USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 525 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 THR OG1 : rot -175:sc= -2.34 USER MOD Set 1.2: A 21 MET CE :methyl 156:sc= -2.99 (180deg=-2.46!) USER MOD Set 2.1: A 14 ASN : amide:sc= -5.88! K(o=-8.9!,f=-3.7) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -155:sc= -2.97 (180deg=-0.8) USER MOD Set 3.1: A 2 GLN : amide:sc= -1.83! C(o=-1.2!,f=-9.9!) USER MOD Set 3.2: A 4 SER OG : rot -1:sc= 0.635 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -121:sc= 0.762 (180deg=-0.303) USER MOD Single : A 1 ASN : amide:sc= -4.46! C(o=-4.5!,f=-5.5!) USER MOD Single : A 9 GLN : amide:sc= -0.77 X(o=-0.77,f=-0.31) USER MOD Single : A 15 THR OG1 : rot -60:sc= -1.58 USER MOD Single : A 22 MET CE :methyl -137:sc= -2.36 (180deg=-3.17) USER MOD Single : A 23 THR OG1 : rot -115:sc= 0.246! USER MOD Single : A 24 THR OG1 : rot 88:sc= 1.2 USER MOD Single : A 28 SER OG : rot 180:sc=-0.00779 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 42 SER OG : rot -70:sc= 0.96 USER MOD Single : A 43 MET CE :methyl -134:sc= -5.33! (180deg=-11.8!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -4.68! C(o=-4.7!,f=-8.8!) USER MOD Single : A 47 GLN : amide:sc= -2.26! K(o=-2.3!,f=-1.1) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 101:sc= 0.155 USER MOD Single : A 54 THR OG1 : rot -20:sc= -5.27! USER MOD Single : A 56 MET CE :methyl -153:sc= -0.957 (180deg=-2.66!) USER MOD Single : A 59 MET CE :methyl -119:sc= -5.96! (180deg=-7.2!) USER MOD Single : A 63 TYR OH : rot -33:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -0.576 1.064 0.594 1.00 10.34 N ATOM 2 CA MET A 0 0.515 1.230 -0.350 1.00 45.43 C ATOM 3 C MET A 0 0.447 0.177 -1.458 1.00 24.23 C ATOM 4 O MET A 0 1.477 -0.328 -1.903 1.00 73.12 O ATOM 5 CB MET A 0 1.851 1.111 0.386 1.00 0.35 C ATOM 6 CG MET A 0 2.032 -0.291 0.971 1.00 35.20 C ATOM 7 SD MET A 0 1.315 -0.369 2.604 1.00 51.20 S ATOM 8 CE MET A 0 1.738 -2.045 3.049 1.00 74.14 C ATOM 0 H1 MET A 0 -1.144 1.934 0.624 1.00 10.34 H new ATOM 0 H2 MET A 0 -1.176 0.269 0.295 1.00 10.34 H new ATOM 0 H3 MET A 0 -0.190 0.869 1.540 1.00 10.34 H new ATOM 0 HA MET A 0 0.428 2.216 -0.806 1.00 45.43 H new ATOM 0 HB2 MET A 0 2.669 1.331 -0.300 1.00 0.35 H new ATOM 0 HB3 MET A 0 1.897 1.851 1.185 1.00 0.35 H new ATOM 0 HG2 MET A 0 1.560 -1.028 0.322 1.00 35.20 H new ATOM 0 HG3 MET A 0 3.092 -0.540 1.018 1.00 35.20 H new ATOM 0 HE1 MET A 0 1.362 -2.262 4.049 1.00 74.14 H new ATOM 0 HE2 MET A 0 1.289 -2.735 2.335 1.00 74.14 H new ATOM 0 HE3 MET A 0 2.822 -2.163 3.035 1.00 74.14 H new ATOM 18 N ASN A 1 -0.775 -0.124 -1.870 1.00 53.21 N ATOM 19 CA ASN A 1 -0.991 -1.108 -2.917 1.00 31.21 C ATOM 20 C ASN A 1 -1.693 -0.441 -4.101 1.00 72.14 C ATOM 21 O ASN A 1 -2.637 0.326 -3.916 1.00 71.45 O ATOM 22 CB ASN A 1 -1.880 -2.251 -2.423 1.00 70.32 C ATOM 23 CG ASN A 1 -1.543 -3.559 -3.143 1.00 45.50 C ATOM 24 OD1 ASN A 1 -0.784 -3.594 -4.098 1.00 54.53 O ATOM 25 ND2 ASN A 1 -2.146 -4.628 -2.633 1.00 70.30 N ATOM 0 H ASN A 1 -1.627 0.296 -1.498 1.00 53.21 H new ATOM 0 HA ASN A 1 -0.020 -1.507 -3.210 1.00 31.21 H new ATOM 0 HB2 ASN A 1 -1.750 -2.379 -1.348 1.00 70.32 H new ATOM 0 HB3 ASN A 1 -2.927 -2.000 -2.589 1.00 70.32 H new ATOM 0 HD21 ASN A 1 -1.985 -5.548 -3.042 1.00 70.30 H new ATOM 0 HD22 ASN A 1 -2.770 -4.528 -1.832 1.00 70.30 H new ATOM 32 N GLN A 2 -1.205 -0.757 -5.292 1.00 33.21 N ATOM 33 CA GLN A 2 -1.774 -0.198 -6.506 1.00 72.04 C ATOM 34 C GLN A 2 -3.276 -0.486 -6.571 1.00 5.23 C ATOM 35 O GLN A 2 -3.684 -1.628 -6.776 1.00 11.34 O ATOM 36 CB GLN A 2 -1.059 -0.738 -7.746 1.00 62.32 C ATOM 37 CG GLN A 2 -1.255 0.195 -8.943 1.00 2.13 C ATOM 38 CD GLN A 2 -2.726 0.583 -9.100 1.00 55.10 C ATOM 39 OE1 GLN A 2 -3.589 -0.242 -9.353 1.00 11.11 O ATOM 40 NE2 GLN A 2 -2.964 1.881 -8.937 1.00 11.43 N ATOM 0 H GLN A 2 -0.422 -1.393 -5.442 1.00 33.21 H new ATOM 0 HA GLN A 2 -1.631 0.882 -6.486 1.00 72.04 H new ATOM 0 HB2 GLN A 2 0.005 -0.849 -7.537 1.00 62.32 H new ATOM 0 HB3 GLN A 2 -1.441 -1.730 -7.987 1.00 62.32 H new ATOM 0 HG2 GLN A 2 -0.650 1.092 -8.812 1.00 2.13 H new ATOM 0 HG3 GLN A 2 -0.905 -0.295 -9.852 1.00 2.13 H new ATOM 0 HE21 GLN A 2 -2.196 2.518 -8.727 1.00 11.43 H new ATOM 0 HE22 GLN A 2 -3.915 2.240 -9.022 1.00 11.43 H new ATOM 49 N GLU A 3 -4.056 0.570 -6.392 1.00 32.31 N ATOM 50 CA GLU A 3 -5.503 0.445 -6.427 1.00 74.20 C ATOM 51 C GLU A 3 -6.037 0.843 -7.804 1.00 53.24 C ATOM 52 O GLU A 3 -5.967 2.010 -8.187 1.00 73.04 O ATOM 53 CB GLU A 3 -6.153 1.282 -5.324 1.00 10.51 C ATOM 54 CG GLU A 3 -6.479 0.422 -4.102 1.00 30.33 C ATOM 55 CD GLU A 3 -7.502 1.115 -3.199 1.00 44.54 C ATOM 56 OE1 GLU A 3 -7.260 2.242 -2.740 1.00 61.24 O ATOM 57 OE2 GLU A 3 -8.581 0.443 -2.981 1.00 5.14 O ATOM 0 H GLU A 3 -3.713 1.516 -6.222 1.00 32.31 H new ATOM 0 HA GLU A 3 -5.762 -0.598 -6.246 1.00 74.20 H new ATOM 0 HB2 GLU A 3 -5.483 2.092 -5.035 1.00 10.51 H new ATOM 0 HB3 GLU A 3 -7.065 1.743 -5.702 1.00 10.51 H new ATOM 0 HG2 GLU A 3 -6.869 -0.543 -4.426 1.00 30.33 H new ATOM 0 HG3 GLU A 3 -5.567 0.224 -3.539 1.00 30.33 H new ATOM 65 N SER A 4 -6.559 -0.149 -8.511 1.00 42.42 N ATOM 66 CA SER A 4 -7.104 0.084 -9.838 1.00 33.23 C ATOM 67 C SER A 4 -8.631 0.167 -9.769 1.00 25.32 C ATOM 68 O SER A 4 -9.252 -0.466 -8.917 1.00 13.14 O ATOM 69 CB SER A 4 -6.676 -1.017 -10.810 1.00 61.00 C ATOM 70 OG SER A 4 -5.271 -1.251 -10.766 1.00 42.23 O ATOM 0 H SER A 4 -6.616 -1.115 -8.190 1.00 42.42 H new ATOM 0 HA SER A 4 -6.711 1.031 -10.208 1.00 33.23 H new ATOM 0 HB2 SER A 4 -7.205 -1.939 -10.569 1.00 61.00 H new ATOM 0 HB3 SER A 4 -6.966 -0.739 -11.823 1.00 61.00 H new ATOM 0 HG SER A 4 -4.857 -0.635 -10.127 1.00 42.23 H new ATOM 76 N VAL A 5 -9.190 0.952 -10.677 1.00 52.03 N ATOM 77 CA VAL A 5 -10.632 1.126 -10.730 1.00 62.13 C ATOM 78 C VAL A 5 -11.297 -0.234 -10.951 1.00 74.01 C ATOM 79 O VAL A 5 -10.801 -1.054 -11.722 1.00 54.14 O ATOM 80 CB VAL A 5 -10.996 2.151 -11.806 1.00 10.42 C ATOM 81 CG1 VAL A 5 -12.508 2.191 -12.036 1.00 11.12 C ATOM 82 CG2 VAL A 5 -10.460 3.538 -11.445 1.00 45.12 C ATOM 0 H VAL A 5 -8.671 1.475 -11.382 1.00 52.03 H new ATOM 0 HA VAL A 5 -11.004 1.521 -9.785 1.00 62.13 H new ATOM 0 HB VAL A 5 -10.523 1.841 -12.738 1.00 10.42 H new ATOM 0 HG11 VAL A 5 -12.740 2.928 -12.805 1.00 11.12 H new ATOM 0 HG12 VAL A 5 -12.853 1.209 -12.358 1.00 11.12 H new ATOM 0 HG13 VAL A 5 -13.010 2.465 -11.108 1.00 11.12 H new ATOM 0 HG21 VAL A 5 -10.732 4.248 -12.226 1.00 45.12 H new ATOM 0 HG22 VAL A 5 -10.891 3.859 -10.497 1.00 45.12 H new ATOM 0 HG23 VAL A 5 -9.375 3.496 -11.355 1.00 45.12 H new ATOM 92 N VAL A 6 -12.410 -0.431 -10.260 1.00 75.42 N ATOM 93 CA VAL A 6 -13.149 -1.678 -10.371 1.00 51.22 C ATOM 94 C VAL A 6 -14.645 -1.372 -10.471 1.00 21.04 C ATOM 95 O VAL A 6 -15.188 -0.638 -9.646 1.00 73.24 O ATOM 96 CB VAL A 6 -12.804 -2.597 -9.198 1.00 25.11 C ATOM 97 CG1 VAL A 6 -13.561 -3.923 -9.298 1.00 40.54 C ATOM 98 CG2 VAL A 6 -11.294 -2.833 -9.112 1.00 52.04 C ATOM 0 H VAL A 6 -12.818 0.251 -9.621 1.00 75.42 H new ATOM 0 HA VAL A 6 -12.865 -2.211 -11.278 1.00 51.22 H new ATOM 0 HB VAL A 6 -13.119 -2.100 -8.280 1.00 25.11 H new ATOM 0 HG11 VAL A 6 -13.297 -4.557 -8.452 1.00 40.54 H new ATOM 0 HG12 VAL A 6 -14.634 -3.731 -9.287 1.00 40.54 H new ATOM 0 HG13 VAL A 6 -13.292 -4.426 -10.227 1.00 40.54 H new ATOM 0 HG21 VAL A 6 -11.076 -3.490 -8.270 1.00 52.04 H new ATOM 0 HG22 VAL A 6 -10.945 -3.298 -10.034 1.00 52.04 H new ATOM 0 HG23 VAL A 6 -10.784 -1.880 -8.971 1.00 52.04 H new ATOM 108 N ALA A 7 -15.268 -1.950 -11.487 1.00 33.23 N ATOM 109 CA ALA A 7 -16.691 -1.749 -11.705 1.00 3.34 C ATOM 110 C ALA A 7 -17.447 -2.039 -10.407 1.00 11.43 C ATOM 111 O ALA A 7 -17.610 -3.196 -10.024 1.00 73.34 O ATOM 112 CB ALA A 7 -17.160 -2.632 -12.863 1.00 10.34 C ATOM 0 H ALA A 7 -14.814 -2.558 -12.169 1.00 33.23 H new ATOM 0 HA ALA A 7 -16.895 -0.714 -11.981 1.00 3.34 H new ATOM 0 HB1 ALA A 7 -18.227 -2.481 -13.026 1.00 10.34 H new ATOM 0 HB2 ALA A 7 -16.613 -2.366 -13.768 1.00 10.34 H new ATOM 0 HB3 ALA A 7 -16.974 -3.678 -12.621 1.00 10.34 H new ATOM 118 N ALA A 8 -17.889 -0.967 -9.765 1.00 22.12 N ATOM 119 CA ALA A 8 -18.624 -1.092 -8.518 1.00 12.13 C ATOM 120 C ALA A 8 -19.931 -1.845 -8.775 1.00 12.35 C ATOM 121 O ALA A 8 -20.462 -2.498 -7.878 1.00 10.14 O ATOM 122 CB ALA A 8 -18.859 0.298 -7.922 1.00 70.31 C ATOM 0 H ALA A 8 -17.752 -0.008 -10.085 1.00 22.12 H new ATOM 0 HA ALA A 8 -18.050 -1.666 -7.790 1.00 12.13 H new ATOM 0 HB1 ALA A 8 -19.410 0.204 -6.986 1.00 70.31 H new ATOM 0 HB2 ALA A 8 -17.900 0.779 -7.731 1.00 70.31 H new ATOM 0 HB3 ALA A 8 -19.435 0.902 -8.623 1.00 70.31 H new ATOM 128 N GLN A 9 -20.412 -1.728 -10.003 1.00 73.15 N ATOM 129 CA GLN A 9 -21.647 -2.390 -10.390 1.00 11.54 C ATOM 130 C GLN A 9 -21.611 -2.757 -11.874 1.00 64.04 C ATOM 131 O GLN A 9 -20.590 -2.577 -12.537 1.00 51.01 O ATOM 132 CB GLN A 9 -22.861 -1.514 -10.071 1.00 62.12 C ATOM 133 CG GLN A 9 -22.499 -0.421 -9.064 1.00 12.04 C ATOM 134 CD GLN A 9 -23.738 0.378 -8.653 1.00 41.14 C ATOM 135 OE1 GLN A 9 -24.127 0.420 -7.498 1.00 30.52 O ATOM 136 NE2 GLN A 9 -24.333 1.008 -9.662 1.00 14.42 N ATOM 0 H GLN A 9 -19.969 -1.185 -10.744 1.00 73.15 H new ATOM 0 HA GLN A 9 -21.740 -3.309 -9.811 1.00 11.54 H new ATOM 0 HB2 GLN A 9 -23.237 -1.059 -10.988 1.00 62.12 H new ATOM 0 HB3 GLN A 9 -23.664 -2.132 -9.669 1.00 62.12 H new ATOM 0 HG2 GLN A 9 -22.043 -0.871 -8.182 1.00 12.04 H new ATOM 0 HG3 GLN A 9 -21.758 0.249 -9.500 1.00 12.04 H new ATOM 0 HE21 GLN A 9 -23.954 0.930 -10.606 1.00 14.42 H new ATOM 0 HE22 GLN A 9 -25.168 1.569 -9.492 1.00 14.42 H new ATOM 145 N LEU A 10 -22.736 -3.265 -12.353 1.00 74.43 N ATOM 146 CA LEU A 10 -22.846 -3.660 -13.747 1.00 40.25 C ATOM 147 C LEU A 10 -22.884 -2.408 -14.626 1.00 0.42 C ATOM 148 O LEU A 10 -23.902 -1.721 -14.690 1.00 12.54 O ATOM 149 CB LEU A 10 -24.045 -4.589 -13.949 1.00 2.11 C ATOM 150 CG LEU A 10 -24.457 -4.847 -15.400 1.00 20.25 C ATOM 151 CD1 LEU A 10 -23.645 -5.994 -16.004 1.00 43.13 C ATOM 152 CD2 LEU A 10 -25.963 -5.093 -15.506 1.00 73.31 C ATOM 0 H LEU A 10 -23.581 -3.413 -11.800 1.00 74.43 H new ATOM 0 HA LEU A 10 -21.971 -4.236 -14.049 1.00 40.25 H new ATOM 0 HB2 LEU A 10 -23.820 -5.547 -13.480 1.00 2.11 H new ATOM 0 HB3 LEU A 10 -24.899 -4.168 -13.419 1.00 2.11 H new ATOM 0 HG LEU A 10 -24.235 -3.953 -15.983 1.00 20.25 H new ATOM 0 HD11 LEU A 10 -23.957 -6.157 -17.036 1.00 43.13 H new ATOM 0 HD12 LEU A 10 -22.585 -5.741 -15.981 1.00 43.13 H new ATOM 0 HD13 LEU A 10 -23.813 -6.903 -15.426 1.00 43.13 H new ATOM 0 HD21 LEU A 10 -26.230 -5.274 -16.547 1.00 73.31 H new ATOM 0 HD22 LEU A 10 -26.233 -5.962 -14.906 1.00 73.31 H new ATOM 0 HD23 LEU A 10 -26.501 -4.219 -15.140 1.00 73.31 H new ATOM 164 N ILE A 11 -21.762 -2.149 -15.281 1.00 2.11 N ATOM 165 CA ILE A 11 -21.654 -0.991 -16.153 1.00 20.44 C ATOM 166 C ILE A 11 -21.799 -1.440 -17.608 1.00 44.54 C ATOM 167 O ILE A 11 -20.912 -2.099 -18.150 1.00 14.24 O ATOM 168 CB ILE A 11 -20.359 -0.227 -15.870 1.00 52.23 C ATOM 169 CG1 ILE A 11 -20.351 0.330 -14.445 1.00 50.43 C ATOM 170 CG2 ILE A 11 -20.130 0.867 -16.915 1.00 4.41 C ATOM 171 CD1 ILE A 11 -18.923 0.436 -13.906 1.00 32.31 C ATOM 0 H ILE A 11 -20.919 -2.721 -15.226 1.00 2.11 H new ATOM 0 HA ILE A 11 -22.462 -0.286 -15.955 1.00 20.44 H new ATOM 0 HB ILE A 11 -19.526 -0.925 -15.946 1.00 52.23 H new ATOM 0 HG12 ILE A 11 -20.822 1.313 -14.432 1.00 50.43 H new ATOM 0 HG13 ILE A 11 -20.942 -0.315 -13.795 1.00 50.43 H new ATOM 0 HG21 ILE A 11 -19.203 1.395 -16.691 1.00 4.41 H new ATOM 0 HG22 ILE A 11 -20.061 0.416 -17.905 1.00 4.41 H new ATOM 0 HG23 ILE A 11 -20.963 1.570 -16.894 1.00 4.41 H new ATOM 0 HD11 ILE A 11 -18.946 0.835 -12.892 1.00 32.31 H new ATOM 0 HD12 ILE A 11 -18.463 -0.552 -13.897 1.00 32.31 H new ATOM 0 HD13 ILE A 11 -18.342 1.101 -14.544 1.00 32.31 H new ATOM 183 N PRO A 12 -22.952 -1.054 -18.217 1.00 12.34 N ATOM 184 CA PRO A 12 -23.224 -1.409 -19.599 1.00 53.40 C ATOM 185 C PRO A 12 -22.392 -0.555 -20.558 1.00 54.13 C ATOM 186 O PRO A 12 -21.751 0.408 -20.141 1.00 14.31 O ATOM 187 CB PRO A 12 -24.721 -1.207 -19.770 1.00 11.43 C ATOM 188 CG PRO A 12 -25.154 -0.308 -18.623 1.00 1.13 C ATOM 189 CD PRO A 12 -24.024 -0.272 -17.607 1.00 31.44 C ATOM 0 HA PRO A 12 -22.945 -2.437 -19.832 1.00 53.40 H new ATOM 0 HB2 PRO A 12 -24.946 -0.748 -20.733 1.00 11.43 H new ATOM 0 HB3 PRO A 12 -25.250 -2.160 -19.740 1.00 11.43 H new ATOM 0 HG2 PRO A 12 -25.373 0.696 -18.987 1.00 1.13 H new ATOM 0 HG3 PRO A 12 -26.067 -0.687 -18.165 1.00 1.13 H new ATOM 0 HD2 PRO A 12 -23.704 0.751 -17.407 1.00 31.44 H new ATOM 0 HD3 PRO A 12 -24.334 -0.701 -16.654 1.00 31.44 H new ATOM 197 N ILE A 13 -22.430 -0.939 -21.826 1.00 21.13 N ATOM 198 CA ILE A 13 -21.688 -0.221 -22.848 1.00 4.13 C ATOM 199 C ILE A 13 -22.346 1.139 -23.090 1.00 34.34 C ATOM 200 O ILE A 13 -23.569 1.261 -23.025 1.00 24.35 O ATOM 201 CB ILE A 13 -21.554 -1.073 -24.111 1.00 70.13 C ATOM 202 CG1 ILE A 13 -20.746 -0.340 -25.184 1.00 23.20 C ATOM 203 CG2 ILE A 13 -22.927 -1.509 -24.626 1.00 53.04 C ATOM 204 CD1 ILE A 13 -20.029 -1.331 -26.103 1.00 25.32 C ATOM 0 H ILE A 13 -22.963 -1.738 -22.168 1.00 21.13 H new ATOM 0 HA ILE A 13 -20.669 -0.027 -22.513 1.00 4.13 H new ATOM 0 HB ILE A 13 -21.003 -1.978 -23.855 1.00 70.13 H new ATOM 0 HG12 ILE A 13 -21.408 0.294 -25.773 1.00 23.20 H new ATOM 0 HG13 ILE A 13 -20.016 0.316 -24.710 1.00 23.20 H new ATOM 0 HG21 ILE A 13 -22.803 -2.113 -25.525 1.00 53.04 H new ATOM 0 HG22 ILE A 13 -23.433 -2.097 -23.860 1.00 53.04 H new ATOM 0 HG23 ILE A 13 -23.524 -0.628 -24.861 1.00 53.04 H new ATOM 0 HD11 ILE A 13 -19.462 -0.784 -26.856 1.00 25.32 H new ATOM 0 HD12 ILE A 13 -19.349 -1.947 -25.514 1.00 25.32 H new ATOM 0 HD13 ILE A 13 -20.764 -1.969 -26.594 1.00 25.32 H new ATOM 216 N ASN A 14 -21.507 2.127 -23.364 1.00 32.43 N ATOM 217 CA ASN A 14 -21.993 3.473 -23.616 1.00 23.23 C ATOM 218 C ASN A 14 -22.729 3.985 -22.376 1.00 72.03 C ATOM 219 O ASN A 14 -23.724 4.700 -22.492 1.00 23.51 O ATOM 220 CB ASN A 14 -22.973 3.494 -24.790 1.00 64.04 C ATOM 221 CG ASN A 14 -22.227 3.543 -26.126 1.00 30.35 C ATOM 222 OD1 ASN A 14 -22.585 4.267 -27.040 1.00 4.23 O ATOM 223 ND2 ASN A 14 -21.174 2.733 -26.187 1.00 4.23 N ATOM 0 H ASN A 14 -20.494 2.022 -23.417 1.00 32.43 H new ATOM 0 HA ASN A 14 -21.135 4.103 -23.852 1.00 23.23 H new ATOM 0 HB2 ASN A 14 -23.607 2.608 -24.755 1.00 64.04 H new ATOM 0 HB3 ASN A 14 -23.630 4.359 -24.704 1.00 64.04 H new ATOM 0 HD21 ASN A 14 -20.611 2.692 -27.036 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -20.930 2.153 -25.384 1.00 4.23 H new ATOM 230 N THR A 15 -22.212 3.600 -21.219 1.00 35.42 N ATOM 231 CA THR A 15 -22.809 4.011 -19.959 1.00 64.11 C ATOM 232 C THR A 15 -21.889 4.991 -19.228 1.00 64.15 C ATOM 233 O THR A 15 -20.819 4.609 -18.755 1.00 53.03 O ATOM 234 CB THR A 15 -23.120 2.751 -19.149 1.00 64.44 C ATOM 235 OG1 THR A 15 -23.928 1.967 -20.023 1.00 13.50 O ATOM 236 CG2 THR A 15 -24.030 3.033 -17.952 1.00 43.24 C ATOM 0 H THR A 15 -21.387 3.008 -21.127 1.00 35.42 H new ATOM 0 HA THR A 15 -23.743 4.549 -20.121 1.00 64.11 H new ATOM 0 HB THR A 15 -22.189 2.306 -18.799 1.00 64.44 H new ATOM 0 HG1 THR A 15 -24.740 2.465 -20.253 1.00 13.50 H new ATOM 0 HG21 THR A 15 -24.219 2.105 -17.412 1.00 43.24 H new ATOM 0 HG22 THR A 15 -23.545 3.748 -17.287 1.00 43.24 H new ATOM 0 HG23 THR A 15 -24.975 3.447 -18.303 1.00 43.24 H new ATOM 244 N ALA A 16 -22.338 6.235 -19.159 1.00 40.34 N ATOM 245 CA ALA A 16 -21.568 7.273 -18.494 1.00 54.14 C ATOM 246 C ALA A 16 -21.155 6.784 -17.105 1.00 11.22 C ATOM 247 O ALA A 16 -21.997 6.629 -16.222 1.00 30.13 O ATOM 248 CB ALA A 16 -22.391 8.562 -18.438 1.00 41.03 C ATOM 0 H ALA A 16 -23.225 6.548 -19.553 1.00 40.34 H new ATOM 0 HA ALA A 16 -20.657 7.492 -19.051 1.00 54.14 H new ATOM 0 HB1 ALA A 16 -21.814 9.341 -17.939 1.00 41.03 H new ATOM 0 HB2 ALA A 16 -22.634 8.883 -19.451 1.00 41.03 H new ATOM 0 HB3 ALA A 16 -23.312 8.382 -17.884 1.00 41.03 H new ATOM 254 N LEU A 17 -19.859 6.555 -16.954 1.00 42.35 N ATOM 255 CA LEU A 17 -19.324 6.087 -15.687 1.00 45.23 C ATOM 256 C LEU A 17 -19.689 7.083 -14.585 1.00 40.41 C ATOM 257 O LEU A 17 -19.826 8.278 -14.844 1.00 11.03 O ATOM 258 CB LEU A 17 -17.821 5.824 -15.805 1.00 21.11 C ATOM 259 CG LEU A 17 -17.412 4.671 -16.723 1.00 61.43 C ATOM 260 CD1 LEU A 17 -15.921 4.740 -17.059 1.00 61.43 C ATOM 261 CD2 LEU A 17 -17.801 3.321 -16.116 1.00 4.45 C ATOM 0 H LEU A 17 -19.163 6.685 -17.689 1.00 42.35 H new ATOM 0 HA LEU A 17 -19.771 5.131 -15.414 1.00 45.23 H new ATOM 0 HB2 LEU A 17 -17.340 6.735 -16.162 1.00 21.11 H new ATOM 0 HB3 LEU A 17 -17.428 5.625 -14.808 1.00 21.11 H new ATOM 0 HG LEU A 17 -17.959 4.771 -17.661 1.00 61.43 H new ATOM 0 HD11 LEU A 17 -15.657 3.909 -17.713 1.00 61.43 H new ATOM 0 HD12 LEU A 17 -15.705 5.682 -17.564 1.00 61.43 H new ATOM 0 HD13 LEU A 17 -15.338 4.679 -16.140 1.00 61.43 H new ATOM 0 HD21 LEU A 17 -17.499 2.519 -16.789 1.00 4.45 H new ATOM 0 HD22 LEU A 17 -17.301 3.196 -15.155 1.00 4.45 H new ATOM 0 HD23 LEU A 17 -18.881 3.285 -15.971 1.00 4.45 H new ATOM 273 N THR A 18 -19.836 6.555 -13.379 1.00 73.11 N ATOM 274 CA THR A 18 -20.183 7.383 -12.236 1.00 71.25 C ATOM 275 C THR A 18 -19.466 6.885 -10.980 1.00 11.00 C ATOM 276 O THR A 18 -19.006 5.745 -10.934 1.00 1.31 O ATOM 277 CB THR A 18 -21.707 7.391 -12.104 1.00 33.44 C ATOM 278 OG1 THR A 18 -22.091 6.059 -12.433 1.00 73.44 O ATOM 279 CG2 THR A 18 -22.384 8.249 -13.174 1.00 11.31 C ATOM 0 H THR A 18 -19.721 5.564 -13.168 1.00 73.11 H new ATOM 0 HA THR A 18 -19.849 8.411 -12.376 1.00 71.25 H new ATOM 0 HB THR A 18 -21.983 7.759 -11.116 1.00 33.44 H new ATOM 0 HG1 THR A 18 -23.069 5.995 -12.449 1.00 73.44 H new ATOM 0 HG21 THR A 18 -23.465 8.220 -13.034 1.00 11.31 H new ATOM 0 HG22 THR A 18 -22.035 9.278 -13.090 1.00 11.31 H new ATOM 0 HG23 THR A 18 -22.135 7.862 -14.162 1.00 11.31 H new ATOM 287 N LEU A 19 -19.394 7.764 -9.991 1.00 43.14 N ATOM 288 CA LEU A 19 -18.741 7.428 -8.738 1.00 5.24 C ATOM 289 C LEU A 19 -19.529 6.320 -8.037 1.00 75.04 C ATOM 290 O LEU A 19 -19.010 5.653 -7.144 1.00 71.20 O ATOM 291 CB LEU A 19 -18.548 8.681 -7.881 1.00 51.42 C ATOM 292 CG LEU A 19 -17.529 8.568 -6.745 1.00 74.43 C ATOM 293 CD1 LEU A 19 -16.263 7.849 -7.215 1.00 31.25 C ATOM 294 CD2 LEU A 19 -17.220 9.941 -6.146 1.00 53.24 C ATOM 0 H LEU A 19 -19.777 8.708 -10.032 1.00 43.14 H new ATOM 0 HA LEU A 19 -17.740 7.039 -8.924 1.00 5.24 H new ATOM 0 HB2 LEU A 19 -18.245 9.500 -8.534 1.00 51.42 H new ATOM 0 HB3 LEU A 19 -19.512 8.955 -7.452 1.00 51.42 H new ATOM 0 HG LEU A 19 -17.968 7.963 -5.951 1.00 74.43 H new ATOM 0 HD11 LEU A 19 -15.555 7.782 -6.389 1.00 31.25 H new ATOM 0 HD12 LEU A 19 -16.519 6.846 -7.556 1.00 31.25 H new ATOM 0 HD13 LEU A 19 -15.811 8.406 -8.036 1.00 31.25 H new ATOM 0 HD21 LEU A 19 -16.493 9.832 -5.341 1.00 53.24 H new ATOM 0 HD22 LEU A 19 -16.810 10.591 -6.919 1.00 53.24 H new ATOM 0 HD23 LEU A 19 -18.136 10.380 -5.751 1.00 53.24 H new ATOM 306 N VAL A 20 -20.771 6.158 -8.470 1.00 33.13 N ATOM 307 CA VAL A 20 -21.637 5.142 -7.895 1.00 51.05 C ATOM 308 C VAL A 20 -21.543 3.865 -8.733 1.00 51.22 C ATOM 309 O VAL A 20 -22.215 2.877 -8.442 1.00 64.40 O ATOM 310 CB VAL A 20 -23.066 5.677 -7.779 1.00 61.11 C ATOM 311 CG1 VAL A 20 -23.068 7.151 -7.371 1.00 3.33 C ATOM 312 CG2 VAL A 20 -23.837 5.468 -9.084 1.00 14.23 C ATOM 0 H VAL A 20 -21.198 6.713 -9.212 1.00 33.13 H new ATOM 0 HA VAL A 20 -21.315 4.892 -6.884 1.00 51.05 H new ATOM 0 HB VAL A 20 -23.573 5.112 -6.996 1.00 61.11 H new ATOM 0 HG11 VAL A 20 -24.096 7.506 -7.296 1.00 3.33 H new ATOM 0 HG12 VAL A 20 -22.574 7.262 -6.406 1.00 3.33 H new ATOM 0 HG13 VAL A 20 -22.536 7.737 -8.120 1.00 3.33 H new ATOM 0 HG21 VAL A 20 -24.849 5.857 -8.975 1.00 14.23 H new ATOM 0 HG22 VAL A 20 -23.331 5.994 -9.894 1.00 14.23 H new ATOM 0 HG23 VAL A 20 -23.880 4.404 -9.315 1.00 14.23 H new ATOM 322 N MET A 21 -20.705 3.928 -9.757 1.00 64.30 N ATOM 323 CA MET A 21 -20.514 2.789 -10.639 1.00 71.21 C ATOM 324 C MET A 21 -19.034 2.412 -10.737 1.00 13.25 C ATOM 325 O MET A 21 -18.662 1.540 -11.520 1.00 53.33 O ATOM 326 CB MET A 21 -21.048 3.127 -12.032 1.00 42.14 C ATOM 327 CG MET A 21 -22.577 3.175 -12.037 1.00 11.20 C ATOM 328 SD MET A 21 -23.193 2.843 -13.679 1.00 34.12 S ATOM 329 CE MET A 21 -22.484 4.223 -14.561 1.00 53.03 C ATOM 0 H MET A 21 -20.150 4.750 -9.996 1.00 64.30 H new ATOM 0 HA MET A 21 -21.059 1.940 -10.227 1.00 71.21 H new ATOM 0 HB2 MET A 21 -20.649 4.089 -12.354 1.00 42.14 H new ATOM 0 HB3 MET A 21 -20.702 2.382 -12.749 1.00 42.14 H new ATOM 0 HG2 MET A 21 -22.974 2.441 -11.335 1.00 11.20 H new ATOM 0 HG3 MET A 21 -22.919 4.154 -11.702 1.00 11.20 H new ATOM 0 HE1 MET A 21 -22.393 3.972 -15.618 1.00 53.03 H new ATOM 0 HE2 MET A 21 -23.128 5.096 -14.450 1.00 53.03 H new ATOM 0 HE3 MET A 21 -21.497 4.446 -14.155 1.00 53.03 H new ATOM 339 N MET A 22 -18.230 3.088 -9.929 1.00 52.12 N ATOM 340 CA MET A 22 -16.799 2.835 -9.915 1.00 13.44 C ATOM 341 C MET A 22 -16.272 2.750 -8.481 1.00 33.33 C ATOM 342 O MET A 22 -16.888 3.279 -7.557 1.00 30.34 O ATOM 343 CB MET A 22 -16.075 3.959 -10.659 1.00 23.23 C ATOM 344 CG MET A 22 -16.198 3.782 -12.173 1.00 74.25 C ATOM 345 SD MET A 22 -15.041 4.853 -13.010 1.00 13.12 S ATOM 346 CE MET A 22 -15.754 6.443 -12.621 1.00 72.22 C ATOM 0 H MET A 22 -18.542 3.810 -9.280 1.00 52.12 H new ATOM 0 HA MET A 22 -16.612 1.881 -10.408 1.00 13.44 H new ATOM 0 HB2 MET A 22 -16.494 4.922 -10.367 1.00 23.23 H new ATOM 0 HB3 MET A 22 -15.023 3.969 -10.375 1.00 23.23 H new ATOM 0 HG2 MET A 22 -16.005 2.744 -12.443 1.00 74.25 H new ATOM 0 HG3 MET A 22 -17.215 4.011 -12.493 1.00 74.25 H new ATOM 0 HE1 MET A 22 -15.742 7.074 -13.510 1.00 72.22 H new ATOM 0 HE2 MET A 22 -16.782 6.308 -12.285 1.00 72.22 H new ATOM 0 HE3 MET A 22 -15.173 6.918 -11.830 1.00 72.22 H new ATOM 356 N THR A 23 -15.138 2.079 -8.340 1.00 51.42 N ATOM 357 CA THR A 23 -14.521 1.918 -7.035 1.00 32.34 C ATOM 358 C THR A 23 -13.050 1.525 -7.185 1.00 33.42 C ATOM 359 O THR A 23 -12.503 1.564 -8.286 1.00 21.53 O ATOM 360 CB THR A 23 -15.345 0.898 -6.245 1.00 50.25 C ATOM 361 OG1 THR A 23 -14.683 0.816 -4.987 1.00 4.24 O ATOM 362 CG2 THR A 23 -15.232 -0.516 -6.819 1.00 2.12 C ATOM 0 H THR A 23 -14.631 1.641 -9.109 1.00 51.42 H new ATOM 0 HA THR A 23 -14.519 2.856 -6.480 1.00 32.34 H new ATOM 0 HB THR A 23 -16.391 1.204 -6.238 1.00 50.25 H new ATOM 0 HG1 THR A 23 -14.312 -0.084 -4.870 1.00 4.24 H new ATOM 0 HG21 THR A 23 -15.835 -1.200 -6.222 1.00 2.12 H new ATOM 0 HG22 THR A 23 -15.590 -0.520 -7.849 1.00 2.12 H new ATOM 0 HG23 THR A 23 -14.190 -0.836 -6.796 1.00 2.12 H new ATOM 370 N THR A 24 -12.452 1.155 -6.062 1.00 31.11 N ATOM 371 CA THR A 24 -11.055 0.755 -6.055 1.00 11.13 C ATOM 372 C THR A 24 -10.901 -0.633 -5.430 1.00 1.22 C ATOM 373 O THR A 24 -11.697 -1.027 -4.579 1.00 54.51 O ATOM 374 CB THR A 24 -10.257 1.840 -5.330 1.00 5.14 C ATOM 375 OG1 THR A 24 -10.606 1.670 -3.959 1.00 4.34 O ATOM 376 CG2 THR A 24 -10.745 3.250 -5.666 1.00 40.55 C ATOM 0 H THR A 24 -12.909 1.124 -5.151 1.00 31.11 H new ATOM 0 HA THR A 24 -10.664 0.666 -7.068 1.00 11.13 H new ATOM 0 HB THR A 24 -9.203 1.749 -5.591 1.00 5.14 H new ATOM 0 HG1 THR A 24 -10.002 1.018 -3.546 1.00 4.34 H new ATOM 0 HG21 THR A 24 -10.145 3.981 -5.125 1.00 40.55 H new ATOM 0 HG22 THR A 24 -10.648 3.423 -6.738 1.00 40.55 H new ATOM 0 HG23 THR A 24 -11.790 3.352 -5.375 1.00 40.55 H new ATOM 384 N ARG A 25 -9.871 -1.336 -5.876 1.00 62.41 N ATOM 385 CA ARG A 25 -9.602 -2.672 -5.371 1.00 61.23 C ATOM 386 C ARG A 25 -8.374 -3.265 -6.066 1.00 11.24 C ATOM 387 O ARG A 25 -8.285 -3.255 -7.292 1.00 72.14 O ATOM 388 CB ARG A 25 -10.801 -3.597 -5.594 1.00 3.45 C ATOM 389 CG ARG A 25 -11.005 -4.527 -4.396 1.00 64.34 C ATOM 390 CD ARG A 25 -10.352 -5.889 -4.643 1.00 60.01 C ATOM 391 NE ARG A 25 -10.993 -6.918 -3.795 1.00 24.55 N ATOM 392 CZ ARG A 25 -10.386 -8.058 -3.400 1.00 34.33 C ATOM 393 NH1 ARG A 25 -9.117 -8.325 -3.774 1.00 51.44 N ATOM 394 NH2 ARG A 25 -11.054 -8.909 -2.642 1.00 4.42 N ATOM 0 H ARG A 25 -9.212 -1.006 -6.582 1.00 62.41 H new ATOM 0 HA ARG A 25 -9.414 -2.590 -4.300 1.00 61.23 H new ATOM 0 HB2 ARG A 25 -11.700 -3.001 -5.754 1.00 3.45 H new ATOM 0 HB3 ARG A 25 -10.646 -4.189 -6.496 1.00 3.45 H new ATOM 0 HG2 ARG A 25 -10.580 -4.072 -3.501 1.00 64.34 H new ATOM 0 HG3 ARG A 25 -12.071 -4.659 -4.210 1.00 64.34 H new ATOM 0 HD2 ARG A 25 -10.446 -6.162 -5.694 1.00 60.01 H new ATOM 0 HD3 ARG A 25 -9.286 -5.836 -4.422 1.00 60.01 H new ATOM 0 HE ARG A 25 -11.953 -6.756 -3.490 1.00 24.55 H new ATOM 0 HH11 ARG A 25 -8.608 -7.663 -4.360 1.00 51.44 H new ATOM 0 HH12 ARG A 25 -8.667 -9.189 -3.471 1.00 51.44 H new ATOM 0 HH21 ARG A 25 -12.013 -8.700 -2.364 1.00 4.42 H new ATOM 0 HH22 ARG A 25 -10.611 -9.775 -2.335 1.00 4.42 H new ATOM 407 N VAL A 26 -7.458 -3.767 -5.251 1.00 2.42 N ATOM 408 CA VAL A 26 -6.239 -4.362 -5.771 1.00 60.43 C ATOM 409 C VAL A 26 -6.587 -5.645 -6.529 1.00 22.42 C ATOM 410 O VAL A 26 -6.621 -6.726 -5.943 1.00 71.40 O ATOM 411 CB VAL A 26 -5.241 -4.591 -4.634 1.00 73.42 C ATOM 412 CG1 VAL A 26 -3.825 -4.786 -5.178 1.00 43.25 C ATOM 413 CG2 VAL A 26 -5.288 -3.443 -3.624 1.00 41.24 C ATOM 0 H VAL A 26 -7.536 -3.774 -4.234 1.00 2.42 H new ATOM 0 HA VAL A 26 -5.756 -3.687 -6.478 1.00 60.43 H new ATOM 0 HB VAL A 26 -5.528 -5.505 -4.115 1.00 73.42 H new ATOM 0 HG11 VAL A 26 -3.136 -4.947 -4.349 1.00 43.25 H new ATOM 0 HG12 VAL A 26 -3.805 -5.652 -5.839 1.00 43.25 H new ATOM 0 HG13 VAL A 26 -3.523 -3.898 -5.734 1.00 43.25 H new ATOM 0 HG21 VAL A 26 -4.569 -3.631 -2.826 1.00 41.24 H new ATOM 0 HG22 VAL A 26 -5.039 -2.507 -4.125 1.00 41.24 H new ATOM 0 HG23 VAL A 26 -6.290 -3.372 -3.200 1.00 41.24 H new ATOM 423 N VAL A 27 -6.836 -5.483 -7.820 1.00 30.31 N ATOM 424 CA VAL A 27 -7.180 -6.615 -8.664 1.00 30.23 C ATOM 425 C VAL A 27 -6.010 -6.922 -9.601 1.00 2.45 C ATOM 426 O VAL A 27 -5.102 -6.106 -9.753 1.00 1.21 O ATOM 427 CB VAL A 27 -8.486 -6.334 -9.410 1.00 44.32 C ATOM 428 CG1 VAL A 27 -9.597 -5.934 -8.438 1.00 55.34 C ATOM 429 CG2 VAL A 27 -8.283 -5.262 -10.483 1.00 75.24 C ATOM 0 H VAL A 27 -6.806 -4.585 -8.302 1.00 30.31 H new ATOM 0 HA VAL A 27 -7.353 -7.504 -8.058 1.00 30.23 H new ATOM 0 HB VAL A 27 -8.793 -7.254 -9.908 1.00 44.32 H new ATOM 0 HG11 VAL A 27 -10.514 -5.740 -8.994 1.00 55.34 H new ATOM 0 HG12 VAL A 27 -9.768 -6.743 -7.728 1.00 55.34 H new ATOM 0 HG13 VAL A 27 -9.302 -5.034 -7.899 1.00 55.34 H new ATOM 0 HG21 VAL A 27 -9.226 -5.080 -10.999 1.00 75.24 H new ATOM 0 HG22 VAL A 27 -7.942 -4.339 -10.015 1.00 75.24 H new ATOM 0 HG23 VAL A 27 -7.536 -5.602 -11.201 1.00 75.24 H new ATOM 439 N SER A 28 -6.069 -8.100 -10.204 1.00 13.42 N ATOM 440 CA SER A 28 -5.026 -8.524 -11.122 1.00 3.13 C ATOM 441 C SER A 28 -5.649 -9.184 -12.353 1.00 62.03 C ATOM 442 O SER A 28 -6.498 -10.065 -12.227 1.00 52.43 O ATOM 443 CB SER A 28 -4.051 -9.486 -10.440 1.00 45.21 C ATOM 444 OG SER A 28 -2.824 -9.600 -11.157 1.00 54.12 O ATOM 0 H SER A 28 -6.823 -8.774 -10.075 1.00 13.42 H new ATOM 0 HA SER A 28 -4.466 -7.643 -11.435 1.00 3.13 H new ATOM 0 HB2 SER A 28 -3.848 -9.139 -9.427 1.00 45.21 H new ATOM 0 HB3 SER A 28 -4.513 -10.469 -10.353 1.00 45.21 H new ATOM 0 HG SER A 28 -2.228 -10.221 -10.689 1.00 54.12 H new ATOM 450 N PRO A 29 -5.190 -8.721 -13.547 1.00 75.12 N ATOM 451 CA PRO A 29 -4.183 -7.676 -13.608 1.00 10.24 C ATOM 452 C PRO A 29 -4.788 -6.311 -13.271 1.00 62.23 C ATOM 453 O PRO A 29 -6.006 -6.142 -13.307 1.00 24.23 O ATOM 454 CB PRO A 29 -3.626 -7.747 -15.020 1.00 75.13 C ATOM 455 CG PRO A 29 -4.657 -8.511 -15.836 1.00 40.42 C ATOM 456 CD PRO A 29 -5.618 -9.179 -14.866 1.00 44.31 C ATOM 0 HA PRO A 29 -3.389 -7.814 -12.874 1.00 10.24 H new ATOM 0 HB2 PRO A 29 -3.467 -6.749 -15.428 1.00 75.13 H new ATOM 0 HB3 PRO A 29 -2.662 -8.255 -15.035 1.00 75.13 H new ATOM 0 HG2 PRO A 29 -5.194 -7.835 -16.501 1.00 40.42 H new ATOM 0 HG3 PRO A 29 -4.170 -9.256 -16.465 1.00 40.42 H new ATOM 0 HD2 PRO A 29 -6.650 -8.892 -15.070 1.00 44.31 H new ATOM 0 HD3 PRO A 29 -5.568 -10.265 -14.944 1.00 44.31 H new ATOM 464 N THR A 30 -3.909 -5.372 -12.953 1.00 22.41 N ATOM 465 CA THR A 30 -4.341 -4.028 -12.611 1.00 2.13 C ATOM 466 C THR A 30 -4.709 -3.248 -13.874 1.00 62.25 C ATOM 467 O THR A 30 -4.141 -3.482 -14.940 1.00 62.21 O ATOM 468 CB THR A 30 -3.229 -3.368 -11.792 1.00 34.32 C ATOM 469 OG1 THR A 30 -2.027 -3.860 -12.378 1.00 74.41 O ATOM 470 CG2 THR A 30 -3.179 -3.883 -10.352 1.00 11.43 C ATOM 0 H THR A 30 -2.900 -5.516 -12.925 1.00 22.41 H new ATOM 0 HA THR A 30 -5.246 -4.046 -12.003 1.00 2.13 H new ATOM 0 HB THR A 30 -3.374 -2.288 -11.787 1.00 34.32 H new ATOM 0 HG1 THR A 30 -1.255 -3.481 -11.908 1.00 74.41 H new ATOM 0 HG21 THR A 30 -2.373 -3.383 -9.815 1.00 11.43 H new ATOM 0 HG22 THR A 30 -4.128 -3.675 -9.858 1.00 11.43 H new ATOM 0 HG23 THR A 30 -3.000 -4.958 -10.356 1.00 11.43 H new ATOM 478 N GLY A 31 -5.657 -2.337 -13.714 1.00 33.21 N ATOM 479 CA GLY A 31 -6.108 -1.521 -14.829 1.00 30.52 C ATOM 480 C GLY A 31 -6.037 -0.033 -14.483 1.00 43.30 C ATOM 481 O GLY A 31 -5.120 0.404 -13.788 1.00 72.35 O ATOM 0 H GLY A 31 -6.126 -2.145 -12.829 1.00 33.21 H new ATOM 0 HA2 GLY A 31 -5.492 -1.724 -15.705 1.00 30.52 H new ATOM 0 HA3 GLY A 31 -7.132 -1.789 -15.090 1.00 30.52 H new ATOM 485 N ILE A 32 -7.016 0.706 -14.984 1.00 32.14 N ATOM 486 CA ILE A 32 -7.076 2.136 -14.736 1.00 51.53 C ATOM 487 C ILE A 32 -6.770 2.408 -13.262 1.00 41.21 C ATOM 488 O ILE A 32 -7.219 1.672 -12.385 1.00 52.12 O ATOM 489 CB ILE A 32 -8.419 2.705 -15.200 1.00 63.34 C ATOM 490 CG1 ILE A 32 -8.536 2.658 -16.725 1.00 51.33 C ATOM 491 CG2 ILE A 32 -8.636 4.116 -14.651 1.00 41.24 C ATOM 492 CD1 ILE A 32 -9.996 2.778 -17.167 1.00 32.23 C ATOM 0 H ILE A 32 -7.774 0.341 -15.561 1.00 32.14 H new ATOM 0 HA ILE A 32 -6.317 2.655 -15.321 1.00 51.53 H new ATOM 0 HB ILE A 32 -9.214 2.078 -14.797 1.00 63.34 H new ATOM 0 HG12 ILE A 32 -7.952 3.467 -17.163 1.00 51.33 H new ATOM 0 HG13 ILE A 32 -8.115 1.724 -17.097 1.00 51.33 H new ATOM 0 HG21 ILE A 32 -9.597 4.497 -14.996 1.00 41.24 H new ATOM 0 HG22 ILE A 32 -8.626 4.088 -13.561 1.00 41.24 H new ATOM 0 HG23 ILE A 32 -7.839 4.770 -15.004 1.00 41.24 H new ATOM 0 HD11 ILE A 32 -10.051 2.742 -18.255 1.00 32.23 H new ATOM 0 HD12 ILE A 32 -10.572 1.954 -16.747 1.00 32.23 H new ATOM 0 HD13 ILE A 32 -10.406 3.724 -16.814 1.00 32.23 H new ATOM 504 N PRO A 33 -5.987 3.495 -13.029 1.00 2.34 N ATOM 505 CA PRO A 33 -5.615 3.873 -11.676 1.00 12.42 C ATOM 506 C PRO A 33 -6.793 4.521 -10.944 1.00 43.25 C ATOM 507 O PRO A 33 -7.582 5.245 -11.550 1.00 2.01 O ATOM 508 CB PRO A 33 -4.430 4.811 -11.841 1.00 31.43 C ATOM 509 CG PRO A 33 -4.474 5.289 -13.283 1.00 32.41 C ATOM 510 CD PRO A 33 -5.436 4.390 -14.043 1.00 15.15 C ATOM 0 HA PRO A 33 -5.345 3.016 -11.059 1.00 12.42 H new ATOM 0 HB2 PRO A 33 -4.497 5.651 -11.149 1.00 31.43 H new ATOM 0 HB3 PRO A 33 -3.493 4.297 -11.628 1.00 31.43 H new ATOM 0 HG2 PRO A 33 -4.803 6.327 -13.331 1.00 32.41 H new ATOM 0 HG3 PRO A 33 -3.480 5.248 -13.729 1.00 32.41 H new ATOM 0 HD2 PRO A 33 -6.221 4.970 -14.528 1.00 15.15 H new ATOM 0 HD3 PRO A 33 -4.922 3.833 -14.826 1.00 15.15 H new ATOM 518 N ALA A 34 -6.874 4.238 -9.653 1.00 21.12 N ATOM 519 CA ALA A 34 -7.942 4.784 -8.832 1.00 44.14 C ATOM 520 C ALA A 34 -7.867 6.312 -8.857 1.00 0.02 C ATOM 521 O ALA A 34 -8.847 6.990 -8.551 1.00 63.10 O ATOM 522 CB ALA A 34 -7.837 4.218 -7.415 1.00 32.21 C ATOM 0 H ALA A 34 -6.217 3.637 -9.154 1.00 21.12 H new ATOM 0 HA ALA A 34 -8.916 4.495 -9.227 1.00 44.14 H new ATOM 0 HB1 ALA A 34 -8.638 4.627 -6.799 1.00 32.21 H new ATOM 0 HB2 ALA A 34 -7.925 3.132 -7.450 1.00 32.21 H new ATOM 0 HB3 ALA A 34 -6.873 4.491 -6.985 1.00 32.21 H new ATOM 528 N GLU A 35 -6.695 6.810 -9.224 1.00 31.54 N ATOM 529 CA GLU A 35 -6.480 8.245 -9.292 1.00 23.11 C ATOM 530 C GLU A 35 -7.216 8.835 -10.496 1.00 52.40 C ATOM 531 O GLU A 35 -7.216 10.049 -10.694 1.00 12.51 O ATOM 532 CB GLU A 35 -4.986 8.573 -9.348 1.00 15.34 C ATOM 533 CG GLU A 35 -4.172 7.558 -8.544 1.00 5.24 C ATOM 534 CD GLU A 35 -3.049 8.249 -7.767 1.00 24.42 C ATOM 535 OE1 GLU A 35 -1.964 8.482 -8.321 1.00 21.42 O ATOM 536 OE2 GLU A 35 -3.334 8.547 -6.545 1.00 33.43 O ATOM 0 H GLU A 35 -5.885 6.245 -9.477 1.00 31.54 H new ATOM 0 HA GLU A 35 -6.884 8.697 -8.386 1.00 23.11 H new ATOM 0 HB2 GLU A 35 -4.649 8.576 -10.385 1.00 15.34 H new ATOM 0 HB3 GLU A 35 -4.815 9.575 -8.955 1.00 15.34 H new ATOM 0 HG2 GLU A 35 -4.826 7.029 -7.851 1.00 5.24 H new ATOM 0 HG3 GLU A 35 -3.748 6.812 -9.216 1.00 5.24 H new ATOM 544 N ASP A 36 -7.826 7.949 -11.269 1.00 51.12 N ATOM 545 CA ASP A 36 -8.565 8.367 -12.449 1.00 3.45 C ATOM 546 C ASP A 36 -10.064 8.204 -12.191 1.00 1.15 C ATOM 547 O ASP A 36 -10.878 8.402 -13.091 1.00 43.43 O ATOM 548 CB ASP A 36 -8.198 7.510 -13.661 1.00 64.12 C ATOM 549 CG ASP A 36 -6.738 7.614 -14.109 1.00 31.24 C ATOM 550 OD1 ASP A 36 -5.902 8.221 -13.424 1.00 2.34 O ATOM 551 OD2 ASP A 36 -6.468 7.030 -15.227 1.00 1.40 O ATOM 0 H ASP A 36 -7.824 6.943 -11.102 1.00 51.12 H new ATOM 0 HA ASP A 36 -8.313 9.407 -12.654 1.00 3.45 H new ATOM 0 HB2 ASP A 36 -8.418 6.468 -13.430 1.00 64.12 H new ATOM 0 HB3 ASP A 36 -8.839 7.794 -14.495 1.00 64.12 H new ATOM 557 N ILE A 37 -10.384 7.844 -10.956 1.00 43.22 N ATOM 558 CA ILE A 37 -11.771 7.652 -10.568 1.00 62.03 C ATOM 559 C ILE A 37 -12.590 8.871 -10.998 1.00 64.21 C ATOM 560 O ILE A 37 -13.639 8.729 -11.623 1.00 74.11 O ATOM 561 CB ILE A 37 -11.871 7.340 -9.074 1.00 22.32 C ATOM 562 CG1 ILE A 37 -11.904 5.830 -8.830 1.00 64.52 C ATOM 563 CG2 ILE A 37 -13.072 8.048 -8.445 1.00 35.00 C ATOM 564 CD1 ILE A 37 -12.557 5.505 -7.485 1.00 52.24 C ATOM 0 H ILE A 37 -9.706 7.680 -10.211 1.00 43.22 H new ATOM 0 HA ILE A 37 -12.193 6.787 -11.080 1.00 62.03 H new ATOM 0 HB ILE A 37 -10.977 7.726 -8.584 1.00 22.32 H new ATOM 0 HG12 ILE A 37 -12.455 5.340 -9.633 1.00 64.52 H new ATOM 0 HG13 ILE A 37 -10.889 5.433 -8.851 1.00 64.52 H new ATOM 0 HG21 ILE A 37 -13.120 7.809 -7.383 1.00 35.00 H new ATOM 0 HG22 ILE A 37 -12.966 9.126 -8.570 1.00 35.00 H new ATOM 0 HG23 ILE A 37 -13.988 7.715 -8.933 1.00 35.00 H new ATOM 0 HD11 ILE A 37 -12.567 4.425 -7.337 1.00 52.24 H new ATOM 0 HD12 ILE A 37 -11.990 5.976 -6.682 1.00 52.24 H new ATOM 0 HD13 ILE A 37 -13.580 5.882 -7.476 1.00 52.24 H new ATOM 576 N PRO A 38 -12.065 10.072 -10.637 1.00 1.35 N ATOM 577 CA PRO A 38 -12.736 11.315 -10.978 1.00 4.11 C ATOM 578 C PRO A 38 -12.558 11.645 -12.461 1.00 64.34 C ATOM 579 O PRO A 38 -13.183 12.571 -12.974 1.00 41.55 O ATOM 580 CB PRO A 38 -12.121 12.359 -10.060 1.00 32.13 C ATOM 581 CG PRO A 38 -10.812 11.763 -9.568 1.00 32.31 C ATOM 582 CD PRO A 38 -10.824 10.279 -9.896 1.00 23.31 C ATOM 0 HA PRO A 38 -13.815 11.263 -10.834 1.00 4.11 H new ATOM 0 HB2 PRO A 38 -11.948 13.294 -10.593 1.00 32.13 H new ATOM 0 HB3 PRO A 38 -12.785 12.585 -9.226 1.00 32.13 H new ATOM 0 HG2 PRO A 38 -9.965 12.253 -10.048 1.00 32.31 H new ATOM 0 HG3 PRO A 38 -10.702 11.916 -8.494 1.00 32.31 H new ATOM 0 HD2 PRO A 38 -9.956 9.998 -10.492 1.00 23.31 H new ATOM 0 HD3 PRO A 38 -10.798 9.673 -8.990 1.00 23.31 H new ATOM 590 N ARG A 39 -11.702 10.868 -13.109 1.00 21.41 N ATOM 591 CA ARG A 39 -11.434 11.065 -14.523 1.00 41.23 C ATOM 592 C ARG A 39 -12.416 10.252 -15.368 1.00 72.34 C ATOM 593 O ARG A 39 -12.865 10.710 -16.418 1.00 65.43 O ATOM 594 CB ARG A 39 -10.004 10.651 -14.876 1.00 1.21 C ATOM 595 CG ARG A 39 -8.985 11.581 -14.215 1.00 2.52 C ATOM 596 CD ARG A 39 -7.678 11.617 -15.010 1.00 52.31 C ATOM 597 NE ARG A 39 -7.379 10.273 -15.552 1.00 43.22 N ATOM 598 CZ ARG A 39 -6.527 10.042 -16.574 1.00 20.53 C ATOM 599 NH1 ARG A 39 -5.882 11.065 -17.173 1.00 72.35 N ATOM 600 NH2 ARG A 39 -6.334 8.800 -16.977 1.00 73.42 N ATOM 0 H ARG A 39 -11.185 10.100 -12.680 1.00 21.41 H new ATOM 0 HA ARG A 39 -11.556 12.126 -14.738 1.00 41.23 H new ATOM 0 HB2 ARG A 39 -9.828 9.625 -14.553 1.00 1.21 H new ATOM 0 HB3 ARG A 39 -9.872 10.671 -15.958 1.00 1.21 H new ATOM 0 HG2 ARG A 39 -9.399 12.587 -14.143 1.00 2.52 H new ATOM 0 HG3 ARG A 39 -8.787 11.244 -13.197 1.00 2.52 H new ATOM 0 HD2 ARG A 39 -7.758 12.337 -15.824 1.00 52.31 H new ATOM 0 HD3 ARG A 39 -6.862 11.950 -14.369 1.00 52.31 H new ATOM 0 HE ARG A 39 -7.845 9.471 -15.127 1.00 43.22 H new ATOM 0 HH11 ARG A 39 -6.036 12.022 -16.854 1.00 72.35 H new ATOM 0 HH12 ARG A 39 -5.240 10.882 -17.944 1.00 72.35 H new ATOM 0 HH21 ARG A 39 -6.825 8.033 -16.518 1.00 73.42 H new ATOM 0 HH22 ARG A 39 -5.694 8.607 -17.748 1.00 73.42 H new ATOM 613 N LEU A 40 -12.722 9.059 -14.879 1.00 2.01 N ATOM 614 CA LEU A 40 -13.643 8.177 -15.576 1.00 43.51 C ATOM 615 C LEU A 40 -15.066 8.720 -15.436 1.00 13.31 C ATOM 616 O LEU A 40 -15.919 8.463 -16.284 1.00 42.45 O ATOM 617 CB LEU A 40 -13.482 6.738 -15.084 1.00 73.30 C ATOM 618 CG LEU A 40 -12.238 5.995 -15.576 1.00 11.40 C ATOM 619 CD1 LEU A 40 -12.194 5.952 -17.105 1.00 33.14 C ATOM 620 CD2 LEU A 40 -10.966 6.605 -14.983 1.00 60.22 C ATOM 0 H LEU A 40 -12.348 8.682 -14.008 1.00 2.01 H new ATOM 0 HA LEU A 40 -13.415 8.152 -16.642 1.00 43.51 H new ATOM 0 HB2 LEU A 40 -13.468 6.747 -13.994 1.00 73.30 H new ATOM 0 HB3 LEU A 40 -14.363 6.171 -15.386 1.00 73.30 H new ATOM 0 HG LEU A 40 -12.295 4.964 -15.227 1.00 11.40 H new ATOM 0 HD11 LEU A 40 -11.300 5.419 -17.428 1.00 33.14 H new ATOM 0 HD12 LEU A 40 -13.079 5.438 -17.480 1.00 33.14 H new ATOM 0 HD13 LEU A 40 -12.171 6.969 -17.497 1.00 33.14 H new ATOM 0 HD21 LEU A 40 -10.096 6.059 -15.348 1.00 60.22 H new ATOM 0 HD22 LEU A 40 -10.890 7.650 -15.282 1.00 60.22 H new ATOM 0 HD23 LEU A 40 -11.004 6.541 -13.896 1.00 60.22 H new ATOM 632 N ILE A 41 -15.279 9.461 -14.358 1.00 75.02 N ATOM 633 CA ILE A 41 -16.585 10.042 -14.096 1.00 11.31 C ATOM 634 C ILE A 41 -17.008 10.897 -15.292 1.00 43.14 C ATOM 635 O ILE A 41 -16.233 11.721 -15.776 1.00 2.13 O ATOM 636 CB ILE A 41 -16.576 10.804 -12.769 1.00 21.41 C ATOM 637 CG1 ILE A 41 -16.237 9.871 -11.604 1.00 53.01 C ATOM 638 CG2 ILE A 41 -17.900 11.538 -12.549 1.00 1.11 C ATOM 639 CD1 ILE A 41 -17.491 9.518 -10.802 1.00 14.32 C ATOM 0 H ILE A 41 -14.569 9.672 -13.656 1.00 75.02 H new ATOM 0 HA ILE A 41 -17.334 9.258 -13.983 1.00 11.31 H new ATOM 0 HB ILE A 41 -15.793 11.561 -12.815 1.00 21.41 H new ATOM 0 HG12 ILE A 41 -15.776 8.960 -11.985 1.00 53.01 H new ATOM 0 HG13 ILE A 41 -15.506 10.349 -10.952 1.00 53.01 H new ATOM 0 HG21 ILE A 41 -17.867 12.071 -11.599 1.00 1.11 H new ATOM 0 HG22 ILE A 41 -18.061 12.249 -13.359 1.00 1.11 H new ATOM 0 HG23 ILE A 41 -18.717 10.817 -12.532 1.00 1.11 H new ATOM 0 HD11 ILE A 41 -17.222 8.854 -9.980 1.00 14.32 H new ATOM 0 HD12 ILE A 41 -17.935 10.429 -10.402 1.00 14.32 H new ATOM 0 HD13 ILE A 41 -18.210 9.019 -11.452 1.00 14.32 H new ATOM 651 N SER A 42 -18.236 10.672 -15.736 1.00 24.41 N ATOM 652 CA SER A 42 -18.771 11.411 -16.867 1.00 25.23 C ATOM 653 C SER A 42 -18.372 10.726 -18.175 1.00 71.35 C ATOM 654 O SER A 42 -18.922 11.030 -19.232 1.00 55.45 O ATOM 655 CB SER A 42 -18.283 12.861 -16.857 1.00 20.00 C ATOM 656 OG SER A 42 -17.181 13.059 -17.738 1.00 4.51 O ATOM 0 H SER A 42 -18.876 9.988 -15.333 1.00 24.41 H new ATOM 0 HA SER A 42 -19.858 11.421 -16.786 1.00 25.23 H new ATOM 0 HB2 SER A 42 -19.101 13.521 -17.146 1.00 20.00 H new ATOM 0 HB3 SER A 42 -17.992 13.139 -15.844 1.00 20.00 H new ATOM 0 HG SER A 42 -16.388 12.612 -17.375 1.00 4.51 H new ATOM 662 N MET A 43 -17.419 9.813 -18.062 1.00 25.11 N ATOM 663 CA MET A 43 -16.940 9.082 -19.223 1.00 0.01 C ATOM 664 C MET A 43 -17.578 7.694 -19.298 1.00 74.52 C ATOM 665 O MET A 43 -17.532 6.932 -18.333 1.00 62.15 O ATOM 666 CB MET A 43 -15.418 8.941 -19.146 1.00 55.12 C ATOM 667 CG MET A 43 -14.785 10.179 -18.509 1.00 44.40 C ATOM 668 SD MET A 43 -13.202 10.512 -19.264 1.00 50.34 S ATOM 669 CE MET A 43 -12.595 8.845 -19.459 1.00 43.12 C ATOM 0 H MET A 43 -16.965 9.562 -17.184 1.00 25.11 H new ATOM 0 HA MET A 43 -17.217 9.638 -20.119 1.00 0.01 H new ATOM 0 HB2 MET A 43 -15.160 8.056 -18.564 1.00 55.12 H new ATOM 0 HB3 MET A 43 -15.012 8.794 -20.147 1.00 55.12 H new ATOM 0 HG2 MET A 43 -15.444 11.039 -18.632 1.00 44.40 H new ATOM 0 HG3 MET A 43 -14.661 10.023 -17.437 1.00 44.40 H new ATOM 0 HE1 MET A 43 -11.560 8.793 -19.122 1.00 43.12 H new ATOM 0 HE2 MET A 43 -13.204 8.164 -18.865 1.00 43.12 H new ATOM 0 HE3 MET A 43 -12.650 8.558 -20.509 1.00 43.12 H new ATOM 679 N GLN A 44 -18.160 7.406 -20.454 1.00 2.54 N ATOM 680 CA GLN A 44 -18.807 6.123 -20.667 1.00 43.14 C ATOM 681 C GLN A 44 -17.761 5.041 -20.943 1.00 21.22 C ATOM 682 O GLN A 44 -16.564 5.322 -20.969 1.00 23.11 O ATOM 683 CB GLN A 44 -19.824 6.205 -21.807 1.00 51.01 C ATOM 684 CG GLN A 44 -20.750 7.410 -21.630 1.00 32.01 C ATOM 685 CD GLN A 44 -21.021 8.095 -22.971 1.00 33.01 C ATOM 686 OE1 GLN A 44 -20.537 9.179 -23.253 1.00 21.41 O ATOM 687 NE2 GLN A 44 -21.820 7.404 -23.779 1.00 54.43 N ATOM 0 H GLN A 44 -18.197 8.040 -21.252 1.00 2.54 H new ATOM 0 HA GLN A 44 -19.348 5.855 -19.759 1.00 43.14 H new ATOM 0 HB2 GLN A 44 -19.301 6.280 -22.761 1.00 51.01 H new ATOM 0 HB3 GLN A 44 -20.415 5.289 -21.839 1.00 51.01 H new ATOM 0 HG2 GLN A 44 -21.692 7.087 -21.186 1.00 32.01 H new ATOM 0 HG3 GLN A 44 -20.299 8.122 -20.939 1.00 32.01 H new ATOM 0 HE21 GLN A 44 -22.191 6.502 -23.480 1.00 54.43 H new ATOM 0 HE22 GLN A 44 -22.062 7.776 -24.697 1.00 54.43 H new ATOM 696 N VAL A 45 -18.251 3.826 -21.141 1.00 51.02 N ATOM 697 CA VAL A 45 -17.374 2.700 -21.414 1.00 3.34 C ATOM 698 C VAL A 45 -17.590 2.228 -22.853 1.00 24.53 C ATOM 699 O VAL A 45 -18.712 2.250 -23.355 1.00 71.52 O ATOM 700 CB VAL A 45 -17.604 1.595 -20.381 1.00 1.45 C ATOM 701 CG1 VAL A 45 -16.903 1.924 -19.061 1.00 63.00 C ATOM 702 CG2 VAL A 45 -19.098 1.352 -20.162 1.00 15.12 C ATOM 0 H VAL A 45 -19.245 3.597 -21.118 1.00 51.02 H new ATOM 0 HA VAL A 45 -16.330 2.999 -21.323 1.00 3.34 H new ATOM 0 HB VAL A 45 -17.169 0.675 -20.772 1.00 1.45 H new ATOM 0 HG11 VAL A 45 -17.082 1.123 -18.344 1.00 63.00 H new ATOM 0 HG12 VAL A 45 -15.831 2.024 -19.233 1.00 63.00 H new ATOM 0 HG13 VAL A 45 -17.295 2.860 -18.664 1.00 63.00 H new ATOM 0 HG21 VAL A 45 -19.234 0.562 -19.423 1.00 15.12 H new ATOM 0 HG22 VAL A 45 -19.567 2.268 -19.804 1.00 15.12 H new ATOM 0 HG23 VAL A 45 -19.560 1.052 -21.103 1.00 15.12 H new ATOM 712 N ASN A 46 -16.497 1.811 -23.475 1.00 43.12 N ATOM 713 CA ASN A 46 -16.552 1.334 -24.846 1.00 74.25 C ATOM 714 C ASN A 46 -16.746 -0.184 -24.846 1.00 42.12 C ATOM 715 O ASN A 46 -16.255 -0.876 -25.737 1.00 11.02 O ATOM 716 CB ASN A 46 -15.252 1.645 -25.591 1.00 34.50 C ATOM 717 CG ASN A 46 -14.076 0.879 -24.983 1.00 22.50 C ATOM 718 OD1 ASN A 46 -14.164 -0.296 -24.664 1.00 53.22 O ATOM 719 ND2 ASN A 46 -12.972 1.607 -24.841 1.00 30.45 N ATOM 0 H ASN A 46 -15.568 1.794 -23.054 1.00 43.12 H new ATOM 0 HA ASN A 46 -17.381 1.836 -25.344 1.00 74.25 H new ATOM 0 HB2 ASN A 46 -15.359 1.380 -26.643 1.00 34.50 H new ATOM 0 HB3 ASN A 46 -15.053 2.716 -25.551 1.00 34.50 H new ATOM 0 HD21 ASN A 46 -12.131 1.187 -24.445 1.00 30.45 H new ATOM 0 HD22 ASN A 46 -12.966 2.586 -25.128 1.00 30.45 H new ATOM 726 N GLN A 47 -17.462 -0.657 -23.837 1.00 11.21 N ATOM 727 CA GLN A 47 -17.727 -2.080 -23.709 1.00 5.10 C ATOM 728 C GLN A 47 -18.487 -2.364 -22.412 1.00 22.00 C ATOM 729 O GLN A 47 -18.317 -1.656 -21.421 1.00 2.32 O ATOM 730 CB GLN A 47 -16.428 -2.887 -23.771 1.00 50.43 C ATOM 731 CG GLN A 47 -16.674 -4.351 -23.403 1.00 72.23 C ATOM 732 CD GLN A 47 -15.353 -5.100 -23.222 1.00 24.43 C ATOM 733 OE1 GLN A 47 -15.094 -6.115 -23.847 1.00 63.52 O ATOM 734 NE2 GLN A 47 -14.534 -4.545 -22.333 1.00 65.20 N ATOM 0 H GLN A 47 -17.867 -0.080 -23.100 1.00 11.21 H new ATOM 0 HA GLN A 47 -18.350 -2.391 -24.548 1.00 5.10 H new ATOM 0 HB2 GLN A 47 -16.006 -2.826 -24.774 1.00 50.43 H new ATOM 0 HB3 GLN A 47 -15.695 -2.455 -23.090 1.00 50.43 H new ATOM 0 HG2 GLN A 47 -17.256 -4.406 -22.483 1.00 72.23 H new ATOM 0 HG3 GLN A 47 -17.265 -4.831 -24.183 1.00 72.23 H new ATOM 0 HE21 GLN A 47 -14.813 -3.694 -21.844 1.00 65.20 H new ATOM 0 HE22 GLN A 47 -13.627 -4.970 -22.140 1.00 65.20 H new ATOM 743 N VAL A 48 -19.309 -3.402 -22.461 1.00 0.23 N ATOM 744 CA VAL A 48 -20.096 -3.788 -21.302 1.00 22.31 C ATOM 745 C VAL A 48 -19.159 -4.276 -20.195 1.00 14.25 C ATOM 746 O VAL A 48 -18.612 -5.374 -20.279 1.00 5.14 O ATOM 747 CB VAL A 48 -21.141 -4.831 -21.703 1.00 60.22 C ATOM 748 CG1 VAL A 48 -21.529 -5.706 -20.509 1.00 53.34 C ATOM 749 CG2 VAL A 48 -22.373 -4.164 -22.318 1.00 60.21 C ATOM 0 H VAL A 48 -19.447 -3.987 -23.285 1.00 0.23 H new ATOM 0 HA VAL A 48 -20.645 -2.932 -20.910 1.00 22.31 H new ATOM 0 HB VAL A 48 -20.697 -5.477 -22.460 1.00 60.22 H new ATOM 0 HG11 VAL A 48 -22.273 -6.439 -20.821 1.00 53.34 H new ATOM 0 HG12 VAL A 48 -20.646 -6.223 -20.134 1.00 53.34 H new ATOM 0 HG13 VAL A 48 -21.945 -5.080 -19.719 1.00 53.34 H new ATOM 0 HG21 VAL A 48 -23.100 -4.927 -22.594 1.00 60.21 H new ATOM 0 HG22 VAL A 48 -22.819 -3.484 -21.592 1.00 60.21 H new ATOM 0 HG23 VAL A 48 -22.079 -3.605 -23.206 1.00 60.21 H new ATOM 759 N VAL A 49 -19.004 -3.435 -19.182 1.00 34.50 N ATOM 760 CA VAL A 49 -18.144 -3.767 -18.059 1.00 63.02 C ATOM 761 C VAL A 49 -19.005 -4.041 -16.825 1.00 74.11 C ATOM 762 O VAL A 49 -19.474 -3.110 -16.172 1.00 34.42 O ATOM 763 CB VAL A 49 -17.120 -2.652 -17.838 1.00 3.03 C ATOM 764 CG1 VAL A 49 -16.049 -3.083 -16.834 1.00 4.22 C ATOM 765 CG2 VAL A 49 -16.488 -2.217 -19.161 1.00 65.35 C ATOM 0 H VAL A 49 -19.460 -2.525 -19.116 1.00 34.50 H new ATOM 0 HA VAL A 49 -17.578 -4.675 -18.267 1.00 63.02 H new ATOM 0 HB VAL A 49 -17.645 -1.793 -17.420 1.00 3.03 H new ATOM 0 HG11 VAL A 49 -15.334 -2.273 -16.695 1.00 4.22 H new ATOM 0 HG12 VAL A 49 -16.519 -3.320 -15.880 1.00 4.22 H new ATOM 0 HG13 VAL A 49 -15.530 -3.964 -17.211 1.00 4.22 H new ATOM 0 HG21 VAL A 49 -15.764 -1.424 -18.975 1.00 65.35 H new ATOM 0 HG22 VAL A 49 -15.984 -3.067 -19.621 1.00 65.35 H new ATOM 0 HG23 VAL A 49 -17.265 -1.850 -19.832 1.00 65.35 H new ATOM 775 N PRO A 50 -19.193 -5.357 -16.535 1.00 43.45 N ATOM 776 CA PRO A 50 -19.990 -5.765 -15.391 1.00 42.03 C ATOM 777 C PRO A 50 -19.223 -5.551 -14.085 1.00 13.25 C ATOM 778 O PRO A 50 -18.016 -5.318 -14.100 1.00 44.00 O ATOM 779 CB PRO A 50 -20.329 -7.224 -15.649 1.00 21.13 C ATOM 780 CG PRO A 50 -19.329 -7.708 -16.686 1.00 41.34 C ATOM 781 CD PRO A 50 -18.653 -6.486 -17.287 1.00 23.02 C ATOM 0 HA PRO A 50 -20.898 -5.173 -15.277 1.00 42.03 H new ATOM 0 HB2 PRO A 50 -20.256 -7.810 -14.733 1.00 21.13 H new ATOM 0 HB3 PRO A 50 -21.351 -7.329 -16.013 1.00 21.13 H new ATOM 0 HG2 PRO A 50 -18.591 -8.366 -16.227 1.00 41.34 H new ATOM 0 HG3 PRO A 50 -19.832 -8.286 -17.461 1.00 41.34 H new ATOM 0 HD2 PRO A 50 -17.569 -6.545 -17.189 1.00 23.02 H new ATOM 0 HD3 PRO A 50 -18.873 -6.395 -18.351 1.00 23.02 H new ATOM 789 N MET A 51 -19.957 -5.637 -12.985 1.00 21.24 N ATOM 790 CA MET A 51 -19.361 -5.456 -11.672 1.00 13.13 C ATOM 791 C MET A 51 -18.283 -6.509 -11.409 1.00 4.32 C ATOM 792 O MET A 51 -18.386 -7.640 -11.881 1.00 42.31 O ATOM 793 CB MET A 51 -20.448 -5.559 -10.599 1.00 63.14 C ATOM 794 CG MET A 51 -19.906 -5.148 -9.229 1.00 20.33 C ATOM 795 SD MET A 51 -21.215 -5.194 -8.016 1.00 71.12 S ATOM 796 CE MET A 51 -20.967 -6.833 -7.354 1.00 74.34 C ATOM 0 H MET A 51 -20.959 -5.830 -12.976 1.00 21.24 H new ATOM 0 HA MET A 51 -18.896 -4.471 -11.638 1.00 13.13 H new ATOM 0 HB2 MET A 51 -21.290 -4.921 -10.867 1.00 63.14 H new ATOM 0 HB3 MET A 51 -20.824 -6.581 -10.554 1.00 63.14 H new ATOM 0 HG2 MET A 51 -19.100 -5.818 -8.932 1.00 20.33 H new ATOM 0 HG3 MET A 51 -19.483 -4.145 -9.282 1.00 20.33 H new ATOM 0 HE1 MET A 51 -21.707 -7.027 -6.577 1.00 74.34 H new ATOM 0 HE2 MET A 51 -21.076 -7.568 -8.152 1.00 74.34 H new ATOM 0 HE3 MET A 51 -19.966 -6.906 -6.928 1.00 74.34 H new ATOM 806 N GLY A 52 -17.272 -6.099 -10.656 1.00 32.21 N ATOM 807 CA GLY A 52 -16.175 -6.993 -10.325 1.00 15.04 C ATOM 808 C GLY A 52 -15.139 -7.030 -11.450 1.00 33.13 C ATOM 809 O GLY A 52 -14.055 -7.586 -11.282 1.00 30.12 O ATOM 0 H GLY A 52 -17.190 -5.160 -10.266 1.00 32.21 H new ATOM 0 HA2 GLY A 52 -15.701 -6.665 -9.400 1.00 15.04 H new ATOM 0 HA3 GLY A 52 -16.560 -7.997 -10.148 1.00 15.04 H new ATOM 813 N THR A 53 -15.510 -6.431 -12.572 1.00 24.11 N ATOM 814 CA THR A 53 -14.626 -6.389 -13.725 1.00 2.35 C ATOM 815 C THR A 53 -13.694 -5.179 -13.638 1.00 2.54 C ATOM 816 O THR A 53 -14.148 -4.036 -13.681 1.00 60.21 O ATOM 817 CB THR A 53 -15.492 -6.399 -14.985 1.00 53.04 C ATOM 818 OG1 THR A 53 -16.303 -7.562 -14.840 1.00 41.21 O ATOM 819 CG2 THR A 53 -14.679 -6.668 -16.253 1.00 4.01 C ATOM 0 H THR A 53 -16.410 -5.971 -12.707 1.00 24.11 H new ATOM 0 HA THR A 53 -13.973 -7.261 -13.755 1.00 2.35 H new ATOM 0 HB THR A 53 -16.005 -5.442 -15.079 1.00 53.04 H new ATOM 0 HG1 THR A 53 -17.197 -7.301 -14.536 1.00 41.21 H new ATOM 0 HG21 THR A 53 -15.342 -6.664 -17.118 1.00 4.01 H new ATOM 0 HG22 THR A 53 -13.923 -5.892 -16.372 1.00 4.01 H new ATOM 0 HG23 THR A 53 -14.192 -7.640 -16.173 1.00 4.01 H new ATOM 827 N THR A 54 -12.407 -5.470 -13.516 1.00 71.43 N ATOM 828 CA THR A 54 -11.407 -4.420 -13.423 1.00 31.42 C ATOM 829 C THR A 54 -11.606 -3.393 -14.539 1.00 73.42 C ATOM 830 O THR A 54 -11.985 -3.749 -15.654 1.00 42.23 O ATOM 831 CB THR A 54 -10.026 -5.079 -13.443 1.00 34.34 C ATOM 832 OG1 THR A 54 -10.028 -5.923 -12.295 1.00 31.35 O ATOM 833 CG2 THR A 54 -8.898 -4.083 -13.171 1.00 1.53 C ATOM 0 H THR A 54 -12.034 -6.419 -13.479 1.00 71.43 H new ATOM 0 HA THR A 54 -11.504 -3.863 -12.491 1.00 31.42 H new ATOM 0 HB THR A 54 -9.865 -5.554 -14.411 1.00 34.34 H new ATOM 0 HG1 THR A 54 -10.720 -5.622 -11.669 1.00 31.35 H new ATOM 0 HG21 THR A 54 -7.940 -4.602 -13.197 1.00 1.53 H new ATOM 0 HG22 THR A 54 -8.909 -3.304 -13.933 1.00 1.53 H new ATOM 0 HG23 THR A 54 -9.040 -3.632 -12.189 1.00 1.53 H new ATOM 841 N LEU A 55 -11.342 -2.140 -14.200 1.00 54.05 N ATOM 842 CA LEU A 55 -11.488 -1.059 -15.160 1.00 41.24 C ATOM 843 C LEU A 55 -10.187 -0.907 -15.951 1.00 53.55 C ATOM 844 O LEU A 55 -9.107 -0.832 -15.368 1.00 62.33 O ATOM 845 CB LEU A 55 -11.934 0.225 -14.458 1.00 34.12 C ATOM 846 CG LEU A 55 -13.101 0.973 -15.106 1.00 0.31 C ATOM 847 CD1 LEU A 55 -13.127 0.744 -16.618 1.00 44.44 C ATOM 848 CD2 LEU A 55 -14.429 0.596 -14.446 1.00 62.54 C ATOM 0 H LEU A 55 -11.028 -1.849 -13.274 1.00 54.05 H new ATOM 0 HA LEU A 55 -12.274 -1.291 -15.879 1.00 41.24 H new ATOM 0 HB2 LEU A 55 -12.211 -0.022 -13.433 1.00 34.12 H new ATOM 0 HB3 LEU A 55 -11.081 0.901 -14.403 1.00 34.12 H new ATOM 0 HG LEU A 55 -12.954 2.041 -14.945 1.00 0.31 H new ATOM 0 HD11 LEU A 55 -13.966 1.287 -17.054 1.00 44.44 H new ATOM 0 HD12 LEU A 55 -12.196 1.103 -17.056 1.00 44.44 H new ATOM 0 HD13 LEU A 55 -13.238 -0.321 -16.823 1.00 44.44 H new ATOM 0 HD21 LEU A 55 -15.242 1.142 -14.926 1.00 62.54 H new ATOM 0 HD22 LEU A 55 -14.598 -0.475 -14.554 1.00 62.54 H new ATOM 0 HD23 LEU A 55 -14.395 0.853 -13.387 1.00 62.54 H new ATOM 860 N MET A 56 -10.334 -0.864 -17.268 1.00 31.44 N ATOM 861 CA MET A 56 -9.184 -0.722 -18.145 1.00 34.33 C ATOM 862 C MET A 56 -9.249 0.593 -18.925 1.00 21.55 C ATOM 863 O MET A 56 -10.331 1.132 -19.151 1.00 21.31 O ATOM 864 CB MET A 56 -9.142 -1.896 -19.125 1.00 61.01 C ATOM 865 CG MET A 56 -9.050 -3.229 -18.380 1.00 63.44 C ATOM 866 SD MET A 56 -7.340 -3.703 -18.185 1.00 2.41 S ATOM 867 CE MET A 56 -7.341 -4.162 -16.460 1.00 64.52 C ATOM 0 H MET A 56 -11.232 -0.925 -17.748 1.00 31.44 H new ATOM 0 HA MET A 56 -8.282 -0.716 -17.533 1.00 34.33 H new ATOM 0 HB2 MET A 56 -10.035 -1.885 -19.749 1.00 61.01 H new ATOM 0 HB3 MET A 56 -8.286 -1.788 -19.791 1.00 61.01 H new ATOM 0 HG2 MET A 56 -9.526 -3.143 -17.403 1.00 63.44 H new ATOM 0 HG3 MET A 56 -9.589 -4.000 -18.930 1.00 63.44 H new ATOM 0 HE1 MET A 56 -6.342 -4.022 -16.046 1.00 64.52 H new ATOM 0 HE2 MET A 56 -8.050 -3.536 -15.917 1.00 64.52 H new ATOM 0 HE3 MET A 56 -7.631 -5.208 -16.362 1.00 64.52 H new ATOM 877 N PRO A 57 -8.045 1.083 -19.324 1.00 52.33 N ATOM 878 CA PRO A 57 -7.955 2.325 -20.074 1.00 63.40 C ATOM 879 C PRO A 57 -8.393 2.122 -21.526 1.00 31.32 C ATOM 880 O PRO A 57 -8.594 3.089 -22.258 1.00 44.15 O ATOM 881 CB PRO A 57 -6.503 2.756 -19.947 1.00 1.23 C ATOM 882 CG PRO A 57 -5.734 1.514 -19.528 1.00 21.32 C ATOM 883 CD PRO A 57 -6.743 0.472 -19.074 1.00 72.32 C ATOM 0 HA PRO A 57 -8.622 3.097 -19.690 1.00 63.40 H new ATOM 0 HB2 PRO A 57 -6.128 3.147 -20.893 1.00 1.23 H new ATOM 0 HB3 PRO A 57 -6.395 3.550 -19.208 1.00 1.23 H new ATOM 0 HG2 PRO A 57 -5.141 1.134 -20.360 1.00 21.32 H new ATOM 0 HG3 PRO A 57 -5.039 1.749 -18.722 1.00 21.32 H new ATOM 0 HD2 PRO A 57 -6.629 -0.458 -19.630 1.00 72.32 H new ATOM 0 HD3 PRO A 57 -6.615 0.230 -18.019 1.00 72.32 H new ATOM 891 N ASP A 58 -8.529 0.857 -21.898 1.00 52.40 N ATOM 892 CA ASP A 58 -8.940 0.515 -23.249 1.00 54.20 C ATOM 893 C ASP A 58 -10.428 0.156 -23.249 1.00 44.13 C ATOM 894 O ASP A 58 -10.948 -0.347 -24.244 1.00 32.13 O ATOM 895 CB ASP A 58 -8.162 -0.694 -23.772 1.00 11.21 C ATOM 896 CG ASP A 58 -6.860 -0.358 -24.502 1.00 73.15 C ATOM 897 OD1 ASP A 58 -6.701 0.743 -25.051 1.00 33.41 O ATOM 898 OD2 ASP A 58 -5.974 -1.295 -24.495 1.00 22.21 O ATOM 0 H ASP A 58 -8.362 0.057 -21.287 1.00 52.40 H new ATOM 0 HA ASP A 58 -8.743 1.375 -23.889 1.00 54.20 H new ATOM 0 HB2 ASP A 58 -7.931 -1.350 -22.932 1.00 11.21 H new ATOM 0 HB3 ASP A 58 -8.806 -1.256 -24.448 1.00 11.21 H new ATOM 904 N MET A 59 -11.070 0.429 -22.123 1.00 23.01 N ATOM 905 CA MET A 59 -12.487 0.141 -21.981 1.00 2.03 C ATOM 906 C MET A 59 -13.277 1.414 -21.671 1.00 43.32 C ATOM 907 O MET A 59 -14.462 1.351 -21.348 1.00 61.22 O ATOM 908 CB MET A 59 -12.691 -0.873 -20.854 1.00 31.33 C ATOM 909 CG MET A 59 -12.263 -2.275 -21.293 1.00 72.04 C ATOM 910 SD MET A 59 -12.918 -3.495 -20.167 1.00 13.22 S ATOM 911 CE MET A 59 -12.473 -2.748 -18.608 1.00 22.00 C ATOM 0 H MET A 59 -10.635 0.847 -21.300 1.00 23.01 H new ATOM 0 HA MET A 59 -12.851 -0.270 -22.923 1.00 2.03 H new ATOM 0 HB2 MET A 59 -12.115 -0.570 -19.979 1.00 31.33 H new ATOM 0 HB3 MET A 59 -13.740 -0.885 -20.557 1.00 31.33 H new ATOM 0 HG2 MET A 59 -12.619 -2.473 -22.304 1.00 72.04 H new ATOM 0 HG3 MET A 59 -11.175 -2.340 -21.320 1.00 72.04 H new ATOM 0 HE1 MET A 59 -11.804 -3.414 -18.063 1.00 22.00 H new ATOM 0 HE2 MET A 59 -11.970 -1.798 -18.790 1.00 22.00 H new ATOM 0 HE3 MET A 59 -13.373 -2.575 -18.018 1.00 22.00 H new ATOM 921 N VAL A 60 -12.588 2.541 -21.781 1.00 32.12 N ATOM 922 CA VAL A 60 -13.211 3.827 -21.517 1.00 5.13 C ATOM 923 C VAL A 60 -13.078 4.717 -22.754 1.00 63.23 C ATOM 924 O VAL A 60 -11.998 4.822 -23.335 1.00 34.31 O ATOM 925 CB VAL A 60 -12.602 4.455 -20.261 1.00 70.11 C ATOM 926 CG1 VAL A 60 -13.168 5.856 -20.019 1.00 63.33 C ATOM 927 CG2 VAL A 60 -12.817 3.558 -19.040 1.00 55.23 C ATOM 0 H VAL A 60 -11.605 2.590 -22.049 1.00 32.12 H new ATOM 0 HA VAL A 60 -14.276 3.702 -21.319 1.00 5.13 H new ATOM 0 HB VAL A 60 -11.528 4.551 -20.421 1.00 70.11 H new ATOM 0 HG11 VAL A 60 -12.719 6.280 -19.121 1.00 63.33 H new ATOM 0 HG12 VAL A 60 -12.940 6.493 -20.874 1.00 63.33 H new ATOM 0 HG13 VAL A 60 -14.249 5.795 -19.890 1.00 63.33 H new ATOM 0 HG21 VAL A 60 -12.375 4.027 -18.161 1.00 55.23 H new ATOM 0 HG22 VAL A 60 -13.885 3.416 -18.877 1.00 55.23 H new ATOM 0 HG23 VAL A 60 -12.344 2.591 -19.211 1.00 55.23 H new ATOM 937 N LYS A 61 -14.191 5.335 -23.122 1.00 24.23 N ATOM 938 CA LYS A 61 -14.212 6.212 -24.280 1.00 11.12 C ATOM 939 C LYS A 61 -13.763 7.614 -23.861 1.00 34.50 C ATOM 940 O LYS A 61 -13.990 8.028 -22.725 1.00 43.13 O ATOM 941 CB LYS A 61 -15.587 6.181 -24.950 1.00 13.22 C ATOM 942 CG LYS A 61 -16.358 4.918 -24.562 1.00 31.15 C ATOM 943 CD LYS A 61 -17.280 4.468 -25.696 1.00 75.13 C ATOM 944 CE LYS A 61 -18.687 4.169 -25.174 1.00 11.13 C ATOM 945 NZ LYS A 61 -19.682 5.044 -25.833 1.00 42.42 N ATOM 0 H LYS A 61 -15.085 5.246 -22.638 1.00 24.23 H new ATOM 0 HA LYS A 61 -13.507 5.864 -25.035 1.00 11.12 H new ATOM 0 HB2 LYS A 61 -16.157 7.063 -24.659 1.00 13.22 H new ATOM 0 HB3 LYS A 61 -15.469 6.221 -26.033 1.00 13.22 H new ATOM 0 HG2 LYS A 61 -15.657 4.119 -24.320 1.00 31.15 H new ATOM 0 HG3 LYS A 61 -16.946 5.108 -23.664 1.00 31.15 H new ATOM 0 HD2 LYS A 61 -17.329 5.245 -26.459 1.00 75.13 H new ATOM 0 HD3 LYS A 61 -16.868 3.578 -26.173 1.00 75.13 H new ATOM 0 HE2 LYS A 61 -18.935 3.124 -25.358 1.00 11.13 H new ATOM 0 HE3 LYS A 61 -18.720 4.319 -24.095 1.00 11.13 H new ATOM 0 HZ1 LYS A 61 -20.513 5.150 -25.217 1.00 42.42 H new ATOM 0 HZ2 LYS A 61 -19.260 5.978 -26.009 1.00 42.42 H new ATOM 0 HZ3 LYS A 61 -19.973 4.620 -26.737 1.00 42.42 H new ATOM 958 N GLY A 62 -13.135 8.305 -24.801 1.00 33.42 N ATOM 959 CA GLY A 62 -12.653 9.651 -24.544 1.00 22.24 C ATOM 960 C GLY A 62 -11.638 9.660 -23.398 1.00 54.21 C ATOM 961 O GLY A 62 -11.318 10.717 -22.856 1.00 54.02 O ATOM 0 H GLY A 62 -12.949 7.958 -25.742 1.00 33.42 H new ATOM 0 HA2 GLY A 62 -12.193 10.055 -25.446 1.00 22.24 H new ATOM 0 HA3 GLY A 62 -13.492 10.301 -24.296 1.00 22.24 H new ATOM 965 N TYR A 63 -11.161 8.471 -23.063 1.00 61.53 N ATOM 966 CA TYR A 63 -10.189 8.328 -21.992 1.00 54.41 C ATOM 967 C TYR A 63 -8.779 8.661 -22.483 1.00 70.24 C ATOM 968 O TYR A 63 -8.573 8.906 -23.671 1.00 71.30 O ATOM 969 CB TYR A 63 -10.237 6.858 -21.572 1.00 50.01 C ATOM 970 CG TYR A 63 -9.239 6.493 -20.471 1.00 74.11 C ATOM 971 CD1 TYR A 63 -9.600 6.615 -19.145 1.00 34.33 C ATOM 972 CD2 TYR A 63 -7.978 6.042 -20.804 1.00 74.54 C ATOM 973 CE1 TYR A 63 -8.661 6.271 -18.108 1.00 74.14 C ATOM 974 CE2 TYR A 63 -7.039 5.698 -19.768 1.00 74.22 C ATOM 975 CZ TYR A 63 -7.427 5.830 -18.471 1.00 72.54 C ATOM 976 OH TYR A 63 -6.540 5.505 -17.493 1.00 34.13 O ATOM 0 H TYR A 63 -11.429 7.597 -23.514 1.00 61.53 H new ATOM 0 HA TYR A 63 -10.422 9.005 -21.170 1.00 54.41 H new ATOM 0 HB2 TYR A 63 -11.244 6.622 -21.228 1.00 50.01 H new ATOM 0 HB3 TYR A 63 -10.043 6.235 -22.445 1.00 50.01 H new ATOM 0 HD1 TYR A 63 -10.587 6.968 -18.884 1.00 34.33 H new ATOM 0 HD2 TYR A 63 -7.695 5.947 -21.842 1.00 74.54 H new ATOM 0 HE1 TYR A 63 -8.931 6.361 -17.066 1.00 74.14 H new ATOM 0 HE2 TYR A 63 -6.049 5.343 -20.015 1.00 74.22 H new ATOM 0 HH TYR A 63 -6.681 6.086 -16.717 1.00 34.13 H new ATOM 986 N ALA A 64 -7.844 8.658 -21.545 1.00 11.54 N ATOM 987 CA ALA A 64 -6.459 8.957 -21.867 1.00 30.30 C ATOM 988 C ALA A 64 -5.654 9.081 -20.572 1.00 1.41 C ATOM 989 O ALA A 64 -6.219 9.320 -19.506 1.00 32.52 O ATOM 990 CB ALA A 64 -6.395 10.226 -22.718 1.00 42.51 C ATOM 0 H ALA A 64 -8.018 8.453 -20.561 1.00 11.54 H new ATOM 0 HA ALA A 64 -6.018 8.150 -22.452 1.00 30.30 H new ATOM 0 HB1 ALA A 64 -5.356 10.450 -22.959 1.00 42.51 H new ATOM 0 HB2 ALA A 64 -6.957 10.075 -23.640 1.00 42.51 H new ATOM 0 HB3 ALA A 64 -6.826 11.059 -22.162 1.00 42.51 H new ATOM 996 N PRO A 65 -4.312 8.911 -20.711 1.00 21.42 N ATOM 997 CA PRO A 65 -3.423 9.002 -19.565 1.00 33.42 C ATOM 998 C PRO A 65 -3.229 10.457 -19.136 1.00 44.41 C ATOM 999 O PRO A 65 -4.015 11.328 -19.506 1.00 34.32 O ATOM 1000 CB PRO A 65 -2.132 8.337 -20.014 1.00 53.02 C ATOM 1001 CG PRO A 65 -2.182 8.315 -21.533 1.00 62.13 C ATOM 1002 CD PRO A 65 -3.607 8.627 -21.958 1.00 14.42 C ATOM 0 HA PRO A 65 -3.824 8.506 -18.681 1.00 33.42 H new ATOM 0 HB2 PRO A 65 -1.263 8.892 -19.660 1.00 53.02 H new ATOM 0 HB3 PRO A 65 -2.052 7.327 -19.611 1.00 53.02 H new ATOM 0 HG2 PRO A 65 -1.491 9.049 -21.948 1.00 62.13 H new ATOM 0 HG3 PRO A 65 -1.876 7.339 -21.911 1.00 62.13 H new ATOM 0 HD2 PRO A 65 -3.640 9.481 -22.635 1.00 14.42 H new ATOM 0 HD3 PRO A 65 -4.057 7.785 -22.484 1.00 14.42 H new ATOM 1010 N ALA A 66 -2.176 10.677 -18.362 1.00 41.22 N ATOM 1011 CA ALA A 66 -1.868 12.013 -17.879 1.00 63.44 C ATOM 1012 C ALA A 66 -0.355 12.148 -17.698 1.00 24.13 C ATOM 1013 O ALA A 66 0.340 11.155 -17.487 1.00 2.11 O ATOM 1014 CB ALA A 66 -2.637 12.277 -16.583 1.00 44.13 C ATOM 0 H ALA A 66 -1.525 9.953 -18.057 1.00 41.22 H new ATOM 0 HA ALA A 66 -2.182 12.765 -18.603 1.00 63.44 H new ATOM 0 HB1 ALA A 66 -2.406 13.279 -16.221 1.00 44.13 H new ATOM 0 HB2 ALA A 66 -3.707 12.197 -16.772 1.00 44.13 H new ATOM 0 HB3 ALA A 66 -2.346 11.543 -15.831 1.00 44.13 H new TER 1020 ALA A 66