.00 31.32 H new ATOM 0 HD12 ILE A 5 0.247 6.497 -13.803 1.00 31.32 H new ATOM 0 HD13 ILE A 5 0.929 4.903 -14.204 1.00 31.32 H new ATOM 81 N LEU A 6 -0.993 2.269 -15.553 1.00 32.41 N ATOM 82 CA LEU A 6 -0.324 1.520 -16.611 1.00 73.40 C ATOM 83 C LEU A 6 -0.963 1.804 -17.967 1.00 21.13 C ATOM 84 O LEU A 6 -0.273 2.115 -18.937 1.00 23.25 O ATOM 85 CB LEU A 6 -0.378 0.020 -16.314 1.00 10.04 C ATOM 86 CG LEU A 6 -1.756 -0.547 -15.970 1.00 62.10 C ATOM 87 CD1 LEU A 6 -2.358 -1.253 -17.175 1.00 31.11 C ATOM 88 CD2 LEU A 6 -1.661 -1.497 -14.785 1.00 71.32 C ATOM 0 H LEU A 6 -1.998 2.380 -15.686 1.00 32.41 H new ATOM 0 HA LEU A 6 0.717 1.840 -16.646 1.00 73.40 H new ATOM 0 HB2 LEU A 6 0.007 -0.516 -17.182 1.00 10.04 H new ATOM 0 HB3 LEU A 6 0.297 -0.190 -15.484 1.00 10.04 H new ATOM 0 HG LEU A 6 -2.410 0.280 -15.695 1.00 62.10 H new ATOM 0 HD11 LEU A 6 -3.338 -1.650 -16.912 1.00 31.11 H new ATOM 0 HD12 LEU A 6 -2.462 -0.545 -17.997 1.00 31.11 H new ATOM 0 HD13 LEU A 6 -1.706 -2.071 -17.481 1.00 31.11 H new ATOM 0 HD21 LEU A 6 -2.651 -1.891 -14.554 1.00 71.32 H new ATOM 0 HD22 LEU A 6 -0.991 -2.321 -15.032 1.00 71.32 H new ATOM 0 HD23 LEU A 6 -1.273 -0.961 -13.919 1.00 71.32 H new ATOM 100 N GLY A 7 -2.287 1.697 -18.026 1.00 0.02 N ATOM 101 CA GLY A 7 -2.997 1.948 -19.266 1.00 61.14 C ATOM 102 C GLY A 7 -3.679 3.301 -19.280 1.00 54.34 C ATOM 103 O GLY A 7 -4.077 3.814 -18.234 1.00 34.21 O ATOM 0 H GLY A 7 -2.880 1.441 -17.237 1.00 0.02 H new ATOM 0 HA2 GLY A 7 -2.298 1.889 -20.100 1.00 61.14 H new ATOM 0 HA3 GLY A 7 -3.742 1.167 -19.419 1.00 61.14 H new ATOM 107 N ILE A 8 -3.814 3.882 -20.468 1.00 3.12 N ATOM 108 CA ILE A 8 -4.452 5.184 -20.613 1.00 11.42 C ATOM 109 C ILE A 8 -5.430 5.190 -21.783 1.00 43.11 C ATOM 110 O ILE A 8 -5.189 4.554 -22.808 1.00 43.15 O ATOM 111 CB ILE A 8 -3.412 6.301 -20.822 1.00 12.02 C ATOM 112 CG1 ILE A 8 -4.091 7.672 -20.794 1.00 31.13 C ATOM 113 CG2 ILE A 8 -2.673 6.097 -22.136 1.00 24.05 C ATOM 114 CD1 ILE A 8 -4.501 8.171 -22.161 1.00 42.44 C ATOM 0 H ILE A 8 -3.490 3.471 -21.344 1.00 3.12 H new ATOM 0 HA ILE A 8 -4.995 5.374 -19.687 1.00 11.42 H new ATOM 0 HB ILE A 8 -2.687 6.259 -20.009 1.00 12.02 H new ATOM 0 HG12 ILE A 8 -4.973 7.619 -20.156 1.00 31.13 H new ATOM 0 HG13 ILE A 8 -3.413 8.395 -20.341 1.00 31.13 H new ATOM 0 HG21 ILE A 8 -1.942 6.894 -22.270 1.00 24.05 H new ATOM 0 HG22 ILE A 8 -2.162 5.134 -22.120 1.00 24.05 H new ATOM 0 HG23 ILE A 8 -3.385 6.116 -22.961 1.00 24.05 H new ATOM 0 HD11 ILE A 8 -4.976 9.148 -22.065 1.00 42.44 H new ATOM 0 HD12 ILE A 8 -3.620 8.257 -22.796 1.00 42.44 H new ATOM 0 HD13 ILE A 8 -5.204 7.469 -22.609 1.00 42.44 H new ATOM 126 N GLU A 9 -6.533 5.914 -21.622 1.00 41.42 N ATOM 127 CA GLU A 9 -7.546 6.003 -22.667 1.00 15.54 C ATOM 128 C GLU A 9 -8.020 7.443 -22.844 1.00 1.31 C ATOM 129 O GLU A 9 -8.434 8.095 -21.885 1.00 41.11 O ATOM 130 CB GLU A 9 -8.736 5.101 -22.332 1.00 12.52 C ATOM 131 CG GLU A 9 -8.996 4.025 -23.372 1.00 41.25 C ATOM 132 CD GLU A 9 -10.300 3.288 -23.137 1.00 2.04 C ATOM 133 OE1 GLU A 9 -10.371 2.501 -22.170 1.00 3.13 O ATOM 134 OE2 GLU A 9 -11.250 3.499 -23.920 1.00 22.14 O ATOM 0 H GLU A 9 -6.748 6.447 -20.779 1.00 41.42 H new ATOM 0 HA GLU A 9 -7.097 5.669 -23.602 1.00 15.54 H new ATOM 0 HB2 GLU A 9 -8.561 4.626 -21.367 1.00 12.52 H new ATOM 0 HB3 GLU A 9 -9.629 5.717 -22.227 1.00 12.52 H new ATOM 0 HG2 GLU A 9 -9.014 4.479 -24.363 1.00 41.25 H new ATOM 0 HG3 GLU A 9 -8.173 3.311 -23.364 1.00 41.25 H new ATOM 141 N VAL A 10 -7.955 7.934 -24.078 1.00 21.23 N ATOM 142 CA VAL A 10 -8.377 9.296 -24.382 1.00 61.33 C ATOM 143 C VAL A 10 -9.897 9.415 -24.374 1.00 23.00 C ATOM 144 O VAL A 10 -10.589 8.708 -25.106 1.00 51.12 O ATOM 145 CB VAL A 10 -7.844 9.755 -25.753 1.00 13.25 C ATOM 146 CG1 VAL A 10 -8.273 8.787 -26.844 1.00 71.23 C ATOM 147 CG2 VAL A 10 -8.321 11.166 -26.063 1.00 5.22 C ATOM 0 H VAL A 10 -7.614 7.409 -24.883 1.00 21.23 H new ATOM 0 HA VAL A 10 -7.961 9.938 -23.605 1.00 61.33 H new ATOM 0 HB VAL A 10 -6.755 9.763 -25.716 1.00 13.25 H new ATOM 0 HG11 VAL A 10 -7.887 9.128 -27.805 1.00 71.23 H new ATOM 0 HG12 VAL A 10 -7.878 7.795 -26.626 1.00 71.23 H new ATOM 0 HG13 VAL A 10 -9.361 8.744 -26.885 1.00 71.23 H new ATOM 0 HG21 VAL A 10 -7.936 11.475 -27.035 1.00 5.22 H new ATOM 0 HG22 VAL A 10 -9.411 11.186 -26.082 1.00 5.22 H new ATOM 0 HG23 VAL A 10 -7.959 11.849 -25.295 1.00 5.22 H new ATOM 157 N SER A 11 -10.410 10.315 -23.541 1.00 23.31 N ATOM 158 CA SER A 11 -11.849 10.525 -23.434 1.00 62.14 C ATOM 159 C SER A 11 -12.180 12.014 -23.417 1.00 14.04 C ATOM 160 O SER A 11 -13.099 12.447 -22.721 1.00 44.32 O ATOM 161 CB SER A 11 -12.391 9.855 -22.171 1.00 33.14 C ATOM 162 OG SER A 11 -13.793 10.030 -22.062 1.00 13.50 O ATOM 0 H SER A 11 -9.850 10.910 -22.930 1.00 23.31 H new ATOM 0 HA SER A 11 -12.323 10.075 -24.306 1.00 62.14 H new ATOM 0 HB2 SER A 11 -12.155 8.791 -22.190 1.00 33.14 H new ATOM 0 HB3 SER A 11 -11.900 10.275 -21.293 1.00 33.14 H new ATOM 0 HG SER A 11 -14.009 10.984 -22.119 1.00 13.50 H new ATOM 168 N GLN A 12 -11.426 12.791 -24.187 1.00 4.14 N ATOM 169 CA GLN A 12 -11.638 14.232 -24.259 1.00 35.21 C ATOM 170 C GLN A 12 -12.794 14.565 -25.198 1.00 25.15 C ATOM 171 O GLN A 12 -12.912 13.989 -26.279 1.00 11.54 O ATOM 172 CB GLN A 12 -10.364 14.934 -24.730 1.00 61.14 C ATOM 173 CG GLN A 12 -9.923 14.522 -26.126 1.00 22.15 C ATOM 174 CD GLN A 12 -10.645 15.289 -27.216 1.00 64.41 C ATOM 175 OE1 GLN A 12 -10.806 16.506 -27.132 1.00 44.52 O ATOM 176 NE2 GLN A 12 -11.084 14.578 -28.248 1.00 70.12 N ATOM 0 H GLN A 12 -10.663 12.447 -24.770 1.00 4.14 H new ATOM 0 HA GLN A 12 -11.891 14.587 -23.260 1.00 35.21 H new ATOM 0 HB2 GLN A 12 -10.525 16.012 -24.712 1.00 61.14 H new ATOM 0 HB3 GLN A 12 -9.560 14.720 -24.026 1.00 61.14 H new ATOM 0 HG2 GLN A 12 -8.849 14.681 -26.225 1.00 22.15 H new ATOM 0 HG3 GLN A 12 -10.101 13.455 -26.259 1.00 22.15 H new ATOM 0 HE21 GLN A 12 -10.928 13.570 -28.276 1.00 70.12 H new ATOM 0 HE22 GLN A 12 -11.577 15.040 -29.012 1.00 70.12 H new ATOM 185 N GLU A 13 -13.642 15.497 -24.776 1.00 13.21 N ATOM 186 CA GLU A 13 -14.789 15.905 -25.579 1.00 43.24 C ATOM 187 C GLU A 13 -14.558 17.281 -26.197 1.00 42.33 C ATOM 188 O GLU A 13 -13.797 18.101 -25.682 1.00 52.24 O ATOM 189 CB GLU A 13 -16.058 15.924 -24.725 1.00 2.11 C ATOM 190 CG GLU A 13 -16.676 14.551 -24.523 1.00 72.13 C ATOM 191 CD GLU A 13 -17.717 14.536 -23.421 1.00 13.21 C ATOM 192 OE1 GLU A 13 -17.877 15.573 -22.743 1.00 30.33 O ATOM 193 OE2 GLU A 13 -18.372 13.489 -23.236 1.00 42.01 O ATOM 0 H GLU A 13 -13.557 15.984 -23.884 1.00 13.21 H new ATOM 0 HA GLU A 13 -14.913 15.180 -26.383 1.00 43.24 H new ATOM 0 HB2 GLU A 13 -15.824 16.355 -23.751 1.00 2.11 H new ATOM 0 HB3 GLU A 13 -16.792 16.578 -25.195 1.00 2.11 H new ATOM 0 HG2 GLU A 13 -17.135 14.223 -25.456 1.00 72.13 H new ATOM 0 HG3 GLU A 13 -15.890 13.834 -24.285 1.00 72.13 H new ATOM 200 N PRO A 14 -15.229 17.542 -27.329 1.00 35.42 N ATOM 201 CA PRO A 14 -15.114 18.817 -28.042 1.00 55.10 C ATOM 202 C PRO A 14 -15.760 19.968 -27.278 1.00 41.44 C ATOM 203 O PRO A 14 -16.899 19.864 -26.822 1.00 64.30 O ATOM 204 CB PRO A 14 -15.862 18.559 -29.353 1.00 1.23 C ATOM 205 CG PRO A 14 -16.828 17.472 -29.030 1.00 50.03 C ATOM 206 CD PRO A 14 -16.153 16.611 -27.999 1.00 32.23 C ATOM 0 HA PRO A 14 -14.075 19.115 -28.180 1.00 55.10 H new ATOM 0 HB2 PRO A 14 -16.376 19.456 -29.699 1.00 1.23 H new ATOM 0 HB3 PRO A 14 -15.178 18.258 -30.146 1.00 1.23 H new ATOM 0 HG2 PRO A 14 -17.762 17.882 -28.645 1.00 50.03 H new ATOM 0 HG3 PRO A 14 -17.076 16.893 -29.920 1.00 50.03 H new ATOM 0 HD2 PRO A 14 -16.871 16.184 -27.299 1.00 32.23 H new ATOM 0 HD3 PRO A 14 -15.621 15.777 -28.457 1.00 32.23 H new ATOM 214 N LYS A 15 -15.026 21.068 -27.143 1.00 63.40 N ATOM 215 CA LYS A 15 -15.527 22.240 -26.436 1.00 45.52 C ATOM 216 C LYS A 15 -14.537 23.397 -26.532 1.00 3.11 C ATOM 217 O LYS A 15 -14.661 24.264 -27.397 1.00 1.40 O ATOM 218 CB LYS A 15 -15.791 21.902 -24.967 1.00 70.14 C ATOM 219 CG LYS A 15 -16.174 23.106 -24.125 1.00 3.31 C ATOM 220 CD LYS A 15 -15.203 23.313 -22.975 1.00 2.35 C ATOM 221 CE LYS A 15 -15.815 24.167 -21.875 1.00 14.11 C ATOM 222 NZ LYS A 15 -14.816 25.089 -21.267 1.00 33.45 N ATOM 0 H LYS A 15 -14.082 21.172 -27.514 1.00 63.40 H new ATOM 0 HA LYS A 15 -16.462 22.544 -26.906 1.00 45.52 H new ATOM 0 HB2 LYS A 15 -16.589 21.162 -24.911 1.00 70.14 H new ATOM 0 HB3 LYS A 15 -14.899 21.442 -24.543 1.00 70.14 H new ATOM 0 HG2 LYS A 15 -16.193 23.998 -24.751 1.00 3.31 H new ATOM 0 HG3 LYS A 15 -17.182 22.971 -23.732 1.00 3.31 H new ATOM 0 HD2 LYS A 15 -14.911 22.346 -22.566 1.00 2.35 H new ATOM 0 HD3 LYS A 15 -14.296 23.790 -23.345 1.00 2.35 H new ATOM 0 HE2 LYS A 15 -16.643 24.747 -22.284 1.00 14.11 H new ATOM 0 HE3 LYS A 15 -16.230 23.520 -21.102 1.00 14.11 H new ATOM 0 HZ1 LYS A 15 -14.941 25.104 -20.235 1.00 33.45 H new ATOM 0 HZ2 LYS A 15 -13.856 24.760 -21.495 1.00 33.45 H new ATOM 0 HZ3 LYS A 15 -14.952 26.048 -21.646 1.00 33.45 H new ATOM 236 N LYS A 16 -13.553 23.403 -25.639 1.00 0.52 N ATOM 237 CA LYS A 16 -12.539 24.452 -25.624 1.00 35.45 C ATOM 238 C LYS A 16 -13.175 25.826 -25.810 1.00 61.41 C ATOM 239 O LYS A 16 -12.725 26.621 -26.635 1.00 4.44 O ATOM 240 CB LYS A 16 -11.503 24.204 -26.722 1.00 74.42 C ATOM 241 CG LYS A 16 -11.176 22.735 -26.929 1.00 61.01 C ATOM 242 CD LYS A 16 -9.676 22.493 -26.930 1.00 22.11 C ATOM 243 CE LYS A 16 -9.128 22.382 -25.515 1.00 53.42 C ATOM 244 NZ LYS A 16 -8.096 21.315 -25.402 1.00 10.13 N ATOM 0 H LYS A 16 -13.436 22.693 -24.916 1.00 0.52 H new ATOM 0 HA LYS A 16 -12.043 24.430 -24.654 1.00 35.45 H new ATOM 0 HB2 LYS A 16 -11.872 24.621 -27.659 1.00 74.42 H new ATOM 0 HB3 LYS A 16 -10.587 24.740 -26.473 1.00 74.42 H new ATOM 0 HG2 LYS A 16 -11.641 22.143 -26.140 1.00 61.01 H new ATOM 0 HG3 LYS A 16 -11.601 22.396 -27.874 1.00 61.01 H new ATOM 0 HD2 LYS A 16 -9.454 21.578 -27.480 1.00 22.11 H new ATOM 0 HD3 LYS A 16 -9.175 23.308 -27.452 1.00 22.11 H new ATOM 0 HE2 LYS A 16 -8.697 23.338 -25.217 1.00 53.42 H new ATOM 0 HE3 LYS A 16 -9.945 22.172 -24.825 1.00 53.42 H new ATOM 0 HZ1 LYS A 16 -7.652 21.360 -24.463 1.00 10.13 H new ATOM 0 HZ2 LYS A 16 -8.543 20.385 -25.529 1.00 10.13 H new ATOM 0 HZ3 LYS A 16 -7.371 21.454 -26.135 1.00 10.13 H new ATOM 258 N ASP A 17 -14.222 26.098 -25.039 1.00 23.11 N ATOM 259 CA ASP A 17 -14.917 27.377 -25.118 1.00 12.24 C ATOM 260 C ASP A 17 -14.992 28.040 -23.746 1.00 0.42 C ATOM 261 O ASP A 17 -15.435 27.429 -22.773 1.00 2.30 O ATOM 262 CB ASP A 17 -16.326 27.182 -25.681 1.00 43.40 C ATOM 263 CG ASP A 17 -16.748 28.319 -26.591 1.00 2.32 C ATOM 264 OD1 ASP A 17 -17.204 29.359 -26.069 1.00 62.35 O ATOM 265 OD2 ASP A 17 -16.621 28.170 -27.824 1.00 12.11 O ATOM 0 H ASP A 17 -14.608 25.450 -24.352 1.00 23.11 H new ATOM 0 HA ASP A 17 -14.354 28.028 -25.786 1.00 12.24 H new ATOM 0 HB2 ASP A 17 -16.367 26.244 -26.234 1.00 43.40 H new ATOM 0 HB3 ASP A 17 -17.035 27.097 -24.857 1.00 43.40 H new ATOM 270 N TYR A 18 -14.555 29.293 -23.675 1.00 73.15 N ATOM 271 CA TYR A 18 -14.569 30.038 -22.422 1.00 73.12 C ATOM 272 C TYR A 18 -15.130 31.441 -22.629 1.00 55.51 C ATOM 273 O TYR A 18 -15.004 32.021 -23.709 1.00 23.04 O ATOM 274 CB TYR A 18 -13.158 30.122 -21.839 1.00 21.24 C ATOM 275 CG TYR A 18 -12.327 31.242 -22.422 1.00 62.15 C ATOM 276 CD1 TYR A 18 -11.701 31.100 -23.654 1.00 63.35 C ATOM 277 CD2 TYR A 18 -12.169 32.443 -21.742 1.00 43.11 C ATOM 278 CE1 TYR A 18 -10.940 32.120 -24.191 1.00 41.21 C ATOM 279 CE2 TYR A 18 -11.411 33.470 -22.272 1.00 21.32 C ATOM 280 CZ TYR A 18 -10.798 33.303 -23.496 1.00 51.22 C ATOM 281 OH TYR A 18 -10.042 34.323 -24.028 1.00 73.31 O ATOM 0 H TYR A 18 -14.187 29.814 -24.471 1.00 73.15 H new ATOM 0 HA TYR A 18 -15.214 29.508 -21.721 1.00 73.12 H new ATOM 0 HB2 TYR A 18 -13.228 30.257 -20.760 1.00 21.24 H new ATOM 0 HB3 TYR A 18 -12.647 29.175 -22.010 1.00 21.24 H new ATOM 0 HD1 TYR A 18 -11.811 30.176 -24.202 1.00 63.35 H new ATOM 0 HD2 TYR A 18 -12.647 32.576 -20.783 1.00 43.11 H new ATOM 0 HE1 TYR A 18 -10.459 31.992 -25.149 1.00 41.21 H new ATOM 0 HE2 TYR A 18 -11.299 34.398 -21.731 1.00 21.32 H new ATOM 0 HH TYR A 18 -10.045 35.087 -23.414 1.00 73.31 H new ATOM 291 N LEU A 19 -15.751 31.983 -21.587 1.00 22.14 N ATOM 292 CA LEU A 19 -16.332 33.319 -21.651 1.00 43.45 C ATOM 293 C LEU A 19 -15.288 34.383 -21.327 1.00 1.31 C ATOM 294 O LEU A 19 -14.325 34.123 -20.605 1.00 42.45 O ATOM 295 CB LEU A 19 -17.510 33.432 -20.683 1.00 10.45 C ATOM 296 CG LEU A 19 -18.827 32.815 -21.153 1.00 34.11 C ATOM 297 CD1 LEU A 19 -19.235 33.389 -22.501 1.00 1.32 C ATOM 298 CD2 LEU A 19 -18.709 31.300 -21.231 1.00 25.23 C ATOM 0 H LEU A 19 -15.865 31.517 -20.687 1.00 22.14 H new ATOM 0 HA LEU A 19 -16.689 33.484 -22.668 1.00 43.45 H new ATOM 0 HB2 LEU A 19 -17.227 32.961 -19.742 1.00 10.45 H new ATOM 0 HB3 LEU A 19 -17.681 34.488 -20.473 1.00 10.45 H new ATOM 0 HG LEU A 19 -19.601 33.062 -20.426 1.00 34.11 H new ATOM 0 HD11 LEU A 19 -20.175 32.938 -22.819 1.00 1.32 H new ATOM 0 HD12 LEU A 19 -19.362 34.468 -22.414 1.00 1.32 H new ATOM 0 HD13 LEU A 19 -18.461 33.173 -23.238 1.00 1.32 H new ATOM 0 HD21 LEU A 19 -19.656 30.878 -21.567 1.00 25.23 H new ATOM 0 HD22 LEU A 19 -17.922 31.032 -21.936 1.00 25.23 H new ATOM 0 HD23 LEU A 19 -18.464 30.903 -20.246 1.00 25.23 H new ATOM 310 N VAL A 20 -15.487 35.583 -21.863 1.00 1.30 N ATOM 311 CA VAL A 20 -14.565 36.688 -21.628 1.00 1.11 C ATOM 312 C VAL A 20 -14.284 36.862 -20.140 1.00 24.24 C ATOM 313 O VAL A 20 -15.205 36.934 -19.327 1.00 43.03 O ATOM 314 CB VAL A 20 -15.118 38.010 -22.192 1.00 43.25 C ATOM 315 CG1 VAL A 20 -14.135 39.146 -21.952 1.00 62.12 C ATOM 316 CG2 VAL A 20 -15.428 37.868 -23.675 1.00 32.52 C ATOM 0 H VAL A 20 -16.279 35.815 -22.463 1.00 1.30 H new ATOM 0 HA VAL A 20 -13.637 36.441 -22.144 1.00 1.11 H new ATOM 0 HB VAL A 20 -16.045 38.247 -21.671 1.00 43.25 H new ATOM 0 HG11 VAL A 20 -14.543 40.072 -22.357 1.00 62.12 H new ATOM 0 HG12 VAL A 20 -13.967 39.262 -20.881 1.00 62.12 H new ATOM 0 HG13 VAL A 20 -13.190 38.920 -22.445 1.00 62.12 H new ATOM 0 HG21 VAL A 20 -15.818 38.811 -24.057 1.00 32.52 H new ATOM 0 HG22 VAL A 20 -14.517 37.607 -24.214 1.00 32.52 H new ATOM 0 HG23 VAL A 20 -16.171 37.084 -23.818 1.00 32.52 H new ATOM 326 N GLY A 21 -13.003 36.929 -19.789 1.00 22.03 N ATOM 327 CA GLY A 21 -12.622 37.094 -18.398 1.00 54.31 C ATOM 328 C GLY A 21 -12.359 35.771 -17.708 1.00 31.33 C ATOM 329 O GLY A 21 -11.573 35.701 -16.763 1.00 11.43 O ATOM 0 H GLY A 21 -12.222 36.872 -20.443 1.00 22.03 H new ATOM 0 HA2 GLY A 21 -11.727 37.714 -18.341 1.00 54.31 H new ATOM 0 HA3 GLY A 21 -13.413 37.625 -17.869 1.00 54.31 H new ATOM 333 N ASP A 22 -13.019 34.718 -18.179 1.00 4.22 N ATOM 334 CA ASP A 22 -12.852 33.390 -17.600 1.00 54.01 C ATOM 335 C ASP A 22 -11.508 32.789 -17.997 1.00 63.31 C ATOM 336 O ASP A 22 -10.986 31.906 -17.316 1.00 3.53 O ATOM 337 CB ASP A 22 -13.989 32.469 -18.048 1.00 2.53 C ATOM 338 CG ASP A 22 -14.549 31.644 -16.906 1.00 63.32 C ATOM 339 OD1 ASP A 22 -13.978 30.572 -16.614 1.00 53.13 O ATOM 340 OD2 ASP A 22 -15.558 32.069 -16.305 1.00 61.33 O ATOM 0 H ASP A 22 -13.674 34.759 -18.960 1.00 4.22 H new ATOM 0 HA ASP A 22 -12.879 33.488 -16.515 1.00 54.01 H new ATOM 0 HB2 ASP A 22 -14.788 33.068 -18.485 1.00 2.53 H new ATOM 0 HB3 ASP A 22 -13.626 31.802 -18.830 1.00 2.53 H new ATOM 345 N SER A 23 -10.953 33.272 -19.104 1.00 60.43 N ATOM 346 CA SER A 23 -9.671 32.778 -19.595 1.00 15.31 C ATOM 347 C SER A 23 -9.774 31.312 -20.003 1.00 71.13 C ATOM 348 O SER A 23 -10.616 30.571 -19.495 1.00 33.05 O ATOM 349 CB SER A 23 -8.592 32.947 -18.524 1.00 32.12 C ATOM 350 OG SER A 23 -8.904 34.017 -17.649 1.00 53.54 O ATOM 0 H SER A 23 -11.371 34.005 -19.678 1.00 60.43 H new ATOM 0 HA SER A 23 -9.396 33.363 -20.473 1.00 15.31 H new ATOM 0 HB2 SER A 23 -8.494 32.023 -17.953 1.00 32.12 H new ATOM 0 HB3 SER A 23 -7.629 33.131 -19.000 1.00 32.12 H new ATOM 0 HG SER A 23 -8.200 34.103 -16.973 1.00 53.54 H new ATOM 356 N LEU A 24 -8.911 30.900 -20.925 1.00 71.52 N ATOM 357 CA LEU A 24 -8.903 29.521 -21.404 1.00 10.44 C ATOM 358 C LEU A 24 -8.863 28.540 -20.236 1.00 50.15 C ATOM 359 O LEU A 24 -8.032 28.664 -19.336 1.00 55.32 O ATOM 360 CB LEU A 24 -7.703 29.287 -22.323 1.00 73.01 C ATOM 361 CG LEU A 24 -8.022 29.095 -23.806 1.00 43.33 C ATOM 362 CD1 LEU A 24 -7.295 30.134 -24.647 1.00 21.51 C ATOM 363 CD2 LEU A 24 -7.651 27.689 -24.254 1.00 45.11 C ATOM 0 H LEU A 24 -8.208 31.500 -21.356 1.00 71.52 H new ATOM 0 HA LEU A 24 -9.821 29.351 -21.966 1.00 10.44 H new ATOM 0 HB2 LEU A 24 -7.024 30.134 -22.224 1.00 73.01 H new ATOM 0 HB3 LEU A 24 -7.167 28.406 -21.970 1.00 73.01 H new ATOM 0 HG LEU A 24 -9.095 29.228 -23.948 1.00 43.33 H new ATOM 0 HD11 LEU A 24 -7.534 29.982 -25.700 1.00 21.51 H new ATOM 0 HD12 LEU A 24 -7.610 31.133 -24.344 1.00 21.51 H new ATOM 0 HD13 LEU A 24 -6.220 30.033 -24.501 1.00 21.51 H new ATOM 0 HD21 LEU A 24 -7.885 27.571 -25.312 1.00 45.11 H new ATOM 0 HD22 LEU A 24 -6.584 27.527 -24.098 1.00 45.11 H new ATOM 0 HD23 LEU A 24 -8.217 26.961 -23.673 1.00 45.11 H new ATOM 375 N ASP A 25 -9.764 27.564 -20.260 1.00 11.32 N ATOM 376 CA ASP A 25 -9.830 26.559 -19.205 1.00 41.13 C ATOM 377 C ASP A 25 -10.760 25.416 -19.601 1.00 42.33 C ATOM 378 O ASP A 25 -11.842 25.258 -19.035 1.00 30.42 O ATOM 379 CB ASP A 25 -10.307 27.192 -17.897 1.00 74.23 C ATOM 380 CG ASP A 25 -9.157 27.624 -17.010 1.00 10.24 C ATOM 381 OD1 ASP A 25 -8.318 26.766 -16.666 1.00 71.31 O ATOM 382 OD2 ASP A 25 -9.096 28.821 -16.658 1.00 12.14 O ATOM 0 H ASP A 25 -10.458 27.447 -20.998 1.00 11.32 H new ATOM 0 HA ASP A 25 -8.828 26.155 -19.059 1.00 41.13 H new ATOM 0 HB2 ASP A 25 -10.933 28.056 -18.122 1.00 74.23 H new ATOM 0 HB3 ASP A 25 -10.930 26.479 -17.358 1.00 74.23 H new ATOM 387 N LEU A 26 -10.332 24.623 -20.577 1.00 42.54 N ATOM 388 CA LEU A 26 -11.126 23.495 -21.051 1.00 14.25 C ATOM 389 C LEU A 26 -11.559 22.608 -19.888 1.00 12.25 C ATOM 390 O LEU A 26 -10.800 22.391 -18.943 1.00 41.32 O ATOM 391 CB LEU A 26 -10.328 22.673 -22.064 1.00 52.31 C ATOM 392 CG LEU A 26 -10.878 21.283 -22.382 1.00 72.45 C ATOM 393 CD1 LEU A 26 -12.055 21.380 -23.341 1.00 1.41 C ATOM 394 CD2 LEU A 26 -9.786 20.398 -22.965 1.00 22.52 C ATOM 0 H LEU A 26 -9.439 24.740 -21.056 1.00 42.54 H new ATOM 0 HA LEU A 26 -12.019 23.889 -21.536 1.00 14.25 H new ATOM 0 HB2 LEU A 26 -10.267 23.239 -22.994 1.00 52.31 H new ATOM 0 HB3 LEU A 26 -9.310 22.562 -21.691 1.00 52.31 H new ATOM 0 HG LEU A 26 -11.228 20.832 -21.454 1.00 72.45 H new ATOM 0 HD11 LEU A 26 -12.433 20.380 -23.555 1.00 1.41 H new ATOM 0 HD12 LEU A 26 -12.846 21.977 -22.887 1.00 1.41 H new ATOM 0 HD13 LEU A 26 -11.731 21.852 -24.268 1.00 1.41 H new ATOM 0 HD21 LEU A 26 -10.196 19.412 -23.185 1.00 22.52 H new ATOM 0 HD22 LEU A 26 -9.406 20.846 -23.883 1.00 22.52 H new ATOM 0 HD23 LEU A 26 -8.973 20.301 -22.245 1.00 22.52 H new ATOM 406 N SER A 27 -12.783 22.096 -19.964 1.00 55.31 N ATOM 407 CA SER A 27 -13.318 21.234 -18.917 1.00 72.30 C ATOM 408 C SER A 27 -14.027 20.024 -19.519 1.00 14.40 C ATOM 409 O SER A 27 -14.625 19.222 -18.802 1.00 43.22 O ATOM 410 CB SER A 27 -14.286 22.016 -18.027 1.00 50.02 C ATOM 411 OG SER A 27 -15.535 22.200 -18.670 1.00 73.45 O ATOM 0 H SER A 27 -13.423 22.263 -20.740 1.00 55.31 H new ATOM 0 HA SER A 27 -12.484 20.880 -18.311 1.00 72.30 H new ATOM 0 HB2 SER A 27 -14.432 21.483 -17.087 1.00 50.02 H new ATOM 0 HB3 SER A 27 -13.855 22.986 -17.780 1.00 50.02 H new ATOM 0 HG SER A 27 -16.136 22.701 -18.080 1.00 73.45 H new ATOM 417 N GLU A 28 -13.956 19.902 -20.841 1.00 30.32 N ATOM 418 CA GLU A 28 -14.592 18.791 -21.540 1.00 1.04 C ATOM 419 C GLU A 28 -13.553 17.775 -22.005 1.00 61.12 C ATOM 420 O GLU A 28 -13.880 16.625 -22.297 1.00 11.34 O ATOM 421 CB GLU A 28 -15.392 19.305 -22.738 1.00 61.34 C ATOM 422 CG GLU A 28 -16.623 20.107 -22.350 1.00 64.02 C ATOM 423 CD GLU A 28 -17.492 19.388 -21.337 1.00 72.25 C ATOM 424 OE1 GLU A 28 -17.992 18.289 -21.659 1.00 51.44 O ATOM 425 OE2 GLU A 28 -17.673 19.923 -20.224 1.00 33.32 O ATOM 0 H GLU A 28 -13.465 20.558 -21.449 1.00 30.32 H new ATOM 0 HA GLU A 28 -15.271 18.298 -20.844 1.00 1.04 H new ATOM 0 HB2 GLU A 28 -14.744 19.926 -23.357 1.00 61.34 H new ATOM 0 HB3 GLU A 28 -15.699 18.457 -23.350 1.00 61.34 H new ATOM 0 HG2 GLU A 28 -16.312 21.068 -21.939 1.00 64.02 H new ATOM 0 HG3 GLU A 28 -17.211 20.318 -23.243 1.00 64.02 H new ATOM 432 N GLY A 29 -12.298 18.209 -22.073 1.00 41.12 N ATOM 433 CA GLY A 29 -11.230 17.326 -22.505 1.00 0.24 C ATOM 434 C GLY A 29 -10.569 16.607 -21.346 1.00 23.22 C ATOM 435 O GLY A 29 -9.497 17.005 -20.890 1.00 25.40 O ATOM 0 H GLY A 29 -12.002 19.156 -21.837 1.00 41.12 H new ATOM 0 HA2 GLY A 29 -11.630 16.591 -23.204 1.00 0.24 H new ATOM 0 HA3 GLY A 29 -10.480 17.904 -23.045 1.00 0.24 H new ATOM 439 N ARG A 30 -11.210 15.546 -20.867 1.00 22.22 N ATOM 440 CA ARG A 30 -10.678 14.771 -19.752 1.00 14.12 C ATOM 441 C ARG A 30 -10.230 13.388 -20.215 1.00 54.13 C ATOM 442 O ARG A 30 -10.727 12.865 -21.213 1.00 41.23 O ATOM 443 CB ARG A 30 -11.731 14.635 -18.650 1.00 1.30 C ATOM 444 CG ARG A 30 -12.882 13.714 -19.018 1.00 32.33 C ATOM 445 CD ARG A 30 -14.213 14.449 -18.995 1.00 33.43 C ATOM 446 NE ARG A 30 -15.339 13.550 -19.239 1.00 2.34 N ATOM 447 CZ ARG A 30 -15.760 12.645 -18.363 1.00 23.15 C ATOM 448 NH1 ARG A 30 -15.152 12.518 -17.191 1.00 42.50 N ATOM 449 NH2 ARG A 30 -16.791 11.864 -18.657 1.00 70.14 N ATOM 0 H ARG A 30 -12.098 15.203 -21.233 1.00 22.22 H new ATOM 0 HA ARG A 30 -9.812 15.300 -19.355 1.00 14.12 H new ATOM 0 HB2 ARG A 30 -11.252 14.260 -17.746 1.00 1.30 H new ATOM 0 HB3 ARG A 30 -12.128 15.622 -18.415 1.00 1.30 H new ATOM 0 HG2 ARG A 30 -12.713 13.297 -20.011 1.00 32.33 H new ATOM 0 HG3 ARG A 30 -12.916 12.876 -18.322 1.00 32.33 H new ATOM 0 HD2 ARG A 30 -14.341 14.937 -18.029 1.00 33.43 H new ATOM 0 HD3 ARG A 30 -14.206 15.235 -19.750 1.00 33.43 H new ATOM 0 HE ARG A 30 -15.828 13.622 -20.131 1.00 2.34 H new ATOM 0 HH11 ARG A 30 -14.359 13.116 -16.960 1.00 42.50 H new ATOM 0 HH12 ARG A 30 -15.478 11.822 -16.520 1.00 42.50 H new ATOM 0 HH21 ARG A 30 -17.262 11.958 -19.557 1.00 70.14 H new ATOM 0 HH22 ARG A 30 -17.113 11.169 -17.983 1.00 70.14 H new ATOM 463 N PHE A 31 -9.289 12.801 -19.484 1.00 45.13 N ATOM 464 CA PHE A 31 -8.772 11.480 -19.821 1.00 71.41 C ATOM 465 C PHE A 31 -8.997 10.499 -18.673 1.00 44.34 C ATOM 466 O PHE A 31 -8.982 10.882 -17.504 1.00 52.41 O ATOM 467 CB PHE A 31 -7.281 11.561 -20.153 1.00 23.11 C ATOM 468 CG PHE A 31 -6.407 11.751 -18.946 1.00 15.13 C ATOM 469 CD1 PHE A 31 -6.415 12.950 -18.251 1.00 44.12 C ATOM 470 CD2 PHE A 31 -5.580 10.731 -18.505 1.00 60.11 C ATOM 471 CE1 PHE A 31 -5.611 13.128 -17.141 1.00 34.24 C ATOM 472 CE2 PHE A 31 -4.775 10.903 -17.395 1.00 22.22 C ATOM 473 CZ PHE A 31 -4.792 12.103 -16.711 1.00 65.41 C ATOM 0 H PHE A 31 -8.869 13.219 -18.654 1.00 45.13 H new ATOM 0 HA PHE A 31 -9.312 11.119 -20.696 1.00 71.41 H new ATOM 0 HB2 PHE A 31 -6.982 10.648 -20.668 1.00 23.11 H new ATOM 0 HB3 PHE A 31 -7.115 12.387 -20.845 1.00 23.11 H new ATOM 0 HD1 PHE A 31 -7.056 13.754 -18.580 1.00 44.12 H new ATOM 0 HD2 PHE A 31 -5.564 9.790 -19.035 1.00 60.11 H new ATOM 0 HE1 PHE A 31 -5.623 14.068 -16.610 1.00 34.24 H new ATOM 0 HE2 PHE A 31 -4.133 10.100 -17.063 1.00 22.22 H new ATOM 0 HZ PHE A 31 -4.166 12.239 -15.842 1.00 65.41 H new ATOM 483 N ALA A 32 -9.205 9.233 -19.017 1.00 64.44 N ATOM 484 CA ALA A 32 -9.431 8.197 -18.017 1.00 62.32 C ATOM 485 C ALA A 32 -8.228 7.265 -17.910 1.00 75.12 C ATOM 486 O ALA A 32 -7.853 6.606 -18.880 1.00 30.42 O ATOM 487 CB ALA A 32 -10.686 7.405 -18.352 1.00 14.11 C ATOM 0 H ALA A 32 -9.222 8.900 -19.981 1.00 64.44 H new ATOM 0 HA ALA A 32 -9.568 8.683 -17.051 1.00 62.32 H new ATOM 0 HB1 ALA A 32 -10.843 6.635 -17.597 1.00 14.11 H new ATOM 0 HB2 ALA A 32 -11.545 8.075 -18.370 1.00 14.11 H new ATOM 0 HB3 ALA A 32 -10.571 6.937 -19.329 1.00 14.11 H new ATOM 493 N VAL A 33 -7.627 7.215 -16.726 1.00 14.54 N ATOM 494 CA VAL A 33 -6.467 6.364 -16.492 1.00 32.10 C ATOM 495 C VAL A 33 -6.827 5.175 -15.608 1.00 12.10 C ATOM 496 O VAL A 33 -7.579 5.311 -14.643 1.00 51.13 O ATOM 497 CB VAL A 33 -5.318 7.150 -15.834 1.00 23.34 C ATOM 498 CG1 VAL A 33 -5.662 7.492 -14.392 1.00 42.42 C ATOM 499 CG2 VAL A 33 -4.021 6.358 -15.907 1.00 60.30 C ATOM 0 H VAL A 33 -7.925 7.754 -15.913 1.00 14.54 H new ATOM 0 HA VAL A 33 -6.138 6.002 -17.466 1.00 32.10 H new ATOM 0 HB VAL A 33 -5.179 8.083 -16.381 1.00 23.34 H new ATOM 0 HG11 VAL A 33 -4.838 8.047 -13.943 1.00 42.42 H new ATOM 0 HG12 VAL A 33 -6.566 8.101 -14.368 1.00 42.42 H new ATOM 0 HG13 VAL A 33 -5.829 6.573 -13.830 1.00 42.42 H new ATOM 0 HG21 VAL A 33 -3.220 6.928 -15.437 1.00 60.30 H new ATOM 0 HG22 VAL A 33 -4.145 5.409 -15.386 1.00 60.30 H new ATOM 0 HG23 VAL A 33 -3.768 6.169 -16.950 1.00 60.30 H new ATOM 509 N ALA A 34 -6.285 4.009 -15.944 1.00 4.33 N ATOM 510 CA ALA A 34 -6.546 2.796 -15.179 1.00 14.40 C ATOM 511 C ALA A 34 -5.354 2.433 -14.300 1.00 53.51 C ATOM 512 O ALA A 34 -4.207 2.482 -14.743 1.00 65.42 O ATOM 513 CB ALA A 34 -6.885 1.645 -16.115 1.00 4.24 C ATOM 0 H ALA A 34 -5.662 3.879 -16.741 1.00 4.33 H new ATOM 0 HA ALA A 34 -7.399 2.984 -14.527 1.00 14.40 H new ATOM 0 HB1 ALA A 34 -7.078 0.745 -15.530 1.00 4.24 H new ATOM 0 HB2 ALA A 34 -7.772 1.897 -16.696 1.00 4.24 H new ATOM 0 HB3 ALA A 34 -6.048 1.467 -16.790 1.00 4.24 H new ATOM 519 N TYR A 35 -5.633 2.071 -13.053 1.00 13.30 N ATOM 520 CA TYR A 35 -4.583 1.703 -12.111 1.00 11.32 C ATOM 521 C TYR A 35 -4.448 0.187 -12.011 1.00 22.02 C ATOM 522 O TYR A 35 -5.336 -0.556 -12.428 1.00 52.35 O ATOM 523 CB TYR A 35 -4.878 2.292 -10.730 1.00 51.44 C ATOM 524 CG TYR A 35 -4.507 3.753 -10.603 1.00 70.42 C ATOM 525 CD1 TYR A 35 -5.202 4.730 -11.306 1.00 23.33 C ATOM 526 CD2 TYR A 35 -3.461 4.155 -9.782 1.00 14.23 C ATOM 527 CE1 TYR A 35 -4.866 6.065 -11.193 1.00 41.14 C ATOM 528 CE2 TYR A 35 -3.120 5.488 -9.662 1.00 43.31 C ATOM 529 CZ TYR A 35 -3.825 6.439 -10.370 1.00 4.30 C ATOM 530 OH TYR A 35 -3.486 7.768 -10.255 1.00 13.24 O ATOM 0 H TYR A 35 -6.578 2.025 -12.671 1.00 13.30 H new ATOM 0 HA TYR A 35 -3.641 2.110 -12.479 1.00 11.32 H new ATOM 0 HB2 TYR A 35 -5.940 2.175 -10.514 1.00 51.44 H new ATOM 0 HB3 TYR A 35 -4.335 1.721 -9.977 1.00 51.44 H new ATOM 0 HD1 TYR A 35 -6.018 4.441 -11.951 1.00 23.33 H new ATOM 0 HD2 TYR A 35 -2.905 3.413 -9.228 1.00 14.23 H new ATOM 0 HE1 TYR A 35 -5.416 6.812 -11.746 1.00 41.14 H new ATOM 0 HE2 TYR A 35 -2.306 5.784 -9.017 1.00 43.31 H new ATOM 0 HH TYR A 35 -2.732 7.861 -9.635 1.00 13.24 H new ATOM 540 N SER A 36 -3.329 -0.265 -11.453 1.00 72.21 N ATOM 541 CA SER A 36 -3.074 -1.693 -11.300 1.00 13.20 C ATOM 542 C SER A 36 -3.724 -2.227 -10.028 1.00 35.35 C ATOM 543 O SER A 36 -3.859 -3.437 -9.847 1.00 54.35 O ATOM 544 CB SER A 36 -1.569 -1.963 -11.269 1.00 62.13 C ATOM 545 OG SER A 36 -1.111 -2.151 -9.941 1.00 74.13 O ATOM 0 H SER A 36 -2.585 0.337 -11.100 1.00 72.21 H new ATOM 0 HA SER A 36 -3.511 -2.209 -12.155 1.00 13.20 H new ATOM 0 HB2 SER A 36 -1.343 -2.848 -11.864 1.00 62.13 H new ATOM 0 HB3 SER A 36 -1.037 -1.128 -11.725 1.00 62.13 H new ATOM 0 HG SER A 36 -0.146 -2.324 -9.949 1.00 74.13 H new ATOM 551 N ASN A 37 -4.126 -1.316 -9.148 1.00 5.45 N ATOM 552 CA ASN A 37 -4.761 -1.694 -7.891 1.00 33.12 C ATOM 553 C ASN A 37 -6.281 -1.664 -8.020 1.00 33.55 C ATOM 554 O ASN A 37 -6.996 -1.516 -7.028 1.00 3.20 O ATOM 555 CB ASN A 37 -4.315 -0.757 -6.767 1.00 11.22 C ATOM 556 CG ASN A 37 -4.679 -1.287 -5.393 1.00 44.03 C ATOM 557 OD1 ASN A 37 -4.722 -2.498 -5.175 1.00 10.34 O ATOM 558 ND2 ASN A 37 -4.942 -0.380 -4.460 1.00 11.02 N ATOM 0 H ASN A 37 -4.023 -0.310 -9.282 1.00 5.45 H new ATOM 0 HA ASN A 37 -4.454 -2.711 -7.649 1.00 33.12 H new ATOM 0 HB2 ASN A 37 -3.236 -0.614 -6.824 1.00 11.22 H new ATOM 0 HB3 ASN A 37 -4.774 0.221 -6.909 1.00 11.22 H new ATOM 0 HD21 ASN A 37 -5.192 -0.676 -3.517 1.00 11.02 H new ATOM 0 HD22 ASN A 37 -4.894 0.613 -4.686 1.00 11.02 H new ATOM 565 N ASP A 38 -6.768 -1.808 -9.247 1.00 53.41 N ATOM 566 CA ASP A 38 -8.203 -1.799 -9.506 1.00 74.02 C ATOM 567 C ASP A 38 -8.810 -0.443 -9.158 1.00 74.51 C ATOM 568 O ASP A 38 -9.598 -0.326 -8.218 1.00 45.23 O ATOM 569 CB ASP A 38 -8.895 -2.902 -8.704 1.00 24.52 C ATOM 570 CG ASP A 38 -8.114 -4.202 -8.714 1.00 43.13 C ATOM 571 OD1 ASP A 38 -7.447 -4.486 -9.732 1.00 14.10 O ATOM 572 OD2 ASP A 38 -8.168 -4.934 -7.705 1.00 30.43 O ATOM 0 H ASP A 38 -6.190 -1.932 -10.078 1.00 53.41 H new ATOM 0 HA ASP A 38 -8.356 -1.983 -10.569 1.00 74.02 H new ATOM 0 HB2 ASP A 38 -9.028 -2.570 -7.675 1.00 24.52 H new ATOM 0 HB3 ASP A 38 -9.890 -3.076 -9.114 1.00 24.52 H new ATOM 577 N THR A 39 -8.438 0.580 -9.921 1.00 74.55 N ATOM 578 CA THR A 39 -8.944 1.927 -9.693 1.00 1.22 C ATOM 579 C THR A 39 -8.832 2.777 -10.953 1.00 54.42 C ATOM 580 O THR A 39 -8.088 2.444 -11.874 1.00 64.32 O ATOM 581 CB THR A 39 -8.186 2.625 -8.548 1.00 25.11 C ATOM 582 OG1 THR A 39 -7.094 1.806 -8.113 1.00 12.32 O ATOM 583 CG2 THR A 39 -9.114 2.906 -7.376 1.00 70.30 C ATOM 0 H THR A 39 -7.788 0.501 -10.703 1.00 74.55 H new ATOM 0 HA THR A 39 -9.994 1.828 -9.417 1.00 1.22 H new ATOM 0 HB THR A 39 -7.802 3.574 -8.922 1.00 25.11 H new ATOM 0 HG1 THR A 39 -6.616 2.257 -7.386 1.00 12.32 H new ATOM 0 HG21 THR A 39 -8.556 3.399 -6.580 1.00 70.30 H new ATOM 0 HG22 THR A 39 -9.928 3.553 -7.703 1.00 70.30 H new ATOM 0 HG23 THR A 39 -9.524 1.967 -7.004 1.00 70.30 H new ATOM 591 N MET A 40 -9.577 3.878 -10.987 1.00 30.31 N ATOM 592 CA MET A 40 -9.559 4.777 -12.135 1.00 35.02 C ATOM 593 C MET A 40 -9.610 6.234 -11.685 1.00 73.31 C ATOM 594 O MET A 40 -10.187 6.551 -10.645 1.00 42.24 O ATOM 595 CB MET A 40 -10.738 4.476 -13.063 1.00 44.33 C ATOM 596 CG MET A 40 -10.399 3.499 -14.177 1.00 74.12 C ATOM 597 SD MET A 40 -11.699 3.387 -15.422 1.00 34.14 S ATOM 598 CE MET A 40 -12.996 2.581 -14.485 1.00 70.21 C ATOM 0 H MET A 40 -10.200 4.168 -10.233 1.00 30.31 H new ATOM 0 HA MET A 40 -8.628 4.615 -12.678 1.00 35.02 H new ATOM 0 HB2 MET A 40 -11.560 4.071 -12.473 1.00 44.33 H new ATOM 0 HB3 MET A 40 -11.091 5.409 -13.503 1.00 44.33 H new ATOM 0 HG2 MET A 40 -9.469 3.807 -14.655 1.00 74.12 H new ATOM 0 HG3 MET A 40 -10.225 2.512 -13.749 1.00 74.12 H new ATOM 0 HE1 MET A 40 -13.815 2.313 -15.153 1.00 70.21 H new ATOM 0 HE2 MET A 40 -12.600 1.680 -14.017 1.00 70.21 H new ATOM 0 HE3 MET A 40 -13.363 3.259 -13.715 1.00 70.21 H new ATOM 608 N GLU A 41 -9.003 7.114 -12.475 1.00 32.11 N ATOM 609 CA GLU A 41 -8.979 8.537 -12.156 1.00 33.53 C ATOM 610 C GLU A 41 -9.350 9.374 -13.376 1.00 44.32 C ATOM 611 O GLU A 41 -8.852 9.139 -14.477 1.00 2.34 O ATOM 612 CB GLU A 41 -7.596 8.944 -11.644 1.00 41.04 C ATOM 613 CG GLU A 41 -7.555 9.214 -10.150 1.00 3.13 C ATOM 614 CD GLU A 41 -7.049 10.606 -9.822 1.00 70.40 C ATOM 615 OE1 GLU A 41 -5.818 10.775 -9.701 1.00 44.40 O ATOM 616 OE2 GLU A 41 -7.884 11.524 -9.686 1.00 42.24 O ATOM 0 H GLU A 41 -8.522 6.867 -13.340 1.00 32.11 H new ATOM 0 HA GLU A 41 -9.716 8.721 -11.374 1.00 33.53 H new ATOM 0 HB2 GLU A 41 -6.883 8.154 -11.882 1.00 41.04 H new ATOM 0 HB3 GLU A 41 -7.270 9.838 -12.175 1.00 41.04 H new ATOM 0 HG2 GLU A 41 -8.555 9.088 -9.734 1.00 3.13 H new ATOM 0 HG3 GLU A 41 -6.914 8.476 -9.669 1.00 3.13 H new ATOM 623 N GLU A 42 -10.227 10.352 -13.172 1.00 32.33 N ATOM 624 CA GLU A 42 -10.665 11.223 -14.256 1.00 13.24 C ATOM 625 C GLU A 42 -10.292 12.675 -13.971 1.00 14.33 C ATOM 626 O GLU A 42 -10.451 13.160 -12.850 1.00 54.40 O ATOM 627 CB GLU A 42 -12.177 11.103 -14.457 1.00 14.54 C ATOM 628 CG GLU A 42 -12.992 11.738 -13.342 1.00 23.34 C ATOM 629 CD GLU A 42 -14.425 11.244 -13.313 1.00 31.14 C ATOM 630 OE1 GLU A 42 -14.914 10.783 -14.365 1.00 75.12 O ATOM 631 OE2 GLU A 42 -15.057 11.319 -12.239 1.00 34.55 O ATOM 0 H GLU A 42 -10.648 10.561 -12.267 1.00 32.33 H new ATOM 0 HA GLU A 42 -10.159 10.908 -15.168 1.00 13.24 H new ATOM 0 HB2 GLU A 42 -12.447 11.570 -15.404 1.00 14.54 H new ATOM 0 HB3 GLU A 42 -12.442 10.049 -14.534 1.00 14.54 H new ATOM 0 HG2 GLU A 42 -12.518 11.524 -12.384 1.00 23.34 H new ATOM 0 HG3 GLU A 42 -12.987 12.821 -13.465 1.00 23.34 H new ATOM 638 N HIS A 43 -9.795 13.364 -14.993 1.00 62.11 N ATOM 639 CA HIS A 43 -9.399 14.761 -14.854 1.00 21.35 C ATOM 640 C HIS A 43 -9.479 15.485 -16.194 1.00 75.21 C ATOM 641 O HIS A 43 -9.133 14.926 -17.234 1.00 71.55 O ATOM 642 CB HIS A 43 -7.979 14.857 -14.293 1.00 75.13 C ATOM 643 CG HIS A 43 -7.934 15.147 -12.825 1.00 4.43 C ATOM 644 ND1 HIS A 43 -8.782 16.042 -12.208 1.00 1.53 N ATOM 645 CD2 HIS A 43 -7.136 14.654 -11.849 1.00 65.12 C ATOM 646 CE1 HIS A 43 -8.506 16.088 -10.917 1.00 14.45 C ATOM 647 NE2 HIS A 43 -7.511 15.255 -10.673 1.00 34.41 N ATOM 0 H HIS A 43 -9.657 12.978 -15.927 1.00 62.11 H new ATOM 0 HA HIS A 43 -10.089 15.241 -14.160 1.00 21.35 H new ATOM 0 HB2 HIS A 43 -7.457 13.920 -14.486 1.00 75.13 H new ATOM 0 HB3 HIS A 43 -7.438 15.639 -14.826 1.00 75.13 H new ATOM 0 HD2 HIS A 43 -6.350 13.923 -11.973 1.00 65.12 H new ATOM 0 HE1 HIS A 43 -9.009 16.703 -10.185 1.00 14.45 H new ATOM 0 HE2 HIS A 43 -7.090 15.086 -9.760 1.00 34.41 H new ATOM 655 N SER A 44 -9.940 16.731 -16.161 1.00 44.42 N ATOM 656 CA SER A 44 -10.070 17.530 -17.374 1.00 51.31 C ATOM 657 C SER A 44 -9.184 18.771 -17.306 1.00 34.35 C ATOM 658 O SER A 44 -9.300 19.580 -16.385 1.00 51.21 O ATOM 659 CB SER A 44 -11.528 17.942 -17.584 1.00 55.14 C ATOM 660 OG SER A 44 -11.811 19.169 -16.933 1.00 70.43 O ATOM 0 H SER A 44 -10.230 17.209 -15.308 1.00 44.42 H new ATOM 0 HA SER A 44 -9.746 16.920 -18.217 1.00 51.31 H new ATOM 0 HB2 SER A 44 -11.732 18.037 -18.650 1.00 55.14 H new ATOM 0 HB3 SER A 44 -12.188 17.163 -17.201 1.00 55.14 H new ATOM 0 HG SER A 44 -11.081 19.388 -16.317 1.00 70.43 H new ATOM 666 N PHE A 45 -8.299 18.913 -18.286 1.00 73.25 N ATOM 667 CA PHE A 45 -7.392 20.053 -18.338 1.00 51.44 C ATOM 668 C PHE A 45 -6.866 20.394 -16.947 1.00 35.00 C ATOM 669 O PHE A 45 -7.245 21.407 -16.358 1.00 4.30 O ATOM 670 CB PHE A 45 -8.101 21.269 -18.940 1.00 21.23 C ATOM 671 CG PHE A 45 -7.159 22.342 -19.405 1.00 12.52 C ATOM 672 CD1 PHE A 45 -6.612 22.299 -20.677 1.00 52.30 C ATOM 673 CD2 PHE A 45 -6.821 23.395 -18.569 1.00 65.24 C ATOM 674 CE1 PHE A 45 -5.746 23.286 -21.108 1.00 64.03 C ATOM 675 CE2 PHE A 45 -5.955 24.384 -18.995 1.00 41.42 C ATOM 676 CZ PHE A 45 -5.416 24.329 -20.266 1.00 2.33 C ATOM 0 H PHE A 45 -8.190 18.252 -19.056 1.00 73.25 H new ATOM 0 HA PHE A 45 -6.546 19.784 -18.971 1.00 51.44 H new ATOM 0 HB2 PHE A 45 -8.712 20.943 -19.782 1.00 21.23 H new ATOM 0 HB3 PHE A 45 -8.779 21.689 -18.197 1.00 21.23 H new ATOM 0 HD1 PHE A 45 -6.865 21.485 -21.340 1.00 52.30 H new ATOM 0 HD2 PHE A 45 -7.239 23.443 -17.574 1.00 65.24 H new ATOM 0 HE1 PHE A 45 -5.328 23.241 -22.103 1.00 64.03 H new ATOM 0 HE2 PHE A 45 -5.700 25.200 -18.335 1.00 41.42 H new ATOM 0 HZ PHE A 45 -4.738 25.100 -20.600 1.00 2.33 H new ATOM 686 N THR A 46 -5.992 19.539 -16.426 1.00 4.33 N ATOM 687 CA THR A 46 -5.415 19.747 -15.104 1.00 3.24 C ATOM 688 C THR A 46 -4.183 18.873 -14.897 1.00 72.24 C ATOM 689 O THR A 46 -3.167 19.329 -14.374 1.00 2.23 O ATOM 690 CB THR A 46 -6.437 19.446 -13.991 1.00 65.31 C ATOM 691 OG1 THR A 46 -5.769 19.342 -12.728 1.00 55.22 O ATOM 692 CG2 THR A 46 -7.187 18.155 -14.281 1.00 73.12 C ATOM 0 H THR A 46 -5.668 18.696 -16.900 1.00 4.33 H new ATOM 0 HA THR A 46 -5.126 20.796 -15.048 1.00 3.24 H new ATOM 0 HB THR A 46 -7.155 20.265 -13.956 1.00 65.31 H new ATOM 0 HG1 THR A 46 -6.425 19.152 -12.025 1.00 55.22 H new ATOM 0 HG21 THR A 46 -7.903 17.963 -13.482 1.00 73.12 H new ATOM 0 HG22 THR A 46 -7.717 18.247 -15.229 1.00 73.12 H new ATOM 0 HG23 THR A 46 -6.479 17.328 -14.340 1.00 73.12 H new ATOM 700 N ASP A 47 -4.281 17.615 -15.313 1.00 24.34 N ATOM 701 CA ASP A 47 -3.173 16.676 -15.175 1.00 1.21 C ATOM 702 C ASP A 47 -1.889 17.262 -15.755 1.00 31.15 C ATOM 703 O ASP A 47 -1.922 18.001 -16.737 1.00 52.35 O ATOM 704 CB ASP A 47 -3.506 15.356 -15.871 1.00 63.23 C ATOM 705 CG ASP A 47 -2.320 14.412 -15.920 1.00 51.10 C ATOM 706 OD1 ASP A 47 -1.611 14.298 -14.899 1.00 3.11 O ATOM 707 OD2 ASP A 47 -2.101 13.788 -16.980 1.00 11.13 O ATOM 0 H ASP A 47 -5.116 17.222 -15.748 1.00 24.34 H new ATOM 0 HA ASP A 47 -3.018 16.488 -14.113 1.00 1.21 H new ATOM 0 HB2 ASP A 47 -4.331 14.871 -15.349 1.00 63.23 H new ATOM 0 HB3 ASP A 47 -3.847 15.560 -16.886 1.00 63.23 H new ATOM 712 N GLU A 48 -0.760 16.927 -15.138 1.00 33.53 N ATOM 713 CA GLU A 48 0.534 17.421 -15.592 1.00 51.41 C ATOM 714 C GLU A 48 1.207 16.414 -16.520 1.00 33.44 C ATOM 715 O GLU A 48 2.432 16.373 -16.626 1.00 34.20 O ATOM 716 CB GLU A 48 1.441 17.715 -14.396 1.00 24.14 C ATOM 717 CG GLU A 48 1.216 19.087 -13.783 1.00 32.34 C ATOM 718 CD GLU A 48 2.159 20.136 -14.338 1.00 1.11 C ATOM 719 OE1 GLU A 48 1.919 20.613 -15.467 1.00 21.32 O ATOM 720 OE2 GLU A 48 3.138 20.481 -13.643 1.00 33.35 O ATOM 0 H GLU A 48 -0.716 16.316 -14.323 1.00 33.53 H new ATOM 0 HA GLU A 48 0.367 18.344 -16.147 1.00 51.41 H new ATOM 0 HB2 GLU A 48 1.279 16.954 -13.632 1.00 24.14 H new ATOM 0 HB3 GLU A 48 2.481 17.634 -14.711 1.00 24.14 H new ATOM 0 HG2 GLU A 48 0.187 19.397 -13.964 1.00 32.34 H new ATOM 0 HG3 GLU A 48 1.345 19.023 -12.702 1.00 32.34 H new ATOM 727 N GLY A 49 0.395 15.601 -17.189 1.00 60.52 N ATOM 728 CA GLY A 49 0.929 14.603 -18.098 1.00 52.23 C ATOM 729 C GLY A 49 0.802 15.016 -19.551 1.00 41.22 C ATOM 730 O GLY A 49 1.558 14.552 -20.405 1.00 21.55 O ATOM 0 H GLY A 49 -0.622 15.615 -17.118 1.00 60.52 H new ATOM 0 HA2 GLY A 49 1.979 14.427 -17.864 1.00 52.23 H new ATOM 0 HA3 GLY A 49 0.406 13.659 -17.945 1.00 52.23 H new ATOM 734 N VAL A 50 -0.158 15.891 -19.835 1.00 22.13 N ATOM 735 CA VAL A 50 -0.382 16.366 -21.195 1.00 3.12 C ATOM 736 C VAL A 50 0.055 17.819 -21.348 1.00 74.22 C ATOM 737 O VAL A 50 -0.112 18.626 -20.435 1.00 11.41 O ATOM 738 CB VAL A 50 -1.864 16.242 -21.596 1.00 64.41 C ATOM 739 CG1 VAL A 50 -2.341 14.806 -21.436 1.00 54.40 C ATOM 740 CG2 VAL A 50 -2.720 17.192 -20.773 1.00 3.20 C ATOM 0 H VAL A 50 -0.793 16.285 -19.141 1.00 22.13 H new ATOM 0 HA VAL A 50 0.218 15.738 -21.853 1.00 3.12 H new ATOM 0 HB VAL A 50 -1.963 16.518 -22.646 1.00 64.41 H new ATOM 0 HG11 VAL A 50 -3.390 14.737 -21.724 1.00 54.40 H new ATOM 0 HG12 VAL A 50 -1.746 14.152 -22.073 1.00 54.40 H new ATOM 0 HG13 VAL A 50 -2.229 14.499 -20.396 1.00 54.40 H new ATOM 0 HG21 VAL A 50 -3.764 17.091 -21.070 1.00 3.20 H new ATOM 0 HG22 VAL A 50 -2.618 16.950 -19.715 1.00 3.20 H new ATOM 0 HG23 VAL A 50 -2.392 18.217 -20.943 1.00 3.20 H new ATOM 750 N GLU A 51 0.614 18.144 -22.510 1.00 35.32 N ATOM 751 CA GLU A 51 1.074 19.500 -22.782 1.00 42.12 C ATOM 752 C GLU A 51 0.513 20.009 -24.107 1.00 5.41 C ATOM 753 O GLU A 51 0.725 19.402 -25.157 1.00 22.01 O ATOM 754 CB GLU A 51 2.603 19.547 -22.811 1.00 43.13 C ATOM 755 CG GLU A 51 3.247 19.250 -21.467 1.00 41.34 C ATOM 756 CD GLU A 51 4.675 19.754 -21.380 1.00 73.04 C ATOM 757 OE1 GLU A 51 5.445 19.520 -22.335 1.00 52.15 O ATOM 758 OE2 GLU A 51 5.022 20.381 -20.358 1.00 51.32 O ATOM 0 H GLU A 51 0.759 17.487 -23.277 1.00 35.32 H new ATOM 0 HA GLU A 51 0.713 20.146 -21.982 1.00 42.12 H new ATOM 0 HB2 GLU A 51 2.966 18.828 -23.545 1.00 43.13 H new ATOM 0 HB3 GLU A 51 2.921 20.534 -23.147 1.00 43.13 H new ATOM 0 HG2 GLU A 51 2.655 19.709 -20.675 1.00 41.34 H new ATOM 0 HG3 GLU A 51 3.234 18.174 -21.292 1.00 41.34 H new ATOM 765 N ILE A 52 -0.203 21.127 -24.049 1.00 4.12 N ATOM 766 CA ILE A 52 -0.793 21.718 -25.243 1.00 53.31 C ATOM 767 C ILE A 52 0.051 22.880 -25.756 1.00 54.13 C ATOM 768 O ILE A 52 0.542 23.696 -24.976 1.00 70.14 O ATOM 769 CB ILE A 52 -2.225 22.218 -24.975 1.00 32.23 C ATOM 770 CG1 ILE A 52 -3.202 21.041 -24.947 1.00 34.23 C ATOM 771 CG2 ILE A 52 -2.639 23.232 -26.031 1.00 20.14 C ATOM 772 CD1 ILE A 52 -3.032 20.143 -23.742 1.00 32.44 C ATOM 0 H ILE A 52 -0.388 21.641 -23.188 1.00 4.12 H new ATOM 0 HA ILE A 52 -0.826 20.934 -26.000 1.00 53.31 H new ATOM 0 HB ILE A 52 -2.247 22.708 -24.001 1.00 32.23 H new ATOM 0 HG12 ILE A 52 -4.222 21.425 -24.962 1.00 34.23 H new ATOM 0 HG13 ILE A 52 -3.071 20.449 -25.853 1.00 34.23 H new ATOM 0 HG21 ILE A 52 -3.653 23.576 -25.828 1.00 20.14 H new ATOM 0 HG22 ILE A 52 -1.956 24.081 -26.007 1.00 20.14 H new ATOM 0 HG23 ILE A 52 -2.604 22.766 -27.016 1.00 20.14 H new ATOM 0 HD11 ILE A 52 -3.757 19.331 -23.788 1.00 32.44 H new ATOM 0 HD12 ILE A 52 -2.024 19.729 -23.736 1.00 32.44 H new ATOM 0 HD13 ILE A 52 -3.192 20.721 -22.832 1.00 32.44 H new ATOM 784 N SER A 53 0.213 22.950 -27.074 1.00 21.33 N ATOM 785 CA SER A 53 0.999 24.011 -27.692 1.00 23.11 C ATOM 786 C SER A 53 0.183 24.745 -28.752 1.00 21.43 C ATOM 787 O SER A 53 -0.706 24.168 -29.377 1.00 24.54 O ATOM 788 CB SER A 53 2.270 23.434 -28.319 1.00 72.13 C ATOM 789 OG SER A 53 3.402 24.221 -27.993 1.00 63.30 O ATOM 0 H SER A 53 -0.190 22.284 -27.734 1.00 21.33 H new ATOM 0 HA SER A 53 1.277 24.723 -26.915 1.00 23.11 H new ATOM 0 HB2 SER A 53 2.420 22.413 -27.969 1.00 72.13 H new ATOM 0 HB3 SER A 53 2.156 23.387 -29.402 1.00 72.13 H new ATOM 0 HG SER A 53 4.201 23.830 -28.404 1.00 63.30 H new ATOM 795 N GLY A 54 0.493 26.023 -28.948 1.00 75.22 N ATOM 796 CA GLY A 54 -0.221 26.816 -29.932 1.00 63.13 C ATOM 797 C GLY A 54 -1.358 27.611 -29.322 1.00 43.33 C ATOM 798 O GLY A 54 -1.883 28.534 -29.946 1.00 35.25 O ATOM 0 H GLY A 54 1.225 26.523 -28.444 1.00 75.22 H new ATOM 0 HA2 GLY A 54 0.476 27.499 -30.418 1.00 63.13 H new ATOM 0 HA3 GLY A 54 -0.616 26.159 -30.706 1.00 63.13 H new ATOM 802 N TYR A 55 -1.739 27.253 -28.101 1.00 55.34 N ATOM 803 CA TYR A 55 -2.825 27.938 -27.409 1.00 24.35 C ATOM 804 C TYR A 55 -2.301 29.143 -26.633 1.00 33.10 C ATOM 805 O TYR A 55 -1.298 29.052 -25.926 1.00 4.01 O ATOM 806 CB TYR A 55 -3.537 26.975 -26.457 1.00 54.31 C ATOM 807 CG TYR A 55 -3.510 27.421 -25.012 1.00 73.15 C ATOM 808 CD1 TYR A 55 -4.434 28.340 -24.531 1.00 0.12 C ATOM 809 CD2 TYR A 55 -2.561 26.922 -24.129 1.00 31.30 C ATOM 810 CE1 TYR A 55 -4.412 28.750 -23.212 1.00 12.51 C ATOM 811 CE2 TYR A 55 -2.533 27.325 -22.808 1.00 43.20 C ATOM 812 CZ TYR A 55 -3.460 28.240 -22.354 1.00 41.15 C ATOM 813 OH TYR A 55 -3.436 28.645 -21.040 1.00 2.34 O ATOM 0 H TYR A 55 -1.313 26.493 -27.570 1.00 55.34 H new ATOM 0 HA TYR A 55 -3.535 28.291 -28.157 1.00 24.35 H new ATOM 0 HB2 TYR A 55 -4.574 26.864 -26.775 1.00 54.31 H new ATOM 0 HB3 TYR A 55 -3.073 25.992 -26.534 1.00 54.31 H new ATOM 0 HD1 TYR A 55 -5.182 28.741 -25.199 1.00 0.12 H new ATOM 0 HD2 TYR A 55 -1.833 26.207 -24.481 1.00 31.30 H new ATOM 0 HE1 TYR A 55 -5.137 29.466 -22.854 1.00 12.51 H new ATOM 0 HE2 TYR A 55 -1.789 26.926 -22.134 1.00 43.20 H new ATOM 0 HH TYR A 55 -2.705 28.191 -20.571 1.00 2.34 H new ATOM 823 N ASP A 56 -2.989 30.271 -26.771 1.00 34.32 N ATOM 824 CA ASP A 56 -2.597 31.495 -26.082 1.00 63.14 C ATOM 825 C ASP A 56 -3.575 31.824 -24.959 1.00 3.31 C ATOM 826 O ASP A 56 -4.757 32.063 -25.202 1.00 72.22 O ATOM 827 CB ASP A 56 -2.525 32.660 -27.071 1.00 4.25 C ATOM 828 CG ASP A 56 -1.728 33.830 -26.528 1.00 43.44 C ATOM 829 OD1 ASP A 56 -1.311 33.770 -25.353 1.00 64.01 O ATOM 830 OD2 ASP A 56 -1.522 34.807 -27.279 1.00 41.22 O ATOM 0 H ASP A 56 -3.821 30.363 -27.354 1.00 34.32 H new ATOM 0 HA ASP A 56 -1.611 31.337 -25.645 1.00 63.14 H new ATOM 0 HB2 ASP A 56 -2.073 32.316 -28.001 1.00 4.25 H new ATOM 0 HB3 ASP A 56 -3.535 32.992 -27.311 1.00 4.25 H new ATOM 835 N ALA A 57 -3.073 31.834 -23.728 1.00 42.44 N ATOM 836 CA ALA A 57 -3.902 32.135 -22.568 1.00 3.13 C ATOM 837 C ALA A 57 -4.159 33.634 -22.451 1.00 34.53 C ATOM 838 O ALA A 57 -3.807 34.256 -21.449 1.00 53.12 O ATOM 839 CB ALA A 57 -3.245 31.610 -21.300 1.00 22.02 C ATOM 0 H ALA A 57 -2.096 31.637 -23.509 1.00 42.44 H new ATOM 0 HA ALA A 57 -4.863 31.637 -22.700 1.00 3.13 H new ATOM 0 HB1 ALA A 57 -3.875 31.842 -20.441 1.00 22.02 H new ATOM 0 HB2 ALA A 57 -3.118 30.530 -21.376 1.00 22.02 H new ATOM 0 HB3 ALA A 57 -2.271 32.082 -21.173 1.00 22.02 H new ATOM 845 N GLN A 58 -4.775 34.206 -23.480 1.00 61.44 N ATOM 846 CA GLN A 58 -5.078 35.632 -23.492 1.00 61.13 C ATOM 847 C GLN A 58 -5.796 36.025 -24.779 1.00 44.32 C ATOM 848 O GLN A 58 -6.757 36.794 -24.757 1.00 32.24 O ATOM 849 CB GLN A 58 -3.794 36.449 -23.340 1.00 63.13 C ATOM 850 CG GLN A 58 -3.729 37.245 -22.047 1.00 5.00 C ATOM 851 CD GLN A 58 -2.514 36.898 -21.209 1.00 11.14 C ATOM 852 OE1 GLN A 58 -1.393 36.838 -21.714 1.00 61.22 O ATOM 853 NE2 GLN A 58 -2.731 36.668 -19.919 1.00 22.21 N ATOM 0 H GLN A 58 -5.074 33.704 -24.316 1.00 61.44 H new ATOM 0 HA GLN A 58 -5.737 35.845 -22.650 1.00 61.13 H new ATOM 0 HB2 GLN A 58 -2.938 35.776 -23.386 1.00 63.13 H new ATOM 0 HB3 GLN A 58 -3.707 37.134 -24.183 1.00 63.13 H new ATOM 0 HG2 GLN A 58 -3.713 38.310 -22.281 1.00 5.00 H new ATOM 0 HG3 GLN A 58 -4.632 37.060 -21.465 1.00 5.00 H new ATOM 0 HE21 GLN A 58 -3.677 36.729 -19.542 1.00 22.21 H new ATOM 0 HE22 GLN A 58 -1.952 36.431 -19.305 1.00 22.21 H new ATOM 862 N LYS A 59 -5.322 35.494 -25.901 1.00 61.30 N ATOM 863 CA LYS A 59 -5.918 35.788 -27.199 1.00 30.22 C ATOM 864 C LYS A 59 -6.253 34.502 -27.947 1.00 75.24 C ATOM 865 O LYS A 59 -5.366 33.820 -28.460 1.00 63.53 O ATOM 866 CB LYS A 59 -4.967 36.645 -28.037 1.00 54.32 C ATOM 867 CG LYS A 59 -5.381 38.104 -28.124 1.00 53.25 C ATOM 868 CD LYS A 59 -4.179 39.014 -28.315 1.00 14.33 C ATOM 869 CE LYS A 59 -3.920 39.295 -29.787 1.00 31.31 C ATOM 870 NZ LYS A 59 -2.535 39.789 -30.022 1.00 32.01 N ATOM 0 H LYS A 59 -4.526 34.857 -25.938 1.00 61.30 H new ATOM 0 HA LYS A 59 -6.842 36.341 -27.030 1.00 30.22 H new ATOM 0 HB2 LYS A 59 -3.966 36.585 -27.611 1.00 54.32 H new ATOM 0 HB3 LYS A 59 -4.910 36.231 -29.044 1.00 54.32 H new ATOM 0 HG2 LYS A 59 -6.075 38.237 -28.954 1.00 53.25 H new ATOM 0 HG3 LYS A 59 -5.912 38.387 -27.215 1.00 53.25 H new ATOM 0 HD2 LYS A 59 -4.345 39.954 -27.788 1.00 14.33 H new ATOM 0 HD3 LYS A 59 -3.297 38.552 -27.871 1.00 14.33 H new ATOM 0 HE2 LYS A 59 -4.084 38.385 -30.365 1.00 31.31 H new ATOM 0 HE3 LYS A 59 -4.635 40.035 -30.147 1.00 31.31 H new ATOM 0 HZ1 LYS A 59 -2.398 39.969 -31.037 1.00 32.01 H new ATOM 0 HZ2 LYS A 59 -2.386 40.671 -29.491 1.00 32.01 H new ATOM 0 HZ3 LYS A 59 -1.852 39.073 -29.702 1.00 32.01 H new ATOM 884 N THR A 60 -7.541 34.176 -28.008 1.00 50.20 N ATOM 885 CA THR A 60 -7.994 32.973 -28.694 1.00 65.42 C ATOM 886 C THR A 60 -8.235 33.242 -30.175 1.00 15.01 C ATOM 887 O THR A 60 -7.391 32.941 -31.017 1.00 25.22 O ATOM 888 CB THR A 60 -9.287 32.421 -28.066 1.00 74.13 C ATOM 889 OG1 THR A 60 -9.960 33.456 -27.340 1.00 64.12 O ATOM 890 CG2 THR A 60 -8.983 31.257 -27.136 1.00 35.45 C ATOM 0 H THR A 60 -8.289 34.729 -27.590 1.00 50.20 H new ATOM 0 HA THR A 60 -7.202 32.231 -28.587 1.00 65.42 H new ATOM 0 HB THR A 60 -9.931 32.064 -28.870 1.00 74.13 H new ATOM 0 HG1 THR A 60 -9.646 33.461 -26.412 1.00 64.12 H new ATOM 0 HG21 THR A 60 -9.912 30.884 -26.704 1.00 35.45 H new ATOM 0 HG22 THR A 60 -8.498 30.459 -27.698 1.00 35.45 H new ATOM 0 HG23 THR A 60 -8.321 31.592 -26.338 1.00 35.45 H new ATOM 898 N GLY A 61 -9.396 33.812 -30.486 1.00 45.44 N ATOM 899 CA GLY A 61 -9.727 34.113 -31.867 1.00 13.43 C ATOM 900 C GLY A 61 -9.421 32.960 -32.801 1.00 62.04 C ATOM 901 O GLY A 61 -8.712 33.128 -33.794 1.00 24.14 O ATOM 0 H GLY A 61 -10.112 34.070 -29.807 1.00 45.44 H new ATOM 0 HA2 GLY A 61 -10.786 34.362 -31.938 1.00 13.43 H new ATOM 0 HA3 GLY A 61 -9.170 34.994 -32.187 1.00 13.43 H new ATOM 905 N ARG A 62 -9.955 31.785 -32.484 1.00 1.22 N ATOM 906 CA ARG A 62 -9.732 30.599 -33.301 1.00 70.32 C ATOM 907 C ARG A 62 -8.269 30.167 -33.246 1.00 54.41 C ATOM 908 O ARG A 62 -7.548 30.261 -34.239 1.00 22.34 O ATOM 909 CB ARG A 62 -10.141 30.867 -34.750 1.00 53.55 C ATOM 910 CG ARG A 62 -10.464 29.607 -35.536 1.00 34.11 C ATOM 911 CD ARG A 62 -9.255 29.108 -36.310 1.00 64.33 C ATOM 912 NE ARG A 62 -9.615 28.635 -37.644 1.00 54.12 N ATOM 913 CZ ARG A 62 -9.983 29.440 -38.635 1.00 12.44 C ATOM 914 NH1 ARG A 62 -10.038 30.751 -38.442 1.00 51.11 N ATOM 915 NH2 ARG A 62 -10.297 28.935 -39.821 1.00 24.13 N ATOM 0 H ARG A 62 -10.545 31.629 -31.667 1.00 1.22 H new ATOM 0 HA ARG A 62 -10.346 29.793 -32.900 1.00 70.32 H new ATOM 0 HB2 ARG A 62 -11.012 31.522 -34.757 1.00 53.55 H new ATOM 0 HB3 ARG A 62 -9.335 31.402 -35.253 1.00 53.55 H new ATOM 0 HG2 ARG A 62 -10.807 28.829 -34.854 1.00 34.11 H new ATOM 0 HG3 ARG A 62 -11.282 29.808 -36.227 1.00 34.11 H new ATOM 0 HD2 ARG A 62 -8.523 29.911 -36.396 1.00 64.33 H new ATOM 0 HD3 ARG A 62 -8.778 28.300 -35.755 1.00 64.33 H new ATOM 0 HE ARG A 62 -9.582 27.632 -37.825 1.00 54.12 H new ATOM 0 HH11 ARG A 62 -9.798 31.143 -37.532 1.00 51.11 H new ATOM 0 HH12 ARG A 62 -10.321 31.367 -39.204 1.00 51.11 H new ATOM 0 HH21 ARG A 62 -10.256 27.927 -39.973 1.00 24.13 H new ATOM 0 HH22 ARG A 62 -10.579 29.555 -40.581 1.00 24.13 H new ATOM 929 N GLN A 63 -7.840 29.696 -32.080 1.00 12.32 N ATOM 930 CA GLN A 63 -6.464 29.252 -31.896 1.00 4.33 C ATOM 931 C GLN A 63 -6.375 27.730 -31.922 1.00 24.04 C ATOM 932 O GLN A 63 -7.289 27.036 -31.476 1.00 72.33 O ATOM 933 CB GLN A 63 -5.906 29.785 -30.575 1.00 2.21 C ATOM 934 CG GLN A 63 -5.181 31.114 -30.713 1.00 5.12 C ATOM 935 CD GLN A 63 -3.674 30.954 -30.761 1.00 42.33 C ATOM 936 OE1 GLN A 63 -3.000 30.993 -29.731 1.00 53.32 O ATOM 937 NE2 GLN A 63 -3.136 30.773 -31.962 1.00 22.13 N ATOM 0 H GLN A 63 -8.425 29.612 -31.249 1.00 12.32 H new ATOM 0 HA GLN A 63 -5.868 29.647 -32.719 1.00 4.33 H new ATOM 0 HB2 GLN A 63 -6.724 29.899 -29.864 1.00 2.21 H new ATOM 0 HB3 GLN A 63 -5.220 29.048 -30.156 1.00 2.21 H new ATOM 0 HG2 GLN A 63 -5.518 31.615 -31.620 1.00 5.12 H new ATOM 0 HG3 GLN A 63 -5.448 31.758 -29.875 1.00 5.12 H new ATOM 0 HE21 GLN A 63 -3.732 30.747 -32.789 1.00 22.13 H new ATOM 0 HE22 GLN A 63 -2.127 30.660 -32.057 1.00 22.13 H new ATOM 946 N THR A 64 -5.267 27.216 -32.447 1.00 22.54 N ATOM 947 CA THR A 64 -5.059 25.776 -32.532 1.00 62.42 C ATOM 948 C THR A 64 -4.399 25.239 -31.267 1.00 14.22 C ATOM 949 O THR A 64 -3.578 25.917 -30.647 1.00 73.31 O ATOM 950 CB THR A 64 -4.188 25.405 -33.748 1.00 12.03 C ATOM 951 OG1 THR A 64 -4.833 25.820 -34.957 1.00 31.00 O ATOM 952 CG2 THR A 64 -3.931 23.906 -33.793 1.00 13.35 C ATOM 0 H THR A 64 -4.500 27.776 -32.820 1.00 22.54 H new ATOM 0 HA THR A 64 -6.043 25.321 -32.646 1.00 62.42 H new ATOM 0 HB THR A 64 -3.231 25.919 -33.652 1.00 12.03 H new ATOM 0 HG1 THR A 64 -4.273 25.582 -35.725 1.00 31.00 H new ATOM 0 HG21 THR A 64 -3.314 23.668 -34.660 1.00 13.35 H new ATOM 0 HG22 THR A 64 -3.414 23.598 -32.884 1.00 13.35 H new ATOM 0 HG23 THR A 64 -4.881 23.376 -33.867 1.00 13.35 H new ATOM 960 N LEU A 65 -4.763 24.019 -30.888 1.00 24.21 N ATOM 961 CA LEU A 65 -4.205 23.390 -29.695 1.00 51.33 C ATOM 962 C LEU A 65 -3.782 21.954 -29.984 1.00 64.33 C ATOM 963 O LEU A 65 -4.552 21.166 -30.534 1.00 33.23 O ATOM 964 CB LEU A 65 -5.227 23.414 -28.557 1.00 70.34 C ATOM 965 CG LEU A 65 -5.589 24.794 -28.008 1.00 43.23 C ATOM 966 CD1 LEU A 65 -6.754 25.388 -28.784 1.00 14.45 C ATOM 967 CD2 LEU A 65 -5.920 24.708 -26.526 1.00 13.34 C ATOM 0 H LEU A 65 -5.442 23.445 -31.389 1.00 24.21 H new ATOM 0 HA LEU A 65 -3.323 23.955 -29.395 1.00 51.33 H new ATOM 0 HB2 LEU A 65 -6.141 22.933 -28.906 1.00 70.34 H new ATOM 0 HB3 LEU A 65 -4.841 22.809 -27.737 1.00 70.34 H new ATOM 0 HG LEU A 65 -4.727 25.450 -28.129 1.00 43.23 H new ATOM 0 HD11 LEU A 65 -6.998 26.370 -28.379 1.00 14.45 H new ATOM 0 HD12 LEU A 65 -6.479 25.486 -29.834 1.00 14.45 H new ATOM 0 HD13 LEU A 65 -7.621 24.734 -28.696 1.00 14.45 H new ATOM 0 HD21 LEU A 65 -6.175 25.700 -26.152 1.00 13.34 H new ATOM 0 HD22 LEU A 65 -6.766 24.036 -26.381 1.00 13.34 H new ATOM 0 HD23 LEU A 65 -5.056 24.326 -25.982 1.00 13.34 H new ATOM 979 N THR A 66 -2.551 21.618 -29.609 1.00 33.23 N ATOM 980 CA THR A 66 -2.025 20.276 -29.826 1.00 53.23 C ATOM 981 C THR A 66 -1.491 19.678 -28.530 1.00 13.02 C ATOM 982 O THR A 66 -0.423 20.061 -28.051 1.00 13.42 O ATOM 983 CB THR A 66 -0.901 20.277 -30.879 1.00 41.51 C ATOM 984 OG1 THR A 66 -0.656 21.613 -31.333 1.00 13.41 O ATOM 985 CG2 THR A 66 -1.266 19.393 -32.062 1.00 52.50 C ATOM 0 H THR A 66 -1.900 22.257 -29.153 1.00 33.23 H new ATOM 0 HA THR A 66 -2.853 19.667 -30.189 1.00 53.23 H new ATOM 0 HB THR A 66 0.002 19.880 -30.414 1.00 41.51 H new ATOM 0 HG1 THR A 66 0.061 21.605 -32.001 1.00 13.41 H new ATOM 0 HG21 THR A 66 -0.457 19.410 -32.792 1.00 52.50 H new ATOM 0 HG22 THR A 66 -1.423 18.371 -31.718 1.00 52.50 H new ATOM 0 HG23 THR A 66 -2.180 19.764 -32.525 1.00 52.50 H new ATOM 993 N LEU A 67 -2.240 18.736 -27.966 1.00 43.31 N ATOM 994 CA LEU A 67 -1.841 18.084 -26.724 1.00 23.41 C ATOM 995 C LEU A 67 -1.067 16.800 -27.007 1.00 71.03 C ATOM 996 O LEU A 67 -1.479 15.983 -27.831 1.00 55.14 O ATOM 997 CB LEU A 67 -3.071 17.773 -25.870 1.00 32.11 C ATOM 998 CG LEU A 67 -3.802 16.470 -26.195 1.00 73.11 C ATOM 999 CD1 LEU A 67 -3.222 15.317 -25.391 1.00 2.11 C ATOM 1000 CD2 LEU A 67 -5.293 16.613 -25.926 1.00 11.24 C ATOM 0 H LEU A 67 -3.126 18.407 -28.349 1.00 43.31 H new ATOM 0 HA LEU A 67 -1.190 18.766 -26.178 1.00 23.41 H new ATOM 0 HB2 LEU A 67 -2.764 17.743 -24.824 1.00 32.11 H new ATOM 0 HB3 LEU A 67 -3.777 18.597 -25.972 1.00 32.11 H new ATOM 0 HG LEU A 67 -3.663 16.253 -27.254 1.00 73.11 H new ATOM 0 HD11 LEU A 67 -3.755 14.398 -25.636 1.00 2.11 H new ATOM 0 HD12 LEU A 67 -2.166 15.199 -25.633 1.00 2.11 H new ATOM 0 HD13 LEU A 67 -3.329 15.526 -24.327 1.00 2.11 H new ATOM 0 HD21 LEU A 67 -5.797 15.676 -26.163 1.00 11.24 H new ATOM 0 HD22 LEU A 67 -5.452 16.855 -24.875 1.00 11.24 H new ATOM 0 HD23 LEU A 67 -5.700 17.411 -26.547 1.00 11.24 H new ATOM 1012 N HIS A 68 0.056 16.627 -26.317 1.00 40.44 N ATOM 1013 CA HIS A 68 0.886 15.441 -26.493 1.00 4.11 C ATOM 1014 C HIS A 68 1.073 14.708 -25.168 1.00 60.21 C ATOM 1015 O HIS A 68 1.454 15.308 -24.163 1.00 42.41 O ATOM 1016 CB HIS A 68 2.248 15.827 -27.072 1.00 31.11 C ATOM 1017 CG HIS A 68 2.228 16.049 -28.553 1.00 12.32 C ATOM 1018 ND1 HIS A 68 3.012 15.333 -29.432 1.00 71.12 N ATOM 1019 CD2 HIS A 68 1.511 16.914 -29.309 1.00 33.44 C ATOM 1020 CE1 HIS A 68 2.779 15.748 -30.665 1.00 3.04 C ATOM 1021 NE2 HIS A 68 1.872 16.707 -30.617 1.00 71.42 N ATOM 0 H HIS A 68 0.412 17.293 -25.631 1.00 40.44 H new ATOM 0 HA HIS A 68 0.379 14.773 -27.190 1.00 4.11 H new ATOM 0 HB2 HIS A 68 2.598 16.735 -26.581 1.00 31.11 H new ATOM 0 HB3 HIS A 68 2.968 15.042 -26.840 1.00 31.11 H new ATOM 0 HD2 HIS A 68 0.790 17.633 -28.950 1.00 33.44 H new ATOM 0 HE1 HIS A 68 3.250 15.368 -31.559 1.00 3.04 H new ATOM 0 HE2 HIS A 68 1.500 17.212 -31.421 1.00 71.42 H new ATOM 1029 N TYR A 69 0.801 13.408 -25.174 1.00 24.40 N ATOM 1030 CA TYR A 69 0.936 12.593 -23.972 1.00 42.11 C ATOM 1031 C TYR A 69 1.527 11.226 -24.304 1.00 1.23 C ATOM 1032 O TYR A 69 0.922 10.436 -25.028 1.00 42.52 O ATOM 1033 CB TYR A 69 -0.423 12.422 -23.291 1.00 41.15 C ATOM 1034 CG TYR A 69 -0.402 11.450 -22.134 1.00 32.23 C ATOM 1035 CD1 TYR A 69 -0.575 10.087 -22.342 1.00 12.11 C ATOM 1036 CD2 TYR A 69 -0.209 11.894 -20.831 1.00 44.14 C ATOM 1037 CE1 TYR A 69 -0.558 9.195 -21.287 1.00 2.50 C ATOM 1038 CE2 TYR A 69 -0.188 11.009 -19.770 1.00 52.55 C ATOM 1039 CZ TYR A 69 -0.364 9.661 -20.003 1.00 42.43 C ATOM 1040 OH TYR A 69 -0.344 8.776 -18.950 1.00 13.21 O ATOM 0 H TYR A 69 0.486 12.896 -25.998 1.00 24.40 H new ATOM 0 HA TYR A 69 1.614 13.106 -23.290 1.00 42.11 H new ATOM 0 HB2 TYR A 69 -0.765 13.393 -22.933 1.00 41.15 H new ATOM 0 HB3 TYR A 69 -1.149 12.080 -24.029 1.00 41.15 H new ATOM 0 HD1 TYR A 69 -0.725 9.718 -23.346 1.00 12.11 H new ATOM 0 HD2 TYR A 69 -0.073 12.949 -20.645 1.00 44.14 H new ATOM 0 HE1 TYR A 69 -0.696 8.139 -21.466 1.00 2.50 H new ATOM 0 HE2 TYR A 69 -0.035 11.371 -18.764 1.00 52.55 H new ATOM 0 HH TYR A 69 -0.196 9.266 -18.114 1.00 13.21 H new ATOM 1050 N GLN A 70 2.713 10.955 -23.767 1.00 55.31 N ATOM 1051 CA GLN A 70 3.386 9.684 -24.006 1.00 10.33 C ATOM 1052 C GLN A 70 3.764 9.536 -25.476 1.00 33.22 C ATOM 1053 O GLN A 70 4.899 9.804 -25.865 1.00 65.33 O ATOM 1054 CB GLN A 70 2.491 8.520 -23.577 1.00 12.42 C ATOM 1055 CG GLN A 70 2.883 7.912 -22.240 1.00 61.43 C ATOM 1056 CD GLN A 70 4.106 7.021 -22.341 1.00 1.51 C ATOM 1057 OE1 GLN A 70 4.076 5.977 -22.992 1.00 30.31 O ATOM 1058 NE2 GLN A 70 5.192 7.431 -21.695 1.00 53.42 N ATOM 0 H GLN A 70 3.227 11.598 -23.164 1.00 55.31 H new ATOM 0 HA GLN A 70 4.300 9.668 -23.412 1.00 10.33 H new ATOM 0 HB2 GLN A 70 1.459 8.867 -23.520 1.00 12.42 H new ATOM 0 HB3 GLN A 70 2.525 7.745 -24.343 1.00 12.42 H new ATOM 0 HG2 GLN A 70 3.078 8.711 -21.525 1.00 61.43 H new ATOM 0 HG3 GLN A 70 2.047 7.332 -21.850 1.00 61.43 H new ATOM 0 HE21 GLN A 70 5.172 8.304 -21.167 1.00 53.42 H new ATOM 0 HE22 GLN A 70 6.045 6.873 -21.727 1.00 53.42 H new ATOM 1067 N GLY A 71 2.803 9.106 -26.288 1.00 52.44 N ATOM 1068 CA GLY A 71 3.055 8.929 -27.707 1.00 12.24 C ATOM 1069 C GLY A 71 1.846 9.268 -28.557 1.00 24.52 C ATOM 1070 O GLY A 71 1.815 8.968 -29.751 1.00 12.11 O ATOM 0 H GLY A 71 1.855 8.877 -25.989 1.00 52.44 H new ATOM 0 HA2 GLY A 71 3.893 9.559 -28.005 1.00 12.24 H new ATOM 0 HA3 GLY A 71 3.349 7.896 -27.895 1.00 12.24 H new ATOM 1074 N HIS A 72 0.847 9.892 -27.941 1.00 45.11 N ATOM 1075 CA HIS A 72 -0.370 10.270 -28.650 1.00 11.55 C ATOM 1076 C HIS A 72 -0.474 11.787 -28.779 1.00 51.12 C ATOM 1077 O HIS A 72 0.035 12.527 -27.938 1.00 41.13 O ATOM 1078 CB HIS A 72 -1.599 9.724 -27.923 1.00 31.42 C ATOM 1079 CG HIS A 72 -2.125 8.450 -28.510 1.00 42.11 C ATOM 1080 ND1 HIS A 72 -3.226 8.402 -29.339 1.00 64.12 N ATOM 1081 CD2 HIS A 72 -1.693 7.173 -28.386 1.00 13.35 C ATOM 1082 CE1 HIS A 72 -3.449 7.150 -29.698 1.00 14.32 C ATOM 1083 NE2 HIS A 72 -2.533 6.385 -29.133 1.00 32.22 N ATOM 0 H HIS A 72 0.856 10.146 -26.953 1.00 45.11 H new ATOM 0 HA HIS A 72 -0.327 9.839 -29.650 1.00 11.55 H new ATOM 0 HB2 HIS A 72 -1.347 9.555 -26.876 1.00 31.42 H new ATOM 0 HB3 HIS A 72 -2.387 10.477 -27.943 1.00 31.42 H new ATOM 0 HD2 HIS A 72 -0.845 6.837 -27.807 1.00 13.35 H new ATOM 0 HE1 HIS A 72 -4.245 6.810 -30.344 1.00 14.32 H new ATOM 0 HE2 HIS A 72 -2.461 5.373 -29.235 1.00 32.22 H new ATOM 1091 N GLU A 73 -1.136 12.242 -29.839 1.00 33.34 N ATOM 1092 CA GLU A 73 -1.305 13.670 -30.078 1.00 2.20 C ATOM 1093 C GLU A 73 -2.725 13.980 -30.543 1.00 1.14 C ATOM 1094 O GLU A 73 -3.280 13.280 -31.390 1.00 44.31 O ATOM 1095 CB GLU A 73 -0.297 14.157 -31.121 1.00 53.35 C ATOM 1096 CG GLU A 73 -0.459 13.495 -32.479 1.00 53.35 C ATOM 1097 CD GLU A 73 0.595 13.940 -33.475 1.00 15.31 C ATOM 1098 OE1 GLU A 73 0.542 15.108 -33.913 1.00 53.33 O ATOM 1099 OE2 GLU A 73 1.472 13.120 -33.815 1.00 64.31 O ATOM 0 H GLU A 73 -1.563 11.642 -30.545 1.00 33.34 H new ATOM 0 HA GLU A 73 -1.127 14.193 -29.139 1.00 2.20 H new ATOM 0 HB2 GLU A 73 -0.400 15.236 -31.237 1.00 53.35 H new ATOM 0 HB3 GLU A 73 0.712 13.971 -30.753 1.00 53.35 H new ATOM 0 HG2 GLU A 73 -0.407 12.413 -32.360 1.00 53.35 H new ATOM 0 HG3 GLU A 73 -1.448 13.725 -32.875 1.00 53.35 H new ATOM 1106 N VAL A 74 -3.308 15.034 -29.981 1.00 13.22 N ATOM 1107 CA VAL A 74 -4.663 15.438 -30.337 1.00 12.21 C ATOM 1108 C VAL A 74 -4.713 16.912 -30.724 1.00 15.03 C ATOM 1109 O VAL A 74 -4.106 17.758 -30.067 1.00 33.21 O ATOM 1110 CB VAL A 74 -5.646 15.189 -29.178 1.00 11.25 C ATOM 1111 CG1 VAL A 74 -7.080 15.398 -29.639 1.00 14.20 C ATOM 1112 CG2 VAL A 74 -5.458 13.790 -28.611 1.00 70.13 C ATOM 0 H VAL A 74 -2.863 15.624 -29.277 1.00 13.22 H new ATOM 0 HA VAL A 74 -4.960 14.831 -31.192 1.00 12.21 H new ATOM 0 HB VAL A 74 -5.436 15.908 -28.386 1.00 11.25 H new ATOM 0 HG11 VAL A 74 -7.760 15.217 -28.806 1.00 14.20 H new ATOM 0 HG12 VAL A 74 -7.203 16.422 -29.993 1.00 14.20 H new ATOM 0 HG13 VAL A 74 -7.306 14.705 -30.449 1.00 14.20 H new ATOM 0 HG21 VAL A 74 -6.161 13.631 -27.793 1.00 70.13 H new ATOM 0 HG22 VAL A 74 -5.639 13.053 -29.393 1.00 70.13 H new ATOM 0 HG23 VAL A 74 -4.439 13.682 -28.240 1.00 70.13 H new ATOM 1122 N SER A 75 -5.442 17.213 -31.794 1.00 61.20 N ATOM 1123 CA SER A 75 -5.569 18.585 -32.271 1.00 73.10 C ATOM 1124 C SER A 75 -7.002 19.084 -32.113 1.00 12.35 C ATOM 1125 O SER A 75 -7.959 18.359 -32.387 1.00 4.12 O ATOM 1126 CB SER A 75 -5.144 18.679 -33.737 1.00 63.05 C ATOM 1127 OG SER A 75 -4.696 19.985 -34.056 1.00 14.41 O ATOM 0 H SER A 75 -5.954 16.525 -32.347 1.00 61.20 H new ATOM 0 HA SER A 75 -4.914 19.215 -31.669 1.00 73.10 H new ATOM 0 HB2 SER A 75 -4.349 17.960 -33.935 1.00 63.05 H new ATOM 0 HB3 SER A 75 -5.983 18.412 -34.380 1.00 63.05 H new ATOM 0 HG SER A 75 -4.429 20.018 -34.998 1.00 14.41 H new ATOM 1133 N PHE A 76 -7.142 20.329 -31.668 1.00 35.33 N ATOM 1134 CA PHE A 76 -8.458 20.926 -31.471 1.00 0.50 C ATOM 1135 C PHE A 76 -8.406 22.437 -31.679 1.00 44.15 C ATOM 1136 O PHE A 76 -7.330 23.017 -31.826 1.00 3.40 O ATOM 1137 CB PHE A 76 -8.980 20.612 -30.068 1.00 21.25 C ATOM 1138 CG PHE A 76 -9.963 19.477 -30.034 1.00 54.02 C ATOM 1139 CD1 PHE A 76 -9.525 18.165 -29.961 1.00 62.32 C ATOM 1140 CD2 PHE A 76 -11.326 19.723 -30.075 1.00 74.43 C ATOM 1141 CE1 PHE A 76 -10.428 17.119 -29.931 1.00 62.22 C ATOM 1142 CE2 PHE A 76 -12.234 18.681 -30.045 1.00 71.32 C ATOM 1143 CZ PHE A 76 -11.784 17.377 -29.972 1.00 10.10 C ATOM 0 H PHE A 76 -6.361 20.943 -31.437 1.00 35.33 H new ATOM 0 HA PHE A 76 -9.137 20.498 -32.208 1.00 0.50 H new ATOM 0 HB2 PHE A 76 -8.137 20.371 -29.421 1.00 21.25 H new ATOM 0 HB3 PHE A 76 -9.453 21.504 -29.657 1.00 21.25 H new ATOM 0 HD1 PHE A 76 -8.466 17.957 -29.927 1.00 62.32 H new ATOM 0 HD2 PHE A 76 -11.683 20.741 -30.131 1.00 74.43 H new ATOM 0 HE1 PHE A 76 -10.073 16.100 -29.876 1.00 62.22 H new ATOM 0 HE2 PHE A 76 -13.294 18.886 -30.079 1.00 71.32 H new ATOM 0 HZ PHE A 76 -12.491 16.561 -29.947 1.00 10.10 H new ATOM 1153 N ASP A 77 -9.575 23.067 -31.692 1.00 41.31 N ATOM 1154 CA ASP A 77 -9.664 24.510 -31.882 1.00 43.51 C ATOM 1155 C ASP A 77 -10.362 25.172 -30.699 1.00 14.44 C ATOM 1156 O ASP A 77 -11.280 24.603 -30.108 1.00 72.31 O ATOM 1157 CB ASP A 77 -10.413 24.831 -33.177 1.00 24.23 C ATOM 1158 CG ASP A 77 -11.671 24.001 -33.338 1.00 62.53 C ATOM 1159 OD1 ASP A 77 -12.620 24.203 -32.552 1.00 63.04 O ATOM 1160 OD2 ASP A 77 -11.706 23.148 -34.250 1.00 73.32 O ATOM 0 H ASP A 77 -10.475 22.601 -31.573 1.00 41.31 H new ATOM 0 HA ASP A 77 -8.650 24.905 -31.950 1.00 43.51 H new ATOM 0 HB2 ASP A 77 -10.675 25.889 -33.189 1.00 24.23 H new ATOM 0 HB3 ASP A 77 -9.754 24.656 -34.028 1.00 24.23 H new ATOM 1165 N VAL A 78 -9.921 26.379 -30.356 1.00 71.34 N ATOM 1166 CA VAL A 78 -10.504 27.119 -29.243 1.00 63.43 C ATOM 1167 C VAL A 78 -11.102 28.439 -29.715 1.00 11.24 C ATOM 1168 O VAL A 78 -10.524 29.131 -30.554 1.00 74.34 O ATOM 1169 CB VAL A 78 -9.457 27.403 -28.149 1.00 74.04 C ATOM 1170 CG1 VAL A 78 -8.434 28.416 -28.640 1.00 30.14 C ATOM 1171 CG2 VAL A 78 -10.136 27.890 -26.878 1.00 5.50 C ATOM 0 H VAL A 78 -9.162 26.865 -30.833 1.00 71.34 H new ATOM 0 HA VAL A 78 -11.294 26.495 -28.826 1.00 63.43 H new ATOM 0 HB VAL A 78 -8.932 26.475 -27.921 1.00 74.04 H new ATOM 0 HG11 VAL A 78 -7.702 28.604 -27.854 1.00 30.14 H new ATOM 0 HG12 VAL A 78 -7.927 28.023 -29.521 1.00 30.14 H new ATOM 0 HG13 VAL A 78 -8.939 29.347 -28.897 1.00 30.14 H new ATOM 0 HG21 VAL A 78 -9.383 28.086 -26.115 1.00 5.50 H new ATOM 0 HG22 VAL A 78 -10.687 28.807 -27.088 1.00 5.50 H new ATOM 0 HG23 VAL A 78 -10.826 27.127 -26.519 1.00 5.50 H new ATOM 1181 N LEU A 79 -12.263 28.785 -29.169 1.00 22.54 N ATOM 1182 CA LEU A 79 -12.941 30.024 -29.532 1.00 62.14 C ATOM 1183 C LEU A 79 -13.569 30.680 -28.308 1.00 15.54 C ATOM 1184 O LEU A 79 -14.246 30.023 -27.516 1.00 53.45 O ATOM 1185 CB LEU A 79 -14.015 29.750 -30.586 1.00 52.34 C ATOM 1186 CG LEU A 79 -14.617 30.980 -31.266 1.00 15.50 C ATOM 1187 CD1 LEU A 79 -13.860 31.309 -32.543 1.00 51.31 C ATOM 1188 CD2 LEU A 79 -16.094 30.757 -31.562 1.00 5.45 C ATOM 0 H LEU A 79 -12.754 28.224 -28.473 1.00 22.54 H new ATOM 0 HA LEU A 79 -12.200 30.707 -29.946 1.00 62.14 H new ATOM 0 HB2 LEU A 79 -13.585 29.108 -31.355 1.00 52.34 H new ATOM 0 HB3 LEU A 79 -14.822 29.188 -30.116 1.00 52.34 H new ATOM 0 HG LEU A 79 -14.527 31.827 -30.586 1.00 15.50 H new ATOM 0 HD11 LEU A 79 -14.303 32.187 -33.013 1.00 51.31 H new ATOM 0 HD12 LEU A 79 -12.816 31.513 -32.305 1.00 51.31 H new ATOM 0 HD13 LEU A 79 -13.917 30.463 -33.228 1.00 51.31 H new ATOM 0 HD21 LEU A 79 -16.506 31.643 -32.046 1.00 5.45 H new ATOM 0 HD22 LEU A 79 -16.207 29.897 -32.222 1.00 5.45 H new ATOM 0 HD23 LEU A 79 -16.628 30.571 -30.630 1.00 5.45 H new ATOM 1200 N VAL A 80 -13.343 31.982 -28.158 1.00 61.22 N ATOM 1201 CA VAL A 80 -13.890 32.729 -27.032 1.00 23.44 C ATOM 1202 C VAL A 80 -15.173 33.453 -27.423 1.00 61.42 C ATOM 1203 O VAL A 80 -15.254 34.059 -28.491 1.00 54.32 O ATOM 1204 CB VAL A 80 -12.876 33.757 -26.495 1.00 53.12 C ATOM 1205 CG1 VAL A 80 -12.596 34.826 -27.540 1.00 63.25 C ATOM 1206 CG2 VAL A 80 -13.385 34.382 -25.205 1.00 3.12 C ATOM 0 H VAL A 80 -12.784 32.541 -28.803 1.00 61.22 H new ATOM 0 HA VAL A 80 -14.111 32.004 -26.249 1.00 23.44 H new ATOM 0 HB VAL A 80 -11.941 33.241 -26.278 1.00 53.12 H new ATOM 0 HG11 VAL A 80 -11.878 35.543 -27.143 1.00 63.25 H new ATOM 0 HG12 VAL A 80 -12.186 34.360 -28.436 1.00 63.25 H new ATOM 0 HG13 VAL A 80 -13.523 35.342 -27.791 1.00 63.25 H new ATOM 0 HG21 VAL A 80 -12.657 35.106 -24.839 1.00 3.12 H new ATOM 0 HG22 VAL A 80 -14.333 34.885 -25.394 1.00 3.12 H new ATOM 0 HG23 VAL A 80 -13.530 33.603 -24.456 1.00 3.12 H new ATOM 1216 N SER A 81 -16.174 33.385 -26.551 1.00 62.22 N ATOM 1217 CA SER A 81 -17.456 34.031 -26.807 1.00 44.20 C ATOM 1218 C SER A 81 -17.786 35.036 -25.708 1.00 10.41 C ATOM 1219 O SER A 81 -17.234 34.997 -24.608 1.00 64.33 O ATOM 1220 CB SER A 81 -18.567 32.985 -26.908 1.00 13.01 C ATOM 1221 OG SER A 81 -18.747 32.559 -28.248 1.00 25.05 O ATOM 0 H SER A 81 -16.122 32.889 -25.661 1.00 62.22 H new ATOM 0 HA SER A 81 -17.383 34.565 -27.754 1.00 44.20 H new ATOM 0 HB2 SER A 81 -18.322 32.128 -26.281 1.00 13.01 H new ATOM 0 HB3 SER A 81 -19.499 33.402 -26.528 1.00 13.01 H new ATOM 0 HG SER A 81 -19.461 31.889 -28.285 1.00 25.05 H new ATOM 1227 N PRO A 82 -18.710 35.961 -26.011 1.00 24.22 N ATOM 1228 CA PRO A 82 -19.136 36.994 -25.063 1.00 2.34 C ATOM 1229 C PRO A 82 -19.947 36.421 -23.906 1.00 74.20 C ATOM 1230 O PRO A 82 -20.755 35.510 -24.092 1.00 24.23 O ATOM 1231 CB PRO A 82 -20.004 37.923 -25.916 1.00 65.41 C ATOM 1232 CG PRO A 82 -20.503 37.061 -27.024 1.00 53.32 C ATOM 1233 CD PRO A 82 -19.409 36.068 -27.302 1.00 73.20 C ATOM 0 HA PRO A 82 -18.287 37.492 -24.595 1.00 2.34 H new ATOM 0 HB2 PRO A 82 -20.828 38.339 -25.336 1.00 65.41 H new ATOM 0 HB3 PRO A 82 -19.426 38.765 -26.298 1.00 65.41 H new ATOM 0 HG2 PRO A 82 -21.426 36.555 -26.740 1.00 53.32 H new ATOM 0 HG3 PRO A 82 -20.725 37.655 -27.911 1.00 53.32 H new ATOM 0 HD2 PRO A 82 -19.811 35.107 -27.622 1.00 73.20 H new ATOM 0 HD3 PRO A 82 -18.743 36.415 -28.092 1.00 73.20 H new ATOM 1241 N LYS A 83 -19.729 36.960 -22.711 1.00 62.24 N ATOM 1242 CA LYS A 83 -20.441 36.503 -21.524 1.00 1.43 C ATOM 1243 C LYS A 83 -21.947 36.491 -21.764 1.00 12.25 C ATOM 1244 O LYS A 83 -22.473 37.317 -22.509 1.00 70.23 O ATOM 1245 CB LYS A 83 -20.111 37.402 -20.330 1.00 32.15 C ATOM 1246 CG LYS A 83 -20.297 36.720 -18.985 1.00 74.33 C ATOM 1247 CD LYS A 83 -19.704 37.543 -17.855 1.00 4.41 C ATOM 1248 CE LYS A 83 -19.603 36.736 -16.570 1.00 60.30 C ATOM 1249 NZ LYS A 83 -18.427 37.141 -15.751 1.00 14.03 N ATOM 0 H LYS A 83 -19.064 37.714 -22.539 1.00 62.24 H new ATOM 0 HA LYS A 83 -20.118 35.485 -21.306 1.00 1.43 H new ATOM 0 HB2 LYS A 83 -19.079 37.742 -20.416 1.00 32.15 H new ATOM 0 HB3 LYS A 83 -20.743 38.289 -20.368 1.00 32.15 H new ATOM 0 HG2 LYS A 83 -21.359 36.560 -18.801 1.00 74.33 H new ATOM 0 HG3 LYS A 83 -19.826 35.737 -19.006 1.00 74.33 H new ATOM 0 HD2 LYS A 83 -18.714 37.897 -18.142 1.00 4.41 H new ATOM 0 HD3 LYS A 83 -20.321 38.425 -17.684 1.00 4.41 H new ATOM 0 HE2 LYS A 83 -20.514 36.867 -15.986 1.00 60.30 H new ATOM 0 HE3 LYS A 83 -19.529 35.676 -16.812 1.00 60.30 H new ATOM 0 HZ1 LYS A 83 -18.394 36.568 -14.884 1.00 14.03 H new ATOM 0 HZ2 LYS A 83 -17.555 36.992 -16.298 1.00 14.03 H new ATOM 0 HZ3 LYS A 83 -18.510 38.146 -15.498 1.00 14.03 H new ATOM 1263 N ALA A 84 -22.636 35.551 -21.125 1.00 62.43 N ATOM 1264 CA ALA A 84 -24.082 35.434 -21.267 1.00 22.21 C ATOM 1265 C ALA A 84 -24.650 34.418 -20.282 1.00 24.32 C ATOM 1266 O ALA A 84 -25.614 33.716 -20.586 1.00 11.53 O ATOM 1267 CB ALA A 84 -24.443 35.047 -22.694 1.00 0.55 C ATOM 0 H ALA A 84 -22.216 34.859 -20.504 1.00 62.43 H new ATOM 0 HA ALA A 84 -24.524 36.405 -21.043 1.00 22.21 H new ATOM 0 HB1 ALA A 84 -25.526 34.963 -22.785 1.00 0.55 H new ATOM 0 HB2 ALA A 84 -24.079 35.811 -23.381 1.00 0.55 H new ATOM 0 HB3 ALA A 84 -23.983 34.090 -22.939 1.00 0.55 H new ATOM 1273 N ALA A 85 -24.044 34.343 -19.101 1.00 15.31 N ATOM 1274 CA ALA A 85 -24.491 33.414 -18.071 1.00 30.31 C ATOM 1275 C ALA A 85 -24.649 34.117 -16.727 1.00 52.43 C ATOM 1276 O ALA A 85 -24.474 35.333 -16.627 1.00 32.41 O ATOM 1277 CB ALA A 85 -23.515 32.253 -17.949 1.00 33.40 C ATOM 0 H ALA A 85 -23.242 34.915 -18.834 1.00 15.31 H new ATOM 0 HA ALA A 85 -25.466 33.027 -18.365 1.00 30.31 H new ATOM 0 HB1 ALA A 85 -23.861 31.567 -17.176 1.00 33.40 H new ATOM 0 HB2 ALA A 85 -23.455 31.726 -18.902 1.00 33.40 H new ATOM 0 HB3 ALA A 85 -22.529 32.633 -17.682 1.00 33.40 H new ATOM 1283 N LEU A 86 -24.982 33.348 -15.697 1.00 62.51 N ATOM 1284 CA LEU A 86 -25.164 33.898 -14.358 1.00 75.44 C ATOM 1285 C LEU A 86 -24.307 33.151 -13.341 1.00 52.23 C ATOM 1286 O LEU A 86 -24.208 31.926 -13.379 1.00 62.42 O ATOM 1287 CB LEU A 86 -26.637 33.825 -13.952 1.00 75.33 C ATOM 1288 CG LEU A 86 -27.022 34.586 -12.683 1.00 73.31 C ATOM 1289 CD1 LEU A 86 -28.410 35.191 -12.824 1.00 34.13 C ATOM 1290 CD2 LEU A 86 -26.959 33.668 -11.471 1.00 62.20 C ATOM 0 H LEU A 86 -25.132 32.341 -15.763 1.00 62.51 H new ATOM 0 HA LEU A 86 -24.849 34.941 -14.374 1.00 75.44 H new ATOM 0 HB2 LEU A 86 -27.240 34.205 -14.777 1.00 75.33 H new ATOM 0 HB3 LEU A 86 -26.905 32.777 -13.818 1.00 75.33 H new ATOM 0 HG LEU A 86 -26.308 35.397 -12.537 1.00 73.31 H new ATOM 0 HD11 LEU A 86 -28.667 35.729 -11.911 1.00 34.13 H new ATOM 0 HD12 LEU A 86 -28.422 35.881 -13.667 1.00 34.13 H new ATOM 0 HD13 LEU A 86 -29.137 34.397 -12.994 1.00 34.13 H new ATOM 0 HD21 LEU A 86 -27.236 34.226 -10.577 1.00 62.20 H new ATOM 0 HD22 LEU A 86 -27.650 32.836 -11.608 1.00 62.20 H new ATOM 0 HD23 LEU A 86 -25.946 33.283 -11.359 1.00 62.20 H new ATOM 1302 N ASN A 87 -23.691 33.899 -12.432 1.00 15.35 N ATOM 1303 CA ASN A 87 -22.844 33.308 -11.402 1.00 42.05 C ATOM 1304 C ASN A 87 -22.899 34.126 -10.116 1.00 34.02 C ATOM 1305 O ASN A 87 -22.999 35.353 -10.152 1.00 24.43 O ATOM 1306 CB ASN A 87 -21.399 33.211 -11.896 1.00 60.13 C ATOM 1307 CG ASN A 87 -20.788 31.849 -11.631 1.00 63.41 C ATOM 1308 OD1 ASN A 87 -21.427 30.818 -11.841 1.00 63.44 O ATOM 1309 ND2 ASN A 87 -19.544 31.839 -11.166 1.00 63.13 N ATOM 0 H ASN A 87 -23.762 34.916 -12.387 1.00 15.35 H new ATOM 0 HA ASN A 87 -23.218 32.306 -11.190 1.00 42.05 H new ATOM 0 HB2 ASN A 87 -21.369 33.418 -12.966 1.00 60.13 H new ATOM 0 HB3 ASN A 87 -20.798 33.977 -11.406 1.00 60.13 H new ATOM 0 HD21 ASN A 87 -19.081 30.952 -10.968 1.00 63.13 H new ATOM 0 HD22 ASN A 87 -19.052 32.718 -11.007 1.00 63.13 H new ATOM 1316 N ASP A 88 -22.834 33.438 -8.981 1.00 52.41 N ATOM 1317 CA ASP A 88 -22.875 34.101 -7.682 1.00 73.54 C ATOM 1318 C ASP A 88 -21.843 33.500 -6.733 1.00 73.52 C ATOM 1319 O ASP A 88 -21.343 32.399 -6.962 1.00 43.13 O ATOM 1320 CB ASP A 88 -24.274 33.988 -7.073 1.00 5.42 C ATOM 1321 CG ASP A 88 -24.671 32.552 -6.796 1.00 70.32 C ATOM 1322 OD1 ASP A 88 -24.160 31.973 -5.815 1.00 21.25 O ATOM 1323 OD2 ASP A 88 -25.494 32.007 -7.561 1.00 22.51 O ATOM 0 H ASP A 88 -22.753 32.422 -8.934 1.00 52.41 H new ATOM 0 HA ASP A 88 -22.636 35.154 -7.830 1.00 73.54 H new ATOM 0 HB2 ASP A 88 -24.310 34.557 -6.144 1.00 5.42 H new ATOM 0 HB3 ASP A 88 -24.999 34.438 -7.751 1.00 5.42 H new ATOM 1328 N GLU A 89 -21.530 34.231 -5.668 1.00 21.40 N ATOM 1329 CA GLU A 89 -20.556 33.769 -4.686 1.00 1.54 C ATOM 1330 C GLU A 89 -21.213 32.856 -3.655 1.00 13.21 C ATOM 1331 O GLU A 89 -22.404 32.981 -3.371 1.00 72.42 O ATOM 1332 CB GLU A 89 -19.903 34.962 -3.984 1.00 23.13 C ATOM 1333 CG GLU A 89 -18.536 35.322 -4.541 1.00 23.04 C ATOM 1334 CD GLU A 89 -17.821 36.365 -3.704 1.00 0.04 C ATOM 1335 OE1 GLU A 89 -18.426 36.859 -2.729 1.00 52.33 O ATOM 1336 OE2 GLU A 89 -16.658 36.687 -4.023 1.00 4.24 O ATOM 0 H GLU A 89 -21.936 35.144 -5.463 1.00 21.40 H new ATOM 0 HA GLU A 89 -19.789 33.201 -5.212 1.00 1.54 H new ATOM 0 HB2 GLU A 89 -20.560 35.827 -4.069 1.00 23.13 H new ATOM 0 HB3 GLU A 89 -19.806 34.739 -2.921 1.00 23.13 H new ATOM 0 HG2 GLU A 89 -17.922 34.423 -4.596 1.00 23.04 H new ATOM 0 HG3 GLU A 89 -18.649 35.694 -5.559 1.00 23.04 H new TER 1343 GLU A 89