USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 914 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 43 ASN : amide:sc= -0.185 X(o=-0.78,f=-0.63) USER MOD Set 1.2: A 47 GLN : amide:sc= -0.599 X(o=-0.78,f=-0.63) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 20:sc= 0.845 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 145:sc= -0.0657 (180deg=-1.7) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.6!) USER MOD Single : A 28 LYS NZ :NH3+ -140:sc= -0.368 (180deg=-1.51!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 50:sc= 0.918 USER MOD Single : A 37 GLN : amide:sc= -0.0436 K(o=-0.044,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 141:sc= -0.0983 (180deg=-0.164) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -140:sc= -0.579 USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.219) USER MOD Single : A 51 HIS : no HD1:sc= -0.936 K(o=-0.94,f=-1.9!) USER MOD Single : A 57 SER OG : rot 78:sc= 0.751 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 46:sc= 1.11 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -9.23! C(o=-9.2!,f=-7.1!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 MET CE :methyl 145:sc= -1.26 (180deg=-2.73) USER MOD Single : A 77 GLN : amide:sc= 0.207 K(o=0.21,f=-0.36) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -138:sc= -0.365 (180deg=-1.15) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 158:sc= 0.0464 USER MOD Single : A 85 GLN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 86 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.52) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -112:sc= -0.0769 (180deg=-1.08) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 48:sc= 0.136 USER MOD Single : A 103 GLN : amide:sc= 0.906 K(o=0.91,f=-5.3!) USER MOD Single : A 104 ASN : amide:sc=-0.00149 X(o=-0.0015,f=-0.26) USER MOD Single : A 107 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.8!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.962 40.373 -3.304 1.00 40.33 N ATOM 2 CA GLY A 1 12.081 40.470 -4.453 1.00 64.15 C ATOM 3 C GLY A 1 11.168 39.267 -4.586 1.00 51.13 C ATOM 4 O GLY A 1 11.478 38.322 -5.309 1.00 72.34 O ATOM 0 H1 GLY A 1 13.566 41.219 -3.257 1.00 40.33 H new ATOM 0 H2 GLY A 1 12.394 40.304 -2.436 1.00 40.33 H new ATOM 0 H3 GLY A 1 13.559 39.526 -3.395 1.00 40.33 H new ATOM 0 HA2 GLY A 1 11.477 41.373 -4.369 1.00 64.15 H new ATOM 0 HA3 GLY A 1 12.679 40.570 -5.359 1.00 64.15 H new ATOM 8 N SER A 2 10.039 39.301 -3.883 1.00 14.35 N ATOM 9 CA SER A 2 9.082 38.203 -3.921 1.00 33.12 C ATOM 10 C SER A 2 7.727 38.646 -3.378 1.00 33.21 C ATOM 11 O SER A 2 7.610 39.052 -2.222 1.00 21.34 O ATOM 12 CB SER A 2 9.604 37.014 -3.112 1.00 1.53 C ATOM 13 OG SER A 2 9.548 37.280 -1.722 1.00 71.31 O ATOM 0 H SER A 2 9.766 40.078 -3.281 1.00 14.35 H new ATOM 0 HA SER A 2 8.957 37.899 -4.960 1.00 33.12 H new ATOM 0 HB2 SER A 2 9.013 36.127 -3.340 1.00 1.53 H new ATOM 0 HB3 SER A 2 10.632 36.795 -3.403 1.00 1.53 H new ATOM 0 HG SER A 2 8.911 38.005 -1.553 1.00 71.31 H new ATOM 19 N SER A 3 6.703 38.563 -4.222 1.00 51.21 N ATOM 20 CA SER A 3 5.355 38.957 -3.829 1.00 21.30 C ATOM 21 C SER A 3 4.935 38.254 -2.542 1.00 32.13 C ATOM 22 O SER A 3 4.909 38.859 -1.471 1.00 31.52 O ATOM 23 CB SER A 3 4.360 38.636 -4.946 1.00 24.13 C ATOM 24 OG SER A 3 3.797 39.819 -5.486 1.00 32.01 O ATOM 0 H SER A 3 6.781 38.227 -5.182 1.00 51.21 H new ATOM 0 HA SER A 3 5.357 40.032 -3.651 1.00 21.30 H new ATOM 0 HB2 SER A 3 4.863 38.076 -5.735 1.00 24.13 H new ATOM 0 HB3 SER A 3 3.567 37.997 -4.558 1.00 24.13 H new ATOM 0 HG SER A 3 3.166 39.585 -6.199 1.00 32.01 H new ATOM 30 N GLY A 4 4.607 36.971 -2.657 1.00 53.22 N ATOM 31 CA GLY A 4 4.193 36.205 -1.494 1.00 15.02 C ATOM 32 C GLY A 4 2.999 35.316 -1.782 1.00 15.31 C ATOM 33 O GLY A 4 1.902 35.559 -1.281 1.00 72.42 O ATOM 0 H GLY A 4 4.620 36.448 -3.533 1.00 53.22 H new ATOM 0 HA2 GLY A 4 5.026 35.591 -1.152 1.00 15.02 H new ATOM 0 HA3 GLY A 4 3.946 36.888 -0.681 1.00 15.02 H new ATOM 37 N SER A 5 3.213 34.284 -2.591 1.00 32.53 N ATOM 38 CA SER A 5 2.144 33.360 -2.950 1.00 53.15 C ATOM 39 C SER A 5 2.632 31.915 -2.887 1.00 15.13 C ATOM 40 O SER A 5 3.052 31.345 -3.895 1.00 60.44 O ATOM 41 CB SER A 5 1.618 33.671 -4.352 1.00 4.25 C ATOM 42 OG SER A 5 0.279 33.232 -4.504 1.00 5.14 O ATOM 0 H SER A 5 4.117 34.067 -3.010 1.00 32.53 H new ATOM 0 HA SER A 5 1.334 33.485 -2.231 1.00 53.15 H new ATOM 0 HB2 SER A 5 1.675 34.744 -4.535 1.00 4.25 H new ATOM 0 HB3 SER A 5 2.250 33.186 -5.096 1.00 4.25 H new ATOM 0 HG SER A 5 -0.034 33.444 -5.408 1.00 5.14 H new ATOM 48 N SER A 6 2.576 31.328 -1.696 1.00 42.05 N ATOM 49 CA SER A 6 3.015 29.952 -1.499 1.00 72.02 C ATOM 50 C SER A 6 2.187 29.266 -0.416 1.00 61.40 C ATOM 51 O SER A 6 2.538 29.296 0.762 1.00 50.11 O ATOM 52 CB SER A 6 4.496 29.916 -1.122 1.00 32.44 C ATOM 53 OG SER A 6 5.215 29.029 -1.961 1.00 33.01 O ATOM 0 H SER A 6 2.230 31.785 -0.852 1.00 42.05 H new ATOM 0 HA SER A 6 2.872 29.414 -2.436 1.00 72.02 H new ATOM 0 HB2 SER A 6 4.919 30.918 -1.200 1.00 32.44 H new ATOM 0 HB3 SER A 6 4.602 29.605 -0.083 1.00 32.44 H new ATOM 0 HG SER A 6 6.160 29.026 -1.700 1.00 33.01 H new ATOM 59 N GLY A 7 1.082 28.649 -0.827 1.00 41.20 N ATOM 60 CA GLY A 7 0.220 27.966 0.119 1.00 61.12 C ATOM 61 C GLY A 7 0.820 26.666 0.616 1.00 21.02 C ATOM 62 O GLY A 7 1.512 26.643 1.634 1.00 71.10 O ATOM 0 H GLY A 7 0.770 28.611 -1.797 1.00 41.20 H new ATOM 0 HA2 GLY A 7 0.026 28.621 0.968 1.00 61.12 H new ATOM 0 HA3 GLY A 7 -0.742 27.762 -0.352 1.00 61.12 H new ATOM 66 N GLU A 8 0.555 25.579 -0.103 1.00 61.22 N ATOM 67 CA GLU A 8 1.073 24.269 0.273 1.00 60.05 C ATOM 68 C GLU A 8 1.712 23.573 -0.924 1.00 33.22 C ATOM 69 O GLU A 8 1.328 23.783 -2.076 1.00 2.34 O ATOM 70 CB GLU A 8 -0.048 23.398 0.845 1.00 54.11 C ATOM 71 CG GLU A 8 0.010 23.246 2.356 1.00 15.24 C ATOM 72 CD GLU A 8 -0.979 24.143 3.072 1.00 62.31 C ATOM 73 OE1 GLU A 8 -1.255 25.248 2.559 1.00 43.33 O ATOM 74 OE2 GLU A 8 -1.478 23.742 4.144 1.00 13.12 O ATOM 0 H GLU A 8 -0.015 25.580 -0.949 1.00 61.22 H new ATOM 0 HA GLU A 8 1.837 24.414 1.037 1.00 60.05 H new ATOM 0 HB2 GLU A 8 -1.010 23.830 0.568 1.00 54.11 H new ATOM 0 HB3 GLU A 8 0.001 22.410 0.387 1.00 54.11 H new ATOM 0 HG2 GLU A 8 -0.190 22.208 2.621 1.00 15.24 H new ATOM 0 HG3 GLU A 8 1.018 23.475 2.702 1.00 15.24 H new ATOM 82 N PRO A 9 2.712 22.721 -0.648 1.00 22.54 N ATOM 83 CA PRO A 9 3.427 21.976 -1.690 1.00 63.11 C ATOM 84 C PRO A 9 2.558 20.900 -2.333 1.00 11.22 C ATOM 85 O PRO A 9 1.840 20.176 -1.644 1.00 62.11 O ATOM 86 CB PRO A 9 4.593 21.339 -0.932 1.00 31.10 C ATOM 87 CG PRO A 9 4.119 21.235 0.477 1.00 63.21 C ATOM 88 CD PRO A 9 3.222 22.422 0.699 1.00 51.11 C ATOM 0 HA PRO A 9 3.736 22.620 -2.513 1.00 63.11 H new ATOM 0 HB2 PRO A 9 4.841 20.359 -1.339 1.00 31.10 H new ATOM 0 HB3 PRO A 9 5.492 21.951 -1.003 1.00 31.10 H new ATOM 0 HG2 PRO A 9 3.580 20.302 0.640 1.00 63.21 H new ATOM 0 HG3 PRO A 9 4.958 21.244 1.173 1.00 63.21 H new ATOM 0 HD2 PRO A 9 2.414 22.190 1.392 1.00 51.11 H new ATOM 0 HD3 PRO A 9 3.769 23.266 1.118 1.00 51.11 H new ATOM 96 N ALA A 10 2.628 20.803 -3.655 1.00 24.24 N ATOM 97 CA ALA A 10 1.849 19.814 -4.391 1.00 34.31 C ATOM 98 C ALA A 10 2.267 18.396 -4.015 1.00 23.14 C ATOM 99 O ALA A 10 1.622 17.425 -4.408 1.00 22.15 O ATOM 100 CB ALA A 10 2.000 20.031 -5.890 1.00 31.10 C ATOM 0 H ALA A 10 3.216 21.397 -4.240 1.00 24.24 H new ATOM 0 HA ALA A 10 0.800 19.940 -4.121 1.00 34.31 H new ATOM 0 HB1 ALA A 10 1.413 19.286 -6.427 1.00 31.10 H new ATOM 0 HB2 ALA A 10 1.646 21.028 -6.151 1.00 31.10 H new ATOM 0 HB3 ALA A 10 3.050 19.935 -6.168 1.00 31.10 H new ATOM 106 N GLU A 11 3.352 18.286 -3.254 1.00 22.00 N ATOM 107 CA GLU A 11 3.856 16.986 -2.828 1.00 14.21 C ATOM 108 C GLU A 11 3.117 16.496 -1.586 1.00 74.23 C ATOM 109 O GLU A 11 2.901 15.297 -1.412 1.00 75.51 O ATOM 110 CB GLU A 11 5.357 17.065 -2.542 1.00 13.13 C ATOM 111 CG GLU A 11 6.222 16.886 -3.779 1.00 3.13 C ATOM 112 CD GLU A 11 6.377 18.171 -4.573 1.00 73.43 C ATOM 113 OE1 GLU A 11 7.495 18.431 -5.065 1.00 23.24 O ATOM 114 OE2 GLU A 11 5.381 18.912 -4.702 1.00 13.01 O ATOM 0 H GLU A 11 3.898 19.081 -2.921 1.00 22.00 H new ATOM 0 HA GLU A 11 3.684 16.276 -3.637 1.00 14.21 H new ATOM 0 HB2 GLU A 11 5.582 18.030 -2.088 1.00 13.13 H new ATOM 0 HB3 GLU A 11 5.620 16.300 -1.811 1.00 13.13 H new ATOM 0 HG2 GLU A 11 7.207 16.527 -3.480 1.00 3.13 H new ATOM 0 HG3 GLU A 11 5.783 16.119 -4.417 1.00 3.13 H new ATOM 122 N ILE A 12 2.732 17.433 -0.725 1.00 35.53 N ATOM 123 CA ILE A 12 2.017 17.098 0.500 1.00 72.41 C ATOM 124 C ILE A 12 0.553 16.780 0.211 1.00 53.32 C ATOM 125 O ILE A 12 0.070 15.690 0.518 1.00 14.15 O ATOM 126 CB ILE A 12 2.090 18.242 1.527 1.00 24.03 C ATOM 127 CG1 ILE A 12 3.493 18.323 2.134 1.00 60.10 C ATOM 128 CG2 ILE A 12 1.046 18.045 2.615 1.00 62.20 C ATOM 129 CD1 ILE A 12 3.718 19.564 2.968 1.00 33.42 C ATOM 0 H ILE A 12 2.904 18.430 -0.854 1.00 35.53 H new ATOM 0 HA ILE A 12 2.503 16.216 0.918 1.00 72.41 H new ATOM 0 HB ILE A 12 1.881 19.182 1.017 1.00 24.03 H new ATOM 0 HG12 ILE A 12 3.664 17.443 2.753 1.00 60.10 H new ATOM 0 HG13 ILE A 12 4.230 18.296 1.331 1.00 60.10 H new ATOM 0 HG21 ILE A 12 1.111 18.862 3.333 1.00 62.20 H new ATOM 0 HG22 ILE A 12 0.052 18.033 2.168 1.00 62.20 H new ATOM 0 HG23 ILE A 12 1.226 17.099 3.125 1.00 62.20 H new ATOM 0 HD11 ILE A 12 4.732 19.555 3.367 1.00 33.42 H new ATOM 0 HD12 ILE A 12 3.579 20.449 2.348 1.00 33.42 H new ATOM 0 HD13 ILE A 12 3.005 19.583 3.792 1.00 33.42 H new ATOM 141 N LYS A 13 -0.149 17.740 -0.380 1.00 45.21 N ATOM 142 CA LYS A 13 -1.557 17.565 -0.712 1.00 24.42 C ATOM 143 C LYS A 13 -1.823 16.154 -1.227 1.00 44.32 C ATOM 144 O LYS A 13 -2.861 15.561 -0.931 1.00 52.02 O ATOM 145 CB LYS A 13 -1.987 18.592 -1.764 1.00 13.15 C ATOM 146 CG LYS A 13 -0.952 18.816 -2.853 1.00 11.51 C ATOM 147 CD LYS A 13 -1.555 19.513 -4.061 1.00 51.44 C ATOM 148 CE LYS A 13 -1.527 21.026 -3.902 1.00 31.15 C ATOM 149 NZ LYS A 13 -0.900 21.694 -5.075 1.00 31.44 N ATOM 0 H LYS A 13 0.235 18.649 -0.639 1.00 45.21 H new ATOM 0 HA LYS A 13 -2.140 17.718 0.196 1.00 24.42 H new ATOM 0 HB2 LYS A 13 -2.919 18.262 -2.222 1.00 13.15 H new ATOM 0 HB3 LYS A 13 -2.194 19.541 -1.270 1.00 13.15 H new ATOM 0 HG2 LYS A 13 -0.131 19.415 -2.458 1.00 11.51 H new ATOM 0 HG3 LYS A 13 -0.530 17.858 -3.158 1.00 11.51 H new ATOM 0 HD2 LYS A 13 -1.005 19.230 -4.958 1.00 51.44 H new ATOM 0 HD3 LYS A 13 -2.583 19.179 -4.199 1.00 51.44 H new ATOM 0 HE2 LYS A 13 -2.544 21.397 -3.773 1.00 31.15 H new ATOM 0 HE3 LYS A 13 -0.976 21.286 -2.998 1.00 31.15 H new ATOM 0 HZ1 LYS A 13 -1.376 22.601 -5.254 1.00 31.44 H new ATOM 0 HZ2 LYS A 13 0.107 21.864 -4.880 1.00 31.44 H new ATOM 0 HZ3 LYS A 13 -0.992 21.084 -5.912 1.00 31.44 H new ATOM 163 N ILE A 14 -0.880 15.622 -1.996 1.00 21.44 N ATOM 164 CA ILE A 14 -1.012 14.280 -2.549 1.00 61.53 C ATOM 165 C ILE A 14 -0.935 13.224 -1.453 1.00 44.43 C ATOM 166 O ILE A 14 -1.705 12.262 -1.447 1.00 44.41 O ATOM 167 CB ILE A 14 0.078 13.994 -3.598 1.00 30.44 C ATOM 168 CG1 ILE A 14 -0.145 14.851 -4.845 1.00 65.51 C ATOM 169 CG2 ILE A 14 0.089 12.516 -3.962 1.00 2.42 C ATOM 170 CD1 ILE A 14 1.045 14.884 -5.779 1.00 71.33 C ATOM 0 H ILE A 14 -0.016 16.100 -2.251 1.00 21.44 H new ATOM 0 HA ILE A 14 -1.989 14.232 -3.029 1.00 61.53 H new ATOM 0 HB ILE A 14 1.047 14.251 -3.171 1.00 30.44 H new ATOM 0 HG12 ILE A 14 -1.011 14.471 -5.387 1.00 65.51 H new ATOM 0 HG13 ILE A 14 -0.383 15.869 -4.538 1.00 65.51 H new ATOM 0 HG21 ILE A 14 0.865 12.330 -4.705 1.00 2.42 H new ATOM 0 HG22 ILE A 14 0.291 11.923 -3.070 1.00 2.42 H new ATOM 0 HG23 ILE A 14 -0.881 12.235 -4.373 1.00 2.42 H new ATOM 0 HD11 ILE A 14 0.814 15.511 -6.641 1.00 71.33 H new ATOM 0 HD12 ILE A 14 1.908 15.293 -5.254 1.00 71.33 H new ATOM 0 HD13 ILE A 14 1.271 13.872 -6.116 1.00 71.33 H new ATOM 182 N ILE A 15 -0.004 13.410 -0.523 1.00 34.25 N ATOM 183 CA ILE A 15 0.172 12.475 0.581 1.00 62.11 C ATOM 184 C ILE A 15 -1.101 12.362 1.412 1.00 62.21 C ATOM 185 O ILE A 15 -1.443 11.284 1.900 1.00 75.42 O ATOM 186 CB ILE A 15 1.334 12.898 1.498 1.00 44.20 C ATOM 187 CG1 ILE A 15 2.645 12.943 0.710 1.00 73.52 C ATOM 188 CG2 ILE A 15 1.452 11.945 2.679 1.00 61.33 C ATOM 189 CD1 ILE A 15 3.769 13.637 1.444 1.00 13.34 C ATOM 0 H ILE A 15 0.640 14.201 -0.512 1.00 34.25 H new ATOM 0 HA ILE A 15 0.403 11.506 0.140 1.00 62.11 H new ATOM 0 HB ILE A 15 1.128 13.897 1.882 1.00 44.20 H new ATOM 0 HG12 ILE A 15 2.952 11.924 0.473 1.00 73.52 H new ATOM 0 HG13 ILE A 15 2.472 13.453 -0.238 1.00 73.52 H new ATOM 0 HG21 ILE A 15 2.278 12.258 3.318 1.00 61.33 H new ATOM 0 HG22 ILE A 15 0.525 11.959 3.252 1.00 61.33 H new ATOM 0 HG23 ILE A 15 1.638 10.935 2.314 1.00 61.33 H new ATOM 0 HD11 ILE A 15 4.666 13.631 0.825 1.00 13.34 H new ATOM 0 HD12 ILE A 15 3.483 14.667 1.658 1.00 13.34 H new ATOM 0 HD13 ILE A 15 3.970 13.115 2.379 1.00 13.34 H new ATOM 201 N ARG A 16 -1.801 13.481 1.568 1.00 53.55 N ATOM 202 CA ARG A 16 -3.038 13.507 2.340 1.00 5.10 C ATOM 203 C ARG A 16 -4.080 12.574 1.731 1.00 72.20 C ATOM 204 O ARG A 16 -4.402 11.532 2.300 1.00 21.44 O ATOM 205 CB ARG A 16 -3.591 14.931 2.409 1.00 23.21 C ATOM 206 CG ARG A 16 -2.854 15.826 3.392 1.00 60.05 C ATOM 207 CD ARG A 16 -3.818 16.547 4.320 1.00 54.25 C ATOM 208 NE ARG A 16 -3.326 17.867 4.702 1.00 40.23 N ATOM 209 CZ ARG A 16 -3.925 18.644 5.598 1.00 10.02 C ATOM 210 NH1 ARG A 16 -5.034 18.235 6.199 1.00 71.10 N ATOM 211 NH2 ARG A 16 -3.416 19.834 5.893 1.00 71.51 N ATOM 0 H ARG A 16 -1.533 14.381 1.170 1.00 53.55 H new ATOM 0 HA ARG A 16 -2.814 13.162 3.349 1.00 5.10 H new ATOM 0 HB2 ARG A 16 -3.542 15.379 1.416 1.00 23.21 H new ATOM 0 HB3 ARG A 16 -4.644 14.889 2.688 1.00 23.21 H new ATOM 0 HG2 ARG A 16 -2.160 15.227 3.981 1.00 60.05 H new ATOM 0 HG3 ARG A 16 -2.259 16.557 2.845 1.00 60.05 H new ATOM 0 HD2 ARG A 16 -4.786 16.649 3.829 1.00 54.25 H new ATOM 0 HD3 ARG A 16 -3.977 15.946 5.216 1.00 54.25 H new ATOM 0 HE ARG A 16 -2.476 18.212 4.257 1.00 40.23 H new ATOM 0 HH11 ARG A 16 -5.429 17.322 5.974 1.00 71.10 H new ATOM 0 HH12 ARG A 16 -5.492 18.833 6.887 1.00 71.10 H new ATOM 0 HH21 ARG A 16 -2.564 20.153 5.432 1.00 71.51 H new ATOM 0 HH22 ARG A 16 -3.877 20.429 6.581 1.00 71.51 H new ATOM 225 N GLU A 17 -4.602 12.956 0.569 1.00 1.04 N ATOM 226 CA GLU A 17 -5.608 12.153 -0.117 1.00 41.51 C ATOM 227 C GLU A 17 -5.205 10.682 -0.142 1.00 60.02 C ATOM 228 O GLU A 17 -5.963 9.813 0.288 1.00 33.21 O ATOM 229 CB GLU A 17 -5.811 12.662 -1.545 1.00 31.35 C ATOM 230 CG GLU A 17 -7.123 12.217 -2.169 1.00 51.21 C ATOM 231 CD GLU A 17 -6.974 11.831 -3.627 1.00 70.54 C ATOM 232 OE1 GLU A 17 -6.230 12.525 -4.351 1.00 74.34 O ATOM 233 OE2 GLU A 17 -7.601 10.835 -4.045 1.00 61.45 O ATOM 0 H GLU A 17 -4.345 13.816 0.084 1.00 1.04 H new ATOM 0 HA GLU A 17 -6.546 12.246 0.431 1.00 41.51 H new ATOM 0 HB2 GLU A 17 -5.771 13.751 -1.543 1.00 31.35 H new ATOM 0 HB3 GLU A 17 -4.986 12.314 -2.167 1.00 31.35 H new ATOM 0 HG2 GLU A 17 -7.517 11.368 -1.611 1.00 51.21 H new ATOM 0 HG3 GLU A 17 -7.853 13.022 -2.083 1.00 51.21 H new ATOM 241 N ALA A 18 -4.008 10.411 -0.650 1.00 13.01 N ATOM 242 CA ALA A 18 -3.503 9.045 -0.730 1.00 3.30 C ATOM 243 C ALA A 18 -3.455 8.396 0.649 1.00 13.34 C ATOM 244 O ALA A 18 -3.830 7.235 0.813 1.00 65.11 O ATOM 245 CB ALA A 18 -2.123 9.029 -1.372 1.00 24.31 C ATOM 0 H ALA A 18 -3.369 11.119 -1.013 1.00 13.01 H new ATOM 0 HA ALA A 18 -4.187 8.467 -1.351 1.00 3.30 H new ATOM 0 HB1 ALA A 18 -1.758 8.003 -1.425 1.00 24.31 H new ATOM 0 HB2 ALA A 18 -2.185 9.445 -2.378 1.00 24.31 H new ATOM 0 HB3 ALA A 18 -1.436 9.628 -0.773 1.00 24.31 H new ATOM 251 N TYR A 19 -2.988 9.151 1.638 1.00 24.03 N ATOM 252 CA TYR A 19 -2.887 8.648 3.002 1.00 31.54 C ATOM 253 C TYR A 19 -4.243 8.163 3.505 1.00 73.00 C ATOM 254 O TYR A 19 -4.330 7.171 4.229 1.00 62.23 O ATOM 255 CB TYR A 19 -2.347 9.736 3.931 1.00 22.05 C ATOM 256 CG TYR A 19 -2.592 9.458 5.397 1.00 10.15 C ATOM 257 CD1 TYR A 19 -1.924 8.430 6.050 1.00 35.14 C ATOM 258 CD2 TYR A 19 -3.492 10.223 6.127 1.00 41.41 C ATOM 259 CE1 TYR A 19 -2.143 8.171 7.389 1.00 64.50 C ATOM 260 CE2 TYR A 19 -3.719 9.972 7.467 1.00 14.44 C ATOM 261 CZ TYR A 19 -3.042 8.946 8.093 1.00 22.00 C ATOM 262 OH TYR A 19 -3.266 8.692 9.427 1.00 14.34 O ATOM 0 H TYR A 19 -2.673 10.114 1.520 1.00 24.03 H new ATOM 0 HA TYR A 19 -2.196 7.805 3.001 1.00 31.54 H new ATOM 0 HB2 TYR A 19 -1.275 9.845 3.765 1.00 22.05 H new ATOM 0 HB3 TYR A 19 -2.808 10.688 3.668 1.00 22.05 H new ATOM 0 HD1 TYR A 19 -1.220 7.822 5.501 1.00 35.14 H new ATOM 0 HD2 TYR A 19 -4.023 11.027 5.640 1.00 41.41 H new ATOM 0 HE1 TYR A 19 -1.615 7.368 7.881 1.00 64.50 H new ATOM 0 HE2 TYR A 19 -4.423 10.576 8.021 1.00 14.44 H new ATOM 0 HH TYR A 19 -3.926 9.328 9.775 1.00 14.34 H new ATOM 272 N LYS A 20 -5.299 8.867 3.114 1.00 63.12 N ATOM 273 CA LYS A 20 -6.652 8.510 3.521 1.00 41.44 C ATOM 274 C LYS A 20 -7.163 7.315 2.724 1.00 33.54 C ATOM 275 O LYS A 20 -7.409 6.244 3.278 1.00 31.13 O ATOM 276 CB LYS A 20 -7.596 9.701 3.337 1.00 11.34 C ATOM 277 CG LYS A 20 -8.373 10.060 4.590 1.00 44.55 C ATOM 278 CD LYS A 20 -9.736 10.643 4.252 1.00 62.13 C ATOM 279 CE LYS A 20 -10.794 9.556 4.135 1.00 41.30 C ATOM 280 NZ LYS A 20 -12.077 10.086 3.596 1.00 4.02 N ATOM 0 H LYS A 20 -5.243 9.690 2.514 1.00 63.12 H new ATOM 0 HA LYS A 20 -6.625 8.236 4.576 1.00 41.44 H new ATOM 0 HB2 LYS A 20 -7.016 10.567 3.018 1.00 11.34 H new ATOM 0 HB3 LYS A 20 -8.299 9.476 2.535 1.00 11.34 H new ATOM 0 HG2 LYS A 20 -8.499 9.171 5.208 1.00 44.55 H new ATOM 0 HG3 LYS A 20 -7.804 10.780 5.179 1.00 44.55 H new ATOM 0 HD2 LYS A 20 -10.029 11.356 5.023 1.00 62.13 H new ATOM 0 HD3 LYS A 20 -9.674 11.195 3.314 1.00 62.13 H new ATOM 0 HE2 LYS A 20 -10.428 8.761 3.485 1.00 41.30 H new ATOM 0 HE3 LYS A 20 -10.968 9.112 5.115 1.00 41.30 H new ATOM 0 HZ1 LYS A 20 -12.772 9.315 3.532 1.00 4.02 H new ATOM 0 HZ2 LYS A 20 -12.440 10.827 4.229 1.00 4.02 H new ATOM 0 HZ3 LYS A 20 -11.917 10.487 2.650 1.00 4.02 H new ATOM 294 N LYS A 21 -7.318 7.505 1.418 1.00 64.04 N ATOM 295 CA LYS A 21 -7.798 6.443 0.541 1.00 0.12 C ATOM 296 C LYS A 21 -7.023 5.151 0.778 1.00 31.23 C ATOM 297 O LYS A 21 -7.571 4.056 0.662 1.00 24.53 O ATOM 298 CB LYS A 21 -7.670 6.865 -0.924 1.00 25.23 C ATOM 299 CG LYS A 21 -8.120 8.293 -1.188 1.00 42.21 C ATOM 300 CD LYS A 21 -9.093 8.364 -2.352 1.00 42.52 C ATOM 301 CE LYS A 21 -10.536 8.404 -1.872 1.00 3.32 C ATOM 302 NZ LYS A 21 -11.469 7.812 -2.868 1.00 72.32 N ATOM 0 H LYS A 21 -7.118 8.385 0.943 1.00 64.04 H new ATOM 0 HA LYS A 21 -8.849 6.264 0.770 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -6.631 6.757 -1.235 1.00 25.23 H new ATOM 0 HB3 LYS A 21 -8.259 6.187 -1.541 1.00 25.23 H new ATOM 0 HG2 LYS A 21 -8.592 8.698 -0.293 1.00 42.21 H new ATOM 0 HG3 LYS A 21 -7.251 8.916 -1.400 1.00 42.21 H new ATOM 0 HD2 LYS A 21 -8.883 9.251 -2.950 1.00 42.52 H new ATOM 0 HD3 LYS A 21 -8.948 7.501 -3.001 1.00 42.52 H new ATOM 0 HE2 LYS A 21 -10.620 7.863 -0.930 1.00 3.32 H new ATOM 0 HE3 LYS A 21 -10.824 9.436 -1.674 1.00 3.32 H new ATOM 0 HZ1 LYS A 21 -12.442 7.859 -2.503 1.00 72.32 H new ATOM 0 HZ2 LYS A 21 -11.408 8.344 -3.760 1.00 72.32 H new ATOM 0 HZ3 LYS A 21 -11.210 6.819 -3.039 1.00 72.32 H new ATOM 316 N ALA A 22 -5.744 5.287 1.111 1.00 15.23 N ATOM 317 CA ALA A 22 -4.894 4.130 1.368 1.00 65.20 C ATOM 318 C ALA A 22 -5.321 3.406 2.640 1.00 43.15 C ATOM 319 O ALA A 22 -5.526 2.192 2.636 1.00 3.25 O ATOM 320 CB ALA A 22 -3.437 4.557 1.466 1.00 5.21 C ATOM 0 H ALA A 22 -5.273 6.186 1.209 1.00 15.23 H new ATOM 0 HA ALA A 22 -5.004 3.438 0.533 1.00 65.20 H new ATOM 0 HB1 ALA A 22 -2.814 3.683 1.658 1.00 5.21 H new ATOM 0 HB2 ALA A 22 -3.130 5.023 0.529 1.00 5.21 H new ATOM 0 HB3 ALA A 22 -3.321 5.271 2.281 1.00 5.21 H new ATOM 326 N PHE A 23 -5.453 4.158 3.727 1.00 41.24 N ATOM 327 CA PHE A 23 -5.856 3.589 5.008 1.00 74.23 C ATOM 328 C PHE A 23 -7.366 3.375 5.058 1.00 61.02 C ATOM 329 O PHE A 23 -7.882 2.719 5.964 1.00 13.31 O ATOM 330 CB PHE A 23 -5.419 4.500 6.156 1.00 54.23 C ATOM 331 CG PHE A 23 -4.268 3.953 6.950 1.00 33.03 C ATOM 332 CD1 PHE A 23 -4.470 2.963 7.898 1.00 1.11 C ATOM 333 CD2 PHE A 23 -2.982 4.430 6.749 1.00 22.30 C ATOM 334 CE1 PHE A 23 -3.412 2.458 8.630 1.00 11.33 C ATOM 335 CE2 PHE A 23 -1.920 3.929 7.478 1.00 11.23 C ATOM 336 CZ PHE A 23 -2.134 2.943 8.421 1.00 62.53 C ATOM 0 H PHE A 23 -5.287 5.164 3.747 1.00 41.24 H new ATOM 0 HA PHE A 23 -5.367 2.621 5.117 1.00 74.23 H new ATOM 0 HB2 PHE A 23 -5.141 5.473 5.751 1.00 54.23 H new ATOM 0 HB3 PHE A 23 -6.266 4.662 6.823 1.00 54.23 H new ATOM 0 HD1 PHE A 23 -5.466 2.581 8.067 1.00 1.11 H new ATOM 0 HD2 PHE A 23 -2.808 5.202 6.014 1.00 22.30 H new ATOM 0 HE1 PHE A 23 -3.583 1.685 9.365 1.00 11.33 H new ATOM 0 HE2 PHE A 23 -0.923 4.309 7.310 1.00 11.23 H new ATOM 0 HZ PHE A 23 -1.306 2.552 8.993 1.00 62.53 H new ATOM 346 N LEU A 24 -8.069 3.934 4.080 1.00 34.42 N ATOM 347 CA LEU A 24 -9.521 3.807 4.011 1.00 11.32 C ATOM 348 C LEU A 24 -9.925 2.406 3.564 1.00 11.25 C ATOM 349 O LEU A 24 -10.646 1.702 4.270 1.00 32.41 O ATOM 350 CB LEU A 24 -10.099 4.848 3.051 1.00 22.43 C ATOM 351 CG LEU A 24 -11.237 4.369 2.148 1.00 43.12 C ATOM 352 CD1 LEU A 24 -12.411 3.881 2.983 1.00 15.32 C ATOM 353 CD2 LEU A 24 -11.675 5.482 1.208 1.00 43.01 C ATOM 0 H LEU A 24 -7.657 4.480 3.323 1.00 34.42 H new ATOM 0 HA LEU A 24 -9.924 3.980 5.009 1.00 11.32 H new ATOM 0 HB2 LEU A 24 -10.458 5.694 3.637 1.00 22.43 H new ATOM 0 HB3 LEU A 24 -9.292 5.218 2.419 1.00 22.43 H new ATOM 0 HG LEU A 24 -10.873 3.535 1.548 1.00 43.12 H new ATOM 0 HD11 LEU A 24 -13.211 3.544 2.324 1.00 15.32 H new ATOM 0 HD12 LEU A 24 -12.089 3.053 3.615 1.00 15.32 H new ATOM 0 HD13 LEU A 24 -12.775 4.695 3.609 1.00 15.32 H new ATOM 0 HD21 LEU A 24 -12.485 5.124 0.573 1.00 43.01 H new ATOM 0 HD22 LEU A 24 -12.021 6.336 1.791 1.00 43.01 H new ATOM 0 HD23 LEU A 24 -10.833 5.785 0.586 1.00 43.01 H new ATOM 365 N PHE A 25 -9.451 2.006 2.388 1.00 3.13 N ATOM 366 CA PHE A 25 -9.762 0.689 1.846 1.00 14.31 C ATOM 367 C PHE A 25 -9.097 -0.408 2.672 1.00 50.43 C ATOM 368 O PHE A 25 -9.591 -1.535 2.742 1.00 24.14 O ATOM 369 CB PHE A 25 -9.306 0.592 0.389 1.00 5.34 C ATOM 370 CG PHE A 25 -10.200 1.328 -0.567 1.00 20.34 C ATOM 371 CD1 PHE A 25 -11.413 0.786 -0.960 1.00 64.34 C ATOM 372 CD2 PHE A 25 -9.827 2.563 -1.075 1.00 30.04 C ATOM 373 CE1 PHE A 25 -12.237 1.462 -1.843 1.00 54.42 C ATOM 374 CE2 PHE A 25 -10.646 3.243 -1.956 1.00 42.31 C ATOM 375 CZ PHE A 25 -11.853 2.692 -2.338 1.00 32.01 C ATOM 0 H PHE A 25 -8.850 2.576 1.793 1.00 3.13 H new ATOM 0 HA PHE A 25 -10.842 0.551 1.891 1.00 14.31 H new ATOM 0 HB2 PHE A 25 -8.294 0.988 0.306 1.00 5.34 H new ATOM 0 HB3 PHE A 25 -9.263 -0.458 0.099 1.00 5.34 H new ATOM 0 HD1 PHE A 25 -11.719 -0.175 -0.573 1.00 64.34 H new ATOM 0 HD2 PHE A 25 -8.884 2.999 -0.778 1.00 30.04 H new ATOM 0 HE1 PHE A 25 -13.179 1.028 -2.144 1.00 54.42 H new ATOM 0 HE2 PHE A 25 -10.343 4.204 -2.345 1.00 42.31 H new ATOM 0 HZ PHE A 25 -12.496 3.223 -3.024 1.00 32.01 H new ATOM 385 N VAL A 26 -7.974 -0.072 3.297 1.00 11.40 N ATOM 386 CA VAL A 26 -7.240 -1.028 4.119 1.00 4.52 C ATOM 387 C VAL A 26 -8.037 -1.410 5.360 1.00 72.24 C ATOM 388 O VAL A 26 -8.143 -2.587 5.703 1.00 40.23 O ATOM 389 CB VAL A 26 -5.875 -0.462 4.554 1.00 35.21 C ATOM 390 CG1 VAL A 26 -5.451 -1.055 5.890 1.00 24.15 C ATOM 391 CG2 VAL A 26 -4.823 -0.729 3.487 1.00 23.41 C ATOM 0 H VAL A 26 -7.552 0.855 3.250 1.00 11.40 H new ATOM 0 HA VAL A 26 -7.079 -1.915 3.506 1.00 4.52 H new ATOM 0 HB VAL A 26 -5.972 0.617 4.676 1.00 35.21 H new ATOM 0 HG11 VAL A 26 -4.485 -0.643 6.181 1.00 24.15 H new ATOM 0 HG12 VAL A 26 -6.193 -0.809 6.649 1.00 24.15 H new ATOM 0 HG13 VAL A 26 -5.371 -2.138 5.798 1.00 24.15 H new ATOM 0 HG21 VAL A 26 -3.865 -0.322 3.811 1.00 23.41 H new ATOM 0 HG22 VAL A 26 -4.727 -1.804 3.331 1.00 23.41 H new ATOM 0 HG23 VAL A 26 -5.122 -0.252 2.554 1.00 23.41 H new ATOM 401 N ASN A 27 -8.596 -0.408 6.031 1.00 23.04 N ATOM 402 CA ASN A 27 -9.385 -0.639 7.235 1.00 55.20 C ATOM 403 C ASN A 27 -10.544 -1.590 6.952 1.00 74.32 C ATOM 404 O ASN A 27 -11.012 -2.299 7.843 1.00 72.34 O ATOM 405 CB ASN A 27 -9.920 0.685 7.782 1.00 41.11 C ATOM 406 CG ASN A 27 -9.510 0.923 9.223 1.00 70.03 C ATOM 407 OD1 ASN A 27 -9.193 -0.016 9.952 1.00 10.21 O ATOM 408 ND2 ASN A 27 -9.514 2.184 9.638 1.00 0.54 N ATOM 0 H ASN A 27 -8.517 0.572 5.761 1.00 23.04 H new ATOM 0 HA ASN A 27 -8.736 -1.097 7.981 1.00 55.20 H new ATOM 0 HB2 ASN A 27 -9.555 1.505 7.163 1.00 41.11 H new ATOM 0 HB3 ASN A 27 -11.008 0.692 7.711 1.00 41.11 H new ATOM 0 HD21 ASN A 27 -9.247 2.406 10.597 1.00 0.54 H new ATOM 0 HD22 ASN A 27 -9.784 2.931 8.998 1.00 0.54 H new ATOM 415 N LYS A 28 -11.001 -1.601 5.705 1.00 62.54 N ATOM 416 CA LYS A 28 -12.104 -2.465 5.301 1.00 60.43 C ATOM 417 C LYS A 28 -11.616 -3.888 5.046 1.00 20.31 C ATOM 418 O LYS A 28 -12.105 -4.840 5.653 1.00 71.12 O ATOM 419 CB LYS A 28 -12.778 -1.913 4.043 1.00 21.21 C ATOM 420 CG LYS A 28 -13.827 -0.851 4.329 1.00 75.32 C ATOM 421 CD LYS A 28 -13.419 0.501 3.769 1.00 75.12 C ATOM 422 CE LYS A 28 -14.632 1.350 3.423 1.00 14.34 C ATOM 423 NZ LYS A 28 -15.608 0.604 2.580 1.00 14.44 N ATOM 0 H LYS A 28 -10.624 -1.021 4.956 1.00 62.54 H new ATOM 0 HA LYS A 28 -12.830 -2.489 6.114 1.00 60.43 H new ATOM 0 HB2 LYS A 28 -12.016 -1.491 3.388 1.00 21.21 H new ATOM 0 HB3 LYS A 28 -13.245 -2.735 3.501 1.00 21.21 H new ATOM 0 HG2 LYS A 28 -14.780 -1.153 3.894 1.00 75.32 H new ATOM 0 HG3 LYS A 28 -13.979 -0.769 5.405 1.00 75.32 H new ATOM 0 HD2 LYS A 28 -12.802 1.026 4.498 1.00 75.12 H new ATOM 0 HD3 LYS A 28 -12.808 0.357 2.878 1.00 75.12 H new ATOM 0 HE2 LYS A 28 -15.120 1.677 4.341 1.00 14.34 H new ATOM 0 HE3 LYS A 28 -14.309 2.248 2.896 1.00 14.34 H new ATOM 0 HZ1 LYS A 28 -15.992 1.238 1.850 1.00 14.44 H new ATOM 0 HZ2 LYS A 28 -15.130 -0.200 2.124 1.00 14.44 H new ATOM 0 HZ3 LYS A 28 -16.384 0.252 3.176 1.00 14.44 H new ATOM 437 N GLY A 29 -10.648 -4.024 4.145 1.00 52.55 N ATOM 438 CA GLY A 29 -10.109 -5.334 3.828 1.00 5.42 C ATOM 439 C GLY A 29 -9.795 -6.147 5.068 1.00 65.14 C ATOM 440 O GLY A 29 -10.115 -7.335 5.138 1.00 60.34 O ATOM 0 H GLY A 29 -10.228 -3.251 3.629 1.00 52.55 H new ATOM 0 HA2 GLY A 29 -10.825 -5.879 3.212 1.00 5.42 H new ATOM 0 HA3 GLY A 29 -9.202 -5.217 3.235 1.00 5.42 H new ATOM 444 N LEU A 30 -9.166 -5.510 6.049 1.00 41.02 N ATOM 445 CA LEU A 30 -8.808 -6.182 7.292 1.00 11.53 C ATOM 446 C LEU A 30 -10.036 -6.811 7.946 1.00 12.44 C ATOM 447 O LEU A 30 -10.009 -7.971 8.352 1.00 60.40 O ATOM 448 CB LEU A 30 -8.150 -5.196 8.259 1.00 44.04 C ATOM 449 CG LEU A 30 -6.628 -5.075 8.162 1.00 63.45 C ATOM 450 CD1 LEU A 30 -6.149 -3.805 8.849 1.00 64.42 C ATOM 451 CD2 LEU A 30 -5.958 -6.297 8.769 1.00 13.43 C ATOM 0 H LEU A 30 -8.893 -4.528 6.007 1.00 41.02 H new ATOM 0 HA LEU A 30 -8.099 -6.975 7.054 1.00 11.53 H new ATOM 0 HB2 LEU A 30 -8.584 -4.210 8.093 1.00 44.04 H new ATOM 0 HB3 LEU A 30 -8.407 -5.490 9.277 1.00 44.04 H new ATOM 0 HG LEU A 30 -6.352 -5.020 7.109 1.00 63.45 H new ATOM 0 HD11 LEU A 30 -5.064 -3.736 8.770 1.00 64.42 H new ATOM 0 HD12 LEU A 30 -6.604 -2.938 8.370 1.00 64.42 H new ATOM 0 HD13 LEU A 30 -6.435 -3.830 9.900 1.00 64.42 H new ATOM 0 HD21 LEU A 30 -4.876 -6.195 8.692 1.00 13.43 H new ATOM 0 HD22 LEU A 30 -6.240 -6.383 9.818 1.00 13.43 H new ATOM 0 HD23 LEU A 30 -6.277 -7.191 8.233 1.00 13.43 H new ATOM 463 N ASN A 31 -11.110 -6.034 8.041 1.00 54.10 N ATOM 464 CA ASN A 31 -12.348 -6.513 8.645 1.00 75.25 C ATOM 465 C ASN A 31 -12.874 -7.739 7.902 1.00 65.55 C ATOM 466 O ASN A 31 -13.071 -8.801 8.493 1.00 54.34 O ATOM 467 CB ASN A 31 -13.405 -5.408 8.641 1.00 20.55 C ATOM 468 CG ASN A 31 -14.487 -5.638 9.676 1.00 51.35 C ATOM 469 OD1 ASN A 31 -14.257 -5.483 10.875 1.00 40.43 O ATOM 470 ND2 ASN A 31 -15.676 -6.010 9.217 1.00 73.33 N ATOM 0 H ASN A 31 -11.148 -5.071 7.708 1.00 54.10 H new ATOM 0 HA ASN A 31 -12.135 -6.796 9.676 1.00 75.25 H new ATOM 0 HB2 ASN A 31 -12.924 -4.448 8.830 1.00 20.55 H new ATOM 0 HB3 ASN A 31 -13.859 -5.348 7.652 1.00 20.55 H new ATOM 0 HD21 ASN A 31 -16.443 -6.179 9.867 1.00 73.33 H new ATOM 0 HD22 ASN A 31 -15.822 -6.126 8.214 1.00 73.33 H new ATOM 477 N THR A 32 -13.102 -7.584 6.601 1.00 3.14 N ATOM 478 CA THR A 32 -13.605 -8.674 5.778 1.00 73.12 C ATOM 479 C THR A 32 -12.799 -9.949 5.999 1.00 43.22 C ATOM 480 O THR A 32 -13.362 -11.022 6.219 1.00 42.24 O ATOM 481 CB THR A 32 -13.570 -8.313 4.282 1.00 25.31 C ATOM 482 OG1 THR A 32 -12.633 -7.253 4.056 1.00 43.24 O ATOM 483 CG2 THR A 32 -14.948 -7.890 3.794 1.00 4.41 C ATOM 0 H THR A 32 -12.945 -6.712 6.095 1.00 3.14 H new ATOM 0 HA THR A 32 -14.639 -8.843 6.079 1.00 73.12 H new ATOM 0 HB THR A 32 -13.260 -9.197 3.725 1.00 25.31 H new ATOM 0 HG1 THR A 32 -11.778 -7.477 4.479 1.00 43.24 H new ATOM 0 HG21 THR A 32 -14.898 -7.640 2.734 1.00 4.41 H new ATOM 0 HG22 THR A 32 -15.653 -8.708 3.941 1.00 4.41 H new ATOM 0 HG23 THR A 32 -15.282 -7.018 4.357 1.00 4.41 H new ATOM 491 N ASP A 33 -11.478 -9.825 5.941 1.00 30.51 N ATOM 492 CA ASP A 33 -10.593 -10.967 6.137 1.00 12.23 C ATOM 493 C ASP A 33 -10.914 -11.685 7.444 1.00 42.11 C ATOM 494 O ASP A 33 -10.773 -12.903 7.544 1.00 70.23 O ATOM 495 CB ASP A 33 -9.132 -10.514 6.136 1.00 52.00 C ATOM 496 CG ASP A 33 -8.165 -11.675 6.251 1.00 53.03 C ATOM 497 OD1 ASP A 33 -6.950 -11.424 6.395 1.00 75.33 O ATOM 498 OD2 ASP A 33 -8.623 -12.835 6.200 1.00 52.33 O ATOM 0 H ASP A 33 -10.996 -8.945 5.760 1.00 30.51 H new ATOM 0 HA ASP A 33 -10.750 -11.662 5.312 1.00 12.23 H new ATOM 0 HB2 ASP A 33 -8.926 -9.963 5.218 1.00 52.00 H new ATOM 0 HB3 ASP A 33 -8.968 -9.825 6.965 1.00 52.00 H new ATOM 504 N GLU A 34 -11.343 -10.921 8.443 1.00 2.54 N ATOM 505 CA GLU A 34 -11.681 -11.484 9.745 1.00 64.34 C ATOM 506 C GLU A 34 -13.082 -12.093 9.726 1.00 2.21 C ATOM 507 O GLU A 34 -13.391 -12.990 10.511 1.00 21.42 O ATOM 508 CB GLU A 34 -11.595 -10.409 10.831 1.00 73.43 C ATOM 509 CG GLU A 34 -10.194 -9.852 11.024 1.00 72.33 C ATOM 510 CD GLU A 34 -9.494 -10.445 12.230 1.00 14.21 C ATOM 511 OE1 GLU A 34 -10.004 -11.443 12.782 1.00 70.22 O ATOM 512 OE2 GLU A 34 -8.434 -9.913 12.623 1.00 42.14 O ATOM 0 H GLU A 34 -11.465 -9.911 8.376 1.00 2.54 H new ATOM 0 HA GLU A 34 -10.962 -12.272 9.969 1.00 64.34 H new ATOM 0 HB2 GLU A 34 -12.270 -9.592 10.577 1.00 73.43 H new ATOM 0 HB3 GLU A 34 -11.944 -10.829 11.775 1.00 73.43 H new ATOM 0 HG2 GLU A 34 -9.602 -10.050 10.131 1.00 72.33 H new ATOM 0 HG3 GLU A 34 -10.249 -8.769 11.136 1.00 72.33 H new ATOM 520 N LEU A 35 -13.924 -11.596 8.827 1.00 34.11 N ATOM 521 CA LEU A 35 -15.291 -12.089 8.706 1.00 64.31 C ATOM 522 C LEU A 35 -15.340 -13.359 7.862 1.00 34.51 C ATOM 523 O LEU A 35 -16.233 -14.190 8.023 1.00 72.30 O ATOM 524 CB LEU A 35 -16.188 -11.017 8.084 1.00 44.21 C ATOM 525 CG LEU A 35 -16.642 -9.897 9.022 1.00 74.34 C ATOM 526 CD1 LEU A 35 -17.686 -9.024 8.342 1.00 2.43 C ATOM 527 CD2 LEU A 35 -17.192 -10.477 10.317 1.00 53.54 C ATOM 0 H LEU A 35 -13.684 -10.852 8.171 1.00 34.11 H new ATOM 0 HA LEU A 35 -15.655 -12.324 9.706 1.00 64.31 H new ATOM 0 HB2 LEU A 35 -15.656 -10.568 7.245 1.00 44.21 H new ATOM 0 HB3 LEU A 35 -17.074 -11.504 7.676 1.00 44.21 H new ATOM 0 HG LEU A 35 -15.779 -9.277 9.263 1.00 74.34 H new ATOM 0 HD11 LEU A 35 -17.998 -8.232 9.023 1.00 2.43 H new ATOM 0 HD12 LEU A 35 -17.260 -8.581 7.442 1.00 2.43 H new ATOM 0 HD13 LEU A 35 -18.550 -9.632 8.073 1.00 2.43 H new ATOM 0 HD21 LEU A 35 -17.510 -9.666 10.972 1.00 53.54 H new ATOM 0 HD22 LEU A 35 -18.044 -11.120 10.095 1.00 53.54 H new ATOM 0 HD23 LEU A 35 -16.416 -11.061 10.812 1.00 53.54 H new ATOM 539 N GLY A 36 -14.370 -13.504 6.963 1.00 40.01 N ATOM 540 CA GLY A 36 -14.320 -14.677 6.109 1.00 5.45 C ATOM 541 C GLY A 36 -14.526 -14.338 4.645 1.00 5.52 C ATOM 542 O GLY A 36 -14.544 -15.224 3.794 1.00 70.54 O ATOM 0 H GLY A 36 -13.619 -12.831 6.811 1.00 40.01 H new ATOM 0 HA2 GLY A 36 -13.356 -15.171 6.232 1.00 5.45 H new ATOM 0 HA3 GLY A 36 -15.085 -15.386 6.426 1.00 5.45 H new ATOM 546 N GLN A 37 -14.681 -13.050 4.355 1.00 11.14 N ATOM 547 CA GLN A 37 -14.888 -12.596 2.984 1.00 72.25 C ATOM 548 C GLN A 37 -13.555 -12.344 2.287 1.00 73.44 C ATOM 549 O GLN A 37 -13.120 -11.200 2.150 1.00 63.44 O ATOM 550 CB GLN A 37 -15.734 -11.322 2.969 1.00 70.44 C ATOM 551 CG GLN A 37 -16.719 -11.231 4.123 1.00 54.44 C ATOM 552 CD GLN A 37 -17.966 -10.448 3.765 1.00 43.34 C ATOM 553 OE1 GLN A 37 -17.987 -9.706 2.785 1.00 22.32 O ATOM 554 NE2 GLN A 37 -19.016 -10.608 4.564 1.00 12.31 N ATOM 0 H GLN A 37 -14.667 -12.303 5.050 1.00 11.14 H new ATOM 0 HA GLN A 37 -15.417 -13.381 2.444 1.00 72.25 H new ATOM 0 HB2 GLN A 37 -15.072 -10.456 2.998 1.00 70.44 H new ATOM 0 HB3 GLN A 37 -16.283 -11.272 2.029 1.00 70.44 H new ATOM 0 HG2 GLN A 37 -17.003 -12.237 4.434 1.00 54.44 H new ATOM 0 HG3 GLN A 37 -16.231 -10.760 4.976 1.00 54.44 H new ATOM 0 HE21 GLN A 37 -18.955 -11.234 5.367 1.00 12.31 H new ATOM 0 HE22 GLN A 37 -19.883 -10.105 4.374 1.00 12.31 H new ATOM 563 N LYS A 38 -12.911 -13.420 1.848 1.00 1.53 N ATOM 564 CA LYS A 38 -11.627 -13.316 1.163 1.00 71.02 C ATOM 565 C LYS A 38 -11.763 -12.517 -0.129 1.00 1.33 C ATOM 566 O LYS A 38 -10.998 -11.584 -0.372 1.00 24.54 O ATOM 567 CB LYS A 38 -11.076 -14.711 0.856 1.00 11.02 C ATOM 568 CG LYS A 38 -10.583 -15.455 2.086 1.00 32.13 C ATOM 569 CD LYS A 38 -11.671 -15.574 3.140 1.00 61.44 C ATOM 570 CE LYS A 38 -11.265 -16.526 4.254 1.00 71.34 C ATOM 571 NZ LYS A 38 -11.822 -17.891 4.047 1.00 54.22 N ATOM 0 H LYS A 38 -13.257 -14.374 1.954 1.00 1.53 H new ATOM 0 HA LYS A 38 -10.933 -12.794 1.821 1.00 71.02 H new ATOM 0 HB2 LYS A 38 -11.854 -15.301 0.372 1.00 11.02 H new ATOM 0 HB3 LYS A 38 -10.256 -14.620 0.144 1.00 11.02 H new ATOM 0 HG2 LYS A 38 -10.244 -16.450 1.798 1.00 32.13 H new ATOM 0 HG3 LYS A 38 -9.723 -14.934 2.507 1.00 32.13 H new ATOM 0 HD2 LYS A 38 -11.882 -14.590 3.559 1.00 61.44 H new ATOM 0 HD3 LYS A 38 -12.592 -15.927 2.676 1.00 61.44 H new ATOM 0 HE2 LYS A 38 -10.178 -16.581 4.306 1.00 71.34 H new ATOM 0 HE3 LYS A 38 -11.610 -16.134 5.211 1.00 71.34 H new ATOM 0 HZ1 LYS A 38 -11.523 -18.510 4.827 1.00 54.22 H new ATOM 0 HZ2 LYS A 38 -12.861 -17.842 4.023 1.00 54.22 H new ATOM 0 HZ3 LYS A 38 -11.472 -18.276 3.146 1.00 54.22 H new ATOM 585 N GLU A 39 -12.740 -12.888 -0.949 1.00 20.34 N ATOM 586 CA GLU A 39 -12.973 -12.204 -2.216 1.00 63.23 C ATOM 587 C GLU A 39 -12.799 -10.696 -2.059 1.00 24.41 C ATOM 588 O GLU A 39 -11.932 -10.092 -2.691 1.00 71.22 O ATOM 589 CB GLU A 39 -14.378 -12.513 -2.737 1.00 50.25 C ATOM 590 CG GLU A 39 -15.352 -12.932 -1.648 1.00 43.13 C ATOM 591 CD GLU A 39 -16.798 -12.673 -2.028 1.00 11.10 C ATOM 592 OE1 GLU A 39 -17.251 -13.233 -3.048 1.00 62.51 O ATOM 593 OE2 GLU A 39 -17.475 -11.912 -1.306 1.00 1.03 O ATOM 0 H GLU A 39 -13.383 -13.657 -0.760 1.00 20.34 H new ATOM 0 HA GLU A 39 -12.238 -12.566 -2.935 1.00 63.23 H new ATOM 0 HB2 GLU A 39 -14.770 -11.632 -3.244 1.00 50.25 H new ATOM 0 HB3 GLU A 39 -14.314 -13.307 -3.481 1.00 50.25 H new ATOM 0 HG2 GLU A 39 -15.220 -13.993 -1.436 1.00 43.13 H new ATOM 0 HG3 GLU A 39 -15.119 -12.392 -0.730 1.00 43.13 H new ATOM 601 N GLU A 40 -13.629 -10.094 -1.213 1.00 72.52 N ATOM 602 CA GLU A 40 -13.567 -8.656 -0.974 1.00 74.54 C ATOM 603 C GLU A 40 -12.224 -8.264 -0.366 1.00 21.44 C ATOM 604 O GLU A 40 -11.528 -7.391 -0.885 1.00 12.22 O ATOM 605 CB GLU A 40 -14.704 -8.222 -0.049 1.00 43.44 C ATOM 606 CG GLU A 40 -15.806 -7.453 -0.758 1.00 64.31 C ATOM 607 CD GLU A 40 -16.919 -8.354 -1.258 1.00 10.14 C ATOM 608 OE1 GLU A 40 -18.100 -7.976 -1.108 1.00 53.44 O ATOM 609 OE2 GLU A 40 -16.608 -9.435 -1.799 1.00 34.40 O ATOM 0 H GLU A 40 -14.352 -10.579 -0.682 1.00 72.52 H new ATOM 0 HA GLU A 40 -13.674 -8.148 -1.933 1.00 74.54 H new ATOM 0 HB2 GLU A 40 -15.135 -9.105 0.423 1.00 43.44 H new ATOM 0 HB3 GLU A 40 -14.295 -7.602 0.749 1.00 43.44 H new ATOM 0 HG2 GLU A 40 -16.223 -6.712 -0.076 1.00 64.31 H new ATOM 0 HG3 GLU A 40 -15.379 -6.908 -1.600 1.00 64.31 H new ATOM 617 N ALA A 41 -11.867 -8.913 0.736 1.00 22.11 N ATOM 618 CA ALA A 41 -10.608 -8.634 1.414 1.00 13.02 C ATOM 619 C ALA A 41 -9.479 -8.421 0.411 1.00 75.23 C ATOM 620 O ALA A 41 -8.849 -7.365 0.383 1.00 63.20 O ATOM 621 CB ALA A 41 -10.260 -9.765 2.371 1.00 20.15 C ATOM 0 H ALA A 41 -12.433 -9.637 1.179 1.00 22.11 H new ATOM 0 HA ALA A 41 -10.729 -7.714 1.986 1.00 13.02 H new ATOM 0 HB1 ALA A 41 -9.317 -9.542 2.870 1.00 20.15 H new ATOM 0 HB2 ALA A 41 -11.049 -9.867 3.116 1.00 20.15 H new ATOM 0 HB3 ALA A 41 -10.164 -10.697 1.814 1.00 20.15 H new ATOM 627 N LYS A 42 -9.228 -9.433 -0.413 1.00 62.02 N ATOM 628 CA LYS A 42 -8.175 -9.357 -1.420 1.00 71.24 C ATOM 629 C LYS A 42 -8.270 -8.057 -2.209 1.00 3.03 C ATOM 630 O LYS A 42 -7.322 -7.272 -2.247 1.00 73.43 O ATOM 631 CB LYS A 42 -8.266 -10.553 -2.372 1.00 64.31 C ATOM 632 CG LYS A 42 -7.090 -11.507 -2.264 1.00 54.04 C ATOM 633 CD LYS A 42 -7.554 -12.944 -2.088 1.00 53.31 C ATOM 634 CE LYS A 42 -8.386 -13.411 -3.271 1.00 72.21 C ATOM 635 NZ LYS A 42 -9.749 -13.842 -2.855 1.00 74.03 N ATOM 0 H LYS A 42 -9.739 -10.316 -0.403 1.00 62.02 H new ATOM 0 HA LYS A 42 -7.213 -9.380 -0.908 1.00 71.24 H new ATOM 0 HB2 LYS A 42 -9.187 -11.100 -2.168 1.00 64.31 H new ATOM 0 HB3 LYS A 42 -8.333 -10.187 -3.396 1.00 64.31 H new ATOM 0 HG2 LYS A 42 -6.474 -11.429 -3.160 1.00 54.04 H new ATOM 0 HG3 LYS A 42 -6.463 -11.220 -1.420 1.00 54.04 H new ATOM 0 HD2 LYS A 42 -6.688 -13.595 -1.972 1.00 53.31 H new ATOM 0 HD3 LYS A 42 -8.141 -13.028 -1.173 1.00 53.31 H new ATOM 0 HE2 LYS A 42 -8.467 -12.604 -3.999 1.00 72.21 H new ATOM 0 HE3 LYS A 42 -7.879 -14.239 -3.767 1.00 72.21 H new ATOM 0 HZ1 LYS A 42 -10.443 -13.531 -3.564 1.00 74.03 H new ATOM 0 HZ2 LYS A 42 -9.776 -14.879 -2.776 1.00 74.03 H new ATOM 0 HZ3 LYS A 42 -9.981 -13.418 -1.934 1.00 74.03 H new ATOM 649 N ASN A 43 -9.420 -7.833 -2.837 1.00 23.33 N ATOM 650 CA ASN A 43 -9.637 -6.625 -3.625 1.00 72.11 C ATOM 651 C ASN A 43 -9.268 -5.379 -2.825 1.00 41.55 C ATOM 652 O ASN A 43 -8.443 -4.574 -3.254 1.00 14.12 O ATOM 653 CB ASN A 43 -11.097 -6.541 -4.077 1.00 33.20 C ATOM 654 CG ASN A 43 -11.473 -5.155 -4.562 1.00 31.33 C ATOM 655 OD1 ASN A 43 -10.951 -4.674 -5.568 1.00 75.13 O ATOM 656 ND2 ASN A 43 -12.384 -4.506 -3.847 1.00 65.32 N ATOM 0 H ASN A 43 -10.215 -8.471 -2.816 1.00 23.33 H new ATOM 0 HA ASN A 43 -8.994 -6.674 -4.504 1.00 72.11 H new ATOM 0 HB2 ASN A 43 -11.269 -7.262 -4.876 1.00 33.20 H new ATOM 0 HB3 ASN A 43 -11.748 -6.822 -3.249 1.00 33.20 H new ATOM 0 HD21 ASN A 43 -12.678 -3.570 -4.125 1.00 65.32 H new ATOM 0 HD22 ASN A 43 -12.790 -4.944 -3.020 1.00 65.32 H new ATOM 663 N TYR A 44 -9.887 -5.228 -1.658 1.00 20.43 N ATOM 664 CA TYR A 44 -9.625 -4.081 -0.798 1.00 22.42 C ATOM 665 C TYR A 44 -8.132 -3.776 -0.734 1.00 72.12 C ATOM 666 O TYR A 44 -7.709 -2.640 -0.947 1.00 15.25 O ATOM 667 CB TYR A 44 -10.166 -4.338 0.609 1.00 44.33 C ATOM 668 CG TYR A 44 -11.645 -4.060 0.751 1.00 24.34 C ATOM 669 CD1 TYR A 44 -12.151 -2.779 0.564 1.00 65.32 C ATOM 670 CD2 TYR A 44 -12.536 -5.077 1.069 1.00 25.15 C ATOM 671 CE1 TYR A 44 -13.502 -2.520 0.693 1.00 61.24 C ATOM 672 CE2 TYR A 44 -13.889 -4.826 1.198 1.00 21.50 C ATOM 673 CZ TYR A 44 -14.367 -3.546 1.010 1.00 55.42 C ATOM 674 OH TYR A 44 -15.713 -3.293 1.137 1.00 63.13 O ATOM 0 H TYR A 44 -10.573 -5.886 -1.287 1.00 20.43 H new ATOM 0 HA TYR A 44 -10.135 -3.217 -1.224 1.00 22.42 H new ATOM 0 HB2 TYR A 44 -9.973 -5.376 0.879 1.00 44.33 H new ATOM 0 HB3 TYR A 44 -9.619 -3.717 1.318 1.00 44.33 H new ATOM 0 HD1 TYR A 44 -11.477 -1.973 0.314 1.00 65.32 H new ATOM 0 HD2 TYR A 44 -12.165 -6.080 1.218 1.00 25.15 H new ATOM 0 HE1 TYR A 44 -13.879 -1.519 0.546 1.00 61.24 H new ATOM 0 HE2 TYR A 44 -14.569 -5.628 1.445 1.00 21.50 H new ATOM 0 HH TYR A 44 -16.182 -4.123 1.362 1.00 63.13 H new ATOM 684 N TYR A 45 -7.339 -4.800 -0.441 1.00 12.23 N ATOM 685 CA TYR A 45 -5.892 -4.644 -0.346 1.00 71.30 C ATOM 686 C TYR A 45 -5.298 -4.251 -1.696 1.00 4.21 C ATOM 687 O TYR A 45 -4.379 -3.433 -1.768 1.00 73.22 O ATOM 688 CB TYR A 45 -5.249 -5.941 0.148 1.00 55.23 C ATOM 689 CG TYR A 45 -5.528 -6.238 1.604 1.00 30.14 C ATOM 690 CD1 TYR A 45 -5.142 -5.350 2.600 1.00 42.21 C ATOM 691 CD2 TYR A 45 -6.176 -7.407 1.984 1.00 23.44 C ATOM 692 CE1 TYR A 45 -5.393 -5.618 3.933 1.00 62.42 C ATOM 693 CE2 TYR A 45 -6.432 -7.682 3.312 1.00 71.04 C ATOM 694 CZ TYR A 45 -6.038 -6.785 4.284 1.00 71.44 C ATOM 695 OH TYR A 45 -6.292 -7.055 5.609 1.00 43.22 O ATOM 0 H TYR A 45 -7.673 -5.747 -0.265 1.00 12.23 H new ATOM 0 HA TYR A 45 -5.684 -3.848 0.369 1.00 71.30 H new ATOM 0 HB2 TYR A 45 -5.611 -6.771 -0.459 1.00 55.23 H new ATOM 0 HB3 TYR A 45 -4.171 -5.883 -0.002 1.00 55.23 H new ATOM 0 HD1 TYR A 45 -4.637 -4.435 2.329 1.00 42.21 H new ATOM 0 HD2 TYR A 45 -6.485 -8.113 1.227 1.00 23.44 H new ATOM 0 HE1 TYR A 45 -5.086 -4.917 4.695 1.00 62.42 H new ATOM 0 HE2 TYR A 45 -6.938 -8.595 3.589 1.00 71.04 H new ATOM 0 HH TYR A 45 -6.136 -8.006 5.785 1.00 43.22 H new ATOM 705 N LYS A 46 -5.828 -4.837 -2.762 1.00 71.33 N ATOM 706 CA LYS A 46 -5.354 -4.550 -4.110 1.00 2.14 C ATOM 707 C LYS A 46 -5.510 -3.067 -4.436 1.00 12.51 C ATOM 708 O LYS A 46 -4.728 -2.507 -5.204 1.00 11.44 O ATOM 709 CB LYS A 46 -6.121 -5.389 -5.133 1.00 33.33 C ATOM 710 CG LYS A 46 -5.386 -6.651 -5.557 1.00 45.54 C ATOM 711 CD LYS A 46 -6.236 -7.508 -6.480 1.00 42.14 C ATOM 712 CE LYS A 46 -5.752 -8.949 -6.504 1.00 31.33 C ATOM 713 NZ LYS A 46 -6.262 -9.727 -5.343 1.00 1.13 N ATOM 0 H LYS A 46 -6.588 -5.516 -2.719 1.00 71.33 H new ATOM 0 HA LYS A 46 -4.296 -4.807 -4.158 1.00 2.14 H new ATOM 0 HB2 LYS A 46 -7.088 -5.665 -4.713 1.00 33.33 H new ATOM 0 HB3 LYS A 46 -6.319 -4.780 -6.015 1.00 33.33 H new ATOM 0 HG2 LYS A 46 -4.458 -6.381 -6.062 1.00 45.54 H new ATOM 0 HG3 LYS A 46 -5.112 -7.228 -4.674 1.00 45.54 H new ATOM 0 HD2 LYS A 46 -7.275 -7.477 -6.152 1.00 42.14 H new ATOM 0 HD3 LYS A 46 -6.208 -7.097 -7.489 1.00 42.14 H new ATOM 0 HE2 LYS A 46 -6.076 -9.425 -7.430 1.00 31.33 H new ATOM 0 HE3 LYS A 46 -4.662 -8.966 -6.501 1.00 31.33 H new ATOM 0 HZ1 LYS A 46 -5.698 -10.594 -5.231 1.00 1.13 H new ATOM 0 HZ2 LYS A 46 -6.187 -9.152 -4.480 1.00 1.13 H new ATOM 0 HZ3 LYS A 46 -7.258 -9.980 -5.505 1.00 1.13 H new ATOM 727 N GLN A 47 -6.521 -2.439 -3.846 1.00 0.13 N ATOM 728 CA GLN A 47 -6.777 -1.021 -4.073 1.00 11.22 C ATOM 729 C GLN A 47 -5.958 -0.160 -3.118 1.00 43.11 C ATOM 730 O GLN A 47 -5.328 0.813 -3.529 1.00 44.34 O ATOM 731 CB GLN A 47 -8.266 -0.717 -3.904 1.00 2.34 C ATOM 732 CG GLN A 47 -9.161 -1.534 -4.822 1.00 65.24 C ATOM 733 CD GLN A 47 -10.635 -1.251 -4.602 1.00 31.32 C ATOM 734 OE1 GLN A 47 -11.004 -0.436 -3.757 1.00 41.32 O ATOM 735 NE2 GLN A 47 -11.488 -1.926 -5.364 1.00 31.43 N ATOM 0 H GLN A 47 -7.177 -2.889 -3.207 1.00 0.13 H new ATOM 0 HA GLN A 47 -6.478 -0.783 -5.094 1.00 11.22 H new ATOM 0 HB2 GLN A 47 -8.552 -0.906 -2.869 1.00 2.34 H new ATOM 0 HB3 GLN A 47 -8.436 0.343 -4.093 1.00 2.34 H new ATOM 0 HG2 GLN A 47 -8.904 -1.319 -5.859 1.00 65.24 H new ATOM 0 HG3 GLN A 47 -8.970 -2.595 -4.660 1.00 65.24 H new ATOM 0 HE21 GLN A 47 -11.139 -2.593 -6.053 1.00 31.43 H new ATOM 0 HE22 GLN A 47 -12.492 -1.778 -5.261 1.00 31.43 H new ATOM 744 N GLY A 48 -5.973 -0.525 -1.839 1.00 73.32 N ATOM 745 CA GLY A 48 -5.229 0.226 -0.845 1.00 35.53 C ATOM 746 C GLY A 48 -3.739 0.247 -1.129 1.00 42.32 C ATOM 747 O GLY A 48 -3.044 1.193 -0.758 1.00 44.11 O ATOM 0 H GLY A 48 -6.487 -1.327 -1.474 1.00 73.32 H new ATOM 0 HA2 GLY A 48 -5.604 1.249 -0.812 1.00 35.53 H new ATOM 0 HA3 GLY A 48 -5.402 -0.209 0.139 1.00 35.53 H new ATOM 751 N ILE A 49 -3.250 -0.799 -1.787 1.00 5.31 N ATOM 752 CA ILE A 49 -1.834 -0.896 -2.120 1.00 45.01 C ATOM 753 C ILE A 49 -1.396 0.268 -3.004 1.00 75.11 C ATOM 754 O ILE A 49 -0.380 0.911 -2.743 1.00 72.01 O ATOM 755 CB ILE A 49 -1.513 -2.221 -2.837 1.00 3.11 C ATOM 756 CG1 ILE A 49 -1.333 -3.347 -1.818 1.00 1.41 C ATOM 757 CG2 ILE A 49 -0.266 -2.070 -3.695 1.00 40.51 C ATOM 758 CD1 ILE A 49 -1.808 -4.694 -2.316 1.00 13.44 C ATOM 0 H ILE A 49 -3.813 -1.590 -2.100 1.00 5.31 H new ATOM 0 HA ILE A 49 -1.285 -0.861 -1.179 1.00 45.01 H new ATOM 0 HB ILE A 49 -2.349 -2.477 -3.488 1.00 3.11 H new ATOM 0 HG12 ILE A 49 -0.279 -3.419 -1.550 1.00 1.41 H new ATOM 0 HG13 ILE A 49 -1.876 -3.093 -0.908 1.00 1.41 H new ATOM 0 HG21 ILE A 49 -0.052 -3.014 -4.195 1.00 40.51 H new ATOM 0 HG22 ILE A 49 -0.430 -1.293 -4.442 1.00 40.51 H new ATOM 0 HG23 ILE A 49 0.579 -1.794 -3.064 1.00 40.51 H new ATOM 0 HD11 ILE A 49 -1.650 -5.445 -1.542 1.00 13.44 H new ATOM 0 HD12 ILE A 49 -2.870 -4.639 -2.557 1.00 13.44 H new ATOM 0 HD13 ILE A 49 -1.247 -4.970 -3.209 1.00 13.44 H new ATOM 770 N GLY A 50 -2.172 0.532 -4.051 1.00 1.41 N ATOM 771 CA GLY A 50 -1.849 1.619 -4.957 1.00 61.31 C ATOM 772 C GLY A 50 -1.668 2.941 -4.237 1.00 72.35 C ATOM 773 O GLY A 50 -0.610 3.564 -4.327 1.00 63.51 O ATOM 0 H GLY A 50 -3.018 0.013 -4.288 1.00 1.41 H new ATOM 0 HA2 GLY A 50 -0.935 1.376 -5.499 1.00 61.31 H new ATOM 0 HA3 GLY A 50 -2.642 1.718 -5.698 1.00 61.31 H new ATOM 777 N HIS A 51 -2.703 3.370 -3.521 1.00 73.23 N ATOM 778 CA HIS A 51 -2.654 4.626 -2.783 1.00 0.05 C ATOM 779 C HIS A 51 -1.461 4.652 -1.831 1.00 51.14 C ATOM 780 O HIS A 51 -0.730 5.640 -1.762 1.00 74.43 O ATOM 781 CB HIS A 51 -3.951 4.833 -2.000 1.00 15.03 C ATOM 782 CG HIS A 51 -5.125 5.170 -2.866 1.00 54.13 C ATOM 783 ND1 HIS A 51 -5.398 6.449 -3.299 1.00 61.11 N ATOM 784 CD2 HIS A 51 -6.100 4.383 -3.379 1.00 22.15 C ATOM 785 CE1 HIS A 51 -6.492 6.437 -4.042 1.00 74.04 C ATOM 786 NE2 HIS A 51 -6.937 5.194 -4.106 1.00 45.42 N ATOM 0 H HIS A 51 -3.586 2.866 -3.437 1.00 73.23 H new ATOM 0 HA HIS A 51 -2.539 5.437 -3.502 1.00 0.05 H new ATOM 0 HB2 HIS A 51 -4.174 3.927 -1.436 1.00 15.03 H new ATOM 0 HB3 HIS A 51 -3.804 5.633 -1.274 1.00 15.03 H new ATOM 0 HD2 HIS A 51 -6.201 3.316 -3.242 1.00 22.15 H new ATOM 0 HE1 HIS A 51 -6.944 7.296 -4.515 1.00 74.04 H new ATOM 0 HE2 HIS A 51 -7.767 4.887 -4.613 1.00 45.42 H new ATOM 795 N LEU A 52 -1.272 3.558 -1.099 1.00 2.14 N ATOM 796 CA LEU A 52 -0.168 3.455 -0.152 1.00 44.24 C ATOM 797 C LEU A 52 1.129 3.971 -0.767 1.00 50.11 C ATOM 798 O LEU A 52 1.677 4.983 -0.328 1.00 63.31 O ATOM 799 CB LEU A 52 0.009 2.004 0.299 1.00 24.44 C ATOM 800 CG LEU A 52 -0.892 1.542 1.445 1.00 2.50 C ATOM 801 CD1 LEU A 52 -0.871 0.026 1.563 1.00 0.41 C ATOM 802 CD2 LEU A 52 -0.462 2.187 2.755 1.00 13.43 C ATOM 0 H LEU A 52 -1.868 2.732 -1.144 1.00 2.14 H new ATOM 0 HA LEU A 52 -0.407 4.072 0.714 1.00 44.24 H new ATOM 0 HB2 LEU A 52 -0.166 1.354 -0.559 1.00 24.44 H new ATOM 0 HB3 LEU A 52 1.047 1.862 0.600 1.00 24.44 H new ATOM 0 HG LEU A 52 -1.913 1.855 1.227 1.00 2.50 H new ATOM 0 HD11 LEU A 52 -1.518 -0.284 2.384 1.00 0.41 H new ATOM 0 HD12 LEU A 52 -1.228 -0.416 0.633 1.00 0.41 H new ATOM 0 HD13 LEU A 52 0.148 -0.310 1.757 1.00 0.41 H new ATOM 0 HD21 LEU A 52 -1.114 1.847 3.559 1.00 13.43 H new ATOM 0 HD22 LEU A 52 0.567 1.906 2.979 1.00 13.43 H new ATOM 0 HD23 LEU A 52 -0.530 3.271 2.666 1.00 13.43 H new ATOM 814 N LEU A 53 1.614 3.269 -1.783 1.00 1.15 N ATOM 815 CA LEU A 53 2.847 3.657 -2.462 1.00 12.00 C ATOM 816 C LEU A 53 2.747 5.079 -3.001 1.00 24.14 C ATOM 817 O LEU A 53 3.684 5.869 -2.877 1.00 54.43 O ATOM 818 CB LEU A 53 3.151 2.687 -3.604 1.00 0.03 C ATOM 819 CG LEU A 53 3.222 1.206 -3.227 1.00 42.34 C ATOM 820 CD1 LEU A 53 3.163 0.334 -4.472 1.00 64.13 C ATOM 821 CD2 LEU A 53 4.488 0.919 -2.432 1.00 60.52 C ATOM 0 H LEU A 53 1.174 2.428 -2.156 1.00 1.15 H new ATOM 0 HA LEU A 53 3.659 3.619 -1.736 1.00 12.00 H new ATOM 0 HB2 LEU A 53 2.387 2.810 -4.371 1.00 0.03 H new ATOM 0 HB3 LEU A 53 4.102 2.973 -4.053 1.00 0.03 H new ATOM 0 HG LEU A 53 2.362 0.968 -2.602 1.00 42.34 H new ATOM 0 HD11 LEU A 53 3.215 -0.716 -4.184 1.00 64.13 H new ATOM 0 HD12 LEU A 53 2.229 0.519 -5.002 1.00 64.13 H new ATOM 0 HD13 LEU A 53 4.003 0.573 -5.124 1.00 64.13 H new ATOM 0 HD21 LEU A 53 4.522 -0.139 -2.172 1.00 60.52 H new ATOM 0 HD22 LEU A 53 5.361 1.173 -3.033 1.00 60.52 H new ATOM 0 HD23 LEU A 53 4.489 1.517 -1.521 1.00 60.52 H new ATOM 833 N ARG A 54 1.605 5.402 -3.599 1.00 62.41 N ATOM 834 CA ARG A 54 1.381 6.731 -4.156 1.00 13.12 C ATOM 835 C ARG A 54 1.926 7.809 -3.224 1.00 12.33 C ATOM 836 O ARG A 54 2.472 8.816 -3.675 1.00 14.00 O ATOM 837 CB ARG A 54 -0.111 6.961 -4.402 1.00 53.31 C ATOM 838 CG ARG A 54 -0.399 8.060 -5.411 1.00 42.55 C ATOM 839 CD ARG A 54 -1.660 7.765 -6.210 1.00 12.11 C ATOM 840 NE ARG A 54 -1.360 7.102 -7.476 1.00 62.33 N ATOM 841 CZ ARG A 54 -2.241 6.366 -8.147 1.00 52.31 C ATOM 842 NH1 ARG A 54 -3.469 6.202 -7.673 1.00 30.40 N ATOM 843 NH2 ARG A 54 -1.895 5.793 -9.292 1.00 3.42 N ATOM 0 H ARG A 54 0.820 4.761 -3.710 1.00 62.41 H new ATOM 0 HA ARG A 54 1.912 6.793 -5.106 1.00 13.12 H new ATOM 0 HB2 ARG A 54 -0.561 6.032 -4.751 1.00 53.31 H new ATOM 0 HB3 ARG A 54 -0.592 7.212 -3.457 1.00 53.31 H new ATOM 0 HG2 ARG A 54 -0.510 9.012 -4.892 1.00 42.55 H new ATOM 0 HG3 ARG A 54 0.448 8.164 -6.090 1.00 42.55 H new ATOM 0 HD2 ARG A 54 -2.325 7.135 -5.619 1.00 12.11 H new ATOM 0 HD3 ARG A 54 -2.192 8.696 -6.405 1.00 12.11 H new ATOM 0 HE ARG A 54 -0.424 7.209 -7.867 1.00 62.33 H new ATOM 0 HH11 ARG A 54 -3.739 6.641 -6.793 1.00 30.40 H new ATOM 0 HH12 ARG A 54 -4.144 5.637 -8.189 1.00 30.40 H new ATOM 0 HH21 ARG A 54 -0.952 5.916 -9.659 1.00 3.42 H new ATOM 0 HH22 ARG A 54 -2.572 5.229 -9.805 1.00 3.42 H new ATOM 857 N GLY A 55 1.773 7.592 -1.922 1.00 52.21 N ATOM 858 CA GLY A 55 2.254 8.554 -0.947 1.00 61.30 C ATOM 859 C GLY A 55 3.702 8.319 -0.566 1.00 13.32 C ATOM 860 O GLY A 55 4.384 9.232 -0.100 1.00 34.42 O ATOM 0 H GLY A 55 1.324 6.767 -1.524 1.00 52.21 H new ATOM 0 HA2 GLY A 55 2.147 9.561 -1.351 1.00 61.30 H new ATOM 0 HA3 GLY A 55 1.633 8.502 -0.053 1.00 61.30 H new ATOM 864 N ILE A 56 4.171 7.090 -0.761 1.00 5.05 N ATOM 865 CA ILE A 56 5.547 6.738 -0.433 1.00 65.51 C ATOM 866 C ILE A 56 6.474 6.982 -1.620 1.00 50.51 C ATOM 867 O ILE A 56 7.697 6.932 -1.486 1.00 42.44 O ATOM 868 CB ILE A 56 5.663 5.265 0.001 1.00 1.23 C ATOM 869 CG1 ILE A 56 4.588 4.931 1.039 1.00 34.35 C ATOM 870 CG2 ILE A 56 7.050 4.985 0.559 1.00 2.52 C ATOM 871 CD1 ILE A 56 4.127 3.491 0.986 1.00 41.44 C ATOM 0 H ILE A 56 3.619 6.323 -1.144 1.00 5.05 H new ATOM 0 HA ILE A 56 5.848 7.377 0.397 1.00 65.51 H new ATOM 0 HB ILE A 56 5.509 4.631 -0.872 1.00 1.23 H new ATOM 0 HG12 ILE A 56 4.977 5.144 2.035 1.00 34.35 H new ATOM 0 HG13 ILE A 56 3.730 5.585 0.885 1.00 34.35 H new ATOM 0 HG21 ILE A 56 7.116 3.940 0.861 1.00 2.52 H new ATOM 0 HG22 ILE A 56 7.798 5.189 -0.207 1.00 2.52 H new ATOM 0 HG23 ILE A 56 7.231 5.625 1.423 1.00 2.52 H new ATOM 0 HD11 ILE A 56 3.366 3.324 1.748 1.00 41.44 H new ATOM 0 HD12 ILE A 56 3.708 3.279 0.002 1.00 41.44 H new ATOM 0 HD13 ILE A 56 4.975 2.831 1.169 1.00 41.44 H new ATOM 883 N SER A 57 5.882 7.247 -2.780 1.00 14.05 N ATOM 884 CA SER A 57 6.656 7.495 -3.991 1.00 33.24 C ATOM 885 C SER A 57 6.613 8.973 -4.368 1.00 63.52 C ATOM 886 O SER A 57 6.838 9.337 -5.523 1.00 71.54 O ATOM 887 CB SER A 57 6.122 6.646 -5.147 1.00 60.02 C ATOM 888 OG SER A 57 5.526 5.452 -4.669 1.00 15.22 O ATOM 0 H SER A 57 4.871 7.295 -2.907 1.00 14.05 H new ATOM 0 HA SER A 57 7.691 7.217 -3.795 1.00 33.24 H new ATOM 0 HB2 SER A 57 5.390 7.219 -5.716 1.00 60.02 H new ATOM 0 HB3 SER A 57 6.936 6.402 -5.830 1.00 60.02 H new ATOM 0 HG SER A 57 4.633 5.650 -4.318 1.00 15.22 H new ATOM 894 N ILE A 58 6.322 9.820 -3.388 1.00 62.41 N ATOM 895 CA ILE A 58 6.249 11.258 -3.615 1.00 33.53 C ATOM 896 C ILE A 58 7.610 11.820 -4.012 1.00 1.10 C ATOM 897 O ILE A 58 7.988 11.789 -5.183 1.00 3.13 O ATOM 898 CB ILE A 58 5.743 12.002 -2.365 1.00 72.22 C ATOM 899 CG1 ILE A 58 4.254 11.724 -2.149 1.00 20.35 C ATOM 900 CG2 ILE A 58 5.996 13.495 -2.500 1.00 12.33 C ATOM 901 CD1 ILE A 58 3.386 12.136 -3.318 1.00 51.41 C ATOM 0 H ILE A 58 6.132 9.535 -2.427 1.00 62.41 H new ATOM 0 HA ILE A 58 5.542 11.413 -4.430 1.00 33.53 H new ATOM 0 HB ILE A 58 6.291 11.639 -1.495 1.00 72.22 H new ATOM 0 HG12 ILE A 58 4.115 10.659 -1.961 1.00 20.35 H new ATOM 0 HG13 ILE A 58 3.920 12.251 -1.255 1.00 20.35 H new ATOM 0 HG21 ILE A 58 5.633 14.008 -1.609 1.00 12.33 H new ATOM 0 HG22 ILE A 58 7.065 13.674 -2.611 1.00 12.33 H new ATOM 0 HG23 ILE A 58 5.471 13.875 -3.376 1.00 12.33 H new ATOM 0 HD11 ILE A 58 2.343 11.909 -3.095 1.00 51.41 H new ATOM 0 HD12 ILE A 58 3.495 13.206 -3.493 1.00 51.41 H new ATOM 0 HD13 ILE A 58 3.693 11.589 -4.210 1.00 51.41 H new ATOM 913 N SER A 59 8.342 12.332 -3.027 1.00 0.15 N ATOM 914 CA SER A 59 9.661 12.905 -3.274 1.00 55.14 C ATOM 915 C SER A 59 10.352 13.261 -1.961 1.00 54.22 C ATOM 916 O SER A 59 11.346 12.642 -1.582 1.00 3.05 O ATOM 917 CB SER A 59 9.544 14.149 -4.156 1.00 35.41 C ATOM 918 OG SER A 59 10.791 14.812 -4.269 1.00 12.44 O ATOM 0 H SER A 59 8.045 12.362 -2.052 1.00 0.15 H new ATOM 0 HA SER A 59 10.263 12.158 -3.791 1.00 55.14 H new ATOM 0 HB2 SER A 59 9.189 13.865 -5.146 1.00 35.41 H new ATOM 0 HB3 SER A 59 8.804 14.829 -3.735 1.00 35.41 H new ATOM 0 HG SER A 59 10.691 15.603 -4.839 1.00 12.44 H new ATOM 924 N SER A 60 9.816 14.263 -1.272 1.00 4.24 N ATOM 925 CA SER A 60 10.382 14.707 -0.004 1.00 1.55 C ATOM 926 C SER A 60 11.859 15.058 -0.162 1.00 44.41 C ATOM 927 O SER A 60 12.723 14.475 0.496 1.00 5.01 O ATOM 928 CB SER A 60 10.217 13.621 1.061 1.00 44.54 C ATOM 929 OG SER A 60 9.854 14.182 2.310 1.00 52.44 O ATOM 0 H SER A 60 8.991 14.783 -1.571 1.00 4.24 H new ATOM 0 HA SER A 60 9.844 15.601 0.312 1.00 1.55 H new ATOM 0 HB2 SER A 60 9.455 12.909 0.744 1.00 44.54 H new ATOM 0 HB3 SER A 60 11.149 13.065 1.166 1.00 44.54 H new ATOM 0 HG SER A 60 9.139 14.839 2.178 1.00 52.44 H new ATOM 935 N LYS A 61 12.143 16.017 -1.037 1.00 64.43 N ATOM 936 CA LYS A 61 13.514 16.449 -1.281 1.00 32.21 C ATOM 937 C LYS A 61 13.541 17.720 -2.124 1.00 22.24 C ATOM 938 O LYS A 61 14.248 17.794 -3.128 1.00 41.33 O ATOM 939 CB LYS A 61 14.301 15.342 -1.985 1.00 74.10 C ATOM 940 CG LYS A 61 15.807 15.518 -1.897 1.00 53.05 C ATOM 941 CD LYS A 61 16.539 14.493 -2.747 1.00 51.13 C ATOM 942 CE LYS A 61 16.191 14.641 -4.221 1.00 44.43 C ATOM 943 NZ LYS A 61 17.409 14.738 -5.072 1.00 44.44 N ATOM 0 H LYS A 61 11.441 16.510 -1.589 1.00 64.43 H new ATOM 0 HA LYS A 61 13.979 16.662 -0.318 1.00 32.21 H new ATOM 0 HB2 LYS A 61 14.030 14.381 -1.549 1.00 74.10 H new ATOM 0 HB3 LYS A 61 14.008 15.310 -3.034 1.00 74.10 H new ATOM 0 HG2 LYS A 61 16.077 16.522 -2.224 1.00 53.05 H new ATOM 0 HG3 LYS A 61 16.125 15.425 -0.859 1.00 53.05 H new ATOM 0 HD2 LYS A 61 17.614 14.608 -2.613 1.00 51.13 H new ATOM 0 HD3 LYS A 61 16.282 13.489 -2.410 1.00 51.13 H new ATOM 0 HE2 LYS A 61 15.592 13.788 -4.540 1.00 44.43 H new ATOM 0 HE3 LYS A 61 15.578 15.531 -4.362 1.00 44.43 H new ATOM 0 HZ1 LYS A 61 17.129 14.838 -6.069 1.00 44.44 H new ATOM 0 HZ2 LYS A 61 17.968 15.567 -4.785 1.00 44.44 H new ATOM 0 HZ3 LYS A 61 17.982 13.877 -4.958 1.00 44.44 H new ATOM 957 N GLU A 62 12.767 18.719 -1.707 1.00 33.15 N ATOM 958 CA GLU A 62 12.704 19.987 -2.424 1.00 74.44 C ATOM 959 C GLU A 62 13.341 21.106 -1.607 1.00 4.14 C ATOM 960 O GLU A 62 13.892 22.057 -2.162 1.00 43.41 O ATOM 961 CB GLU A 62 11.252 20.341 -2.750 1.00 24.22 C ATOM 962 CG GLU A 62 10.768 21.610 -2.071 1.00 4.21 C ATOM 963 CD GLU A 62 9.413 22.064 -2.575 1.00 30.45 C ATOM 964 OE1 GLU A 62 8.397 21.465 -2.167 1.00 41.25 O ATOM 965 OE2 GLU A 62 9.368 23.018 -3.381 1.00 75.43 O ATOM 0 H GLU A 62 12.176 18.674 -0.877 1.00 33.15 H new ATOM 0 HA GLU A 62 13.262 19.878 -3.354 1.00 74.44 H new ATOM 0 HB2 GLU A 62 11.148 20.454 -3.829 1.00 24.22 H new ATOM 0 HB3 GLU A 62 10.609 19.512 -2.453 1.00 24.22 H new ATOM 0 HG2 GLU A 62 10.713 21.443 -0.995 1.00 4.21 H new ATOM 0 HG3 GLU A 62 11.496 22.404 -2.234 1.00 4.21 H new ATOM 973 N SER A 63 13.263 20.985 -0.286 1.00 21.35 N ATOM 974 CA SER A 63 13.828 21.987 0.609 1.00 4.13 C ATOM 975 C SER A 63 14.311 21.348 1.908 1.00 75.50 C ATOM 976 O SER A 63 14.267 20.128 2.063 1.00 10.03 O ATOM 977 CB SER A 63 12.792 23.071 0.915 1.00 54.44 C ATOM 978 OG SER A 63 13.315 24.363 0.666 1.00 1.14 O ATOM 0 H SER A 63 12.813 20.202 0.188 1.00 21.35 H new ATOM 0 HA SER A 63 14.683 22.442 0.109 1.00 4.13 H new ATOM 0 HB2 SER A 63 11.903 22.911 0.304 1.00 54.44 H new ATOM 0 HB3 SER A 63 12.480 22.996 1.957 1.00 54.44 H new ATOM 0 HG SER A 63 12.632 25.037 0.868 1.00 1.14 H new ATOM 984 N GLU A 64 14.770 22.181 2.835 1.00 53.41 N ATOM 985 CA GLU A 64 15.262 21.698 4.120 1.00 75.34 C ATOM 986 C GLU A 64 14.120 21.141 4.965 1.00 52.32 C ATOM 987 O GLU A 64 14.329 20.291 5.831 1.00 14.32 O ATOM 988 CB GLU A 64 15.970 22.823 4.878 1.00 31.32 C ATOM 989 CG GLU A 64 17.481 22.803 4.721 1.00 10.22 C ATOM 990 CD GLU A 64 18.161 21.903 5.734 1.00 15.12 C ATOM 991 OE1 GLU A 64 19.398 21.743 5.651 1.00 21.25 O ATOM 992 OE2 GLU A 64 17.458 21.356 6.609 1.00 2.41 O ATOM 0 H GLU A 64 14.812 23.194 2.721 1.00 53.41 H new ATOM 0 HA GLU A 64 15.975 20.896 3.928 1.00 75.34 H new ATOM 0 HB2 GLU A 64 15.589 23.782 4.527 1.00 31.32 H new ATOM 0 HB3 GLU A 64 15.722 22.749 5.937 1.00 31.32 H new ATOM 0 HG2 GLU A 64 17.734 22.467 3.715 1.00 10.22 H new ATOM 0 HG3 GLU A 64 17.867 23.817 4.825 1.00 10.22 H new ATOM 1000 N HIS A 65 12.909 21.628 4.708 1.00 51.43 N ATOM 1001 CA HIS A 65 11.733 21.180 5.445 1.00 5.30 C ATOM 1002 C HIS A 65 11.878 21.478 6.935 1.00 11.52 C ATOM 1003 O HIS A 65 12.445 20.683 7.686 1.00 35.41 O ATOM 1004 CB HIS A 65 11.511 19.683 5.231 1.00 62.23 C ATOM 1005 CG HIS A 65 11.257 19.313 3.803 1.00 13.34 C ATOM 1006 ND1 HIS A 65 11.733 18.152 3.231 1.00 33.25 N ATOM 1007 CD2 HIS A 65 10.571 19.957 2.830 1.00 2.34 C ATOM 1008 CE1 HIS A 65 11.353 18.099 1.965 1.00 54.52 C ATOM 1009 NE2 HIS A 65 10.646 19.182 1.698 1.00 53.31 N ATOM 0 H HIS A 65 12.717 22.332 3.995 1.00 51.43 H new ATOM 0 HA HIS A 65 10.868 21.725 5.067 1.00 5.30 H new ATOM 0 HB2 HIS A 65 12.386 19.140 5.588 1.00 62.23 H new ATOM 0 HB3 HIS A 65 10.665 19.359 5.837 1.00 62.23 H new ATOM 0 HD2 HIS A 65 10.060 20.904 2.926 1.00 2.34 H new ATOM 0 HE1 HIS A 65 11.582 17.306 1.269 1.00 54.52 H new ATOM 0 HE2 HIS A 65 10.224 19.407 0.797 1.00 53.31 H new ATOM 1018 N THR A 66 11.364 22.628 7.357 1.00 11.55 N ATOM 1019 CA THR A 66 11.439 23.032 8.756 1.00 31.00 C ATOM 1020 C THR A 66 10.172 23.762 9.186 1.00 31.42 C ATOM 1021 O THR A 66 9.698 24.663 8.495 1.00 42.51 O ATOM 1022 CB THR A 66 12.654 23.943 9.014 1.00 64.00 C ATOM 1023 OG1 THR A 66 12.721 24.965 8.013 1.00 4.23 O ATOM 1024 CG2 THR A 66 13.944 23.138 9.010 1.00 50.21 C ATOM 0 H THR A 66 10.891 23.297 6.750 1.00 11.55 H new ATOM 0 HA THR A 66 11.547 22.120 9.342 1.00 31.00 H new ATOM 0 HB THR A 66 12.534 24.403 9.995 1.00 64.00 H new ATOM 0 HG1 THR A 66 13.495 25.541 8.185 1.00 4.23 H new ATOM 0 HG21 THR A 66 14.788 23.803 9.194 1.00 50.21 H new ATOM 0 HG22 THR A 66 13.902 22.380 9.792 1.00 50.21 H new ATOM 0 HG23 THR A 66 14.068 22.654 8.041 1.00 50.21 H new ATOM 1032 N GLY A 67 9.627 23.364 10.331 1.00 41.33 N ATOM 1033 CA GLY A 67 8.418 23.992 10.835 1.00 22.41 C ATOM 1034 C GLY A 67 7.172 23.193 10.511 1.00 61.14 C ATOM 1035 O GLY A 67 7.239 22.022 10.136 1.00 41.25 O ATOM 0 H GLY A 67 10.000 22.619 10.919 1.00 41.33 H new ATOM 0 HA2 GLY A 67 8.498 24.112 11.915 1.00 22.41 H new ATOM 0 HA3 GLY A 67 8.326 24.991 10.409 1.00 22.41 H new ATOM 1039 N PRO A 68 6.000 23.830 10.656 1.00 5.15 N ATOM 1040 CA PRO A 68 4.711 23.189 10.382 1.00 73.04 C ATOM 1041 C PRO A 68 4.497 22.928 8.896 1.00 2.45 C ATOM 1042 O PRO A 68 4.487 23.858 8.088 1.00 54.12 O ATOM 1043 CB PRO A 68 3.692 24.208 10.899 1.00 21.13 C ATOM 1044 CG PRO A 68 4.396 25.518 10.824 1.00 42.24 C ATOM 1045 CD PRO A 68 5.845 25.226 11.098 1.00 21.34 C ATOM 0 HA PRO A 68 4.634 22.210 10.855 1.00 73.04 H new ATOM 0 HB2 PRO A 68 2.788 24.209 10.289 1.00 21.13 H new ATOM 0 HB3 PRO A 68 3.387 23.980 11.920 1.00 21.13 H new ATOM 0 HG2 PRO A 68 4.269 25.974 9.842 1.00 42.24 H new ATOM 0 HG3 PRO A 68 3.994 26.219 11.555 1.00 42.24 H new ATOM 0 HD2 PRO A 68 6.502 25.898 10.546 1.00 21.34 H new ATOM 0 HD3 PRO A 68 6.086 25.342 12.155 1.00 21.34 H new ATOM 1053 N GLY A 69 4.325 21.659 8.540 1.00 44.13 N ATOM 1054 CA GLY A 69 4.113 21.300 7.151 1.00 21.21 C ATOM 1055 C GLY A 69 4.563 19.885 6.841 1.00 22.20 C ATOM 1056 O GLY A 69 3.785 18.939 6.964 1.00 72.43 O ATOM 0 H GLY A 69 4.329 20.873 9.190 1.00 44.13 H new ATOM 0 HA2 GLY A 69 3.055 21.402 6.910 1.00 21.21 H new ATOM 0 HA3 GLY A 69 4.654 21.998 6.512 1.00 21.21 H new ATOM 1060 N TRP A 70 5.820 19.741 6.438 1.00 71.32 N ATOM 1061 CA TRP A 70 6.371 18.433 6.110 1.00 34.00 C ATOM 1062 C TRP A 70 6.393 17.528 7.336 1.00 15.34 C ATOM 1063 O TRP A 70 6.541 16.311 7.218 1.00 70.42 O ATOM 1064 CB TRP A 70 7.785 18.579 5.543 1.00 23.41 C ATOM 1065 CG TRP A 70 7.807 19.003 4.106 1.00 3.01 C ATOM 1066 CD1 TRP A 70 7.896 20.281 3.629 1.00 63.01 C ATOM 1067 CD2 TRP A 70 7.736 18.151 2.958 1.00 74.13 C ATOM 1068 NE1 TRP A 70 7.885 20.273 2.255 1.00 33.52 N ATOM 1069 CE2 TRP A 70 7.788 18.978 1.819 1.00 32.02 C ATOM 1070 CE3 TRP A 70 7.635 16.768 2.781 1.00 1.51 C ATOM 1071 CZ2 TRP A 70 7.744 18.466 0.524 1.00 44.45 C ATOM 1072 CZ3 TRP A 70 7.590 16.262 1.496 1.00 3.31 C ATOM 1073 CH2 TRP A 70 7.645 17.108 0.381 1.00 45.22 C ATOM 0 H TRP A 70 6.476 20.514 6.331 1.00 71.32 H new ATOM 0 HA TRP A 70 5.730 17.976 5.356 1.00 34.00 H new ATOM 0 HB2 TRP A 70 8.334 19.309 6.138 1.00 23.41 H new ATOM 0 HB3 TRP A 70 8.309 17.628 5.642 1.00 23.41 H new ATOM 0 HD1 TRP A 70 7.965 21.167 4.242 1.00 63.01 H new ATOM 0 HE1 TRP A 70 7.940 21.097 1.657 1.00 33.52 H new ATOM 0 HE3 TRP A 70 7.593 16.107 3.634 1.00 1.51 H new ATOM 0 HZ2 TRP A 70 7.786 19.117 -0.337 1.00 44.45 H new ATOM 0 HZ3 TRP A 70 7.511 15.195 1.349 1.00 3.31 H new ATOM 0 HH2 TRP A 70 7.609 16.681 -0.610 1.00 45.22 H new ATOM 1084 N GLU A 71 6.248 18.128 8.512 1.00 10.44 N ATOM 1085 CA GLU A 71 6.253 17.375 9.760 1.00 51.34 C ATOM 1086 C GLU A 71 5.171 16.299 9.751 1.00 44.33 C ATOM 1087 O GLU A 71 5.465 15.107 9.668 1.00 71.31 O ATOM 1088 CB GLU A 71 6.044 18.314 10.951 1.00 55.41 C ATOM 1089 CG GLU A 71 6.962 18.021 12.126 1.00 42.25 C ATOM 1090 CD GLU A 71 8.416 18.328 11.821 1.00 35.40 C ATOM 1091 OE1 GLU A 71 8.745 18.506 10.629 1.00 52.41 O ATOM 1092 OE2 GLU A 71 9.222 18.387 12.773 1.00 32.51 O ATOM 0 H GLU A 71 6.126 19.134 8.627 1.00 10.44 H new ATOM 0 HA GLU A 71 7.224 16.889 9.856 1.00 51.34 H new ATOM 0 HB2 GLU A 71 6.202 19.342 10.625 1.00 55.41 H new ATOM 0 HB3 GLU A 71 5.008 18.241 11.283 1.00 55.41 H new ATOM 0 HG2 GLU A 71 6.643 18.609 12.987 1.00 42.25 H new ATOM 0 HG3 GLU A 71 6.867 16.971 12.404 1.00 42.25 H new ATOM 1100 N SER A 72 3.915 16.731 9.838 1.00 14.23 N ATOM 1101 CA SER A 72 2.788 15.805 9.844 1.00 53.24 C ATOM 1102 C SER A 72 2.800 14.926 8.597 1.00 2.43 C ATOM 1103 O SER A 72 2.621 13.712 8.679 1.00 23.32 O ATOM 1104 CB SER A 72 1.469 16.576 9.927 1.00 24.23 C ATOM 1105 OG SER A 72 1.372 17.293 11.145 1.00 60.44 O ATOM 0 H SER A 72 3.654 17.715 9.905 1.00 14.23 H new ATOM 0 HA SER A 72 2.881 15.163 10.720 1.00 53.24 H new ATOM 0 HB2 SER A 72 1.395 17.268 9.088 1.00 24.23 H new ATOM 0 HB3 SER A 72 0.633 15.882 9.843 1.00 24.23 H new ATOM 0 HG SER A 72 0.521 17.778 11.172 1.00 60.44 H new ATOM 1111 N ALA A 73 3.011 15.550 7.443 1.00 2.23 N ATOM 1112 CA ALA A 73 3.049 14.827 6.179 1.00 33.05 C ATOM 1113 C ALA A 73 4.012 13.648 6.249 1.00 31.11 C ATOM 1114 O ALA A 73 3.780 12.606 5.635 1.00 52.43 O ATOM 1115 CB ALA A 73 3.441 15.764 5.045 1.00 55.12 C ATOM 0 H ALA A 73 3.158 16.556 7.358 1.00 2.23 H new ATOM 0 HA ALA A 73 2.050 14.436 5.984 1.00 33.05 H new ATOM 0 HB1 ALA A 73 3.465 15.210 4.107 1.00 55.12 H new ATOM 0 HB2 ALA A 73 2.712 16.571 4.971 1.00 55.12 H new ATOM 0 HB3 ALA A 73 4.427 16.184 5.244 1.00 55.12 H new ATOM 1121 N ARG A 74 5.094 13.818 7.002 1.00 41.10 N ATOM 1122 CA ARG A 74 6.094 12.767 7.151 1.00 42.13 C ATOM 1123 C ARG A 74 5.594 11.668 8.086 1.00 43.00 C ATOM 1124 O ARG A 74 5.917 10.495 7.907 1.00 73.24 O ATOM 1125 CB ARG A 74 7.402 13.350 7.688 1.00 11.11 C ATOM 1126 CG ARG A 74 8.374 13.770 6.597 1.00 3.34 C ATOM 1127 CD ARG A 74 9.454 14.696 7.140 1.00 61.23 C ATOM 1128 NE ARG A 74 9.853 14.335 8.497 1.00 31.32 N ATOM 1129 CZ ARG A 74 10.648 13.310 8.780 1.00 55.34 C ATOM 1130 NH1 ARG A 74 11.127 12.548 7.806 1.00 31.32 N ATOM 1131 NH2 ARG A 74 10.967 13.044 10.041 1.00 53.11 N ATOM 0 H ARG A 74 5.301 14.673 7.518 1.00 41.10 H new ATOM 0 HA ARG A 74 6.274 12.331 6.168 1.00 42.13 H new ATOM 0 HB2 ARG A 74 7.176 14.214 8.313 1.00 11.11 H new ATOM 0 HB3 ARG A 74 7.884 12.611 8.328 1.00 11.11 H new ATOM 0 HG2 ARG A 74 8.837 12.885 6.160 1.00 3.34 H new ATOM 0 HG3 ARG A 74 7.830 14.273 5.797 1.00 3.34 H new ATOM 0 HD2 ARG A 74 10.324 14.661 6.485 1.00 61.23 H new ATOM 0 HD3 ARG A 74 9.089 15.723 7.131 1.00 61.23 H new ATOM 0 HE ARG A 74 9.502 14.901 9.270 1.00 31.32 H new ATOM 0 HH11 ARG A 74 10.885 12.749 6.836 1.00 31.32 H new ATOM 0 HH12 ARG A 74 11.738 11.761 8.027 1.00 31.32 H new ATOM 0 HH21 ARG A 74 10.601 13.627 10.794 1.00 53.11 H new ATOM 0 HH22 ARG A 74 11.578 12.256 10.257 1.00 53.11 H new ATOM 1145 N GLN A 75 4.804 12.061 9.082 1.00 33.41 N ATOM 1146 CA GLN A 75 4.261 11.109 10.044 1.00 31.33 C ATOM 1147 C GLN A 75 3.242 10.188 9.382 1.00 62.31 C ATOM 1148 O GLN A 75 3.292 8.970 9.550 1.00 31.21 O ATOM 1149 CB GLN A 75 3.612 11.850 11.213 1.00 2.35 C ATOM 1150 CG GLN A 75 4.424 11.790 12.498 1.00 13.14 C ATOM 1151 CD GLN A 75 3.912 10.739 13.463 1.00 33.23 C ATOM 1152 OE1 GLN A 75 4.012 9.540 13.203 1.00 33.52 O ATOM 1153 NE2 GLN A 75 3.361 11.185 14.586 1.00 31.51 N ATOM 0 H GLN A 75 4.527 13.029 9.243 1.00 33.41 H new ATOM 0 HA GLN A 75 5.083 10.500 10.420 1.00 31.33 H new ATOM 0 HB2 GLN A 75 3.465 12.893 10.934 1.00 2.35 H new ATOM 0 HB3 GLN A 75 2.624 11.427 11.397 1.00 2.35 H new ATOM 0 HG2 GLN A 75 5.466 11.579 12.256 1.00 13.14 H new ATOM 0 HG3 GLN A 75 4.401 12.766 12.984 1.00 13.14 H new ATOM 0 HE21 GLN A 75 3.299 12.188 14.760 1.00 31.51 H new ATOM 0 HE22 GLN A 75 3.000 10.524 15.274 1.00 31.51 H new ATOM 1162 N MET A 76 2.318 10.778 8.630 1.00 55.42 N ATOM 1163 CA MET A 76 1.288 10.009 7.943 1.00 31.51 C ATOM 1164 C MET A 76 1.911 9.012 6.970 1.00 63.13 C ATOM 1165 O MET A 76 1.314 7.981 6.657 1.00 43.11 O ATOM 1166 CB MET A 76 0.338 10.944 7.192 1.00 4.32 C ATOM 1167 CG MET A 76 -0.589 11.731 8.107 1.00 14.42 C ATOM 1168 SD MET A 76 -0.891 13.407 7.515 1.00 33.43 S ATOM 1169 CE MET A 76 -1.062 13.118 5.755 1.00 31.24 C ATOM 0 H MET A 76 2.262 11.786 8.481 1.00 55.42 H new ATOM 0 HA MET A 76 0.724 9.455 8.693 1.00 31.51 H new ATOM 0 HB2 MET A 76 0.925 11.642 6.595 1.00 4.32 H new ATOM 0 HB3 MET A 76 -0.263 10.357 6.497 1.00 4.32 H new ATOM 0 HG2 MET A 76 -1.539 11.204 8.195 1.00 14.42 H new ATOM 0 HG3 MET A 76 -0.155 11.775 9.106 1.00 14.42 H new ATOM 0 HE1 MET A 76 -1.805 13.802 5.344 1.00 31.24 H new ATOM 0 HE2 MET A 76 -0.103 13.286 5.264 1.00 31.24 H new ATOM 0 HE3 MET A 76 -1.382 12.090 5.584 1.00 31.24 H new ATOM 1179 N GLN A 77 3.112 9.326 6.496 1.00 64.04 N ATOM 1180 CA GLN A 77 3.814 8.458 5.559 1.00 30.23 C ATOM 1181 C GLN A 77 4.392 7.240 6.273 1.00 22.13 C ATOM 1182 O GLN A 77 4.211 6.107 5.832 1.00 73.32 O ATOM 1183 CB GLN A 77 4.930 9.230 4.854 1.00 35.04 C ATOM 1184 CG GLN A 77 4.607 9.587 3.412 1.00 11.15 C ATOM 1185 CD GLN A 77 5.558 10.620 2.840 1.00 33.14 C ATOM 1186 OE1 GLN A 77 5.796 11.665 3.447 1.00 23.35 O ATOM 1187 NE2 GLN A 77 6.109 10.333 1.666 1.00 72.12 N ATOM 0 H GLN A 77 3.619 10.175 6.746 1.00 64.04 H new ATOM 0 HA GLN A 77 3.096 8.112 4.815 1.00 30.23 H new ATOM 0 HB2 GLN A 77 5.134 10.146 5.409 1.00 35.04 H new ATOM 0 HB3 GLN A 77 5.842 8.634 4.876 1.00 35.04 H new ATOM 0 HG2 GLN A 77 4.646 8.685 2.801 1.00 11.15 H new ATOM 0 HG3 GLN A 77 3.587 9.967 3.355 1.00 11.15 H new ATOM 0 HE21 GLN A 77 5.884 9.455 1.198 1.00 72.12 H new ATOM 0 HE22 GLN A 77 6.758 10.990 1.233 1.00 72.12 H new ATOM 1196 N GLN A 78 5.090 7.485 7.377 1.00 4.44 N ATOM 1197 CA GLN A 78 5.698 6.409 8.151 1.00 63.55 C ATOM 1198 C GLN A 78 4.699 5.279 8.387 1.00 4.24 C ATOM 1199 O GLN A 78 5.020 4.104 8.207 1.00 52.41 O ATOM 1200 CB GLN A 78 6.209 6.941 9.490 1.00 15.32 C ATOM 1201 CG GLN A 78 7.156 5.987 10.202 1.00 72.01 C ATOM 1202 CD GLN A 78 7.776 6.598 11.444 1.00 63.14 C ATOM 1203 OE1 GLN A 78 7.184 7.470 12.080 1.00 41.34 O ATOM 1204 NE2 GLN A 78 8.971 6.142 11.794 1.00 55.45 N ATOM 0 H GLN A 78 5.249 8.419 7.756 1.00 4.44 H new ATOM 0 HA GLN A 78 6.539 6.015 7.581 1.00 63.55 H new ATOM 0 HB2 GLN A 78 6.719 7.890 9.324 1.00 15.32 H new ATOM 0 HB3 GLN A 78 5.358 7.146 10.139 1.00 15.32 H new ATOM 0 HG2 GLN A 78 6.614 5.082 10.478 1.00 72.01 H new ATOM 0 HG3 GLN A 78 7.948 5.687 9.515 1.00 72.01 H new ATOM 0 HE21 GLN A 78 9.424 5.418 11.236 1.00 55.45 H new ATOM 0 HE22 GLN A 78 9.437 6.515 12.621 1.00 55.45 H new ATOM 1213 N LYS A 79 3.487 5.643 8.791 1.00 70.41 N ATOM 1214 CA LYS A 79 2.440 4.662 9.052 1.00 71.14 C ATOM 1215 C LYS A 79 2.189 3.794 7.823 1.00 4.05 C ATOM 1216 O LYS A 79 2.138 2.568 7.917 1.00 24.43 O ATOM 1217 CB LYS A 79 1.146 5.364 9.467 1.00 61.53 C ATOM 1218 CG LYS A 79 0.602 4.898 10.806 1.00 2.53 C ATOM 1219 CD LYS A 79 -0.127 6.017 11.531 1.00 10.30 C ATOM 1220 CE LYS A 79 -1.500 5.571 12.008 1.00 60.45 C ATOM 1221 NZ LYS A 79 -1.855 6.173 13.323 1.00 62.51 N ATOM 0 H LYS A 79 3.205 6.611 8.945 1.00 70.41 H new ATOM 0 HA LYS A 79 2.774 4.019 9.867 1.00 71.14 H new ATOM 0 HB2 LYS A 79 1.324 6.438 9.511 1.00 61.53 H new ATOM 0 HB3 LYS A 79 0.390 5.197 8.700 1.00 61.53 H new ATOM 0 HG2 LYS A 79 -0.077 4.060 10.652 1.00 2.53 H new ATOM 0 HG3 LYS A 79 1.421 4.534 11.426 1.00 2.53 H new ATOM 0 HD2 LYS A 79 0.466 6.346 12.384 1.00 10.30 H new ATOM 0 HD3 LYS A 79 -0.233 6.874 10.866 1.00 10.30 H new ATOM 0 HE2 LYS A 79 -2.250 5.850 11.267 1.00 60.45 H new ATOM 0 HE3 LYS A 79 -1.521 4.484 12.089 1.00 60.45 H new ATOM 0 HZ1 LYS A 79 -2.798 5.844 13.612 1.00 62.51 H new ATOM 0 HZ2 LYS A 79 -1.154 5.887 14.036 1.00 62.51 H new ATOM 0 HZ3 LYS A 79 -1.861 7.210 13.240 1.00 62.51 H new ATOM 1235 N MET A 80 2.035 4.439 6.670 1.00 14.33 N ATOM 1236 CA MET A 80 1.794 3.725 5.423 1.00 63.32 C ATOM 1237 C MET A 80 2.956 2.794 5.094 1.00 73.54 C ATOM 1238 O MET A 80 2.763 1.600 4.865 1.00 62.45 O ATOM 1239 CB MET A 80 1.579 4.716 4.277 1.00 64.54 C ATOM 1240 CG MET A 80 0.241 5.435 4.337 1.00 73.15 C ATOM 1241 SD MET A 80 -0.398 5.853 2.704 1.00 65.35 S ATOM 1242 CE MET A 80 0.814 7.054 2.163 1.00 53.30 C ATOM 0 H MET A 80 2.073 5.454 6.575 1.00 14.33 H new ATOM 0 HA MET A 80 0.894 3.122 5.547 1.00 63.32 H new ATOM 0 HB2 MET A 80 2.380 5.455 4.292 1.00 64.54 H new ATOM 0 HB3 MET A 80 1.654 4.184 3.329 1.00 64.54 H new ATOM 0 HG2 MET A 80 -0.482 4.805 4.855 1.00 73.15 H new ATOM 0 HG3 MET A 80 0.349 6.347 4.925 1.00 73.15 H new ATOM 0 HE1 MET A 80 0.309 7.884 1.670 1.00 53.30 H new ATOM 0 HE2 MET A 80 1.367 7.427 3.025 1.00 53.30 H new ATOM 0 HE3 MET A 80 1.506 6.584 1.464 1.00 53.30 H new ATOM 1252 N LYS A 81 4.164 3.347 5.072 1.00 11.10 N ATOM 1253 CA LYS A 81 5.358 2.567 4.773 1.00 30.44 C ATOM 1254 C LYS A 81 5.417 1.310 5.635 1.00 41.42 C ATOM 1255 O LYS A 81 5.886 0.264 5.190 1.00 12.45 O ATOM 1256 CB LYS A 81 6.614 3.412 4.997 1.00 50.35 C ATOM 1257 CG LYS A 81 7.543 3.453 3.796 1.00 45.22 C ATOM 1258 CD LYS A 81 8.954 3.848 4.196 1.00 50.42 C ATOM 1259 CE LYS A 81 9.935 2.704 3.986 1.00 51.53 C ATOM 1260 NZ LYS A 81 10.505 2.709 2.610 1.00 11.22 N ATOM 0 H LYS A 81 4.342 4.334 5.258 1.00 11.10 H new ATOM 0 HA LYS A 81 5.312 2.266 3.726 1.00 30.44 H new ATOM 0 HB2 LYS A 81 6.316 4.430 5.250 1.00 50.35 H new ATOM 0 HB3 LYS A 81 7.159 3.017 5.854 1.00 50.35 H new ATOM 0 HG2 LYS A 81 7.561 2.475 3.315 1.00 45.22 H new ATOM 0 HG3 LYS A 81 7.160 4.162 3.062 1.00 45.22 H new ATOM 0 HD2 LYS A 81 9.271 4.712 3.611 1.00 50.42 H new ATOM 0 HD3 LYS A 81 8.965 4.150 5.243 1.00 50.42 H new ATOM 0 HE2 LYS A 81 10.743 2.780 4.714 1.00 51.53 H new ATOM 0 HE3 LYS A 81 9.431 1.755 4.167 1.00 51.53 H new ATOM 0 HZ1 LYS A 81 11.168 1.915 2.506 1.00 11.22 H new ATOM 0 HZ2 LYS A 81 9.737 2.611 1.916 1.00 11.22 H new ATOM 0 HZ3 LYS A 81 11.008 3.604 2.446 1.00 11.22 H new ATOM 1274 N GLU A 82 4.936 1.421 6.869 1.00 60.20 N ATOM 1275 CA GLU A 82 4.935 0.292 7.793 1.00 24.22 C ATOM 1276 C GLU A 82 3.832 -0.701 7.435 1.00 33.03 C ATOM 1277 O GLU A 82 4.107 -1.833 7.036 1.00 60.31 O ATOM 1278 CB GLU A 82 4.749 0.781 9.230 1.00 31.21 C ATOM 1279 CG GLU A 82 6.010 1.369 9.841 1.00 71.13 C ATOM 1280 CD GLU A 82 6.092 1.144 11.339 1.00 14.34 C ATOM 1281 OE1 GLU A 82 6.297 2.131 12.076 1.00 33.13 O ATOM 1282 OE2 GLU A 82 5.952 -0.017 11.773 1.00 15.10 O ATOM 0 H GLU A 82 4.542 2.280 7.252 1.00 60.20 H new ATOM 0 HA GLU A 82 5.897 -0.214 7.711 1.00 24.22 H new ATOM 0 HB2 GLU A 82 3.961 1.534 9.250 1.00 31.21 H new ATOM 0 HB3 GLU A 82 4.410 -0.051 9.847 1.00 31.21 H new ATOM 0 HG2 GLU A 82 6.883 0.925 9.362 1.00 71.13 H new ATOM 0 HG3 GLU A 82 6.044 2.439 9.636 1.00 71.13 H new ATOM 1290 N THR A 83 2.585 -0.269 7.582 1.00 64.33 N ATOM 1291 CA THR A 83 1.441 -1.120 7.276 1.00 44.31 C ATOM 1292 C THR A 83 1.586 -1.763 5.902 1.00 41.34 C ATOM 1293 O THR A 83 1.500 -2.986 5.767 1.00 4.33 O ATOM 1294 CB THR A 83 0.122 -0.324 7.323 1.00 75.31 C ATOM 1295 OG1 THR A 83 -0.290 -0.137 8.680 1.00 72.14 O ATOM 1296 CG2 THR A 83 -0.972 -1.047 6.549 1.00 34.13 C ATOM 0 H THR A 83 2.340 0.665 7.911 1.00 64.33 H new ATOM 0 HA THR A 83 1.414 -1.900 8.037 1.00 44.31 H new ATOM 0 HB THR A 83 0.292 0.648 6.860 1.00 75.31 H new ATOM 0 HG1 THR A 83 -0.892 0.635 8.736 1.00 72.14 H new ATOM 0 HG21 THR A 83 -1.894 -0.468 6.595 1.00 34.13 H new ATOM 0 HG22 THR A 83 -0.667 -1.161 5.509 1.00 34.13 H new ATOM 0 HG23 THR A 83 -1.139 -2.031 6.988 1.00 34.13 H new ATOM 1304 N LEU A 84 1.805 -0.936 4.887 1.00 51.13 N ATOM 1305 CA LEU A 84 1.963 -1.425 3.522 1.00 54.34 C ATOM 1306 C LEU A 84 2.857 -2.662 3.486 1.00 55.41 C ATOM 1307 O LEU A 84 2.429 -3.735 3.063 1.00 34.31 O ATOM 1308 CB LEU A 84 2.552 -0.331 2.630 1.00 50.34 C ATOM 1309 CG LEU A 84 3.186 -0.801 1.321 1.00 5.11 C ATOM 1310 CD1 LEU A 84 4.665 -1.094 1.519 1.00 0.02 C ATOM 1311 CD2 LEU A 84 2.462 -2.029 0.788 1.00 21.33 C ATOM 0 H LEU A 84 1.877 0.077 4.983 1.00 51.13 H new ATOM 0 HA LEU A 84 0.977 -1.700 3.146 1.00 54.34 H new ATOM 0 HB2 LEU A 84 1.761 0.381 2.392 1.00 50.34 H new ATOM 0 HB3 LEU A 84 3.306 0.209 3.202 1.00 50.34 H new ATOM 0 HG LEU A 84 3.091 -0.002 0.586 1.00 5.11 H new ATOM 0 HD11 LEU A 84 5.099 -1.427 0.576 1.00 0.02 H new ATOM 0 HD12 LEU A 84 5.174 -0.190 1.853 1.00 0.02 H new ATOM 0 HD13 LEU A 84 4.784 -1.875 2.270 1.00 0.02 H new ATOM 0 HD21 LEU A 84 2.927 -2.349 -0.144 1.00 21.33 H new ATOM 0 HD22 LEU A 84 2.524 -2.834 1.520 1.00 21.33 H new ATOM 0 HD23 LEU A 84 1.416 -1.784 0.606 1.00 21.33 H new ATOM 1323 N GLN A 85 4.097 -2.501 3.935 1.00 21.11 N ATOM 1324 CA GLN A 85 5.050 -3.604 3.956 1.00 33.10 C ATOM 1325 C GLN A 85 4.427 -4.851 4.578 1.00 1.11 C ATOM 1326 O GLN A 85 4.819 -5.974 4.265 1.00 12.15 O ATOM 1327 CB GLN A 85 6.307 -3.207 4.733 1.00 23.43 C ATOM 1328 CG GLN A 85 6.534 -4.035 5.987 1.00 1.13 C ATOM 1329 CD GLN A 85 7.693 -3.524 6.821 1.00 74.23 C ATOM 1330 OE1 GLN A 85 7.601 -3.436 8.046 1.00 74.00 O ATOM 1331 NE2 GLN A 85 8.794 -3.184 6.160 1.00 44.21 N ATOM 0 H GLN A 85 4.465 -1.618 4.289 1.00 21.11 H new ATOM 0 HA GLN A 85 5.325 -3.832 2.926 1.00 33.10 H new ATOM 0 HB2 GLN A 85 7.174 -3.307 4.080 1.00 23.43 H new ATOM 0 HB3 GLN A 85 6.236 -2.155 5.010 1.00 23.43 H new ATOM 0 HG2 GLN A 85 5.627 -4.030 6.591 1.00 1.13 H new ATOM 0 HG3 GLN A 85 6.723 -5.071 5.705 1.00 1.13 H new ATOM 0 HE21 GLN A 85 8.827 -3.273 5.144 1.00 44.21 H new ATOM 0 HE22 GLN A 85 9.606 -2.834 6.668 1.00 44.21 H new ATOM 1340 N ASN A 86 3.454 -4.642 5.459 1.00 14.42 N ATOM 1341 CA ASN A 86 2.779 -5.750 6.126 1.00 65.43 C ATOM 1342 C ASN A 86 1.547 -6.188 5.338 1.00 43.53 C ATOM 1343 O ASN A 86 1.101 -7.329 5.447 1.00 52.14 O ATOM 1344 CB ASN A 86 2.373 -5.346 7.545 1.00 72.40 C ATOM 1345 CG ASN A 86 2.934 -6.285 8.595 1.00 22.03 C ATOM 1346 OD1 ASN A 86 4.071 -6.746 8.488 1.00 71.54 O ATOM 1347 ND2 ASN A 86 2.139 -6.571 9.619 1.00 21.01 N ATOM 0 H ASN A 86 3.116 -3.718 5.727 1.00 14.42 H new ATOM 0 HA ASN A 86 3.473 -6.589 6.178 1.00 65.43 H new ATOM 0 HB2 ASN A 86 2.720 -4.332 7.745 1.00 72.40 H new ATOM 0 HB3 ASN A 86 1.286 -5.331 7.619 1.00 72.40 H new ATOM 0 HD21 ASN A 86 2.463 -7.195 10.358 1.00 21.01 H new ATOM 0 HD22 ASN A 86 1.204 -6.166 9.667 1.00 21.01 H new ATOM 1354 N VAL A 87 1.002 -5.271 4.544 1.00 32.13 N ATOM 1355 CA VAL A 87 -0.177 -5.563 3.737 1.00 0.44 C ATOM 1356 C VAL A 87 0.166 -6.501 2.584 1.00 63.24 C ATOM 1357 O VAL A 87 -0.428 -7.570 2.443 1.00 3.43 O ATOM 1358 CB VAL A 87 -0.800 -4.274 3.168 1.00 20.03 C ATOM 1359 CG1 VAL A 87 -1.755 -4.600 2.031 1.00 24.32 C ATOM 1360 CG2 VAL A 87 -1.511 -3.498 4.266 1.00 40.33 C ATOM 0 H VAL A 87 1.358 -4.321 4.443 1.00 32.13 H new ATOM 0 HA VAL A 87 -0.899 -6.048 4.394 1.00 0.44 H new ATOM 0 HB VAL A 87 -0.001 -3.648 2.771 1.00 20.03 H new ATOM 0 HG11 VAL A 87 -2.185 -3.677 1.642 1.00 24.32 H new ATOM 0 HG12 VAL A 87 -1.213 -5.111 1.236 1.00 24.32 H new ATOM 0 HG13 VAL A 87 -2.553 -5.245 2.399 1.00 24.32 H new ATOM 0 HG21 VAL A 87 -1.945 -2.590 3.847 1.00 40.33 H new ATOM 0 HG22 VAL A 87 -2.301 -4.115 4.694 1.00 40.33 H new ATOM 0 HG23 VAL A 87 -0.796 -3.232 5.045 1.00 40.33 H new ATOM 1370 N ARG A 88 1.127 -6.093 1.762 1.00 21.22 N ATOM 1371 CA ARG A 88 1.548 -6.896 0.621 1.00 23.02 C ATOM 1372 C ARG A 88 1.683 -8.365 1.010 1.00 23.22 C ATOM 1373 O ARG A 88 1.307 -9.258 0.249 1.00 32.14 O ATOM 1374 CB ARG A 88 2.877 -6.379 0.069 1.00 1.23 C ATOM 1375 CG ARG A 88 2.719 -5.326 -1.015 1.00 70.23 C ATOM 1376 CD ARG A 88 4.027 -4.595 -1.279 1.00 41.25 C ATOM 1377 NE ARG A 88 4.699 -5.090 -2.476 1.00 51.11 N ATOM 1378 CZ ARG A 88 5.464 -6.176 -2.493 1.00 53.11 C ATOM 1379 NH1 ARG A 88 5.651 -6.876 -1.383 1.00 54.00 N ATOM 1380 NH2 ARG A 88 6.043 -6.563 -3.623 1.00 51.21 N ATOM 0 H ARG A 88 1.629 -5.211 1.865 1.00 21.22 H new ATOM 0 HA ARG A 88 0.784 -6.812 -0.152 1.00 23.02 H new ATOM 0 HB2 ARG A 88 3.462 -5.960 0.888 1.00 1.23 H new ATOM 0 HB3 ARG A 88 3.445 -7.218 -0.332 1.00 1.23 H new ATOM 0 HG2 ARG A 88 2.373 -5.798 -1.934 1.00 70.23 H new ATOM 0 HG3 ARG A 88 1.954 -4.609 -0.718 1.00 70.23 H new ATOM 0 HD2 ARG A 88 3.830 -3.529 -1.389 1.00 41.25 H new ATOM 0 HD3 ARG A 88 4.687 -4.711 -0.419 1.00 41.25 H new ATOM 0 HE ARG A 88 4.575 -4.574 -3.347 1.00 51.11 H new ATOM 0 HH11 ARG A 88 5.207 -6.581 -0.513 1.00 54.00 H new ATOM 0 HH12 ARG A 88 6.239 -7.709 -1.399 1.00 54.00 H new ATOM 0 HH21 ARG A 88 5.901 -6.026 -4.479 1.00 51.21 H new ATOM 0 HH22 ARG A 88 6.630 -7.397 -3.636 1.00 51.21 H new ATOM 1394 N THR A 89 2.223 -8.609 2.200 1.00 63.42 N ATOM 1395 CA THR A 89 2.410 -9.969 2.690 1.00 65.45 C ATOM 1396 C THR A 89 1.072 -10.629 3.003 1.00 41.45 C ATOM 1397 O THR A 89 0.853 -11.795 2.677 1.00 32.10 O ATOM 1398 CB THR A 89 3.291 -9.995 3.953 1.00 32.33 C ATOM 1399 OG1 THR A 89 4.669 -9.844 3.592 1.00 11.13 O ATOM 1400 CG2 THR A 89 3.102 -11.297 4.717 1.00 43.20 C ATOM 0 H THR A 89 2.539 -7.882 2.842 1.00 63.42 H new ATOM 0 HA THR A 89 2.910 -10.525 1.897 1.00 65.45 H new ATOM 0 HB THR A 89 2.991 -9.167 4.596 1.00 32.33 H new ATOM 0 HG1 THR A 89 5.223 -9.860 4.401 1.00 11.13 H new ATOM 0 HG21 THR A 89 3.734 -11.293 5.605 1.00 43.20 H new ATOM 0 HG22 THR A 89 2.058 -11.396 5.015 1.00 43.20 H new ATOM 0 HG23 THR A 89 3.378 -12.137 4.079 1.00 43.20 H new ATOM 1408 N ARG A 90 0.180 -9.876 3.638 1.00 5.30 N ATOM 1409 CA ARG A 90 -1.137 -10.387 3.996 1.00 51.33 C ATOM 1410 C ARG A 90 -1.917 -10.800 2.751 1.00 1.40 C ATOM 1411 O ARG A 90 -2.668 -11.776 2.772 1.00 12.30 O ATOM 1412 CB ARG A 90 -1.923 -9.333 4.778 1.00 15.14 C ATOM 1413 CG ARG A 90 -1.776 -9.456 6.286 1.00 21.35 C ATOM 1414 CD ARG A 90 -0.405 -9.992 6.669 1.00 31.44 C ATOM 1415 NE ARG A 90 -0.028 -9.612 8.028 1.00 41.05 N ATOM 1416 CZ ARG A 90 -0.417 -10.275 9.111 1.00 50.22 C ATOM 1417 NH1 ARG A 90 -1.189 -11.346 8.995 1.00 51.23 N ATOM 1418 NH2 ARG A 90 -0.033 -9.866 10.314 1.00 23.43 N ATOM 0 H ARG A 90 0.346 -8.909 3.915 1.00 5.30 H new ATOM 0 HA ARG A 90 -0.998 -11.266 4.625 1.00 51.33 H new ATOM 0 HB2 ARG A 90 -1.591 -8.342 4.469 1.00 15.14 H new ATOM 0 HB3 ARG A 90 -2.978 -9.412 4.517 1.00 15.14 H new ATOM 0 HG2 ARG A 90 -1.929 -8.481 6.749 1.00 21.35 H new ATOM 0 HG3 ARG A 90 -2.549 -10.119 6.675 1.00 21.35 H new ATOM 0 HD2 ARG A 90 -0.404 -11.079 6.583 1.00 31.44 H new ATOM 0 HD3 ARG A 90 0.340 -9.616 5.968 1.00 31.44 H new ATOM 0 HE ARG A 90 0.567 -8.793 8.152 1.00 41.05 H new ATOM 0 HH11 ARG A 90 -1.486 -11.663 8.072 1.00 51.23 H new ATOM 0 HH12 ARG A 90 -1.486 -11.853 9.829 1.00 51.23 H new ATOM 0 HH21 ARG A 90 0.561 -9.042 10.407 1.00 23.43 H new ATOM 0 HH22 ARG A 90 -0.332 -10.376 11.145 1.00 23.43 H new ATOM 1432 N LEU A 91 -1.734 -10.052 1.671 1.00 3.11 N ATOM 1433 CA LEU A 91 -2.420 -10.338 0.416 1.00 22.40 C ATOM 1434 C LEU A 91 -1.830 -11.573 -0.259 1.00 51.52 C ATOM 1435 O LEU A 91 -2.504 -12.253 -1.031 1.00 44.42 O ATOM 1436 CB LEU A 91 -2.329 -9.136 -0.525 1.00 12.21 C ATOM 1437 CG LEU A 91 -3.010 -9.295 -1.885 1.00 52.20 C ATOM 1438 CD1 LEU A 91 -4.523 -9.323 -1.724 1.00 15.53 C ATOM 1439 CD2 LEU A 91 -2.593 -8.172 -2.825 1.00 51.03 C ATOM 0 H LEU A 91 -1.116 -9.241 1.638 1.00 3.11 H new ATOM 0 HA LEU A 91 -3.468 -10.536 0.642 1.00 22.40 H new ATOM 0 HB2 LEU A 91 -2.764 -8.272 -0.022 1.00 12.21 H new ATOM 0 HB3 LEU A 91 -1.276 -8.910 -0.693 1.00 12.21 H new ATOM 0 HG LEU A 91 -2.693 -10.243 -2.320 1.00 52.20 H new ATOM 0 HD11 LEU A 91 -4.991 -9.437 -2.702 1.00 15.53 H new ATOM 0 HD12 LEU A 91 -4.806 -10.161 -1.087 1.00 15.53 H new ATOM 0 HD13 LEU A 91 -4.858 -8.391 -1.268 1.00 15.53 H new ATOM 0 HD21 LEU A 91 -3.087 -8.301 -3.788 1.00 51.03 H new ATOM 0 HD22 LEU A 91 -2.881 -7.212 -2.395 1.00 51.03 H new ATOM 0 HD23 LEU A 91 -1.512 -8.197 -2.965 1.00 51.03 H new ATOM 1451 N GLU A 92 -0.565 -11.856 0.041 1.00 42.14 N ATOM 1452 CA GLU A 92 0.116 -13.010 -0.536 1.00 41.31 C ATOM 1453 C GLU A 92 -0.500 -14.312 -0.033 1.00 43.11 C ATOM 1454 O GLU A 92 -0.637 -15.277 -0.785 1.00 44.11 O ATOM 1455 CB GLU A 92 1.606 -12.972 -0.195 1.00 20.12 C ATOM 1456 CG GLU A 92 2.508 -12.886 -1.416 1.00 73.54 C ATOM 1457 CD GLU A 92 3.722 -13.788 -1.310 1.00 53.02 C ATOM 1458 OE1 GLU A 92 4.818 -13.273 -0.999 1.00 72.43 O ATOM 1459 OE2 GLU A 92 3.577 -15.007 -1.536 1.00 72.41 O ATOM 0 H GLU A 92 0.007 -11.303 0.679 1.00 42.14 H new ATOM 0 HA GLU A 92 -0.003 -12.967 -1.619 1.00 41.31 H new ATOM 0 HB2 GLU A 92 1.801 -12.116 0.451 1.00 20.12 H new ATOM 0 HB3 GLU A 92 1.863 -13.866 0.374 1.00 20.12 H new ATOM 0 HG2 GLU A 92 1.937 -13.155 -2.305 1.00 73.54 H new ATOM 0 HG3 GLU A 92 2.837 -11.855 -1.548 1.00 73.54 H new ATOM 1467 N ILE A 93 -0.868 -14.331 1.244 1.00 63.55 N ATOM 1468 CA ILE A 93 -1.469 -15.515 1.847 1.00 64.33 C ATOM 1469 C ILE A 93 -2.918 -15.681 1.403 1.00 75.22 C ATOM 1470 O ILE A 93 -3.367 -16.792 1.115 1.00 74.42 O ATOM 1471 CB ILE A 93 -1.420 -15.448 3.385 1.00 75.23 C ATOM 1472 CG1 ILE A 93 0.013 -15.652 3.881 1.00 22.11 C ATOM 1473 CG2 ILE A 93 -2.349 -16.490 3.990 1.00 3.40 C ATOM 1474 CD1 ILE A 93 1.062 -15.126 2.927 1.00 73.43 C ATOM 0 H ILE A 93 -0.761 -13.541 1.880 1.00 63.55 H new ATOM 0 HA ILE A 93 -0.887 -16.373 1.509 1.00 64.33 H new ATOM 0 HB ILE A 93 -1.757 -14.461 3.702 1.00 75.23 H new ATOM 0 HG12 ILE A 93 0.129 -15.157 4.845 1.00 22.11 H new ATOM 0 HG13 ILE A 93 0.184 -16.716 4.046 1.00 22.11 H new ATOM 0 HG21 ILE A 93 -2.304 -16.430 5.077 1.00 3.40 H new ATOM 0 HG22 ILE A 93 -3.370 -16.303 3.659 1.00 3.40 H new ATOM 0 HG23 ILE A 93 -2.039 -17.484 3.668 1.00 3.40 H new ATOM 0 HD11 ILE A 93 2.054 -15.304 3.343 1.00 73.43 H new ATOM 0 HD12 ILE A 93 0.972 -15.638 1.969 1.00 73.43 H new ATOM 0 HD13 ILE A 93 0.917 -14.056 2.781 1.00 73.43 H new ATOM 1486 N LEU A 94 -3.647 -14.572 1.349 1.00 40.11 N ATOM 1487 CA LEU A 94 -5.047 -14.596 0.937 1.00 24.42 C ATOM 1488 C LEU A 94 -5.204 -15.269 -0.423 1.00 13.11 C ATOM 1489 O LEU A 94 -5.960 -16.230 -0.566 1.00 65.13 O ATOM 1490 CB LEU A 94 -5.606 -13.173 0.880 1.00 62.01 C ATOM 1491 CG LEU A 94 -6.471 -12.744 2.066 1.00 43.32 C ATOM 1492 CD1 LEU A 94 -6.115 -11.331 2.504 1.00 74.52 C ATOM 1493 CD2 LEU A 94 -7.947 -12.839 1.712 1.00 62.21 C ATOM 0 H LEU A 94 -3.293 -13.645 1.585 1.00 40.11 H new ATOM 0 HA LEU A 94 -5.607 -15.172 1.674 1.00 24.42 H new ATOM 0 HB2 LEU A 94 -4.770 -12.479 0.796 1.00 62.01 H new ATOM 0 HB3 LEU A 94 -6.197 -13.072 -0.030 1.00 62.01 H new ATOM 0 HG LEU A 94 -6.274 -13.420 2.898 1.00 43.32 H new ATOM 0 HD11 LEU A 94 -6.741 -11.043 3.349 1.00 74.52 H new ATOM 0 HD12 LEU A 94 -5.067 -11.295 2.800 1.00 74.52 H new ATOM 0 HD13 LEU A 94 -6.282 -10.641 1.677 1.00 74.52 H new ATOM 0 HD21 LEU A 94 -8.547 -12.530 2.568 1.00 62.21 H new ATOM 0 HD22 LEU A 94 -8.161 -12.187 0.865 1.00 62.21 H new ATOM 0 HD23 LEU A 94 -8.193 -13.868 1.449 1.00 62.21 H new ATOM 1505 N GLU A 95 -4.482 -14.761 -1.417 1.00 52.20 N ATOM 1506 CA GLU A 95 -4.541 -15.316 -2.763 1.00 5.13 C ATOM 1507 C GLU A 95 -4.280 -16.820 -2.744 1.00 25.31 C ATOM 1508 O GLU A 95 -5.053 -17.601 -3.300 1.00 12.32 O ATOM 1509 CB GLU A 95 -3.521 -14.622 -3.670 1.00 54.42 C ATOM 1510 CG GLU A 95 -4.142 -13.627 -4.634 1.00 74.05 C ATOM 1511 CD GLU A 95 -4.399 -14.224 -6.004 1.00 74.42 C ATOM 1512 OE1 GLU A 95 -4.352 -13.470 -6.998 1.00 25.24 O ATOM 1513 OE2 GLU A 95 -4.647 -15.445 -6.083 1.00 50.15 O ATOM 0 H GLU A 95 -3.850 -13.967 -1.315 1.00 52.20 H new ATOM 0 HA GLU A 95 -5.543 -15.143 -3.156 1.00 5.13 H new ATOM 0 HB2 GLU A 95 -2.788 -14.105 -3.050 1.00 54.42 H new ATOM 0 HB3 GLU A 95 -2.980 -15.378 -4.240 1.00 54.42 H new ATOM 0 HG2 GLU A 95 -5.082 -13.262 -4.219 1.00 74.05 H new ATOM 0 HG3 GLU A 95 -3.483 -12.765 -4.735 1.00 74.05 H new ATOM 1521 N LYS A 96 -3.187 -17.216 -2.101 1.00 33.54 N ATOM 1522 CA LYS A 96 -2.824 -18.626 -2.009 1.00 71.44 C ATOM 1523 C LYS A 96 -3.621 -19.322 -0.909 1.00 0.32 C ATOM 1524 O LYS A 96 -3.459 -20.518 -0.675 1.00 54.34 O ATOM 1525 CB LYS A 96 -1.324 -18.770 -1.737 1.00 44.51 C ATOM 1526 CG LYS A 96 -0.940 -18.497 -0.293 1.00 70.24 C ATOM 1527 CD LYS A 96 -0.690 -19.788 0.471 1.00 4.13 C ATOM 1528 CE LYS A 96 -0.970 -19.618 1.957 1.00 11.43 C ATOM 1529 NZ LYS A 96 -2.322 -20.121 2.327 1.00 54.21 N ATOM 0 H LYS A 96 -2.537 -16.582 -1.636 1.00 33.54 H new ATOM 0 HA LYS A 96 -3.062 -19.101 -2.961 1.00 71.44 H new ATOM 0 HB2 LYS A 96 -1.010 -19.779 -2.003 1.00 44.51 H new ATOM 0 HB3 LYS A 96 -0.778 -18.085 -2.385 1.00 44.51 H new ATOM 0 HG2 LYS A 96 -0.044 -17.877 -0.265 1.00 70.24 H new ATOM 0 HG3 LYS A 96 -1.734 -17.932 0.195 1.00 70.24 H new ATOM 0 HD2 LYS A 96 -1.323 -20.579 0.068 1.00 4.13 H new ATOM 0 HD3 LYS A 96 0.344 -20.103 0.328 1.00 4.13 H new ATOM 0 HE2 LYS A 96 -0.214 -20.152 2.533 1.00 11.43 H new ATOM 0 HE3 LYS A 96 -0.889 -18.564 2.224 1.00 11.43 H new ATOM 0 HZ1 LYS A 96 -2.927 -19.321 2.603 1.00 54.21 H new ATOM 0 HZ2 LYS A 96 -2.745 -20.610 1.513 1.00 54.21 H new ATOM 0 HZ3 LYS A 96 -2.240 -20.784 3.124 1.00 54.21 H new ATOM 1543 N GLY A 97 -4.481 -18.563 -0.238 1.00 23.13 N ATOM 1544 CA GLY A 97 -5.290 -19.125 0.828 1.00 73.33 C ATOM 1545 C GLY A 97 -6.642 -19.603 0.339 1.00 72.44 C ATOM 1546 O GLY A 97 -7.427 -20.163 1.105 1.00 50.23 O ATOM 0 H GLY A 97 -4.632 -17.570 -0.413 1.00 23.13 H new ATOM 0 HA2 GLY A 97 -4.756 -19.959 1.284 1.00 73.33 H new ATOM 0 HA3 GLY A 97 -5.433 -18.375 1.606 1.00 73.33 H new ATOM 1550 N LEU A 98 -6.919 -19.382 -0.942 1.00 73.22 N ATOM 1551 CA LEU A 98 -8.186 -19.793 -1.534 1.00 74.50 C ATOM 1552 C LEU A 98 -7.973 -20.894 -2.569 1.00 64.34 C ATOM 1553 O LEU A 98 -6.845 -21.318 -2.817 1.00 2.32 O ATOM 1554 CB LEU A 98 -8.883 -18.595 -2.182 1.00 34.12 C ATOM 1555 CG LEU A 98 -10.384 -18.469 -1.921 1.00 21.34 C ATOM 1556 CD1 LEU A 98 -10.664 -17.323 -0.962 1.00 45.23 C ATOM 1557 CD2 LEU A 98 -11.137 -18.269 -3.229 1.00 13.33 C ATOM 0 H LEU A 98 -6.282 -18.920 -1.590 1.00 73.22 H new ATOM 0 HA LEU A 98 -8.819 -20.186 -0.738 1.00 74.50 H new ATOM 0 HB2 LEU A 98 -8.396 -17.684 -1.833 1.00 34.12 H new ATOM 0 HB3 LEU A 98 -8.725 -18.648 -3.259 1.00 34.12 H new ATOM 0 HG LEU A 98 -10.733 -19.394 -1.461 1.00 21.34 H new ATOM 0 HD11 LEU A 98 -11.737 -17.248 -0.788 1.00 45.23 H new ATOM 0 HD12 LEU A 98 -10.155 -17.508 -0.016 1.00 45.23 H new ATOM 0 HD13 LEU A 98 -10.301 -16.390 -1.394 1.00 45.23 H new ATOM 0 HD21 LEU A 98 -12.204 -18.181 -3.025 1.00 13.33 H new ATOM 0 HD22 LEU A 98 -10.785 -17.360 -3.716 1.00 13.33 H new ATOM 0 HD23 LEU A 98 -10.962 -19.123 -3.884 1.00 13.33 H new ATOM 1569 N ALA A 99 -9.066 -21.352 -3.171 1.00 31.22 N ATOM 1570 CA ALA A 99 -8.998 -22.400 -4.182 1.00 31.42 C ATOM 1571 C ALA A 99 -9.812 -22.025 -5.418 1.00 42.31 C ATOM 1572 O ALA A 99 -10.824 -21.329 -5.320 1.00 53.33 O ATOM 1573 CB ALA A 99 -9.487 -23.719 -3.609 1.00 75.13 C ATOM 0 H ALA A 99 -10.008 -21.014 -2.976 1.00 31.22 H new ATOM 0 HA ALA A 99 -7.956 -22.511 -4.484 1.00 31.42 H new ATOM 0 HB1 ALA A 99 -9.430 -24.492 -4.375 1.00 75.13 H new ATOM 0 HB2 ALA A 99 -8.862 -24.002 -2.762 1.00 75.13 H new ATOM 0 HB3 ALA A 99 -10.520 -23.611 -3.278 1.00 75.13 H new ATOM 1579 N THR A 100 -9.364 -22.487 -6.580 1.00 15.35 N ATOM 1580 CA THR A 100 -10.047 -22.200 -7.834 1.00 41.54 C ATOM 1581 C THR A 100 -10.469 -23.484 -8.538 1.00 2.45 C ATOM 1582 O THR A 100 -9.640 -24.349 -8.823 1.00 24.44 O ATOM 1583 CB THR A 100 -9.158 -21.375 -8.783 1.00 73.45 C ATOM 1584 OG1 THR A 100 -8.000 -20.904 -8.084 1.00 14.34 O ATOM 1585 CG2 THR A 100 -9.926 -20.194 -9.357 1.00 51.23 C ATOM 0 H THR A 100 -8.528 -23.063 -6.679 1.00 15.35 H new ATOM 0 HA THR A 100 -10.934 -21.619 -7.583 1.00 41.54 H new ATOM 0 HB THR A 100 -8.848 -22.019 -9.606 1.00 73.45 H new ATOM 0 HG1 THR A 100 -7.439 -20.382 -8.695 1.00 14.34 H new ATOM 0 HG21 THR A 100 -9.276 -19.627 -10.024 1.00 51.23 H new ATOM 0 HG22 THR A 100 -10.790 -20.558 -9.914 1.00 51.23 H new ATOM 0 HG23 THR A 100 -10.263 -19.550 -8.545 1.00 51.23 H new ATOM 1593 N SER A 101 -11.764 -23.604 -8.815 1.00 24.34 N ATOM 1594 CA SER A 101 -12.296 -24.784 -9.484 1.00 4.11 C ATOM 1595 C SER A 101 -13.702 -24.520 -10.018 1.00 12.44 C ATOM 1596 O SER A 101 -14.674 -24.509 -9.261 1.00 74.33 O ATOM 1597 CB SER A 101 -12.320 -25.974 -8.522 1.00 12.54 C ATOM 1598 OG SER A 101 -11.276 -26.887 -8.816 1.00 54.21 O ATOM 0 H SER A 101 -12.463 -22.898 -8.586 1.00 24.34 H new ATOM 0 HA SER A 101 -11.644 -25.018 -10.326 1.00 4.11 H new ATOM 0 HB2 SER A 101 -12.219 -25.619 -7.496 1.00 12.54 H new ATOM 0 HB3 SER A 101 -13.282 -26.482 -8.590 1.00 12.54 H new ATOM 0 HG SER A 101 -10.432 -26.398 -8.915 1.00 54.21 H new ATOM 1604 N LEU A 102 -13.800 -24.307 -11.324 1.00 24.41 N ATOM 1605 CA LEU A 102 -15.086 -24.042 -11.962 1.00 1.13 C ATOM 1606 C LEU A 102 -15.715 -22.767 -11.409 1.00 31.04 C ATOM 1607 O LEU A 102 -15.514 -22.419 -10.246 1.00 62.25 O ATOM 1608 CB LEU A 102 -16.034 -25.224 -11.753 1.00 60.32 C ATOM 1609 CG LEU A 102 -15.654 -26.523 -12.466 1.00 2.13 C ATOM 1610 CD1 LEU A 102 -16.326 -26.598 -13.828 1.00 62.32 C ATOM 1611 CD2 LEU A 102 -14.144 -26.631 -12.608 1.00 21.42 C ATOM 0 H LEU A 102 -13.005 -24.312 -11.963 1.00 24.41 H new ATOM 0 HA LEU A 102 -14.914 -23.907 -13.030 1.00 1.13 H new ATOM 0 HB2 LEU A 102 -16.101 -25.426 -10.684 1.00 60.32 H new ATOM 0 HB3 LEU A 102 -17.029 -24.929 -12.085 1.00 60.32 H new ATOM 0 HG LEU A 102 -16.003 -27.362 -11.864 1.00 2.13 H new ATOM 0 HD11 LEU A 102 -16.045 -27.528 -14.322 1.00 62.32 H new ATOM 0 HD12 LEU A 102 -17.408 -26.567 -13.702 1.00 62.32 H new ATOM 0 HD13 LEU A 102 -16.007 -25.753 -14.438 1.00 62.32 H new ATOM 0 HD21 LEU A 102 -13.892 -27.561 -13.117 1.00 21.42 H new ATOM 0 HD22 LEU A 102 -13.772 -25.787 -13.189 1.00 21.42 H new ATOM 0 HD23 LEU A 102 -13.684 -26.622 -11.620 1.00 21.42 H new ATOM 1623 N GLN A 103 -16.478 -22.078 -12.250 1.00 65.24 N ATOM 1624 CA GLN A 103 -17.138 -20.842 -11.844 1.00 51.35 C ATOM 1625 C GLN A 103 -18.616 -21.084 -11.550 1.00 61.21 C ATOM 1626 O GLN A 103 -19.160 -22.135 -11.887 1.00 53.41 O ATOM 1627 CB GLN A 103 -16.990 -19.777 -12.933 1.00 74.34 C ATOM 1628 CG GLN A 103 -17.733 -20.115 -14.216 1.00 23.11 C ATOM 1629 CD GLN A 103 -16.874 -20.877 -15.205 1.00 14.33 C ATOM 1630 OE1 GLN A 103 -16.509 -22.030 -14.969 1.00 71.23 O ATOM 1631 NE2 GLN A 103 -16.543 -20.237 -16.320 1.00 25.24 N ATOM 0 H GLN A 103 -16.655 -22.354 -13.216 1.00 65.24 H new ATOM 0 HA GLN A 103 -16.658 -20.487 -10.932 1.00 51.35 H new ATOM 0 HB2 GLN A 103 -17.356 -18.824 -12.551 1.00 74.34 H new ATOM 0 HB3 GLN A 103 -15.932 -19.644 -13.159 1.00 74.34 H new ATOM 0 HG2 GLN A 103 -18.615 -20.708 -13.975 1.00 23.11 H new ATOM 0 HG3 GLN A 103 -18.085 -19.194 -14.681 1.00 23.11 H new ATOM 0 HE21 GLN A 103 -16.867 -19.282 -16.475 1.00 25.24 H new ATOM 0 HE22 GLN A 103 -15.965 -20.700 -17.021 1.00 25.24 H new ATOM 1640 N ASN A 104 -19.257 -20.105 -10.922 1.00 44.13 N ATOM 1641 CA ASN A 104 -20.671 -20.214 -10.582 1.00 25.50 C ATOM 1642 C ASN A 104 -21.419 -18.935 -10.950 1.00 44.42 C ATOM 1643 O ASN A 104 -20.807 -17.926 -11.304 1.00 34.41 O ATOM 1644 CB ASN A 104 -20.840 -20.504 -9.090 1.00 33.22 C ATOM 1645 CG ASN A 104 -20.269 -21.853 -8.696 1.00 13.54 C ATOM 1646 OD1 ASN A 104 -20.491 -22.855 -9.374 1.00 53.15 O ATOM 1647 ND2 ASN A 104 -19.525 -21.882 -7.594 1.00 23.41 N ATOM 0 H ASN A 104 -18.821 -19.228 -10.638 1.00 44.13 H new ATOM 0 HA ASN A 104 -21.093 -21.040 -11.155 1.00 25.50 H new ATOM 0 HB2 ASN A 104 -20.348 -19.721 -8.512 1.00 33.22 H new ATOM 0 HB3 ASN A 104 -21.899 -20.472 -8.834 1.00 33.22 H new ATOM 0 HD21 ASN A 104 -19.112 -22.760 -7.280 1.00 23.41 H new ATOM 0 HD22 ASN A 104 -19.367 -21.026 -7.062 1.00 23.41 H new ATOM 1654 N ASP A 105 -22.743 -18.984 -10.862 1.00 63.31 N ATOM 1655 CA ASP A 105 -23.574 -17.829 -11.183 1.00 1.33 C ATOM 1656 C ASP A 105 -25.025 -18.074 -10.778 1.00 34.33 C ATOM 1657 O ASP A 105 -25.403 -19.193 -10.432 1.00 2.12 O ATOM 1658 CB ASP A 105 -23.495 -17.517 -12.679 1.00 14.31 C ATOM 1659 CG ASP A 105 -22.893 -16.153 -12.954 1.00 61.14 C ATOM 1660 OD1 ASP A 105 -21.872 -15.815 -12.318 1.00 51.12 O ATOM 1661 OD2 ASP A 105 -23.443 -15.423 -13.806 1.00 73.23 O ATOM 0 H ASP A 105 -23.264 -19.811 -10.571 1.00 63.31 H new ATOM 0 HA ASP A 105 -23.198 -16.974 -10.621 1.00 1.33 H new ATOM 0 HB2 ASP A 105 -22.898 -18.282 -13.176 1.00 14.31 H new ATOM 0 HB3 ASP A 105 -24.495 -17.563 -13.110 1.00 14.31 H new ATOM 1667 N LEU A 106 -25.831 -17.020 -10.822 1.00 23.22 N ATOM 1668 CA LEU A 106 -27.241 -17.119 -10.459 1.00 21.35 C ATOM 1669 C LEU A 106 -28.134 -16.925 -11.681 1.00 33.13 C ATOM 1670 O LEU A 106 -27.811 -16.149 -12.580 1.00 10.42 O ATOM 1671 CB LEU A 106 -27.587 -16.081 -9.390 1.00 73.50 C ATOM 1672 CG LEU A 106 -26.898 -16.256 -8.037 1.00 21.24 C ATOM 1673 CD1 LEU A 106 -26.673 -14.906 -7.374 1.00 0.22 C ATOM 1674 CD2 LEU A 106 -27.719 -17.165 -7.134 1.00 5.23 C ATOM 0 H LEU A 106 -25.533 -16.087 -11.105 1.00 23.22 H new ATOM 0 HA LEU A 106 -27.418 -18.117 -10.058 1.00 21.35 H new ATOM 0 HB2 LEU A 106 -27.337 -15.093 -9.777 1.00 73.50 H new ATOM 0 HB3 LEU A 106 -28.665 -16.098 -9.231 1.00 73.50 H new ATOM 0 HG LEU A 106 -25.927 -16.723 -8.203 1.00 21.24 H new ATOM 0 HD11 LEU A 106 -26.182 -15.051 -6.412 1.00 0.22 H new ATOM 0 HD12 LEU A 106 -26.044 -14.287 -8.014 1.00 0.22 H new ATOM 0 HD13 LEU A 106 -27.632 -14.412 -7.221 1.00 0.22 H new ATOM 0 HD21 LEU A 106 -27.213 -17.278 -6.175 1.00 5.23 H new ATOM 0 HD22 LEU A 106 -28.704 -16.726 -6.975 1.00 5.23 H new ATOM 0 HD23 LEU A 106 -27.828 -18.142 -7.604 1.00 5.23 H new ATOM 1686 N GLN A 107 -29.257 -17.633 -11.705 1.00 4.11 N ATOM 1687 CA GLN A 107 -30.196 -17.537 -12.817 1.00 45.20 C ATOM 1688 C GLN A 107 -31.610 -17.264 -12.312 1.00 75.23 C ATOM 1689 O GLN A 107 -32.589 -17.689 -12.924 1.00 73.01 O ATOM 1690 CB GLN A 107 -30.176 -18.824 -13.642 1.00 51.12 C ATOM 1691 CG GLN A 107 -30.939 -19.972 -12.999 1.00 61.20 C ATOM 1692 CD GLN A 107 -30.271 -21.314 -13.223 1.00 64.15 C ATOM 1693 OE1 GLN A 107 -29.323 -21.427 -14.001 1.00 43.43 O ATOM 1694 NE2 GLN A 107 -30.763 -22.341 -12.541 1.00 43.54 N ATOM 0 H GLN A 107 -29.540 -18.279 -10.968 1.00 4.11 H new ATOM 0 HA GLN A 107 -29.888 -16.704 -13.450 1.00 45.20 H new ATOM 0 HB2 GLN A 107 -30.601 -18.622 -14.625 1.00 51.12 H new ATOM 0 HB3 GLN A 107 -29.141 -19.129 -13.799 1.00 51.12 H new ATOM 0 HG2 GLN A 107 -31.029 -19.789 -11.928 1.00 61.20 H new ATOM 0 HG3 GLN A 107 -31.951 -20.002 -13.403 1.00 61.20 H new ATOM 0 HE21 GLN A 107 -31.550 -22.202 -11.907 1.00 43.54 H new ATOM 0 HE22 GLN A 107 -30.354 -23.269 -12.651 1.00 43.54 H new ATOM 1703 N GLU A 108 -31.707 -16.555 -11.192 1.00 1.52 N ATOM 1704 CA GLU A 108 -33.002 -16.227 -10.605 1.00 72.01 C ATOM 1705 C GLU A 108 -33.427 -14.810 -10.982 1.00 31.43 C ATOM 1706 O GLU A 108 -32.623 -13.879 -10.946 1.00 31.34 O ATOM 1707 CB GLU A 108 -32.946 -16.366 -9.083 1.00 72.43 C ATOM 1708 CG GLU A 108 -34.050 -17.240 -8.511 1.00 31.23 C ATOM 1709 CD GLU A 108 -33.538 -18.581 -8.020 1.00 1.34 C ATOM 1710 OE1 GLU A 108 -33.353 -19.487 -8.858 1.00 75.44 O ATOM 1711 OE2 GLU A 108 -33.324 -18.722 -6.798 1.00 32.44 O ATOM 0 H GLU A 108 -30.905 -16.197 -10.673 1.00 1.52 H new ATOM 0 HA GLU A 108 -33.739 -16.926 -11.000 1.00 72.01 H new ATOM 0 HB2 GLU A 108 -31.980 -16.784 -8.800 1.00 72.43 H new ATOM 0 HB3 GLU A 108 -33.009 -15.375 -8.633 1.00 72.43 H new ATOM 0 HG2 GLU A 108 -34.533 -16.716 -7.686 1.00 31.23 H new ATOM 0 HG3 GLU A 108 -34.811 -17.403 -9.274 1.00 31.23 H new ATOM 1719 N VAL A 109 -34.696 -14.658 -11.345 1.00 52.12 N ATOM 1720 CA VAL A 109 -35.230 -13.356 -11.728 1.00 22.42 C ATOM 1721 C VAL A 109 -35.037 -12.332 -10.614 1.00 21.33 C ATOM 1722 O VAL A 109 -35.102 -12.651 -9.426 1.00 30.32 O ATOM 1723 CB VAL A 109 -36.728 -13.444 -12.075 1.00 25.41 C ATOM 1724 CG1 VAL A 109 -36.968 -14.498 -13.143 1.00 75.35 C ATOM 1725 CG2 VAL A 109 -37.547 -13.739 -10.829 1.00 54.45 C ATOM 0 H VAL A 109 -35.374 -15.420 -11.382 1.00 52.12 H new ATOM 0 HA VAL A 109 -34.678 -13.035 -12.611 1.00 22.42 H new ATOM 0 HB VAL A 109 -37.048 -12.481 -12.472 1.00 25.41 H new ATOM 0 HG11 VAL A 109 -38.032 -14.545 -13.375 1.00 75.35 H new ATOM 0 HG12 VAL A 109 -36.412 -14.237 -14.043 1.00 75.35 H new ATOM 0 HG13 VAL A 109 -36.633 -15.469 -12.778 1.00 75.35 H new ATOM 0 HG21 VAL A 109 -38.603 -13.798 -11.093 1.00 54.45 H new ATOM 0 HG22 VAL A 109 -37.227 -14.688 -10.400 1.00 54.45 H new ATOM 0 HG23 VAL A 109 -37.399 -12.943 -10.099 1.00 54.45 H new ATOM 1735 N PRO A 110 -34.792 -11.072 -11.004 1.00 62.35 N ATOM 1736 CA PRO A 110 -34.586 -9.975 -10.053 1.00 33.51 C ATOM 1737 C PRO A 110 -35.865 -9.604 -9.311 1.00 70.24 C ATOM 1738 O PRO A 110 -36.969 -9.817 -9.812 1.00 45.33 O ATOM 1739 CB PRO A 110 -34.127 -8.818 -10.942 1.00 3.23 C ATOM 1740 CG PRO A 110 -34.696 -9.122 -12.285 1.00 3.21 C ATOM 1741 CD PRO A 110 -34.701 -10.621 -12.403 1.00 1.42 C ATOM 0 HA PRO A 110 -33.872 -10.239 -9.273 1.00 33.51 H new ATOM 0 HB2 PRO A 110 -34.490 -7.862 -10.566 1.00 3.23 H new ATOM 0 HB3 PRO A 110 -33.039 -8.754 -10.978 1.00 3.23 H new ATOM 0 HG2 PRO A 110 -35.704 -8.720 -12.382 1.00 3.21 H new ATOM 0 HG3 PRO A 110 -34.095 -8.670 -13.075 1.00 3.21 H new ATOM 0 HD2 PRO A 110 -35.545 -10.975 -12.995 1.00 1.42 H new ATOM 0 HD3 PRO A 110 -33.796 -10.989 -12.886 1.00 1.42 H new ATOM 1749 N SER A 111 -35.709 -9.045 -8.115 1.00 3.33 N ATOM 1750 CA SER A 111 -36.851 -8.646 -7.302 1.00 43.02 C ATOM 1751 C SER A 111 -36.985 -7.126 -7.265 1.00 42.15 C ATOM 1752 O SER A 111 -36.089 -6.424 -6.801 1.00 34.51 O ATOM 1753 CB SER A 111 -36.709 -9.192 -5.881 1.00 13.32 C ATOM 1754 OG SER A 111 -36.626 -10.607 -5.884 1.00 21.01 O ATOM 0 H SER A 111 -34.802 -8.858 -7.688 1.00 3.33 H new ATOM 0 HA SER A 111 -37.751 -9.063 -7.754 1.00 43.02 H new ATOM 0 HB2 SER A 111 -35.817 -8.773 -5.415 1.00 13.32 H new ATOM 0 HB3 SER A 111 -37.561 -8.876 -5.280 1.00 13.32 H new ATOM 0 HG SER A 111 -36.534 -10.931 -4.964 1.00 21.01 H new ATOM 1760 N GLY A 112 -38.115 -6.626 -7.755 1.00 63.22 N ATOM 1761 CA GLY A 112 -38.349 -5.194 -7.768 1.00 71.33 C ATOM 1762 C GLY A 112 -38.063 -4.572 -9.121 1.00 12.13 C ATOM 1763 O GLY A 112 -37.151 -3.759 -9.273 1.00 31.33 O ATOM 0 H GLY A 112 -38.873 -7.187 -8.143 1.00 63.22 H new ATOM 0 HA2 GLY A 112 -39.385 -4.996 -7.492 1.00 71.33 H new ATOM 0 HA3 GLY A 112 -37.722 -4.720 -7.013 1.00 71.33 H new ATOM 1767 N PRO A 113 -38.853 -4.958 -10.133 1.00 11.11 N ATOM 1768 CA PRO A 113 -38.699 -4.446 -11.498 1.00 12.22 C ATOM 1769 C PRO A 113 -39.099 -2.979 -11.616 1.00 34.22 C ATOM 1770 O PRO A 113 -39.785 -2.442 -10.747 1.00 20.24 O ATOM 1771 CB PRO A 113 -39.647 -5.326 -12.316 1.00 55.12 C ATOM 1772 CG PRO A 113 -40.672 -5.789 -11.339 1.00 25.22 C ATOM 1773 CD PRO A 113 -39.960 -5.924 -10.022 1.00 34.34 C ATOM 0 HA PRO A 113 -37.663 -4.486 -11.833 1.00 12.22 H new ATOM 0 HB2 PRO A 113 -40.103 -4.765 -13.132 1.00 55.12 H new ATOM 0 HB3 PRO A 113 -39.118 -6.167 -12.764 1.00 55.12 H new ATOM 0 HG2 PRO A 113 -41.493 -5.075 -11.267 1.00 25.22 H new ATOM 0 HG3 PRO A 113 -41.104 -6.741 -11.648 1.00 25.22 H new ATOM 0 HD2 PRO A 113 -40.616 -5.689 -9.184 1.00 34.34 H new ATOM 0 HD3 PRO A 113 -39.594 -6.939 -9.865 1.00 34.34 H new ATOM 1781 N SER A 114 -38.664 -2.337 -12.696 1.00 70.34 N ATOM 1782 CA SER A 114 -38.975 -0.932 -12.926 1.00 30.41 C ATOM 1783 C SER A 114 -39.339 -0.687 -14.387 1.00 12.30 C ATOM 1784 O SER A 114 -40.500 -0.451 -14.718 1.00 4.51 O ATOM 1785 CB SER A 114 -37.786 -0.054 -12.530 1.00 34.03 C ATOM 1786 OG SER A 114 -37.813 0.247 -11.145 1.00 3.11 O ATOM 0 H SER A 114 -38.095 -2.768 -13.425 1.00 70.34 H new ATOM 0 HA SER A 114 -39.834 -0.670 -12.308 1.00 30.41 H new ATOM 0 HB2 SER A 114 -36.855 -0.565 -12.776 1.00 34.03 H new ATOM 0 HB3 SER A 114 -37.805 0.871 -13.107 1.00 34.03 H new ATOM 0 HG SER A 114 -37.042 0.807 -10.917 1.00 3.11 H new ATOM 1792 N SER A 115 -38.335 -0.746 -15.257 1.00 20.22 N ATOM 1793 CA SER A 115 -38.546 -0.528 -16.684 1.00 3.20 C ATOM 1794 C SER A 115 -38.926 0.924 -16.960 1.00 45.20 C ATOM 1795 O SER A 115 -40.106 1.267 -17.029 1.00 0.04 O ATOM 1796 CB SER A 115 -39.639 -1.461 -17.208 1.00 20.21 C ATOM 1797 OG SER A 115 -39.435 -2.789 -16.757 1.00 11.03 O ATOM 0 H SER A 115 -37.368 -0.943 -14.999 1.00 20.22 H new ATOM 0 HA SER A 115 -37.612 -0.747 -17.202 1.00 3.20 H new ATOM 0 HB2 SER A 115 -40.615 -1.106 -16.875 1.00 20.21 H new ATOM 0 HB3 SER A 115 -39.647 -1.441 -18.298 1.00 20.21 H new ATOM 0 HG SER A 115 -40.148 -3.365 -17.104 1.00 11.03 H new ATOM 1803 N GLY A 116 -37.916 1.774 -17.118 1.00 72.11 N ATOM 1804 CA GLY A 116 -38.162 3.179 -17.385 1.00 50.41 C ATOM 1805 C GLY A 116 -36.897 3.931 -17.749 1.00 40.13 C ATOM 1806 O GLY A 116 -36.607 4.136 -18.927 1.00 3.42 O ATOM 0 H GLY A 116 -36.931 1.514 -17.066 1.00 72.11 H new ATOM 0 HA2 GLY A 116 -38.882 3.270 -18.198 1.00 50.41 H new ATOM 0 HA3 GLY A 116 -38.614 3.639 -16.506 1.00 50.41 H new TER 1810 GLY A 116