USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 989 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= -0.0845 X(o=-0.085,f=-0.29) USER MOD Single : A 9 THR OG1 : rot -73:sc= 1.31 USER MOD Single : A 10 LYS NZ :NH3+ -146:sc= 0.515 (180deg=-0.657) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc=-0.00439 X(o=-0.0044,f=-0.21!) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 30 LYS NZ :NH3+ 160:sc= 0.136 (180deg=0.0603) USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0151) USER MOD Single : A 33 ASN : amide:sc= -0.437 X(o=-0.44,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= 0.899 (180deg=-0.851!) USER MOD Single : A 50 TYR OH : rot 20:sc= 0.0216 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -175:sc= 0.611 (180deg=0.571) USER MOD Single : A 61 LYS NZ :NH3+ -170:sc= 1.21 (180deg=1.15) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0085 USER MOD Single : A 68 SER OG : rot 8:sc= 0.883 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -153:sc= 1.28 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0756 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -29:sc= 0.811 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-3.7!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -18:sc= 0.324 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.1) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0828 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.013) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 122 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0289) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.269 -8.281 18.920 1.00 62.13 N ATOM 2 CA GLY A 1 17.867 -9.086 17.853 1.00 33.21 C ATOM 3 C GLY A 1 17.590 -10.573 18.034 1.00 52.34 C ATOM 4 O GLY A 1 16.426 -10.976 18.089 1.00 61.25 O ATOM 0 H1 GLY A 1 17.482 -7.276 18.758 1.00 62.13 H new ATOM 0 H2 GLY A 1 16.238 -8.420 18.924 1.00 62.13 H new ATOM 0 H3 GLY A 1 17.661 -8.574 19.837 1.00 62.13 H new ATOM 0 HA2 GLY A 1 17.475 -8.759 16.890 1.00 33.21 H new ATOM 0 HA3 GLY A 1 18.944 -8.918 17.833 1.00 33.21 H new ATOM 8 N SER A 2 18.647 -11.380 18.146 1.00 1.22 N ATOM 9 CA SER A 2 18.629 -12.831 18.307 1.00 42.44 C ATOM 10 C SER A 2 17.998 -13.507 17.084 1.00 3.21 C ATOM 11 O SER A 2 18.697 -13.643 16.078 1.00 63.42 O ATOM 12 CB SER A 2 18.035 -13.257 19.655 1.00 43.32 C ATOM 13 OG SER A 2 18.771 -12.712 20.732 1.00 13.14 O ATOM 0 H SER A 2 19.598 -11.012 18.125 1.00 1.22 H new ATOM 0 HA SER A 2 19.657 -13.191 18.345 1.00 42.44 H new ATOM 0 HB2 SER A 2 16.997 -12.930 19.718 1.00 43.32 H new ATOM 0 HB3 SER A 2 18.032 -14.345 19.727 1.00 43.32 H new ATOM 0 HG SER A 2 18.370 -12.997 21.580 1.00 13.14 H new ATOM 19 N ASN A 3 16.733 -13.949 17.130 1.00 72.34 N ATOM 20 CA ASN A 3 16.104 -14.593 15.975 1.00 74.35 C ATOM 21 C ASN A 3 16.084 -13.627 14.801 1.00 30.03 C ATOM 22 O ASN A 3 15.629 -12.487 14.923 1.00 72.22 O ATOM 23 CB ASN A 3 14.689 -15.095 16.279 1.00 74.24 C ATOM 24 CG ASN A 3 13.817 -15.222 15.031 1.00 34.44 C ATOM 25 OD1 ASN A 3 12.900 -14.429 14.813 1.00 14.24 O ATOM 26 ND2 ASN A 3 14.091 -16.175 14.157 1.00 51.21 N ATOM 0 H ASN A 3 16.131 -13.872 17.950 1.00 72.34 H new ATOM 0 HA ASN A 3 16.700 -15.470 15.723 1.00 74.35 H new ATOM 0 HB2 ASN A 3 14.752 -16.066 16.771 1.00 74.24 H new ATOM 0 HB3 ASN A 3 14.211 -14.412 16.981 1.00 74.24 H new ATOM 0 HD21 ASN A 3 13.543 -16.255 13.301 1.00 51.21 H new ATOM 0 HD22 ASN A 3 14.851 -16.831 14.339 1.00 51.21 H new ATOM 33 N GLN A 4 16.585 -14.095 13.668 1.00 73.30 N ATOM 34 CA GLN A 4 16.674 -13.359 12.427 1.00 62.32 C ATOM 35 C GLN A 4 16.740 -14.374 11.288 1.00 2.11 C ATOM 36 O GLN A 4 17.074 -15.533 11.541 1.00 2.12 O ATOM 37 CB GLN A 4 17.890 -12.425 12.460 1.00 25.11 C ATOM 38 CG GLN A 4 19.178 -13.236 12.605 1.00 24.20 C ATOM 39 CD GLN A 4 20.409 -12.405 12.951 1.00 62.51 C ATOM 40 OE1 GLN A 4 20.452 -11.192 12.748 1.00 32.33 O ATOM 41 NE2 GLN A 4 21.425 -13.029 13.532 1.00 63.43 N ATOM 0 H GLN A 4 16.956 -15.042 13.591 1.00 73.30 H new ATOM 0 HA GLN A 4 15.802 -12.723 12.276 1.00 62.32 H new ATOM 0 HB2 GLN A 4 17.927 -11.832 11.546 1.00 25.11 H new ATOM 0 HB3 GLN A 4 17.797 -11.725 13.291 1.00 25.11 H new ATOM 0 HG2 GLN A 4 19.034 -13.989 13.379 1.00 24.20 H new ATOM 0 HG3 GLN A 4 19.365 -13.769 11.673 1.00 24.20 H new ATOM 0 HE21 GLN A 4 21.379 -14.035 13.696 1.00 63.43 H new ATOM 0 HE22 GLN A 4 22.252 -12.503 13.815 1.00 63.43 H new ATOM 50 N GLN A 5 16.404 -13.964 10.063 1.00 20.14 N ATOM 51 CA GLN A 5 16.426 -14.838 8.891 1.00 71.44 C ATOM 52 C GLN A 5 16.686 -14.029 7.619 1.00 63.25 C ATOM 53 O GLN A 5 15.862 -14.005 6.703 1.00 43.12 O ATOM 54 CB GLN A 5 15.107 -15.600 8.752 1.00 71.02 C ATOM 55 CG GLN A 5 14.851 -16.687 9.798 1.00 23.30 C ATOM 56 CD GLN A 5 13.519 -17.379 9.536 1.00 61.01 C ATOM 57 OE1 GLN A 5 12.473 -16.925 10.005 1.00 52.02 O ATOM 58 NE2 GLN A 5 13.504 -18.450 8.762 1.00 20.13 N ATOM 0 H GLN A 5 16.107 -13.010 9.856 1.00 20.14 H new ATOM 0 HA GLN A 5 17.234 -15.556 9.029 1.00 71.44 H new ATOM 0 HB2 GLN A 5 14.288 -14.882 8.795 1.00 71.02 H new ATOM 0 HB3 GLN A 5 15.077 -16.059 7.764 1.00 71.02 H new ATOM 0 HG2 GLN A 5 15.658 -17.419 9.775 1.00 23.30 H new ATOM 0 HG3 GLN A 5 14.848 -16.247 10.795 1.00 23.30 H new ATOM 0 HE21 GLN A 5 14.376 -18.816 8.380 1.00 20.13 H new ATOM 0 HE22 GLN A 5 12.620 -18.911 8.546 1.00 20.13 H new ATOM 67 N LEU A 6 17.805 -13.322 7.613 1.00 2.12 N ATOM 68 CA LEU A 6 18.349 -12.467 6.548 1.00 3.50 C ATOM 69 C LEU A 6 17.250 -11.796 5.710 1.00 42.34 C ATOM 70 O LEU A 6 17.137 -12.023 4.505 1.00 3.11 O ATOM 71 CB LEU A 6 19.315 -13.298 5.677 1.00 63.45 C ATOM 72 CG LEU A 6 20.508 -13.898 6.448 1.00 33.03 C ATOM 73 CD1 LEU A 6 21.206 -14.953 5.591 1.00 22.41 C ATOM 74 CD2 LEU A 6 21.553 -12.830 6.799 1.00 3.20 C ATOM 0 H LEU A 6 18.420 -13.327 8.427 1.00 2.12 H new ATOM 0 HA LEU A 6 18.900 -11.648 7.010 1.00 3.50 H new ATOM 0 HB2 LEU A 6 18.757 -14.108 5.207 1.00 63.45 H new ATOM 0 HB3 LEU A 6 19.697 -12.667 4.875 1.00 63.45 H new ATOM 0 HG LEU A 6 20.107 -14.332 7.364 1.00 33.03 H new ATOM 0 HD11 LEU A 6 22.047 -15.372 6.143 1.00 22.41 H new ATOM 0 HD12 LEU A 6 20.501 -15.748 5.346 1.00 22.41 H new ATOM 0 HD13 LEU A 6 21.568 -14.493 4.671 1.00 22.41 H new ATOM 0 HD21 LEU A 6 22.378 -13.292 7.342 1.00 3.20 H new ATOM 0 HD22 LEU A 6 21.931 -12.376 5.883 1.00 3.20 H new ATOM 0 HD23 LEU A 6 21.094 -12.062 7.422 1.00 3.20 H new ATOM 86 N ASN A 7 16.377 -11.026 6.361 1.00 74.32 N ATOM 87 CA ASN A 7 15.268 -10.316 5.731 1.00 32.34 C ATOM 88 C ASN A 7 14.952 -9.038 6.503 1.00 21.10 C ATOM 89 O ASN A 7 15.205 -8.983 7.709 1.00 54.15 O ATOM 90 CB ASN A 7 14.023 -11.200 5.639 1.00 4.33 C ATOM 91 CG ASN A 7 13.331 -11.418 6.979 1.00 2.34 C ATOM 92 OD1 ASN A 7 12.293 -10.834 7.264 1.00 11.11 O ATOM 93 ND2 ASN A 7 13.850 -12.299 7.810 1.00 70.14 N ATOM 0 H ASN A 7 16.425 -10.876 7.369 1.00 74.32 H new ATOM 0 HA ASN A 7 15.570 -10.054 4.717 1.00 32.34 H new ATOM 0 HB2 ASN A 7 13.316 -10.747 4.944 1.00 4.33 H new ATOM 0 HB3 ASN A 7 14.304 -12.167 5.223 1.00 4.33 H new ATOM 0 HD21 ASN A 7 13.387 -12.498 8.697 1.00 70.14 H new ATOM 0 HD22 ASN A 7 14.715 -12.782 7.567 1.00 70.14 H new ATOM 100 N ALA A 8 14.321 -8.084 5.813 1.00 22.01 N ATOM 101 CA ALA A 8 13.929 -6.764 6.286 1.00 62.01 C ATOM 102 C ALA A 8 13.319 -6.733 7.684 1.00 52.35 C ATOM 103 O ALA A 8 13.957 -6.225 8.609 1.00 2.31 O ATOM 104 CB ALA A 8 13.006 -6.087 5.271 1.00 44.43 C ATOM 0 H ALA A 8 14.054 -8.230 4.839 1.00 22.01 H new ATOM 0 HA ALA A 8 14.858 -6.202 6.377 1.00 62.01 H new ATOM 0 HB1 ALA A 8 12.722 -5.101 5.639 1.00 44.43 H new ATOM 0 HB2 ALA A 8 13.526 -5.983 4.319 1.00 44.43 H new ATOM 0 HB3 ALA A 8 12.112 -6.694 5.131 1.00 44.43 H new ATOM 110 N THR A 9 12.088 -7.230 7.840 1.00 25.43 N ATOM 111 CA THR A 9 11.414 -7.231 9.134 1.00 71.15 C ATOM 112 C THR A 9 10.739 -8.572 9.430 1.00 22.02 C ATOM 113 O THR A 9 10.911 -9.104 10.535 1.00 23.32 O ATOM 114 CB THR A 9 10.457 -6.026 9.263 1.00 12.45 C ATOM 115 OG1 THR A 9 9.388 -6.053 8.337 1.00 44.33 O ATOM 116 CG2 THR A 9 11.169 -4.669 9.180 1.00 41.22 C ATOM 0 H THR A 9 11.540 -7.637 7.082 1.00 25.43 H new ATOM 0 HA THR A 9 12.173 -7.110 9.907 1.00 71.15 H new ATOM 0 HB THR A 9 10.042 -6.133 10.265 1.00 12.45 H new ATOM 0 HG1 THR A 9 9.725 -5.836 7.442 1.00 44.33 H new ATOM 0 HG21 THR A 9 10.437 -3.867 9.278 1.00 41.22 H new ATOM 0 HG22 THR A 9 11.901 -4.592 9.984 1.00 41.22 H new ATOM 0 HG23 THR A 9 11.676 -4.582 8.219 1.00 41.22 H new ATOM 124 N LYS A 10 9.953 -9.099 8.489 1.00 1.44 N ATOM 125 CA LYS A 10 9.214 -10.361 8.523 1.00 61.51 C ATOM 126 C LYS A 10 8.435 -10.453 7.212 1.00 43.14 C ATOM 127 O LYS A 10 8.023 -9.405 6.713 1.00 0.14 O ATOM 128 CB LYS A 10 8.206 -10.418 9.695 1.00 0.13 C ATOM 129 CG LYS A 10 8.266 -11.768 10.420 1.00 75.41 C ATOM 130 CD LYS A 10 9.425 -11.931 11.417 1.00 74.23 C ATOM 131 CE LYS A 10 9.213 -11.333 12.813 1.00 34.21 C ATOM 132 NZ LYS A 10 9.208 -9.862 12.835 1.00 11.44 N ATOM 0 H LYS A 10 9.805 -8.610 7.606 1.00 1.44 H new ATOM 0 HA LYS A 10 9.918 -11.182 8.656 1.00 61.51 H new ATOM 0 HB2 LYS A 10 8.420 -9.615 10.400 1.00 0.13 H new ATOM 0 HB3 LYS A 10 7.197 -10.251 9.318 1.00 0.13 H new ATOM 0 HG2 LYS A 10 7.327 -11.917 10.953 1.00 75.41 H new ATOM 0 HG3 LYS A 10 8.337 -12.559 9.674 1.00 75.41 H new ATOM 0 HD2 LYS A 10 9.632 -12.995 11.529 1.00 74.23 H new ATOM 0 HD3 LYS A 10 10.316 -11.477 10.983 1.00 74.23 H new ATOM 0 HE2 LYS A 10 8.267 -11.696 13.214 1.00 34.21 H new ATOM 0 HE3 LYS A 10 9.999 -11.694 13.476 1.00 34.21 H new ATOM 0 HZ1 LYS A 10 9.627 -9.527 13.726 1.00 11.44 H new ATOM 0 HZ2 LYS A 10 9.763 -9.501 12.033 1.00 11.44 H new ATOM 0 HZ3 LYS A 10 8.230 -9.517 12.762 1.00 11.44 H new ATOM 146 N LYS A 11 8.139 -11.671 6.746 1.00 70.24 N ATOM 147 CA LYS A 11 7.402 -12.005 5.520 1.00 21.34 C ATOM 148 C LYS A 11 8.036 -11.480 4.241 1.00 31.21 C ATOM 149 O LYS A 11 8.287 -10.289 4.087 1.00 34.52 O ATOM 150 CB LYS A 11 5.926 -11.617 5.631 1.00 11.12 C ATOM 151 CG LYS A 11 5.202 -12.595 6.554 1.00 65.21 C ATOM 152 CD LYS A 11 3.769 -12.137 6.806 1.00 72.50 C ATOM 153 CE LYS A 11 3.071 -13.149 7.712 1.00 31.42 C ATOM 154 NZ LYS A 11 2.642 -14.364 6.989 1.00 61.31 N ATOM 0 H LYS A 11 8.428 -12.509 7.250 1.00 70.24 H new ATOM 0 HA LYS A 11 7.462 -13.090 5.433 1.00 21.34 H new ATOM 0 HB2 LYS A 11 5.835 -10.602 6.018 1.00 11.12 H new ATOM 0 HB3 LYS A 11 5.463 -11.624 4.644 1.00 11.12 H new ATOM 0 HG2 LYS A 11 5.198 -13.589 6.108 1.00 65.21 H new ATOM 0 HG3 LYS A 11 5.736 -12.673 7.501 1.00 65.21 H new ATOM 0 HD2 LYS A 11 3.766 -11.151 7.271 1.00 72.50 H new ATOM 0 HD3 LYS A 11 3.232 -12.045 5.862 1.00 72.50 H new ATOM 0 HE2 LYS A 11 3.745 -13.432 8.520 1.00 31.42 H new ATOM 0 HE3 LYS A 11 2.202 -12.679 8.172 1.00 31.42 H new ATOM 0 HZ1 LYS A 11 2.175 -15.015 7.652 1.00 61.31 H new ATOM 0 HZ2 LYS A 11 1.977 -14.102 6.234 1.00 61.31 H new ATOM 0 HZ3 LYS A 11 3.472 -14.831 6.572 1.00 61.31 H new ATOM 168 N ASP A 12 8.253 -12.392 3.295 1.00 43.23 N ATOM 169 CA ASP A 12 8.861 -12.110 2.000 1.00 4.30 C ATOM 170 C ASP A 12 7.988 -11.155 1.192 1.00 2.34 C ATOM 171 O ASP A 12 8.500 -10.386 0.382 1.00 30.53 O ATOM 172 CB ASP A 12 9.082 -13.407 1.220 1.00 20.41 C ATOM 173 CG ASP A 12 10.235 -14.255 1.746 1.00 63.34 C ATOM 174 OD1 ASP A 12 11.357 -13.743 1.915 1.00 53.03 O ATOM 175 OD2 ASP A 12 10.039 -15.471 1.988 1.00 22.25 O ATOM 0 H ASP A 12 8.003 -13.374 3.413 1.00 43.23 H new ATOM 0 HA ASP A 12 9.827 -11.635 2.173 1.00 4.30 H new ATOM 0 HB2 ASP A 12 8.166 -13.998 1.249 1.00 20.41 H new ATOM 0 HB3 ASP A 12 9.271 -13.163 0.174 1.00 20.41 H new ATOM 180 N LYS A 13 6.665 -11.185 1.393 1.00 74.43 N ATOM 181 CA LYS A 13 5.763 -10.290 0.690 1.00 25.02 C ATOM 182 C LYS A 13 6.010 -8.889 1.235 1.00 71.24 C ATOM 183 O LYS A 13 6.284 -7.976 0.467 1.00 72.20 O ATOM 184 CB LYS A 13 4.300 -10.691 0.934 1.00 11.01 C ATOM 185 CG LYS A 13 3.919 -12.122 0.530 1.00 54.45 C ATOM 186 CD LYS A 13 3.549 -12.288 -0.952 1.00 52.13 C ATOM 187 CE LYS A 13 4.790 -12.523 -1.818 1.00 53.15 C ATOM 188 NZ LYS A 13 4.449 -12.999 -3.176 1.00 5.52 N ATOM 0 H LYS A 13 6.203 -11.824 2.040 1.00 74.43 H new ATOM 0 HA LYS A 13 5.944 -10.335 -0.384 1.00 25.02 H new ATOM 0 HB2 LYS A 13 4.081 -10.563 1.994 1.00 11.01 H new ATOM 0 HB3 LYS A 13 3.658 -9.998 0.390 1.00 11.01 H new ATOM 0 HG2 LYS A 13 4.753 -12.785 0.760 1.00 54.45 H new ATOM 0 HG3 LYS A 13 3.076 -12.446 1.140 1.00 54.45 H new ATOM 0 HD2 LYS A 13 2.862 -13.126 -1.065 1.00 52.13 H new ATOM 0 HD3 LYS A 13 3.025 -11.397 -1.299 1.00 52.13 H new ATOM 0 HE2 LYS A 13 5.358 -11.596 -1.893 1.00 53.15 H new ATOM 0 HE3 LYS A 13 5.436 -13.254 -1.331 1.00 53.15 H new ATOM 0 HZ1 LYS A 13 5.322 -13.143 -3.723 1.00 5.52 H new ATOM 0 HZ2 LYS A 13 3.930 -13.898 -3.109 1.00 5.52 H new ATOM 0 HZ3 LYS A 13 3.855 -12.291 -3.653 1.00 5.52 H new ATOM 202 N LEU A 14 5.976 -8.731 2.560 1.00 60.54 N ATOM 203 CA LEU A 14 6.181 -7.449 3.220 1.00 75.55 C ATOM 204 C LEU A 14 7.596 -6.922 3.005 1.00 60.54 C ATOM 205 O LEU A 14 7.784 -5.709 3.029 1.00 2.04 O ATOM 206 CB LEU A 14 5.866 -7.548 4.714 1.00 72.33 C ATOM 207 CG LEU A 14 4.500 -8.166 5.058 1.00 65.22 C ATOM 208 CD1 LEU A 14 4.319 -8.122 6.574 1.00 42.31 C ATOM 209 CD2 LEU A 14 3.338 -7.462 4.355 1.00 3.52 C ATOM 0 H LEU A 14 5.803 -9.500 3.207 1.00 60.54 H new ATOM 0 HA LEU A 14 5.491 -6.737 2.766 1.00 75.55 H new ATOM 0 HB2 LEU A 14 6.645 -8.140 5.194 1.00 72.33 H new ATOM 0 HB3 LEU A 14 5.913 -6.548 5.146 1.00 72.33 H new ATOM 0 HG LEU A 14 4.489 -9.196 4.700 1.00 65.22 H new ATOM 0 HD11 LEU A 14 3.355 -8.556 6.838 1.00 42.31 H new ATOM 0 HD12 LEU A 14 5.116 -8.691 7.052 1.00 42.31 H new ATOM 0 HD13 LEU A 14 4.356 -7.087 6.915 1.00 42.31 H new ATOM 0 HD21 LEU A 14 2.400 -7.941 4.635 1.00 3.52 H new ATOM 0 HD22 LEU A 14 3.314 -6.414 4.653 1.00 3.52 H new ATOM 0 HD23 LEU A 14 3.471 -7.529 3.275 1.00 3.52 H new ATOM 221 N GLN A 15 8.562 -7.808 2.748 1.00 51.54 N ATOM 222 CA GLN A 15 9.959 -7.478 2.510 1.00 41.11 C ATOM 223 C GLN A 15 10.086 -6.508 1.332 1.00 4.22 C ATOM 224 O GLN A 15 10.894 -5.579 1.400 1.00 42.22 O ATOM 225 CB GLN A 15 10.742 -8.771 2.222 1.00 54.14 C ATOM 226 CG GLN A 15 12.248 -8.608 2.427 1.00 43.12 C ATOM 227 CD GLN A 15 13.046 -9.707 1.733 1.00 50.14 C ATOM 228 OE1 GLN A 15 13.875 -9.419 0.873 1.00 75.02 O ATOM 229 NE2 GLN A 15 12.854 -10.968 2.086 1.00 22.15 N ATOM 0 H GLN A 15 8.380 -8.810 2.699 1.00 51.54 H new ATOM 0 HA GLN A 15 10.370 -6.994 3.396 1.00 41.11 H new ATOM 0 HB2 GLN A 15 10.375 -9.565 2.872 1.00 54.14 H new ATOM 0 HB3 GLN A 15 10.551 -9.085 1.196 1.00 54.14 H new ATOM 0 HG2 GLN A 15 12.562 -7.637 2.045 1.00 43.12 H new ATOM 0 HG3 GLN A 15 12.471 -8.618 3.494 1.00 43.12 H new ATOM 0 HE21 GLN A 15 12.164 -11.198 2.801 1.00 22.15 H new ATOM 0 HE22 GLN A 15 13.396 -11.710 1.643 1.00 22.15 H new ATOM 238 N VAL A 16 9.272 -6.681 0.279 1.00 62.03 N ATOM 239 CA VAL A 16 9.362 -5.775 -0.858 1.00 61.35 C ATOM 240 C VAL A 16 8.836 -4.390 -0.476 1.00 43.44 C ATOM 241 O VAL A 16 9.356 -3.382 -0.954 1.00 23.33 O ATOM 242 CB VAL A 16 8.715 -6.333 -2.145 1.00 51.23 C ATOM 243 CG1 VAL A 16 9.075 -7.801 -2.417 1.00 50.20 C ATOM 244 CG2 VAL A 16 7.198 -6.164 -2.202 1.00 40.42 C ATOM 0 H VAL A 16 8.569 -7.416 0.198 1.00 62.03 H new ATOM 0 HA VAL A 16 10.418 -5.675 -1.110 1.00 61.35 H new ATOM 0 HB VAL A 16 9.148 -5.717 -2.933 1.00 51.23 H new ATOM 0 HG11 VAL A 16 8.588 -8.131 -3.335 1.00 50.20 H new ATOM 0 HG12 VAL A 16 10.155 -7.897 -2.524 1.00 50.20 H new ATOM 0 HG13 VAL A 16 8.737 -8.419 -1.585 1.00 50.20 H new ATOM 0 HG21 VAL A 16 6.820 -6.581 -3.136 1.00 40.42 H new ATOM 0 HG22 VAL A 16 6.742 -6.686 -1.361 1.00 40.42 H new ATOM 0 HG23 VAL A 16 6.948 -5.104 -2.150 1.00 40.42 H new ATOM 254 N ILE A 17 7.789 -4.350 0.360 1.00 23.42 N ATOM 255 CA ILE A 17 7.182 -3.115 0.833 1.00 40.14 C ATOM 256 C ILE A 17 8.232 -2.398 1.689 1.00 72.11 C ATOM 257 O ILE A 17 8.375 -1.188 1.615 1.00 41.22 O ATOM 258 CB ILE A 17 5.872 -3.363 1.626 1.00 51.32 C ATOM 259 CG1 ILE A 17 4.947 -4.441 1.015 1.00 15.12 C ATOM 260 CG2 ILE A 17 5.105 -2.037 1.736 1.00 13.22 C ATOM 261 CD1 ILE A 17 3.674 -4.677 1.846 1.00 5.10 C ATOM 0 H ILE A 17 7.340 -5.189 0.727 1.00 23.42 H new ATOM 0 HA ILE A 17 6.888 -2.498 -0.016 1.00 40.14 H new ATOM 0 HB ILE A 17 6.168 -3.745 2.603 1.00 51.32 H new ATOM 0 HG12 ILE A 17 4.666 -4.142 0.005 1.00 15.12 H new ATOM 0 HG13 ILE A 17 5.497 -5.378 0.928 1.00 15.12 H new ATOM 0 HG21 ILE A 17 4.181 -2.196 2.292 1.00 13.22 H new ATOM 0 HG22 ILE A 17 5.720 -1.303 2.257 1.00 13.22 H new ATOM 0 HG23 ILE A 17 4.869 -1.669 0.737 1.00 13.22 H new ATOM 0 HD11 ILE A 17 3.064 -5.444 1.368 1.00 5.10 H new ATOM 0 HD12 ILE A 17 3.949 -5.005 2.848 1.00 5.10 H new ATOM 0 HD13 ILE A 17 3.105 -3.750 1.911 1.00 5.10 H new ATOM 273 N ASP A 18 8.977 -3.148 2.495 1.00 51.41 N ATOM 274 CA ASP A 18 10.024 -2.623 3.365 1.00 1.24 C ATOM 275 C ASP A 18 11.130 -1.969 2.545 1.00 74.33 C ATOM 276 O ASP A 18 11.641 -0.928 2.964 1.00 23.20 O ATOM 277 CB ASP A 18 10.640 -3.732 4.232 1.00 54.33 C ATOM 278 CG ASP A 18 10.201 -3.667 5.690 1.00 63.42 C ATOM 279 OD1 ASP A 18 9.715 -4.703 6.202 1.00 12.13 O ATOM 280 OD2 ASP A 18 10.254 -2.588 6.323 1.00 42.23 O ATOM 0 H ASP A 18 8.867 -4.160 2.563 1.00 51.41 H new ATOM 0 HA ASP A 18 9.559 -1.881 4.014 1.00 1.24 H new ATOM 0 HB2 ASP A 18 10.364 -4.702 3.819 1.00 54.33 H new ATOM 0 HB3 ASP A 18 11.727 -3.662 4.183 1.00 54.33 H new ATOM 285 N TRP A 19 11.496 -2.556 1.391 1.00 11.20 N ATOM 286 CA TRP A 19 12.556 -1.973 0.582 1.00 52.45 C ATOM 287 C TRP A 19 12.081 -0.631 0.039 1.00 15.45 C ATOM 288 O TRP A 19 12.686 0.368 0.422 1.00 53.20 O ATOM 289 CB TRP A 19 13.041 -2.936 -0.521 1.00 32.35 C ATOM 290 CG TRP A 19 13.018 -2.454 -1.947 1.00 60.04 C ATOM 291 CD1 TRP A 19 13.594 -1.334 -2.447 1.00 41.33 C ATOM 292 CD2 TRP A 19 12.321 -3.038 -3.080 1.00 61.33 C ATOM 293 NE1 TRP A 19 13.311 -1.188 -3.774 1.00 75.14 N ATOM 294 CE2 TRP A 19 12.498 -2.192 -4.205 1.00 54.12 C ATOM 295 CE3 TRP A 19 11.581 -4.213 -3.292 1.00 52.45 C ATOM 296 CZ2 TRP A 19 11.963 -2.475 -5.453 1.00 45.41 C ATOM 297 CZ3 TRP A 19 10.993 -4.497 -4.535 1.00 32.24 C ATOM 298 CH2 TRP A 19 11.174 -3.623 -5.615 1.00 10.42 C ATOM 0 H TRP A 19 11.081 -3.409 1.015 1.00 11.20 H new ATOM 0 HA TRP A 19 13.433 -1.799 1.205 1.00 52.45 H new ATOM 0 HB2 TRP A 19 14.065 -3.225 -0.284 1.00 32.35 H new ATOM 0 HB3 TRP A 19 12.434 -3.839 -0.465 1.00 32.35 H new ATOM 0 HD1 TRP A 19 14.197 -0.648 -1.871 1.00 41.33 H new ATOM 0 HE1 TRP A 19 13.660 -0.431 -4.362 1.00 75.14 H new ATOM 0 HE3 TRP A 19 11.462 -4.915 -2.480 1.00 52.45 H new ATOM 0 HZ2 TRP A 19 12.152 -1.819 -6.290 1.00 45.41 H new ATOM 0 HZ3 TRP A 19 10.400 -5.391 -4.659 1.00 32.24 H new ATOM 0 HH2 TRP A 19 10.709 -3.832 -6.567 1.00 10.42 H new ATOM 309 N LEU A 20 10.956 -0.563 -0.691 1.00 72.14 N ATOM 310 CA LEU A 20 10.436 0.694 -1.224 1.00 22.03 C ATOM 311 C LEU A 20 10.153 1.711 -0.112 1.00 22.14 C ATOM 312 O LEU A 20 10.380 2.899 -0.331 1.00 1.44 O ATOM 313 CB LEU A 20 9.236 0.452 -2.151 1.00 54.13 C ATOM 314 CG LEU A 20 8.025 -0.250 -1.512 1.00 52.52 C ATOM 315 CD1 LEU A 20 6.969 0.724 -0.990 1.00 3.23 C ATOM 316 CD2 LEU A 20 7.348 -1.192 -2.502 1.00 11.53 C ATOM 0 H LEU A 20 10.388 -1.377 -0.924 1.00 72.14 H new ATOM 0 HA LEU A 20 11.212 1.145 -1.843 1.00 22.03 H new ATOM 0 HB2 LEU A 20 8.907 1.413 -2.547 1.00 54.13 H new ATOM 0 HB3 LEU A 20 9.571 -0.144 -3.000 1.00 54.13 H new ATOM 0 HG LEU A 20 8.431 -0.806 -0.667 1.00 52.52 H new ATOM 0 HD11 LEU A 20 6.143 0.164 -0.552 1.00 3.23 H new ATOM 0 HD12 LEU A 20 7.412 1.369 -0.232 1.00 3.23 H new ATOM 0 HD13 LEU A 20 6.598 1.334 -1.814 1.00 3.23 H new ATOM 0 HD21 LEU A 20 6.496 -1.673 -2.022 1.00 11.53 H new ATOM 0 HD22 LEU A 20 7.004 -0.625 -3.367 1.00 11.53 H new ATOM 0 HD23 LEU A 20 8.059 -1.952 -2.826 1.00 11.53 H new ATOM 328 N ILE A 21 9.735 1.265 1.083 1.00 51.54 N ATOM 329 CA ILE A 21 9.450 2.147 2.211 1.00 21.44 C ATOM 330 C ILE A 21 10.713 2.930 2.562 1.00 35.53 C ATOM 331 O ILE A 21 10.651 4.148 2.722 1.00 61.40 O ATOM 332 CB ILE A 21 8.919 1.330 3.429 1.00 4.31 C ATOM 333 CG1 ILE A 21 7.391 1.119 3.364 1.00 21.32 C ATOM 334 CG2 ILE A 21 9.263 1.955 4.797 1.00 21.51 C ATOM 335 CD1 ILE A 21 6.880 -0.025 4.254 1.00 51.30 C ATOM 0 H ILE A 21 9.587 0.277 1.288 1.00 51.54 H new ATOM 0 HA ILE A 21 8.667 2.854 1.937 1.00 21.44 H new ATOM 0 HB ILE A 21 9.434 0.373 3.352 1.00 4.31 H new ATOM 0 HG12 ILE A 21 6.894 2.044 3.657 1.00 21.32 H new ATOM 0 HG13 ILE A 21 7.106 0.918 2.331 1.00 21.32 H new ATOM 0 HG21 ILE A 21 8.860 1.330 5.594 1.00 21.51 H new ATOM 0 HG22 ILE A 21 10.346 2.026 4.903 1.00 21.51 H new ATOM 0 HG23 ILE A 21 8.826 2.952 4.862 1.00 21.51 H new ATOM 0 HD11 ILE A 21 5.798 -0.109 4.153 1.00 51.30 H new ATOM 0 HD12 ILE A 21 7.347 -0.961 3.948 1.00 51.30 H new ATOM 0 HD13 ILE A 21 7.132 0.183 5.294 1.00 51.30 H new ATOM 347 N GLU A 22 11.843 2.248 2.734 1.00 21.25 N ATOM 348 CA GLU A 22 13.089 2.909 3.086 1.00 53.12 C ATOM 349 C GLU A 22 13.764 3.546 1.866 1.00 72.31 C ATOM 350 O GLU A 22 14.527 4.498 2.023 1.00 54.24 O ATOM 351 CB GLU A 22 13.978 1.914 3.840 1.00 2.44 C ATOM 352 CG GLU A 22 15.075 2.625 4.639 1.00 53.52 C ATOM 353 CD GLU A 22 15.748 1.691 5.640 1.00 42.20 C ATOM 354 OE1 GLU A 22 16.912 1.284 5.379 1.00 14.23 O ATOM 355 OE2 GLU A 22 15.129 1.397 6.694 1.00 65.15 O ATOM 0 H GLU A 22 11.917 1.236 2.634 1.00 21.25 H new ATOM 0 HA GLU A 22 12.890 3.749 3.752 1.00 53.12 H new ATOM 0 HB2 GLU A 22 13.365 1.318 4.515 1.00 2.44 H new ATOM 0 HB3 GLU A 22 14.434 1.224 3.130 1.00 2.44 H new ATOM 0 HG2 GLU A 22 15.824 3.022 3.953 1.00 53.52 H new ATOM 0 HG3 GLU A 22 14.645 3.475 5.169 1.00 53.52 H new ATOM 362 N ASN A 23 13.494 3.036 0.658 1.00 40.22 N ATOM 363 CA ASN A 23 14.062 3.522 -0.596 1.00 74.23 C ATOM 364 C ASN A 23 13.535 4.897 -0.970 1.00 42.25 C ATOM 365 O ASN A 23 14.343 5.706 -1.422 1.00 21.40 O ATOM 366 CB ASN A 23 13.838 2.546 -1.767 1.00 51.33 C ATOM 367 CG ASN A 23 15.140 1.956 -2.292 1.00 45.43 C ATOM 368 OD1 ASN A 23 15.465 2.038 -3.468 1.00 11.51 O ATOM 369 ND2 ASN A 23 15.897 1.275 -1.459 1.00 70.12 N ATOM 0 H ASN A 23 12.855 2.251 0.527 1.00 40.22 H new ATOM 0 HA ASN A 23 15.135 3.597 -0.417 1.00 74.23 H new ATOM 0 HB2 ASN A 23 13.182 1.738 -1.442 1.00 51.33 H new ATOM 0 HB3 ASN A 23 13.326 3.066 -2.577 1.00 51.33 H new ATOM 0 HD21 ASN A 23 16.746 0.821 -1.796 1.00 70.12 H new ATOM 0 HD22 ASN A 23 15.635 1.201 -0.476 1.00 70.12 H new ATOM 376 N PHE A 24 12.243 5.182 -0.762 1.00 50.10 N ATOM 377 CA PHE A 24 11.645 6.474 -1.102 1.00 41.32 C ATOM 378 C PHE A 24 11.272 7.255 0.175 1.00 10.13 C ATOM 379 O PHE A 24 10.099 7.323 0.549 1.00 52.22 O ATOM 380 CB PHE A 24 10.507 6.294 -2.131 1.00 30.11 C ATOM 381 CG PHE A 24 10.667 7.213 -3.329 1.00 55.34 C ATOM 382 CD1 PHE A 24 10.702 8.609 -3.150 1.00 62.21 C ATOM 383 CD2 PHE A 24 10.846 6.680 -4.619 1.00 41.45 C ATOM 384 CE1 PHE A 24 10.958 9.458 -4.241 1.00 3.13 C ATOM 385 CE2 PHE A 24 11.042 7.536 -5.717 1.00 53.22 C ATOM 386 CZ PHE A 24 11.124 8.925 -5.527 1.00 64.20 C ATOM 0 H PHE A 24 11.584 4.520 -0.352 1.00 50.10 H new ATOM 0 HA PHE A 24 12.376 7.106 -1.607 1.00 41.32 H new ATOM 0 HB2 PHE A 24 10.486 5.258 -2.470 1.00 30.11 H new ATOM 0 HB3 PHE A 24 9.549 6.491 -1.649 1.00 30.11 H new ATOM 0 HD1 PHE A 24 10.531 9.030 -2.170 1.00 62.21 H new ATOM 0 HD2 PHE A 24 10.833 5.610 -4.766 1.00 41.45 H new ATOM 0 HE1 PHE A 24 11.027 10.525 -4.088 1.00 3.13 H new ATOM 0 HE2 PHE A 24 11.130 7.123 -6.711 1.00 53.22 H new ATOM 0 HZ PHE A 24 11.314 9.578 -6.366 1.00 64.20 H new ATOM 396 N PRO A 25 12.244 7.910 0.841 1.00 54.00 N ATOM 397 CA PRO A 25 12.053 8.672 2.078 1.00 14.14 C ATOM 398 C PRO A 25 11.203 9.956 1.990 1.00 54.31 C ATOM 399 O PRO A 25 11.399 10.851 2.814 1.00 74.15 O ATOM 400 CB PRO A 25 13.478 8.934 2.591 1.00 53.15 C ATOM 401 CG PRO A 25 14.313 8.996 1.325 1.00 50.31 C ATOM 402 CD PRO A 25 13.661 7.903 0.498 1.00 3.03 C ATOM 0 HA PRO A 25 11.440 8.088 2.765 1.00 14.14 H new ATOM 0 HB2 PRO A 25 13.535 9.866 3.154 1.00 53.15 H new ATOM 0 HB3 PRO A 25 13.817 8.139 3.255 1.00 53.15 H new ATOM 0 HG2 PRO A 25 14.256 9.970 0.840 1.00 50.31 H new ATOM 0 HG3 PRO A 25 15.367 8.796 1.516 1.00 50.31 H new ATOM 0 HD2 PRO A 25 13.803 8.086 -0.567 1.00 3.03 H new ATOM 0 HD3 PRO A 25 14.108 6.933 0.717 1.00 3.03 H new ATOM 410 N ASN A 26 10.327 10.136 0.992 1.00 53.11 N ATOM 411 CA ASN A 26 9.497 11.351 0.918 1.00 24.14 C ATOM 412 C ASN A 26 8.161 11.144 1.624 1.00 32.12 C ATOM 413 O ASN A 26 7.537 12.113 2.063 1.00 31.44 O ATOM 414 CB ASN A 26 9.192 11.688 -0.544 1.00 43.21 C ATOM 415 CG ASN A 26 10.168 12.707 -1.093 1.00 53.33 C ATOM 416 OD1 ASN A 26 9.794 13.837 -1.392 1.00 73.51 O ATOM 417 ND2 ASN A 26 11.433 12.349 -1.211 1.00 73.22 N ATOM 0 H ASN A 26 10.174 9.469 0.235 1.00 53.11 H new ATOM 0 HA ASN A 26 10.053 12.156 1.398 1.00 24.14 H new ATOM 0 HB2 ASN A 26 9.236 10.780 -1.145 1.00 43.21 H new ATOM 0 HB3 ASN A 26 8.176 12.075 -0.625 1.00 43.21 H new ATOM 0 HD21 ASN A 26 12.122 13.017 -1.557 1.00 73.22 H new ATOM 0 HD22 ASN A 26 11.722 11.404 -0.957 1.00 73.22 H new ATOM 424 N ALA A 27 7.739 9.888 1.778 1.00 65.14 N ATOM 425 CA ALA A 27 6.515 9.476 2.448 1.00 75.04 C ATOM 426 C ALA A 27 6.426 7.956 2.396 1.00 13.30 C ATOM 427 O ALA A 27 6.288 7.404 1.304 1.00 72.21 O ATOM 428 CB ALA A 27 5.297 10.027 1.670 1.00 34.21 C ATOM 0 H ALA A 27 8.271 9.095 1.419 1.00 65.14 H new ATOM 0 HA ALA A 27 6.520 9.844 3.474 1.00 75.04 H new ATOM 0 HB1 ALA A 27 4.378 9.720 2.169 1.00 34.21 H new ATOM 0 HB2 ALA A 27 5.347 11.115 1.639 1.00 34.21 H new ATOM 0 HB3 ALA A 27 5.307 9.634 0.653 1.00 34.21 H new ATOM 434 N PHE A 28 6.394 7.292 3.552 1.00 33.52 N ATOM 435 CA PHE A 28 6.261 5.845 3.729 1.00 22.40 C ATOM 436 C PHE A 28 6.204 5.513 5.220 1.00 1.12 C ATOM 437 O PHE A 28 6.764 6.246 6.042 1.00 62.21 O ATOM 438 CB PHE A 28 7.290 5.008 2.936 1.00 13.45 C ATOM 439 CG PHE A 28 6.719 4.397 1.656 1.00 12.05 C ATOM 440 CD1 PHE A 28 5.647 3.479 1.714 1.00 72.52 C ATOM 441 CD2 PHE A 28 7.198 4.803 0.395 1.00 31.03 C ATOM 442 CE1 PHE A 28 5.004 3.052 0.539 1.00 74.33 C ATOM 443 CE2 PHE A 28 6.549 4.385 -0.780 1.00 64.53 C ATOM 444 CZ PHE A 28 5.432 3.536 -0.708 1.00 74.41 C ATOM 0 H PHE A 28 6.465 7.780 4.445 1.00 33.52 H new ATOM 0 HA PHE A 28 5.315 5.543 3.280 1.00 22.40 H new ATOM 0 HB2 PHE A 28 8.141 5.639 2.680 1.00 13.45 H new ATOM 0 HB3 PHE A 28 7.667 4.209 3.575 1.00 13.45 H new ATOM 0 HD1 PHE A 28 5.318 3.101 2.671 1.00 72.52 H new ATOM 0 HD2 PHE A 28 8.069 5.439 0.330 1.00 31.03 H new ATOM 0 HE1 PHE A 28 4.183 2.353 0.595 1.00 74.33 H new ATOM 0 HE2 PHE A 28 6.911 4.718 -1.742 1.00 64.53 H new ATOM 0 HZ PHE A 28 4.905 3.257 -1.608 1.00 74.41 H new ATOM 454 N PHE A 29 5.565 4.401 5.589 1.00 62.24 N ATOM 455 CA PHE A 29 5.420 3.956 6.972 1.00 74.52 C ATOM 456 C PHE A 29 5.613 2.446 7.059 1.00 3.33 C ATOM 457 O PHE A 29 4.995 1.716 6.283 1.00 43.31 O ATOM 458 CB PHE A 29 4.028 4.312 7.500 1.00 70.11 C ATOM 459 CG PHE A 29 3.792 5.791 7.726 1.00 40.44 C ATOM 460 CD1 PHE A 29 3.223 6.581 6.711 1.00 11.21 C ATOM 461 CD2 PHE A 29 4.142 6.384 8.952 1.00 3.43 C ATOM 462 CE1 PHE A 29 2.984 7.949 6.925 1.00 24.33 C ATOM 463 CE2 PHE A 29 3.862 7.741 9.184 1.00 12.55 C ATOM 464 CZ PHE A 29 3.275 8.523 8.176 1.00 40.25 C ATOM 0 H PHE A 29 5.125 3.772 4.917 1.00 62.24 H new ATOM 0 HA PHE A 29 6.177 4.457 7.576 1.00 74.52 H new ATOM 0 HB2 PHE A 29 3.283 3.943 6.795 1.00 70.11 H new ATOM 0 HB3 PHE A 29 3.866 3.785 8.440 1.00 70.11 H new ATOM 0 HD1 PHE A 29 2.968 6.134 5.762 1.00 11.21 H new ATOM 0 HD2 PHE A 29 4.627 5.795 9.717 1.00 3.43 H new ATOM 0 HE1 PHE A 29 2.578 8.558 6.131 1.00 24.33 H new ATOM 0 HE2 PHE A 29 4.099 8.184 10.140 1.00 12.55 H new ATOM 0 HZ PHE A 29 3.048 9.562 8.361 1.00 40.25 H new ATOM 474 N LYS A 30 6.429 1.987 8.018 1.00 43.31 N ATOM 475 CA LYS A 30 6.707 0.562 8.231 1.00 33.10 C ATOM 476 C LYS A 30 5.494 -0.163 8.811 1.00 4.01 C ATOM 477 O LYS A 30 4.981 -1.107 8.219 1.00 64.53 O ATOM 478 CB LYS A 30 7.950 0.316 9.116 1.00 34.05 C ATOM 479 CG LYS A 30 9.324 0.445 8.427 1.00 14.10 C ATOM 480 CD LYS A 30 9.796 1.895 8.304 1.00 44.30 C ATOM 481 CE LYS A 30 11.102 2.047 7.481 1.00 14.34 C ATOM 482 NZ LYS A 30 12.374 1.990 8.243 1.00 53.01 N ATOM 0 H LYS A 30 6.917 2.599 8.672 1.00 43.31 H new ATOM 0 HA LYS A 30 6.926 0.150 7.246 1.00 33.10 H new ATOM 0 HB2 LYS A 30 7.919 1.018 9.949 1.00 34.05 H new ATOM 0 HB3 LYS A 30 7.874 -0.685 9.540 1.00 34.05 H new ATOM 0 HG2 LYS A 30 10.062 -0.125 8.991 1.00 14.10 H new ATOM 0 HG3 LYS A 30 9.269 0.001 7.433 1.00 14.10 H new ATOM 0 HD2 LYS A 30 9.009 2.488 7.837 1.00 44.30 H new ATOM 0 HD3 LYS A 30 9.954 2.304 9.302 1.00 44.30 H new ATOM 0 HE2 LYS A 30 11.122 1.263 6.724 1.00 14.34 H new ATOM 0 HE3 LYS A 30 11.063 2.999 6.952 1.00 14.34 H new ATOM 0 HZ1 LYS A 30 13.156 1.763 7.596 1.00 53.01 H new ATOM 0 HZ2 LYS A 30 12.552 2.911 8.691 1.00 53.01 H new ATOM 0 HZ3 LYS A 30 12.307 1.256 8.976 1.00 53.01 H new ATOM 496 N LYS A 31 5.042 0.242 9.999 1.00 61.45 N ATOM 497 CA LYS A 31 3.899 -0.411 10.660 1.00 54.54 C ATOM 498 C LYS A 31 2.565 -0.103 9.972 1.00 62.21 C ATOM 499 O LYS A 31 2.201 1.068 9.875 1.00 20.51 O ATOM 500 CB LYS A 31 3.804 -0.022 12.147 1.00 51.01 C ATOM 501 CG LYS A 31 4.801 -0.709 13.088 1.00 14.51 C ATOM 502 CD LYS A 31 6.257 -0.284 12.865 1.00 0.22 C ATOM 503 CE LYS A 31 7.126 -0.549 14.097 1.00 63.42 C ATOM 504 NZ LYS A 31 7.090 -1.941 14.573 1.00 23.54 N ATOM 0 H LYS A 31 5.445 1.017 10.526 1.00 61.45 H new ATOM 0 HA LYS A 31 4.086 -1.482 10.579 1.00 54.54 H new ATOM 0 HB2 LYS A 31 3.941 1.056 12.229 1.00 51.01 H new ATOM 0 HB3 LYS A 31 2.795 -0.242 12.496 1.00 51.01 H new ATOM 0 HG2 LYS A 31 4.523 -0.491 14.119 1.00 14.51 H new ATOM 0 HG3 LYS A 31 4.724 -1.789 12.959 1.00 14.51 H new ATOM 0 HD2 LYS A 31 6.665 -0.823 12.010 1.00 0.22 H new ATOM 0 HD3 LYS A 31 6.291 0.777 12.618 1.00 0.22 H new ATOM 0 HE2 LYS A 31 8.157 -0.283 13.864 1.00 63.42 H new ATOM 0 HE3 LYS A 31 6.802 0.108 14.904 1.00 63.42 H new ATOM 0 HZ1 LYS A 31 7.754 -2.054 15.365 1.00 23.54 H new ATOM 0 HZ2 LYS A 31 6.128 -2.174 14.891 1.00 23.54 H new ATOM 0 HZ3 LYS A 31 7.363 -2.580 13.799 1.00 23.54 H new ATOM 518 N GLY A 32 1.773 -1.131 9.650 1.00 55.22 N ATOM 519 CA GLY A 32 0.455 -1.061 9.007 1.00 14.00 C ATOM 520 C GLY A 32 -0.577 -0.237 9.767 1.00 13.43 C ATOM 521 O GLY A 32 -1.599 0.089 9.180 1.00 43.41 O ATOM 0 H GLY A 32 2.051 -2.093 9.843 1.00 55.22 H new ATOM 0 HA2 GLY A 32 0.574 -0.640 8.009 1.00 14.00 H new ATOM 0 HA3 GLY A 32 0.072 -2.074 8.882 1.00 14.00 H new ATOM 525 N ASN A 33 -0.356 0.085 11.045 1.00 34.42 N ATOM 526 CA ASN A 33 -1.293 0.864 11.861 1.00 4.44 C ATOM 527 C ASN A 33 -1.121 2.386 11.777 1.00 50.24 C ATOM 528 O ASN A 33 -1.986 3.103 12.271 1.00 51.23 O ATOM 529 CB ASN A 33 -1.174 0.446 13.336 1.00 30.45 C ATOM 530 CG ASN A 33 -0.176 1.258 14.158 1.00 30.02 C ATOM 531 OD1 ASN A 33 -0.497 1.698 15.252 1.00 52.44 O ATOM 532 ND2 ASN A 33 1.047 1.454 13.691 1.00 22.20 N ATOM 0 H ASN A 33 0.488 -0.191 11.548 1.00 34.42 H new ATOM 0 HA ASN A 33 -2.276 0.639 11.448 1.00 4.44 H new ATOM 0 HB2 ASN A 33 -2.156 0.527 13.801 1.00 30.45 H new ATOM 0 HB3 ASN A 33 -0.887 -0.605 13.378 1.00 30.45 H new ATOM 0 HD21 ASN A 33 1.727 1.975 14.245 1.00 22.20 H new ATOM 0 HD22 ASN A 33 1.309 1.084 12.777 1.00 22.20 H new ATOM 539 N GLN A 34 0.001 2.875 11.234 1.00 4.15 N ATOM 540 CA GLN A 34 0.305 4.307 11.123 1.00 41.12 C ATOM 541 C GLN A 34 0.375 4.777 9.669 1.00 71.54 C ATOM 542 O GLN A 34 0.853 5.875 9.399 1.00 1.32 O ATOM 543 CB GLN A 34 1.570 4.656 11.939 1.00 31.31 C ATOM 544 CG GLN A 34 2.809 3.845 11.531 1.00 24.03 C ATOM 545 CD GLN A 34 4.115 4.300 12.189 1.00 14.14 C ATOM 546 OE1 GLN A 34 4.141 4.902 13.260 1.00 50.44 O ATOM 547 NE2 GLN A 34 5.249 3.999 11.577 1.00 1.30 N ATOM 0 H GLN A 34 0.735 2.277 10.853 1.00 4.15 H new ATOM 0 HA GLN A 34 -0.523 4.864 11.560 1.00 41.12 H new ATOM 0 HB2 GLN A 34 1.786 5.718 11.821 1.00 31.31 H new ATOM 0 HB3 GLN A 34 1.368 4.487 12.997 1.00 31.31 H new ATOM 0 HG2 GLN A 34 2.639 2.797 11.779 1.00 24.03 H new ATOM 0 HG3 GLN A 34 2.924 3.902 10.449 1.00 24.03 H new ATOM 0 HE21 GLN A 34 5.232 3.499 10.688 1.00 1.30 H new ATOM 0 HE22 GLN A 34 6.140 4.267 11.994 1.00 1.30 H new ATOM 556 N VAL A 35 -0.016 3.916 8.727 1.00 13.52 N ATOM 557 CA VAL A 35 -0.011 4.261 7.308 1.00 21.04 C ATOM 558 C VAL A 35 -0.959 5.449 7.056 1.00 72.55 C ATOM 559 O VAL A 35 -1.874 5.711 7.842 1.00 45.21 O ATOM 560 CB VAL A 35 -0.397 3.029 6.455 1.00 54.52 C ATOM 561 CG1 VAL A 35 0.635 1.905 6.631 1.00 12.31 C ATOM 562 CG2 VAL A 35 -1.804 2.480 6.764 1.00 11.22 C ATOM 0 H VAL A 35 -0.341 2.970 8.925 1.00 13.52 H new ATOM 0 HA VAL A 35 0.993 4.563 7.011 1.00 21.04 H new ATOM 0 HB VAL A 35 -0.407 3.377 5.422 1.00 54.52 H new ATOM 0 HG11 VAL A 35 0.346 1.047 6.023 1.00 12.31 H new ATOM 0 HG12 VAL A 35 1.616 2.259 6.315 1.00 12.31 H new ATOM 0 HG13 VAL A 35 0.676 1.610 7.679 1.00 12.31 H new ATOM 0 HG21 VAL A 35 -2.006 1.618 6.129 1.00 11.22 H new ATOM 0 HG22 VAL A 35 -1.856 2.180 7.811 1.00 11.22 H new ATOM 0 HG23 VAL A 35 -2.547 3.254 6.572 1.00 11.22 H new ATOM 572 N LYS A 36 -0.744 6.170 5.958 1.00 40.24 N ATOM 573 CA LYS A 36 -1.520 7.321 5.489 1.00 14.45 C ATOM 574 C LYS A 36 -1.767 7.061 3.997 1.00 12.30 C ATOM 575 O LYS A 36 -0.999 6.292 3.412 1.00 15.44 O ATOM 576 CB LYS A 36 -0.746 8.632 5.745 1.00 64.12 C ATOM 577 CG LYS A 36 -0.842 9.089 7.212 1.00 74.21 C ATOM 578 CD LYS A 36 0.017 10.319 7.562 1.00 73.44 C ATOM 579 CE LYS A 36 -0.242 11.546 6.678 1.00 2.25 C ATOM 580 NZ LYS A 36 0.441 12.760 7.181 1.00 3.41 N ATOM 0 H LYS A 36 0.028 5.953 5.328 1.00 40.24 H new ATOM 0 HA LYS A 36 -2.466 7.436 6.018 1.00 14.45 H new ATOM 0 HB2 LYS A 36 0.301 8.491 5.478 1.00 64.12 H new ATOM 0 HB3 LYS A 36 -1.138 9.415 5.096 1.00 64.12 H new ATOM 0 HG2 LYS A 36 -1.884 9.314 7.441 1.00 74.21 H new ATOM 0 HG3 LYS A 36 -0.546 8.261 7.856 1.00 74.21 H new ATOM 0 HD2 LYS A 36 -0.166 10.590 8.602 1.00 73.44 H new ATOM 0 HD3 LYS A 36 1.069 10.046 7.484 1.00 73.44 H new ATOM 0 HE2 LYS A 36 0.096 11.337 5.663 1.00 2.25 H new ATOM 0 HE3 LYS A 36 -1.315 11.732 6.625 1.00 2.25 H new ATOM 0 HZ1 LYS A 36 0.235 13.561 6.550 1.00 3.41 H new ATOM 0 HZ2 LYS A 36 0.101 12.978 8.139 1.00 3.41 H new ATOM 0 HZ3 LYS A 36 1.468 12.595 7.207 1.00 3.41 H new ATOM 594 N PRO A 37 -2.781 7.657 3.348 1.00 71.50 N ATOM 595 CA PRO A 37 -3.033 7.411 1.936 1.00 53.24 C ATOM 596 C PRO A 37 -1.969 8.036 1.031 1.00 72.23 C ATOM 597 O PRO A 37 -1.333 9.040 1.375 1.00 23.42 O ATOM 598 CB PRO A 37 -4.439 7.954 1.669 1.00 10.54 C ATOM 599 CG PRO A 37 -4.620 9.044 2.725 1.00 32.34 C ATOM 600 CD PRO A 37 -3.767 8.569 3.902 1.00 10.24 C ATOM 0 HA PRO A 37 -2.976 6.348 1.703 1.00 53.24 H new ATOM 0 HB2 PRO A 37 -4.526 8.357 0.660 1.00 10.54 H new ATOM 0 HB3 PRO A 37 -5.194 7.174 1.767 1.00 10.54 H new ATOM 0 HG2 PRO A 37 -4.287 10.014 2.357 1.00 32.34 H new ATOM 0 HG3 PRO A 37 -5.666 9.153 3.010 1.00 32.34 H new ATOM 0 HD2 PRO A 37 -3.283 9.411 4.397 1.00 10.24 H new ATOM 0 HD3 PRO A 37 -4.381 8.069 4.651 1.00 10.24 H new ATOM 608 N LEU A 38 -1.827 7.463 -0.163 1.00 61.14 N ATOM 609 CA LEU A 38 -0.899 7.840 -1.216 1.00 54.12 C ATOM 610 C LEU A 38 -1.633 8.202 -2.507 1.00 21.43 C ATOM 611 O LEU A 38 -2.829 7.946 -2.656 1.00 54.42 O ATOM 612 CB LEU A 38 0.019 6.654 -1.534 1.00 32.34 C ATOM 613 CG LEU A 38 1.185 6.376 -0.581 1.00 53.44 C ATOM 614 CD1 LEU A 38 1.977 7.662 -0.295 1.00 14.12 C ATOM 615 CD2 LEU A 38 0.767 5.635 0.687 1.00 42.02 C ATOM 0 H LEU A 38 -2.402 6.665 -0.435 1.00 61.14 H new ATOM 0 HA LEU A 38 -0.335 8.703 -0.861 1.00 54.12 H new ATOM 0 HB2 LEU A 38 -0.598 5.756 -1.579 1.00 32.34 H new ATOM 0 HB3 LEU A 38 0.431 6.808 -2.531 1.00 32.34 H new ATOM 0 HG LEU A 38 1.858 5.686 -1.091 1.00 53.44 H new ATOM 0 HD11 LEU A 38 2.800 7.439 0.384 1.00 14.12 H new ATOM 0 HD12 LEU A 38 2.375 8.060 -1.229 1.00 14.12 H new ATOM 0 HD13 LEU A 38 1.319 8.400 0.163 1.00 14.12 H new ATOM 0 HD21 LEU A 38 1.641 5.471 1.317 1.00 42.02 H new ATOM 0 HD22 LEU A 38 0.034 6.230 1.231 1.00 42.02 H new ATOM 0 HD23 LEU A 38 0.327 4.674 0.419 1.00 42.02 H new ATOM 627 N LYS A 39 -0.896 8.815 -3.436 1.00 31.22 N ATOM 628 CA LYS A 39 -1.345 9.240 -4.756 1.00 2.44 C ATOM 629 C LYS A 39 -1.992 8.077 -5.511 1.00 71.10 C ATOM 630 O LYS A 39 -1.603 6.919 -5.349 1.00 3.42 O ATOM 631 CB LYS A 39 -0.122 9.829 -5.487 1.00 23.04 C ATOM 632 CG LYS A 39 -0.312 10.240 -6.959 1.00 0.15 C ATOM 633 CD LYS A 39 0.313 9.221 -7.922 1.00 4.43 C ATOM 634 CE LYS A 39 0.195 9.706 -9.373 1.00 2.40 C ATOM 635 NZ LYS A 39 1.482 10.221 -9.882 1.00 23.43 N ATOM 0 H LYS A 39 0.086 9.039 -3.274 1.00 31.22 H new ATOM 0 HA LYS A 39 -2.119 10.004 -4.685 1.00 2.44 H new ATOM 0 HB2 LYS A 39 0.213 10.705 -4.932 1.00 23.04 H new ATOM 0 HB3 LYS A 39 0.684 9.096 -5.442 1.00 23.04 H new ATOM 0 HG2 LYS A 39 -1.376 10.338 -7.174 1.00 0.15 H new ATOM 0 HG3 LYS A 39 0.138 11.219 -7.124 1.00 0.15 H new ATOM 0 HD2 LYS A 39 1.362 9.069 -7.668 1.00 4.43 H new ATOM 0 HD3 LYS A 39 -0.185 8.257 -7.813 1.00 4.43 H new ATOM 0 HE2 LYS A 39 -0.144 8.885 -10.005 1.00 2.40 H new ATOM 0 HE3 LYS A 39 -0.561 10.489 -9.435 1.00 2.40 H new ATOM 0 HZ1 LYS A 39 1.320 11.108 -10.401 1.00 23.43 H new ATOM 0 HZ2 LYS A 39 2.125 10.399 -9.084 1.00 23.43 H new ATOM 0 HZ3 LYS A 39 1.909 9.519 -10.520 1.00 23.43 H new ATOM 649 N ILE A 40 -3.003 8.388 -6.321 1.00 70.31 N ATOM 650 CA ILE A 40 -3.716 7.398 -7.109 1.00 12.12 C ATOM 651 C ILE A 40 -2.737 6.752 -8.098 1.00 33.41 C ATOM 652 O ILE A 40 -2.143 7.415 -8.941 1.00 32.42 O ATOM 653 CB ILE A 40 -4.978 8.019 -7.745 1.00 62.04 C ATOM 654 CG1 ILE A 40 -5.853 6.990 -8.490 1.00 51.13 C ATOM 655 CG2 ILE A 40 -4.639 9.144 -8.726 1.00 63.25 C ATOM 656 CD1 ILE A 40 -6.384 5.865 -7.600 1.00 32.50 C ATOM 0 H ILE A 40 -3.348 9.340 -6.446 1.00 70.31 H new ATOM 0 HA ILE A 40 -4.095 6.591 -6.483 1.00 12.12 H new ATOM 0 HB ILE A 40 -5.539 8.416 -6.899 1.00 62.04 H new ATOM 0 HG12 ILE A 40 -6.697 7.508 -8.946 1.00 51.13 H new ATOM 0 HG13 ILE A 40 -5.271 6.553 -9.302 1.00 51.13 H new ATOM 0 HG21 ILE A 40 -5.559 9.549 -9.147 1.00 63.25 H new ATOM 0 HG22 ILE A 40 -4.101 9.934 -8.202 1.00 63.25 H new ATOM 0 HG23 ILE A 40 -4.015 8.751 -9.529 1.00 63.25 H new ATOM 0 HD11 ILE A 40 -6.990 5.183 -8.197 1.00 32.50 H new ATOM 0 HD12 ILE A 40 -5.547 5.320 -7.164 1.00 32.50 H new ATOM 0 HD13 ILE A 40 -6.995 6.289 -6.803 1.00 32.50 H new ATOM 668 N GLY A 41 -2.551 5.448 -7.958 1.00 32.32 N ATOM 669 CA GLY A 41 -1.665 4.646 -8.789 1.00 54.42 C ATOM 670 C GLY A 41 -0.171 4.873 -8.522 1.00 71.44 C ATOM 671 O GLY A 41 0.639 4.556 -9.388 1.00 5.20 O ATOM 0 H GLY A 41 -3.027 4.902 -7.240 1.00 32.32 H new ATOM 0 HA2 GLY A 41 -1.894 3.592 -8.632 1.00 54.42 H new ATOM 0 HA3 GLY A 41 -1.872 4.864 -9.837 1.00 54.42 H new ATOM 675 N ILE A 42 0.208 5.341 -7.328 1.00 11.15 N ATOM 676 CA ILE A 42 1.580 5.634 -6.899 1.00 65.51 C ATOM 677 C ILE A 42 2.556 4.462 -7.157 1.00 74.40 C ATOM 678 O ILE A 42 3.758 4.700 -7.270 1.00 60.21 O ATOM 679 CB ILE A 42 1.581 6.029 -5.405 1.00 61.44 C ATOM 680 CG1 ILE A 42 2.961 6.608 -5.026 1.00 14.44 C ATOM 681 CG2 ILE A 42 1.103 4.868 -4.502 1.00 40.03 C ATOM 682 CD1 ILE A 42 3.000 7.282 -3.658 1.00 72.01 C ATOM 0 H ILE A 42 -0.473 5.536 -6.594 1.00 11.15 H new ATOM 0 HA ILE A 42 1.941 6.467 -7.502 1.00 65.51 H new ATOM 0 HB ILE A 42 0.850 6.819 -5.233 1.00 61.44 H new ATOM 0 HG12 ILE A 42 3.697 5.805 -5.044 1.00 14.44 H new ATOM 0 HG13 ILE A 42 3.260 7.332 -5.784 1.00 14.44 H new ATOM 0 HG21 ILE A 42 1.119 5.187 -3.460 1.00 40.03 H new ATOM 0 HG22 ILE A 42 0.088 4.585 -4.780 1.00 40.03 H new ATOM 0 HG23 ILE A 42 1.765 4.012 -4.629 1.00 40.03 H new ATOM 0 HD11 ILE A 42 4.004 7.662 -3.468 1.00 72.01 H new ATOM 0 HD12 ILE A 42 2.290 8.109 -3.639 1.00 72.01 H new ATOM 0 HD13 ILE A 42 2.734 6.558 -2.888 1.00 72.01 H new ATOM 694 N PHE A 43 2.111 3.187 -7.196 1.00 71.11 N ATOM 695 CA PHE A 43 3.051 2.086 -7.460 1.00 20.14 C ATOM 696 C PHE A 43 3.698 2.311 -8.823 1.00 71.11 C ATOM 697 O PHE A 43 4.856 1.956 -8.980 1.00 14.31 O ATOM 698 CB PHE A 43 2.429 0.663 -7.390 1.00 62.42 C ATOM 699 CG PHE A 43 2.648 -0.201 -8.641 1.00 4.24 C ATOM 700 CD1 PHE A 43 1.741 -0.051 -9.709 1.00 62.42 C ATOM 701 CD2 PHE A 43 3.799 -1.014 -8.825 1.00 2.32 C ATOM 702 CE1 PHE A 43 1.997 -0.632 -10.962 1.00 73.01 C ATOM 703 CE2 PHE A 43 4.038 -1.601 -10.082 1.00 30.40 C ATOM 704 CZ PHE A 43 3.161 -1.388 -11.157 1.00 3.11 C ATOM 0 H PHE A 43 1.141 2.905 -7.053 1.00 71.11 H new ATOM 0 HA PHE A 43 3.788 2.110 -6.658 1.00 20.14 H new ATOM 0 HB2 PHE A 43 2.847 0.142 -6.529 1.00 62.42 H new ATOM 0 HB3 PHE A 43 1.357 0.759 -7.216 1.00 62.42 H new ATOM 0 HD1 PHE A 43 0.836 0.519 -9.562 1.00 62.42 H new ATOM 0 HD2 PHE A 43 4.485 -1.180 -8.007 1.00 2.32 H new ATOM 0 HE1 PHE A 43 1.298 -0.496 -11.774 1.00 73.01 H new ATOM 0 HE2 PHE A 43 4.909 -2.224 -10.221 1.00 30.40 H new ATOM 0 HZ PHE A 43 3.382 -1.804 -12.129 1.00 3.11 H new ATOM 714 N ASP A 44 2.958 2.869 -9.785 1.00 12.50 N ATOM 715 CA ASP A 44 3.444 3.109 -11.142 1.00 23.14 C ATOM 716 C ASP A 44 4.524 4.180 -11.183 1.00 34.04 C ATOM 717 O ASP A 44 5.305 4.222 -12.123 1.00 73.33 O ATOM 718 CB ASP A 44 2.285 3.446 -12.081 1.00 31.11 C ATOM 719 CG ASP A 44 2.648 3.207 -13.545 1.00 11.22 C ATOM 720 OD1 ASP A 44 3.159 2.116 -13.876 1.00 22.15 O ATOM 721 OD2 ASP A 44 2.316 4.050 -14.409 1.00 50.11 O ATOM 0 H ASP A 44 1.994 3.169 -9.639 1.00 12.50 H new ATOM 0 HA ASP A 44 3.906 2.186 -11.491 1.00 23.14 H new ATOM 0 HB2 ASP A 44 1.418 2.840 -11.819 1.00 31.11 H new ATOM 0 HB3 ASP A 44 1.998 4.489 -11.944 1.00 31.11 H new ATOM 726 N ASP A 45 4.502 5.123 -10.244 1.00 51.12 N ATOM 727 CA ASP A 45 5.490 6.193 -10.127 1.00 71.31 C ATOM 728 C ASP A 45 6.758 5.633 -9.474 1.00 62.15 C ATOM 729 O ASP A 45 7.884 5.898 -9.884 1.00 61.42 O ATOM 730 CB ASP A 45 4.929 7.334 -9.269 1.00 31.20 C ATOM 731 CG ASP A 45 3.773 8.038 -9.950 1.00 21.42 C ATOM 732 OD1 ASP A 45 4.001 9.016 -10.693 1.00 61.23 O ATOM 733 OD2 ASP A 45 2.608 7.609 -9.811 1.00 14.03 O ATOM 0 H ASP A 45 3.779 5.165 -9.526 1.00 51.12 H new ATOM 0 HA ASP A 45 5.725 6.581 -11.118 1.00 71.31 H new ATOM 0 HB2 ASP A 45 4.598 6.937 -8.309 1.00 31.20 H new ATOM 0 HB3 ASP A 45 5.720 8.054 -9.060 1.00 31.20 H new ATOM 738 N LEU A 46 6.544 4.875 -8.402 1.00 71.01 N ATOM 739 CA LEU A 46 7.481 4.194 -7.519 1.00 13.44 C ATOM 740 C LEU A 46 8.227 3.096 -8.258 1.00 41.22 C ATOM 741 O LEU A 46 9.389 2.823 -7.954 1.00 55.23 O ATOM 742 CB LEU A 46 6.690 3.699 -6.294 1.00 43.23 C ATOM 743 CG LEU A 46 7.459 3.019 -5.143 1.00 32.40 C ATOM 744 CD1 LEU A 46 7.534 1.512 -5.390 1.00 3.35 C ATOM 745 CD2 LEU A 46 8.816 3.645 -4.809 1.00 52.25 C ATOM 0 H LEU A 46 5.586 4.704 -8.095 1.00 71.01 H new ATOM 0 HA LEU A 46 8.262 4.870 -7.171 1.00 13.44 H new ATOM 0 HB2 LEU A 46 6.158 4.554 -5.877 1.00 43.23 H new ATOM 0 HB3 LEU A 46 5.936 2.996 -6.649 1.00 43.23 H new ATOM 0 HG LEU A 46 6.884 3.198 -4.235 1.00 32.40 H new ATOM 0 HD11 LEU A 46 8.078 1.036 -4.574 1.00 3.35 H new ATOM 0 HD12 LEU A 46 6.526 1.101 -5.442 1.00 3.35 H new ATOM 0 HD13 LEU A 46 8.052 1.323 -6.330 1.00 3.35 H new ATOM 0 HD21 LEU A 46 9.277 3.097 -3.988 1.00 52.25 H new ATOM 0 HD22 LEU A 46 9.463 3.599 -5.685 1.00 52.25 H new ATOM 0 HD23 LEU A 46 8.675 4.685 -4.516 1.00 52.25 H new ATOM 757 N ILE A 47 7.598 2.475 -9.255 1.00 10.21 N ATOM 758 CA ILE A 47 8.184 1.406 -10.045 1.00 30.20 C ATOM 759 C ILE A 47 9.505 1.881 -10.661 1.00 33.45 C ATOM 760 O ILE A 47 10.426 1.084 -10.827 1.00 11.25 O ATOM 761 CB ILE A 47 7.167 0.991 -11.143 1.00 20.51 C ATOM 762 CG1 ILE A 47 7.168 -0.506 -11.456 1.00 12.24 C ATOM 763 CG2 ILE A 47 7.234 1.823 -12.428 1.00 73.41 C ATOM 764 CD1 ILE A 47 8.378 -1.052 -12.217 1.00 24.02 C ATOM 0 H ILE A 47 6.647 2.710 -9.538 1.00 10.21 H new ATOM 0 HA ILE A 47 8.402 0.542 -9.418 1.00 30.20 H new ATOM 0 HB ILE A 47 6.207 1.223 -10.681 1.00 20.51 H new ATOM 0 HG12 ILE A 47 7.085 -1.050 -10.515 1.00 12.24 H new ATOM 0 HG13 ILE A 47 6.273 -0.732 -12.035 1.00 12.24 H new ATOM 0 HG21 ILE A 47 6.488 1.461 -13.135 1.00 73.41 H new ATOM 0 HG22 ILE A 47 7.035 2.869 -12.195 1.00 73.41 H new ATOM 0 HG23 ILE A 47 8.227 1.732 -12.869 1.00 73.41 H new ATOM 0 HD11 ILE A 47 8.255 -2.123 -12.375 1.00 24.02 H new ATOM 0 HD12 ILE A 47 8.458 -0.550 -13.181 1.00 24.02 H new ATOM 0 HD13 ILE A 47 9.284 -0.872 -11.638 1.00 24.02 H new ATOM 776 N ASP A 48 9.616 3.180 -10.946 1.00 44.12 N ATOM 777 CA ASP A 48 10.817 3.756 -11.546 1.00 55.45 C ATOM 778 C ASP A 48 12.023 3.669 -10.607 1.00 41.12 C ATOM 779 O ASP A 48 13.169 3.730 -11.045 1.00 72.04 O ATOM 780 CB ASP A 48 10.576 5.203 -11.984 1.00 70.41 C ATOM 781 CG ASP A 48 10.137 5.296 -13.445 1.00 33.13 C ATOM 782 OD1 ASP A 48 11.008 5.370 -14.341 1.00 65.40 O ATOM 783 OD2 ASP A 48 8.917 5.335 -13.715 1.00 71.05 O ATOM 0 H ASP A 48 8.877 3.859 -10.767 1.00 44.12 H new ATOM 0 HA ASP A 48 11.047 3.163 -12.431 1.00 55.45 H new ATOM 0 HB2 ASP A 48 9.813 5.652 -11.348 1.00 70.41 H new ATOM 0 HB3 ASP A 48 11.489 5.781 -11.843 1.00 70.41 H new ATOM 788 N PHE A 49 11.800 3.635 -9.295 1.00 11.31 N ATOM 789 CA PHE A 49 12.869 3.555 -8.302 1.00 52.52 C ATOM 790 C PHE A 49 13.516 2.157 -8.257 1.00 72.33 C ATOM 791 O PHE A 49 14.727 2.046 -8.077 1.00 31.33 O ATOM 792 CB PHE A 49 12.363 4.060 -6.946 1.00 20.14 C ATOM 793 CG PHE A 49 13.415 4.861 -6.204 1.00 3.20 C ATOM 794 CD1 PHE A 49 14.066 4.323 -5.085 1.00 75.21 C ATOM 795 CD2 PHE A 49 13.756 6.154 -6.638 1.00 52.50 C ATOM 796 CE1 PHE A 49 15.073 5.048 -4.424 1.00 42.43 C ATOM 797 CE2 PHE A 49 14.756 6.883 -5.974 1.00 54.51 C ATOM 798 CZ PHE A 49 15.421 6.333 -4.868 1.00 71.24 C ATOM 0 H PHE A 49 10.865 3.662 -8.888 1.00 11.31 H new ATOM 0 HA PHE A 49 13.682 4.217 -8.599 1.00 52.52 H new ATOM 0 HB2 PHE A 49 11.478 4.678 -7.098 1.00 20.14 H new ATOM 0 HB3 PHE A 49 12.058 3.211 -6.335 1.00 20.14 H new ATOM 0 HD1 PHE A 49 13.791 3.342 -4.727 1.00 75.21 H new ATOM 0 HD2 PHE A 49 13.247 6.588 -7.486 1.00 52.50 H new ATOM 0 HE1 PHE A 49 15.579 4.616 -3.574 1.00 42.43 H new ATOM 0 HE2 PHE A 49 15.015 7.874 -6.317 1.00 54.51 H new ATOM 0 HZ PHE A 49 16.194 6.893 -4.363 1.00 71.24 H new ATOM 808 N TYR A 50 12.766 1.069 -8.459 1.00 75.22 N ATOM 809 CA TYR A 50 13.257 -0.316 -8.485 1.00 11.10 C ATOM 810 C TYR A 50 14.235 -0.479 -9.652 1.00 23.14 C ATOM 811 O TYR A 50 15.152 -1.291 -9.610 1.00 5.31 O ATOM 812 CB TYR A 50 12.071 -1.218 -8.856 1.00 44.34 C ATOM 813 CG TYR A 50 12.334 -2.595 -9.452 1.00 31.43 C ATOM 814 CD1 TYR A 50 12.661 -3.690 -8.634 1.00 44.14 C ATOM 815 CD2 TYR A 50 12.167 -2.797 -10.836 1.00 42.24 C ATOM 816 CE1 TYR A 50 12.741 -4.983 -9.170 1.00 60.52 C ATOM 817 CE2 TYR A 50 12.346 -4.074 -11.397 1.00 43.21 C ATOM 818 CZ TYR A 50 12.610 -5.180 -10.561 1.00 45.42 C ATOM 819 OH TYR A 50 12.732 -6.429 -11.083 1.00 4.03 O ATOM 0 H TYR A 50 11.760 1.130 -8.615 1.00 75.22 H new ATOM 0 HA TYR A 50 13.713 -0.558 -7.525 1.00 11.10 H new ATOM 0 HB2 TYR A 50 11.475 -1.361 -7.955 1.00 44.34 H new ATOM 0 HB3 TYR A 50 11.452 -0.668 -9.565 1.00 44.34 H new ATOM 0 HD1 TYR A 50 12.852 -3.534 -7.583 1.00 44.14 H new ATOM 0 HD2 TYR A 50 11.900 -1.965 -11.471 1.00 42.24 H new ATOM 0 HE1 TYR A 50 12.903 -5.829 -8.518 1.00 60.52 H new ATOM 0 HE2 TYR A 50 12.282 -4.208 -12.467 1.00 43.21 H new ATOM 0 HH TYR A 50 12.592 -7.094 -10.377 1.00 4.03 H new ATOM 829 N GLU A 51 14.008 0.284 -10.720 1.00 61.24 N ATOM 830 CA GLU A 51 14.811 0.266 -11.937 1.00 10.15 C ATOM 831 C GLU A 51 16.241 0.732 -11.622 1.00 2.14 C ATOM 832 O GLU A 51 17.163 0.498 -12.402 1.00 72.13 O ATOM 833 CB GLU A 51 14.134 1.101 -13.036 1.00 23.32 C ATOM 834 CG GLU A 51 12.751 0.554 -13.430 1.00 4.15 C ATOM 835 CD GLU A 51 12.758 -0.321 -14.683 1.00 12.53 C ATOM 836 OE1 GLU A 51 12.626 0.223 -15.806 1.00 23.22 O ATOM 837 OE2 GLU A 51 12.750 -1.567 -14.569 1.00 32.54 O ATOM 0 H GLU A 51 13.237 0.951 -10.761 1.00 61.24 H new ATOM 0 HA GLU A 51 14.883 -0.751 -12.322 1.00 10.15 H new ATOM 0 HB2 GLU A 51 14.029 2.130 -12.692 1.00 23.32 H new ATOM 0 HB3 GLU A 51 14.776 1.124 -13.917 1.00 23.32 H new ATOM 0 HG2 GLU A 51 12.351 -0.025 -12.598 1.00 4.15 H new ATOM 0 HG3 GLU A 51 12.073 1.392 -13.590 1.00 4.15 H new ATOM 844 N ARG A 52 16.446 1.400 -10.476 1.00 43.35 N ATOM 845 CA ARG A 52 17.750 1.871 -10.027 1.00 75.02 C ATOM 846 C ARG A 52 18.521 0.748 -9.344 1.00 64.10 C ATOM 847 O ARG A 52 19.737 0.872 -9.182 1.00 62.35 O ATOM 848 CB ARG A 52 17.595 3.037 -9.042 1.00 51.14 C ATOM 849 CG ARG A 52 16.872 4.273 -9.605 1.00 64.31 C ATOM 850 CD ARG A 52 17.652 4.859 -10.785 1.00 73.33 C ATOM 851 NE ARG A 52 16.983 6.017 -11.393 1.00 74.12 N ATOM 852 CZ ARG A 52 16.941 6.277 -12.707 1.00 64.02 C ATOM 853 NH1 ARG A 52 17.600 5.524 -13.587 1.00 24.13 N ATOM 854 NH2 ARG A 52 16.230 7.300 -13.152 1.00 43.40 N ATOM 0 H ARG A 52 15.691 1.628 -9.829 1.00 43.35 H new ATOM 0 HA ARG A 52 18.300 2.208 -10.905 1.00 75.02 H new ATOM 0 HB2 ARG A 52 17.050 2.683 -8.167 1.00 51.14 H new ATOM 0 HB3 ARG A 52 18.585 3.338 -8.701 1.00 51.14 H new ATOM 0 HG2 ARG A 52 15.867 3.999 -9.926 1.00 64.31 H new ATOM 0 HG3 ARG A 52 16.763 5.025 -8.824 1.00 64.31 H new ATOM 0 HD2 ARG A 52 18.645 5.156 -10.447 1.00 73.33 H new ATOM 0 HD3 ARG A 52 17.791 4.087 -11.542 1.00 73.33 H new ATOM 0 HE ARG A 52 16.515 6.673 -10.768 1.00 74.12 H new ATOM 0 HH11 ARG A 52 18.152 4.729 -13.265 1.00 24.13 H new ATOM 0 HH12 ARG A 52 17.552 5.743 -14.582 1.00 24.13 H new ATOM 0 HH21 ARG A 52 15.716 7.888 -12.496 1.00 43.40 H new ATOM 0 HH22 ARG A 52 16.196 7.501 -14.151 1.00 43.40 H new ATOM 868 N LEU A 53 17.851 -0.310 -8.886 1.00 41.43 N ATOM 869 CA LEU A 53 18.517 -1.431 -8.246 1.00 23.13 C ATOM 870 C LEU A 53 19.375 -2.091 -9.317 1.00 5.24 C ATOM 871 O LEU A 53 18.941 -2.286 -10.454 1.00 4.22 O ATOM 872 CB LEU A 53 17.511 -2.430 -7.661 1.00 30.12 C ATOM 873 CG LEU A 53 16.443 -1.785 -6.761 1.00 13.23 C ATOM 874 CD1 LEU A 53 15.493 -2.860 -6.245 1.00 45.25 C ATOM 875 CD2 LEU A 53 17.008 -0.955 -5.613 1.00 45.44 C ATOM 0 H LEU A 53 16.838 -0.408 -8.950 1.00 41.43 H new ATOM 0 HA LEU A 53 19.123 -1.087 -7.408 1.00 23.13 H new ATOM 0 HB2 LEU A 53 17.015 -2.952 -8.479 1.00 30.12 H new ATOM 0 HB3 LEU A 53 18.052 -3.181 -7.085 1.00 30.12 H new ATOM 0 HG LEU A 53 15.901 -1.073 -7.383 1.00 13.23 H new ATOM 0 HD11 LEU A 53 14.737 -2.402 -5.608 1.00 45.25 H new ATOM 0 HD12 LEU A 53 15.007 -3.352 -7.088 1.00 45.25 H new ATOM 0 HD13 LEU A 53 16.055 -3.596 -5.670 1.00 45.25 H new ATOM 0 HD21 LEU A 53 16.188 -0.537 -5.029 1.00 45.44 H new ATOM 0 HD22 LEU A 53 17.623 -1.589 -4.974 1.00 45.44 H new ATOM 0 HD23 LEU A 53 17.617 -0.145 -6.015 1.00 45.44 H new ATOM 887 N ASP A 54 20.610 -2.412 -8.965 1.00 0.14 N ATOM 888 CA ASP A 54 21.569 -3.039 -9.871 1.00 22.30 C ATOM 889 C ASP A 54 21.423 -4.568 -9.874 1.00 50.24 C ATOM 890 O ASP A 54 21.839 -5.247 -10.813 1.00 24.43 O ATOM 891 CB ASP A 54 22.951 -2.536 -9.458 1.00 24.11 C ATOM 892 CG ASP A 54 24.094 -3.423 -9.926 1.00 13.24 C ATOM 893 OD1 ASP A 54 24.709 -3.112 -10.966 1.00 12.41 O ATOM 894 OD2 ASP A 54 24.454 -4.359 -9.173 1.00 32.14 O ATOM 0 H ASP A 54 20.983 -2.244 -8.031 1.00 0.14 H new ATOM 0 HA ASP A 54 21.390 -2.762 -10.910 1.00 22.30 H new ATOM 0 HB2 ASP A 54 23.096 -1.532 -9.857 1.00 24.11 H new ATOM 0 HB3 ASP A 54 22.988 -2.455 -8.372 1.00 24.11 H new ATOM 899 N THR A 55 20.795 -5.125 -8.840 1.00 42.24 N ATOM 900 CA THR A 55 20.545 -6.557 -8.687 1.00 3.40 C ATOM 901 C THR A 55 19.178 -6.704 -8.013 1.00 45.22 C ATOM 902 O THR A 55 19.109 -6.969 -6.810 1.00 4.15 O ATOM 903 CB THR A 55 21.692 -7.221 -7.905 1.00 21.12 C ATOM 904 OG1 THR A 55 22.957 -6.958 -8.483 1.00 33.23 O ATOM 905 CG2 THR A 55 21.556 -8.742 -7.748 1.00 25.21 C ATOM 0 H THR A 55 20.435 -4.574 -8.061 1.00 42.24 H new ATOM 0 HA THR A 55 20.518 -7.072 -9.647 1.00 3.40 H new ATOM 0 HB THR A 55 21.619 -6.768 -6.916 1.00 21.12 H new ATOM 0 HG1 THR A 55 23.656 -7.397 -7.954 1.00 33.23 H new ATOM 0 HG21 THR A 55 22.406 -9.127 -7.185 1.00 25.21 H new ATOM 0 HG22 THR A 55 20.634 -8.972 -7.215 1.00 25.21 H new ATOM 0 HG23 THR A 55 21.531 -9.209 -8.733 1.00 25.21 H new ATOM 913 N PRO A 56 18.086 -6.495 -8.765 1.00 54.53 N ATOM 914 CA PRO A 56 16.739 -6.601 -8.238 1.00 52.12 C ATOM 915 C PRO A 56 16.364 -8.066 -7.930 1.00 62.10 C ATOM 916 O PRO A 56 16.301 -8.871 -8.867 1.00 62.22 O ATOM 917 CB PRO A 56 15.844 -6.020 -9.330 1.00 12.42 C ATOM 918 CG PRO A 56 16.621 -6.167 -10.630 1.00 3.10 C ATOM 919 CD PRO A 56 18.077 -6.161 -10.188 1.00 32.05 C ATOM 0 HA PRO A 56 16.632 -6.068 -7.293 1.00 52.12 H new ATOM 0 HB2 PRO A 56 14.894 -6.552 -9.381 1.00 12.42 H new ATOM 0 HB3 PRO A 56 15.613 -4.974 -9.130 1.00 12.42 H new ATOM 0 HG2 PRO A 56 16.364 -7.092 -11.147 1.00 3.10 H new ATOM 0 HG3 PRO A 56 16.409 -5.348 -11.317 1.00 3.10 H new ATOM 0 HD2 PRO A 56 18.658 -6.885 -10.759 1.00 32.05 H new ATOM 0 HD3 PRO A 56 18.529 -5.184 -10.359 1.00 32.05 H new ATOM 927 N PRO A 57 16.077 -8.439 -6.668 1.00 23.34 N ATOM 928 CA PRO A 57 15.698 -9.797 -6.297 1.00 23.13 C ATOM 929 C PRO A 57 14.299 -10.170 -6.825 1.00 21.00 C ATOM 930 O PRO A 57 14.181 -11.012 -7.719 1.00 23.21 O ATOM 931 CB PRO A 57 15.800 -9.847 -4.765 1.00 62.03 C ATOM 932 CG PRO A 57 15.555 -8.403 -4.329 1.00 1.30 C ATOM 933 CD PRO A 57 16.138 -7.592 -5.485 1.00 32.40 C ATOM 0 HA PRO A 57 16.355 -10.540 -6.749 1.00 23.13 H new ATOM 0 HB2 PRO A 57 15.060 -10.524 -4.338 1.00 62.03 H new ATOM 0 HB3 PRO A 57 16.779 -10.201 -4.442 1.00 62.03 H new ATOM 0 HG2 PRO A 57 14.494 -8.199 -4.187 1.00 1.30 H new ATOM 0 HG3 PRO A 57 16.052 -8.176 -3.386 1.00 1.30 H new ATOM 0 HD2 PRO A 57 15.571 -6.674 -5.638 1.00 32.40 H new ATOM 0 HD3 PRO A 57 17.166 -7.300 -5.272 1.00 32.40 H new ATOM 941 N PHE A 58 13.230 -9.583 -6.272 1.00 55.03 N ATOM 942 CA PHE A 58 11.843 -9.852 -6.658 1.00 60.53 C ATOM 943 C PHE A 58 11.430 -9.106 -7.935 1.00 32.13 C ATOM 944 O PHE A 58 12.128 -8.204 -8.396 1.00 20.32 O ATOM 945 CB PHE A 58 10.914 -9.537 -5.480 1.00 13.41 C ATOM 946 CG PHE A 58 11.053 -10.495 -4.312 1.00 52.04 C ATOM 947 CD1 PHE A 58 10.539 -11.803 -4.410 1.00 32.22 C ATOM 948 CD2 PHE A 58 11.680 -10.082 -3.122 1.00 52.24 C ATOM 949 CE1 PHE A 58 10.639 -12.683 -3.318 1.00 22.14 C ATOM 950 CE2 PHE A 58 11.758 -10.954 -2.024 1.00 62.42 C ATOM 951 CZ PHE A 58 11.232 -12.253 -2.119 1.00 40.31 C ATOM 0 H PHE A 58 13.310 -8.892 -5.526 1.00 55.03 H new ATOM 0 HA PHE A 58 11.756 -10.911 -6.901 1.00 60.53 H new ATOM 0 HB2 PHE A 58 11.116 -8.524 -5.132 1.00 13.41 H new ATOM 0 HB3 PHE A 58 9.882 -9.554 -5.830 1.00 13.41 H new ATOM 0 HD1 PHE A 58 10.068 -12.130 -5.325 1.00 32.22 H new ATOM 0 HD2 PHE A 58 12.103 -9.091 -3.053 1.00 52.24 H new ATOM 0 HE1 PHE A 58 10.260 -13.691 -3.401 1.00 22.14 H new ATOM 0 HE2 PHE A 58 12.223 -10.626 -1.106 1.00 62.42 H new ATOM 0 HZ PHE A 58 11.283 -12.920 -1.271 1.00 40.31 H new ATOM 961 N SER A 59 10.284 -9.491 -8.508 1.00 41.23 N ATOM 962 CA SER A 59 9.740 -8.921 -9.737 1.00 73.23 C ATOM 963 C SER A 59 8.822 -7.719 -9.567 1.00 43.23 C ATOM 964 O SER A 59 8.272 -7.470 -8.494 1.00 32.32 O ATOM 965 CB SER A 59 8.936 -9.984 -10.494 1.00 44.34 C ATOM 966 OG SER A 59 9.637 -11.194 -10.671 1.00 14.20 O ATOM 0 H SER A 59 9.697 -10.227 -8.116 1.00 41.23 H new ATOM 0 HA SER A 59 10.623 -8.577 -10.275 1.00 73.23 H new ATOM 0 HB2 SER A 59 8.011 -10.184 -9.952 1.00 44.34 H new ATOM 0 HB3 SER A 59 8.654 -9.589 -11.470 1.00 44.34 H new ATOM 0 HG SER A 59 9.073 -11.831 -11.157 1.00 14.20 H new ATOM 972 N LYS A 60 8.558 -7.038 -10.687 1.00 65.00 N ATOM 973 CA LYS A 60 7.683 -5.871 -10.761 1.00 54.54 C ATOM 974 C LYS A 60 6.299 -6.208 -10.211 1.00 51.54 C ATOM 975 O LYS A 60 5.843 -5.544 -9.275 1.00 60.15 O ATOM 976 CB LYS A 60 7.670 -5.311 -12.189 1.00 74.35 C ATOM 977 CG LYS A 60 9.046 -4.763 -12.601 1.00 13.45 C ATOM 978 CD LYS A 60 9.033 -4.192 -14.027 1.00 54.41 C ATOM 979 CE LYS A 60 10.286 -3.334 -14.241 1.00 54.31 C ATOM 980 NZ LYS A 60 10.333 -2.681 -15.562 1.00 52.52 N ATOM 0 H LYS A 60 8.959 -7.293 -11.589 1.00 65.00 H new ATOM 0 HA LYS A 60 8.068 -5.073 -10.127 1.00 54.54 H new ATOM 0 HB2 LYS A 60 7.368 -6.095 -12.884 1.00 74.35 H new ATOM 0 HB3 LYS A 60 6.926 -4.517 -12.261 1.00 74.35 H new ATOM 0 HG2 LYS A 60 9.351 -3.985 -11.901 1.00 13.45 H new ATOM 0 HG3 LYS A 60 9.788 -5.559 -12.536 1.00 13.45 H new ATOM 0 HD2 LYS A 60 9.005 -5.002 -14.755 1.00 54.41 H new ATOM 0 HD3 LYS A 60 8.136 -3.592 -14.183 1.00 54.41 H new ATOM 0 HE2 LYS A 60 10.330 -2.570 -13.465 1.00 54.31 H new ATOM 0 HE3 LYS A 60 11.170 -3.960 -14.122 1.00 54.31 H new ATOM 0 HZ1 LYS A 60 11.242 -2.187 -15.673 1.00 52.52 H new ATOM 0 HZ2 LYS A 60 10.236 -3.399 -16.308 1.00 52.52 H new ATOM 0 HZ3 LYS A 60 9.555 -1.995 -15.638 1.00 52.52 H new ATOM 994 N LYS A 61 5.663 -7.277 -10.693 1.00 62.51 N ATOM 995 CA LYS A 61 4.344 -7.675 -10.199 1.00 63.04 C ATOM 996 C LYS A 61 4.348 -7.960 -8.700 1.00 25.05 C ATOM 997 O LYS A 61 3.384 -7.632 -8.015 1.00 40.31 O ATOM 998 CB LYS A 61 3.826 -8.888 -10.987 1.00 13.03 C ATOM 999 CG LYS A 61 4.592 -10.214 -10.791 1.00 32.12 C ATOM 1000 CD LYS A 61 4.041 -11.131 -9.683 1.00 10.34 C ATOM 1001 CE LYS A 61 2.678 -11.721 -10.053 1.00 2.24 C ATOM 1002 NZ LYS A 61 2.186 -12.649 -9.018 1.00 41.15 N ATOM 0 H LYS A 61 6.039 -7.882 -11.423 1.00 62.51 H new ATOM 0 HA LYS A 61 3.668 -6.835 -10.356 1.00 63.04 H new ATOM 0 HB2 LYS A 61 2.784 -9.052 -10.714 1.00 13.03 H new ATOM 0 HB3 LYS A 61 3.842 -8.638 -12.048 1.00 13.03 H new ATOM 0 HG2 LYS A 61 4.583 -10.763 -11.733 1.00 32.12 H new ATOM 0 HG3 LYS A 61 5.633 -9.984 -10.566 1.00 32.12 H new ATOM 0 HD2 LYS A 61 4.748 -11.940 -9.497 1.00 10.34 H new ATOM 0 HD3 LYS A 61 3.952 -10.566 -8.755 1.00 10.34 H new ATOM 0 HE2 LYS A 61 1.958 -10.915 -10.191 1.00 2.24 H new ATOM 0 HE3 LYS A 61 2.755 -12.246 -11.005 1.00 2.24 H new ATOM 0 HZ1 LYS A 61 1.351 -13.155 -9.375 1.00 41.15 H new ATOM 0 HZ2 LYS A 61 2.932 -13.334 -8.783 1.00 41.15 H new ATOM 0 HZ3 LYS A 61 1.928 -12.113 -8.165 1.00 41.15 H new ATOM 1016 N SER A 62 5.424 -8.552 -8.179 1.00 70.22 N ATOM 1017 CA SER A 62 5.567 -8.912 -6.776 1.00 75.22 C ATOM 1018 C SER A 62 5.496 -7.682 -5.868 1.00 1.24 C ATOM 1019 O SER A 62 4.998 -7.794 -4.744 1.00 22.14 O ATOM 1020 CB SER A 62 6.844 -9.749 -6.592 1.00 73.35 C ATOM 1021 OG SER A 62 6.958 -10.697 -7.652 1.00 42.24 O ATOM 0 H SER A 62 6.239 -8.799 -8.740 1.00 70.22 H new ATOM 0 HA SER A 62 4.726 -9.533 -6.468 1.00 75.22 H new ATOM 0 HB2 SER A 62 7.718 -9.098 -6.579 1.00 73.35 H new ATOM 0 HB3 SER A 62 6.817 -10.265 -5.632 1.00 73.35 H new ATOM 0 HG SER A 62 7.774 -11.226 -7.531 1.00 42.24 H new ATOM 1027 N LEU A 63 5.934 -6.511 -6.355 1.00 72.45 N ATOM 1028 CA LEU A 63 5.892 -5.269 -5.593 1.00 2.25 C ATOM 1029 C LEU A 63 4.431 -4.859 -5.465 1.00 44.30 C ATOM 1030 O LEU A 63 3.926 -4.726 -4.356 1.00 51.23 O ATOM 1031 CB LEU A 63 6.703 -4.174 -6.315 1.00 11.43 C ATOM 1032 CG LEU A 63 6.897 -2.854 -5.536 1.00 22.00 C ATOM 1033 CD1 LEU A 63 7.974 -1.940 -6.145 1.00 63.14 C ATOM 1034 CD2 LEU A 63 5.607 -2.048 -5.366 1.00 71.35 C ATOM 0 H LEU A 63 6.327 -6.406 -7.291 1.00 72.45 H new ATOM 0 HA LEU A 63 6.333 -5.408 -4.606 1.00 2.25 H new ATOM 0 HB2 LEU A 63 7.686 -4.578 -6.558 1.00 11.43 H new ATOM 0 HB3 LEU A 63 6.209 -3.947 -7.260 1.00 11.43 H new ATOM 0 HG LEU A 63 7.231 -3.186 -4.553 1.00 22.00 H new ATOM 0 HD11 LEU A 63 8.059 -1.031 -5.549 1.00 63.14 H new ATOM 0 HD12 LEU A 63 8.932 -2.460 -6.152 1.00 63.14 H new ATOM 0 HD13 LEU A 63 7.695 -1.680 -7.166 1.00 63.14 H new ATOM 0 HD21 LEU A 63 5.819 -1.135 -4.810 1.00 71.35 H new ATOM 0 HD22 LEU A 63 5.207 -1.791 -6.347 1.00 71.35 H new ATOM 0 HD23 LEU A 63 4.875 -2.643 -4.820 1.00 71.35 H new ATOM 1046 N ARG A 64 3.726 -4.741 -6.596 1.00 42.24 N ATOM 1047 CA ARG A 64 2.323 -4.339 -6.640 1.00 22.11 C ATOM 1048 C ARG A 64 1.458 -5.290 -5.826 1.00 30.35 C ATOM 1049 O ARG A 64 0.631 -4.831 -5.043 1.00 42.25 O ATOM 1050 CB ARG A 64 1.880 -4.230 -8.110 1.00 64.53 C ATOM 1051 CG ARG A 64 0.423 -3.800 -8.337 1.00 42.22 C ATOM 1052 CD ARG A 64 0.011 -2.513 -7.606 1.00 0.13 C ATOM 1053 NE ARG A 64 -1.144 -1.860 -8.245 1.00 14.55 N ATOM 1054 CZ ARG A 64 -2.398 -2.314 -8.357 1.00 50.03 C ATOM 1055 NH1 ARG A 64 -2.768 -3.491 -7.861 1.00 32.32 N ATOM 1056 NH2 ARG A 64 -3.288 -1.576 -8.998 1.00 74.10 N ATOM 0 H ARG A 64 4.123 -4.926 -7.517 1.00 42.24 H new ATOM 0 HA ARG A 64 2.199 -3.359 -6.179 1.00 22.11 H new ATOM 0 HB2 ARG A 64 2.532 -3.518 -8.615 1.00 64.53 H new ATOM 0 HB3 ARG A 64 2.033 -5.197 -8.589 1.00 64.53 H new ATOM 0 HG2 ARG A 64 0.262 -3.662 -9.406 1.00 42.22 H new ATOM 0 HG3 ARG A 64 -0.234 -4.609 -8.018 1.00 42.22 H new ATOM 0 HD2 ARG A 64 -0.233 -2.747 -6.570 1.00 0.13 H new ATOM 0 HD3 ARG A 64 0.853 -1.822 -7.587 1.00 0.13 H new ATOM 0 HE ARG A 64 -0.965 -0.943 -8.655 1.00 14.55 H new ATOM 0 HH11 ARG A 64 -2.088 -4.077 -7.378 1.00 32.32 H new ATOM 0 HH12 ARG A 64 -3.732 -3.807 -7.964 1.00 32.32 H new ATOM 0 HH21 ARG A 64 -3.014 -0.678 -9.397 1.00 74.10 H new ATOM 0 HH22 ARG A 64 -4.249 -1.905 -9.094 1.00 74.10 H new ATOM 1070 N GLU A 65 1.654 -6.599 -5.976 1.00 43.31 N ATOM 1071 CA GLU A 65 0.895 -7.613 -5.261 1.00 3.30 C ATOM 1072 C GLU A 65 1.076 -7.461 -3.746 1.00 34.22 C ATOM 1073 O GLU A 65 0.088 -7.507 -3.004 1.00 1.21 O ATOM 1074 CB GLU A 65 1.281 -9.000 -5.795 1.00 64.40 C ATOM 1075 CG GLU A 65 0.409 -10.127 -5.220 1.00 74.34 C ATOM 1076 CD GLU A 65 0.336 -11.324 -6.174 1.00 35.34 C ATOM 1077 OE1 GLU A 65 1.373 -11.960 -6.472 1.00 5.13 O ATOM 1078 OE2 GLU A 65 -0.755 -11.604 -6.728 1.00 11.42 O ATOM 0 H GLU A 65 2.355 -6.986 -6.607 1.00 43.31 H new ATOM 0 HA GLU A 65 -0.173 -7.485 -5.439 1.00 3.30 H new ATOM 0 HB2 GLU A 65 1.197 -9.001 -6.882 1.00 64.40 H new ATOM 0 HB3 GLU A 65 2.326 -9.198 -5.556 1.00 64.40 H new ATOM 0 HG2 GLU A 65 0.815 -10.449 -4.261 1.00 74.34 H new ATOM 0 HG3 GLU A 65 -0.596 -9.750 -5.030 1.00 74.34 H new ATOM 1085 N ALA A 66 2.304 -7.269 -3.258 1.00 70.11 N ATOM 1086 CA ALA A 66 2.514 -7.109 -1.827 1.00 14.44 C ATOM 1087 C ALA A 66 2.041 -5.735 -1.337 1.00 2.22 C ATOM 1088 O ALA A 66 1.452 -5.668 -0.261 1.00 23.25 O ATOM 1089 CB ALA A 66 3.967 -7.357 -1.453 1.00 0.45 C ATOM 0 H ALA A 66 3.151 -7.222 -3.825 1.00 70.11 H new ATOM 0 HA ALA A 66 1.907 -7.861 -1.323 1.00 14.44 H new ATOM 0 HB1 ALA A 66 4.093 -7.230 -0.378 1.00 0.45 H new ATOM 0 HB2 ALA A 66 4.247 -8.372 -1.734 1.00 0.45 H new ATOM 0 HB3 ALA A 66 4.605 -6.646 -1.979 1.00 0.45 H new ATOM 1095 N LEU A 67 2.247 -4.655 -2.101 1.00 25.32 N ATOM 1096 CA LEU A 67 1.824 -3.308 -1.711 1.00 44.55 C ATOM 1097 C LEU A 67 0.300 -3.264 -1.599 1.00 51.04 C ATOM 1098 O LEU A 67 -0.209 -2.649 -0.666 1.00 50.54 O ATOM 1099 CB LEU A 67 2.335 -2.243 -2.709 1.00 15.03 C ATOM 1100 CG LEU A 67 2.696 -0.869 -2.095 1.00 5.43 C ATOM 1101 CD1 LEU A 67 3.126 0.091 -3.211 1.00 3.31 C ATOM 1102 CD2 LEU A 67 1.581 -0.186 -1.297 1.00 20.11 C ATOM 0 H LEU A 67 2.712 -4.693 -3.008 1.00 25.32 H new ATOM 0 HA LEU A 67 2.261 -3.074 -0.740 1.00 44.55 H new ATOM 0 HB2 LEU A 67 3.216 -2.638 -3.214 1.00 15.03 H new ATOM 0 HB3 LEU A 67 1.572 -2.090 -3.472 1.00 15.03 H new ATOM 0 HG LEU A 67 3.495 -1.085 -1.386 1.00 5.43 H new ATOM 0 HD11 LEU A 67 3.381 1.059 -2.780 1.00 3.31 H new ATOM 0 HD12 LEU A 67 3.996 -0.317 -3.727 1.00 3.31 H new ATOM 0 HD13 LEU A 67 2.308 0.214 -3.921 1.00 3.31 H new ATOM 0 HD21 LEU A 67 1.941 0.768 -0.912 1.00 20.11 H new ATOM 0 HD22 LEU A 67 0.722 -0.015 -1.946 1.00 20.11 H new ATOM 0 HD23 LEU A 67 1.286 -0.825 -0.465 1.00 20.11 H new ATOM 1114 N SER A 68 -0.437 -3.960 -2.484 1.00 35.04 N ATOM 1115 CA SER A 68 -1.896 -3.967 -2.445 1.00 74.25 C ATOM 1116 C SER A 68 -2.399 -4.446 -1.089 1.00 2.04 C ATOM 1117 O SER A 68 -3.480 -4.059 -0.657 1.00 53.32 O ATOM 1118 CB SER A 68 -2.522 -4.739 -3.618 1.00 42.41 C ATOM 1119 OG SER A 68 -1.919 -5.971 -3.981 1.00 53.43 O ATOM 0 H SER A 68 -0.037 -4.524 -3.234 1.00 35.04 H new ATOM 0 HA SER A 68 -2.229 -2.937 -2.572 1.00 74.25 H new ATOM 0 HB2 SER A 68 -3.567 -4.933 -3.375 1.00 42.41 H new ATOM 0 HB3 SER A 68 -2.514 -4.089 -4.493 1.00 42.41 H new ATOM 0 HG SER A 68 -1.234 -6.207 -3.321 1.00 53.43 H new ATOM 1125 N TYR A 69 -1.627 -5.331 -0.457 1.00 15.31 N ATOM 1126 CA TYR A 69 -1.901 -5.905 0.838 1.00 33.23 C ATOM 1127 C TYR A 69 -1.879 -4.829 1.922 1.00 2.33 C ATOM 1128 O TYR A 69 -2.697 -4.892 2.836 1.00 53.34 O ATOM 1129 CB TYR A 69 -0.847 -6.976 1.111 1.00 24.43 C ATOM 1130 CG TYR A 69 -1.397 -8.254 1.669 1.00 2.32 C ATOM 1131 CD1 TYR A 69 -1.146 -8.620 3.001 1.00 2.34 C ATOM 1132 CD2 TYR A 69 -2.123 -9.094 0.809 1.00 40.41 C ATOM 1133 CE1 TYR A 69 -1.639 -9.840 3.484 1.00 72.50 C ATOM 1134 CE2 TYR A 69 -2.630 -10.313 1.293 1.00 23.33 C ATOM 1135 CZ TYR A 69 -2.401 -10.681 2.641 1.00 44.24 C ATOM 1136 OH TYR A 69 -2.919 -11.837 3.133 1.00 71.33 O ATOM 0 H TYR A 69 -0.757 -5.675 -0.862 1.00 15.31 H new ATOM 0 HA TYR A 69 -2.896 -6.351 0.848 1.00 33.23 H new ATOM 0 HB2 TYR A 69 -0.320 -7.196 0.183 1.00 24.43 H new ATOM 0 HB3 TYR A 69 -0.111 -6.576 1.808 1.00 24.43 H new ATOM 0 HD1 TYR A 69 -0.578 -7.967 3.648 1.00 2.34 H new ATOM 0 HD2 TYR A 69 -2.291 -8.805 -0.218 1.00 40.41 H new ATOM 0 HE1 TYR A 69 -1.436 -10.138 4.502 1.00 72.50 H new ATOM 0 HE2 TYR A 69 -3.191 -10.965 0.640 1.00 23.33 H new ATOM 0 HH TYR A 69 -3.417 -12.299 2.427 1.00 71.33 H new ATOM 1146 N TYR A 70 -0.929 -3.886 1.877 1.00 12.25 N ATOM 1147 CA TYR A 70 -0.839 -2.805 2.859 1.00 11.34 C ATOM 1148 C TYR A 70 -2.035 -1.881 2.657 1.00 71.01 C ATOM 1149 O TYR A 70 -2.713 -1.535 3.620 1.00 31.22 O ATOM 1150 CB TYR A 70 0.514 -2.081 2.790 1.00 70.21 C ATOM 1151 CG TYR A 70 1.457 -2.428 3.935 1.00 43.33 C ATOM 1152 CD1 TYR A 70 1.569 -3.749 4.418 1.00 42.32 C ATOM 1153 CD2 TYR A 70 2.214 -1.409 4.543 1.00 52.23 C ATOM 1154 CE1 TYR A 70 2.410 -4.037 5.508 1.00 41.42 C ATOM 1155 CE2 TYR A 70 3.081 -1.695 5.611 1.00 52.13 C ATOM 1156 CZ TYR A 70 3.178 -3.015 6.105 1.00 1.31 C ATOM 1157 OH TYR A 70 3.986 -3.306 7.162 1.00 33.13 O ATOM 0 H TYR A 70 -0.204 -3.853 1.160 1.00 12.25 H new ATOM 0 HA TYR A 70 -0.881 -3.209 3.871 1.00 11.34 H new ATOM 0 HB2 TYR A 70 0.999 -2.327 1.845 1.00 70.21 H new ATOM 0 HB3 TYR A 70 0.340 -1.005 2.789 1.00 70.21 H new ATOM 0 HD1 TYR A 70 1.006 -4.543 3.949 1.00 42.32 H new ATOM 0 HD2 TYR A 70 2.127 -0.394 4.184 1.00 52.23 H new ATOM 0 HE1 TYR A 70 2.468 -5.046 5.890 1.00 41.42 H new ATOM 0 HE2 TYR A 70 3.672 -0.907 6.054 1.00 52.13 H new ATOM 0 HH TYR A 70 4.101 -2.506 7.716 1.00 33.13 H new ATOM 1167 N SER A 71 -2.364 -1.527 1.414 1.00 0.05 N ATOM 1168 CA SER A 71 -3.540 -0.686 1.163 1.00 20.31 C ATOM 1169 C SER A 71 -4.855 -1.464 1.421 1.00 53.12 C ATOM 1170 O SER A 71 -5.952 -0.911 1.335 1.00 42.14 O ATOM 1171 CB SER A 71 -3.476 -0.054 -0.222 1.00 53.42 C ATOM 1172 OG SER A 71 -2.734 -0.823 -1.149 1.00 44.13 O ATOM 0 H SER A 71 -1.846 -1.802 0.579 1.00 0.05 H new ATOM 0 HA SER A 71 -3.533 0.138 1.876 1.00 20.31 H new ATOM 0 HB2 SER A 71 -4.489 0.082 -0.600 1.00 53.42 H new ATOM 0 HB3 SER A 71 -3.030 0.937 -0.142 1.00 53.42 H new ATOM 0 HG SER A 71 -2.728 -0.371 -2.018 1.00 44.13 H new ATOM 1178 N ALA A 72 -4.760 -2.759 1.733 1.00 33.01 N ATOM 1179 CA ALA A 72 -5.849 -3.666 2.062 1.00 43.02 C ATOM 1180 C ALA A 72 -5.765 -4.001 3.561 1.00 22.10 C ATOM 1181 O ALA A 72 -6.474 -4.897 4.026 1.00 71.13 O ATOM 1182 CB ALA A 72 -5.783 -4.922 1.183 1.00 31.43 C ATOM 0 H ALA A 72 -3.855 -3.228 1.763 1.00 33.01 H new ATOM 0 HA ALA A 72 -6.812 -3.196 1.862 1.00 43.02 H new ATOM 0 HB1 ALA A 72 -6.604 -5.590 1.441 1.00 31.43 H new ATOM 0 HB2 ALA A 72 -5.864 -4.637 0.134 1.00 31.43 H new ATOM 0 HB3 ALA A 72 -4.834 -5.432 1.348 1.00 31.43 H new ATOM 1188 N SER A 73 -4.856 -3.357 4.311 1.00 62.21 N ATOM 1189 CA SER A 73 -4.717 -3.583 5.739 1.00 1.12 C ATOM 1190 C SER A 73 -6.003 -3.089 6.408 1.00 11.33 C ATOM 1191 O SER A 73 -6.661 -2.178 5.896 1.00 3.53 O ATOM 1192 CB SER A 73 -3.510 -2.832 6.321 1.00 61.13 C ATOM 1193 OG SER A 73 -2.273 -3.461 6.035 1.00 43.40 O ATOM 0 H SER A 73 -4.203 -2.669 3.935 1.00 62.21 H new ATOM 0 HA SER A 73 -4.553 -4.645 5.923 1.00 1.12 H new ATOM 0 HB2 SER A 73 -3.495 -1.817 5.924 1.00 61.13 H new ATOM 0 HB3 SER A 73 -3.628 -2.750 7.402 1.00 61.13 H new ATOM 0 HG SER A 73 -1.542 -2.939 6.428 1.00 43.40 H new ATOM 1199 N PRO A 74 -6.346 -3.633 7.584 1.00 52.00 N ATOM 1200 CA PRO A 74 -7.553 -3.229 8.272 1.00 74.40 C ATOM 1201 C PRO A 74 -7.494 -1.763 8.653 1.00 52.22 C ATOM 1202 O PRO A 74 -8.468 -1.057 8.429 1.00 12.15 O ATOM 1203 CB PRO A 74 -7.684 -4.120 9.503 1.00 13.35 C ATOM 1204 CG PRO A 74 -6.307 -4.757 9.672 1.00 33.22 C ATOM 1205 CD PRO A 74 -5.651 -4.689 8.296 1.00 33.30 C ATOM 0 HA PRO A 74 -8.424 -3.344 7.627 1.00 74.40 H new ATOM 0 HB2 PRO A 74 -7.962 -3.540 10.383 1.00 13.35 H new ATOM 0 HB3 PRO A 74 -8.456 -4.877 9.363 1.00 13.35 H new ATOM 0 HG2 PRO A 74 -5.716 -4.221 10.415 1.00 33.22 H new ATOM 0 HG3 PRO A 74 -6.392 -5.788 10.015 1.00 33.22 H new ATOM 0 HD2 PRO A 74 -4.586 -4.470 8.380 1.00 33.30 H new ATOM 0 HD3 PRO A 74 -5.741 -5.640 7.772 1.00 33.30 H new ATOM 1213 N ALA A 75 -6.358 -1.303 9.187 1.00 74.23 N ATOM 1214 CA ALA A 75 -6.181 0.070 9.613 1.00 73.44 C ATOM 1215 C ALA A 75 -6.444 1.065 8.487 1.00 21.32 C ATOM 1216 O ALA A 75 -7.193 2.002 8.704 1.00 54.35 O ATOM 1217 CB ALA A 75 -4.769 0.220 10.168 1.00 54.31 C ATOM 0 H ALA A 75 -5.534 -1.886 9.333 1.00 74.23 H new ATOM 0 HA ALA A 75 -6.913 0.299 10.388 1.00 73.44 H new ATOM 0 HB1 ALA A 75 -4.614 1.248 10.495 1.00 54.31 H new ATOM 0 HB2 ALA A 75 -4.637 -0.454 11.014 1.00 54.31 H new ATOM 0 HB3 ALA A 75 -4.045 -0.027 9.392 1.00 54.31 H new ATOM 1223 N TYR A 76 -5.875 0.856 7.295 1.00 34.54 N ATOM 1224 CA TYR A 76 -6.047 1.751 6.153 1.00 30.32 C ATOM 1225 C TYR A 76 -7.515 1.962 5.797 1.00 0.44 C ATOM 1226 O TYR A 76 -7.926 3.084 5.500 1.00 3.24 O ATOM 1227 CB TYR A 76 -5.275 1.194 4.941 1.00 55.32 C ATOM 1228 CG TYR A 76 -5.462 1.996 3.662 1.00 11.40 C ATOM 1229 CD1 TYR A 76 -4.550 3.012 3.319 1.00 73.42 C ATOM 1230 CD2 TYR A 76 -6.570 1.747 2.825 1.00 2.51 C ATOM 1231 CE1 TYR A 76 -4.757 3.781 2.163 1.00 32.12 C ATOM 1232 CE2 TYR A 76 -6.782 2.516 1.665 1.00 43.32 C ATOM 1233 CZ TYR A 76 -5.878 3.550 1.336 1.00 43.42 C ATOM 1234 OH TYR A 76 -6.070 4.346 0.244 1.00 41.53 O ATOM 0 H TYR A 76 -5.278 0.053 7.097 1.00 34.54 H new ATOM 0 HA TYR A 76 -5.646 2.726 6.431 1.00 30.32 H new ATOM 0 HB2 TYR A 76 -4.213 1.161 5.184 1.00 55.32 H new ATOM 0 HB3 TYR A 76 -5.593 0.167 4.762 1.00 55.32 H new ATOM 0 HD1 TYR A 76 -3.691 3.200 3.946 1.00 73.42 H new ATOM 0 HD2 TYR A 76 -7.263 0.958 3.077 1.00 2.51 H new ATOM 0 HE1 TYR A 76 -4.052 4.557 1.904 1.00 32.12 H new ATOM 0 HE2 TYR A 76 -7.632 2.316 1.030 1.00 43.32 H new ATOM 0 HH TYR A 76 -6.882 4.065 -0.227 1.00 41.53 H new ATOM 1244 N LEU A 77 -8.290 0.882 5.772 1.00 22.21 N ATOM 1245 CA LEU A 77 -9.701 0.942 5.431 1.00 42.02 C ATOM 1246 C LEU A 77 -10.509 1.506 6.594 1.00 43.23 C ATOM 1247 O LEU A 77 -11.320 2.408 6.422 1.00 73.51 O ATOM 1248 CB LEU A 77 -10.188 -0.451 5.026 1.00 21.35 C ATOM 1249 CG LEU A 77 -9.355 -1.102 3.908 1.00 32.32 C ATOM 1250 CD1 LEU A 77 -9.604 -2.604 3.924 1.00 32.25 C ATOM 1251 CD2 LEU A 77 -9.649 -0.478 2.543 1.00 42.30 C ATOM 0 H LEU A 77 -7.955 -0.057 5.988 1.00 22.21 H new ATOM 0 HA LEU A 77 -9.843 1.614 4.584 1.00 42.02 H new ATOM 0 HB2 LEU A 77 -10.172 -1.100 5.902 1.00 21.35 H new ATOM 0 HB3 LEU A 77 -11.226 -0.382 4.699 1.00 21.35 H new ATOM 0 HG LEU A 77 -8.296 -0.919 4.091 1.00 32.32 H new ATOM 0 HD11 LEU A 77 -9.019 -3.078 3.136 1.00 32.25 H new ATOM 0 HD12 LEU A 77 -9.308 -3.012 4.891 1.00 32.25 H new ATOM 0 HD13 LEU A 77 -10.663 -2.799 3.757 1.00 32.25 H new ATOM 0 HD21 LEU A 77 -9.041 -0.966 1.781 1.00 42.30 H new ATOM 0 HD22 LEU A 77 -10.704 -0.608 2.303 1.00 42.30 H new ATOM 0 HD23 LEU A 77 -9.412 0.586 2.570 1.00 42.30 H new ATOM 1263 N SER A 78 -10.257 0.998 7.795 1.00 31.13 N ATOM 1264 CA SER A 78 -10.905 1.395 9.036 1.00 32.21 C ATOM 1265 C SER A 78 -10.705 2.882 9.338 1.00 20.05 C ATOM 1266 O SER A 78 -11.552 3.475 10.008 1.00 52.42 O ATOM 1267 CB SER A 78 -10.307 0.532 10.148 1.00 61.34 C ATOM 1268 OG SER A 78 -10.928 0.723 11.401 1.00 15.54 O ATOM 0 H SER A 78 -9.563 0.264 7.935 1.00 31.13 H new ATOM 0 HA SER A 78 -11.982 1.245 8.956 1.00 32.21 H new ATOM 0 HB2 SER A 78 -10.389 -0.518 9.867 1.00 61.34 H new ATOM 0 HB3 SER A 78 -9.244 0.756 10.240 1.00 61.34 H new ATOM 0 HG SER A 78 -10.504 0.144 12.068 1.00 15.54 H new ATOM 1274 N CYS A 79 -9.611 3.482 8.868 1.00 60.14 N ATOM 1275 CA CYS A 79 -9.282 4.879 9.074 1.00 53.34 C ATOM 1276 C CYS A 79 -9.904 5.791 8.010 1.00 23.23 C ATOM 1277 O CYS A 79 -9.580 6.969 8.000 1.00 35.34 O ATOM 1278 CB CYS A 79 -7.776 5.041 9.282 1.00 4.02 C ATOM 1279 SG CYS A 79 -6.846 4.989 7.735 1.00 3.21 S ATOM 0 H CYS A 79 -8.911 2.986 8.316 1.00 60.14 H new ATOM 0 HA CYS A 79 -9.747 5.225 9.997 1.00 53.34 H new ATOM 0 HB2 CYS A 79 -7.583 5.989 9.785 1.00 4.02 H new ATOM 0 HB3 CYS A 79 -7.418 4.251 9.942 1.00 4.02 H new ATOM 0 HG CYS A 79 -7.483 4.256 6.870 1.00 3.21 H new ATOM 1285 N GLN A 80 -10.747 5.274 7.105 1.00 73.24 N ATOM 1286 CA GLN A 80 -11.482 5.966 6.032 1.00 72.51 C ATOM 1287 C GLN A 80 -11.884 7.412 6.381 1.00 23.33 C ATOM 1288 O GLN A 80 -12.986 7.671 6.876 1.00 71.10 O ATOM 1289 CB GLN A 80 -12.736 5.140 5.666 1.00 14.25 C ATOM 1290 CG GLN A 80 -13.580 4.609 6.852 1.00 71.24 C ATOM 1291 CD GLN A 80 -14.590 3.537 6.445 1.00 53.12 C ATOM 1292 OE1 GLN A 80 -14.770 3.206 5.281 1.00 23.11 O ATOM 1293 NE2 GLN A 80 -15.295 2.964 7.406 1.00 71.31 N ATOM 0 H GLN A 80 -10.951 4.275 7.103 1.00 73.24 H new ATOM 0 HA GLN A 80 -10.804 6.044 5.182 1.00 72.51 H new ATOM 0 HB2 GLN A 80 -13.379 5.756 5.037 1.00 14.25 H new ATOM 0 HB3 GLN A 80 -12.421 4.289 5.063 1.00 14.25 H new ATOM 0 HG2 GLN A 80 -12.912 4.199 7.609 1.00 71.24 H new ATOM 0 HG3 GLN A 80 -14.111 5.442 7.312 1.00 71.24 H new ATOM 0 HE21 GLN A 80 -15.148 3.237 8.378 1.00 71.31 H new ATOM 0 HE22 GLN A 80 -15.985 2.249 7.175 1.00 71.31 H new ATOM 1302 N LYS A 81 -11.023 8.382 6.076 1.00 35.21 N ATOM 1303 CA LYS A 81 -11.219 9.791 6.348 1.00 21.50 C ATOM 1304 C LYS A 81 -10.993 10.588 5.070 1.00 34.10 C ATOM 1305 O LYS A 81 -9.853 10.682 4.610 1.00 71.23 O ATOM 1306 CB LYS A 81 -10.247 10.243 7.450 1.00 2.01 C ATOM 1307 CG LYS A 81 -10.610 9.639 8.818 1.00 73.13 C ATOM 1308 CD LYS A 81 -11.035 10.677 9.846 1.00 74.52 C ATOM 1309 CE LYS A 81 -9.786 11.257 10.511 1.00 53.33 C ATOM 1310 NZ LYS A 81 -10.120 12.344 11.454 1.00 34.12 N ATOM 0 H LYS A 81 -10.134 8.191 5.613 1.00 35.21 H new ATOM 0 HA LYS A 81 -12.238 9.964 6.693 1.00 21.50 H new ATOM 0 HB2 LYS A 81 -9.232 9.950 7.182 1.00 2.01 H new ATOM 0 HB3 LYS A 81 -10.257 11.331 7.519 1.00 2.01 H new ATOM 0 HG2 LYS A 81 -11.417 8.919 8.686 1.00 73.13 H new ATOM 0 HG3 LYS A 81 -9.751 9.089 9.203 1.00 73.13 H new ATOM 0 HD2 LYS A 81 -11.609 11.470 9.366 1.00 74.52 H new ATOM 0 HD3 LYS A 81 -11.684 10.222 10.595 1.00 74.52 H new ATOM 0 HE2 LYS A 81 -9.256 10.466 11.042 1.00 53.33 H new ATOM 0 HE3 LYS A 81 -9.109 11.636 9.745 1.00 53.33 H new ATOM 0 HZ1 LYS A 81 -9.247 12.711 11.884 1.00 34.12 H new ATOM 0 HZ2 LYS A 81 -10.603 13.110 10.943 1.00 34.12 H new ATOM 0 HZ3 LYS A 81 -10.745 11.977 12.199 1.00 34.12 H new ATOM 1324 N PRO A 82 -12.062 11.113 4.450 1.00 74.35 N ATOM 1325 CA PRO A 82 -11.921 11.937 3.259 1.00 72.13 C ATOM 1326 C PRO A 82 -11.296 13.261 3.708 1.00 72.51 C ATOM 1327 O PRO A 82 -11.133 13.477 4.913 1.00 75.14 O ATOM 1328 CB PRO A 82 -13.341 12.121 2.731 1.00 35.34 C ATOM 1329 CG PRO A 82 -14.188 12.072 4.002 1.00 2.24 C ATOM 1330 CD PRO A 82 -13.451 11.063 4.877 1.00 72.22 C ATOM 0 HA PRO A 82 -11.290 11.510 2.479 1.00 72.13 H new ATOM 0 HB2 PRO A 82 -13.457 13.069 2.205 1.00 35.34 H new ATOM 0 HB3 PRO A 82 -13.617 11.332 2.031 1.00 35.34 H new ATOM 0 HG2 PRO A 82 -14.251 13.049 4.481 1.00 2.24 H new ATOM 0 HG3 PRO A 82 -15.209 11.753 3.793 1.00 2.24 H new ATOM 0 HD2 PRO A 82 -13.546 11.317 5.933 1.00 72.22 H new ATOM 0 HD3 PRO A 82 -13.863 10.062 4.752 1.00 72.22 H new ATOM 1338 N ASP A 83 -10.984 14.157 2.769 1.00 0.31 N ATOM 1339 CA ASP A 83 -10.368 15.455 3.105 1.00 64.24 C ATOM 1340 C ASP A 83 -9.078 15.173 3.897 1.00 44.24 C ATOM 1341 O ASP A 83 -8.976 15.333 5.114 1.00 54.00 O ATOM 1342 CB ASP A 83 -11.401 16.381 3.788 1.00 70.24 C ATOM 1343 CG ASP A 83 -10.812 17.406 4.760 1.00 73.52 C ATOM 1344 OD1 ASP A 83 -11.273 17.433 5.932 1.00 71.41 O ATOM 1345 OD2 ASP A 83 -9.951 18.216 4.343 1.00 13.22 O ATOM 0 H ASP A 83 -11.145 14.014 1.772 1.00 0.31 H new ATOM 0 HA ASP A 83 -10.067 16.018 2.221 1.00 64.24 H new ATOM 0 HB2 ASP A 83 -11.955 16.913 3.015 1.00 70.24 H new ATOM 0 HB3 ASP A 83 -12.119 15.763 4.327 1.00 70.24 H new ATOM 1350 N THR A 84 -8.072 14.673 3.174 1.00 71.53 N ATOM 1351 CA THR A 84 -6.784 14.310 3.757 1.00 34.43 C ATOM 1352 C THR A 84 -5.548 14.713 2.950 1.00 21.30 C ATOM 1353 O THR A 84 -4.474 14.658 3.539 1.00 51.11 O ATOM 1354 CB THR A 84 -6.834 12.801 4.103 1.00 71.24 C ATOM 1355 OG1 THR A 84 -5.648 12.333 4.715 1.00 60.21 O ATOM 1356 CG2 THR A 84 -7.100 11.919 2.874 1.00 64.45 C ATOM 0 H THR A 84 -8.131 14.510 2.169 1.00 71.53 H new ATOM 0 HA THR A 84 -6.647 14.904 4.661 1.00 34.43 H new ATOM 0 HB THR A 84 -7.663 12.719 4.805 1.00 71.24 H new ATOM 0 HG1 THR A 84 -4.919 12.964 4.541 1.00 60.21 H new ATOM 0 HG21 THR A 84 -7.124 10.872 3.176 1.00 64.45 H new ATOM 0 HG22 THR A 84 -8.058 12.191 2.431 1.00 64.45 H new ATOM 0 HG23 THR A 84 -6.307 12.067 2.141 1.00 64.45 H new ATOM 1364 N ALA A 85 -5.665 15.117 1.677 1.00 1.34 N ATOM 1365 CA ALA A 85 -4.550 15.524 0.805 1.00 13.55 C ATOM 1366 C ALA A 85 -3.423 14.482 0.779 1.00 3.25 C ATOM 1367 O ALA A 85 -2.505 14.481 1.602 1.00 10.24 O ATOM 1368 CB ALA A 85 -4.058 16.928 1.178 1.00 4.40 C ATOM 0 H ALA A 85 -6.569 15.172 1.208 1.00 1.34 H new ATOM 0 HA ALA A 85 -4.922 15.574 -0.218 1.00 13.55 H new ATOM 0 HB1 ALA A 85 -3.234 17.211 0.523 1.00 4.40 H new ATOM 0 HB2 ALA A 85 -4.874 17.642 1.064 1.00 4.40 H new ATOM 0 HB3 ALA A 85 -3.716 16.931 2.213 1.00 4.40 H new ATOM 1374 N ARG A 86 -3.561 13.503 -0.118 1.00 63.11 N ATOM 1375 CA ARG A 86 -2.554 12.444 -0.252 1.00 54.33 C ATOM 1376 C ARG A 86 -1.267 13.014 -0.881 1.00 33.13 C ATOM 1377 O ARG A 86 -1.231 14.172 -1.299 1.00 24.11 O ATOM 1378 CB ARG A 86 -3.174 11.190 -0.914 1.00 4.15 C ATOM 1379 CG ARG A 86 -3.744 11.401 -2.322 1.00 40.34 C ATOM 1380 CD ARG A 86 -4.967 10.537 -2.679 1.00 10.31 C ATOM 1381 NE ARG A 86 -5.797 11.095 -3.771 1.00 34.33 N ATOM 1382 CZ ARG A 86 -5.436 11.498 -4.997 1.00 42.22 C ATOM 1383 NH1 ARG A 86 -4.166 11.518 -5.379 1.00 11.32 N ATOM 1384 NH2 ARG A 86 -6.360 11.889 -5.858 1.00 60.13 N ATOM 0 H ARG A 86 -4.351 13.420 -0.757 1.00 63.11 H new ATOM 0 HA ARG A 86 -2.225 12.077 0.720 1.00 54.33 H new ATOM 0 HB2 ARG A 86 -2.412 10.412 -0.962 1.00 4.15 H new ATOM 0 HB3 ARG A 86 -3.971 10.817 -0.270 1.00 4.15 H new ATOM 0 HG2 ARG A 86 -4.018 12.450 -2.430 1.00 40.34 H new ATOM 0 HG3 ARG A 86 -2.956 11.201 -3.048 1.00 40.34 H new ATOM 0 HD2 ARG A 86 -4.626 9.543 -2.967 1.00 10.31 H new ATOM 0 HD3 ARG A 86 -5.586 10.416 -1.790 1.00 10.31 H new ATOM 0 HE ARG A 86 -6.790 11.186 -3.559 1.00 34.33 H new ATOM 0 HH11 ARG A 86 -3.434 11.222 -4.733 1.00 11.32 H new ATOM 0 HH12 ARG A 86 -3.921 11.830 -6.319 1.00 11.32 H new ATOM 0 HH21 ARG A 86 -7.344 11.883 -5.588 1.00 60.13 H new ATOM 0 HH22 ARG A 86 -6.089 12.196 -6.792 1.00 60.13 H new ATOM 1398 N VAL A 87 -0.207 12.210 -0.965 1.00 25.20 N ATOM 1399 CA VAL A 87 1.090 12.602 -1.529 1.00 22.54 C ATOM 1400 C VAL A 87 1.622 11.490 -2.428 1.00 23.13 C ATOM 1401 O VAL A 87 1.227 10.329 -2.292 1.00 31.13 O ATOM 1402 CB VAL A 87 2.103 12.957 -0.416 1.00 72.33 C ATOM 1403 CG1 VAL A 87 1.708 14.251 0.307 1.00 61.21 C ATOM 1404 CG2 VAL A 87 2.290 11.827 0.609 1.00 22.10 C ATOM 0 H VAL A 87 -0.224 11.245 -0.636 1.00 25.20 H new ATOM 0 HA VAL A 87 0.949 13.499 -2.132 1.00 22.54 H new ATOM 0 HB VAL A 87 3.058 13.103 -0.921 1.00 72.33 H new ATOM 0 HG11 VAL A 87 2.441 14.472 1.083 1.00 61.21 H new ATOM 0 HG12 VAL A 87 1.678 15.073 -0.408 1.00 61.21 H new ATOM 0 HG13 VAL A 87 0.724 14.129 0.761 1.00 61.21 H new ATOM 0 HG21 VAL A 87 3.013 12.137 1.364 1.00 22.10 H new ATOM 0 HG22 VAL A 87 1.336 11.609 1.088 1.00 22.10 H new ATOM 0 HG23 VAL A 87 2.655 10.933 0.103 1.00 22.10 H new ATOM 1414 N ASP A 88 2.436 11.870 -3.407 1.00 1.13 N ATOM 1415 CA ASP A 88 3.099 10.996 -4.376 1.00 24.34 C ATOM 1416 C ASP A 88 4.540 10.739 -3.892 1.00 73.00 C ATOM 1417 O ASP A 88 4.967 11.325 -2.892 1.00 34.35 O ATOM 1418 CB ASP A 88 2.969 11.674 -5.748 1.00 25.45 C ATOM 1419 CG ASP A 88 3.394 10.881 -6.971 1.00 3.30 C ATOM 1420 OD1 ASP A 88 3.200 11.440 -8.076 1.00 71.44 O ATOM 1421 OD2 ASP A 88 3.822 9.722 -6.828 1.00 11.44 O ATOM 0 H ASP A 88 2.666 12.852 -3.557 1.00 1.13 H new ATOM 0 HA ASP A 88 2.649 10.008 -4.470 1.00 24.34 H new ATOM 0 HB2 ASP A 88 1.927 11.963 -5.882 1.00 25.45 H new ATOM 0 HB3 ASP A 88 3.554 12.593 -5.724 1.00 25.45 H new ATOM 1426 N ILE A 89 5.313 9.878 -4.556 1.00 64.14 N ATOM 1427 CA ILE A 89 6.702 9.575 -4.186 1.00 14.50 C ATOM 1428 C ILE A 89 7.569 10.833 -4.224 1.00 55.24 C ATOM 1429 O ILE A 89 8.514 10.942 -3.456 1.00 31.30 O ATOM 1430 CB ILE A 89 7.326 8.490 -5.090 1.00 2.02 C ATOM 1431 CG1 ILE A 89 7.051 8.721 -6.587 1.00 32.04 C ATOM 1432 CG2 ILE A 89 6.806 7.109 -4.697 1.00 22.34 C ATOM 1433 CD1 ILE A 89 8.162 8.184 -7.485 1.00 44.02 C ATOM 0 H ILE A 89 4.991 9.364 -5.376 1.00 64.14 H new ATOM 0 HA ILE A 89 6.671 9.189 -3.167 1.00 14.50 H new ATOM 0 HB ILE A 89 8.404 8.550 -4.939 1.00 2.02 H new ATOM 0 HG12 ILE A 89 6.110 8.242 -6.856 1.00 32.04 H new ATOM 0 HG13 ILE A 89 6.929 9.789 -6.768 1.00 32.04 H new ATOM 0 HG21 ILE A 89 7.254 6.354 -5.343 1.00 22.34 H new ATOM 0 HG22 ILE A 89 7.070 6.902 -3.660 1.00 22.34 H new ATOM 0 HG23 ILE A 89 5.722 7.083 -4.808 1.00 22.34 H new ATOM 0 HD11 ILE A 89 7.911 8.376 -8.528 1.00 44.02 H new ATOM 0 HD12 ILE A 89 9.100 8.681 -7.240 1.00 44.02 H new ATOM 0 HD13 ILE A 89 8.269 7.110 -7.329 1.00 44.02 H new ATOM 1445 N TYR A 90 7.220 11.818 -5.049 1.00 53.52 N ATOM 1446 CA TYR A 90 7.976 13.054 -5.165 1.00 50.12 C ATOM 1447 C TYR A 90 7.622 14.013 -4.009 1.00 43.02 C ATOM 1448 O TYR A 90 8.073 15.161 -3.996 1.00 22.01 O ATOM 1449 CB TYR A 90 7.682 13.632 -6.557 1.00 13.35 C ATOM 1450 CG TYR A 90 8.248 12.811 -7.707 1.00 44.05 C ATOM 1451 CD1 TYR A 90 7.484 11.795 -8.317 1.00 13.55 C ATOM 1452 CD2 TYR A 90 9.556 13.056 -8.170 1.00 11.35 C ATOM 1453 CE1 TYR A 90 8.022 11.024 -9.361 1.00 44.53 C ATOM 1454 CE2 TYR A 90 10.104 12.284 -9.210 1.00 13.12 C ATOM 1455 CZ TYR A 90 9.344 11.251 -9.800 1.00 23.41 C ATOM 1456 OH TYR A 90 9.893 10.495 -10.789 1.00 2.23 O ATOM 0 H TYR A 90 6.401 11.777 -5.656 1.00 53.52 H new ATOM 0 HA TYR A 90 9.049 12.886 -5.077 1.00 50.12 H new ATOM 0 HB2 TYR A 90 6.602 13.716 -6.682 1.00 13.35 H new ATOM 0 HB3 TYR A 90 8.089 14.642 -6.612 1.00 13.35 H new ATOM 0 HD1 TYR A 90 6.476 11.608 -7.978 1.00 13.55 H new ATOM 0 HD2 TYR A 90 10.143 13.844 -7.722 1.00 11.35 H new ATOM 0 HE1 TYR A 90 7.423 10.256 -9.828 1.00 44.53 H new ATOM 0 HE2 TYR A 90 11.107 12.482 -9.558 1.00 13.12 H new ATOM 0 HH TYR A 90 10.810 10.795 -10.960 1.00 2.23 H new ATOM 1466 N GLY A 91 6.781 13.586 -3.056 1.00 1.20 N ATOM 1467 CA GLY A 91 6.372 14.373 -1.904 1.00 70.13 C ATOM 1468 C GLY A 91 5.350 15.436 -2.275 1.00 14.44 C ATOM 1469 O GLY A 91 4.843 16.114 -1.383 1.00 12.03 O ATOM 0 H GLY A 91 6.360 12.657 -3.074 1.00 1.20 H new ATOM 0 HA2 GLY A 91 5.950 13.714 -1.146 1.00 70.13 H new ATOM 0 HA3 GLY A 91 7.247 14.850 -1.461 1.00 70.13 H new ATOM 1473 N ASN A 92 5.026 15.582 -3.565 1.00 22.12 N ATOM 1474 CA ASN A 92 4.083 16.559 -4.059 1.00 3.32 C ATOM 1475 C ASN A 92 2.714 16.247 -3.506 1.00 20.04 C ATOM 1476 O ASN A 92 2.297 15.084 -3.495 1.00 62.41 O ATOM 1477 CB ASN A 92 3.962 16.540 -5.590 1.00 51.14 C ATOM 1478 CG ASN A 92 5.276 16.503 -6.349 1.00 24.41 C ATOM 1479 OD1 ASN A 92 6.278 17.079 -5.939 1.00 44.10 O ATOM 1480 ND2 ASN A 92 5.314 15.786 -7.454 1.00 32.41 N ATOM 0 H ASN A 92 5.429 15.004 -4.302 1.00 22.12 H new ATOM 0 HA ASN A 92 4.447 17.537 -3.744 1.00 3.32 H new ATOM 0 HB2 ASN A 92 3.371 15.671 -5.880 1.00 51.14 H new ATOM 0 HB3 ASN A 92 3.406 17.423 -5.904 1.00 51.14 H new ATOM 0 HD21 ASN A 92 6.184 15.705 -7.980 1.00 32.41 H new ATOM 0 HD22 ASN A 92 4.473 15.312 -7.784 1.00 32.41 H new ATOM 1487 N GLU A 93 2.032 17.286 -3.048 1.00 12.12 N ATOM 1488 CA GLU A 93 0.699 17.165 -2.529 1.00 24.34 C ATOM 1489 C GLU A 93 -0.200 16.937 -3.739 1.00 34.41 C ATOM 1490 O GLU A 93 -0.035 17.558 -4.792 1.00 12.25 O ATOM 1491 CB GLU A 93 0.342 18.460 -1.804 1.00 53.45 C ATOM 1492 CG GLU A 93 0.736 18.428 -0.320 1.00 44.32 C ATOM 1493 CD GLU A 93 0.830 19.823 0.312 1.00 23.31 C ATOM 1494 OE1 GLU A 93 0.345 20.813 -0.286 1.00 64.14 O ATOM 1495 OE2 GLU A 93 1.451 19.950 1.392 1.00 60.32 O ATOM 0 H GLU A 93 2.399 18.237 -3.031 1.00 12.12 H new ATOM 0 HA GLU A 93 0.589 16.346 -1.818 1.00 24.34 H new ATOM 0 HB2 GLU A 93 0.843 19.296 -2.292 1.00 53.45 H new ATOM 0 HB3 GLU A 93 -0.730 18.637 -1.889 1.00 53.45 H new ATOM 0 HG2 GLU A 93 0.005 17.836 0.230 1.00 44.32 H new ATOM 0 HG3 GLU A 93 1.697 17.924 -0.217 1.00 44.32 H new ATOM 1502 N VAL A 94 -1.143 16.033 -3.581 1.00 75.03 N ATOM 1503 CA VAL A 94 -2.149 15.601 -4.537 1.00 2.13 C ATOM 1504 C VAL A 94 -3.529 15.901 -3.939 1.00 25.50 C ATOM 1505 O VAL A 94 -3.619 16.440 -2.833 1.00 2.32 O ATOM 1506 CB VAL A 94 -1.843 14.252 -5.207 1.00 52.51 C ATOM 1507 CG1 VAL A 94 -0.688 14.385 -6.209 1.00 31.31 C ATOM 1508 CG2 VAL A 94 -1.467 13.168 -4.215 1.00 2.24 C ATOM 0 H VAL A 94 -1.236 15.533 -2.697 1.00 75.03 H new ATOM 0 HA VAL A 94 -2.136 16.181 -5.460 1.00 2.13 H new ATOM 0 HB VAL A 94 -2.766 13.964 -5.710 1.00 52.51 H new ATOM 0 HG11 VAL A 94 -0.492 13.416 -6.669 1.00 31.31 H new ATOM 0 HG12 VAL A 94 -0.957 15.105 -6.981 1.00 31.31 H new ATOM 0 HG13 VAL A 94 0.207 14.728 -5.689 1.00 31.31 H new ATOM 0 HG21 VAL A 94 -1.263 12.240 -4.750 1.00 2.24 H new ATOM 0 HG22 VAL A 94 -0.577 13.472 -3.663 1.00 2.24 H new ATOM 0 HG23 VAL A 94 -2.290 13.011 -3.518 1.00 2.24 H new ATOM 1518 N ASP A 95 -4.613 15.546 -4.624 1.00 32.15 N ATOM 1519 CA ASP A 95 -5.954 15.901 -4.177 1.00 45.35 C ATOM 1520 C ASP A 95 -6.397 15.026 -3.000 1.00 35.04 C ATOM 1521 O ASP A 95 -5.649 14.182 -2.498 1.00 21.20 O ATOM 1522 CB ASP A 95 -6.966 15.659 -5.328 1.00 75.44 C ATOM 1523 CG ASP A 95 -6.468 15.764 -6.773 1.00 1.30 C ATOM 1524 OD1 ASP A 95 -7.021 16.588 -7.535 1.00 42.33 O ATOM 1525 OD2 ASP A 95 -5.630 14.924 -7.189 1.00 60.40 O ATOM 0 H ASP A 95 -4.587 15.012 -5.492 1.00 32.15 H new ATOM 0 HA ASP A 95 -5.931 16.948 -3.875 1.00 45.35 H new ATOM 0 HB2 ASP A 95 -7.388 14.663 -5.194 1.00 75.44 H new ATOM 0 HB3 ASP A 95 -7.783 16.370 -5.206 1.00 75.44 H new ATOM 1530 N VAL A 96 -7.649 15.169 -2.562 1.00 11.24 N ATOM 1531 CA VAL A 96 -8.141 14.454 -1.394 1.00 0.31 C ATOM 1532 C VAL A 96 -9.161 13.395 -1.776 1.00 14.23 C ATOM 1533 O VAL A 96 -9.775 13.434 -2.844 1.00 53.23 O ATOM 1534 CB VAL A 96 -8.733 15.484 -0.397 1.00 75.44 C ATOM 1535 CG1 VAL A 96 -7.877 16.749 -0.224 1.00 31.40 C ATOM 1536 CG2 VAL A 96 -10.134 15.971 -0.774 1.00 73.23 C ATOM 0 H VAL A 96 -8.339 15.777 -3.004 1.00 11.24 H new ATOM 0 HA VAL A 96 -7.315 13.925 -0.919 1.00 0.31 H new ATOM 0 HB VAL A 96 -8.761 14.914 0.531 1.00 75.44 H new ATOM 0 HG11 VAL A 96 -8.358 17.419 0.488 1.00 31.40 H new ATOM 0 HG12 VAL A 96 -6.890 16.473 0.147 1.00 31.40 H new ATOM 0 HG13 VAL A 96 -7.775 17.253 -1.185 1.00 31.40 H new ATOM 0 HG21 VAL A 96 -10.482 16.688 -0.031 1.00 73.23 H new ATOM 0 HG22 VAL A 96 -10.102 16.449 -1.753 1.00 73.23 H new ATOM 0 HG23 VAL A 96 -10.817 15.123 -0.807 1.00 73.23 H new ATOM 1546 N VAL A 97 -9.267 12.389 -0.911 1.00 61.15 N ATOM 1547 CA VAL A 97 -10.191 11.282 -1.113 1.00 61.11 C ATOM 1548 C VAL A 97 -11.598 11.856 -0.935 1.00 2.12 C ATOM 1549 O VAL A 97 -11.835 12.592 0.026 1.00 2.51 O ATOM 1550 CB VAL A 97 -9.879 10.121 -0.141 1.00 50.21 C ATOM 1551 CG1 VAL A 97 -10.709 8.878 -0.492 1.00 62.44 C ATOM 1552 CG2 VAL A 97 -8.390 9.725 -0.180 1.00 43.41 C ATOM 0 H VAL A 97 -8.716 12.321 -0.055 1.00 61.15 H new ATOM 0 HA VAL A 97 -10.097 10.849 -2.109 1.00 61.11 H new ATOM 0 HB VAL A 97 -10.132 10.478 0.857 1.00 50.21 H new ATOM 0 HG11 VAL A 97 -10.473 8.074 0.205 1.00 62.44 H new ATOM 0 HG12 VAL A 97 -11.770 9.118 -0.423 1.00 62.44 H new ATOM 0 HG13 VAL A 97 -10.474 8.558 -1.507 1.00 62.44 H new ATOM 0 HG21 VAL A 97 -8.213 8.906 0.517 1.00 43.41 H new ATOM 0 HG22 VAL A 97 -8.124 9.407 -1.188 1.00 43.41 H new ATOM 0 HG23 VAL A 97 -7.778 10.581 0.103 1.00 43.41 H new ATOM 1562 N THR A 98 -12.491 11.587 -1.885 1.00 72.31 N ATOM 1563 CA THR A 98 -13.870 12.050 -1.856 1.00 41.20 C ATOM 1564 C THR A 98 -14.611 11.370 -0.691 1.00 31.24 C ATOM 1565 O THR A 98 -14.276 10.239 -0.325 1.00 15.14 O ATOM 1566 CB THR A 98 -14.522 11.774 -3.229 1.00 60.42 C ATOM 1567 OG1 THR A 98 -13.964 10.628 -3.845 1.00 50.11 O ATOM 1568 CG2 THR A 98 -14.295 12.943 -4.187 1.00 30.34 C ATOM 0 H THR A 98 -12.269 11.030 -2.710 1.00 72.31 H new ATOM 0 HA THR A 98 -13.921 13.125 -1.682 1.00 41.20 H new ATOM 0 HB THR A 98 -15.585 11.626 -3.038 1.00 60.42 H new ATOM 0 HG1 THR A 98 -14.398 10.478 -4.711 1.00 50.11 H new ATOM 0 HG21 THR A 98 -14.764 12.724 -5.146 1.00 30.34 H new ATOM 0 HG22 THR A 98 -14.734 13.848 -3.767 1.00 30.34 H new ATOM 0 HG23 THR A 98 -13.225 13.092 -4.332 1.00 30.34 H new ATOM 1576 N PRO A 99 -15.663 11.995 -0.132 1.00 25.23 N ATOM 1577 CA PRO A 99 -16.413 11.443 0.991 1.00 43.54 C ATOM 1578 C PRO A 99 -17.027 10.075 0.725 1.00 42.21 C ATOM 1579 O PRO A 99 -17.013 9.241 1.634 1.00 33.21 O ATOM 1580 CB PRO A 99 -17.447 12.502 1.383 1.00 23.13 C ATOM 1581 CG PRO A 99 -17.570 13.366 0.132 1.00 4.22 C ATOM 1582 CD PRO A 99 -16.167 13.314 -0.465 1.00 0.43 C ATOM 0 HA PRO A 99 -15.734 11.237 1.819 1.00 43.54 H new ATOM 0 HB2 PRO A 99 -18.401 12.050 1.653 1.00 23.13 H new ATOM 0 HB3 PRO A 99 -17.117 13.086 2.242 1.00 23.13 H new ATOM 0 HG2 PRO A 99 -18.316 12.972 -0.558 1.00 4.22 H new ATOM 0 HG3 PRO A 99 -17.867 14.386 0.375 1.00 4.22 H new ATOM 0 HD2 PRO A 99 -16.192 13.466 -1.544 1.00 0.43 H new ATOM 0 HD3 PRO A 99 -15.532 14.096 -0.048 1.00 0.43 H new ATOM 1590 N GLU A 100 -17.540 9.841 -0.484 1.00 42.41 N ATOM 1591 CA GLU A 100 -18.148 8.573 -0.860 1.00 34.34 C ATOM 1592 C GLU A 100 -17.075 7.501 -1.056 1.00 62.33 C ATOM 1593 O GLU A 100 -17.210 6.387 -0.554 1.00 34.31 O ATOM 1594 CB GLU A 100 -19.006 8.743 -2.118 1.00 64.00 C ATOM 1595 CG GLU A 100 -20.215 9.655 -1.852 1.00 41.51 C ATOM 1596 CD GLU A 100 -21.437 9.234 -2.669 1.00 4.51 C ATOM 1597 OE1 GLU A 100 -21.688 9.799 -3.757 1.00 73.40 O ATOM 1598 OE2 GLU A 100 -22.155 8.311 -2.235 1.00 31.13 O ATOM 0 H GLU A 100 -17.543 10.534 -1.232 1.00 42.41 H new ATOM 0 HA GLU A 100 -18.802 8.244 -0.052 1.00 34.34 H new ATOM 0 HB2 GLU A 100 -18.400 9.164 -2.920 1.00 64.00 H new ATOM 0 HB3 GLU A 100 -19.352 7.767 -2.459 1.00 64.00 H new ATOM 0 HG2 GLU A 100 -20.462 9.630 -0.791 1.00 41.51 H new ATOM 0 HG3 GLU A 100 -19.953 10.685 -2.095 1.00 41.51 H new ATOM 1605 N GLN A 101 -15.976 7.823 -1.745 1.00 32.45 N ATOM 1606 CA GLN A 101 -14.925 6.839 -1.963 1.00 72.43 C ATOM 1607 C GLN A 101 -14.228 6.476 -0.651 1.00 15.40 C ATOM 1608 O GLN A 101 -13.835 5.317 -0.486 1.00 1.42 O ATOM 1609 CB GLN A 101 -13.908 7.319 -2.993 1.00 43.33 C ATOM 1610 CG GLN A 101 -14.542 7.537 -4.376 1.00 3.55 C ATOM 1611 CD GLN A 101 -13.514 7.905 -5.442 1.00 3.21 C ATOM 1612 OE1 GLN A 101 -12.307 7.851 -5.214 1.00 14.22 O ATOM 1613 NE2 GLN A 101 -13.948 8.286 -6.629 1.00 34.15 N ATOM 0 H GLN A 101 -15.797 8.741 -2.152 1.00 32.45 H new ATOM 0 HA GLN A 101 -15.402 5.942 -2.358 1.00 72.43 H new ATOM 0 HB2 GLN A 101 -13.458 8.251 -2.650 1.00 43.33 H new ATOM 0 HB3 GLN A 101 -13.104 6.588 -3.075 1.00 43.33 H new ATOM 0 HG2 GLN A 101 -15.065 6.630 -4.679 1.00 3.55 H new ATOM 0 HG3 GLN A 101 -15.289 8.328 -4.308 1.00 3.55 H new ATOM 0 HE21 GLN A 101 -14.950 8.330 -6.816 1.00 34.15 H new ATOM 0 HE22 GLN A 101 -13.282 8.536 -7.359 1.00 34.15 H new ATOM 1622 N ALA A 102 -14.093 7.420 0.288 1.00 71.32 N ATOM 1623 CA ALA A 102 -13.448 7.136 1.560 1.00 64.11 C ATOM 1624 C ALA A 102 -14.285 6.109 2.328 1.00 1.42 C ATOM 1625 O ALA A 102 -13.763 5.056 2.689 1.00 2.34 O ATOM 1626 CB ALA A 102 -13.281 8.439 2.362 1.00 62.33 C ATOM 0 H ALA A 102 -14.422 8.380 0.185 1.00 71.32 H new ATOM 0 HA ALA A 102 -12.455 6.718 1.393 1.00 64.11 H new ATOM 0 HB1 ALA A 102 -12.797 8.221 3.314 1.00 62.33 H new ATOM 0 HB2 ALA A 102 -12.667 9.139 1.795 1.00 62.33 H new ATOM 0 HB3 ALA A 102 -14.260 8.881 2.545 1.00 62.33 H new ATOM 1632 N LYS A 103 -15.597 6.336 2.480 1.00 52.30 N ATOM 1633 CA LYS A 103 -16.490 5.423 3.209 1.00 72.12 C ATOM 1634 C LYS A 103 -16.573 4.050 2.544 1.00 65.32 C ATOM 1635 O LYS A 103 -16.791 3.063 3.242 1.00 25.43 O ATOM 1636 CB LYS A 103 -17.885 6.040 3.449 1.00 52.02 C ATOM 1637 CG LYS A 103 -18.700 6.248 2.169 1.00 65.44 C ATOM 1638 CD LYS A 103 -20.150 6.686 2.382 1.00 20.40 C ATOM 1639 CE LYS A 103 -20.275 8.154 2.791 1.00 74.55 C ATOM 1640 NZ LYS A 103 -21.689 8.579 2.817 1.00 62.34 N ATOM 0 H LYS A 103 -16.069 7.157 2.102 1.00 52.30 H new ATOM 0 HA LYS A 103 -16.046 5.269 4.192 1.00 72.12 H new ATOM 0 HB2 LYS A 103 -18.446 5.394 4.124 1.00 52.02 H new ATOM 0 HB3 LYS A 103 -17.765 7.000 3.952 1.00 52.02 H new ATOM 0 HG2 LYS A 103 -18.198 6.996 1.556 1.00 65.44 H new ATOM 0 HG3 LYS A 103 -18.698 5.317 1.601 1.00 65.44 H new ATOM 0 HD2 LYS A 103 -20.713 6.521 1.463 1.00 20.40 H new ATOM 0 HD3 LYS A 103 -20.604 6.060 3.150 1.00 20.40 H new ATOM 0 HE2 LYS A 103 -19.830 8.300 3.775 1.00 74.55 H new ATOM 0 HE3 LYS A 103 -19.717 8.778 2.093 1.00 74.55 H new ATOM 0 HZ1 LYS A 103 -21.746 9.579 3.097 1.00 62.34 H new ATOM 0 HZ2 LYS A 103 -22.105 8.461 1.871 1.00 62.34 H new ATOM 0 HZ3 LYS A 103 -22.214 7.997 3.501 1.00 62.34 H new ATOM 1654 N TYR A 104 -16.402 3.978 1.223 1.00 55.51 N ATOM 1655 CA TYR A 104 -16.421 2.764 0.417 1.00 30.12 C ATOM 1656 C TYR A 104 -15.423 1.726 0.923 1.00 40.25 C ATOM 1657 O TYR A 104 -15.630 0.527 0.720 1.00 60.24 O ATOM 1658 CB TYR A 104 -16.162 3.092 -1.065 1.00 41.52 C ATOM 1659 CG TYR A 104 -17.297 2.655 -1.958 1.00 52.42 C ATOM 1660 CD1 TYR A 104 -18.507 3.369 -1.922 1.00 3.12 C ATOM 1661 CD2 TYR A 104 -17.160 1.535 -2.796 1.00 50.03 C ATOM 1662 CE1 TYR A 104 -19.594 2.945 -2.698 1.00 35.54 C ATOM 1663 CE2 TYR A 104 -18.237 1.123 -3.601 1.00 65.24 C ATOM 1664 CZ TYR A 104 -19.465 1.822 -3.541 1.00 63.45 C ATOM 1665 OH TYR A 104 -20.533 1.393 -4.266 1.00 21.54 O ATOM 0 H TYR A 104 -16.238 4.812 0.660 1.00 55.51 H new ATOM 0 HA TYR A 104 -17.416 2.328 0.510 1.00 30.12 H new ATOM 0 HB2 TYR A 104 -16.009 4.166 -1.175 1.00 41.52 H new ATOM 0 HB3 TYR A 104 -15.242 2.604 -1.387 1.00 41.52 H new ATOM 0 HD1 TYR A 104 -18.599 4.244 -1.296 1.00 3.12 H new ATOM 0 HD2 TYR A 104 -16.228 0.991 -2.822 1.00 50.03 H new ATOM 0 HE1 TYR A 104 -20.532 3.479 -2.650 1.00 35.54 H new ATOM 0 HE2 TYR A 104 -18.127 0.276 -4.262 1.00 65.24 H new ATOM 0 HH TYR A 104 -20.276 0.609 -4.795 1.00 21.54 H new ATOM 1675 N ALA A 105 -14.337 2.170 1.565 1.00 62.23 N ATOM 1676 CA ALA A 105 -13.298 1.303 2.111 1.00 32.53 C ATOM 1677 C ALA A 105 -13.901 0.242 3.047 1.00 74.23 C ATOM 1678 O ALA A 105 -13.392 -0.872 3.112 1.00 23.55 O ATOM 1679 CB ALA A 105 -12.291 2.178 2.852 1.00 33.44 C ATOM 0 H ALA A 105 -14.156 3.162 1.720 1.00 62.23 H new ATOM 0 HA ALA A 105 -12.800 0.767 1.303 1.00 32.53 H new ATOM 0 HB1 ALA A 105 -11.503 1.552 3.270 1.00 33.44 H new ATOM 0 HB2 ALA A 105 -11.854 2.897 2.159 1.00 33.44 H new ATOM 0 HB3 ALA A 105 -12.796 2.712 3.657 1.00 33.44 H new ATOM 1685 N TYR A 106 -15.025 0.559 3.708 1.00 4.40 N ATOM 1686 CA TYR A 106 -15.713 -0.348 4.612 1.00 32.24 C ATOM 1687 C TYR A 106 -16.110 -1.664 3.937 1.00 5.41 C ATOM 1688 O TYR A 106 -16.103 -2.706 4.592 1.00 51.14 O ATOM 1689 CB TYR A 106 -16.915 0.365 5.254 1.00 50.13 C ATOM 1690 CG TYR A 106 -18.283 0.098 4.643 1.00 3.11 C ATOM 1691 CD1 TYR A 106 -18.597 0.498 3.326 1.00 51.22 C ATOM 1692 CD2 TYR A 106 -19.263 -0.542 5.426 1.00 44.52 C ATOM 1693 CE1 TYR A 106 -19.878 0.244 2.799 1.00 3.01 C ATOM 1694 CE2 TYR A 106 -20.548 -0.776 4.913 1.00 71.34 C ATOM 1695 CZ TYR A 106 -20.860 -0.393 3.589 1.00 1.14 C ATOM 1696 OH TYR A 106 -22.104 -0.588 3.085 1.00 35.42 O ATOM 0 H TYR A 106 -15.480 1.468 3.622 1.00 4.40 H new ATOM 0 HA TYR A 106 -15.017 -0.628 5.403 1.00 32.24 H new ATOM 0 HB2 TYR A 106 -16.953 0.084 6.306 1.00 50.13 H new ATOM 0 HB3 TYR A 106 -16.731 1.439 5.217 1.00 50.13 H new ATOM 0 HD1 TYR A 106 -17.855 0.999 2.722 1.00 51.22 H new ATOM 0 HD2 TYR A 106 -19.023 -0.856 6.431 1.00 44.52 H new ATOM 0 HE1 TYR A 106 -20.110 0.538 1.786 1.00 3.01 H new ATOM 0 HE2 TYR A 106 -21.298 -1.249 5.530 1.00 71.34 H new ATOM 0 HH TYR A 106 -22.661 -1.040 3.753 1.00 35.42 H new ATOM 1706 N GLN A 107 -16.435 -1.648 2.637 1.00 54.22 N ATOM 1707 CA GLN A 107 -16.805 -2.865 1.925 1.00 23.22 C ATOM 1708 C GLN A 107 -15.594 -3.790 1.869 1.00 70.22 C ATOM 1709 O GLN A 107 -15.694 -4.985 2.122 1.00 52.22 O ATOM 1710 CB GLN A 107 -17.292 -2.577 0.506 1.00 41.42 C ATOM 1711 CG GLN A 107 -18.729 -2.043 0.474 1.00 32.03 C ATOM 1712 CD GLN A 107 -19.411 -2.413 -0.838 1.00 24.34 C ATOM 1713 OE1 GLN A 107 -20.321 -3.242 -0.873 1.00 0.14 O ATOM 1714 NE2 GLN A 107 -18.953 -1.847 -1.941 1.00 23.41 N ATOM 0 H GLN A 107 -16.447 -0.804 2.064 1.00 54.22 H new ATOM 0 HA GLN A 107 -17.628 -3.335 2.463 1.00 23.22 H new ATOM 0 HB2 GLN A 107 -16.628 -1.851 0.038 1.00 41.42 H new ATOM 0 HB3 GLN A 107 -17.234 -3.490 -0.087 1.00 41.42 H new ATOM 0 HG2 GLN A 107 -19.294 -2.453 1.312 1.00 32.03 H new ATOM 0 HG3 GLN A 107 -18.723 -0.960 0.594 1.00 32.03 H new ATOM 0 HE21 GLN A 107 -18.198 -1.163 -1.888 1.00 23.41 H new ATOM 0 HE22 GLN A 107 -19.354 -2.094 -2.846 1.00 23.41 H new ATOM 1723 N ARG A 108 -14.432 -3.234 1.532 1.00 14.02 N ATOM 1724 CA ARG A 108 -13.189 -3.984 1.442 1.00 22.25 C ATOM 1725 C ARG A 108 -12.859 -4.563 2.819 1.00 50.51 C ATOM 1726 O ARG A 108 -12.418 -5.706 2.924 1.00 41.20 O ATOM 1727 CB ARG A 108 -12.064 -3.063 0.944 1.00 62.22 C ATOM 1728 CG ARG A 108 -12.405 -2.135 -0.235 1.00 72.21 C ATOM 1729 CD ARG A 108 -12.634 -2.912 -1.532 1.00 12.55 C ATOM 1730 NE ARG A 108 -12.838 -1.991 -2.665 1.00 32.04 N ATOM 1731 CZ ARG A 108 -12.310 -2.104 -3.889 1.00 12.30 C ATOM 1732 NH1 ARG A 108 -11.405 -3.035 -4.164 1.00 34.10 N ATOM 1733 NH2 ARG A 108 -12.695 -1.263 -4.842 1.00 33.23 N ATOM 0 H ARG A 108 -14.330 -2.243 1.313 1.00 14.02 H new ATOM 0 HA ARG A 108 -13.293 -4.804 0.732 1.00 22.25 H new ATOM 0 HB2 ARG A 108 -11.734 -2.445 1.779 1.00 62.22 H new ATOM 0 HB3 ARG A 108 -11.217 -3.685 0.654 1.00 62.22 H new ATOM 0 HG2 ARG A 108 -13.299 -1.559 0.005 1.00 72.21 H new ATOM 0 HG3 ARG A 108 -11.595 -1.420 -0.379 1.00 72.21 H new ATOM 0 HD2 ARG A 108 -11.778 -3.557 -1.731 1.00 12.55 H new ATOM 0 HD3 ARG A 108 -13.503 -3.561 -1.424 1.00 12.55 H new ATOM 0 HE ARG A 108 -13.443 -1.187 -2.499 1.00 32.04 H new ATOM 0 HH11 ARG A 108 -11.100 -3.681 -3.436 1.00 34.10 H new ATOM 0 HH12 ARG A 108 -11.014 -3.105 -5.104 1.00 34.10 H new ATOM 0 HH21 ARG A 108 -13.386 -0.541 -4.637 1.00 33.23 H new ATOM 0 HH22 ARG A 108 -12.300 -1.339 -5.779 1.00 33.23 H new ATOM 1747 N TYR A 109 -13.085 -3.798 3.889 1.00 12.22 N ATOM 1748 CA TYR A 109 -12.822 -4.250 5.245 1.00 54.14 C ATOM 1749 C TYR A 109 -13.738 -5.426 5.584 1.00 44.43 C ATOM 1750 O TYR A 109 -13.233 -6.485 5.950 1.00 45.14 O ATOM 1751 CB TYR A 109 -12.999 -3.078 6.213 1.00 32.30 C ATOM 1752 CG TYR A 109 -12.718 -3.420 7.658 1.00 44.43 C ATOM 1753 CD1 TYR A 109 -13.691 -4.086 8.429 1.00 35.15 C ATOM 1754 CD2 TYR A 109 -11.489 -3.054 8.235 1.00 32.51 C ATOM 1755 CE1 TYR A 109 -13.438 -4.375 9.779 1.00 32.14 C ATOM 1756 CE2 TYR A 109 -11.230 -3.356 9.579 1.00 5.34 C ATOM 1757 CZ TYR A 109 -12.202 -4.016 10.361 1.00 24.23 C ATOM 1758 OH TYR A 109 -11.971 -4.267 11.676 1.00 44.42 O ATOM 0 H TYR A 109 -13.455 -2.849 3.833 1.00 12.22 H new ATOM 0 HA TYR A 109 -11.795 -4.603 5.335 1.00 54.14 H new ATOM 0 HB2 TYR A 109 -12.338 -2.267 5.908 1.00 32.30 H new ATOM 0 HB3 TYR A 109 -14.020 -2.705 6.132 1.00 32.30 H new ATOM 0 HD1 TYR A 109 -14.631 -4.374 7.982 1.00 35.15 H new ATOM 0 HD2 TYR A 109 -10.745 -2.541 7.643 1.00 32.51 H new ATOM 0 HE1 TYR A 109 -14.190 -4.873 10.374 1.00 32.14 H new ATOM 0 HE2 TYR A 109 -10.282 -3.082 10.018 1.00 5.34 H new ATOM 0 HH TYR A 109 -11.072 -3.958 11.915 1.00 44.42 H new ATOM 1768 N GLN A 110 -15.060 -5.278 5.418 1.00 21.14 N ATOM 1769 CA GLN A 110 -16.021 -6.333 5.733 1.00 60.52 C ATOM 1770 C GLN A 110 -15.813 -7.577 4.868 1.00 14.24 C ATOM 1771 O GLN A 110 -16.167 -8.677 5.284 1.00 43.23 O ATOM 1772 CB GLN A 110 -17.485 -5.847 5.709 1.00 31.41 C ATOM 1773 CG GLN A 110 -18.045 -5.542 4.311 1.00 43.44 C ATOM 1774 CD GLN A 110 -19.456 -4.937 4.265 1.00 52.14 C ATOM 1775 OE1 GLN A 110 -20.291 -5.282 3.429 1.00 64.12 O ATOM 1776 NE2 GLN A 110 -19.766 -3.975 5.117 1.00 41.54 N ATOM 0 H GLN A 110 -15.488 -4.423 5.062 1.00 21.14 H new ATOM 0 HA GLN A 110 -15.820 -6.622 6.764 1.00 60.52 H new ATOM 0 HB2 GLN A 110 -18.112 -6.606 6.177 1.00 31.41 H new ATOM 0 HB3 GLN A 110 -17.564 -4.948 6.320 1.00 31.41 H new ATOM 0 HG2 GLN A 110 -17.361 -4.857 3.810 1.00 43.44 H new ATOM 0 HG3 GLN A 110 -18.049 -6.467 3.734 1.00 43.44 H new ATOM 0 HE21 GLN A 110 -19.087 -3.675 5.817 1.00 41.54 H new ATOM 0 HE22 GLN A 110 -20.684 -3.532 5.074 1.00 41.54 H new ATOM 1785 N GLU A 111 -15.307 -7.406 3.647 1.00 73.04 N ATOM 1786 CA GLU A 111 -15.064 -8.511 2.725 1.00 33.24 C ATOM 1787 C GLU A 111 -14.167 -9.569 3.375 1.00 3.15 C ATOM 1788 O GLU A 111 -14.407 -10.759 3.172 1.00 11.11 O ATOM 1789 CB GLU A 111 -14.485 -7.977 1.401 1.00 31.34 C ATOM 1790 CG GLU A 111 -15.585 -7.613 0.395 1.00 64.01 C ATOM 1791 CD GLU A 111 -15.903 -8.748 -0.580 1.00 55.01 C ATOM 1792 OE1 GLU A 111 -15.970 -8.479 -1.804 1.00 62.43 O ATOM 1793 OE2 GLU A 111 -16.133 -9.904 -0.143 1.00 3.02 O ATOM 0 H GLU A 111 -15.054 -6.493 3.270 1.00 73.04 H new ATOM 0 HA GLU A 111 -16.009 -9.002 2.491 1.00 33.24 H new ATOM 0 HB2 GLU A 111 -13.873 -7.098 1.602 1.00 31.34 H new ATOM 0 HB3 GLU A 111 -13.829 -8.729 0.963 1.00 31.34 H new ATOM 0 HG2 GLU A 111 -16.491 -7.343 0.938 1.00 64.01 H new ATOM 0 HG3 GLU A 111 -15.277 -6.733 -0.169 1.00 64.01 H new ATOM 1800 N ARG A 112 -13.111 -9.164 4.095 1.00 11.42 N ATOM 1801 CA ARG A 112 -12.211 -10.102 4.769 1.00 60.55 C ATOM 1802 C ARG A 112 -12.396 -10.155 6.283 1.00 61.25 C ATOM 1803 O ARG A 112 -12.520 -11.240 6.853 1.00 23.32 O ATOM 1804 CB ARG A 112 -10.753 -9.804 4.396 1.00 71.05 C ATOM 1805 CG ARG A 112 -10.496 -9.946 2.881 1.00 11.11 C ATOM 1806 CD ARG A 112 -9.209 -10.714 2.557 1.00 24.24 C ATOM 1807 NE ARG A 112 -9.356 -12.149 2.861 1.00 34.23 N ATOM 1808 CZ ARG A 112 -8.676 -13.164 2.318 1.00 24.33 C ATOM 1809 NH1 ARG A 112 -7.715 -12.951 1.424 1.00 53.32 N ATOM 1810 NH2 ARG A 112 -8.994 -14.401 2.678 1.00 22.11 N ATOM 0 H ARG A 112 -12.861 -8.184 4.224 1.00 11.42 H new ATOM 0 HA ARG A 112 -12.478 -11.096 4.410 1.00 60.55 H new ATOM 0 HB2 ARG A 112 -10.499 -8.792 4.712 1.00 71.05 H new ATOM 0 HB3 ARG A 112 -10.095 -10.483 4.939 1.00 71.05 H new ATOM 0 HG2 ARG A 112 -11.342 -10.457 2.422 1.00 11.11 H new ATOM 0 HG3 ARG A 112 -10.442 -8.954 2.433 1.00 11.11 H new ATOM 0 HD2 ARG A 112 -8.961 -10.586 1.503 1.00 24.24 H new ATOM 0 HD3 ARG A 112 -8.381 -10.300 3.132 1.00 24.24 H new ATOM 0 HE ARG A 112 -10.054 -12.395 3.563 1.00 34.23 H new ATOM 0 HH11 ARG A 112 -7.484 -11.999 1.140 1.00 53.32 H new ATOM 0 HH12 ARG A 112 -7.208 -13.740 1.022 1.00 53.32 H new ATOM 0 HH21 ARG A 112 -9.741 -14.559 3.354 1.00 22.11 H new ATOM 0 HH22 ARG A 112 -8.491 -15.194 2.279 1.00 22.11 H new ATOM 1824 N TYR A 113 -12.425 -8.991 6.929 1.00 54.51 N ATOM 1825 CA TYR A 113 -12.543 -8.799 8.374 1.00 50.10 C ATOM 1826 C TYR A 113 -13.980 -8.624 8.876 1.00 33.34 C ATOM 1827 O TYR A 113 -14.179 -8.085 9.968 1.00 53.11 O ATOM 1828 CB TYR A 113 -11.654 -7.608 8.785 1.00 12.34 C ATOM 1829 CG TYR A 113 -10.276 -7.601 8.144 1.00 41.25 C ATOM 1830 CD1 TYR A 113 -9.897 -6.539 7.298 1.00 64.31 C ATOM 1831 CD2 TYR A 113 -9.409 -8.696 8.325 1.00 31.32 C ATOM 1832 CE1 TYR A 113 -8.668 -6.581 6.615 1.00 33.42 C ATOM 1833 CE2 TYR A 113 -8.185 -8.752 7.638 1.00 1.23 C ATOM 1834 CZ TYR A 113 -7.820 -7.700 6.770 1.00 20.44 C ATOM 1835 OH TYR A 113 -6.662 -7.779 6.064 1.00 55.23 O ATOM 0 H TYR A 113 -12.363 -8.104 6.429 1.00 54.51 H new ATOM 0 HA TYR A 113 -12.202 -9.717 8.853 1.00 50.10 H new ATOM 0 HB2 TYR A 113 -12.166 -6.682 8.526 1.00 12.34 H new ATOM 0 HB3 TYR A 113 -11.537 -7.615 9.869 1.00 12.34 H new ATOM 0 HD1 TYR A 113 -10.553 -5.690 7.174 1.00 64.31 H new ATOM 0 HD2 TYR A 113 -9.686 -9.496 8.995 1.00 31.32 H new ATOM 0 HE1 TYR A 113 -8.374 -5.762 5.975 1.00 33.42 H new ATOM 0 HE2 TYR A 113 -7.526 -9.597 7.773 1.00 1.23 H new ATOM 0 HH TYR A 113 -6.197 -8.612 6.290 1.00 55.23 H new ATOM 1845 N GLY A 114 -14.982 -9.002 8.084 1.00 43.14 N ATOM 1846 CA GLY A 114 -16.391 -8.912 8.430 1.00 14.25 C ATOM 1847 C GLY A 114 -17.141 -10.100 7.837 1.00 12.54 C ATOM 1848 O GLY A 114 -16.530 -11.007 7.265 1.00 0.14 O ATOM 0 H GLY A 114 -14.825 -9.391 7.154 1.00 43.14 H new ATOM 0 HA2 GLY A 114 -16.509 -8.898 9.513 1.00 14.25 H new ATOM 0 HA3 GLY A 114 -16.810 -7.979 8.052 1.00 14.25 H new ATOM 1852 N ASN A 115 -18.464 -10.106 7.995 1.00 32.21 N ATOM 1853 CA ASN A 115 -19.362 -11.147 7.499 1.00 41.44 C ATOM 1854 C ASN A 115 -20.600 -10.439 6.971 1.00 4.00 C ATOM 1855 O ASN A 115 -21.549 -10.204 7.724 1.00 23.33 O ATOM 1856 CB ASN A 115 -19.708 -12.166 8.599 1.00 1.03 C ATOM 1857 CG ASN A 115 -18.595 -13.184 8.766 1.00 60.51 C ATOM 1858 OD1 ASN A 115 -17.608 -12.937 9.449 1.00 11.41 O ATOM 1859 ND2 ASN A 115 -18.683 -14.331 8.117 1.00 2.41 N ATOM 0 H ASN A 115 -18.956 -9.361 8.488 1.00 32.21 H new ATOM 0 HA ASN A 115 -18.886 -11.725 6.707 1.00 41.44 H new ATOM 0 HB2 ASN A 115 -19.875 -11.646 9.542 1.00 1.03 H new ATOM 0 HB3 ASN A 115 -20.638 -12.676 8.348 1.00 1.03 H new ATOM 0 HD21 ASN A 115 -17.928 -15.014 8.184 1.00 2.41 H new ATOM 0 HD22 ASN A 115 -19.506 -14.534 7.549 1.00 2.41 H new ATOM 1866 N LYS A 116 -20.560 -10.009 5.709 1.00 34.41 N ATOM 1867 CA LYS A 116 -21.616 -9.308 5.004 1.00 11.42 C ATOM 1868 C LYS A 116 -21.305 -9.389 3.505 1.00 42.12 C ATOM 1869 O LYS A 116 -20.136 -9.448 3.115 1.00 1.11 O ATOM 1870 CB LYS A 116 -21.564 -7.850 5.474 1.00 23.15 C ATOM 1871 CG LYS A 116 -22.717 -6.976 5.003 1.00 64.22 C ATOM 1872 CD LYS A 116 -24.039 -7.256 5.727 1.00 13.34 C ATOM 1873 CE LYS A 116 -25.101 -6.192 5.408 1.00 24.44 C ATOM 1874 NZ LYS A 116 -25.393 -6.073 3.966 1.00 1.02 N ATOM 0 H LYS A 116 -19.737 -10.153 5.123 1.00 34.41 H new ATOM 0 HA LYS A 116 -22.602 -9.732 5.193 1.00 11.42 H new ATOM 0 HB2 LYS A 116 -21.541 -7.837 6.564 1.00 23.15 H new ATOM 0 HB3 LYS A 116 -20.629 -7.407 5.130 1.00 23.15 H new ATOM 0 HG2 LYS A 116 -22.449 -5.929 5.146 1.00 64.22 H new ATOM 0 HG3 LYS A 116 -22.861 -7.125 3.933 1.00 64.22 H new ATOM 0 HD2 LYS A 116 -24.411 -8.239 5.438 1.00 13.34 H new ATOM 0 HD3 LYS A 116 -23.865 -7.285 6.803 1.00 13.34 H new ATOM 0 HE2 LYS A 116 -26.021 -6.436 5.939 1.00 24.44 H new ATOM 0 HE3 LYS A 116 -24.763 -5.227 5.784 1.00 24.44 H new ATOM 0 HZ1 LYS A 116 -26.175 -5.402 3.824 1.00 1.02 H new ATOM 0 HZ2 LYS A 116 -24.547 -5.730 3.468 1.00 1.02 H new ATOM 0 HZ3 LYS A 116 -25.663 -7.004 3.589 1.00 1.02 H new ATOM 1888 N LYS A 117 -22.337 -9.366 2.661 1.00 4.22 N ATOM 1889 CA LYS A 117 -22.224 -9.418 1.198 1.00 1.44 C ATOM 1890 C LYS A 117 -23.369 -8.649 0.564 1.00 24.20 C ATOM 1891 O LYS A 117 -24.462 -8.599 1.130 1.00 14.30 O ATOM 1892 CB LYS A 117 -22.277 -10.878 0.692 1.00 51.41 C ATOM 1893 CG LYS A 117 -22.136 -11.001 -0.839 1.00 51.10 C ATOM 1894 CD LYS A 117 -21.971 -12.445 -1.323 1.00 44.42 C ATOM 1895 CE LYS A 117 -21.719 -12.443 -2.837 1.00 63.20 C ATOM 1896 NZ LYS A 117 -21.406 -13.790 -3.355 1.00 44.34 N ATOM 0 H LYS A 117 -23.303 -9.309 2.983 1.00 4.22 H new ATOM 0 HA LYS A 117 -21.268 -8.974 0.920 1.00 1.44 H new ATOM 0 HB2 LYS A 117 -21.481 -11.449 1.170 1.00 51.41 H new ATOM 0 HB3 LYS A 117 -23.221 -11.327 1.000 1.00 51.41 H new ATOM 0 HG2 LYS A 117 -23.016 -10.565 -1.313 1.00 51.10 H new ATOM 0 HG3 LYS A 117 -21.276 -10.416 -1.165 1.00 51.10 H new ATOM 0 HD2 LYS A 117 -21.140 -12.922 -0.804 1.00 44.42 H new ATOM 0 HD3 LYS A 117 -22.865 -13.023 -1.092 1.00 44.42 H new ATOM 0 HE2 LYS A 117 -22.599 -12.055 -3.349 1.00 63.20 H new ATOM 0 HE3 LYS A 117 -20.894 -11.768 -3.065 1.00 63.20 H new ATOM 0 HZ1 LYS A 117 -21.244 -13.738 -4.381 1.00 44.34 H new ATOM 0 HZ2 LYS A 117 -20.551 -14.152 -2.887 1.00 44.34 H new ATOM 0 HZ3 LYS A 117 -22.203 -14.430 -3.162 1.00 44.34 H new ATOM 1910 N SER A 118 -23.125 -8.078 -0.608 1.00 31.43 N ATOM 1911 CA SER A 118 -24.089 -7.350 -1.399 1.00 30.02 C ATOM 1912 C SER A 118 -23.495 -7.330 -2.798 1.00 13.53 C ATOM 1913 O SER A 118 -22.553 -6.571 -3.038 1.00 14.24 O ATOM 1914 CB SER A 118 -24.330 -5.939 -0.856 1.00 40.04 C ATOM 1915 OG SER A 118 -25.461 -5.409 -1.513 1.00 4.10 O ATOM 0 H SER A 118 -22.205 -8.116 -1.047 1.00 31.43 H new ATOM 0 HA SER A 118 -25.072 -7.820 -1.379 1.00 30.02 H new ATOM 0 HB2 SER A 118 -24.493 -5.967 0.221 1.00 40.04 H new ATOM 0 HB3 SER A 118 -23.458 -5.309 -1.030 1.00 40.04 H new ATOM 0 HG SER A 118 -25.638 -4.504 -1.181 1.00 4.10 H new ATOM 1921 N GLN A 119 -23.974 -8.196 -3.691 1.00 61.02 N ATOM 1922 CA GLN A 119 -23.474 -8.259 -5.050 1.00 23.21 C ATOM 1923 C GLN A 119 -24.601 -8.681 -5.986 1.00 3.51 C ATOM 1924 O GLN A 119 -25.210 -9.740 -5.826 1.00 42.44 O ATOM 1925 CB GLN A 119 -22.287 -9.227 -5.103 1.00 23.33 C ATOM 1926 CG GLN A 119 -21.499 -9.049 -6.403 1.00 54.35 C ATOM 1927 CD GLN A 119 -20.297 -9.983 -6.467 1.00 70.10 C ATOM 1928 OE1 GLN A 119 -19.741 -10.395 -5.449 1.00 61.30 O ATOM 1929 NE2 GLN A 119 -19.841 -10.322 -7.660 1.00 11.13 N ATOM 0 H GLN A 119 -24.715 -8.867 -3.487 1.00 61.02 H new ATOM 0 HA GLN A 119 -23.124 -7.280 -5.377 1.00 23.21 H new ATOM 0 HB2 GLN A 119 -21.632 -9.054 -4.249 1.00 23.33 H new ATOM 0 HB3 GLN A 119 -22.645 -10.254 -5.027 1.00 23.33 H new ATOM 0 HG2 GLN A 119 -22.153 -9.239 -7.254 1.00 54.35 H new ATOM 0 HG3 GLN A 119 -21.162 -8.016 -6.485 1.00 54.35 H new ATOM 0 HE21 GLN A 119 -20.306 -9.978 -8.500 1.00 11.13 H new ATOM 0 HE22 GLN A 119 -19.024 -10.928 -7.741 1.00 11.13 H new ATOM 1938 N ASP A 120 -24.896 -7.846 -6.969 1.00 64.40 N ATOM 1939 CA ASP A 120 -25.920 -8.046 -7.982 1.00 70.50 C ATOM 1940 C ASP A 120 -25.429 -7.450 -9.286 1.00 43.34 C ATOM 1941 O ASP A 120 -24.602 -6.532 -9.286 1.00 15.21 O ATOM 1942 CB ASP A 120 -27.250 -7.386 -7.588 1.00 50.11 C ATOM 1943 CG ASP A 120 -27.389 -5.937 -8.063 1.00 24.31 C ATOM 1944 OD1 ASP A 120 -27.961 -5.736 -9.156 1.00 74.20 O ATOM 1945 OD2 ASP A 120 -26.911 -5.020 -7.353 1.00 11.34 O ATOM 0 H ASP A 120 -24.401 -6.962 -7.088 1.00 64.40 H new ATOM 0 HA ASP A 120 -26.101 -9.116 -8.085 1.00 70.50 H new ATOM 0 HB2 ASP A 120 -28.071 -7.973 -7.999 1.00 50.11 H new ATOM 0 HB3 ASP A 120 -27.350 -7.413 -6.503 1.00 50.11 H new ATOM 1950 N LEU A 121 -25.912 -8.013 -10.387 1.00 64.51 N ATOM 1951 CA LEU A 121 -25.612 -7.583 -11.736 1.00 40.30 C ATOM 1952 C LEU A 121 -26.852 -7.892 -12.573 1.00 31.41 C ATOM 1953 O LEU A 121 -27.681 -8.712 -12.154 1.00 60.21 O ATOM 1954 CB LEU A 121 -24.390 -8.306 -12.349 1.00 51.02 C ATOM 1955 CG LEU A 121 -23.026 -8.016 -11.688 1.00 64.13 C ATOM 1956 CD1 LEU A 121 -22.655 -9.044 -10.609 1.00 24.41 C ATOM 1957 CD2 LEU A 121 -21.900 -8.018 -12.729 1.00 54.51 C ATOM 0 H LEU A 121 -26.547 -8.811 -10.357 1.00 64.51 H new ATOM 0 HA LEU A 121 -25.361 -6.522 -11.723 1.00 40.30 H new ATOM 0 HB2 LEU A 121 -24.570 -9.380 -12.306 1.00 51.02 H new ATOM 0 HB3 LEU A 121 -24.325 -8.035 -13.403 1.00 51.02 H new ATOM 0 HG LEU A 121 -23.131 -7.035 -11.226 1.00 64.13 H new ATOM 0 HD11 LEU A 121 -21.686 -8.788 -10.180 1.00 24.41 H new ATOM 0 HD12 LEU A 121 -23.412 -9.038 -9.825 1.00 24.41 H new ATOM 0 HD13 LEU A 121 -22.603 -10.037 -11.055 1.00 24.41 H new ATOM 0 HD21 LEU A 121 -20.949 -7.811 -12.237 1.00 54.51 H new ATOM 0 HD22 LEU A 121 -21.854 -8.994 -13.213 1.00 54.51 H new ATOM 0 HD23 LEU A 121 -22.096 -7.251 -13.478 1.00 54.51 H new ATOM 1969 N LYS A 122 -27.013 -7.236 -13.721 1.00 33.22 N ATOM 1970 CA LYS A 122 -28.148 -7.469 -14.606 1.00 4.23 C ATOM 1971 C LYS A 122 -27.810 -8.660 -15.482 1.00 63.02 C ATOM 1972 O LYS A 122 -26.699 -8.673 -16.056 1.00 33.13 O ATOM 1973 CB LYS A 122 -28.456 -6.217 -15.431 1.00 32.10 C ATOM 1974 CG LYS A 122 -29.808 -6.342 -16.155 1.00 2.31 C ATOM 1975 CD LYS A 122 -29.946 -5.338 -17.306 1.00 44.51 C ATOM 1976 CE LYS A 122 -29.047 -5.679 -18.506 1.00 2.45 C ATOM 1977 NZ LYS A 122 -29.482 -6.899 -19.222 1.00 2.43 N ATOM 0 H LYS A 122 -26.361 -6.530 -14.061 1.00 33.22 H new ATOM 0 HA LYS A 122 -29.049 -7.686 -14.032 1.00 4.23 H new ATOM 0 HB2 LYS A 122 -28.470 -5.344 -14.779 1.00 32.10 H new ATOM 0 HB3 LYS A 122 -27.663 -6.057 -16.162 1.00 32.10 H new ATOM 0 HG2 LYS A 122 -29.917 -7.354 -16.544 1.00 2.31 H new ATOM 0 HG3 LYS A 122 -30.616 -6.186 -15.441 1.00 2.31 H new ATOM 0 HD2 LYS A 122 -30.985 -5.308 -17.633 1.00 44.51 H new ATOM 0 HD3 LYS A 122 -29.697 -4.341 -16.944 1.00 44.51 H new ATOM 0 HE2 LYS A 122 -29.042 -4.839 -19.200 1.00 2.45 H new ATOM 0 HE3 LYS A 122 -28.022 -5.813 -18.160 1.00 2.45 H new ATOM 0 HZ1 LYS A 122 -28.904 -7.024 -20.078 1.00 2.43 H new ATOM 0 HZ2 LYS A 122 -29.366 -7.726 -18.602 1.00 2.43 H new ATOM 0 HZ3 LYS A 122 -30.482 -6.806 -19.490 1.00 2.43 H new TER 1991 LYS A 122