USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -144:sc= -0.996 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.291 K(o=-1.3,f=-4.7!) USER MOD Set 2.1: A 7 THR OG1 : rot -91:sc= 0.2 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.382 (180deg=-0.399) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -85:sc= 0.0645 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.3 (180deg=0.864) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc=-0.00131 (180deg=-0.119) USER MOD Single : A 40 GLN : amide:sc= -0.0183 K(o=-0.018,f=-1.6) USER MOD Single : A 41 GLN : amide:sc= -1.97! C(o=-2!,f=-6.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-1.6!,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 -80:sc= -0.0411 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.163 F(o=-1.4,f=-0.16) USER MOD Single : A 62 GLN : amide:sc= -0.524 X(o=-0.52,f=-0.47) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc=-0.00643 (180deg=-0.176) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.173 X(o=-0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.781 24.656 2.495 1.00 49.53 N ATOM 2 CA MET A 1 26.669 25.600 2.708 1.00 50.07 C ATOM 3 C MET A 1 27.134 26.932 3.343 1.00 50.51 C ATOM 4 O MET A 1 28.226 26.972 3.908 1.00 49.49 O ATOM 5 CB MET A 1 25.594 24.953 3.579 1.00 49.82 C ATOM 6 CG MET A 1 25.077 23.620 3.055 1.00 49.86 C ATOM 7 SD MET A 1 24.019 23.807 1.607 1.00 49.91 S ATOM 8 CE MET A 1 23.937 22.115 1.026 1.00 49.78 C ATOM 0 H1 MET A 1 27.443 23.839 1.947 1.00 49.53 H new ATOM 0 H2 MET A 1 28.545 25.131 1.973 1.00 49.53 H new ATOM 0 H3 MET A 1 28.141 24.331 3.415 1.00 49.53 H new ATOM 0 HA MET A 1 26.257 25.838 1.727 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.997 24.804 4.581 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.755 25.643 3.672 1.00 49.82 H new ATOM 0 HG2 MET A 1 25.923 22.981 2.802 1.00 49.86 H new ATOM 0 HG3 MET A 1 24.520 23.115 3.844 1.00 49.86 H new ATOM 0 HE1 MET A 1 23.315 22.067 0.132 1.00 49.78 H new ATOM 0 HE2 MET A 1 24.941 21.763 0.789 1.00 49.78 H new ATOM 0 HE3 MET A 1 23.505 21.484 1.803 1.00 49.78 H new ATOM 18 N GLN A 2 26.285 27.909 3.214 1.00 49.53 N ATOM 19 CA GLN A 2 26.609 29.237 3.824 1.00 50.07 C ATOM 20 C GLN A 2 26.088 29.204 5.253 1.00 50.51 C ATOM 21 O GLN A 2 25.129 28.467 5.614 1.00 49.49 O ATOM 22 CB GLN A 2 25.954 30.378 3.041 1.00 49.82 C ATOM 23 CG GLN A 2 26.604 30.663 1.698 1.00 49.82 C ATOM 24 CD GLN A 2 25.775 31.603 0.842 1.00 50.55 C ATOM 25 OE1 GLN A 2 24.764 31.205 0.259 1.00 49.45 O ATOM 26 NE2 GLN A 2 26.202 32.858 0.760 1.00 49.38 N ATOM 0 H GLN A 2 25.393 27.854 2.722 1.00 49.53 H new ATOM 0 HA GLN A 2 27.684 29.415 3.802 1.00 50.07 H new ATOM 0 HB2 GLN A 2 24.903 30.137 2.880 1.00 49.82 H new ATOM 0 HB3 GLN A 2 25.984 31.284 3.647 1.00 49.82 H new ATOM 0 HG2 GLN A 2 27.590 31.098 1.860 1.00 49.82 H new ATOM 0 HG3 GLN A 2 26.753 29.725 1.163 1.00 49.82 H new ATOM 0 HE21 GLN A 2 27.044 33.144 1.259 1.00 49.38 H new ATOM 0 HE22 GLN A 2 25.688 33.536 0.198 1.00 49.38 H new ATOM 35 N ILE A 3 26.754 29.962 6.111 1.00 49.53 N ATOM 36 CA ILE A 3 26.273 30.140 7.495 1.00 50.07 C ATOM 37 C ILE A 3 26.721 31.577 7.895 1.00 50.51 C ATOM 38 O ILE A 3 27.765 31.968 7.400 1.00 49.49 O ATOM 39 CB ILE A 3 26.876 29.107 8.465 1.00 49.91 C ATOM 40 CG1 ILE A 3 26.236 29.237 9.849 1.00 49.82 C ATOM 41 CG2 ILE A 3 28.385 29.278 8.554 1.00 49.73 C ATOM 42 CD1 ILE A 3 26.547 28.084 10.777 1.00 49.73 C ATOM 0 H ILE A 3 27.616 30.461 5.890 1.00 49.53 H new ATOM 0 HA ILE A 3 25.194 29.999 7.550 1.00 50.07 H new ATOM 0 HB ILE A 3 26.666 28.108 8.082 1.00 49.91 H new ATOM 0 HG12 ILE A 3 26.576 30.164 10.310 1.00 49.82 H new ATOM 0 HG13 ILE A 3 25.155 29.316 9.733 1.00 49.82 H new ATOM 0 HG21 ILE A 3 28.795 28.540 9.244 1.00 49.73 H new ATOM 0 HG22 ILE A 3 28.826 29.137 7.567 1.00 49.73 H new ATOM 0 HG23 ILE A 3 28.617 30.280 8.915 1.00 49.73 H new ATOM 0 HD11 ILE A 3 26.059 28.248 11.738 1.00 49.73 H new ATOM 0 HD12 ILE A 3 26.182 27.155 10.338 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.625 28.016 10.925 1.00 49.73 H new ATOM 54 N PHE A 4 25.876 32.188 8.690 1.00 49.53 N ATOM 55 CA PHE A 4 26.231 33.586 9.140 1.00 50.07 C ATOM 56 C PHE A 4 26.465 33.617 10.624 1.00 50.51 C ATOM 57 O PHE A 4 25.610 33.054 11.325 1.00 49.49 O ATOM 58 CB PHE A 4 25.125 34.572 8.758 1.00 49.82 C ATOM 59 CG PHE A 4 24.952 34.743 7.276 1.00 50.00 C ATOM 60 CD1 PHE A 4 25.873 35.467 6.533 1.00 49.88 C ATOM 61 CD2 PHE A 4 23.866 34.180 6.621 1.00 49.88 C ATOM 62 CE1 PHE A 4 25.714 35.627 5.171 1.00 49.88 C ATOM 63 CE2 PHE A 4 23.705 34.337 5.256 1.00 49.88 C ATOM 64 CZ PHE A 4 24.629 35.060 4.532 1.00 49.88 C ATOM 0 H PHE A 4 24.995 31.809 9.037 1.00 49.53 H new ATOM 0 HA PHE A 4 27.150 33.884 8.636 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.183 34.231 9.188 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.346 35.542 9.203 1.00 49.82 H new ATOM 0 HD1 PHE A 4 26.725 35.911 7.026 1.00 49.88 H new ATOM 0 HD2 PHE A 4 23.139 33.613 7.183 1.00 49.88 H new ATOM 0 HE1 PHE A 4 26.438 36.195 4.606 1.00 49.88 H new ATOM 0 HE2 PHE A 4 22.856 33.893 4.758 1.00 49.88 H new ATOM 0 HZ PHE A 4 24.504 35.183 3.466 1.00 49.88 H new ATOM 74 N VAL A 5 27.508 34.261 11.137 1.00 49.53 N ATOM 75 CA VAL A 5 27.710 34.382 12.567 1.00 50.07 C ATOM 76 C VAL A 5 27.747 35.814 13.151 1.00 50.51 C ATOM 77 O VAL A 5 28.514 36.572 12.545 1.00 49.49 O ATOM 78 CB VAL A 5 29.002 33.660 12.994 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.295 33.920 14.464 1.00 49.73 C ATOM 80 CG2 VAL A 5 28.892 32.167 12.729 1.00 49.73 C ATOM 0 H VAL A 5 28.230 34.709 10.573 1.00 49.53 H new ATOM 0 HA VAL A 5 26.813 33.919 12.979 1.00 50.07 H new ATOM 0 HB VAL A 5 29.828 34.054 12.402 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.211 33.403 14.749 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.417 34.991 14.627 1.00 49.73 H new ATOM 0 HG13 VAL A 5 28.467 33.553 15.070 1.00 49.73 H new ATOM 0 HG21 VAL A 5 29.814 31.674 13.037 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.055 31.758 13.295 1.00 49.73 H new ATOM 0 HG23 VAL A 5 28.728 31.997 11.665 1.00 49.73 H new ATOM 90 N LYS A 6 26.971 36.066 14.147 1.00 49.53 N ATOM 91 CA LYS A 6 26.917 37.446 14.742 1.00 50.07 C ATOM 92 C LYS A 6 27.841 37.618 15.916 1.00 50.51 C ATOM 93 O LYS A 6 27.695 36.918 16.944 1.00 49.49 O ATOM 94 CB LYS A 6 25.485 37.786 15.157 1.00 49.82 C ATOM 95 CG LYS A 6 25.308 39.195 15.708 1.00 49.82 C ATOM 96 CD LYS A 6 23.925 39.383 16.315 1.00 49.82 C ATOM 97 CE LYS A 6 23.749 40.790 16.868 1.00 50.21 C ATOM 98 NZ LYS A 6 22.393 40.994 17.448 1.00 49.70 N ATOM 0 H LYS A 6 26.359 35.381 14.591 1.00 49.53 H new ATOM 0 HA LYS A 6 27.255 38.133 13.966 1.00 50.07 H new ATOM 0 HB2 LYS A 6 24.830 37.661 14.295 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.158 37.070 15.911 1.00 49.82 H new ATOM 0 HG2 LYS A 6 26.069 39.390 16.464 1.00 49.82 H new ATOM 0 HG3 LYS A 6 25.459 39.921 14.909 1.00 49.82 H new ATOM 0 HD2 LYS A 6 23.164 39.190 15.558 1.00 49.82 H new ATOM 0 HD3 LYS A 6 23.774 38.655 17.112 1.00 49.82 H new ATOM 0 HE2 LYS A 6 24.503 40.976 17.633 1.00 50.21 H new ATOM 0 HE3 LYS A 6 23.916 41.516 16.072 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 22.314 41.964 17.813 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 21.674 40.842 16.712 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 22.242 40.318 18.224 1.00 49.70 H new ATOM 112 N THR A 7 28.808 38.557 15.809 1.00 49.53 N ATOM 113 CA THR A 7 29.748 38.782 16.918 1.00 50.07 C ATOM 114 C THR A 7 29.244 39.935 17.788 1.00 50.51 C ATOM 115 O THR A 7 28.252 40.556 17.401 1.00 49.49 O ATOM 116 CB THR A 7 31.165 39.104 16.410 1.00 50.14 C ATOM 117 OG1 THR A 7 31.142 40.330 15.668 1.00 49.34 O ATOM 118 CG2 THR A 7 31.679 37.985 15.517 1.00 49.73 C ATOM 0 H THR A 7 28.952 39.151 14.992 1.00 49.53 H new ATOM 0 HA THR A 7 29.802 37.863 17.502 1.00 50.07 H new ATOM 0 HB THR A 7 31.829 39.203 17.269 1.00 50.14 H new ATOM 0 HG1 THR A 7 30.986 40.136 14.720 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.682 38.230 15.167 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.709 37.053 16.082 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.015 37.869 14.661 1.00 49.73 H new ATOM 126 N LEU A 8 29.938 40.247 18.861 1.00 49.53 N ATOM 127 CA LEU A 8 29.490 41.322 19.776 1.00 50.07 C ATOM 128 C LEU A 8 29.938 42.678 19.271 1.00 50.51 C ATOM 129 O LEU A 8 29.432 43.711 19.750 1.00 49.49 O ATOM 130 CB LEU A 8 30.027 41.073 21.191 1.00 49.82 C ATOM 131 CG LEU A 8 29.397 39.883 21.927 1.00 49.91 C ATOM 132 CD1 LEU A 8 29.927 39.812 23.353 1.00 49.73 C ATOM 133 CD2 LEU A 8 27.882 40.025 21.922 1.00 49.73 C ATOM 0 H LEU A 8 30.807 39.789 19.136 1.00 49.53 H new ATOM 0 HA LEU A 8 28.401 41.314 19.809 1.00 50.07 H new ATOM 0 HB2 LEU A 8 31.104 40.914 21.131 1.00 49.82 H new ATOM 0 HB3 LEU A 8 29.870 41.973 21.786 1.00 49.82 H new ATOM 0 HG LEU A 8 29.664 38.958 21.417 1.00 49.91 H new ATOM 0 HD11 LEU A 8 29.474 38.964 23.868 1.00 49.73 H new ATOM 0 HD12 LEU A 8 31.010 39.688 23.333 1.00 49.73 H new ATOM 0 HD13 LEU A 8 29.677 40.732 23.880 1.00 49.73 H new ATOM 0 HD21 LEU A 8 27.436 39.179 22.445 1.00 49.73 H new ATOM 0 HD22 LEU A 8 27.602 40.951 22.424 1.00 49.73 H new ATOM 0 HD23 LEU A 8 27.522 40.047 20.893 1.00 49.73 H new ATOM 145 N THR A 9 30.855 42.708 18.285 1.00 49.53 N ATOM 146 CA THR A 9 31.267 44.075 17.818 1.00 50.07 C ATOM 147 C THR A 9 30.504 44.550 16.619 1.00 50.51 C ATOM 148 O THR A 9 30.541 45.738 16.247 1.00 49.49 O ATOM 149 CB THR A 9 32.771 44.123 17.494 1.00 50.14 C ATOM 150 OG1 THR A 9 33.050 43.271 16.375 1.00 49.34 O ATOM 151 CG2 THR A 9 33.589 43.664 18.692 1.00 49.73 C ATOM 0 H THR A 9 31.293 41.907 17.829 1.00 49.53 H new ATOM 0 HA THR A 9 31.037 44.742 18.649 1.00 50.07 H new ATOM 0 HB THR A 9 33.042 45.151 17.253 1.00 50.14 H new ATOM 0 HG1 THR A 9 34.008 43.304 16.169 1.00 49.34 H new ATOM 0 HG21 THR A 9 34.650 43.704 18.445 1.00 49.73 H new ATOM 0 HG22 THR A 9 33.389 44.318 19.541 1.00 49.73 H new ATOM 0 HG23 THR A 9 33.315 42.641 18.949 1.00 49.73 H new ATOM 159 N GLY A 10 29.862 43.668 15.917 1.00 49.53 N ATOM 160 CA GLY A 10 29.082 43.986 14.742 1.00 49.98 C ATOM 161 C GLY A 10 29.424 43.324 13.440 1.00 50.51 C ATOM 162 O GLY A 10 28.573 43.246 12.526 1.00 49.49 O ATOM 0 H GLY A 10 29.861 42.674 16.146 1.00 49.53 H new ATOM 0 HA2 GLY A 10 28.041 43.754 14.966 1.00 49.98 H new ATOM 0 HA3 GLY A 10 29.142 45.064 14.589 1.00 49.98 H new ATOM 166 N LYS A 11 30.648 42.875 13.321 1.00 49.53 N ATOM 167 CA LYS A 11 31.095 42.119 12.160 1.00 50.07 C ATOM 168 C LYS A 11 30.390 40.771 11.882 1.00 50.51 C ATOM 169 O LYS A 11 30.693 39.827 12.605 1.00 49.49 O ATOM 170 CB LYS A 11 32.603 41.880 12.255 1.00 49.82 C ATOM 171 CG LYS A 11 33.448 43.138 12.117 1.00 49.82 C ATOM 172 CD LYS A 11 34.933 42.819 12.204 1.00 49.82 C ATOM 173 CE LYS A 11 35.780 44.075 12.062 1.00 50.21 C ATOM 174 NZ LYS A 11 37.235 43.777 12.140 1.00 49.70 N ATOM 0 H LYS A 11 31.372 43.020 14.025 1.00 49.53 H new ATOM 0 HA LYS A 11 30.818 42.751 11.316 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.825 41.411 13.214 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.896 41.173 11.479 1.00 49.82 H new ATOM 0 HG2 LYS A 11 33.233 43.620 11.164 1.00 49.82 H new ATOM 0 HG3 LYS A 11 33.180 43.847 12.900 1.00 49.82 H new ATOM 0 HD2 LYS A 11 35.148 42.339 13.159 1.00 49.82 H new ATOM 0 HD3 LYS A 11 35.200 42.108 11.422 1.00 49.82 H new ATOM 0 HE2 LYS A 11 35.559 44.556 11.109 1.00 50.21 H new ATOM 0 HE3 LYS A 11 35.512 44.783 12.846 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 37.776 44.659 12.039 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 37.451 43.342 13.059 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 37.496 43.121 11.376 1.00 49.70 H new ATOM 188 N THR A 12 29.559 40.742 10.857 1.00 49.53 N ATOM 189 CA THR A 12 28.938 39.448 10.513 1.00 50.07 C ATOM 190 C THR A 12 29.939 38.657 9.672 1.00 50.51 C ATOM 191 O THR A 12 30.397 39.231 8.683 1.00 49.49 O ATOM 192 CB THR A 12 27.627 39.628 9.725 1.00 50.14 C ATOM 193 OG1 THR A 12 26.735 40.473 10.464 1.00 49.34 O ATOM 194 CG2 THR A 12 26.961 38.282 9.484 1.00 49.73 C ATOM 0 H THR A 12 29.301 41.537 10.272 1.00 49.53 H new ATOM 0 HA THR A 12 28.689 38.920 11.433 1.00 50.07 H new ATOM 0 HB THR A 12 27.858 40.085 8.763 1.00 50.14 H new ATOM 0 HG1 THR A 12 25.902 40.588 9.961 1.00 49.34 H new ATOM 0 HG21 THR A 12 26.036 38.428 8.926 1.00 49.73 H new ATOM 0 HG22 THR A 12 27.632 37.641 8.912 1.00 49.73 H new ATOM 0 HG23 THR A 12 26.737 37.811 10.441 1.00 49.73 H new ATOM 202 N ILE A 13 30.193 37.414 10.081 1.00 49.53 N ATOM 203 CA ILE A 13 31.168 36.656 9.242 1.00 50.07 C ATOM 204 C ILE A 13 30.537 35.661 8.308 1.00 50.51 C ATOM 205 O ILE A 13 29.470 35.100 8.628 1.00 49.49 O ATOM 206 CB ILE A 13 32.197 35.920 10.121 1.00 49.91 C ATOM 207 CG1 ILE A 13 33.141 36.921 10.790 1.00 49.82 C ATOM 208 CG2 ILE A 13 32.981 34.915 9.292 1.00 49.73 C ATOM 209 CD1 ILE A 13 34.023 36.312 11.856 1.00 49.73 C ATOM 0 H ILE A 13 29.798 36.937 10.891 1.00 49.53 H new ATOM 0 HA ILE A 13 31.654 37.414 8.628 1.00 50.07 H new ATOM 0 HB ILE A 13 31.663 35.378 10.901 1.00 49.91 H new ATOM 0 HG12 ILE A 13 33.772 37.377 10.027 1.00 49.82 H new ATOM 0 HG13 ILE A 13 32.550 37.722 11.235 1.00 49.82 H new ATOM 0 HG21 ILE A 13 33.704 34.404 9.928 1.00 49.73 H new ATOM 0 HG22 ILE A 13 32.296 34.185 8.862 1.00 49.73 H new ATOM 0 HG23 ILE A 13 33.507 35.435 8.491 1.00 49.73 H new ATOM 0 HD11 ILE A 13 34.663 37.084 12.283 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.401 35.881 12.641 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.642 35.531 11.414 1.00 49.73 H new ATOM 221 N THR A 14 31.097 35.477 7.134 1.00 49.53 N ATOM 222 CA THR A 14 30.484 34.454 6.237 1.00 50.07 C ATOM 223 C THR A 14 31.392 33.275 6.004 1.00 50.51 C ATOM 224 O THR A 14 32.527 33.441 5.486 1.00 49.49 O ATOM 225 CB THR A 14 30.100 35.062 4.875 1.00 50.14 C ATOM 226 OG1 THR A 14 29.253 36.200 5.079 1.00 49.34 O ATOM 227 CG2 THR A 14 29.369 34.038 4.020 1.00 49.73 C ATOM 0 H THR A 14 31.915 35.968 6.773 1.00 49.53 H new ATOM 0 HA THR A 14 29.588 34.105 6.750 1.00 50.07 H new ATOM 0 HB THR A 14 31.011 35.366 4.360 1.00 50.14 H new ATOM 0 HG1 THR A 14 28.322 35.904 5.162 1.00 49.34 H new ATOM 0 HG21 THR A 14 29.106 34.486 3.062 1.00 49.73 H new ATOM 0 HG22 THR A 14 30.015 33.176 3.853 1.00 49.73 H new ATOM 0 HG23 THR A 14 28.462 33.717 4.532 1.00 49.73 H new ATOM 235 N LEU A 15 30.944 32.065 6.301 1.00 49.53 N ATOM 236 CA LEU A 15 31.751 30.876 6.126 1.00 50.07 C ATOM 237 C LEU A 15 31.333 29.778 5.142 1.00 50.51 C ATOM 238 O LEU A 15 30.148 29.477 5.161 1.00 49.49 O ATOM 239 CB LEU A 15 31.975 30.232 7.500 1.00 49.82 C ATOM 240 CG LEU A 15 32.829 31.055 8.475 1.00 49.91 C ATOM 241 CD1 LEU A 15 32.708 30.485 9.882 1.00 49.73 C ATOM 242 CD2 LEU A 15 34.278 31.048 8.013 1.00 49.73 C ATOM 0 H LEU A 15 30.010 31.884 6.670 1.00 49.53 H new ATOM 0 HA LEU A 15 32.638 31.284 5.641 1.00 50.07 H new ATOM 0 HB2 LEU A 15 31.004 30.047 7.959 1.00 49.82 H new ATOM 0 HB3 LEU A 15 32.450 29.262 7.356 1.00 49.82 H new ATOM 0 HG LEU A 15 32.472 32.085 8.492 1.00 49.91 H new ATOM 0 HD11 LEU A 15 33.317 31.075 10.567 1.00 49.73 H new ATOM 0 HD12 LEU A 15 31.666 30.520 10.200 1.00 49.73 H new ATOM 0 HD13 LEU A 15 33.054 29.451 9.887 1.00 49.73 H new ATOM 0 HD21 LEU A 15 34.884 31.632 8.706 1.00 49.73 H new ATOM 0 HD22 LEU A 15 34.646 30.022 7.985 1.00 49.73 H new ATOM 0 HD23 LEU A 15 34.344 31.484 7.016 1.00 49.73 H new ATOM 254 N GLU A 16 32.321 29.161 4.539 1.00 49.53 N ATOM 255 CA GLU A 16 31.971 27.988 3.672 1.00 50.07 C ATOM 256 C GLU A 16 32.299 26.662 4.324 1.00 50.51 C ATOM 257 O GLU A 16 33.463 26.419 4.632 1.00 49.49 O ATOM 258 CB GLU A 16 32.685 28.095 2.323 1.00 49.82 C ATOM 259 CG GLU A 16 32.247 29.277 1.471 1.00 49.72 C ATOM 260 CD GLU A 16 32.789 29.172 0.072 1.00 50.62 C ATOM 261 OE1 GLU A 16 32.536 28.183 -0.571 1.00 49.24 O ATOM 262 OE2 GLU A 16 33.361 30.130 -0.394 1.00 49.24 O ATOM 0 H GLU A 16 33.310 29.402 4.602 1.00 49.53 H new ATOM 0 HA GLU A 16 30.892 28.016 3.522 1.00 50.07 H new ATOM 0 HB2 GLU A 16 33.758 28.168 2.499 1.00 49.82 H new ATOM 0 HB3 GLU A 16 32.515 27.176 1.762 1.00 49.82 H new ATOM 0 HG2 GLU A 16 31.158 29.322 1.439 1.00 49.72 H new ATOM 0 HG3 GLU A 16 32.591 30.205 1.928 1.00 49.72 H new ATOM 269 N VAL A 17 31.221 25.942 4.592 1.00 49.53 N ATOM 270 CA VAL A 17 31.304 24.648 5.261 1.00 50.07 C ATOM 271 C VAL A 17 30.566 23.470 4.607 1.00 50.51 C ATOM 272 O VAL A 17 29.856 23.622 3.587 1.00 49.49 O ATOM 273 CB VAL A 17 30.817 24.760 6.718 1.00 49.91 C ATOM 274 CG1 VAL A 17 31.725 25.687 7.513 1.00 49.73 C ATOM 275 CG2 VAL A 17 29.381 25.259 6.763 1.00 49.73 C ATOM 0 H VAL A 17 30.272 26.232 4.356 1.00 49.53 H new ATOM 0 HA VAL A 17 32.365 24.408 5.184 1.00 50.07 H new ATOM 0 HB VAL A 17 30.853 23.769 7.170 1.00 49.91 H new ATOM 0 HG11 VAL A 17 31.366 25.755 8.540 1.00 49.73 H new ATOM 0 HG12 VAL A 17 32.741 25.293 7.509 1.00 49.73 H new ATOM 0 HG13 VAL A 17 31.719 26.679 7.060 1.00 49.73 H new ATOM 0 HG21 VAL A 17 29.054 25.332 7.800 1.00 49.73 H new ATOM 0 HG22 VAL A 17 29.322 26.241 6.294 1.00 49.73 H new ATOM 0 HG23 VAL A 17 28.737 24.562 6.227 1.00 49.73 H new ATOM 285 N GLU A 18 30.980 22.309 5.063 1.00 49.53 N ATOM 286 CA GLU A 18 30.372 21.029 4.696 1.00 50.07 C ATOM 287 C GLU A 18 29.381 20.414 5.672 1.00 50.51 C ATOM 288 O GLU A 18 29.450 20.632 6.870 1.00 49.49 O ATOM 289 CB GLU A 18 31.472 20.010 4.399 1.00 49.82 C ATOM 290 CG GLU A 18 32.370 20.376 3.225 1.00 49.72 C ATOM 291 CD GLU A 18 33.242 19.219 2.823 1.00 50.62 C ATOM 292 OE1 GLU A 18 32.712 18.180 2.508 1.00 49.24 O ATOM 293 OE2 GLU A 18 34.432 19.405 2.724 1.00 49.24 O ATOM 0 H GLU A 18 31.762 22.216 5.711 1.00 49.53 H new ATOM 0 HA GLU A 18 29.768 21.275 3.823 1.00 50.07 H new ATOM 0 HB2 GLU A 18 32.089 19.891 5.289 1.00 49.82 H new ATOM 0 HB3 GLU A 18 31.010 19.043 4.199 1.00 49.82 H new ATOM 0 HG2 GLU A 18 31.757 20.684 2.378 1.00 49.72 H new ATOM 0 HG3 GLU A 18 32.994 21.228 3.494 1.00 49.72 H new ATOM 300 N PRO A 19 28.436 19.647 5.160 1.00 49.71 N ATOM 301 CA PRO A 19 27.448 18.953 5.989 1.00 50.02 C ATOM 302 C PRO A 19 28.101 18.091 7.041 1.00 50.51 C ATOM 303 O PRO A 19 27.497 17.752 8.069 1.00 49.49 O ATOM 304 CB PRO A 19 26.661 18.094 4.976 1.00 49.82 C ATOM 305 CG PRO A 19 26.765 18.889 3.716 1.00 49.82 C ATOM 306 CD PRO A 19 28.241 19.359 3.717 1.00 50.00 C ATOM 0 HA PRO A 19 26.815 19.645 6.545 1.00 50.02 H new ATOM 0 HB2 PRO A 19 27.096 17.101 4.864 1.00 49.82 H new ATOM 0 HB3 PRO A 19 25.624 17.956 5.282 1.00 49.82 H new ATOM 0 HG2 PRO A 19 26.535 18.285 2.838 1.00 49.82 H new ATOM 0 HG3 PRO A 19 26.074 19.732 3.713 1.00 49.82 H new ATOM 0 HD2 PRO A 19 28.921 18.589 3.353 1.00 50.00 H new ATOM 0 HD3 PRO A 19 28.395 20.240 3.094 1.00 50.00 H new ATOM 314 N SER A 20 29.331 17.672 6.795 1.00 49.53 N ATOM 315 CA SER A 20 30.020 16.783 7.745 1.00 50.07 C ATOM 316 C SER A 20 30.891 17.450 8.784 1.00 50.51 C ATOM 317 O SER A 20 31.294 16.763 9.739 1.00 49.49 O ATOM 318 CB SER A 20 30.847 15.773 6.972 1.00 50.05 C ATOM 319 OG SER A 20 30.080 15.076 6.029 1.00 49.34 O ATOM 0 H SER A 20 29.872 17.920 5.967 1.00 49.53 H new ATOM 0 HA SER A 20 29.218 16.317 8.318 1.00 50.07 H new ATOM 0 HB2 SER A 20 31.665 16.286 6.466 1.00 50.05 H new ATOM 0 HB3 SER A 20 31.297 15.065 7.668 1.00 50.05 H new ATOM 0 HG SER A 20 30.650 14.437 5.552 1.00 49.34 H new ATOM 325 N ASP A 21 31.284 18.698 8.527 1.00 49.53 N ATOM 326 CA ASP A 21 32.161 19.360 9.530 1.00 50.07 C ATOM 327 C ASP A 21 31.422 19.350 10.843 1.00 50.51 C ATOM 328 O ASP A 21 30.176 19.325 10.874 1.00 49.49 O ATOM 329 CB ASP A 21 32.501 20.790 9.107 1.00 49.72 C ATOM 330 CG ASP A 21 33.165 20.903 7.742 1.00 50.62 C ATOM 331 OD1 ASP A 21 34.103 20.181 7.498 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.636 21.590 6.901 1.00 49.24 O ATOM 0 H ASP A 21 31.040 19.248 7.703 1.00 49.53 H new ATOM 0 HA ASP A 21 33.108 18.827 9.618 1.00 50.07 H new ATOM 0 HB2 ASP A 21 31.585 21.381 9.102 1.00 49.72 H new ATOM 0 HB3 ASP A 21 33.160 21.230 9.855 1.00 49.72 H new ATOM 337 N THR A 22 32.176 19.328 11.929 1.00 49.53 N ATOM 338 CA THR A 22 31.620 19.409 13.259 1.00 50.07 C ATOM 339 C THR A 22 31.468 20.894 13.664 1.00 50.51 C ATOM 340 O THR A 22 32.020 21.770 12.994 1.00 49.49 O ATOM 341 CB THR A 22 32.502 18.684 14.292 1.00 50.14 C ATOM 342 OG1 THR A 22 33.729 19.405 14.467 1.00 49.34 O ATOM 343 CG2 THR A 22 32.813 17.269 13.830 1.00 49.73 C ATOM 0 H THR A 22 33.193 19.253 11.908 1.00 49.53 H new ATOM 0 HA THR A 22 30.647 18.919 13.246 1.00 50.07 H new ATOM 0 HB THR A 22 31.962 18.636 15.237 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.463 18.772 14.610 1.00 49.34 H new ATOM 0 HG21 THR A 22 33.437 16.773 14.573 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.883 16.714 13.708 1.00 49.73 H new ATOM 0 HG23 THR A 22 33.342 17.305 12.878 1.00 49.73 H new ATOM 351 N ILE A 23 30.727 21.064 14.760 1.00 49.53 N ATOM 352 CA ILE A 23 30.549 22.390 15.346 1.00 50.07 C ATOM 353 C ILE A 23 31.968 22.815 15.730 1.00 50.51 C ATOM 354 O ILE A 23 32.343 23.999 15.672 1.00 49.49 O ATOM 355 CB ILE A 23 29.642 22.371 16.590 1.00 49.91 C ATOM 356 CG1 ILE A 23 30.205 21.419 17.648 1.00 49.82 C ATOM 357 CG2 ILE A 23 28.226 21.969 16.208 1.00 49.73 C ATOM 358 CD1 ILE A 23 29.356 21.318 18.894 1.00 49.73 C ATOM 0 H ILE A 23 30.247 20.311 15.253 1.00 49.53 H new ATOM 0 HA ILE A 23 30.061 23.071 14.649 1.00 50.07 H new ATOM 0 HB ILE A 23 29.612 23.375 17.013 1.00 49.91 H new ATOM 0 HG12 ILE A 23 30.310 20.426 17.210 1.00 49.82 H new ATOM 0 HG13 ILE A 23 31.205 21.752 17.927 1.00 49.82 H new ATOM 0 HG21 ILE A 23 27.597 21.960 17.098 1.00 49.73 H new ATOM 0 HG22 ILE A 23 27.826 22.684 15.489 1.00 49.73 H new ATOM 0 HG23 ILE A 23 28.238 20.974 15.763 1.00 49.73 H new ATOM 0 HD11 ILE A 23 29.821 20.625 19.596 1.00 49.73 H new ATOM 0 HD12 ILE A 23 29.271 22.301 19.357 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.363 20.955 18.629 1.00 49.73 H new ATOM 370 N GLU A 24 32.770 21.862 16.145 1.00 49.53 N ATOM 371 CA GLU A 24 34.201 22.169 16.480 1.00 50.07 C ATOM 372 C GLU A 24 34.974 22.804 15.351 1.00 50.51 C ATOM 373 O GLU A 24 35.687 23.819 15.541 1.00 49.49 O ATOM 374 CB GLU A 24 34.916 20.896 16.940 1.00 49.82 C ATOM 375 CG GLU A 24 34.284 20.221 18.148 1.00 49.72 C ATOM 376 CD GLU A 24 35.205 19.194 18.744 1.00 50.62 C ATOM 377 OE1 GLU A 24 35.688 18.362 18.014 1.00 49.24 O ATOM 378 OE2 GLU A 24 35.516 19.307 19.907 1.00 49.24 O ATOM 0 H GLU A 24 32.498 20.887 16.266 1.00 49.53 H new ATOM 0 HA GLU A 24 34.169 22.905 17.283 1.00 50.07 H new ATOM 0 HB2 GLU A 24 34.937 20.187 16.113 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.951 21.141 17.176 1.00 49.82 H new ATOM 0 HG2 GLU A 24 34.038 20.971 18.899 1.00 49.72 H new ATOM 0 HG3 GLU A 24 33.348 19.746 17.854 1.00 49.72 H new ATOM 385 N ASN A 25 34.893 22.211 14.171 1.00 49.53 N ATOM 386 CA ASN A 25 35.581 22.679 12.960 1.00 50.07 C ATOM 387 C ASN A 25 35.232 24.128 12.629 1.00 50.51 C ATOM 388 O ASN A 25 36.061 24.876 12.072 1.00 49.49 O ATOM 389 CB ASN A 25 35.278 21.784 11.773 1.00 49.82 C ATOM 390 CG ASN A 25 35.825 20.391 11.909 1.00 50.55 C ATOM 391 OD1 ASN A 25 35.136 19.402 11.630 1.00 49.45 O ATOM 392 ND2 ASN A 25 37.030 20.303 12.411 1.00 49.38 N ATOM 0 H ASN A 25 34.336 21.371 14.016 1.00 49.53 H new ATOM 0 HA ASN A 25 36.650 22.631 13.169 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.198 21.729 11.638 1.00 49.82 H new ATOM 0 HB3 ASN A 25 35.689 22.239 10.872 1.00 49.82 H new ATOM 0 HD21 ASN A 25 37.442 19.387 12.590 1.00 49.38 H new ATOM 0 HD22 ASN A 25 37.557 21.150 12.624 1.00 49.38 H new ATOM 399 N VAL A 26 34.001 24.481 12.974 1.00 49.53 N ATOM 400 CA VAL A 26 33.528 25.843 12.751 1.00 50.07 C ATOM 401 C VAL A 26 34.467 26.865 13.383 1.00 50.51 C ATOM 402 O VAL A 26 34.822 27.876 12.768 1.00 49.49 O ATOM 403 CB VAL A 26 32.109 26.047 13.313 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.668 27.492 13.134 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.127 25.104 12.635 1.00 49.73 C ATOM 0 H VAL A 26 33.320 23.855 13.403 1.00 49.53 H new ATOM 0 HA VAL A 26 33.507 25.995 11.672 1.00 50.07 H new ATOM 0 HB VAL A 26 32.125 25.820 14.379 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.663 27.618 13.537 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.356 28.151 13.663 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.668 27.744 12.073 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.129 25.262 13.044 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.115 25.301 11.563 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.432 24.073 12.811 1.00 49.73 H new ATOM 415 N LYS A 27 34.926 26.559 14.591 1.00 49.53 N ATOM 416 CA LYS A 27 35.834 27.468 15.305 1.00 50.07 C ATOM 417 C LYS A 27 37.285 27.468 14.851 1.00 50.51 C ATOM 418 O LYS A 27 37.913 28.555 14.822 1.00 49.49 O ATOM 419 CB LYS A 27 35.780 27.175 16.805 1.00 49.82 C ATOM 420 CG LYS A 27 34.409 27.380 17.436 1.00 49.82 C ATOM 421 CD LYS A 27 34.435 27.071 18.927 1.00 49.82 C ATOM 422 CE LYS A 27 33.061 27.255 19.554 1.00 50.21 C ATOM 423 NZ LYS A 27 33.065 26.932 21.007 1.00 49.70 N ATOM 0 H LYS A 27 34.693 25.704 15.096 1.00 49.53 H new ATOM 0 HA LYS A 27 35.463 28.464 15.063 1.00 50.07 H new ATOM 0 HB2 LYS A 27 36.094 26.145 16.973 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.501 27.815 17.314 1.00 49.82 H new ATOM 0 HG2 LYS A 27 34.085 28.409 17.281 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.679 26.739 16.942 1.00 49.82 H new ATOM 0 HD2 LYS A 27 34.774 26.047 19.082 1.00 49.82 H new ATOM 0 HD3 LYS A 27 35.154 27.723 19.423 1.00 49.82 H new ATOM 0 HE2 LYS A 27 32.732 28.285 19.412 1.00 50.21 H new ATOM 0 HE3 LYS A 27 32.340 26.617 19.042 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 32.093 26.738 21.322 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 33.657 26.094 21.175 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 33.448 27.738 21.541 1.00 49.70 H new ATOM 437 N ALA A 28 37.838 26.312 14.550 1.00 49.53 N ATOM 438 CA ALA A 28 39.211 26.211 14.038 1.00 50.07 C ATOM 439 C ALA A 28 39.356 26.900 12.693 1.00 50.51 C ATOM 440 O ALA A 28 40.419 27.550 12.409 1.00 49.49 O ATOM 441 CB ALA A 28 39.636 24.734 13.934 1.00 49.73 C ATOM 0 H ALA A 28 37.362 25.415 14.648 1.00 49.53 H new ATOM 0 HA ALA A 28 39.868 26.720 14.743 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.656 24.675 13.553 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.589 24.272 14.920 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.964 24.209 13.255 1.00 49.73 H new ATOM 447 N LYS A 29 38.354 26.843 11.827 1.00 49.53 N ATOM 448 CA LYS A 29 38.398 27.565 10.540 1.00 50.07 C ATOM 449 C LYS A 29 38.669 29.033 10.922 1.00 50.51 C ATOM 450 O LYS A 29 39.672 29.670 10.519 1.00 49.49 O ATOM 451 CB LYS A 29 37.081 27.426 9.775 1.00 49.82 C ATOM 452 CG LYS A 29 36.758 26.004 9.334 1.00 49.82 C ATOM 453 CD LYS A 29 37.488 25.645 8.047 1.00 49.82 C ATOM 454 CE LYS A 29 37.144 24.235 7.590 1.00 50.21 C ATOM 455 NZ LYS A 29 37.864 23.863 6.342 1.00 49.70 N ATOM 0 H LYS A 29 37.499 26.309 11.981 1.00 49.53 H new ATOM 0 HA LYS A 29 39.165 27.165 9.876 1.00 50.07 H new ATOM 0 HB2 LYS A 29 36.269 27.792 10.404 1.00 49.82 H new ATOM 0 HB3 LYS A 29 37.117 28.068 8.895 1.00 49.82 H new ATOM 0 HG2 LYS A 29 37.039 25.304 10.121 1.00 49.82 H new ATOM 0 HG3 LYS A 29 35.683 25.902 9.185 1.00 49.82 H new ATOM 0 HD2 LYS A 29 37.223 26.357 7.266 1.00 49.82 H new ATOM 0 HD3 LYS A 29 38.564 25.727 8.202 1.00 49.82 H new ATOM 0 HE2 LYS A 29 37.396 23.526 8.379 1.00 50.21 H new ATOM 0 HE3 LYS A 29 36.069 24.159 7.425 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 37.602 22.895 6.065 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 37.604 24.523 5.582 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 38.890 23.910 6.506 1.00 49.70 H new ATOM 469 N ILE A 30 37.798 29.574 11.776 1.00 49.53 N ATOM 470 CA ILE A 30 37.975 30.974 12.203 1.00 50.07 C ATOM 471 C ILE A 30 39.362 31.250 12.797 1.00 50.51 C ATOM 472 O ILE A 30 39.889 32.376 12.643 1.00 49.49 O ATOM 473 CB ILE A 30 36.905 31.381 13.233 1.00 49.91 C ATOM 474 CG1 ILE A 30 35.541 31.531 12.556 1.00 49.82 C ATOM 475 CG2 ILE A 30 37.302 32.674 13.929 1.00 49.73 C ATOM 476 CD1 ILE A 30 34.411 31.822 13.516 1.00 49.73 C ATOM 0 H ILE A 30 36.992 29.092 12.175 1.00 49.53 H new ATOM 0 HA ILE A 30 37.869 31.571 11.297 1.00 50.07 H new ATOM 0 HB ILE A 30 36.831 30.595 13.985 1.00 49.91 H new ATOM 0 HG12 ILE A 30 35.597 32.334 11.822 1.00 49.82 H new ATOM 0 HG13 ILE A 30 35.314 30.615 12.010 1.00 49.82 H new ATOM 0 HG21 ILE A 30 36.535 32.947 14.654 1.00 49.73 H new ATOM 0 HG22 ILE A 30 38.253 32.534 14.443 1.00 49.73 H new ATOM 0 HG23 ILE A 30 37.403 33.469 13.190 1.00 49.73 H new ATOM 0 HD11 ILE A 30 33.477 31.915 12.961 1.00 49.73 H new ATOM 0 HD12 ILE A 30 34.326 31.008 14.236 1.00 49.73 H new ATOM 0 HD13 ILE A 30 34.613 32.754 14.044 1.00 49.73 H new ATOM 488 N GLN A 31 39.930 30.315 13.516 1.00 49.53 N ATOM 489 CA GLN A 31 41.290 30.581 14.083 1.00 50.07 C ATOM 490 C GLN A 31 42.293 31.099 13.040 1.00 50.51 C ATOM 491 O GLN A 31 43.247 31.879 13.269 1.00 49.49 O ATOM 492 CB GLN A 31 41.847 29.312 14.735 1.00 49.82 C ATOM 493 CG GLN A 31 43.140 29.524 15.505 1.00 49.82 C ATOM 494 CD GLN A 31 43.799 28.216 15.898 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.152 27.104 15.569 1.00 49.45 O flip ATOM 496 NE2 GLN A 31 44.883 28.204 16.490 1.00 49.38 N flip ATOM 0 H GLN A 31 39.527 29.403 13.732 1.00 49.53 H new ATOM 0 HA GLN A 31 41.163 31.368 14.826 1.00 50.07 H new ATOM 0 HB2 GLN A 31 41.096 28.905 15.413 1.00 49.82 H new ATOM 0 HB3 GLN A 31 42.017 28.564 13.961 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.831 30.107 14.896 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.934 30.108 16.402 1.00 49.82 H new ATOM 0 HE21 GLN A 31 45.346 29.082 16.724 1.00 49.38 H new ATOM 0 HE22 GLN A 31 45.315 27.316 16.745 1.00 49.38 H new ATOM 505 N ASP A 32 42.097 30.614 11.837 1.00 49.53 N ATOM 506 CA ASP A 32 42.966 31.026 10.710 1.00 50.07 C ATOM 507 C ASP A 32 42.591 32.375 10.132 1.00 50.51 C ATOM 508 O ASP A 32 43.435 33.246 9.820 1.00 49.49 O ATOM 509 CB ASP A 32 42.939 29.967 9.606 1.00 49.72 C ATOM 510 CG ASP A 32 43.714 30.345 8.351 1.00 50.62 C ATOM 511 OD1 ASP A 32 44.834 30.779 8.477 1.00 49.24 O ATOM 512 OD2 ASP A 32 43.245 30.054 7.277 1.00 49.24 O ATOM 0 H ASP A 32 41.365 29.946 11.595 1.00 49.53 H new ATOM 0 HA ASP A 32 43.974 31.120 11.115 1.00 50.07 H new ATOM 0 HB2 ASP A 32 43.345 29.036 10.002 1.00 49.72 H new ATOM 0 HB3 ASP A 32 41.902 29.771 9.333 1.00 49.72 H new ATOM 517 N LYS A 33 41.284 32.614 9.920 1.00 49.53 N ATOM 518 CA LYS A 33 40.944 33.904 9.260 1.00 50.07 C ATOM 519 C LYS A 33 40.756 35.084 10.146 1.00 50.51 C ATOM 520 O LYS A 33 41.186 36.207 9.710 1.00 49.49 O ATOM 521 CB LYS A 33 39.694 33.724 8.398 1.00 49.82 C ATOM 522 CG LYS A 33 39.926 32.950 7.108 1.00 49.82 C ATOM 523 CD LYS A 33 38.729 33.058 6.174 1.00 49.82 C ATOM 524 CE LYS A 33 37.538 32.276 6.705 1.00 50.21 C ATOM 525 NZ LYS A 33 37.754 30.806 6.617 1.00 49.70 N ATOM 0 H LYS A 33 40.506 32.002 10.165 1.00 49.53 H new ATOM 0 HA LYS A 33 41.830 34.141 8.671 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.934 33.209 8.985 1.00 49.82 H new ATOM 0 HB3 LYS A 33 39.293 34.707 8.151 1.00 49.82 H new ATOM 0 HG2 LYS A 33 40.816 33.332 6.608 1.00 49.82 H new ATOM 0 HG3 LYS A 33 40.116 31.902 7.340 1.00 49.82 H new ATOM 0 HD2 LYS A 33 38.453 34.106 6.053 1.00 49.82 H new ATOM 0 HD3 LYS A 33 39.001 32.684 5.187 1.00 49.82 H new ATOM 0 HE2 LYS A 33 37.355 32.554 7.743 1.00 50.21 H new ATOM 0 HE3 LYS A 33 36.646 32.546 6.140 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 36.853 30.312 6.777 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 38.118 30.565 5.673 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 38.442 30.512 7.339 1.00 49.70 H new ATOM 539 N GLU A 34 40.325 34.991 11.372 1.00 49.53 N ATOM 540 CA GLU A 34 40.126 36.104 12.274 1.00 50.07 C ATOM 541 C GLU A 34 41.075 35.983 13.440 1.00 50.51 C ATOM 542 O GLU A 34 41.414 36.997 14.058 1.00 49.49 O ATOM 543 CB GLU A 34 38.679 36.151 12.767 1.00 49.82 C ATOM 544 CG GLU A 34 37.671 36.592 11.714 1.00 49.72 C ATOM 545 CD GLU A 34 38.133 37.831 11.001 1.00 50.62 C ATOM 546 OE1 GLU A 34 38.554 38.752 11.660 1.00 49.24 O ATOM 547 OE2 GLU A 34 38.171 37.818 9.793 1.00 49.24 O ATOM 0 H GLU A 34 40.089 34.094 11.797 1.00 49.53 H new ATOM 0 HA GLU A 34 40.329 37.032 11.739 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.399 35.162 13.129 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.619 36.831 13.617 1.00 49.82 H new ATOM 0 HG2 GLU A 34 37.521 35.789 10.992 1.00 49.72 H new ATOM 0 HG3 GLU A 34 36.707 36.780 12.187 1.00 49.72 H new ATOM 554 N GLY A 35 41.544 34.780 13.728 1.00 49.53 N ATOM 555 CA GLY A 35 42.510 34.548 14.769 1.00 49.98 C ATOM 556 C GLY A 35 41.974 34.174 16.093 1.00 50.51 C ATOM 557 O GLY A 35 42.573 33.319 16.798 1.00 49.49 O ATOM 0 H GLY A 35 41.257 33.934 13.236 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.185 33.758 14.439 1.00 49.98 H new ATOM 0 HA3 GLY A 35 43.109 35.451 14.886 1.00 49.98 H new ATOM 561 N ILE A 36 40.805 34.718 16.476 1.00 49.53 N ATOM 562 CA ILE A 36 40.250 34.354 17.789 1.00 50.07 C ATOM 563 C ILE A 36 40.384 32.887 18.160 1.00 50.51 C ATOM 564 O ILE A 36 39.753 32.013 17.539 1.00 49.49 O ATOM 565 CB ILE A 36 38.763 34.745 17.883 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.601 36.262 17.763 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.163 34.244 19.188 1.00 49.73 C ATOM 568 CD1 ILE A 36 37.195 36.701 17.423 1.00 49.73 C ATOM 0 H ILE A 36 40.252 35.377 15.928 1.00 49.53 H new ATOM 0 HA ILE A 36 40.855 34.916 18.500 1.00 50.07 H new ATOM 0 HB ILE A 36 38.228 34.276 17.057 1.00 49.91 H new ATOM 0 HG12 ILE A 36 38.899 36.725 18.704 1.00 49.82 H new ATOM 0 HG13 ILE A 36 39.282 36.631 16.996 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.112 34.529 19.238 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.247 33.158 19.234 1.00 49.73 H new ATOM 0 HG23 ILE A 36 38.699 34.686 20.028 1.00 49.73 H new ATOM 0 HD11 ILE A 36 37.160 37.788 17.355 1.00 49.73 H new ATOM 0 HD12 ILE A 36 36.900 36.268 16.467 1.00 49.73 H new ATOM 0 HD13 ILE A 36 36.510 36.364 18.201 1.00 49.73 H new ATOM 580 N PRO A 37 41.178 32.595 19.183 1.00 49.71 N ATOM 581 CA PRO A 37 41.379 31.223 19.682 1.00 50.02 C ATOM 582 C PRO A 37 40.057 30.591 20.074 1.00 50.51 C ATOM 583 O PRO A 37 39.251 31.273 20.761 1.00 49.49 O ATOM 584 CB PRO A 37 42.232 31.504 20.956 1.00 49.82 C ATOM 585 CG PRO A 37 43.017 32.729 20.587 1.00 49.82 C ATOM 586 CD PRO A 37 41.952 33.613 19.953 1.00 50.00 C ATOM 0 HA PRO A 37 41.830 30.543 18.960 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.604 31.678 21.830 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.886 30.665 21.195 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.471 33.200 21.459 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.824 32.501 19.891 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.340 34.124 20.697 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.380 34.382 19.310 1.00 50.00 H new ATOM 594 N PRO A 38 39.823 29.348 19.731 1.00 49.71 N ATOM 595 CA PRO A 38 38.548 28.701 20.078 1.00 50.02 C ATOM 596 C PRO A 38 38.257 28.705 21.554 1.00 50.51 C ATOM 597 O PRO A 38 37.080 28.775 22.003 1.00 49.49 O ATOM 598 CB PRO A 38 38.667 27.315 19.451 1.00 49.82 C ATOM 599 CG PRO A 38 39.597 27.553 18.265 1.00 49.82 C ATOM 600 CD PRO A 38 40.674 28.453 18.908 1.00 50.00 C ATOM 0 HA PRO A 38 37.682 29.238 19.692 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.083 26.590 20.151 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.698 26.931 19.133 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.015 26.624 17.876 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.089 28.046 17.436 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.383 27.885 19.511 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.254 29.000 18.165 1.00 50.00 H new ATOM 608 N ASP A 39 39.270 28.636 22.383 1.00 49.53 N ATOM 609 CA ASP A 39 39.059 28.578 23.855 1.00 50.07 C ATOM 610 C ASP A 39 38.349 29.820 24.380 1.00 50.51 C ATOM 611 O ASP A 39 37.782 29.855 25.507 1.00 49.49 O ATOM 612 CB ASP A 39 40.396 28.397 24.579 1.00 49.72 C ATOM 613 CG ASP A 39 41.099 27.081 24.280 1.00 50.62 C ATOM 614 OD1 ASP A 39 40.474 26.208 23.725 1.00 49.24 O ATOM 615 OD2 ASP A 39 42.291 27.011 24.464 1.00 49.24 O ATOM 0 H ASP A 39 40.248 28.617 22.093 1.00 49.53 H new ATOM 0 HA ASP A 39 38.418 27.719 24.055 1.00 50.07 H new ATOM 0 HB2 ASP A 39 41.058 29.219 24.305 1.00 49.72 H new ATOM 0 HB3 ASP A 39 40.226 28.468 25.653 1.00 49.72 H new ATOM 620 N GLN A 40 38.263 30.848 23.553 1.00 49.53 N ATOM 621 CA GLN A 40 37.560 32.080 23.983 1.00 50.07 C ATOM 622 C GLN A 40 36.160 32.190 23.351 1.00 50.51 C ATOM 623 O GLN A 40 35.326 32.915 23.881 1.00 49.49 O ATOM 624 CB GLN A 40 38.385 33.319 23.622 1.00 49.82 C ATOM 625 CG GLN A 40 39.700 33.431 24.375 1.00 49.82 C ATOM 626 CD GLN A 40 40.338 34.799 24.224 1.00 50.55 C ATOM 627 OE1 GLN A 40 39.871 35.785 24.802 1.00 49.45 O ATOM 628 NE2 GLN A 40 41.409 34.868 23.441 1.00 49.38 N ATOM 0 H GLN A 40 38.651 30.873 22.610 1.00 49.53 H new ATOM 0 HA GLN A 40 37.440 32.023 25.065 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.592 33.305 22.552 1.00 49.82 H new ATOM 0 HB3 GLN A 40 37.789 34.210 23.820 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.529 33.228 25.432 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.390 32.669 24.012 1.00 49.82 H new ATOM 0 HE21 GLN A 40 41.761 34.027 22.983 1.00 49.38 H new ATOM 0 HE22 GLN A 40 41.880 35.762 23.298 1.00 49.38 H new ATOM 637 N GLN A 41 35.864 31.374 22.363 1.00 49.53 N ATOM 638 CA GLN A 41 34.610 31.404 21.651 1.00 50.07 C ATOM 639 C GLN A 41 33.543 30.471 22.183 1.00 50.51 C ATOM 640 O GLN A 41 33.631 29.253 22.184 1.00 49.49 O ATOM 641 CB GLN A 41 34.846 31.097 20.170 1.00 49.82 C ATOM 642 CG GLN A 41 35.604 32.181 19.422 1.00 49.82 C ATOM 643 CD GLN A 41 35.736 31.879 17.942 1.00 50.55 C ATOM 644 OE1 GLN A 41 36.423 32.593 17.207 1.00 49.45 O ATOM 645 NE2 GLN A 41 35.072 30.819 17.493 1.00 49.38 N ATOM 0 H GLN A 41 36.505 30.655 22.026 1.00 49.53 H new ATOM 0 HA GLN A 41 34.226 32.413 21.799 1.00 50.07 H new ATOM 0 HB2 GLN A 41 35.398 30.161 20.088 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.882 30.942 19.685 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.091 33.134 19.551 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.597 32.292 19.857 1.00 49.82 H new ATOM 0 HE21 GLN A 41 34.516 30.256 18.136 1.00 49.38 H new ATOM 0 HE22 GLN A 41 35.119 30.569 16.505 1.00 49.38 H new ATOM 654 N ARG A 42 32.388 31.063 22.482 1.00 49.53 N ATOM 655 CA ARG A 42 31.178 30.264 22.853 1.00 50.07 C ATOM 656 C ARG A 42 30.063 30.579 21.879 1.00 50.51 C ATOM 657 O ARG A 42 29.922 31.820 21.538 1.00 49.49 O ATOM 658 CB ARG A 42 30.751 30.489 24.296 1.00 49.82 C ATOM 659 CG ARG A 42 31.587 29.752 25.332 1.00 49.82 C ATOM 660 CD ARG A 42 31.444 30.273 26.716 1.00 50.20 C ATOM 661 NE ARG A 42 30.125 30.087 27.297 1.00 49.30 N ATOM 662 CZ ARG A 42 29.725 30.616 28.470 1.00 50.64 C ATOM 663 NH1 ARG A 42 30.547 31.330 29.207 1.00 49.20 N ATOM 664 NH2 ARG A 42 28.489 30.377 28.874 1.00 49.20 N ATOM 0 H ARG A 42 32.245 32.073 22.481 1.00 49.53 H new ATOM 0 HA ARG A 42 31.427 29.205 22.785 1.00 50.07 H new ATOM 0 HB2 ARG A 42 30.792 31.557 24.510 1.00 49.82 H new ATOM 0 HB3 ARG A 42 29.711 30.182 24.404 1.00 49.82 H new ATOM 0 HG2 ARG A 42 31.310 28.698 25.323 1.00 49.82 H new ATOM 0 HG3 ARG A 42 32.636 29.808 25.042 1.00 49.82 H new ATOM 0 HD2 ARG A 42 32.180 29.783 27.353 1.00 50.20 H new ATOM 0 HD3 ARG A 42 31.680 31.337 26.716 1.00 50.20 H new ATOM 0 HE ARG A 42 29.455 29.516 26.781 1.00 49.30 H new ATOM 0 HH11 ARG A 42 31.504 31.491 28.893 1.00 49.20 H new ATOM 0 HH12 ARG A 42 30.228 31.723 30.092 1.00 49.20 H new ATOM 0 HH21 ARG A 42 27.867 29.806 28.302 1.00 49.20 H new ATOM 0 HH22 ARG A 42 28.157 30.764 29.758 1.00 49.20 H new ATOM 678 N LEU A 43 29.345 29.584 21.363 1.00 49.53 N ATOM 679 CA LEU A 43 28.280 29.847 20.362 1.00 50.07 C ATOM 680 C LEU A 43 27.037 29.322 21.073 1.00 50.51 C ATOM 681 O LEU A 43 27.031 28.153 21.483 1.00 49.49 O ATOM 682 CB LEU A 43 28.546 29.102 19.047 1.00 49.82 C ATOM 683 CG LEU A 43 29.847 29.487 18.332 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.156 28.479 17.233 1.00 49.73 C ATOM 685 CD2 LEU A 43 29.716 30.889 17.757 1.00 49.73 C ATOM 0 H LEU A 43 29.467 28.601 21.607 1.00 49.53 H new ATOM 0 HA LEU A 43 28.202 30.894 20.067 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.565 28.032 19.252 1.00 49.82 H new ATOM 0 HB3 LEU A 43 27.711 29.282 18.370 1.00 49.82 H new ATOM 0 HG LEU A 43 30.671 29.477 19.045 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.082 28.761 16.731 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.268 27.487 17.670 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.340 28.467 16.510 1.00 49.73 H new ATOM 0 HD21 LEU A 43 30.641 31.162 17.249 1.00 49.73 H new ATOM 0 HD22 LEU A 43 28.890 30.915 17.046 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.523 31.596 18.563 1.00 49.73 H new ATOM 697 N ILE A 44 26.070 30.210 21.279 1.00 49.53 N ATOM 698 CA ILE A 44 24.836 29.889 21.990 1.00 50.07 C ATOM 699 C ILE A 44 23.602 29.986 21.101 1.00 50.51 C ATOM 700 O ILE A 44 23.325 30.992 20.481 1.00 49.49 O ATOM 701 CB ILE A 44 24.641 30.806 23.211 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.797 30.631 24.200 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.310 30.515 23.887 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.944 31.777 25.176 1.00 49.73 C ATOM 0 H ILE A 44 26.120 31.176 20.957 1.00 49.53 H new ATOM 0 HA ILE A 44 24.943 28.854 22.316 1.00 50.07 H new ATOM 0 HB ILE A 44 24.634 31.841 22.870 1.00 49.91 H new ATOM 0 HG12 ILE A 44 25.648 29.707 24.759 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.727 30.520 23.642 1.00 49.82 H new ATOM 0 HG21 ILE A 44 23.188 31.172 24.748 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.498 30.688 23.181 1.00 49.73 H new ATOM 0 HG23 ILE A 44 23.289 29.476 24.217 1.00 49.73 H new ATOM 0 HD11 ILE A 44 26.783 31.581 25.844 1.00 49.73 H new ATOM 0 HD12 ILE A 44 26.125 32.701 24.627 1.00 49.73 H new ATOM 0 HD13 ILE A 44 25.030 31.876 25.761 1.00 49.73 H new ATOM 716 N PHE A 45 22.792 28.895 21.139 1.00 49.53 N ATOM 717 CA PHE A 45 21.532 28.845 20.380 1.00 50.07 C ATOM 718 C PHE A 45 20.306 28.201 21.056 1.00 50.51 C ATOM 719 O PHE A 45 20.340 27.072 21.544 1.00 49.49 O ATOM 720 CB PHE A 45 21.776 28.148 19.041 1.00 49.82 C ATOM 721 CG PHE A 45 20.527 27.934 18.233 1.00 50.00 C ATOM 722 CD1 PHE A 45 19.737 26.813 18.435 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.141 28.854 17.270 1.00 49.88 C ATOM 724 CE1 PHE A 45 18.589 26.614 17.693 1.00 49.88 C ATOM 725 CE2 PHE A 45 18.993 28.657 16.526 1.00 49.88 C ATOM 726 CZ PHE A 45 18.216 27.538 16.738 1.00 49.88 C ATOM 0 H PHE A 45 22.992 28.054 21.681 1.00 49.53 H new ATOM 0 HA PHE A 45 21.257 29.895 20.282 1.00 50.07 H new ATOM 0 HB2 PHE A 45 22.479 28.741 18.456 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.249 27.183 19.225 1.00 49.82 H new ATOM 0 HD1 PHE A 45 20.022 26.087 19.181 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.744 29.734 17.100 1.00 49.88 H new ATOM 0 HE1 PHE A 45 17.983 25.736 17.860 1.00 49.88 H new ATOM 0 HE2 PHE A 45 18.704 29.380 15.778 1.00 49.88 H new ATOM 0 HZ PHE A 45 17.318 27.385 16.158 1.00 49.88 H new ATOM 736 N ALA A 46 19.293 29.029 21.137 1.00 49.53 N ATOM 737 CA ALA A 46 17.978 28.648 21.691 1.00 50.07 C ATOM 738 C ALA A 46 18.120 28.482 23.196 1.00 50.51 C ATOM 739 O ALA A 46 17.232 27.955 23.882 1.00 49.49 O ATOM 740 CB ALA A 46 17.479 27.389 21.056 1.00 49.73 C ATOM 0 H ALA A 46 19.339 29.998 20.823 1.00 49.53 H new ATOM 0 HA ALA A 46 17.247 29.427 21.477 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.509 27.128 21.479 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.377 27.539 19.981 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.187 26.581 21.244 1.00 49.73 H new ATOM 746 N GLY A 47 19.259 28.888 23.676 1.00 49.53 N ATOM 747 CA GLY A 47 19.713 28.865 25.035 1.00 49.98 C ATOM 748 C GLY A 47 20.368 27.540 25.323 1.00 50.51 C ATOM 749 O GLY A 47 20.254 27.028 26.459 1.00 49.49 O ATOM 0 H GLY A 47 19.967 29.285 23.059 1.00 49.53 H new ATOM 0 HA2 GLY A 47 20.419 29.677 25.207 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.874 29.023 25.713 1.00 49.98 H new ATOM 753 N LYS A 48 21.084 26.991 24.381 1.00 49.53 N ATOM 754 CA LYS A 48 21.806 25.726 24.572 1.00 50.07 C ATOM 755 C LYS A 48 23.299 25.842 24.210 1.00 50.51 C ATOM 756 O LYS A 48 23.649 25.510 23.088 1.00 49.49 O ATOM 757 CB LYS A 48 21.156 24.612 23.749 1.00 49.82 C ATOM 758 CG LYS A 48 21.662 23.214 24.073 1.00 49.82 C ATOM 759 CD LYS A 48 20.775 22.146 23.448 1.00 49.82 C ATOM 760 CE LYS A 48 21.005 22.044 21.947 1.00 50.21 C ATOM 761 NZ LYS A 48 20.103 21.045 21.312 1.00 49.70 N ATOM 0 H LYS A 48 21.195 27.395 23.451 1.00 49.53 H new ATOM 0 HA LYS A 48 21.744 25.481 25.632 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.078 24.641 23.908 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.327 24.811 22.691 1.00 49.82 H new ATOM 0 HG2 LYS A 48 22.683 23.101 23.708 1.00 49.82 H new ATOM 0 HG3 LYS A 48 21.693 23.077 25.154 1.00 49.82 H new ATOM 0 HD2 LYS A 48 20.978 21.182 23.915 1.00 49.82 H new ATOM 0 HD3 LYS A 48 19.728 22.380 23.642 1.00 49.82 H new ATOM 0 HE2 LYS A 48 20.845 23.020 21.489 1.00 50.21 H new ATOM 0 HE3 LYS A 48 22.042 21.768 21.757 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 20.292 21.007 20.290 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 20.273 20.108 21.731 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 19.113 21.321 21.471 1.00 49.70 H new ATOM 775 N GLN A 49 24.117 26.278 25.130 1.00 49.53 N ATOM 776 CA GLN A 49 25.586 26.297 24.879 1.00 50.07 C ATOM 777 C GLN A 49 25.888 25.042 24.065 1.00 50.51 C ATOM 778 O GLN A 49 25.442 23.939 24.474 1.00 49.49 O ATOM 779 CB GLN A 49 26.373 26.294 26.191 1.00 49.82 C ATOM 780 CG GLN A 49 27.846 26.632 26.035 1.00 49.82 C ATOM 781 CD GLN A 49 28.611 26.495 27.337 1.00 50.55 C ATOM 782 OE1 GLN A 49 27.935 26.014 28.373 1.00 49.45 O flip ATOM 783 NE2 GLN A 49 29.802 26.814 27.410 1.00 49.38 N flip ATOM 0 H GLN A 49 23.830 26.622 26.046 1.00 49.53 H new ATOM 0 HA GLN A 49 25.881 27.201 24.347 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.918 27.010 26.876 1.00 49.82 H new ATOM 0 HB3 GLN A 49 26.284 25.310 26.652 1.00 49.82 H new ATOM 0 HG2 GLN A 49 28.289 25.976 25.286 1.00 49.82 H new ATOM 0 HG3 GLN A 49 27.945 27.652 25.664 1.00 49.82 H new ATOM 0 HE21 GLN A 49 30.283 27.180 26.588 1.00 49.38 H new ATOM 0 HE22 GLN A 49 30.304 26.712 28.292 1.00 49.38 H new ATOM 792 N LEU A 50 26.565 25.182 22.950 1.00 49.53 N ATOM 793 CA LEU A 50 26.836 24.052 22.045 1.00 50.07 C ATOM 794 C LEU A 50 27.630 22.960 22.743 1.00 50.51 C ATOM 795 O LEU A 50 28.720 23.254 23.193 1.00 49.49 O ATOM 796 CB LEU A 50 27.584 24.542 20.799 1.00 49.82 C ATOM 797 CG LEU A 50 26.701 24.827 19.577 1.00 49.91 C ATOM 798 CD1 LEU A 50 25.403 25.492 20.015 1.00 49.73 C ATOM 799 CD2 LEU A 50 27.457 25.714 18.599 1.00 49.73 C ATOM 0 H LEU A 50 26.949 26.072 22.631 1.00 49.53 H new ATOM 0 HA LEU A 50 25.880 23.626 21.743 1.00 50.07 H new ATOM 0 HB2 LEU A 50 28.127 25.452 21.055 1.00 49.82 H new ATOM 0 HB3 LEU A 50 28.327 23.794 20.524 1.00 49.82 H new ATOM 0 HG LEU A 50 26.453 23.889 19.081 1.00 49.91 H new ATOM 0 HD11 LEU A 50 24.783 25.690 19.141 1.00 49.73 H new ATOM 0 HD12 LEU A 50 24.868 24.831 20.697 1.00 49.73 H new ATOM 0 HD13 LEU A 50 25.628 26.431 20.521 1.00 49.73 H new ATOM 0 HD21 LEU A 50 26.829 25.916 17.731 1.00 49.73 H new ATOM 0 HD22 LEU A 50 27.716 26.654 19.086 1.00 49.73 H new ATOM 0 HD23 LEU A 50 28.368 25.208 18.278 1.00 49.73 H new ATOM 811 N GLU A 51 27.077 21.749 22.808 1.00 49.53 N ATOM 812 CA GLU A 51 27.764 20.647 23.514 1.00 50.07 C ATOM 813 C GLU A 51 28.670 19.928 22.553 1.00 50.51 C ATOM 814 O GLU A 51 28.232 19.591 21.455 1.00 49.49 O ATOM 815 CB GLU A 51 26.749 19.675 24.120 1.00 49.82 C ATOM 816 CG GLU A 51 25.883 20.274 25.219 1.00 49.72 C ATOM 817 CD GLU A 51 25.224 19.203 26.042 1.00 50.62 C ATOM 818 OE1 GLU A 51 24.540 18.383 25.477 1.00 49.24 O ATOM 819 OE2 GLU A 51 25.494 19.134 27.217 1.00 49.24 O ATOM 0 H GLU A 51 26.178 21.501 22.394 1.00 49.53 H new ATOM 0 HA GLU A 51 28.358 21.062 24.328 1.00 50.07 H new ATOM 0 HB2 GLU A 51 26.101 19.303 23.326 1.00 49.82 H new ATOM 0 HB3 GLU A 51 27.284 18.815 24.524 1.00 49.82 H new ATOM 0 HG2 GLU A 51 26.495 20.905 25.863 1.00 49.72 H new ATOM 0 HG3 GLU A 51 25.121 20.915 24.775 1.00 49.72 H new ATOM 826 N ASP A 52 29.908 19.670 22.897 1.00 49.53 N ATOM 827 CA ASP A 52 30.928 19.061 22.050 1.00 50.07 C ATOM 828 C ASP A 52 30.425 17.781 21.406 1.00 50.51 C ATOM 829 O ASP A 52 30.711 17.562 20.195 1.00 49.49 O ATOM 830 CB ASP A 52 32.196 18.780 22.858 1.00 49.72 C ATOM 831 CG ASP A 52 32.903 20.025 23.375 1.00 50.62 C ATOM 832 OD1 ASP A 52 32.436 21.105 23.102 1.00 49.24 O ATOM 833 OD2 ASP A 52 33.807 19.887 24.163 1.00 49.24 O ATOM 0 H ASP A 52 30.260 19.889 23.829 1.00 49.53 H new ATOM 0 HA ASP A 52 31.162 19.769 21.255 1.00 50.07 H new ATOM 0 HB2 ASP A 52 31.938 18.145 23.706 1.00 49.72 H new ATOM 0 HB3 ASP A 52 32.890 18.215 22.236 1.00 49.72 H new ATOM 838 N GLY A 53 29.810 16.909 22.173 1.00 49.53 N ATOM 839 CA GLY A 53 29.317 15.597 21.716 1.00 49.98 C ATOM 840 C GLY A 53 28.057 15.534 20.917 1.00 50.51 C ATOM 841 O GLY A 53 27.410 14.466 20.826 1.00 49.49 O ATOM 0 H GLY A 53 29.626 17.083 23.161 1.00 49.53 H new ATOM 0 HA2 GLY A 53 30.107 15.138 21.121 1.00 49.98 H new ATOM 0 HA3 GLY A 53 29.178 14.972 22.598 1.00 49.98 H new ATOM 845 N ARG A 54 27.641 16.619 20.275 1.00 49.53 N ATOM 846 CA ARG A 54 26.448 16.612 19.404 1.00 50.07 C ATOM 847 C ARG A 54 26.825 16.786 17.940 1.00 50.51 C ATOM 848 O ARG A 54 27.874 17.385 17.621 1.00 49.49 O ATOM 849 CB ARG A 54 25.415 17.642 19.839 1.00 49.82 C ATOM 850 CG ARG A 54 25.089 17.632 21.324 1.00 49.82 C ATOM 851 CD ARG A 54 24.221 16.505 21.752 1.00 50.20 C ATOM 852 NE ARG A 54 23.929 16.476 23.177 1.00 49.30 N ATOM 853 CZ ARG A 54 23.145 15.560 23.778 1.00 50.64 C ATOM 854 NH1 ARG A 54 22.543 14.622 23.082 1.00 49.20 N ATOM 855 NH2 ARG A 54 22.978 15.645 25.087 1.00 49.20 N ATOM 0 H ARG A 54 28.108 17.524 20.335 1.00 49.53 H new ATOM 0 HA ARG A 54 25.984 15.632 19.511 1.00 50.07 H new ATOM 0 HB2 ARG A 54 25.776 18.634 19.567 1.00 49.82 H new ATOM 0 HB3 ARG A 54 24.496 17.473 19.279 1.00 49.82 H new ATOM 0 HG2 ARG A 54 26.021 17.592 21.888 1.00 49.82 H new ATOM 0 HG3 ARG A 54 24.599 18.571 21.583 1.00 49.82 H new ATOM 0 HD2 ARG A 54 23.281 16.558 21.202 1.00 50.20 H new ATOM 0 HD3 ARG A 54 24.701 15.567 21.473 1.00 50.20 H new ATOM 0 HE ARG A 54 24.347 17.200 23.762 1.00 49.30 H new ATOM 0 HH11 ARG A 54 22.666 14.579 22.070 1.00 49.20 H new ATOM 0 HH12 ARG A 54 21.953 13.936 23.553 1.00 49.20 H new ATOM 0 HH21 ARG A 54 23.437 16.389 25.612 1.00 49.20 H new ATOM 0 HH22 ARG A 54 22.390 14.966 25.571 1.00 49.20 H new ATOM 869 N THR A 55 25.954 16.367 17.057 1.00 49.53 N ATOM 870 CA THR A 55 26.122 16.509 15.594 1.00 50.07 C ATOM 871 C THR A 55 25.431 17.800 15.092 1.00 50.51 C ATOM 872 O THR A 55 24.648 18.405 15.816 1.00 49.49 O ATOM 873 CB THR A 55 25.548 15.299 14.834 1.00 50.14 C ATOM 874 OG1 THR A 55 24.117 15.359 14.847 1.00 49.34 O ATOM 875 CG2 THR A 55 26.003 14.000 15.482 1.00 49.73 C ATOM 0 H THR A 55 25.083 15.905 17.319 1.00 49.53 H new ATOM 0 HA THR A 55 27.193 16.564 15.398 1.00 50.07 H new ATOM 0 HB THR A 55 25.910 15.328 13.806 1.00 50.14 H new ATOM 0 HG1 THR A 55 23.753 14.589 14.362 1.00 49.34 H new ATOM 0 HG21 THR A 55 25.589 13.155 14.933 1.00 49.73 H new ATOM 0 HG22 THR A 55 27.092 13.946 15.464 1.00 49.73 H new ATOM 0 HG23 THR A 55 25.655 13.967 16.515 1.00 49.73 H new ATOM 883 N LEU A 56 25.738 18.167 13.864 1.00 49.53 N ATOM 884 CA LEU A 56 25.122 19.337 13.214 1.00 50.07 C ATOM 885 C LEU A 56 23.599 19.347 13.126 1.00 50.51 C ATOM 886 O LEU A 56 23.028 20.400 13.213 1.00 49.49 O ATOM 887 CB LEU A 56 25.712 19.505 11.808 1.00 49.82 C ATOM 888 CG LEU A 56 27.115 20.124 11.759 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.570 20.270 10.312 1.00 49.73 C ATOM 890 CD2 LEU A 56 27.101 21.475 12.459 1.00 49.73 C ATOM 0 H LEU A 56 26.415 17.675 13.281 1.00 49.53 H new ATOM 0 HA LEU A 56 25.363 20.173 13.871 1.00 50.07 H new ATOM 0 HB2 LEU A 56 25.746 18.528 11.326 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.037 20.127 11.220 1.00 49.82 H new ATOM 0 HG LEU A 56 27.819 19.471 12.274 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.567 20.710 10.287 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.594 19.289 9.838 1.00 49.73 H new ATOM 0 HD13 LEU A 56 26.875 20.915 9.775 1.00 49.73 H new ATOM 0 HD21 LEU A 56 28.098 21.914 12.423 1.00 49.73 H new ATOM 0 HD22 LEU A 56 26.395 22.137 11.958 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.799 21.343 13.498 1.00 49.73 H new ATOM 902 N SER A 57 22.975 18.153 13.073 1.00 49.53 N ATOM 903 CA SER A 57 21.494 18.161 12.976 1.00 50.07 C ATOM 904 C SER A 57 20.819 18.203 14.329 1.00 50.51 C ATOM 905 O SER A 57 19.631 18.633 14.438 1.00 49.49 O ATOM 906 CB SER A 57 21.022 16.950 12.196 1.00 50.05 C ATOM 907 OG SER A 57 19.641 16.746 12.323 1.00 49.34 O ATOM 0 H SER A 57 23.424 17.237 13.093 1.00 49.53 H new ATOM 0 HA SER A 57 21.211 19.074 12.452 1.00 50.07 H new ATOM 0 HB2 SER A 57 21.274 17.077 11.143 1.00 50.05 H new ATOM 0 HB3 SER A 57 21.552 16.065 12.546 1.00 50.05 H new ATOM 0 HG SER A 57 19.378 15.957 11.804 1.00 49.34 H new ATOM 913 N ASP A 58 21.532 17.807 15.368 1.00 49.53 N ATOM 914 CA ASP A 58 20.967 17.812 16.744 1.00 50.07 C ATOM 915 C ASP A 58 20.447 19.232 16.988 1.00 50.51 C ATOM 916 O ASP A 58 19.490 19.469 17.733 1.00 49.49 O ATOM 917 CB ASP A 58 22.028 17.431 17.781 1.00 49.72 C ATOM 918 CG ASP A 58 22.187 15.931 17.996 1.00 50.62 C ATOM 919 OD1 ASP A 58 21.351 15.193 17.533 1.00 49.24 O ATOM 920 OD2 ASP A 58 23.216 15.528 18.481 1.00 49.24 O ATOM 0 H ASP A 58 22.495 17.478 15.307 1.00 49.53 H new ATOM 0 HA ASP A 58 20.168 17.077 16.841 1.00 50.07 H new ATOM 0 HB2 ASP A 58 22.987 17.845 17.471 1.00 49.72 H new ATOM 0 HB3 ASP A 58 21.773 17.897 18.733 1.00 49.72 H new ATOM 925 N TYR A 59 21.167 20.181 16.462 1.00 49.53 N ATOM 926 CA TYR A 59 20.845 21.604 16.559 1.00 50.07 C ATOM 927 C TYR A 59 19.814 21.957 15.511 1.00 50.51 C ATOM 928 O TYR A 59 18.963 22.820 15.801 1.00 49.49 O ATOM 929 CB TYR A 59 22.104 22.457 16.379 1.00 49.82 C ATOM 930 CG TYR A 59 23.217 22.119 17.345 1.00 50.00 C ATOM 931 CD1 TYR A 59 23.191 22.586 18.650 1.00 49.88 C ATOM 932 CD2 TYR A 59 24.292 21.337 16.948 1.00 49.88 C ATOM 933 CE1 TYR A 59 24.205 22.281 19.538 1.00 49.88 C ATOM 934 CE2 TYR A 59 25.312 21.026 17.827 1.00 49.88 C ATOM 935 CZ TYR A 59 25.264 21.500 19.122 1.00 50.11 C ATOM 936 OH TYR A 59 26.277 21.194 20.002 1.00 49.46 O ATOM 0 H TYR A 59 22.021 19.997 15.936 1.00 49.53 H new ATOM 0 HA TYR A 59 20.438 21.810 17.549 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.471 22.335 15.360 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.839 23.508 16.498 1.00 49.82 H new ATOM 0 HD1 TYR A 59 22.364 23.199 18.978 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.332 20.965 15.935 1.00 49.88 H new ATOM 0 HE1 TYR A 59 24.169 22.652 20.552 1.00 49.88 H new ATOM 0 HE2 TYR A 59 26.142 20.416 17.502 1.00 49.88 H new ATOM 0 HH TYR A 59 26.894 21.953 20.067 1.00 49.46 H new ATOM 946 N ASN A 60 19.774 21.337 14.351 1.00 49.53 N ATOM 947 CA ASN A 60 18.747 21.713 13.357 1.00 50.07 C ATOM 948 C ASN A 60 19.030 23.014 12.615 1.00 50.51 C ATOM 949 O ASN A 60 18.104 23.763 12.246 1.00 49.49 O ATOM 950 CB ASN A 60 17.374 21.784 13.998 1.00 49.82 C ATOM 951 CG ASN A 60 16.908 20.476 14.578 1.00 50.55 C ATOM 952 OD1 ASN A 60 17.144 19.418 13.845 1.00 49.45 O flip ATOM 953 ND2 ASN A 60 16.410 20.418 15.708 1.00 49.38 N flip ATOM 0 H ASN A 60 20.410 20.593 14.063 1.00 49.53 H new ATOM 0 HA ASN A 60 18.777 20.920 12.610 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.390 22.536 14.787 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.652 22.119 13.253 1.00 49.82 H new ATOM 0 HD21 ASN A 60 16.247 21.274 16.238 1.00 49.38 H new ATOM 0 HD22 ASN A 60 16.162 19.514 16.110 1.00 49.38 H new ATOM 960 N ILE A 61 20.289 23.268 12.317 1.00 49.53 N ATOM 961 CA ILE A 61 20.669 24.467 11.512 1.00 50.07 C ATOM 962 C ILE A 61 20.215 24.397 10.056 1.00 50.51 C ATOM 963 O ILE A 61 20.844 23.567 9.335 1.00 49.49 O ATOM 964 CB ILE A 61 22.191 24.697 11.543 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.677 24.862 12.985 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.563 25.913 10.710 1.00 49.73 C ATOM 967 CD1 ILE A 61 24.167 24.675 13.153 1.00 49.73 C ATOM 0 H ILE A 61 21.074 22.684 12.604 1.00 49.53 H new ATOM 0 HA ILE A 61 20.148 25.301 11.982 1.00 50.07 H new ATOM 0 HB ILE A 61 22.682 23.824 11.112 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.403 25.856 13.339 1.00 49.82 H new ATOM 0 HG13 ILE A 61 22.157 24.143 13.618 1.00 49.82 H new ATOM 0 HG21 ILE A 61 23.642 26.060 10.743 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.250 25.757 9.678 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.064 26.795 11.111 1.00 49.73 H new ATOM 0 HD11 ILE A 61 24.434 24.807 14.201 1.00 49.73 H new ATOM 0 HD12 ILE A 61 24.446 23.672 12.831 1.00 49.73 H new ATOM 0 HD13 ILE A 61 24.697 25.411 12.548 1.00 49.73 H new ATOM 979 N GLN A 62 19.247 25.176 9.664 1.00 49.53 N ATOM 980 CA GLN A 62 18.672 25.150 8.288 1.00 50.07 C ATOM 981 C GLN A 62 19.248 26.404 7.625 1.00 50.51 C ATOM 982 O GLN A 62 20.096 27.085 8.225 1.00 49.49 O ATOM 983 CB GLN A 62 17.141 25.198 8.318 1.00 49.82 C ATOM 984 CG GLN A 62 16.488 23.924 8.825 1.00 49.82 C ATOM 985 CD GLN A 62 17.057 22.680 8.169 1.00 50.55 C ATOM 986 OE1 GLN A 62 17.501 21.751 8.849 1.00 49.45 O ATOM 987 NE2 GLN A 62 17.050 22.657 6.841 1.00 49.38 N ATOM 0 H GLN A 62 18.809 25.866 10.274 1.00 49.53 H new ATOM 0 HA GLN A 62 18.922 24.235 7.751 1.00 50.07 H new ATOM 0 HB2 GLN A 62 16.827 26.030 8.949 1.00 49.82 H new ATOM 0 HB3 GLN A 62 16.775 25.405 7.312 1.00 49.82 H new ATOM 0 HG2 GLN A 62 16.622 23.855 9.905 1.00 49.82 H new ATOM 0 HG3 GLN A 62 15.415 23.971 8.639 1.00 49.82 H new ATOM 0 HE21 GLN A 62 16.673 23.448 6.319 1.00 49.38 H new ATOM 0 HE22 GLN A 62 17.422 21.848 6.343 1.00 49.38 H new ATOM 996 N LYS A 63 18.842 26.689 6.388 1.00 49.53 N ATOM 997 CA LYS A 63 19.363 27.810 5.637 1.00 50.07 C ATOM 998 C LYS A 63 18.839 29.013 6.416 1.00 50.51 C ATOM 999 O LYS A 63 17.947 28.936 7.245 1.00 49.49 O ATOM 1000 CB LYS A 63 18.854 27.808 4.194 1.00 49.82 C ATOM 1001 CG LYS A 63 19.131 26.521 3.430 1.00 49.82 C ATOM 1002 CD LYS A 63 20.621 26.338 3.175 1.00 49.82 C ATOM 1003 CE LYS A 63 20.893 25.080 2.363 1.00 50.21 C ATOM 1004 NZ LYS A 63 20.330 25.171 0.989 1.00 49.70 N ATOM 0 H LYS A 63 18.142 26.143 5.886 1.00 49.53 H new ATOM 0 HA LYS A 63 20.449 27.797 5.546 1.00 50.07 H new ATOM 0 HB2 LYS A 63 17.779 27.988 4.201 1.00 49.82 H new ATOM 0 HB3 LYS A 63 19.313 28.639 3.659 1.00 49.82 H new ATOM 0 HG2 LYS A 63 18.750 25.671 3.996 1.00 49.82 H new ATOM 0 HG3 LYS A 63 18.597 26.537 2.480 1.00 49.82 H new ATOM 0 HD2 LYS A 63 21.011 27.207 2.645 1.00 49.82 H new ATOM 0 HD3 LYS A 63 21.151 26.281 4.126 1.00 49.82 H new ATOM 0 HE2 LYS A 63 21.968 24.912 2.304 1.00 50.21 H new ATOM 0 HE3 LYS A 63 20.464 24.218 2.874 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 20.705 24.394 0.408 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 19.293 25.101 1.033 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 20.597 26.082 0.564 1.00 49.70 H new ATOM 1018 N GLU A 64 19.502 30.142 6.122 1.00 49.53 N ATOM 1019 CA GLU A 64 19.229 31.437 6.688 1.00 50.07 C ATOM 1020 C GLU A 64 19.169 31.466 8.187 1.00 50.51 C ATOM 1021 O GLU A 64 18.347 32.184 8.811 1.00 49.49 O ATOM 1022 CB GLU A 64 17.923 31.992 6.116 1.00 49.82 C ATOM 1023 CG GLU A 64 18.000 32.393 4.650 1.00 49.72 C ATOM 1024 CD GLU A 64 16.693 32.958 4.169 1.00 50.62 C ATOM 1025 OE1 GLU A 64 15.767 33.007 4.943 1.00 49.24 O ATOM 1026 OE2 GLU A 64 16.650 33.445 3.064 1.00 49.24 O ATOM 0 H GLU A 64 20.272 30.159 5.453 1.00 49.53 H new ATOM 0 HA GLU A 64 20.078 32.061 6.408 1.00 50.07 H new ATOM 0 HB2 GLU A 64 17.141 31.242 6.235 1.00 49.82 H new ATOM 0 HB3 GLU A 64 17.624 32.861 6.703 1.00 49.82 H new ATOM 0 HG2 GLU A 64 18.790 33.132 4.514 1.00 49.72 H new ATOM 0 HG3 GLU A 64 18.267 31.525 4.047 1.00 49.72 H new ATOM 1033 N SER A 65 20.139 30.801 8.795 1.00 49.53 N ATOM 1034 CA SER A 65 20.329 30.794 10.250 1.00 50.07 C ATOM 1035 C SER A 65 21.573 31.579 10.732 1.00 50.51 C ATOM 1036 O SER A 65 22.612 31.547 10.083 1.00 49.49 O ATOM 1037 CB SER A 65 20.401 29.364 10.748 1.00 50.05 C ATOM 1038 OG SER A 65 20.872 29.288 12.065 1.00 49.34 O ATOM 0 H SER A 65 20.828 30.242 8.292 1.00 49.53 H new ATOM 0 HA SER A 65 19.466 31.310 10.671 1.00 50.07 H new ATOM 0 HB2 SER A 65 19.412 28.910 10.691 1.00 50.05 H new ATOM 0 HB3 SER A 65 21.055 28.786 10.095 1.00 50.05 H new ATOM 0 HG SER A 65 20.902 28.350 12.348 1.00 49.34 H new ATOM 1044 N THR A 66 21.426 32.327 11.793 1.00 49.53 N ATOM 1045 CA THR A 66 22.540 33.056 12.410 1.00 50.07 C ATOM 1046 C THR A 66 22.845 32.645 13.850 1.00 50.51 C ATOM 1047 O THR A 66 21.920 32.701 14.690 1.00 49.49 O ATOM 1048 CB THR A 66 22.289 34.575 12.380 1.00 50.14 C ATOM 1049 OG1 THR A 66 22.031 34.994 11.034 1.00 49.34 O ATOM 1050 CG2 THR A 66 23.498 35.327 12.917 1.00 49.73 C ATOM 0 H THR A 66 20.533 32.459 12.268 1.00 49.53 H new ATOM 0 HA THR A 66 23.408 32.791 11.807 1.00 50.07 H new ATOM 0 HB THR A 66 21.427 34.797 13.009 1.00 50.14 H new ATOM 0 HG1 THR A 66 21.870 35.961 11.017 1.00 49.34 H new ATOM 0 HG21 THR A 66 23.302 36.399 12.888 1.00 49.73 H new ATOM 0 HG22 THR A 66 23.690 35.021 13.945 1.00 49.73 H new ATOM 0 HG23 THR A 66 24.370 35.101 12.303 1.00 49.73 H new ATOM 1058 N LEU A 67 24.043 32.107 14.101 1.00 49.53 N ATOM 1059 CA LEU A 67 24.438 31.791 15.480 1.00 50.07 C ATOM 1060 C LEU A 67 25.156 32.991 16.132 1.00 50.51 C ATOM 1061 O LEU A 67 25.725 33.753 15.333 1.00 49.49 O ATOM 1062 CB LEU A 67 25.340 30.550 15.503 1.00 49.82 C ATOM 1063 CG LEU A 67 24.642 29.229 15.154 1.00 49.91 C ATOM 1064 CD1 LEU A 67 25.677 28.141 14.906 1.00 49.73 C ATOM 1065 CD2 LEU A 67 23.705 28.835 16.287 1.00 49.73 C ATOM 0 H LEU A 67 24.740 31.886 13.390 1.00 49.53 H new ATOM 0 HA LEU A 67 23.537 31.580 16.056 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.161 30.704 14.803 1.00 49.82 H new ATOM 0 HB3 LEU A 67 25.780 30.459 16.496 1.00 49.82 H new ATOM 0 HG LEU A 67 24.057 29.356 14.243 1.00 49.91 H new ATOM 0 HD11 LEU A 67 25.171 27.207 14.659 1.00 49.73 H new ATOM 0 HD12 LEU A 67 26.322 28.434 14.078 1.00 49.73 H new ATOM 0 HD13 LEU A 67 26.280 28.001 15.803 1.00 49.73 H new ATOM 0 HD21 LEU A 67 23.209 27.897 16.039 1.00 49.73 H new ATOM 0 HD22 LEU A 67 24.278 28.711 17.206 1.00 49.73 H new ATOM 0 HD23 LEU A 67 22.957 29.615 16.428 1.00 49.73 H new ATOM 1077 N HIS A 68 25.096 33.105 17.410 1.00 49.53 N ATOM 1078 CA HIS A 68 25.813 34.219 18.077 1.00 50.07 C ATOM 1079 C HIS A 68 27.194 33.829 18.596 1.00 50.51 C ATOM 1080 O HIS A 68 27.413 32.678 19.031 1.00 49.49 O ATOM 1081 CB HIS A 68 24.972 34.779 19.230 1.00 49.92 C ATOM 1082 CG HIS A 68 23.689 35.410 18.786 1.00 50.22 C ATOM 1083 ND1 HIS A 68 22.864 36.104 19.648 1.00 49.30 N ATOM 1084 CD2 HIS A 68 23.087 35.452 17.574 1.00 49.95 C ATOM 1085 CE1 HIS A 68 21.811 36.547 18.983 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.922 36.164 17.724 1.00 49.64 N ATOM 0 H HIS A 68 24.583 32.479 18.031 1.00 49.53 H new ATOM 0 HA HIS A 68 25.964 34.982 17.313 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.748 33.974 19.929 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.561 35.518 19.773 1.00 49.92 H new ATOM 0 HD2 HIS A 68 23.454 35.009 16.660 1.00 49.95 H new ATOM 0 HE1 HIS A 68 20.998 37.124 19.399 1.00 50.25 H new ATOM 0 HE2 HIS A 68 21.251 36.365 16.983 1.00 49.64 H new ATOM 1094 N LEU A 69 28.127 34.767 18.565 1.00 49.53 N ATOM 1095 CA LEU A 69 29.467 34.546 19.099 1.00 50.07 C ATOM 1096 C LEU A 69 29.650 35.301 20.381 1.00 50.51 C ATOM 1097 O LEU A 69 29.893 36.558 20.302 1.00 49.49 O ATOM 1098 CB LEU A 69 30.526 34.965 18.072 1.00 49.82 C ATOM 1099 CG LEU A 69 31.972 34.615 18.445 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.093 33.122 18.717 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.904 35.035 17.318 1.00 49.73 C ATOM 0 H LEU A 69 27.982 35.697 18.173 1.00 49.53 H new ATOM 0 HA LEU A 69 29.588 33.483 19.306 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.290 34.494 17.118 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.457 36.042 17.922 1.00 49.82 H new ATOM 0 HG LEU A 69 32.254 35.151 19.351 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.123 32.883 18.981 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.434 32.848 19.541 1.00 49.73 H new ATOM 0 HD13 LEU A 69 31.809 32.565 17.824 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.931 34.786 17.584 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.628 34.510 16.403 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.821 36.110 17.159 1.00 49.73 H new ATOM 1113 N VAL A 70 29.575 34.673 21.508 1.00 49.53 N ATOM 1114 CA VAL A 70 29.857 35.361 22.801 1.00 50.07 C ATOM 1115 C VAL A 70 31.305 35.118 23.250 1.00 50.51 C ATOM 1116 O VAL A 70 31.709 33.941 23.392 1.00 49.49 O ATOM 1117 CB VAL A 70 28.898 34.893 23.913 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.245 35.563 25.233 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.456 35.186 23.530 1.00 49.73 C ATOM 0 H VAL A 70 29.325 33.688 21.598 1.00 49.53 H new ATOM 0 HA VAL A 70 29.705 36.427 22.631 1.00 50.07 H new ATOM 0 HB VAL A 70 29.011 33.816 24.034 1.00 49.91 H new ATOM 0 HG11 VAL A 70 28.558 35.221 26.007 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.266 35.305 25.515 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.161 36.644 25.125 1.00 49.73 H new ATOM 0 HG21 VAL A 70 26.792 34.849 24.326 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.330 36.258 23.382 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.211 34.661 22.607 1.00 49.73 H new ATOM 1129 N LEU A 71 32.066 36.169 23.439 1.00 49.53 N ATOM 1130 CA LEU A 71 33.464 36.026 23.905 1.00 50.07 C ATOM 1131 C LEU A 71 33.704 35.671 25.347 1.00 50.51 C ATOM 1132 O LEU A 71 33.158 36.310 26.269 1.00 49.49 O ATOM 1133 CB LEU A 71 34.235 37.311 23.575 1.00 49.82 C ATOM 1134 CG LEU A 71 34.346 37.640 22.081 1.00 49.91 C ATOM 1135 CD1 LEU A 71 34.832 39.072 21.897 1.00 49.73 C ATOM 1136 CD2 LEU A 71 35.296 36.658 21.411 1.00 49.73 C ATOM 0 H LEU A 71 31.765 37.131 23.285 1.00 49.53 H new ATOM 0 HA LEU A 71 33.819 35.148 23.366 1.00 50.07 H new ATOM 0 HB2 LEU A 71 33.750 38.147 24.080 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.240 37.229 23.988 1.00 49.82 H new ATOM 0 HG LEU A 71 33.365 37.550 21.616 1.00 49.91 H new ATOM 0 HD11 LEU A 71 34.908 39.297 20.833 1.00 49.73 H new ATOM 0 HD12 LEU A 71 34.126 39.759 22.363 1.00 49.73 H new ATOM 0 HD13 LEU A 71 35.811 39.187 22.363 1.00 49.73 H new ATOM 0 HD21 LEU A 71 35.374 36.893 20.350 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.281 36.732 21.872 1.00 49.73 H new ATOM 0 HD23 LEU A 71 34.915 35.644 21.531 1.00 49.73 H new ATOM 1148 N ARG A 72 34.555 34.746 25.594 1.00 49.53 N ATOM 1149 CA ARG A 72 34.937 34.329 26.960 1.00 50.07 C ATOM 1150 C ARG A 72 36.404 34.726 27.116 1.00 50.51 C ATOM 1151 O ARG A 72 37.133 34.357 26.141 1.00 49.49 O ATOM 1152 CB ARG A 72 34.702 32.849 27.219 1.00 49.82 C ATOM 1153 CG ARG A 72 34.967 32.400 28.648 1.00 49.82 C ATOM 1154 CD ARG A 72 34.471 31.035 28.963 1.00 50.20 C ATOM 1155 NE ARG A 72 34.800 30.569 30.299 1.00 49.30 N ATOM 1156 CZ ARG A 72 34.119 30.900 31.414 1.00 50.64 C ATOM 1157 NH1 ARG A 72 33.099 31.728 31.364 1.00 49.20 N ATOM 1158 NH2 ARG A 72 34.519 30.391 32.566 1.00 49.20 N ATOM 0 H ARG A 72 35.036 34.225 24.861 1.00 49.53 H new ATOM 0 HA ARG A 72 34.312 34.822 27.704 1.00 50.07 H new ATOM 0 HB2 ARG A 72 33.670 32.610 26.964 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.338 32.272 26.548 1.00 49.82 H new ATOM 0 HG2 ARG A 72 36.040 32.436 28.834 1.00 49.82 H new ATOM 0 HG3 ARG A 72 34.501 33.110 29.332 1.00 49.82 H new ATOM 0 HD2 ARG A 72 33.388 31.019 28.843 1.00 50.20 H new ATOM 0 HD3 ARG A 72 34.883 30.335 28.236 1.00 50.20 H new ATOM 0 HE ARG A 72 35.603 29.948 30.400 1.00 49.30 H new ATOM 0 HH11 ARG A 72 32.812 32.130 30.472 1.00 49.20 H new ATOM 0 HH12 ARG A 72 32.595 31.968 32.217 1.00 49.20 H new ATOM 0 HH21 ARG A 72 35.324 29.765 32.595 1.00 49.20 H new ATOM 0 HH22 ARG A 72 34.023 30.624 33.426 1.00 49.20 H new ATOM 1172 N LEU A 73 36.806 35.373 28.159 1.00 49.53 N ATOM 1173 CA LEU A 73 38.233 35.762 28.287 1.00 50.07 C ATOM 1174 C LEU A 73 38.969 34.846 29.253 1.00 50.51 C ATOM 1175 O LEU A 73 38.398 33.881 29.784 1.00 49.49 O ATOM 1176 CB LEU A 73 38.346 37.222 28.743 1.00 49.82 C ATOM 1177 CG LEU A 73 37.735 38.255 27.787 1.00 49.91 C ATOM 1178 CD1 LEU A 73 38.020 39.664 28.289 1.00 49.73 C ATOM 1179 CD2 LEU A 73 38.307 38.055 26.391 1.00 49.73 C ATOM 0 H LEU A 73 36.208 35.653 28.936 1.00 49.53 H new ATOM 0 HA LEU A 73 38.700 35.660 27.308 1.00 50.07 H new ATOM 0 HB2 LEU A 73 37.863 37.320 29.715 1.00 49.82 H new ATOM 0 HB3 LEU A 73 39.400 37.461 28.885 1.00 49.82 H new ATOM 0 HG LEU A 73 36.654 38.119 27.747 1.00 49.91 H new ATOM 0 HD11 LEU A 73 37.582 40.390 27.604 1.00 49.73 H new ATOM 0 HD12 LEU A 73 37.585 39.792 29.280 1.00 49.73 H new ATOM 0 HD13 LEU A 73 39.097 39.820 28.343 1.00 49.73 H new ATOM 0 HD21 LEU A 73 37.873 38.789 25.712 1.00 49.73 H new ATOM 0 HD22 LEU A 73 39.389 38.182 26.420 1.00 49.73 H new ATOM 0 HD23 LEU A 73 38.069 37.051 26.041 1.00 49.73 H new ATOM 1191 N ARG A 74 40.242 35.165 29.426 1.00 49.53 N ATOM 1192 CA ARG A 74 41.130 34.398 30.315 1.00 50.07 C ATOM 1193 C ARG A 74 41.714 35.444 31.260 1.00 50.51 C ATOM 1194 O ARG A 74 42.933 35.696 31.256 1.00 49.49 O ATOM 1195 CB ARG A 74 42.200 33.618 29.566 1.00 49.82 C ATOM 1196 CG ARG A 74 41.670 32.583 28.585 1.00 49.82 C ATOM 1197 CD ARG A 74 42.656 32.142 27.566 1.00 50.20 C ATOM 1198 NE ARG A 74 43.733 31.317 28.088 1.00 49.30 N ATOM 1199 CZ ARG A 74 44.872 31.036 27.425 1.00 50.64 C ATOM 1200 NH1 ARG A 74 45.071 31.477 26.204 1.00 49.20 N ATOM 1201 NH2 ARG A 74 45.775 30.281 28.027 1.00 49.20 N ATOM 0 H ARG A 74 40.695 35.953 28.964 1.00 49.53 H new ATOM 0 HA ARG A 74 40.588 33.619 30.851 1.00 50.07 H new ATOM 0 HB2 ARG A 74 42.830 34.323 29.023 1.00 49.82 H new ATOM 0 HB3 ARG A 74 42.838 33.115 30.293 1.00 49.82 H new ATOM 0 HG2 ARG A 74 41.329 31.712 29.144 1.00 49.82 H new ATOM 0 HG3 ARG A 74 40.799 32.996 28.076 1.00 49.82 H new ATOM 0 HD2 ARG A 74 42.132 31.585 26.789 1.00 50.20 H new ATOM 0 HD3 ARG A 74 43.088 33.023 27.091 1.00 50.20 H new ATOM 0 HE ARG A 74 43.619 30.923 29.022 1.00 49.30 H new ATOM 0 HH11 ARG A 74 44.357 32.042 25.743 1.00 49.20 H new ATOM 0 HH12 ARG A 74 45.939 31.255 25.717 1.00 49.20 H new ATOM 0 HH21 ARG A 74 45.600 29.928 28.968 1.00 49.20 H new ATOM 0 HH22 ARG A 74 46.647 30.051 27.551 1.00 49.20 H new ATOM 1215 N GLY A 75 40.837 35.983 32.099 1.00 49.53 N ATOM 1216 CA GLY A 75 41.195 36.989 33.089 1.00 49.98 C ATOM 1217 C GLY A 75 40.567 38.356 32.899 1.00 50.51 C ATOM 1218 O GLY A 75 40.365 38.840 31.772 1.00 49.49 O ATOM 0 H GLY A 75 39.849 35.731 32.110 1.00 49.53 H new ATOM 0 HA2 GLY A 75 40.917 36.616 34.075 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.279 37.105 33.086 1.00 49.98 H new ATOM 1222 N GLY A 76 40.299 38.979 34.030 1.00 49.53 N ATOM 1223 CA GLY A 76 39.704 40.321 34.126 1.00 49.98 C ATOM 1224 C GLY A 76 39.329 40.480 35.608 1.00 50.51 C ATOM 1225 O GLY A 76 38.209 40.973 35.846 1.00 49.49 O ATOM 0 H GLY A 76 40.491 38.563 34.941 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.410 41.090 33.812 1.00 49.98 H new ATOM 0 HA3 GLY A 76 38.828 40.412 33.484 1.00 49.98 H new