USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 LYS NZ :NH3+ 157:sc= 0.00549 (180deg=0) USER MOD Set 1.2: A 19 GLN : amide:sc= 0.00481 X(o=0.01,f=0) USER MOD Set 2.1: A 18 CYS SG : rot 97:sc= -0.448 USER MOD Set 2.2: A 67 CYS SG : rot 80:sc= 0.969 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0346) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0736 K(o=-0.074,f=-1.9!) USER MOD Single : A 16 THR OG1 : rot 79:sc= 1.14 USER MOD Single : A 24 SER OG : rot 54:sc= 1.19 USER MOD Single : A 28 CYS SG : rot 180:sc= 0.031 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.736 K(o=-0.74,f=-0.12) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.735 X(o=-0.73,f=-1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.338 K(o=-0.34,f=-2.3!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= -0.0171 X(o=-0.017,f=-0.36) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.00069) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.090 -0.602 -3.689 1.00 32.34 N ATOM 2 CA MET A 1 2.732 -0.193 -2.335 1.00 40.15 C ATOM 3 C MET A 1 3.514 1.049 -1.919 1.00 33.14 C ATOM 4 O MET A 1 4.743 1.036 -1.878 1.00 21.42 O ATOM 5 CB MET A 1 2.997 -1.331 -1.348 1.00 74.44 C ATOM 6 CG MET A 1 2.002 -2.475 -1.459 1.00 73.44 C ATOM 7 SD MET A 1 2.374 -3.831 -0.331 1.00 33.34 S ATOM 8 CE MET A 1 1.014 -3.691 0.827 1.00 2.41 C ATOM 0 H1 MET A 1 2.453 -1.362 -4.002 1.00 32.34 H new ATOM 0 H2 MET A 1 3.001 0.211 -4.332 1.00 32.34 H new ATOM 0 H3 MET A 1 4.071 -0.946 -3.700 1.00 32.34 H new ATOM 0 HA MET A 1 1.669 0.047 -2.324 1.00 40.15 H new ATOM 0 HB2 MET A 1 4.003 -1.718 -1.513 1.00 74.44 H new ATOM 0 HB3 MET A 1 2.971 -0.934 -0.333 1.00 74.44 H new ATOM 0 HG2 MET A 1 0.999 -2.101 -1.253 1.00 73.44 H new ATOM 0 HG3 MET A 1 1.998 -2.850 -2.483 1.00 73.44 H new ATOM 0 HE1 MET A 1 1.104 -4.465 1.589 1.00 2.41 H new ATOM 0 HE2 MET A 1 1.040 -2.710 1.301 1.00 2.41 H new ATOM 0 HE3 MET A 1 0.070 -3.813 0.296 1.00 2.41 H new ATOM 18 N GLY A 2 2.791 2.122 -1.610 1.00 63.20 N ATOM 19 CA GLY A 2 3.435 3.357 -1.201 1.00 73.30 C ATOM 20 C GLY A 2 4.035 4.112 -2.370 1.00 2.32 C ATOM 21 O GLY A 2 3.372 4.331 -3.383 1.00 73.02 O ATOM 0 H GLY A 2 1.772 2.158 -1.636 1.00 63.20 H new ATOM 0 HA2 GLY A 2 2.707 3.993 -0.697 1.00 73.30 H new ATOM 0 HA3 GLY A 2 4.218 3.132 -0.477 1.00 73.30 H new ATOM 25 N SER A 3 5.294 4.514 -2.229 1.00 25.23 N ATOM 26 CA SER A 3 5.983 5.255 -3.279 1.00 71.53 C ATOM 27 C SER A 3 6.929 4.344 -4.055 1.00 65.42 C ATOM 28 O SER A 3 7.940 4.795 -4.594 1.00 51.22 O ATOM 29 CB SER A 3 6.762 6.427 -2.679 1.00 61.55 C ATOM 30 OG SER A 3 6.459 7.637 -3.351 1.00 4.10 O ATOM 0 H SER A 3 5.858 4.339 -1.397 1.00 25.23 H new ATOM 0 HA SER A 3 5.233 5.642 -3.968 1.00 71.53 H new ATOM 0 HB2 SER A 3 6.520 6.525 -1.621 1.00 61.55 H new ATOM 0 HB3 SER A 3 7.832 6.229 -2.745 1.00 61.55 H new ATOM 0 HG SER A 3 6.968 8.371 -2.948 1.00 4.10 H new ATOM 36 N TRP A 4 6.594 3.060 -4.107 1.00 24.42 N ATOM 37 CA TRP A 4 7.414 2.084 -4.816 1.00 61.05 C ATOM 38 C TRP A 4 7.118 2.110 -6.312 1.00 24.40 C ATOM 39 O TRP A 4 8.023 1.974 -7.135 1.00 41.31 O ATOM 40 CB TRP A 4 7.170 0.681 -4.260 1.00 34.53 C ATOM 41 CG TRP A 4 7.654 -0.411 -5.166 1.00 2.34 C ATOM 42 CD1 TRP A 4 6.977 -0.969 -6.212 1.00 13.40 C ATOM 43 CD2 TRP A 4 8.920 -1.077 -5.104 1.00 1.31 C ATOM 44 NE1 TRP A 4 7.745 -1.941 -6.804 1.00 63.45 N ATOM 45 CE2 TRP A 4 8.942 -2.027 -6.144 1.00 2.50 C ATOM 46 CE3 TRP A 4 10.038 -0.962 -4.273 1.00 13.11 C ATOM 47 CZ2 TRP A 4 10.038 -2.855 -6.372 1.00 33.13 C ATOM 48 CZ3 TRP A 4 11.124 -1.785 -4.500 1.00 70.30 C ATOM 49 CH2 TRP A 4 11.118 -2.721 -5.543 1.00 22.33 C ATOM 0 H TRP A 4 5.760 2.670 -3.667 1.00 24.42 H new ATOM 0 HA TRP A 4 8.461 2.349 -4.666 1.00 61.05 H new ATOM 0 HB2 TRP A 4 7.668 0.589 -3.295 1.00 34.53 H new ATOM 0 HB3 TRP A 4 6.103 0.549 -4.082 1.00 34.53 H new ATOM 0 HD1 TRP A 4 5.983 -0.687 -6.527 1.00 13.40 H new ATOM 0 HE1 TRP A 4 7.469 -2.508 -7.606 1.00 63.45 H new ATOM 0 HE3 TRP A 4 10.053 -0.242 -3.468 1.00 13.11 H new ATOM 0 HZ2 TRP A 4 10.036 -3.577 -7.175 1.00 33.13 H new ATOM 0 HZ3 TRP A 4 11.992 -1.706 -3.863 1.00 70.30 H new ATOM 0 HH2 TRP A 4 11.983 -3.349 -5.695 1.00 22.33 H new ATOM 60 N ALA A 5 5.847 2.284 -6.657 1.00 12.35 N ATOM 61 CA ALA A 5 5.433 2.330 -8.053 1.00 62.15 C ATOM 62 C ALA A 5 6.264 3.339 -8.839 1.00 60.43 C ATOM 63 O ALA A 5 6.829 3.012 -9.882 1.00 62.23 O ATOM 64 CB ALA A 5 3.953 2.669 -8.155 1.00 24.10 C ATOM 0 H ALA A 5 5.085 2.396 -5.988 1.00 12.35 H new ATOM 0 HA ALA A 5 5.599 1.344 -8.488 1.00 62.15 H new ATOM 0 HB1 ALA A 5 3.658 2.700 -9.204 1.00 24.10 H new ATOM 0 HB2 ALA A 5 3.369 1.909 -7.636 1.00 24.10 H new ATOM 0 HB3 ALA A 5 3.770 3.642 -7.698 1.00 24.10 H new ATOM 70 N GLU A 6 6.333 4.565 -8.332 1.00 14.42 N ATOM 71 CA GLU A 6 7.094 5.622 -8.989 1.00 33.34 C ATOM 72 C GLU A 6 8.552 5.210 -9.169 1.00 71.33 C ATOM 73 O GLU A 6 9.105 5.308 -10.265 1.00 3.24 O ATOM 74 CB GLU A 6 7.015 6.917 -8.178 1.00 51.10 C ATOM 75 CG GLU A 6 6.345 8.061 -8.922 1.00 25.44 C ATOM 76 CD GLU A 6 5.539 8.960 -8.005 1.00 31.31 C ATOM 77 OE1 GLU A 6 4.489 8.508 -7.503 1.00 74.23 O ATOM 78 OE2 GLU A 6 5.959 10.116 -7.789 1.00 61.10 O ATOM 0 H GLU A 6 5.872 4.852 -7.469 1.00 14.42 H new ATOM 0 HA GLU A 6 6.658 5.791 -9.973 1.00 33.34 H new ATOM 0 HB2 GLU A 6 6.468 6.725 -7.255 1.00 51.10 H new ATOM 0 HB3 GLU A 6 8.023 7.220 -7.894 1.00 51.10 H new ATOM 0 HG2 GLU A 6 7.106 8.654 -9.430 1.00 25.44 H new ATOM 0 HG3 GLU A 6 5.691 7.654 -9.693 1.00 25.44 H new ATOM 85 N PHE A 7 9.169 4.748 -8.086 1.00 53.44 N ATOM 86 CA PHE A 7 10.563 4.323 -8.124 1.00 30.32 C ATOM 87 C PHE A 7 10.758 3.187 -9.124 1.00 22.12 C ATOM 88 O PHE A 7 11.787 3.106 -9.796 1.00 74.40 O ATOM 89 CB PHE A 7 11.020 3.877 -6.733 1.00 53.01 C ATOM 90 CG PHE A 7 11.591 4.992 -5.904 1.00 34.42 C ATOM 91 CD1 PHE A 7 10.848 6.134 -5.649 1.00 64.34 C ATOM 92 CD2 PHE A 7 12.869 4.897 -5.378 1.00 41.13 C ATOM 93 CE1 PHE A 7 11.372 7.161 -4.887 1.00 53.03 C ATOM 94 CE2 PHE A 7 13.398 5.921 -4.615 1.00 54.20 C ATOM 95 CZ PHE A 7 12.647 7.054 -4.368 1.00 44.24 C ATOM 0 H PHE A 7 8.725 4.659 -7.172 1.00 53.44 H new ATOM 0 HA PHE A 7 11.167 5.172 -8.443 1.00 30.32 H new ATOM 0 HB2 PHE A 7 10.174 3.439 -6.204 1.00 53.01 H new ATOM 0 HB3 PHE A 7 11.770 3.093 -6.840 1.00 53.01 H new ATOM 0 HD1 PHE A 7 9.849 6.222 -6.050 1.00 64.34 H new ATOM 0 HD2 PHE A 7 13.459 4.012 -5.566 1.00 41.13 H new ATOM 0 HE1 PHE A 7 10.784 8.047 -4.698 1.00 53.03 H new ATOM 0 HE2 PHE A 7 14.397 5.836 -4.213 1.00 54.20 H new ATOM 0 HZ PHE A 7 13.057 7.855 -3.770 1.00 44.24 H new ATOM 105 N LYS A 8 9.764 2.311 -9.216 1.00 73.34 N ATOM 106 CA LYS A 8 9.823 1.179 -10.134 1.00 2.02 C ATOM 107 C LYS A 8 9.831 1.654 -11.583 1.00 70.44 C ATOM 108 O LYS A 8 10.614 1.169 -12.400 1.00 31.32 O ATOM 109 CB LYS A 8 8.636 0.243 -9.899 1.00 32.41 C ATOM 110 CG LYS A 8 9.040 -1.152 -9.452 1.00 12.54 C ATOM 111 CD LYS A 8 9.930 -1.831 -10.479 1.00 1.33 C ATOM 112 CE LYS A 8 9.271 -3.076 -11.051 1.00 72.03 C ATOM 113 NZ LYS A 8 10.188 -3.823 -11.956 1.00 52.01 N ATOM 0 H LYS A 8 8.907 2.363 -8.666 1.00 73.34 H new ATOM 0 HA LYS A 8 10.749 0.636 -9.943 1.00 2.02 H new ATOM 0 HB2 LYS A 8 7.982 0.682 -9.145 1.00 32.41 H new ATOM 0 HB3 LYS A 8 8.056 0.167 -10.819 1.00 32.41 H new ATOM 0 HG2 LYS A 8 9.564 -1.092 -8.498 1.00 12.54 H new ATOM 0 HG3 LYS A 8 8.147 -1.755 -9.288 1.00 12.54 H new ATOM 0 HD2 LYS A 8 10.154 -1.133 -11.286 1.00 1.33 H new ATOM 0 HD3 LYS A 8 10.880 -2.100 -10.017 1.00 1.33 H new ATOM 0 HE2 LYS A 8 8.956 -3.727 -10.236 1.00 72.03 H new ATOM 0 HE3 LYS A 8 8.372 -2.792 -11.598 1.00 72.03 H new ATOM 0 HZ1 LYS A 8 9.702 -4.665 -12.325 1.00 52.01 H new ATOM 0 HZ2 LYS A 8 10.469 -3.210 -12.748 1.00 52.01 H new ATOM 0 HZ3 LYS A 8 11.034 -4.116 -11.428 1.00 52.01 H new ATOM 127 N GLN A 9 8.956 2.604 -11.895 1.00 11.32 N ATOM 128 CA GLN A 9 8.864 3.144 -13.246 1.00 52.12 C ATOM 129 C GLN A 9 10.159 3.844 -13.642 1.00 44.42 C ATOM 130 O GLN A 9 10.798 3.478 -14.629 1.00 22.44 O ATOM 131 CB GLN A 9 7.690 4.120 -13.349 1.00 44.03 C ATOM 132 CG GLN A 9 6.803 3.879 -14.560 1.00 30.23 C ATOM 133 CD GLN A 9 5.956 5.086 -14.912 1.00 33.40 C ATOM 134 OE1 GLN A 9 6.179 6.185 -14.404 1.00 61.12 O ATOM 135 NE2 GLN A 9 4.976 4.887 -15.786 1.00 62.32 N ATOM 0 H GLN A 9 8.301 3.016 -11.231 1.00 11.32 H new ATOM 0 HA GLN A 9 8.698 2.313 -13.932 1.00 52.12 H new ATOM 0 HB2 GLN A 9 7.085 4.045 -12.445 1.00 44.03 H new ATOM 0 HB3 GLN A 9 8.077 5.138 -13.389 1.00 44.03 H new ATOM 0 HG2 GLN A 9 7.426 3.615 -15.415 1.00 30.23 H new ATOM 0 HG3 GLN A 9 6.152 3.027 -14.365 1.00 30.23 H new ATOM 0 HE21 GLN A 9 4.827 3.959 -16.182 1.00 62.32 H new ATOM 0 HE22 GLN A 9 4.373 5.662 -16.061 1.00 62.32 H new ATOM 144 N ARG A 10 10.541 4.854 -12.867 1.00 42.20 N ATOM 145 CA ARG A 10 11.760 5.607 -13.138 1.00 71.01 C ATOM 146 C ARG A 10 12.960 4.673 -13.262 1.00 31.42 C ATOM 147 O ARG A 10 13.780 4.814 -14.170 1.00 54.13 O ATOM 148 CB ARG A 10 12.010 6.631 -12.029 1.00 75.03 C ATOM 149 CG ARG A 10 10.905 7.667 -11.897 1.00 31.42 C ATOM 150 CD ARG A 10 10.486 7.852 -10.447 1.00 31.33 C ATOM 151 NE ARG A 10 11.041 9.073 -9.868 1.00 74.42 N ATOM 152 CZ ARG A 10 10.673 10.294 -10.239 1.00 2.13 C ATOM 153 NH1 ARG A 10 9.755 10.457 -11.182 1.00 23.44 N ATOM 154 NH2 ARG A 10 11.224 11.356 -9.665 1.00 51.53 N ATOM 0 H ARG A 10 10.024 5.170 -12.046 1.00 42.20 H new ATOM 0 HA ARG A 10 11.630 6.131 -14.085 1.00 71.01 H new ATOM 0 HB2 ARG A 10 12.120 6.107 -11.080 1.00 75.03 H new ATOM 0 HB3 ARG A 10 12.954 7.141 -12.223 1.00 75.03 H new ATOM 0 HG2 ARG A 10 11.247 8.619 -12.302 1.00 31.42 H new ATOM 0 HG3 ARG A 10 10.043 7.359 -12.490 1.00 31.42 H new ATOM 0 HD2 ARG A 10 9.398 7.884 -10.385 1.00 31.33 H new ATOM 0 HD3 ARG A 10 10.814 6.992 -9.863 1.00 31.33 H new ATOM 0 HE ARG A 10 11.749 8.983 -9.140 1.00 74.42 H new ATOM 0 HH11 ARG A 10 9.329 9.643 -11.625 1.00 23.44 H new ATOM 0 HH12 ARG A 10 9.475 11.396 -11.464 1.00 23.44 H new ATOM 0 HH21 ARG A 10 11.930 11.235 -8.939 1.00 51.53 H new ATOM 0 HH22 ARG A 10 10.941 12.294 -9.950 1.00 51.53 H new ATOM 168 N LEU A 11 13.057 3.719 -12.343 1.00 23.54 N ATOM 169 CA LEU A 11 14.157 2.760 -12.348 1.00 4.51 C ATOM 170 C LEU A 11 14.158 1.939 -13.633 1.00 41.12 C ATOM 171 O LEU A 11 15.210 1.687 -14.220 1.00 1.12 O ATOM 172 CB LEU A 11 14.057 1.832 -11.136 1.00 42.31 C ATOM 173 CG LEU A 11 14.603 2.386 -9.819 1.00 53.24 C ATOM 174 CD1 LEU A 11 14.401 1.383 -8.694 1.00 51.40 C ATOM 175 CD2 LEU A 11 16.075 2.743 -9.960 1.00 42.43 C ATOM 0 H LEU A 11 12.387 3.588 -11.585 1.00 23.54 H new ATOM 0 HA LEU A 11 15.092 3.317 -12.294 1.00 4.51 H new ATOM 0 HB2 LEU A 11 13.009 1.570 -10.990 1.00 42.31 H new ATOM 0 HB3 LEU A 11 14.588 0.908 -11.366 1.00 42.31 H new ATOM 0 HG LEU A 11 14.052 3.294 -9.572 1.00 53.24 H new ATOM 0 HD11 LEU A 11 14.795 1.794 -7.765 1.00 51.40 H new ATOM 0 HD12 LEU A 11 13.337 1.177 -8.577 1.00 51.40 H new ATOM 0 HD13 LEU A 11 14.926 0.458 -8.933 1.00 51.40 H new ATOM 0 HD21 LEU A 11 16.446 3.136 -9.013 1.00 42.43 H new ATOM 0 HD22 LEU A 11 16.641 1.852 -10.231 1.00 42.43 H new ATOM 0 HD23 LEU A 11 16.193 3.498 -10.737 1.00 42.43 H new ATOM 187 N ALA A 12 12.971 1.526 -14.066 1.00 43.31 N ATOM 188 CA ALA A 12 12.835 0.737 -15.284 1.00 54.41 C ATOM 189 C ALA A 12 13.351 1.505 -16.496 1.00 63.02 C ATOM 190 O ALA A 12 14.091 0.963 -17.317 1.00 21.02 O ATOM 191 CB ALA A 12 11.382 0.335 -15.492 1.00 21.32 C ATOM 0 H ALA A 12 12.090 1.725 -13.591 1.00 43.31 H new ATOM 0 HA ALA A 12 13.438 -0.164 -15.173 1.00 54.41 H new ATOM 0 HB1 ALA A 12 11.295 -0.254 -16.405 1.00 21.32 H new ATOM 0 HB2 ALA A 12 11.044 -0.259 -14.643 1.00 21.32 H new ATOM 0 HB3 ALA A 12 10.765 1.230 -15.577 1.00 21.32 H new ATOM 197 N ALA A 13 12.956 2.769 -16.603 1.00 1.44 N ATOM 198 CA ALA A 13 13.381 3.612 -17.714 1.00 74.50 C ATOM 199 C ALA A 13 14.891 3.820 -17.699 1.00 61.22 C ATOM 200 O ALA A 13 15.544 3.773 -18.742 1.00 53.14 O ATOM 201 CB ALA A 13 12.661 4.951 -17.666 1.00 53.12 C ATOM 0 H ALA A 13 12.342 3.232 -15.933 1.00 1.44 H new ATOM 0 HA ALA A 13 13.120 3.105 -18.643 1.00 74.50 H new ATOM 0 HB1 ALA A 13 12.988 5.570 -18.501 1.00 53.12 H new ATOM 0 HB2 ALA A 13 11.585 4.788 -17.734 1.00 53.12 H new ATOM 0 HB3 ALA A 13 12.893 5.455 -16.728 1.00 53.12 H new ATOM 207 N ILE A 14 15.440 4.050 -16.511 1.00 43.24 N ATOM 208 CA ILE A 14 16.874 4.265 -16.362 1.00 42.31 C ATOM 209 C ILE A 14 17.663 3.034 -16.794 1.00 73.40 C ATOM 210 O ILE A 14 18.687 3.143 -17.468 1.00 50.13 O ATOM 211 CB ILE A 14 17.243 4.613 -14.908 1.00 32.13 C ATOM 212 CG1 ILE A 14 16.551 5.909 -14.479 1.00 71.50 C ATOM 213 CG2 ILE A 14 18.752 4.738 -14.759 1.00 72.32 C ATOM 214 CD1 ILE A 14 16.217 5.956 -13.004 1.00 63.04 C ATOM 0 H ILE A 14 14.914 4.092 -15.638 1.00 43.24 H new ATOM 0 HA ILE A 14 17.135 5.105 -17.006 1.00 42.31 H new ATOM 0 HB ILE A 14 16.899 3.807 -14.259 1.00 32.13 H new ATOM 0 HG12 ILE A 14 17.195 6.754 -14.725 1.00 71.50 H new ATOM 0 HG13 ILE A 14 15.634 6.029 -15.055 1.00 71.50 H new ATOM 0 HG21 ILE A 14 18.996 4.984 -13.726 1.00 72.32 H new ATOM 0 HG22 ILE A 14 19.224 3.793 -15.028 1.00 72.32 H new ATOM 0 HG23 ILE A 14 19.118 5.527 -15.416 1.00 72.32 H new ATOM 0 HD11 ILE A 14 15.729 6.902 -12.771 1.00 63.04 H new ATOM 0 HD12 ILE A 14 15.548 5.132 -12.756 1.00 63.04 H new ATOM 0 HD13 ILE A 14 17.133 5.867 -12.420 1.00 63.04 H new ATOM 226 N LYS A 15 17.178 1.860 -16.403 1.00 14.15 N ATOM 227 CA LYS A 15 17.834 0.606 -16.751 1.00 60.30 C ATOM 228 C LYS A 15 17.773 0.359 -18.255 1.00 51.10 C ATOM 229 O LYS A 15 18.761 -0.043 -18.870 1.00 23.21 O ATOM 230 CB LYS A 15 17.180 -0.560 -16.005 1.00 64.04 C ATOM 231 CG LYS A 15 18.174 -1.456 -15.286 1.00 42.23 C ATOM 232 CD LYS A 15 17.684 -2.892 -15.220 1.00 34.41 C ATOM 233 CE LYS A 15 18.378 -3.767 -16.253 1.00 0.23 C ATOM 234 NZ LYS A 15 17.437 -4.733 -16.884 1.00 22.32 N ATOM 0 H LYS A 15 16.332 1.751 -15.844 1.00 14.15 H new ATOM 0 HA LYS A 15 18.880 0.678 -16.454 1.00 60.30 H new ATOM 0 HB2 LYS A 15 16.470 -0.164 -15.279 1.00 64.04 H new ATOM 0 HB3 LYS A 15 16.610 -1.160 -16.714 1.00 64.04 H new ATOM 0 HG2 LYS A 15 19.134 -1.422 -15.800 1.00 42.23 H new ATOM 0 HG3 LYS A 15 18.340 -1.080 -14.276 1.00 42.23 H new ATOM 0 HD2 LYS A 15 17.864 -3.293 -14.223 1.00 34.41 H new ATOM 0 HD3 LYS A 15 16.607 -2.918 -15.385 1.00 34.41 H new ATOM 0 HE2 LYS A 15 18.822 -3.137 -17.023 1.00 0.23 H new ATOM 0 HE3 LYS A 15 19.194 -4.312 -15.778 1.00 0.23 H new ATOM 0 HZ1 LYS A 15 17.809 -5.026 -17.810 1.00 22.32 H new ATOM 0 HZ2 LYS A 15 17.335 -5.568 -16.272 1.00 22.32 H new ATOM 0 HZ3 LYS A 15 16.509 -4.281 -17.011 1.00 22.32 H new ATOM 248 N THR A 16 16.606 0.604 -18.844 1.00 2.14 N ATOM 249 CA THR A 16 16.417 0.409 -20.275 1.00 55.13 C ATOM 250 C THR A 16 17.406 1.244 -21.080 1.00 25.42 C ATOM 251 O THR A 16 18.175 0.711 -21.881 1.00 31.02 O ATOM 252 CB THR A 16 14.984 0.775 -20.707 1.00 50.02 C ATOM 253 OG1 THR A 16 14.037 0.199 -19.801 1.00 72.30 O ATOM 254 CG2 THR A 16 14.703 0.287 -22.120 1.00 64.34 C ATOM 0 H THR A 16 15.778 0.938 -18.351 1.00 2.14 H new ATOM 0 HA THR A 16 16.591 -0.648 -20.475 1.00 55.13 H new ATOM 0 HB THR A 16 14.889 1.861 -20.689 1.00 50.02 H new ATOM 0 HG1 THR A 16 13.993 0.741 -18.986 1.00 72.30 H new ATOM 0 HG21 THR A 16 13.685 0.557 -22.403 1.00 64.34 H new ATOM 0 HG22 THR A 16 15.407 0.750 -22.812 1.00 64.34 H new ATOM 0 HG23 THR A 16 14.815 -0.796 -22.160 1.00 64.34 H new ATOM 262 N ARG A 17 17.383 2.554 -20.861 1.00 43.32 N ATOM 263 CA ARG A 17 18.279 3.463 -21.567 1.00 21.41 C ATOM 264 C ARG A 17 19.737 3.151 -21.240 1.00 52.24 C ATOM 265 O ARG A 17 20.617 3.291 -22.090 1.00 62.03 O ATOM 266 CB ARG A 17 17.962 4.913 -21.200 1.00 12.42 C ATOM 267 CG ARG A 17 16.895 5.545 -22.079 1.00 61.24 C ATOM 268 CD ARG A 17 15.500 5.097 -21.672 1.00 22.21 C ATOM 269 NE ARG A 17 14.484 5.537 -22.624 1.00 11.53 N ATOM 270 CZ ARG A 17 13.179 5.487 -22.381 1.00 51.50 C ATOM 271 NH1 ARG A 17 12.734 5.019 -21.223 1.00 50.02 N ATOM 272 NH2 ARG A 17 12.316 5.907 -23.297 1.00 51.24 N ATOM 0 H ARG A 17 16.754 3.010 -20.200 1.00 43.32 H new ATOM 0 HA ARG A 17 18.127 3.325 -22.637 1.00 21.41 H new ATOM 0 HB2 ARG A 17 17.635 4.953 -20.161 1.00 12.42 H new ATOM 0 HB3 ARG A 17 18.875 5.504 -21.270 1.00 12.42 H new ATOM 0 HG2 ARG A 17 16.963 6.631 -22.012 1.00 61.24 H new ATOM 0 HG3 ARG A 17 17.075 5.278 -23.120 1.00 61.24 H new ATOM 0 HD2 ARG A 17 15.477 4.010 -21.594 1.00 22.21 H new ATOM 0 HD3 ARG A 17 15.266 5.493 -20.684 1.00 22.21 H new ATOM 0 HE ARG A 17 14.793 5.903 -23.525 1.00 11.53 H new ATOM 0 HH11 ARG A 17 13.394 4.696 -20.516 1.00 50.02 H new ATOM 0 HH12 ARG A 17 11.731 4.982 -21.039 1.00 50.02 H new ATOM 0 HH21 ARG A 17 12.654 6.269 -24.189 1.00 51.24 H new ATOM 0 HH22 ARG A 17 11.314 5.868 -23.110 1.00 51.24 H new ATOM 286 N CYS A 18 19.984 2.730 -20.005 1.00 72.42 N ATOM 287 CA CYS A 18 21.335 2.400 -19.566 1.00 30.32 C ATOM 288 C CYS A 18 21.843 1.143 -20.265 1.00 54.04 C ATOM 289 O CYS A 18 23.033 1.020 -20.553 1.00 32.31 O ATOM 290 CB CYS A 18 21.366 2.202 -18.050 1.00 25.14 C ATOM 291 SG CYS A 18 22.907 1.485 -17.431 1.00 34.15 S ATOM 0 H CYS A 18 19.267 2.609 -19.290 1.00 72.42 H new ATOM 0 HA CYS A 18 21.989 3.230 -19.831 1.00 30.32 H new ATOM 0 HB2 CYS A 18 21.205 3.165 -17.565 1.00 25.14 H new ATOM 0 HB3 CYS A 18 20.536 1.557 -17.761 1.00 25.14 H new ATOM 0 HG CYS A 18 23.690 2.435 -17.013 1.00 34.15 H new ATOM 297 N GLN A 19 20.932 0.213 -20.535 1.00 11.15 N ATOM 298 CA GLN A 19 21.289 -1.035 -21.198 1.00 73.22 C ATOM 299 C GLN A 19 21.564 -0.804 -22.680 1.00 61.34 C ATOM 300 O GLN A 19 22.529 -1.332 -23.232 1.00 22.41 O ATOM 301 CB GLN A 19 20.170 -2.065 -21.030 1.00 0.24 C ATOM 302 CG GLN A 19 19.962 -2.507 -19.590 1.00 13.40 C ATOM 303 CD GLN A 19 20.438 -3.924 -19.340 1.00 1.23 C ATOM 304 OE1 GLN A 19 19.640 -4.860 -19.292 1.00 33.11 O ATOM 305 NE2 GLN A 19 21.746 -4.089 -19.178 1.00 73.34 N ATOM 0 H GLN A 19 19.942 0.301 -20.305 1.00 11.15 H new ATOM 0 HA GLN A 19 22.198 -1.417 -20.733 1.00 73.22 H new ATOM 0 HB2 GLN A 19 19.239 -1.644 -21.410 1.00 0.24 H new ATOM 0 HB3 GLN A 19 20.397 -2.939 -21.641 1.00 0.24 H new ATOM 0 HG2 GLN A 19 20.494 -1.827 -18.925 1.00 13.40 H new ATOM 0 HG3 GLN A 19 18.903 -2.434 -19.341 1.00 13.40 H new ATOM 0 HE21 GLN A 19 22.371 -3.285 -19.226 1.00 73.34 H new ATOM 0 HE22 GLN A 19 22.125 -5.020 -19.006 1.00 73.34 H new ATOM 314 N ALA A 20 20.709 -0.012 -23.320 1.00 25.44 N ATOM 315 CA ALA A 20 20.862 0.290 -24.737 1.00 71.44 C ATOM 316 C ALA A 20 22.000 1.278 -24.969 1.00 13.21 C ATOM 317 O ALA A 20 22.653 1.255 -26.013 1.00 1.21 O ATOM 318 CB ALA A 20 19.560 0.838 -25.303 1.00 43.01 C ATOM 0 H ALA A 20 19.903 0.432 -22.879 1.00 25.44 H new ATOM 0 HA ALA A 20 21.110 -0.636 -25.256 1.00 71.44 H new ATOM 0 HB1 ALA A 20 19.689 1.059 -26.363 1.00 43.01 H new ATOM 0 HB2 ALA A 20 18.770 0.097 -25.180 1.00 43.01 H new ATOM 0 HB3 ALA A 20 19.288 1.750 -24.772 1.00 43.01 H new ATOM 324 N LEU A 21 22.231 2.146 -23.990 1.00 64.12 N ATOM 325 CA LEU A 21 23.291 3.144 -24.088 1.00 13.14 C ATOM 326 C LEU A 21 23.156 3.958 -25.370 1.00 53.15 C ATOM 327 O LEU A 21 24.136 4.499 -25.881 1.00 32.13 O ATOM 328 CB LEU A 21 24.662 2.468 -24.041 1.00 71.53 C ATOM 329 CG LEU A 21 24.974 1.668 -22.776 1.00 15.14 C ATOM 330 CD1 LEU A 21 26.181 0.771 -22.995 1.00 64.41 C ATOM 331 CD2 LEU A 21 25.209 2.603 -21.598 1.00 55.45 C ATOM 0 H LEU A 21 21.699 2.179 -23.120 1.00 64.12 H new ATOM 0 HA LEU A 21 23.198 3.821 -23.239 1.00 13.14 H new ATOM 0 HB2 LEU A 21 24.745 1.800 -24.899 1.00 71.53 H new ATOM 0 HB3 LEU A 21 25.427 3.235 -24.159 1.00 71.53 H new ATOM 0 HG LEU A 21 24.115 1.037 -22.548 1.00 15.14 H new ATOM 0 HD11 LEU A 21 26.387 0.210 -22.084 1.00 64.41 H new ATOM 0 HD12 LEU A 21 25.975 0.077 -23.810 1.00 64.41 H new ATOM 0 HD13 LEU A 21 27.047 1.382 -23.249 1.00 64.41 H new ATOM 0 HD21 LEU A 21 25.430 2.016 -20.706 1.00 55.45 H new ATOM 0 HD22 LEU A 21 26.050 3.260 -21.817 1.00 55.45 H new ATOM 0 HD23 LEU A 21 24.315 3.203 -21.426 1.00 55.45 H new ATOM 343 N GLY A 22 21.933 4.042 -25.886 1.00 51.41 N ATOM 344 CA GLY A 22 21.692 4.794 -27.104 1.00 15.02 C ATOM 345 C GLY A 22 20.707 5.929 -26.899 1.00 64.33 C ATOM 346 O GLY A 22 20.611 6.833 -27.728 1.00 32.12 O ATOM 0 H GLY A 22 21.105 3.603 -25.482 1.00 51.41 H new ATOM 0 HA2 GLY A 22 22.636 5.198 -27.471 1.00 15.02 H new ATOM 0 HA3 GLY A 22 21.312 4.122 -27.873 1.00 15.02 H new ATOM 350 N GLY A 23 19.973 5.881 -25.792 1.00 73.30 N ATOM 351 CA GLY A 23 18.999 6.917 -25.502 1.00 42.22 C ATOM 352 C GLY A 23 19.593 8.310 -25.586 1.00 34.42 C ATOM 353 O GLY A 23 18.982 9.219 -26.147 1.00 42.15 O ATOM 0 H GLY A 23 20.035 5.143 -25.091 1.00 73.30 H new ATOM 0 HA2 GLY A 23 18.168 6.837 -26.203 1.00 42.22 H new ATOM 0 HA3 GLY A 23 18.591 6.759 -24.504 1.00 42.22 H new ATOM 357 N SER A 24 20.786 8.477 -25.024 1.00 55.52 N ATOM 358 CA SER A 24 21.459 9.771 -25.033 1.00 23.31 C ATOM 359 C SER A 24 22.803 9.688 -24.315 1.00 60.02 C ATOM 360 O SER A 24 22.870 9.328 -23.140 1.00 55.33 O ATOM 361 CB SER A 24 20.579 10.833 -24.371 1.00 21.53 C ATOM 362 OG SER A 24 19.857 11.573 -25.339 1.00 61.05 O ATOM 0 H SER A 24 21.306 7.734 -24.557 1.00 55.52 H new ATOM 0 HA SER A 24 21.637 10.053 -26.071 1.00 23.31 H new ATOM 0 HB2 SER A 24 19.883 10.355 -23.681 1.00 21.53 H new ATOM 0 HB3 SER A 24 21.199 11.508 -23.781 1.00 21.53 H new ATOM 0 HG SER A 24 19.355 10.958 -25.913 1.00 61.05 H new ATOM 368 N GLU A 25 23.871 10.024 -25.032 1.00 22.23 N ATOM 369 CA GLU A 25 25.214 9.987 -24.464 1.00 33.33 C ATOM 370 C GLU A 25 25.275 10.777 -23.160 1.00 11.21 C ATOM 371 O GLU A 25 26.072 10.471 -22.273 1.00 55.42 O ATOM 372 CB GLU A 25 26.229 10.548 -25.461 1.00 63.12 C ATOM 373 CG GLU A 25 25.852 11.913 -26.011 1.00 53.03 C ATOM 374 CD GLU A 25 25.814 11.941 -27.527 1.00 12.21 C ATOM 375 OE1 GLU A 25 26.857 11.659 -28.152 1.00 71.14 O ATOM 376 OE2 GLU A 25 24.740 12.246 -28.087 1.00 71.43 O ATOM 0 H GLU A 25 23.833 10.325 -26.006 1.00 22.23 H new ATOM 0 HA GLU A 25 25.462 8.947 -24.251 1.00 33.33 H new ATOM 0 HB2 GLU A 25 27.202 10.618 -24.975 1.00 63.12 H new ATOM 0 HB3 GLU A 25 26.336 9.849 -26.290 1.00 63.12 H new ATOM 0 HG2 GLU A 25 24.875 12.200 -25.621 1.00 53.03 H new ATOM 0 HG3 GLU A 25 26.568 12.654 -25.655 1.00 53.03 H new ATOM 383 N ALA A 26 24.428 11.795 -23.052 1.00 13.42 N ATOM 384 CA ALA A 26 24.384 12.629 -21.857 1.00 12.20 C ATOM 385 C ALA A 26 23.475 12.019 -20.795 1.00 25.01 C ATOM 386 O ALA A 26 23.723 12.162 -19.598 1.00 71.51 O ATOM 387 CB ALA A 26 23.917 14.033 -22.210 1.00 53.52 C ATOM 0 H ALA A 26 23.763 12.062 -23.778 1.00 13.42 H new ATOM 0 HA ALA A 26 25.392 12.686 -21.446 1.00 12.20 H new ATOM 0 HB1 ALA A 26 23.889 14.645 -21.308 1.00 53.52 H new ATOM 0 HB2 ALA A 26 24.607 14.476 -22.928 1.00 53.52 H new ATOM 0 HB3 ALA A 26 22.920 13.986 -22.647 1.00 53.52 H new ATOM 393 N GLU A 27 22.424 11.340 -21.242 1.00 35.14 N ATOM 394 CA GLU A 27 21.478 10.710 -20.328 1.00 31.32 C ATOM 395 C GLU A 27 22.207 9.858 -19.293 1.00 31.24 C ATOM 396 O GLU A 27 21.763 9.735 -18.150 1.00 72.14 O ATOM 397 CB GLU A 27 20.482 9.846 -21.105 1.00 12.32 C ATOM 398 CG GLU A 27 19.105 10.476 -21.238 1.00 64.23 C ATOM 399 CD GLU A 27 18.296 10.386 -19.959 1.00 61.31 C ATOM 400 OE1 GLU A 27 18.863 10.648 -18.878 1.00 21.11 O ATOM 401 OE2 GLU A 27 17.095 10.053 -20.040 1.00 30.01 O ATOM 0 H GLU A 27 22.206 11.212 -22.230 1.00 35.14 H new ATOM 0 HA GLU A 27 20.935 11.499 -19.807 1.00 31.32 H new ATOM 0 HB2 GLU A 27 20.881 9.652 -22.100 1.00 12.32 H new ATOM 0 HB3 GLU A 27 20.385 8.881 -20.607 1.00 12.32 H new ATOM 0 HG2 GLU A 27 19.214 11.523 -21.521 1.00 64.23 H new ATOM 0 HG3 GLU A 27 18.560 9.983 -22.043 1.00 64.23 H new ATOM 408 N CYS A 28 23.327 9.272 -19.701 1.00 31.24 N ATOM 409 CA CYS A 28 24.118 8.430 -18.810 1.00 34.13 C ATOM 410 C CYS A 28 24.394 9.143 -17.490 1.00 54.32 C ATOM 411 O CYS A 28 24.256 8.558 -16.416 1.00 45.33 O ATOM 412 CB CYS A 28 25.437 8.041 -19.479 1.00 13.11 C ATOM 413 SG CYS A 28 25.241 7.251 -21.093 1.00 74.23 S ATOM 0 H CYS A 28 23.708 9.364 -20.643 1.00 31.24 H new ATOM 0 HA CYS A 28 23.545 7.527 -18.601 1.00 34.13 H new ATOM 0 HB2 CYS A 28 26.050 8.935 -19.596 1.00 13.11 H new ATOM 0 HB3 CYS A 28 25.981 7.365 -18.819 1.00 13.11 H new ATOM 0 HG CYS A 28 26.411 6.961 -21.579 1.00 74.23 H new ATOM 419 N ALA A 29 24.785 10.410 -17.579 1.00 51.32 N ATOM 420 CA ALA A 29 25.080 11.204 -16.393 1.00 21.24 C ATOM 421 C ALA A 29 23.863 11.298 -15.478 1.00 63.34 C ATOM 422 O ALA A 29 23.958 11.051 -14.276 1.00 52.44 O ATOM 423 CB ALA A 29 25.552 12.594 -16.791 1.00 54.35 C ATOM 0 H ALA A 29 24.905 10.909 -18.461 1.00 51.32 H new ATOM 0 HA ALA A 29 25.878 10.706 -15.843 1.00 21.24 H new ATOM 0 HB1 ALA A 29 25.768 13.175 -15.895 1.00 54.35 H new ATOM 0 HB2 ALA A 29 26.454 12.512 -17.397 1.00 54.35 H new ATOM 0 HB3 ALA A 29 24.772 13.092 -17.367 1.00 54.35 H new ATOM 429 N ALA A 30 22.721 11.656 -16.056 1.00 2.21 N ATOM 430 CA ALA A 30 21.486 11.781 -15.293 1.00 14.32 C ATOM 431 C ALA A 30 21.164 10.487 -14.553 1.00 2.55 C ATOM 432 O ALA A 30 20.673 10.512 -13.424 1.00 31.11 O ATOM 433 CB ALA A 30 20.335 12.166 -16.211 1.00 0.21 C ATOM 0 H ALA A 30 22.626 11.864 -17.050 1.00 2.21 H new ATOM 0 HA ALA A 30 21.625 12.568 -14.552 1.00 14.32 H new ATOM 0 HB1 ALA A 30 19.419 12.256 -15.628 1.00 0.21 H new ATOM 0 HB2 ALA A 30 20.555 13.120 -16.690 1.00 0.21 H new ATOM 0 HB3 ALA A 30 20.206 11.398 -16.974 1.00 0.21 H new ATOM 439 N PHE A 31 21.444 9.358 -15.195 1.00 52.41 N ATOM 440 CA PHE A 31 21.183 8.054 -14.598 1.00 34.02 C ATOM 441 C PHE A 31 22.060 7.833 -13.369 1.00 70.11 C ATOM 442 O PHE A 31 21.570 7.465 -12.302 1.00 55.32 O ATOM 443 CB PHE A 31 21.428 6.943 -15.621 1.00 23.35 C ATOM 444 CG PHE A 31 20.475 6.974 -16.781 1.00 2.51 C ATOM 445 CD1 PHE A 31 19.143 7.303 -16.591 1.00 75.41 C ATOM 446 CD2 PHE A 31 20.912 6.676 -18.061 1.00 71.45 C ATOM 447 CE1 PHE A 31 18.263 7.333 -17.657 1.00 12.12 C ATOM 448 CE2 PHE A 31 20.037 6.705 -19.131 1.00 20.00 C ATOM 449 CZ PHE A 31 18.711 7.033 -18.928 1.00 73.13 C ATOM 0 H PHE A 31 21.852 9.320 -16.129 1.00 52.41 H new ATOM 0 HA PHE A 31 20.139 8.027 -14.286 1.00 34.02 H new ATOM 0 HB2 PHE A 31 22.448 7.025 -15.997 1.00 23.35 H new ATOM 0 HB3 PHE A 31 21.349 5.977 -15.122 1.00 23.35 H new ATOM 0 HD1 PHE A 31 18.788 7.539 -15.599 1.00 75.41 H new ATOM 0 HD2 PHE A 31 21.948 6.418 -18.225 1.00 71.45 H new ATOM 0 HE1 PHE A 31 17.227 7.591 -17.496 1.00 12.12 H new ATOM 0 HE2 PHE A 31 20.390 6.471 -20.125 1.00 20.00 H new ATOM 0 HZ PHE A 31 18.025 7.055 -19.762 1.00 73.13 H new ATOM 459 N GLU A 32 23.360 8.059 -13.529 1.00 41.41 N ATOM 460 CA GLU A 32 24.306 7.883 -12.433 1.00 50.54 C ATOM 461 C GLU A 32 23.888 8.705 -11.217 1.00 22.41 C ATOM 462 O GLU A 32 23.820 8.191 -10.100 1.00 62.00 O ATOM 463 CB GLU A 32 25.714 8.287 -12.876 1.00 10.32 C ATOM 464 CG GLU A 32 26.818 7.639 -12.058 1.00 44.00 C ATOM 465 CD GLU A 32 28.024 8.542 -11.886 1.00 41.43 C ATOM 466 OE1 GLU A 32 28.527 9.062 -12.904 1.00 54.13 O ATOM 467 OE2 GLU A 32 28.465 8.729 -10.733 1.00 11.52 O ATOM 0 H GLU A 32 23.782 8.364 -14.406 1.00 41.41 H new ATOM 0 HA GLU A 32 24.309 6.829 -12.154 1.00 50.54 H new ATOM 0 HB2 GLU A 32 25.846 8.021 -13.925 1.00 10.32 H new ATOM 0 HB3 GLU A 32 25.811 9.371 -12.807 1.00 10.32 H new ATOM 0 HG2 GLU A 32 26.428 7.370 -11.077 1.00 44.00 H new ATOM 0 HG3 GLU A 32 27.128 6.713 -12.542 1.00 44.00 H new ATOM 474 N LYS A 33 23.610 9.984 -11.442 1.00 14.24 N ATOM 475 CA LYS A 33 23.198 10.878 -10.366 1.00 53.41 C ATOM 476 C LYS A 33 21.838 10.469 -9.809 1.00 21.12 C ATOM 477 O LYS A 33 21.689 10.259 -8.606 1.00 13.14 O ATOM 478 CB LYS A 33 23.140 12.322 -10.869 1.00 45.54 C ATOM 479 CG LYS A 33 24.361 13.146 -10.495 1.00 34.10 C ATOM 480 CD LYS A 33 25.056 13.703 -11.726 1.00 4.15 C ATOM 481 CE LYS A 33 26.207 14.623 -11.347 1.00 22.43 C ATOM 482 NZ LYS A 33 27.451 14.291 -12.095 1.00 43.41 N ATOM 0 H LYS A 33 23.662 10.425 -12.360 1.00 14.24 H new ATOM 0 HA LYS A 33 23.935 10.807 -9.566 1.00 53.41 H new ATOM 0 HB2 LYS A 33 23.034 12.316 -11.954 1.00 45.54 H new ATOM 0 HB3 LYS A 33 22.249 12.803 -10.465 1.00 45.54 H new ATOM 0 HG2 LYS A 33 24.062 13.966 -9.843 1.00 34.10 H new ATOM 0 HG3 LYS A 33 25.059 12.528 -9.930 1.00 34.10 H new ATOM 0 HD2 LYS A 33 25.431 12.882 -12.336 1.00 4.15 H new ATOM 0 HD3 LYS A 33 24.337 14.250 -12.335 1.00 4.15 H new ATOM 0 HE2 LYS A 33 25.927 15.657 -11.548 1.00 22.43 H new ATOM 0 HE3 LYS A 33 26.396 14.547 -10.276 1.00 22.43 H new ATOM 0 HZ1 LYS A 33 28.212 14.940 -11.809 1.00 43.41 H new ATOM 0 HZ2 LYS A 33 27.733 13.312 -11.883 1.00 43.41 H new ATOM 0 HZ3 LYS A 33 27.279 14.388 -13.116 1.00 43.41 H new ATOM 496 N GLU A 34 20.851 10.356 -10.692 1.00 50.01 N ATOM 497 CA GLU A 34 19.504 9.971 -10.287 1.00 24.34 C ATOM 498 C GLU A 34 19.534 8.704 -9.437 1.00 33.25 C ATOM 499 O GLU A 34 18.929 8.649 -8.365 1.00 60.42 O ATOM 500 CB GLU A 34 18.620 9.753 -11.516 1.00 63.33 C ATOM 501 CG GLU A 34 18.126 11.044 -12.148 1.00 24.55 C ATOM 502 CD GLU A 34 17.041 11.716 -11.329 1.00 24.53 C ATOM 503 OE1 GLU A 34 17.385 12.484 -10.406 1.00 24.20 O ATOM 504 OE2 GLU A 34 15.849 11.473 -11.610 1.00 2.41 O ATOM 0 H GLU A 34 20.959 10.525 -11.692 1.00 50.01 H new ATOM 0 HA GLU A 34 19.087 10.781 -9.688 1.00 24.34 H new ATOM 0 HB2 GLU A 34 19.180 9.185 -12.259 1.00 63.33 H new ATOM 0 HB3 GLU A 34 17.761 9.146 -11.232 1.00 63.33 H new ATOM 0 HG2 GLU A 34 18.964 11.730 -12.266 1.00 24.55 H new ATOM 0 HG3 GLU A 34 17.744 10.832 -13.147 1.00 24.55 H new ATOM 511 N ILE A 35 20.240 7.689 -9.922 1.00 61.34 N ATOM 512 CA ILE A 35 20.349 6.423 -9.208 1.00 12.03 C ATOM 513 C ILE A 35 20.987 6.619 -7.837 1.00 25.21 C ATOM 514 O ILE A 35 20.521 6.069 -6.839 1.00 50.54 O ATOM 515 CB ILE A 35 21.175 5.396 -10.004 1.00 74.24 C ATOM 516 CG1 ILE A 35 20.415 4.962 -11.260 1.00 22.32 C ATOM 517 CG2 ILE A 35 21.503 4.192 -9.135 1.00 24.52 C ATOM 518 CD1 ILE A 35 19.201 4.109 -10.967 1.00 32.22 C ATOM 0 H ILE A 35 20.746 7.718 -10.807 1.00 61.34 H new ATOM 0 HA ILE A 35 19.335 6.043 -9.084 1.00 12.03 H new ATOM 0 HB ILE A 35 22.111 5.863 -10.311 1.00 74.24 H new ATOM 0 HG12 ILE A 35 20.101 5.849 -11.810 1.00 22.32 H new ATOM 0 HG13 ILE A 35 21.091 4.407 -11.910 1.00 22.32 H new ATOM 0 HG21 ILE A 35 22.087 3.475 -9.712 1.00 24.52 H new ATOM 0 HG22 ILE A 35 22.079 4.515 -8.268 1.00 24.52 H new ATOM 0 HG23 ILE A 35 20.578 3.721 -8.801 1.00 24.52 H new ATOM 0 HD11 ILE A 35 18.712 3.839 -11.903 1.00 32.22 H new ATOM 0 HD12 ILE A 35 19.510 3.204 -10.444 1.00 32.22 H new ATOM 0 HD13 ILE A 35 18.505 4.669 -10.342 1.00 32.22 H new ATOM 530 N ALA A 36 22.057 7.407 -7.796 1.00 33.14 N ATOM 531 CA ALA A 36 22.757 7.679 -6.547 1.00 24.23 C ATOM 532 C ALA A 36 21.808 8.247 -5.497 1.00 62.30 C ATOM 533 O ALA A 36 21.788 7.792 -4.354 1.00 5.13 O ATOM 534 CB ALA A 36 23.914 8.637 -6.788 1.00 64.04 C ATOM 0 H ALA A 36 22.457 7.868 -8.613 1.00 33.14 H new ATOM 0 HA ALA A 36 23.152 6.736 -6.169 1.00 24.23 H new ATOM 0 HB1 ALA A 36 24.428 8.831 -5.846 1.00 64.04 H new ATOM 0 HB2 ALA A 36 24.612 8.193 -7.498 1.00 64.04 H new ATOM 0 HB3 ALA A 36 23.532 9.574 -7.193 1.00 64.04 H new ATOM 540 N ALA A 37 21.023 9.243 -5.893 1.00 42.22 N ATOM 541 CA ALA A 37 20.071 9.872 -4.987 1.00 13.15 C ATOM 542 C ALA A 37 18.948 8.909 -4.616 1.00 54.51 C ATOM 543 O ALA A 37 18.406 8.967 -3.512 1.00 54.42 O ATOM 544 CB ALA A 37 19.500 11.136 -5.614 1.00 23.43 C ATOM 0 H ALA A 37 21.028 9.632 -6.836 1.00 42.22 H new ATOM 0 HA ALA A 37 20.601 10.141 -4.073 1.00 13.15 H new ATOM 0 HB1 ALA A 37 18.790 11.595 -4.926 1.00 23.43 H new ATOM 0 HB2 ALA A 37 20.309 11.836 -5.822 1.00 23.43 H new ATOM 0 HB3 ALA A 37 18.991 10.883 -6.544 1.00 23.43 H new ATOM 550 N PHE A 38 18.602 8.025 -5.546 1.00 11.11 N ATOM 551 CA PHE A 38 17.541 7.051 -5.317 1.00 63.34 C ATOM 552 C PHE A 38 17.898 6.120 -4.162 1.00 15.24 C ATOM 553 O PHE A 38 17.132 5.977 -3.209 1.00 22.31 O ATOM 554 CB PHE A 38 17.289 6.233 -6.586 1.00 12.21 C ATOM 555 CG PHE A 38 15.960 6.515 -7.226 1.00 14.10 C ATOM 556 CD1 PHE A 38 15.511 7.817 -7.377 1.00 51.22 C ATOM 557 CD2 PHE A 38 15.159 5.478 -7.677 1.00 21.01 C ATOM 558 CE1 PHE A 38 14.288 8.079 -7.965 1.00 52.21 C ATOM 559 CE2 PHE A 38 13.935 5.734 -8.266 1.00 62.21 C ATOM 560 CZ PHE A 38 13.500 7.036 -8.411 1.00 54.32 C ATOM 0 H PHE A 38 19.041 7.963 -6.465 1.00 11.11 H new ATOM 0 HA PHE A 38 16.633 7.594 -5.056 1.00 63.34 H new ATOM 0 HB2 PHE A 38 18.081 6.440 -7.306 1.00 12.21 H new ATOM 0 HB3 PHE A 38 17.349 5.172 -6.343 1.00 12.21 H new ATOM 0 HD1 PHE A 38 16.124 8.636 -7.031 1.00 51.22 H new ATOM 0 HD2 PHE A 38 15.495 4.458 -7.567 1.00 21.01 H new ATOM 0 HE1 PHE A 38 13.949 9.098 -8.076 1.00 52.21 H new ATOM 0 HE2 PHE A 38 13.320 4.917 -8.612 1.00 62.21 H new ATOM 0 HZ PHE A 38 12.545 7.239 -8.873 1.00 54.32 H new ATOM 570 N GLU A 39 19.065 5.490 -4.255 1.00 15.31 N ATOM 571 CA GLU A 39 19.521 4.573 -3.218 1.00 24.51 C ATOM 572 C GLU A 39 19.792 5.317 -1.914 1.00 24.34 C ATOM 573 O GLU A 39 19.503 4.814 -0.828 1.00 22.21 O ATOM 574 CB GLU A 39 20.786 3.842 -3.673 1.00 44.15 C ATOM 575 CG GLU A 39 21.955 4.770 -3.961 1.00 73.02 C ATOM 576 CD GLU A 39 23.171 4.031 -4.486 1.00 11.45 C ATOM 577 OE1 GLU A 39 23.177 2.784 -4.432 1.00 72.11 O ATOM 578 OE2 GLU A 39 24.117 4.702 -4.950 1.00 32.13 O ATOM 0 H GLU A 39 19.711 5.598 -5.037 1.00 15.31 H new ATOM 0 HA GLU A 39 18.731 3.843 -3.042 1.00 24.51 H new ATOM 0 HB2 GLU A 39 21.080 3.129 -2.903 1.00 44.15 H new ATOM 0 HB3 GLU A 39 20.560 3.267 -4.571 1.00 44.15 H new ATOM 0 HG2 GLU A 39 21.648 5.520 -4.690 1.00 73.02 H new ATOM 0 HG3 GLU A 39 22.224 5.303 -3.049 1.00 73.02 H new ATOM 585 N SER A 40 20.350 6.518 -2.029 1.00 62.32 N ATOM 586 CA SER A 40 20.665 7.330 -0.860 1.00 12.21 C ATOM 587 C SER A 40 19.390 7.833 -0.189 1.00 22.22 C ATOM 588 O SER A 40 19.371 8.091 1.014 1.00 35.12 O ATOM 589 CB SER A 40 21.546 8.515 -1.258 1.00 44.44 C ATOM 590 OG SER A 40 21.666 9.443 -0.194 1.00 21.45 O ATOM 0 H SER A 40 20.593 6.950 -2.920 1.00 62.32 H new ATOM 0 HA SER A 40 21.207 6.706 -0.150 1.00 12.21 H new ATOM 0 HB2 SER A 40 22.535 8.157 -1.545 1.00 44.44 H new ATOM 0 HB3 SER A 40 21.121 9.011 -2.131 1.00 44.44 H new ATOM 0 HG SER A 40 22.235 10.190 -0.474 1.00 21.45 H new ATOM 596 N GLU A 41 18.328 7.969 -0.977 1.00 1.04 N ATOM 597 CA GLU A 41 17.049 8.442 -0.459 1.00 25.40 C ATOM 598 C GLU A 41 16.278 7.305 0.205 1.00 31.05 C ATOM 599 O GLU A 41 15.606 7.504 1.219 1.00 43.34 O ATOM 600 CB GLU A 41 16.212 9.051 -1.585 1.00 50.12 C ATOM 601 CG GLU A 41 16.518 10.516 -1.847 1.00 1.22 C ATOM 602 CD GLU A 41 15.496 11.446 -1.222 1.00 4.31 C ATOM 603 OE1 GLU A 41 14.287 11.237 -1.451 1.00 15.21 O ATOM 604 OE2 GLU A 41 15.906 12.383 -0.505 1.00 20.33 O ATOM 0 H GLU A 41 18.328 7.759 -1.975 1.00 1.04 H new ATOM 0 HA GLU A 41 17.250 9.208 0.290 1.00 25.40 H new ATOM 0 HB2 GLU A 41 16.382 8.484 -2.500 1.00 50.12 H new ATOM 0 HB3 GLU A 41 15.155 8.948 -1.338 1.00 50.12 H new ATOM 0 HG2 GLU A 41 17.507 10.753 -1.455 1.00 1.22 H new ATOM 0 HG3 GLU A 41 16.552 10.690 -2.923 1.00 1.22 H new ATOM 611 N LEU A 42 16.378 6.113 -0.372 1.00 64.02 N ATOM 612 CA LEU A 42 15.690 4.943 0.163 1.00 41.25 C ATOM 613 C LEU A 42 16.395 4.419 1.409 1.00 3.03 C ATOM 614 O LEU A 42 15.758 3.877 2.312 1.00 2.31 O ATOM 615 CB LEU A 42 15.616 3.842 -0.897 1.00 24.14 C ATOM 616 CG LEU A 42 14.879 4.200 -2.187 1.00 50.23 C ATOM 617 CD1 LEU A 42 15.346 3.315 -3.332 1.00 72.32 C ATOM 618 CD2 LEU A 42 13.375 4.076 -1.994 1.00 14.30 C ATOM 0 H LEU A 42 16.929 5.931 -1.211 1.00 64.02 H new ATOM 0 HA LEU A 42 14.679 5.241 0.439 1.00 41.25 H new ATOM 0 HB2 LEU A 42 16.633 3.544 -1.154 1.00 24.14 H new ATOM 0 HB3 LEU A 42 15.131 2.972 -0.455 1.00 24.14 H new ATOM 0 HG LEU A 42 15.109 5.235 -2.438 1.00 50.23 H new ATOM 0 HD11 LEU A 42 14.810 3.585 -4.242 1.00 72.32 H new ATOM 0 HD12 LEU A 42 16.416 3.454 -3.486 1.00 72.32 H new ATOM 0 HD13 LEU A 42 15.147 2.271 -3.090 1.00 72.32 H new ATOM 0 HD21 LEU A 42 12.866 4.335 -2.923 1.00 14.30 H new ATOM 0 HD22 LEU A 42 13.127 3.051 -1.718 1.00 14.30 H new ATOM 0 HD23 LEU A 42 13.053 4.753 -1.203 1.00 14.30 H new ATOM 630 N GLN A 43 17.713 4.586 1.452 1.00 41.41 N ATOM 631 CA GLN A 43 18.504 4.131 2.589 1.00 1.31 C ATOM 632 C GLN A 43 18.326 5.062 3.784 1.00 53.32 C ATOM 633 O GLN A 43 18.595 4.684 4.923 1.00 2.14 O ATOM 634 CB GLN A 43 19.983 4.049 2.208 1.00 23.22 C ATOM 635 CG GLN A 43 20.690 5.395 2.216 1.00 35.12 C ATOM 636 CD GLN A 43 21.498 5.622 3.478 1.00 3.11 C ATOM 637 OE1 GLN A 43 22.545 5.006 3.678 1.00 64.34 O ATOM 638 NE2 GLN A 43 21.016 6.511 4.339 1.00 41.14 N ATOM 0 H GLN A 43 18.255 5.033 0.713 1.00 41.41 H new ATOM 0 HA GLN A 43 18.152 3.138 2.870 1.00 1.31 H new ATOM 0 HB2 GLN A 43 20.491 3.377 2.900 1.00 23.22 H new ATOM 0 HB3 GLN A 43 20.070 3.609 1.215 1.00 23.22 H new ATOM 0 HG2 GLN A 43 21.349 5.460 1.350 1.00 35.12 H new ATOM 0 HG3 GLN A 43 19.951 6.190 2.114 1.00 35.12 H new ATOM 0 HE21 GLN A 43 20.144 6.999 4.134 1.00 41.14 H new ATOM 0 HE22 GLN A 43 21.518 6.706 5.206 1.00 41.14 H new ATOM 647 N ALA A 44 17.870 6.281 3.515 1.00 41.42 N ATOM 648 CA ALA A 44 17.654 7.266 4.568 1.00 62.12 C ATOM 649 C ALA A 44 16.353 6.994 5.316 1.00 65.53 C ATOM 650 O ALA A 44 16.176 7.432 6.453 1.00 63.24 O ATOM 651 CB ALA A 44 17.645 8.671 3.983 1.00 20.43 C ATOM 0 H ALA A 44 17.643 6.610 2.577 1.00 41.42 H new ATOM 0 HA ALA A 44 18.475 7.186 5.280 1.00 62.12 H new ATOM 0 HB1 ALA A 44 17.483 9.396 4.780 1.00 20.43 H new ATOM 0 HB2 ALA A 44 18.602 8.870 3.500 1.00 20.43 H new ATOM 0 HB3 ALA A 44 16.844 8.754 3.249 1.00 20.43 H new ATOM 657 N TYR A 45 15.446 6.269 4.671 1.00 64.35 N ATOM 658 CA TYR A 45 14.160 5.941 5.274 1.00 62.32 C ATOM 659 C TYR A 45 14.348 5.331 6.660 1.00 60.24 C ATOM 660 O TYR A 45 13.883 5.877 7.660 1.00 34.11 O ATOM 661 CB TYR A 45 13.386 4.972 4.379 1.00 75.03 C ATOM 662 CG TYR A 45 12.458 5.660 3.403 1.00 73.52 C ATOM 663 CD1 TYR A 45 11.518 6.584 3.842 1.00 74.15 C ATOM 664 CD2 TYR A 45 12.520 5.384 2.042 1.00 2.34 C ATOM 665 CE1 TYR A 45 10.667 7.214 2.954 1.00 42.23 C ATOM 666 CE2 TYR A 45 11.675 6.011 1.147 1.00 30.23 C ATOM 667 CZ TYR A 45 10.750 6.925 1.608 1.00 61.33 C ATOM 668 OH TYR A 45 9.905 7.550 0.719 1.00 23.24 O ATOM 0 H TYR A 45 15.578 5.897 3.730 1.00 64.35 H new ATOM 0 HA TYR A 45 13.590 6.864 5.377 1.00 62.32 H new ATOM 0 HB2 TYR A 45 14.095 4.359 3.823 1.00 75.03 H new ATOM 0 HB3 TYR A 45 12.804 4.297 5.006 1.00 75.03 H new ATOM 0 HD1 TYR A 45 11.451 6.814 4.895 1.00 74.15 H new ATOM 0 HD2 TYR A 45 13.241 4.667 1.678 1.00 2.34 H new ATOM 0 HE1 TYR A 45 9.941 7.929 3.312 1.00 42.23 H new ATOM 0 HE2 TYR A 45 11.738 5.787 0.092 1.00 30.23 H new ATOM 0 HH TYR A 45 10.095 7.235 -0.189 1.00 23.24 H new ATOM 678 N LYS A 46 15.035 4.194 6.710 1.00 14.43 N ATOM 679 CA LYS A 46 15.288 3.508 7.972 1.00 54.51 C ATOM 680 C LYS A 46 13.980 3.086 8.633 1.00 32.33 C ATOM 681 O LYS A 46 13.692 3.473 9.765 1.00 73.21 O ATOM 682 CB LYS A 46 16.081 4.413 8.918 1.00 53.22 C ATOM 683 CG LYS A 46 17.286 5.068 8.265 1.00 31.12 C ATOM 684 CD LYS A 46 18.548 4.852 9.083 1.00 44.52 C ATOM 685 CE LYS A 46 19.799 5.025 8.234 1.00 55.32 C ATOM 686 NZ LYS A 46 20.802 5.904 8.896 1.00 12.03 N ATOM 0 H LYS A 46 15.426 3.728 5.891 1.00 14.43 H new ATOM 0 HA LYS A 46 15.873 2.613 7.760 1.00 54.51 H new ATOM 0 HB2 LYS A 46 15.420 5.190 9.303 1.00 53.22 H new ATOM 0 HB3 LYS A 46 16.416 3.826 9.773 1.00 53.22 H new ATOM 0 HG2 LYS A 46 17.426 4.660 7.264 1.00 31.12 H new ATOM 0 HG3 LYS A 46 17.103 6.137 8.151 1.00 31.12 H new ATOM 0 HD2 LYS A 46 18.570 5.558 9.913 1.00 44.52 H new ATOM 0 HD3 LYS A 46 18.536 3.852 9.515 1.00 44.52 H new ATOM 0 HE2 LYS A 46 20.244 4.049 8.040 1.00 55.32 H new ATOM 0 HE3 LYS A 46 19.526 5.449 7.268 1.00 55.32 H new ATOM 0 HZ1 LYS A 46 21.639 5.997 8.286 1.00 12.03 H new ATOM 0 HZ2 LYS A 46 20.387 6.843 9.059 1.00 12.03 H new ATOM 0 HZ3 LYS A 46 21.082 5.487 9.807 1.00 12.03 H new ATOM 700 N GLY A 47 13.192 2.287 7.919 1.00 14.44 N ATOM 701 CA GLY A 47 11.925 1.824 8.454 1.00 15.54 C ATOM 702 C GLY A 47 11.900 0.324 8.670 1.00 54.23 C ATOM 703 O GLY A 47 11.588 -0.437 7.754 1.00 74.31 O ATOM 0 H GLY A 47 13.409 1.952 6.980 1.00 14.44 H new ATOM 0 HA2 GLY A 47 11.728 2.328 9.400 1.00 15.54 H new ATOM 0 HA3 GLY A 47 11.122 2.103 7.771 1.00 15.54 H new ATOM 707 N LYS A 48 12.231 -0.103 9.883 1.00 34.24 N ATOM 708 CA LYS A 48 12.246 -1.522 10.218 1.00 72.44 C ATOM 709 C LYS A 48 13.068 -2.311 9.204 1.00 64.31 C ATOM 710 O LYS A 48 12.526 -3.094 8.425 1.00 25.40 O ATOM 711 CB LYS A 48 10.818 -2.071 10.269 1.00 51.41 C ATOM 712 CG LYS A 48 10.693 -3.370 11.045 1.00 32.04 C ATOM 713 CD LYS A 48 10.601 -3.119 12.541 1.00 30.22 C ATOM 714 CE LYS A 48 10.998 -4.352 13.338 1.00 4.05 C ATOM 715 NZ LYS A 48 9.855 -5.288 13.519 1.00 34.23 N ATOM 0 H LYS A 48 12.493 0.514 10.652 1.00 34.24 H new ATOM 0 HA LYS A 48 12.707 -1.633 11.200 1.00 72.44 H new ATOM 0 HB2 LYS A 48 10.166 -1.323 10.721 1.00 51.41 H new ATOM 0 HB3 LYS A 48 10.462 -2.230 9.251 1.00 51.41 H new ATOM 0 HG2 LYS A 48 9.808 -3.911 10.711 1.00 32.04 H new ATOM 0 HG3 LYS A 48 11.553 -4.005 10.834 1.00 32.04 H new ATOM 0 HD2 LYS A 48 11.249 -2.285 12.812 1.00 30.22 H new ATOM 0 HD3 LYS A 48 9.583 -2.829 12.800 1.00 30.22 H new ATOM 0 HE2 LYS A 48 11.812 -4.867 12.828 1.00 4.05 H new ATOM 0 HE3 LYS A 48 11.376 -4.047 14.314 1.00 4.05 H new ATOM 0 HZ1 LYS A 48 10.167 -6.115 14.067 1.00 34.23 H new ATOM 0 HZ2 LYS A 48 9.088 -4.805 14.028 1.00 34.23 H new ATOM 0 HZ3 LYS A 48 9.510 -5.599 12.588 1.00 34.23 H new ATOM 729 N GLY A 49 14.381 -2.100 9.221 1.00 61.32 N ATOM 730 CA GLY A 49 15.257 -2.800 8.299 1.00 31.23 C ATOM 731 C GLY A 49 15.388 -2.086 6.969 1.00 45.02 C ATOM 732 O GLY A 49 15.747 -0.910 6.921 1.00 72.11 O ATOM 0 H GLY A 49 14.853 -1.457 9.857 1.00 61.32 H new ATOM 0 HA2 GLY A 49 16.244 -2.906 8.750 1.00 31.23 H new ATOM 0 HA3 GLY A 49 14.873 -3.806 8.131 1.00 31.23 H new ATOM 736 N ASN A 50 15.099 -2.799 5.885 1.00 3.01 N ATOM 737 CA ASN A 50 15.190 -2.226 4.547 1.00 75.31 C ATOM 738 C ASN A 50 14.818 -3.259 3.487 1.00 14.20 C ATOM 739 O ASN A 50 15.609 -3.591 2.604 1.00 35.41 O ATOM 740 CB ASN A 50 16.603 -1.700 4.289 1.00 70.52 C ATOM 741 CG ASN A 50 17.658 -2.481 5.049 1.00 51.11 C ATOM 742 OD1 ASN A 50 17.695 -3.710 4.996 1.00 34.31 O ATOM 743 ND2 ASN A 50 18.522 -1.768 5.761 1.00 5.22 N ATOM 0 H ASN A 50 14.800 -3.774 5.907 1.00 3.01 H new ATOM 0 HA ASN A 50 14.485 -1.397 4.485 1.00 75.31 H new ATOM 0 HB2 ASN A 50 16.817 -1.749 3.221 1.00 70.52 H new ATOM 0 HB3 ASN A 50 16.655 -0.650 4.576 1.00 70.52 H new ATOM 0 HD21 ASN A 50 19.254 -2.238 6.293 1.00 5.22 H new ATOM 0 HD22 ASN A 50 18.454 -0.750 5.776 1.00 5.22 H new ATOM 750 N PRO A 51 13.584 -3.779 3.575 1.00 41.54 N ATOM 751 CA PRO A 51 13.078 -4.780 2.631 1.00 43.21 C ATOM 752 C PRO A 51 12.841 -4.199 1.241 1.00 0.12 C ATOM 753 O PRO A 51 13.283 -4.762 0.240 1.00 11.32 O ATOM 754 CB PRO A 51 11.754 -5.222 3.259 1.00 42.01 C ATOM 755 CG PRO A 51 11.324 -4.064 4.091 1.00 3.33 C ATOM 756 CD PRO A 51 12.588 -3.428 4.601 1.00 22.31 C ATOM 0 HA PRO A 51 13.787 -5.594 2.481 1.00 43.21 H new ATOM 0 HB2 PRO A 51 11.013 -5.458 2.495 1.00 42.01 H new ATOM 0 HB3 PRO A 51 11.883 -6.119 3.865 1.00 42.01 H new ATOM 0 HG2 PRO A 51 10.741 -3.356 3.502 1.00 3.33 H new ATOM 0 HG3 PRO A 51 10.691 -4.390 4.916 1.00 3.33 H new ATOM 0 HD2 PRO A 51 12.481 -2.348 4.705 1.00 22.31 H new ATOM 0 HD3 PRO A 51 12.866 -3.816 5.581 1.00 22.31 H new ATOM 764 N GLU A 52 12.141 -3.070 1.188 1.00 2.12 N ATOM 765 CA GLU A 52 11.846 -2.414 -0.080 1.00 53.12 C ATOM 766 C GLU A 52 13.115 -1.841 -0.705 1.00 73.42 C ATOM 767 O GLU A 52 13.213 -1.707 -1.925 1.00 3.11 O ATOM 768 CB GLU A 52 10.817 -1.300 0.124 1.00 41.40 C ATOM 769 CG GLU A 52 11.184 -0.328 1.233 1.00 63.00 C ATOM 770 CD GLU A 52 10.799 1.102 0.907 1.00 64.01 C ATOM 771 OE1 GLU A 52 11.509 1.737 0.099 1.00 3.22 O ATOM 772 OE2 GLU A 52 9.789 1.586 1.459 1.00 63.31 O ATOM 0 H GLU A 52 11.768 -2.591 2.008 1.00 2.12 H new ATOM 0 HA GLU A 52 11.433 -3.161 -0.758 1.00 53.12 H new ATOM 0 HB2 GLU A 52 10.702 -0.748 -0.809 1.00 41.40 H new ATOM 0 HB3 GLU A 52 9.849 -1.748 0.350 1.00 41.40 H new ATOM 0 HG2 GLU A 52 10.690 -0.632 2.156 1.00 63.00 H new ATOM 0 HG3 GLU A 52 12.258 -0.379 1.415 1.00 63.00 H new ATOM 779 N VAL A 53 14.084 -1.505 0.140 1.00 31.11 N ATOM 780 CA VAL A 53 15.347 -0.948 -0.328 1.00 42.50 C ATOM 781 C VAL A 53 16.250 -2.035 -0.899 1.00 71.22 C ATOM 782 O VAL A 53 17.168 -1.752 -1.668 1.00 72.43 O ATOM 783 CB VAL A 53 16.093 -0.219 0.805 1.00 25.15 C ATOM 784 CG1 VAL A 53 17.243 0.604 0.245 1.00 24.13 C ATOM 785 CG2 VAL A 53 15.135 0.658 1.596 1.00 12.14 C ATOM 0 H VAL A 53 14.018 -1.609 1.153 1.00 31.11 H new ATOM 0 HA VAL A 53 15.105 -0.232 -1.113 1.00 42.50 H new ATOM 0 HB VAL A 53 16.508 -0.966 1.482 1.00 25.15 H new ATOM 0 HG11 VAL A 53 17.758 1.112 1.061 1.00 24.13 H new ATOM 0 HG12 VAL A 53 17.942 -0.053 -0.273 1.00 24.13 H new ATOM 0 HG13 VAL A 53 16.854 1.344 -0.455 1.00 24.13 H new ATOM 0 HG21 VAL A 53 15.679 1.165 2.392 1.00 12.14 H new ATOM 0 HG22 VAL A 53 14.688 1.399 0.933 1.00 12.14 H new ATOM 0 HG23 VAL A 53 14.350 0.039 2.030 1.00 12.14 H new ATOM 795 N GLU A 54 15.982 -3.280 -0.518 1.00 33.14 N ATOM 796 CA GLU A 54 16.771 -4.411 -0.992 1.00 51.43 C ATOM 797 C GLU A 54 16.766 -4.476 -2.517 1.00 1.50 C ATOM 798 O GLU A 54 17.820 -4.473 -3.152 1.00 61.11 O ATOM 799 CB GLU A 54 16.228 -5.719 -0.414 1.00 1.14 C ATOM 800 CG GLU A 54 16.484 -5.878 1.076 1.00 55.22 C ATOM 801 CD GLU A 54 17.025 -7.249 1.432 1.00 43.42 C ATOM 802 OE1 GLU A 54 16.405 -8.255 1.030 1.00 62.12 O ATOM 803 OE2 GLU A 54 18.070 -7.314 2.112 1.00 24.35 O ATOM 0 H GLU A 54 15.225 -3.531 0.117 1.00 33.14 H new ATOM 0 HA GLU A 54 17.798 -4.272 -0.654 1.00 51.43 H new ATOM 0 HB2 GLU A 54 15.155 -5.770 -0.597 1.00 1.14 H new ATOM 0 HB3 GLU A 54 16.682 -6.557 -0.944 1.00 1.14 H new ATOM 0 HG2 GLU A 54 17.192 -5.116 1.403 1.00 55.22 H new ATOM 0 HG3 GLU A 54 15.556 -5.705 1.621 1.00 55.22 H new ATOM 810 N ALA A 55 15.572 -4.534 -3.097 1.00 72.01 N ATOM 811 CA ALA A 55 15.429 -4.598 -4.546 1.00 72.22 C ATOM 812 C ALA A 55 15.958 -3.330 -5.207 1.00 3.12 C ATOM 813 O ALA A 55 16.753 -3.392 -6.146 1.00 11.10 O ATOM 814 CB ALA A 55 13.972 -4.823 -4.923 1.00 61.44 C ATOM 0 H ALA A 55 14.690 -4.538 -2.585 1.00 72.01 H new ATOM 0 HA ALA A 55 16.021 -5.439 -4.908 1.00 72.22 H new ATOM 0 HB1 ALA A 55 13.880 -4.869 -6.008 1.00 61.44 H new ATOM 0 HB2 ALA A 55 13.625 -5.761 -4.489 1.00 61.44 H new ATOM 0 HB3 ALA A 55 13.366 -4.001 -4.542 1.00 61.44 H new ATOM 820 N LEU A 56 15.513 -2.180 -4.711 1.00 61.54 N ATOM 821 CA LEU A 56 15.942 -0.896 -5.254 1.00 71.14 C ATOM 822 C LEU A 56 17.464 -0.791 -5.268 1.00 35.24 C ATOM 823 O LEU A 56 18.057 -0.351 -6.252 1.00 53.53 O ATOM 824 CB LEU A 56 15.347 0.250 -4.435 1.00 3.43 C ATOM 825 CG LEU A 56 13.832 0.429 -4.532 1.00 11.42 C ATOM 826 CD1 LEU A 56 13.263 0.896 -3.201 1.00 21.44 C ATOM 827 CD2 LEU A 56 13.481 1.414 -5.638 1.00 31.21 C ATOM 0 H LEU A 56 14.856 -2.111 -3.934 1.00 61.54 H new ATOM 0 HA LEU A 56 15.583 -0.825 -6.281 1.00 71.14 H new ATOM 0 HB2 LEU A 56 15.608 0.095 -3.388 1.00 3.43 H new ATOM 0 HB3 LEU A 56 15.823 1.179 -4.748 1.00 3.43 H new ATOM 0 HG LEU A 56 13.387 -0.536 -4.776 1.00 11.42 H new ATOM 0 HD11 LEU A 56 12.183 1.018 -3.289 1.00 21.44 H new ATOM 0 HD12 LEU A 56 13.483 0.156 -2.432 1.00 21.44 H new ATOM 0 HD13 LEU A 56 13.714 1.849 -2.927 1.00 21.44 H new ATOM 0 HD21 LEU A 56 12.398 1.529 -5.693 1.00 31.21 H new ATOM 0 HD22 LEU A 56 13.938 2.380 -5.424 1.00 31.21 H new ATOM 0 HD23 LEU A 56 13.855 1.039 -6.591 1.00 31.21 H new ATOM 839 N ARG A 57 18.089 -1.201 -4.169 1.00 43.01 N ATOM 840 CA ARG A 57 19.542 -1.154 -4.055 1.00 10.02 C ATOM 841 C ARG A 57 20.198 -2.076 -5.078 1.00 70.50 C ATOM 842 O ARG A 57 21.179 -1.707 -5.724 1.00 73.44 O ATOM 843 CB ARG A 57 19.977 -1.550 -2.643 1.00 12.04 C ATOM 844 CG ARG A 57 19.972 -0.393 -1.657 1.00 32.12 C ATOM 845 CD ARG A 57 20.403 -0.841 -0.269 1.00 65.54 C ATOM 846 NE ARG A 57 21.806 -1.247 -0.237 1.00 2.41 N ATOM 847 CZ ARG A 57 22.464 -1.530 0.882 1.00 35.21 C ATOM 848 NH1 ARG A 57 21.848 -1.454 2.054 1.00 40.21 N ATOM 849 NH2 ARG A 57 23.739 -1.892 0.830 1.00 1.22 N ATOM 0 H ARG A 57 17.613 -1.569 -3.346 1.00 43.01 H new ATOM 0 HA ARG A 57 19.864 -0.132 -4.254 1.00 10.02 H new ATOM 0 HB2 ARG A 57 19.315 -2.333 -2.274 1.00 12.04 H new ATOM 0 HB3 ARG A 57 20.980 -1.975 -2.687 1.00 12.04 H new ATOM 0 HG2 ARG A 57 20.641 0.391 -2.011 1.00 32.12 H new ATOM 0 HG3 ARG A 57 18.973 0.039 -1.607 1.00 32.12 H new ATOM 0 HD2 ARG A 57 20.244 -0.028 0.440 1.00 65.54 H new ATOM 0 HD3 ARG A 57 19.777 -1.673 0.054 1.00 65.54 H new ATOM 0 HE ARG A 57 22.308 -1.317 -1.122 1.00 2.41 H new ATOM 0 HH11 ARG A 57 20.867 -1.178 2.098 1.00 40.21 H new ATOM 0 HH12 ARG A 57 22.355 -1.672 2.912 1.00 40.21 H new ATOM 0 HH21 ARG A 57 24.215 -1.953 -0.070 1.00 1.22 H new ATOM 0 HH22 ARG A 57 24.243 -2.109 1.690 1.00 1.22 H new ATOM 863 N LYS A 58 19.650 -3.279 -5.220 1.00 3.23 N ATOM 864 CA LYS A 58 20.180 -4.255 -6.164 1.00 63.01 C ATOM 865 C LYS A 58 20.202 -3.687 -7.580 1.00 12.25 C ATOM 866 O LYS A 58 21.251 -3.632 -8.220 1.00 2.04 O ATOM 867 CB LYS A 58 19.343 -5.535 -6.130 1.00 33.32 C ATOM 868 CG LYS A 58 20.175 -6.806 -6.102 1.00 14.22 C ATOM 869 CD LYS A 58 20.064 -7.574 -7.408 1.00 54.01 C ATOM 870 CE LYS A 58 21.384 -8.229 -7.783 1.00 70.33 C ATOM 871 NZ LYS A 58 21.235 -9.696 -7.995 1.00 0.23 N ATOM 0 H LYS A 58 18.838 -3.601 -4.693 1.00 3.23 H new ATOM 0 HA LYS A 58 21.203 -4.489 -5.869 1.00 63.01 H new ATOM 0 HB2 LYS A 58 18.698 -5.514 -5.252 1.00 33.32 H new ATOM 0 HB3 LYS A 58 18.692 -5.556 -7.004 1.00 33.32 H new ATOM 0 HG2 LYS A 58 21.219 -6.555 -5.914 1.00 14.22 H new ATOM 0 HG3 LYS A 58 19.846 -7.439 -5.278 1.00 14.22 H new ATOM 0 HD2 LYS A 58 19.291 -8.337 -7.318 1.00 54.01 H new ATOM 0 HD3 LYS A 58 19.753 -6.897 -8.204 1.00 54.01 H new ATOM 0 HE2 LYS A 58 21.773 -7.768 -8.691 1.00 70.33 H new ATOM 0 HE3 LYS A 58 22.116 -8.048 -6.996 1.00 70.33 H new ATOM 0 HZ1 LYS A 58 22.157 -10.105 -8.249 1.00 0.23 H new ATOM 0 HZ2 LYS A 58 20.888 -10.140 -7.121 1.00 0.23 H new ATOM 0 HZ3 LYS A 58 20.556 -9.868 -8.764 1.00 0.23 H new ATOM 885 N GLU A 59 19.037 -3.264 -8.061 1.00 33.25 N ATOM 886 CA GLU A 59 18.924 -2.699 -9.400 1.00 73.52 C ATOM 887 C GLU A 59 19.865 -1.511 -9.571 1.00 5.12 C ATOM 888 O GLU A 59 20.660 -1.465 -10.509 1.00 63.01 O ATOM 889 CB GLU A 59 17.482 -2.266 -9.675 1.00 4.30 C ATOM 890 CG GLU A 59 16.681 -3.285 -10.467 1.00 53.44 C ATOM 891 CD GLU A 59 15.188 -3.023 -10.412 1.00 41.03 C ATOM 892 OE1 GLU A 59 14.596 -3.186 -9.325 1.00 42.10 O ATOM 893 OE2 GLU A 59 14.612 -2.655 -11.458 1.00 1.24 O ATOM 0 H GLU A 59 18.159 -3.302 -7.543 1.00 33.25 H new ATOM 0 HA GLU A 59 19.207 -3.470 -10.117 1.00 73.52 H new ATOM 0 HB2 GLU A 59 16.980 -2.080 -8.725 1.00 4.30 H new ATOM 0 HB3 GLU A 59 17.493 -1.322 -10.220 1.00 4.30 H new ATOM 0 HG2 GLU A 59 17.010 -3.273 -11.506 1.00 53.44 H new ATOM 0 HG3 GLU A 59 16.886 -4.283 -10.080 1.00 53.44 H new ATOM 900 N ALA A 60 19.769 -0.551 -8.657 1.00 31.02 N ATOM 901 CA ALA A 60 20.612 0.637 -8.704 1.00 61.15 C ATOM 902 C ALA A 60 22.084 0.261 -8.841 1.00 75.51 C ATOM 903 O ALA A 60 22.781 0.756 -9.726 1.00 30.41 O ATOM 904 CB ALA A 60 20.396 1.488 -7.462 1.00 22.33 C ATOM 0 H ALA A 60 19.115 -0.573 -7.874 1.00 31.02 H new ATOM 0 HA ALA A 60 20.329 1.218 -9.582 1.00 61.15 H new ATOM 0 HB1 ALA A 60 21.032 2.372 -7.511 1.00 22.33 H new ATOM 0 HB2 ALA A 60 19.352 1.795 -7.409 1.00 22.33 H new ATOM 0 HB3 ALA A 60 20.649 0.908 -6.575 1.00 22.33 H new ATOM 910 N ALA A 61 22.549 -0.618 -7.959 1.00 3.40 N ATOM 911 CA ALA A 61 23.938 -1.061 -7.982 1.00 74.05 C ATOM 912 C ALA A 61 24.313 -1.618 -9.352 1.00 11.14 C ATOM 913 O ALA A 61 25.375 -1.306 -9.889 1.00 23.31 O ATOM 914 CB ALA A 61 24.176 -2.105 -6.902 1.00 64.41 C ATOM 0 H ALA A 61 21.985 -1.037 -7.220 1.00 3.40 H new ATOM 0 HA ALA A 61 24.573 -0.198 -7.783 1.00 74.05 H new ATOM 0 HB1 ALA A 61 25.217 -2.427 -6.930 1.00 64.41 H new ATOM 0 HB2 ALA A 61 23.956 -1.675 -5.925 1.00 64.41 H new ATOM 0 HB3 ALA A 61 23.526 -2.963 -7.075 1.00 64.41 H new ATOM 920 N ALA A 62 23.434 -2.444 -9.910 1.00 45.03 N ATOM 921 CA ALA A 62 23.674 -3.043 -11.217 1.00 74.24 C ATOM 922 C ALA A 62 23.855 -1.972 -12.288 1.00 35.05 C ATOM 923 O ALA A 62 24.769 -2.050 -13.108 1.00 41.14 O ATOM 924 CB ALA A 62 22.529 -3.975 -11.588 1.00 41.43 C ATOM 0 H ALA A 62 22.550 -2.713 -9.478 1.00 45.03 H new ATOM 0 HA ALA A 62 24.596 -3.622 -11.160 1.00 74.24 H new ATOM 0 HB1 ALA A 62 22.721 -4.416 -12.566 1.00 41.43 H new ATOM 0 HB2 ALA A 62 22.448 -4.767 -10.843 1.00 41.43 H new ATOM 0 HB3 ALA A 62 21.597 -3.411 -11.621 1.00 41.43 H new ATOM 930 N ILE A 63 22.978 -0.974 -12.273 1.00 54.11 N ATOM 931 CA ILE A 63 23.042 0.113 -13.243 1.00 32.35 C ATOM 932 C ILE A 63 24.368 0.859 -13.145 1.00 62.21 C ATOM 933 O ILE A 63 24.996 1.165 -14.159 1.00 30.50 O ATOM 934 CB ILE A 63 21.887 1.113 -13.044 1.00 64.25 C ATOM 935 CG1 ILE A 63 20.539 0.401 -13.173 1.00 22.25 C ATOM 936 CG2 ILE A 63 21.991 2.248 -14.052 1.00 61.33 C ATOM 937 CD1 ILE A 63 19.381 1.195 -12.612 1.00 55.40 C ATOM 0 H ILE A 63 22.215 -0.895 -11.600 1.00 54.11 H new ATOM 0 HA ILE A 63 22.954 -0.339 -14.231 1.00 32.35 H new ATOM 0 HB ILE A 63 21.959 1.535 -12.041 1.00 64.25 H new ATOM 0 HG12 ILE A 63 20.348 0.189 -14.225 1.00 22.25 H new ATOM 0 HG13 ILE A 63 20.594 -0.559 -12.660 1.00 22.25 H new ATOM 0 HG21 ILE A 63 21.168 2.947 -13.899 1.00 61.33 H new ATOM 0 HG22 ILE A 63 22.939 2.769 -13.917 1.00 61.33 H new ATOM 0 HG23 ILE A 63 21.940 1.843 -15.063 1.00 61.33 H new ATOM 0 HD11 ILE A 63 18.458 0.630 -12.737 1.00 55.40 H new ATOM 0 HD12 ILE A 63 19.549 1.384 -11.552 1.00 55.40 H new ATOM 0 HD13 ILE A 63 19.300 2.144 -13.142 1.00 55.40 H new ATOM 949 N ARG A 64 24.790 1.147 -11.918 1.00 53.32 N ATOM 950 CA ARG A 64 26.042 1.857 -11.688 1.00 2.01 C ATOM 951 C ARG A 64 27.224 1.070 -12.248 1.00 53.51 C ATOM 952 O ARG A 64 28.092 1.629 -12.918 1.00 43.14 O ATOM 953 CB ARG A 64 26.245 2.106 -10.192 1.00 74.31 C ATOM 954 CG ARG A 64 27.515 2.876 -9.869 1.00 74.30 C ATOM 955 CD ARG A 64 28.143 2.395 -8.570 1.00 73.44 C ATOM 956 NE ARG A 64 28.880 1.147 -8.748 1.00 63.35 N ATOM 957 CZ ARG A 64 29.533 0.532 -7.768 1.00 50.51 C ATOM 958 NH1 ARG A 64 29.539 1.048 -6.546 1.00 70.25 N ATOM 959 NH2 ARG A 64 30.181 -0.600 -8.009 1.00 20.24 N ATOM 0 H ARG A 64 24.283 0.899 -11.068 1.00 53.32 H new ATOM 0 HA ARG A 64 25.987 2.815 -12.205 1.00 2.01 H new ATOM 0 HB2 ARG A 64 25.388 2.657 -9.805 1.00 74.31 H new ATOM 0 HB3 ARG A 64 26.269 1.148 -9.673 1.00 74.31 H new ATOM 0 HG2 ARG A 64 28.229 2.760 -10.684 1.00 74.30 H new ATOM 0 HG3 ARG A 64 27.288 3.939 -9.793 1.00 74.30 H new ATOM 0 HD2 ARG A 64 28.816 3.162 -8.187 1.00 73.44 H new ATOM 0 HD3 ARG A 64 27.364 2.252 -7.822 1.00 73.44 H new ATOM 0 HE ARG A 64 28.894 0.724 -9.676 1.00 63.35 H new ATOM 0 HH11 ARG A 64 29.042 1.918 -6.357 1.00 70.25 H new ATOM 0 HH12 ARG A 64 30.041 0.574 -5.795 1.00 70.25 H new ATOM 0 HH21 ARG A 64 30.178 -0.999 -8.948 1.00 20.24 H new ATOM 0 HH22 ARG A 64 30.682 -1.071 -7.256 1.00 20.24 H new ATOM 973 N ASP A 65 27.249 -0.228 -11.968 1.00 43.22 N ATOM 974 CA ASP A 65 28.324 -1.092 -12.444 1.00 55.43 C ATOM 975 C ASP A 65 28.396 -1.079 -13.968 1.00 41.10 C ATOM 976 O ASP A 65 29.479 -0.995 -14.546 1.00 61.21 O ATOM 977 CB ASP A 65 28.117 -2.522 -11.943 1.00 50.30 C ATOM 978 CG ASP A 65 28.421 -2.667 -10.465 1.00 11.31 C ATOM 979 OD1 ASP A 65 29.584 -2.438 -10.074 1.00 24.24 O ATOM 980 OD2 ASP A 65 27.495 -3.010 -9.699 1.00 44.53 O ATOM 0 H ASP A 65 26.538 -0.705 -11.414 1.00 43.22 H new ATOM 0 HA ASP A 65 29.266 -0.710 -12.050 1.00 55.43 H new ATOM 0 HB2 ASP A 65 27.087 -2.824 -12.130 1.00 50.30 H new ATOM 0 HB3 ASP A 65 28.756 -3.199 -12.511 1.00 50.30 H new ATOM 985 N GLU A 66 27.236 -1.164 -14.611 1.00 51.35 N ATOM 986 CA GLU A 66 27.169 -1.164 -16.068 1.00 42.11 C ATOM 987 C GLU A 66 27.733 0.134 -16.639 1.00 13.43 C ATOM 988 O GLU A 66 28.568 0.116 -17.544 1.00 0.24 O ATOM 989 CB GLU A 66 25.724 -1.354 -16.535 1.00 25.33 C ATOM 990 CG GLU A 66 25.062 -2.600 -15.971 1.00 61.33 C ATOM 991 CD GLU A 66 23.601 -2.381 -15.630 1.00 1.53 C ATOM 992 OE1 GLU A 66 22.982 -1.473 -16.224 1.00 22.31 O ATOM 993 OE2 GLU A 66 23.077 -3.117 -14.768 1.00 11.23 O ATOM 0 H GLU A 66 26.330 -1.234 -14.147 1.00 51.35 H new ATOM 0 HA GLU A 66 27.773 -1.994 -16.433 1.00 42.11 H new ATOM 0 HB2 GLU A 66 25.140 -0.480 -16.247 1.00 25.33 H new ATOM 0 HB3 GLU A 66 25.706 -1.404 -17.624 1.00 25.33 H new ATOM 0 HG2 GLU A 66 25.145 -3.410 -16.695 1.00 61.33 H new ATOM 0 HG3 GLU A 66 25.597 -2.917 -15.076 1.00 61.33 H new ATOM 1000 N CYS A 67 27.269 1.259 -16.104 1.00 64.40 N ATOM 1001 CA CYS A 67 27.725 2.567 -16.560 1.00 64.12 C ATOM 1002 C CYS A 67 29.239 2.692 -16.426 1.00 5.23 C ATOM 1003 O CYS A 67 29.903 3.261 -17.292 1.00 5.45 O ATOM 1004 CB CYS A 67 27.037 3.676 -15.764 1.00 11.22 C ATOM 1005 SG CYS A 67 25.263 3.823 -16.084 1.00 45.22 S ATOM 0 H CYS A 67 26.578 1.291 -15.355 1.00 64.40 H new ATOM 0 HA CYS A 67 27.462 2.669 -17.613 1.00 64.12 H new ATOM 0 HB2 CYS A 67 27.189 3.493 -14.700 1.00 11.22 H new ATOM 0 HB3 CYS A 67 27.517 4.627 -15.996 1.00 11.22 H new ATOM 0 HG CYS A 67 24.624 2.912 -15.412 1.00 45.22 H new ATOM 1011 N GLN A 68 29.778 2.158 -15.334 1.00 54.21 N ATOM 1012 CA GLN A 68 31.213 2.213 -15.086 1.00 23.24 C ATOM 1013 C GLN A 68 31.969 1.311 -16.056 1.00 55.15 C ATOM 1014 O GLN A 68 33.095 1.613 -16.451 1.00 34.43 O ATOM 1015 CB GLN A 68 31.519 1.800 -13.645 1.00 10.12 C ATOM 1016 CG GLN A 68 30.965 2.762 -12.606 1.00 23.11 C ATOM 1017 CD GLN A 68 31.748 4.058 -12.535 1.00 50.20 C ATOM 1018 OE1 GLN A 68 31.778 4.832 -13.493 1.00 23.33 O ATOM 1019 NE2 GLN A 68 32.387 4.303 -11.397 1.00 14.02 N ATOM 0 H GLN A 68 29.242 1.683 -14.608 1.00 54.21 H new ATOM 0 HA GLN A 68 31.543 3.240 -15.241 1.00 23.24 H new ATOM 0 HB2 GLN A 68 31.107 0.807 -13.465 1.00 10.12 H new ATOM 0 HB3 GLN A 68 32.599 1.725 -13.519 1.00 10.12 H new ATOM 0 HG2 GLN A 68 29.924 2.983 -12.840 1.00 23.11 H new ATOM 0 HG3 GLN A 68 30.977 2.281 -11.628 1.00 23.11 H new ATOM 0 HE21 GLN A 68 32.335 3.634 -10.629 1.00 14.02 H new ATOM 0 HE22 GLN A 68 32.930 5.160 -11.291 1.00 14.02 H new ATOM 1028 N ALA A 69 31.341 0.203 -16.438 1.00 11.43 N ATOM 1029 CA ALA A 69 31.953 -0.741 -17.364 1.00 20.34 C ATOM 1030 C ALA A 69 31.834 -0.254 -18.804 1.00 34.23 C ATOM 1031 O ALA A 69 32.390 -0.858 -19.722 1.00 14.14 O ATOM 1032 CB ALA A 69 31.316 -2.115 -17.214 1.00 53.24 C ATOM 0 H ALA A 69 30.409 -0.062 -16.120 1.00 11.43 H new ATOM 0 HA ALA A 69 33.013 -0.815 -17.121 1.00 20.34 H new ATOM 0 HB1 ALA A 69 31.783 -2.810 -17.912 1.00 53.24 H new ATOM 0 HB2 ALA A 69 31.459 -2.473 -16.194 1.00 53.24 H new ATOM 0 HB3 ALA A 69 30.249 -2.047 -17.428 1.00 53.24 H new ATOM 1038 N TYR A 70 31.105 0.840 -18.995 1.00 21.14 N ATOM 1039 CA TYR A 70 30.910 1.406 -20.324 1.00 42.11 C ATOM 1040 C TYR A 70 31.782 2.642 -20.523 1.00 0.31 C ATOM 1041 O TYR A 70 32.298 2.882 -21.614 1.00 43.44 O ATOM 1042 CB TYR A 70 29.439 1.766 -20.537 1.00 50.33 C ATOM 1043 CG TYR A 70 28.507 0.578 -20.458 1.00 41.22 C ATOM 1044 CD1 TYR A 70 28.921 -0.683 -20.868 1.00 70.13 C ATOM 1045 CD2 TYR A 70 27.213 0.717 -19.972 1.00 52.02 C ATOM 1046 CE1 TYR A 70 28.073 -1.771 -20.798 1.00 54.04 C ATOM 1047 CE2 TYR A 70 26.358 -0.366 -19.897 1.00 51.33 C ATOM 1048 CZ TYR A 70 26.792 -1.607 -20.312 1.00 63.40 C ATOM 1049 OH TYR A 70 25.945 -2.689 -20.239 1.00 54.15 O ATOM 0 H TYR A 70 30.639 1.352 -18.246 1.00 21.14 H new ATOM 0 HA TYR A 70 31.203 0.655 -21.058 1.00 42.11 H new ATOM 0 HB2 TYR A 70 29.142 2.501 -19.789 1.00 50.33 H new ATOM 0 HB3 TYR A 70 29.327 2.241 -21.512 1.00 50.33 H new ATOM 0 HD1 TYR A 70 29.923 -0.815 -21.248 1.00 70.13 H new ATOM 0 HD2 TYR A 70 26.869 1.688 -19.647 1.00 52.02 H new ATOM 0 HE1 TYR A 70 28.411 -2.744 -21.122 1.00 54.04 H new ATOM 0 HE2 TYR A 70 25.355 -0.241 -19.515 1.00 51.33 H new ATOM 0 HH TYR A 70 25.081 -2.404 -19.874 1.00 54.15 H new ATOM 1059 N ARG A 71 31.942 3.423 -19.459 1.00 74.12 N ATOM 1060 CA ARG A 71 32.750 4.635 -19.515 1.00 60.15 C ATOM 1061 C ARG A 71 33.663 4.737 -18.297 1.00 35.33 C ATOM 1062 O ARG A 71 33.815 5.809 -17.710 1.00 64.23 O ATOM 1063 CB ARG A 71 31.851 5.870 -19.597 1.00 71.13 C ATOM 1064 CG ARG A 71 32.384 6.951 -20.524 1.00 34.42 C ATOM 1065 CD ARG A 71 31.361 8.056 -20.736 1.00 1.21 C ATOM 1066 NE ARG A 71 31.611 8.805 -21.965 1.00 22.42 N ATOM 1067 CZ ARG A 71 31.015 9.955 -22.259 1.00 71.51 C ATOM 1068 NH1 ARG A 71 30.139 10.485 -21.417 1.00 52.34 N ATOM 1069 NH2 ARG A 71 31.295 10.576 -23.397 1.00 40.25 N ATOM 0 H ARG A 71 31.523 3.238 -18.548 1.00 74.12 H new ATOM 0 HA ARG A 71 33.371 4.586 -20.410 1.00 60.15 H new ATOM 0 HB2 ARG A 71 30.861 5.566 -19.938 1.00 71.13 H new ATOM 0 HB3 ARG A 71 31.730 6.288 -18.598 1.00 71.13 H new ATOM 0 HG2 ARG A 71 33.297 7.374 -20.105 1.00 34.42 H new ATOM 0 HG3 ARG A 71 32.649 6.510 -21.485 1.00 34.42 H new ATOM 0 HD2 ARG A 71 30.362 7.623 -20.773 1.00 1.21 H new ATOM 0 HD3 ARG A 71 31.382 8.737 -19.886 1.00 1.21 H new ATOM 0 HE ARG A 71 32.280 8.424 -22.634 1.00 22.42 H new ATOM 0 HH11 ARG A 71 29.921 10.010 -20.541 1.00 52.34 H new ATOM 0 HH12 ARG A 71 29.683 11.368 -21.645 1.00 52.34 H new ATOM 0 HH21 ARG A 71 31.968 10.170 -24.047 1.00 40.25 H new ATOM 0 HH22 ARG A 71 30.837 11.459 -23.622 1.00 40.25 H new ATOM 1083 N HIS A 72 34.266 3.614 -17.920 1.00 64.15 N ATOM 1084 CA HIS A 72 35.164 3.577 -16.771 1.00 61.44 C ATOM 1085 C HIS A 72 35.779 2.190 -16.607 1.00 41.12 C ATOM 1086 O HIS A 72 36.040 1.745 -15.491 1.00 34.55 O ATOM 1087 CB HIS A 72 34.413 3.968 -15.498 1.00 44.43 C ATOM 1088 CG HIS A 72 35.119 5.008 -14.683 1.00 30.22 C ATOM 1089 ND1 HIS A 72 35.530 6.218 -15.199 1.00 45.25 N ATOM 1090 CD2 HIS A 72 35.484 5.013 -13.379 1.00 40.14 C ATOM 1091 CE1 HIS A 72 36.120 6.922 -14.250 1.00 14.44 C ATOM 1092 NE2 HIS A 72 36.104 6.214 -13.135 1.00 61.31 N ATOM 0 H HIS A 72 34.149 2.718 -18.393 1.00 64.15 H new ATOM 0 HA HIS A 72 35.967 4.293 -16.945 1.00 61.44 H new ATOM 0 HB2 HIS A 72 33.424 4.339 -15.768 1.00 44.43 H new ATOM 0 HB3 HIS A 72 34.263 3.078 -14.886 1.00 44.43 H new ATOM 0 HD1 HIS A 72 35.399 6.522 -16.164 1.00 45.25 H new ATOM 0 HD2 HIS A 72 35.318 4.220 -12.664 1.00 40.14 H new ATOM 0 HE1 HIS A 72 36.544 7.909 -14.366 1.00 14.44 H new ATOM 1100 N ASN A 73 36.008 1.513 -17.728 1.00 33.12 N ATOM 1101 CA ASN A 73 36.591 0.176 -17.708 1.00 11.33 C ATOM 1102 C ASN A 73 37.480 -0.048 -18.927 1.00 55.13 C ATOM 1103 O ASN A 73 38.294 0.805 -19.279 1.00 54.44 O ATOM 1104 CB ASN A 73 35.488 -0.883 -17.665 1.00 30.35 C ATOM 1105 CG ASN A 73 36.006 -2.270 -17.993 1.00 74.32 C ATOM 1106 OD1 ASN A 73 36.975 -2.741 -17.397 1.00 51.54 O ATOM 1107 ND2 ASN A 73 35.360 -2.932 -18.946 1.00 73.30 N ATOM 0 H ASN A 73 35.799 1.868 -18.661 1.00 33.12 H new ATOM 0 HA ASN A 73 37.205 0.088 -16.812 1.00 11.33 H new ATOM 0 HB2 ASN A 73 35.035 -0.892 -16.674 1.00 30.35 H new ATOM 0 HB3 ASN A 73 34.703 -0.615 -18.372 1.00 30.35 H new ATOM 0 HD21 ASN A 73 35.662 -3.870 -19.210 1.00 73.30 H new ATOM 0 HD22 ASN A 73 34.562 -2.503 -19.414 1.00 73.30 H new TER 1114 ASN A 73