USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 567 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 57 LYS NZ :NH3+ 156:sc= 1.25 (180deg=0) USER MOD Set 1.2: A 60 ASN : amide:sc= 1.24 K(o=2.5,f=-5.5!) USER MOD Set 2.1: A 50 GLN : amide:sc= -0.933 K(o=-1.5,f=-6.1!) USER MOD Set 2.2: A 51 ASN : amide:sc= -0.572 X(o=-1.5,f=-1.7) USER MOD Set 2.3: A 54 MET CE :methyl -178:sc= 0 (180deg=-0.00435) USER MOD Set 3.1: A 6 MET CE :methyl -171:sc= -0.0159 (180deg=-0.155) USER MOD Set 3.2: A 8 TYR OH : rot 60:sc= 0.421 USER MOD Set 3.3: A 44 GLN : amide:sc= 0.761 K(o=1.2,f=-2.6!) USER MOD Set 4.1: A 9 THR OG1 : rot 180:sc=-0.00273 USER MOD Set 4.2: A 12 GLN : amide:sc= 1.2 K(o=1.2,f=-5.5!) USER MOD Single : A 7 THR OG1 : rot 38:sc= 0.363 USER MOD Single : A 11 TYR OH : rot -13:sc= 1.26 USER MOD Single : A 13 THR OG1 : rot 80:sc= 1.12 USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 1.02 (180deg=0.86) USER MOD Single : A 21 HIS : no HE2:sc= 0.394 K(o=0.39,f=-3.2!) USER MOD Single : A 23 ASN : amide:sc= 0.808 K(o=0.81,f=-5.6!) USER MOD Single : A 25 TYR OH : rot 30:sc= 1.05 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.081 USER MOD Single : A 36 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.42) USER MOD Single : A 39 SER OG : rot -41:sc= 0.59 USER MOD Single : A 41 THR OG1 : rot -28:sc= 2.65 USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0168) USER MOD Single : A 55 LYS NZ :NH3+ -172:sc= -1.23! (180deg=-1.58!) USER MOD Single : A 58 LYS NZ :NH3+ -142:sc= 2.15 (180deg=0.0318) USER MOD Single : A 61 LYS NZ :NH3+ 179:sc= 0.189 (180deg=0.0488) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -135:sc= 2.18 (180deg=0.00203) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 5.455 8.415 11.744 1.00 5.81 N ATOM 2 CA MET A 6 4.094 8.675 11.244 1.00 4.13 C ATOM 3 C MET A 6 3.323 7.359 11.306 1.00 3.61 C ATOM 4 O MET A 6 3.784 6.475 12.025 1.00 4.50 O ATOM 5 CB MET A 6 4.100 9.375 9.876 1.00 4.04 C ATOM 6 CG MET A 6 4.556 8.499 8.699 1.00 5.50 C ATOM 7 SD MET A 6 4.850 9.389 7.147 1.00 6.89 S ATOM 8 CE MET A 6 3.280 10.258 6.928 1.00 7.41 C ATOM 0 HA MET A 6 3.572 9.395 11.874 1.00 4.13 H new ATOM 0 HB2 MET A 6 3.095 9.742 9.668 1.00 4.04 H new ATOM 0 HB3 MET A 6 4.752 10.247 9.934 1.00 4.04 H new ATOM 0 HG2 MET A 6 5.473 7.984 8.984 1.00 5.50 H new ATOM 0 HG3 MET A 6 3.801 7.732 8.523 1.00 5.50 H new ATOM 0 HE1 MET A 6 3.253 10.717 5.940 1.00 7.41 H new ATOM 0 HE2 MET A 6 2.456 9.550 7.022 1.00 7.41 H new ATOM 0 HE3 MET A 6 3.183 11.031 7.690 1.00 7.41 H new ATOM 18 N THR A 7 2.195 7.221 10.608 1.00 2.61 N ATOM 19 CA THR A 7 1.340 6.044 10.686 1.00 2.14 C ATOM 20 C THR A 7 0.483 5.966 9.418 1.00 1.92 C ATOM 21 O THR A 7 0.806 6.616 8.421 1.00 2.57 O ATOM 22 CB THR A 7 0.526 6.064 11.997 1.00 2.21 C ATOM 23 OG1 THR A 7 -0.196 4.856 12.142 1.00 3.50 O ATOM 24 CG2 THR A 7 -0.443 7.250 12.077 1.00 1.95 C ATOM 0 H THR A 7 1.849 7.934 9.966 1.00 2.61 H new ATOM 0 HA THR A 7 1.933 5.130 10.723 1.00 2.14 H new ATOM 0 HB THR A 7 1.245 6.173 12.809 1.00 2.21 H new ATOM 0 HG1 THR A 7 0.349 4.108 11.819 1.00 3.50 H new ATOM 0 HG21 THR A 7 -0.988 7.212 13.020 1.00 1.95 H new ATOM 0 HG22 THR A 7 0.118 8.183 12.020 1.00 1.95 H new ATOM 0 HG23 THR A 7 -1.149 7.200 11.248 1.00 1.95 H new ATOM 32 N TYR A 8 -0.578 5.160 9.463 1.00 1.25 N ATOM 33 CA TYR A 8 -1.582 4.979 8.427 1.00 1.00 C ATOM 34 C TYR A 8 -2.941 5.112 9.109 1.00 0.90 C ATOM 35 O TYR A 8 -3.070 4.739 10.275 1.00 1.16 O ATOM 36 CB TYR A 8 -1.459 3.576 7.813 1.00 0.93 C ATOM 37 CG TYR A 8 -0.047 3.169 7.438 1.00 1.13 C ATOM 38 CD1 TYR A 8 0.840 2.706 8.430 1.00 1.32 C ATOM 39 CD2 TYR A 8 0.434 3.427 6.145 1.00 1.64 C ATOM 40 CE1 TYR A 8 2.224 2.700 8.183 1.00 1.43 C ATOM 41 CE2 TYR A 8 1.814 3.401 5.892 1.00 1.74 C ATOM 42 CZ TYR A 8 2.710 3.111 6.932 1.00 1.39 C ATOM 43 OH TYR A 8 4.019 3.468 6.799 1.00 1.56 O ATOM 0 H TYR A 8 -0.767 4.580 10.281 1.00 1.25 H new ATOM 0 HA TYR A 8 -1.457 5.714 7.632 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -1.856 2.849 8.521 1.00 0.93 H new ATOM 0 HB3 TYR A 8 -2.085 3.528 6.922 1.00 0.93 H new ATOM 0 HD1 TYR A 8 0.458 2.357 9.378 1.00 1.32 H new ATOM 0 HD2 TYR A 8 -0.258 3.645 5.345 1.00 1.64 H new ATOM 0 HE1 TYR A 8 2.911 2.380 8.953 1.00 1.43 H new ATOM 0 HE2 TYR A 8 2.186 3.604 4.898 1.00 1.74 H new ATOM 0 HH TYR A 8 4.591 2.710 7.041 1.00 1.56 H new ATOM 53 N THR A 9 -3.954 5.622 8.408 1.00 0.72 N ATOM 54 CA THR A 9 -5.310 5.621 8.952 1.00 0.70 C ATOM 55 C THR A 9 -5.943 4.238 8.760 1.00 0.52 C ATOM 56 O THR A 9 -5.421 3.398 8.022 1.00 0.42 O ATOM 57 CB THR A 9 -6.161 6.728 8.317 1.00 0.87 C ATOM 58 OG1 THR A 9 -6.236 6.528 6.928 1.00 2.30 O ATOM 59 CG2 THR A 9 -5.580 8.117 8.595 1.00 1.80 C ATOM 0 H THR A 9 -3.864 6.034 7.479 1.00 0.72 H new ATOM 0 HA THR A 9 -5.264 5.832 10.020 1.00 0.70 H new ATOM 0 HB THR A 9 -7.156 6.679 8.760 1.00 0.87 H new ATOM 0 HG1 THR A 9 -6.781 7.235 6.525 1.00 2.30 H new ATOM 0 HG21 THR A 9 -6.210 8.875 8.129 1.00 1.80 H new ATOM 0 HG22 THR A 9 -5.543 8.287 9.671 1.00 1.80 H new ATOM 0 HG23 THR A 9 -4.573 8.179 8.183 1.00 1.80 H new ATOM 67 N ARG A 10 -7.083 4.004 9.419 1.00 0.57 N ATOM 68 CA ARG A 10 -7.817 2.751 9.324 1.00 0.53 C ATOM 69 C ARG A 10 -8.107 2.415 7.869 1.00 0.48 C ATOM 70 O ARG A 10 -7.704 1.361 7.391 1.00 0.45 O ATOM 71 CB ARG A 10 -9.128 2.862 10.114 1.00 0.66 C ATOM 72 CG ARG A 10 -9.958 1.567 10.144 1.00 0.81 C ATOM 73 CD ARG A 10 -9.188 0.363 10.704 1.00 1.96 C ATOM 74 NE ARG A 10 -10.081 -0.792 10.893 1.00 2.45 N ATOM 75 CZ ARG A 10 -9.699 -1.994 11.360 1.00 3.87 C ATOM 76 NH1 ARG A 10 -8.420 -2.204 11.690 1.00 5.09 N ATOM 77 NH2 ARG A 10 -10.597 -2.977 11.495 1.00 4.59 N ATOM 0 H ARG A 10 -7.520 4.688 10.036 1.00 0.57 H new ATOM 0 HA ARG A 10 -7.210 1.951 9.747 1.00 0.53 H new ATOM 0 HB2 ARG A 10 -8.898 3.157 11.138 1.00 0.66 H new ATOM 0 HB3 ARG A 10 -9.734 3.658 9.681 1.00 0.66 H new ATOM 0 HG2 ARG A 10 -10.851 1.730 10.747 1.00 0.81 H new ATOM 0 HG3 ARG A 10 -10.294 1.336 9.133 1.00 0.81 H new ATOM 0 HD2 ARG A 10 -8.380 0.095 10.023 1.00 1.96 H new ATOM 0 HD3 ARG A 10 -8.728 0.631 11.655 1.00 1.96 H new ATOM 0 HE ARG A 10 -11.065 -0.671 10.651 1.00 2.45 H new ATOM 0 HH11 ARG A 10 -7.737 -1.453 11.587 1.00 5.09 H new ATOM 0 HH12 ARG A 10 -8.128 -3.115 12.044 1.00 5.09 H new ATOM 0 HH21 ARG A 10 -11.572 -2.815 11.244 1.00 4.59 H new ATOM 0 HH22 ARG A 10 -10.306 -3.888 11.849 1.00 4.59 H new ATOM 91 N TYR A 11 -8.815 3.313 7.181 1.00 0.48 N ATOM 92 CA TYR A 11 -9.177 3.108 5.782 1.00 0.45 C ATOM 93 C TYR A 11 -7.944 2.797 4.943 1.00 0.37 C ATOM 94 O TYR A 11 -7.928 1.817 4.207 1.00 0.39 O ATOM 95 CB TYR A 11 -9.889 4.323 5.181 1.00 0.48 C ATOM 96 CG TYR A 11 -10.101 4.171 3.680 1.00 0.58 C ATOM 97 CD1 TYR A 11 -10.791 3.048 3.182 1.00 0.73 C ATOM 98 CD2 TYR A 11 -9.378 4.987 2.786 1.00 0.73 C ATOM 99 CE1 TYR A 11 -10.692 2.701 1.823 1.00 0.95 C ATOM 100 CE2 TYR A 11 -9.316 4.662 1.419 1.00 0.96 C ATOM 101 CZ TYR A 11 -9.946 3.501 0.942 1.00 1.05 C ATOM 102 OH TYR A 11 -9.819 3.145 -0.367 1.00 1.33 O ATOM 0 H TYR A 11 -9.149 4.193 7.575 1.00 0.48 H new ATOM 0 HA TYR A 11 -9.864 2.262 5.764 1.00 0.45 H new ATOM 0 HB2 TYR A 11 -10.853 4.459 5.672 1.00 0.48 H new ATOM 0 HB3 TYR A 11 -9.303 5.221 5.376 1.00 0.48 H new ATOM 0 HD1 TYR A 11 -11.398 2.451 3.847 1.00 0.73 H new ATOM 0 HD2 TYR A 11 -8.869 5.866 3.153 1.00 0.73 H new ATOM 0 HE1 TYR A 11 -11.191 1.817 1.455 1.00 0.95 H new ATOM 0 HE2 TYR A 11 -8.783 5.306 0.735 1.00 0.96 H new ATOM 0 HH TYR A 11 -10.121 2.220 -0.485 1.00 1.33 H new ATOM 112 N GLN A 12 -6.920 3.646 5.041 1.00 0.31 N ATOM 113 CA GLN A 12 -5.695 3.472 4.296 1.00 0.27 C ATOM 114 C GLN A 12 -5.137 2.065 4.530 1.00 0.25 C ATOM 115 O GLN A 12 -4.860 1.345 3.573 1.00 0.27 O ATOM 116 CB GLN A 12 -4.730 4.584 4.712 1.00 0.28 C ATOM 117 CG GLN A 12 -5.129 5.943 4.109 1.00 0.31 C ATOM 118 CD GLN A 12 -4.224 7.073 4.597 1.00 0.37 C ATOM 119 OE1 GLN A 12 -3.746 7.024 5.731 1.00 0.55 O ATOM 120 NE2 GLN A 12 -4.006 8.089 3.764 1.00 0.41 N ATOM 0 H GLN A 12 -6.927 4.470 5.642 1.00 0.31 H new ATOM 0 HA GLN A 12 -5.863 3.553 3.222 1.00 0.27 H new ATOM 0 HB2 GLN A 12 -4.711 4.660 5.799 1.00 0.28 H new ATOM 0 HB3 GLN A 12 -3.720 4.327 4.392 1.00 0.28 H new ATOM 0 HG2 GLN A 12 -5.082 5.885 3.022 1.00 0.31 H new ATOM 0 HG3 GLN A 12 -6.163 6.167 4.372 1.00 0.31 H new ATOM 0 HE21 GLN A 12 -4.424 8.084 2.834 1.00 0.41 H new ATOM 0 HE22 GLN A 12 -3.421 8.872 4.056 1.00 0.41 H new ATOM 129 N THR A 13 -5.030 1.648 5.795 1.00 0.26 N ATOM 130 CA THR A 13 -4.618 0.294 6.152 1.00 0.26 C ATOM 131 C THR A 13 -5.523 -0.752 5.483 1.00 0.27 C ATOM 132 O THR A 13 -5.037 -1.711 4.886 1.00 0.28 O ATOM 133 CB THR A 13 -4.593 0.145 7.682 1.00 0.32 C ATOM 134 OG1 THR A 13 -3.794 1.164 8.245 1.00 0.38 O ATOM 135 CG2 THR A 13 -3.997 -1.202 8.100 1.00 0.35 C ATOM 0 H THR A 13 -5.228 2.243 6.599 1.00 0.26 H new ATOM 0 HA THR A 13 -3.609 0.117 5.780 1.00 0.26 H new ATOM 0 HB THR A 13 -5.622 0.212 8.036 1.00 0.32 H new ATOM 0 HG1 THR A 13 -4.309 1.997 8.289 1.00 0.38 H new ATOM 0 HG21 THR A 13 -3.993 -1.277 9.187 1.00 0.35 H new ATOM 0 HG22 THR A 13 -4.597 -2.011 7.683 1.00 0.35 H new ATOM 0 HG23 THR A 13 -2.975 -1.279 7.728 1.00 0.35 H new ATOM 143 N LEU A 14 -6.841 -0.568 5.571 1.00 0.33 N ATOM 144 CA LEU A 14 -7.831 -1.436 4.953 1.00 0.38 C ATOM 145 C LEU A 14 -7.531 -1.610 3.463 1.00 0.37 C ATOM 146 O LEU A 14 -7.445 -2.729 2.959 1.00 0.42 O ATOM 147 CB LEU A 14 -9.235 -0.832 5.159 1.00 0.44 C ATOM 148 CG LEU A 14 -10.278 -1.872 5.569 1.00 0.72 C ATOM 149 CD1 LEU A 14 -11.621 -1.180 5.824 1.00 0.74 C ATOM 150 CD2 LEU A 14 -10.455 -2.970 4.513 1.00 1.18 C ATOM 0 H LEU A 14 -7.254 0.209 6.087 1.00 0.33 H new ATOM 0 HA LEU A 14 -7.793 -2.420 5.420 1.00 0.38 H new ATOM 0 HB2 LEU A 14 -9.183 -0.057 5.924 1.00 0.44 H new ATOM 0 HB3 LEU A 14 -9.555 -0.348 4.236 1.00 0.44 H new ATOM 0 HG LEU A 14 -9.921 -2.352 6.480 1.00 0.72 H new ATOM 0 HD11 LEU A 14 -12.363 -1.923 6.116 1.00 0.74 H new ATOM 0 HD12 LEU A 14 -11.507 -0.447 6.623 1.00 0.74 H new ATOM 0 HD13 LEU A 14 -11.950 -0.677 4.915 1.00 0.74 H new ATOM 0 HD21 LEU A 14 -11.206 -3.683 4.852 1.00 1.18 H new ATOM 0 HD22 LEU A 14 -10.778 -2.522 3.573 1.00 1.18 H new ATOM 0 HD23 LEU A 14 -9.507 -3.486 4.362 1.00 1.18 H new ATOM 162 N GLU A 15 -7.371 -0.490 2.758 1.00 0.37 N ATOM 163 CA GLU A 15 -7.193 -0.486 1.320 1.00 0.41 C ATOM 164 C GLU A 15 -5.855 -1.128 0.981 1.00 0.34 C ATOM 165 O GLU A 15 -5.762 -1.929 0.060 1.00 0.36 O ATOM 166 CB GLU A 15 -7.300 0.946 0.785 1.00 0.49 C ATOM 167 CG GLU A 15 -7.435 0.988 -0.746 1.00 0.72 C ATOM 168 CD GLU A 15 -8.629 0.203 -1.251 1.00 1.48 C ATOM 169 OE1 GLU A 15 -9.773 0.540 -0.859 1.00 2.62 O ATOM 170 OE2 GLU A 15 -8.426 -0.790 -1.983 1.00 2.37 O ATOM 0 H GLU A 15 -7.362 0.440 3.177 1.00 0.37 H new ATOM 0 HA GLU A 15 -7.978 -1.069 0.839 1.00 0.41 H new ATOM 0 HB2 GLU A 15 -8.162 1.437 1.237 1.00 0.49 H new ATOM 0 HB3 GLU A 15 -6.417 1.511 1.085 1.00 0.49 H new ATOM 0 HG2 GLU A 15 -7.524 2.025 -1.070 1.00 0.72 H new ATOM 0 HG3 GLU A 15 -6.526 0.590 -1.198 1.00 0.72 H new ATOM 177 N LEU A 16 -4.817 -0.816 1.754 1.00 0.28 N ATOM 178 CA LEU A 16 -3.532 -1.467 1.635 1.00 0.25 C ATOM 179 C LEU A 16 -3.654 -2.977 1.762 1.00 0.25 C ATOM 180 O LEU A 16 -3.050 -3.704 0.977 1.00 0.25 O ATOM 181 CB LEU A 16 -2.611 -0.930 2.722 1.00 0.23 C ATOM 182 CG LEU A 16 -1.968 0.385 2.307 1.00 0.31 C ATOM 183 CD1 LEU A 16 -1.493 1.099 3.569 1.00 0.32 C ATOM 184 CD2 LEU A 16 -0.811 0.105 1.350 1.00 0.38 C ATOM 0 H LEU A 16 -4.853 -0.101 2.480 1.00 0.28 H new ATOM 0 HA LEU A 16 -3.123 -1.254 0.647 1.00 0.25 H new ATOM 0 HB2 LEU A 16 -3.178 -0.785 3.642 1.00 0.23 H new ATOM 0 HB3 LEU A 16 -1.835 -1.664 2.938 1.00 0.23 H new ATOM 0 HG LEU A 16 -2.680 1.024 1.785 1.00 0.31 H new ATOM 0 HD11 LEU A 16 -1.027 2.046 3.298 1.00 0.32 H new ATOM 0 HD12 LEU A 16 -2.345 1.287 4.223 1.00 0.32 H new ATOM 0 HD13 LEU A 16 -0.767 0.474 4.089 1.00 0.32 H new ATOM 0 HD21 LEU A 16 -0.349 1.046 1.052 1.00 0.38 H new ATOM 0 HD22 LEU A 16 -0.070 -0.521 1.848 1.00 0.38 H new ATOM 0 HD23 LEU A 16 -1.186 -0.411 0.466 1.00 0.38 H new ATOM 196 N GLU A 17 -4.412 -3.467 2.743 1.00 0.29 N ATOM 197 CA GLU A 17 -4.557 -4.890 2.924 1.00 0.32 C ATOM 198 C GLU A 17 -5.372 -5.496 1.777 1.00 0.38 C ATOM 199 O GLU A 17 -5.032 -6.563 1.270 1.00 0.44 O ATOM 200 CB GLU A 17 -5.136 -5.168 4.313 1.00 0.41 C ATOM 201 CG GLU A 17 -4.195 -6.119 5.061 1.00 0.57 C ATOM 202 CD GLU A 17 -4.856 -6.802 6.249 1.00 1.19 C ATOM 203 OE1 GLU A 17 -5.830 -6.240 6.784 1.00 2.43 O ATOM 204 OE2 GLU A 17 -4.311 -7.866 6.631 1.00 1.87 O ATOM 0 H GLU A 17 -4.926 -2.896 3.413 1.00 0.29 H new ATOM 0 HA GLU A 17 -3.585 -5.382 2.884 1.00 0.32 H new ATOM 0 HB2 GLU A 17 -5.250 -4.236 4.868 1.00 0.41 H new ATOM 0 HB3 GLU A 17 -6.128 -5.610 4.226 1.00 0.41 H new ATOM 0 HG2 GLU A 17 -3.831 -6.879 4.369 1.00 0.57 H new ATOM 0 HG3 GLU A 17 -3.325 -5.561 5.408 1.00 0.57 H new ATOM 211 N LYS A 18 -6.412 -4.795 1.325 1.00 0.41 N ATOM 212 CA LYS A 18 -7.135 -5.152 0.112 1.00 0.47 C ATOM 213 C LYS A 18 -6.177 -5.214 -1.084 1.00 0.50 C ATOM 214 O LYS A 18 -6.271 -6.146 -1.885 1.00 0.62 O ATOM 215 CB LYS A 18 -8.323 -4.195 -0.064 1.00 0.57 C ATOM 216 CG LYS A 18 -9.233 -4.541 -1.251 1.00 0.69 C ATOM 217 CD LYS A 18 -10.710 -4.221 -0.955 1.00 2.26 C ATOM 218 CE LYS A 18 -10.986 -2.774 -0.510 1.00 3.02 C ATOM 219 NZ LYS A 18 -10.725 -1.786 -1.572 1.00 3.31 N ATOM 0 H LYS A 18 -6.774 -3.964 1.792 1.00 0.41 H new ATOM 0 HA LYS A 18 -7.556 -6.155 0.187 1.00 0.47 H new ATOM 0 HB2 LYS A 18 -8.918 -4.199 0.850 1.00 0.57 H new ATOM 0 HB3 LYS A 18 -7.944 -3.181 -0.194 1.00 0.57 H new ATOM 0 HG2 LYS A 18 -8.910 -3.984 -2.130 1.00 0.69 H new ATOM 0 HG3 LYS A 18 -9.132 -5.600 -1.490 1.00 0.69 H new ATOM 0 HD2 LYS A 18 -11.297 -4.428 -1.850 1.00 2.26 H new ATOM 0 HD3 LYS A 18 -11.064 -4.898 -0.177 1.00 2.26 H new ATOM 0 HE2 LYS A 18 -12.025 -2.690 -0.190 1.00 3.02 H new ATOM 0 HE3 LYS A 18 -10.366 -2.541 0.356 1.00 3.02 H new ATOM 0 HZ1 LYS A 18 -10.846 -0.826 -1.191 1.00 3.31 H new ATOM 0 HZ2 LYS A 18 -9.752 -1.900 -1.920 1.00 3.31 H new ATOM 0 HZ3 LYS A 18 -11.393 -1.934 -2.355 1.00 3.31 H new ATOM 233 N GLU A 19 -5.219 -4.282 -1.180 1.00 0.44 N ATOM 234 CA GLU A 19 -4.161 -4.359 -2.171 1.00 0.50 C ATOM 235 C GLU A 19 -3.410 -5.671 -1.958 1.00 0.54 C ATOM 236 O GLU A 19 -3.453 -6.519 -2.830 1.00 0.76 O ATOM 237 CB GLU A 19 -3.239 -3.126 -2.114 1.00 0.71 C ATOM 238 CG GLU A 19 -3.081 -2.451 -3.485 1.00 1.29 C ATOM 239 CD GLU A 19 -2.566 -3.371 -4.585 1.00 1.81 C ATOM 240 OE1 GLU A 19 -1.634 -4.158 -4.313 1.00 3.10 O ATOM 241 OE2 GLU A 19 -3.106 -3.233 -5.707 1.00 2.28 O ATOM 0 H GLU A 19 -5.164 -3.464 -0.574 1.00 0.44 H new ATOM 0 HA GLU A 19 -4.584 -4.352 -3.176 1.00 0.50 H new ATOM 0 HB2 GLU A 19 -3.642 -2.406 -1.402 1.00 0.71 H new ATOM 0 HB3 GLU A 19 -2.258 -3.425 -1.744 1.00 0.71 H new ATOM 0 HG2 GLU A 19 -4.046 -2.045 -3.790 1.00 1.29 H new ATOM 0 HG3 GLU A 19 -2.398 -1.608 -3.384 1.00 1.29 H new ATOM 248 N PHE A 20 -2.814 -5.875 -0.778 1.00 0.47 N ATOM 249 CA PHE A 20 -2.063 -7.075 -0.401 1.00 0.61 C ATOM 250 C PHE A 20 -2.785 -8.381 -0.773 1.00 0.67 C ATOM 251 O PHE A 20 -2.155 -9.360 -1.171 1.00 0.80 O ATOM 252 CB PHE A 20 -1.763 -7.037 1.104 1.00 0.71 C ATOM 253 CG PHE A 20 -0.662 -7.978 1.560 1.00 0.80 C ATOM 254 CD1 PHE A 20 0.682 -7.574 1.470 1.00 0.90 C ATOM 255 CD2 PHE A 20 -0.975 -9.251 2.072 1.00 0.94 C ATOM 256 CE1 PHE A 20 1.704 -8.412 1.949 1.00 1.01 C ATOM 257 CE2 PHE A 20 0.042 -10.065 2.603 1.00 1.06 C ATOM 258 CZ PHE A 20 1.380 -9.630 2.572 1.00 1.04 C ATOM 0 H PHE A 20 -2.843 -5.181 -0.031 1.00 0.47 H new ATOM 0 HA PHE A 20 -1.133 -7.069 -0.970 1.00 0.61 H new ATOM 0 HB2 PHE A 20 -1.488 -6.019 1.379 1.00 0.71 H new ATOM 0 HB3 PHE A 20 -2.676 -7.279 1.648 1.00 0.71 H new ATOM 0 HD1 PHE A 20 0.929 -6.618 1.032 1.00 0.90 H new ATOM 0 HD2 PHE A 20 -1.996 -9.603 2.057 1.00 0.94 H new ATOM 0 HE1 PHE A 20 2.738 -8.120 1.838 1.00 1.01 H new ATOM 0 HE2 PHE A 20 -0.204 -11.024 3.035 1.00 1.06 H new ATOM 0 HZ PHE A 20 2.155 -10.230 3.025 1.00 1.04 H new ATOM 268 N HIS A 21 -4.106 -8.418 -0.586 1.00 0.71 N ATOM 269 CA HIS A 21 -4.934 -9.561 -0.932 1.00 0.90 C ATOM 270 C HIS A 21 -5.067 -9.703 -2.453 1.00 0.86 C ATOM 271 O HIS A 21 -5.023 -10.816 -2.974 1.00 1.07 O ATOM 272 CB HIS A 21 -6.305 -9.419 -0.258 1.00 1.17 C ATOM 273 CG HIS A 21 -7.182 -10.646 -0.358 1.00 2.30 C ATOM 274 ND1 HIS A 21 -7.088 -11.654 -1.294 1.00 3.69 N ATOM 275 CD2 HIS A 21 -8.227 -10.952 0.472 1.00 3.19 C ATOM 276 CE1 HIS A 21 -8.058 -12.545 -1.028 1.00 4.78 C ATOM 277 NE2 HIS A 21 -8.778 -12.162 0.039 1.00 4.55 N ATOM 0 H HIS A 21 -4.632 -7.642 -0.184 1.00 0.71 H new ATOM 0 HA HIS A 21 -4.459 -10.472 -0.568 1.00 0.90 H new ATOM 0 HB2 HIS A 21 -6.155 -9.180 0.795 1.00 1.17 H new ATOM 0 HB3 HIS A 21 -6.830 -8.575 -0.705 1.00 1.17 H new ATOM 0 HD1 HIS A 21 -6.406 -11.713 -2.051 1.00 3.69 H new ATOM 0 HD2 HIS A 21 -8.566 -10.363 1.312 1.00 3.19 H new ATOM 0 HE1 HIS A 21 -8.235 -13.447 -1.595 1.00 4.78 H new ATOM 285 N PHE A 22 -5.301 -8.590 -3.149 1.00 0.81 N ATOM 286 CA PHE A 22 -5.489 -8.537 -4.594 1.00 0.85 C ATOM 287 C PHE A 22 -4.195 -8.887 -5.342 1.00 0.77 C ATOM 288 O PHE A 22 -4.191 -9.696 -6.267 1.00 1.16 O ATOM 289 CB PHE A 22 -5.977 -7.122 -4.943 1.00 0.87 C ATOM 290 CG PHE A 22 -5.956 -6.766 -6.417 1.00 1.06 C ATOM 291 CD1 PHE A 22 -6.797 -7.437 -7.323 1.00 1.43 C ATOM 292 CD2 PHE A 22 -5.057 -5.791 -6.889 1.00 1.36 C ATOM 293 CE1 PHE A 22 -6.743 -7.128 -8.693 1.00 1.71 C ATOM 294 CE2 PHE A 22 -5.001 -5.484 -8.258 1.00 1.73 C ATOM 295 CZ PHE A 22 -5.847 -6.150 -9.162 1.00 1.77 C ATOM 0 H PHE A 22 -5.366 -7.673 -2.706 1.00 0.81 H new ATOM 0 HA PHE A 22 -6.226 -9.277 -4.906 1.00 0.85 H new ATOM 0 HB2 PHE A 22 -6.996 -7.008 -4.575 1.00 0.87 H new ATOM 0 HB3 PHE A 22 -5.361 -6.402 -4.405 1.00 0.87 H new ATOM 0 HD1 PHE A 22 -7.484 -8.190 -6.966 1.00 1.43 H new ATOM 0 HD2 PHE A 22 -4.408 -5.277 -6.195 1.00 1.36 H new ATOM 0 HE1 PHE A 22 -7.391 -7.642 -9.387 1.00 1.71 H new ATOM 0 HE2 PHE A 22 -4.308 -4.737 -8.616 1.00 1.73 H new ATOM 0 HZ PHE A 22 -5.809 -5.911 -10.215 1.00 1.77 H new ATOM 305 N ASN A 23 -3.105 -8.241 -4.940 1.00 0.54 N ATOM 306 CA ASN A 23 -1.775 -8.268 -5.520 1.00 0.61 C ATOM 307 C ASN A 23 -0.762 -8.265 -4.367 1.00 0.65 C ATOM 308 O ASN A 23 -1.057 -7.773 -3.287 1.00 1.14 O ATOM 309 CB ASN A 23 -1.584 -7.014 -6.397 1.00 0.87 C ATOM 310 CG ASN A 23 -0.118 -6.604 -6.386 1.00 1.18 C ATOM 311 OD1 ASN A 23 0.703 -7.207 -7.071 1.00 1.83 O ATOM 312 ND2 ASN A 23 0.257 -5.728 -5.458 1.00 1.13 N ATOM 0 H ASN A 23 -3.138 -7.630 -4.124 1.00 0.54 H new ATOM 0 HA ASN A 23 -1.634 -9.154 -6.139 1.00 0.61 H new ATOM 0 HB2 ASN A 23 -1.908 -7.218 -7.418 1.00 0.87 H new ATOM 0 HB3 ASN A 23 -2.203 -6.198 -6.024 1.00 0.87 H new ATOM 0 HD21 ASN A 23 1.248 -5.543 -5.302 1.00 1.13 H new ATOM 0 HD22 ASN A 23 -0.446 -5.241 -4.903 1.00 1.13 H new ATOM 319 N ARG A 24 0.465 -8.738 -4.609 1.00 0.57 N ATOM 320 CA ARG A 24 1.550 -8.616 -3.651 1.00 0.62 C ATOM 321 C ARG A 24 2.630 -7.592 -4.031 1.00 0.60 C ATOM 322 O ARG A 24 3.305 -7.106 -3.122 1.00 0.83 O ATOM 323 CB ARG A 24 2.165 -9.993 -3.432 1.00 0.81 C ATOM 324 CG ARG A 24 1.361 -10.767 -2.377 1.00 1.29 C ATOM 325 CD ARG A 24 1.629 -12.270 -2.377 1.00 1.38 C ATOM 326 NE ARG A 24 3.060 -12.565 -2.281 1.00 2.34 N ATOM 327 CZ ARG A 24 3.569 -13.801 -2.225 1.00 3.59 C ATOM 328 NH1 ARG A 24 2.765 -14.863 -2.099 1.00 3.74 N ATOM 329 NH2 ARG A 24 4.888 -13.952 -2.310 1.00 5.28 N ATOM 0 H ARG A 24 0.725 -9.213 -5.473 1.00 0.57 H new ATOM 0 HA ARG A 24 1.116 -8.228 -2.729 1.00 0.62 H new ATOM 0 HB2 ARG A 24 2.178 -10.548 -4.370 1.00 0.81 H new ATOM 0 HB3 ARG A 24 3.201 -9.890 -3.108 1.00 0.81 H new ATOM 0 HG2 ARG A 24 1.594 -10.366 -1.390 1.00 1.29 H new ATOM 0 HG3 ARG A 24 0.298 -10.597 -2.547 1.00 1.29 H new ATOM 0 HD2 ARG A 24 1.105 -12.733 -1.541 1.00 1.38 H new ATOM 0 HD3 ARG A 24 1.227 -12.711 -3.289 1.00 1.38 H new ATOM 0 HE ARG A 24 3.709 -11.779 -2.255 1.00 2.34 H new ATOM 0 HH11 ARG A 24 1.755 -14.734 -2.045 1.00 3.74 H new ATOM 0 HH12 ARG A 24 3.162 -15.801 -2.057 1.00 3.74 H new ATOM 0 HH21 ARG A 24 5.489 -13.135 -2.416 1.00 5.28 H new ATOM 0 HH22 ARG A 24 5.298 -14.885 -2.270 1.00 5.28 H new ATOM 343 N TYR A 25 2.876 -7.302 -5.315 1.00 0.54 N ATOM 344 CA TYR A 25 4.051 -6.571 -5.765 1.00 0.64 C ATOM 345 C TYR A 25 3.661 -5.478 -6.763 1.00 0.69 C ATOM 346 O TYR A 25 3.212 -5.778 -7.865 1.00 1.16 O ATOM 347 CB TYR A 25 4.995 -7.584 -6.411 1.00 0.86 C ATOM 348 CG TYR A 25 5.442 -8.695 -5.478 1.00 1.10 C ATOM 349 CD1 TYR A 25 6.336 -8.418 -4.427 1.00 1.37 C ATOM 350 CD2 TYR A 25 4.876 -9.979 -5.591 1.00 1.47 C ATOM 351 CE1 TYR A 25 6.632 -9.406 -3.472 1.00 1.65 C ATOM 352 CE2 TYR A 25 5.173 -10.968 -4.637 1.00 1.76 C ATOM 353 CZ TYR A 25 6.047 -10.680 -3.577 1.00 1.73 C ATOM 354 OH TYR A 25 6.234 -11.606 -2.591 1.00 2.08 O ATOM 0 H TYR A 25 2.252 -7.575 -6.074 1.00 0.54 H new ATOM 0 HA TYR A 25 4.539 -6.076 -4.925 1.00 0.64 H new ATOM 0 HB2 TYR A 25 4.500 -8.027 -7.275 1.00 0.86 H new ATOM 0 HB3 TYR A 25 5.875 -7.059 -6.782 1.00 0.86 H new ATOM 0 HD1 TYR A 25 6.796 -7.444 -4.354 1.00 1.37 H new ATOM 0 HD2 TYR A 25 4.212 -10.205 -6.412 1.00 1.47 H new ATOM 0 HE1 TYR A 25 7.308 -9.187 -2.659 1.00 1.65 H new ATOM 0 HE2 TYR A 25 4.729 -11.949 -4.720 1.00 1.76 H new ATOM 0 HH TYR A 25 6.352 -11.150 -1.732 1.00 2.08 H new ATOM 364 N LEU A 26 3.845 -4.210 -6.380 1.00 0.67 N ATOM 365 CA LEU A 26 3.374 -3.059 -7.121 1.00 0.70 C ATOM 366 C LEU A 26 4.479 -2.390 -7.929 1.00 0.89 C ATOM 367 O LEU A 26 5.565 -2.133 -7.410 1.00 1.21 O ATOM 368 CB LEU A 26 2.759 -2.034 -6.161 1.00 0.83 C ATOM 369 CG LEU A 26 1.387 -2.454 -5.621 1.00 1.15 C ATOM 370 CD1 LEU A 26 0.805 -1.269 -4.845 1.00 1.79 C ATOM 371 CD2 LEU A 26 0.438 -2.863 -6.754 1.00 1.52 C ATOM 0 H LEU A 26 4.339 -3.961 -5.523 1.00 0.67 H new ATOM 0 HA LEU A 26 2.623 -3.420 -7.824 1.00 0.70 H new ATOM 0 HB2 LEU A 26 3.439 -1.878 -5.323 1.00 0.83 H new ATOM 0 HB3 LEU A 26 2.662 -1.078 -6.675 1.00 0.83 H new ATOM 0 HG LEU A 26 1.503 -3.322 -4.972 1.00 1.15 H new ATOM 0 HD11 LEU A 26 -0.174 -1.539 -4.448 1.00 1.79 H new ATOM 0 HD12 LEU A 26 1.471 -1.010 -4.022 1.00 1.79 H new ATOM 0 HD13 LEU A 26 0.702 -0.413 -5.512 1.00 1.79 H new ATOM 0 HD21 LEU A 26 -0.525 -3.155 -6.335 1.00 1.52 H new ATOM 0 HD22 LEU A 26 0.298 -2.022 -7.433 1.00 1.52 H new ATOM 0 HD23 LEU A 26 0.865 -3.704 -7.301 1.00 1.52 H new ATOM 383 N THR A 27 4.163 -2.051 -9.183 1.00 0.99 N ATOM 384 CA THR A 27 5.008 -1.227 -10.032 1.00 1.29 C ATOM 385 C THR A 27 4.746 0.264 -9.781 1.00 1.18 C ATOM 386 O THR A 27 3.863 0.653 -9.010 1.00 1.85 O ATOM 387 CB THR A 27 4.842 -1.626 -11.509 1.00 1.69 C ATOM 388 OG1 THR A 27 5.773 -0.909 -12.298 1.00 2.84 O ATOM 389 CG2 THR A 27 3.430 -1.370 -12.050 1.00 1.68 C ATOM 0 H THR A 27 3.299 -2.349 -9.637 1.00 0.99 H new ATOM 0 HA THR A 27 6.052 -1.404 -9.774 1.00 1.29 H new ATOM 0 HB THR A 27 5.021 -2.700 -11.566 1.00 1.69 H new ATOM 0 HG1 THR A 27 5.669 -1.164 -13.239 1.00 2.84 H new ATOM 0 HG21 THR A 27 3.381 -1.673 -13.096 1.00 1.68 H new ATOM 0 HG22 THR A 27 2.708 -1.946 -11.471 1.00 1.68 H new ATOM 0 HG23 THR A 27 3.196 -0.309 -11.968 1.00 1.68 H new ATOM 397 N ARG A 28 5.534 1.101 -10.458 1.00 1.12 N ATOM 398 CA ARG A 28 5.579 2.544 -10.279 1.00 1.11 C ATOM 399 C ARG A 28 4.196 3.158 -10.476 1.00 0.86 C ATOM 400 O ARG A 28 3.764 3.983 -9.667 1.00 0.87 O ATOM 401 CB ARG A 28 6.623 3.146 -11.240 1.00 1.40 C ATOM 402 CG ARG A 28 7.101 4.544 -10.823 1.00 2.21 C ATOM 403 CD ARG A 28 6.170 5.698 -11.242 1.00 3.09 C ATOM 404 NE ARG A 28 6.350 6.871 -10.372 1.00 4.47 N ATOM 405 CZ ARG A 28 5.986 6.918 -9.079 1.00 5.70 C ATOM 406 NH1 ARG A 28 5.294 5.923 -8.522 1.00 6.12 N ATOM 407 NH2 ARG A 28 6.324 7.949 -8.304 1.00 7.22 N ATOM 0 H ARG A 28 6.183 0.774 -11.174 1.00 1.12 H new ATOM 0 HA ARG A 28 5.882 2.776 -9.258 1.00 1.11 H new ATOM 0 HB2 ARG A 28 7.482 2.478 -11.296 1.00 1.40 H new ATOM 0 HB3 ARG A 28 6.196 3.200 -12.241 1.00 1.40 H new ATOM 0 HG2 ARG A 28 7.217 4.565 -9.739 1.00 2.21 H new ATOM 0 HG3 ARG A 28 8.088 4.718 -11.252 1.00 2.21 H new ATOM 0 HD2 ARG A 28 6.373 5.975 -12.277 1.00 3.09 H new ATOM 0 HD3 ARG A 28 5.133 5.366 -11.199 1.00 3.09 H new ATOM 0 HE ARG A 28 6.779 7.703 -10.777 1.00 4.47 H new ATOM 0 HH11 ARG A 28 5.033 5.109 -9.079 1.00 6.12 H new ATOM 0 HH12 ARG A 28 5.026 5.976 -7.539 1.00 6.12 H new ATOM 0 HH21 ARG A 28 6.868 8.720 -8.690 1.00 7.22 H new ATOM 0 HH22 ARG A 28 6.038 7.966 -7.325 1.00 7.22 H new ATOM 421 N ARG A 29 3.527 2.778 -11.568 1.00 0.80 N ATOM 422 CA ARG A 29 2.266 3.376 -11.979 1.00 0.72 C ATOM 423 C ARG A 29 1.216 3.081 -10.906 1.00 0.67 C ATOM 424 O ARG A 29 0.569 3.995 -10.394 1.00 0.67 O ATOM 425 CB ARG A 29 1.875 2.828 -13.367 1.00 0.91 C ATOM 426 CG ARG A 29 0.809 3.634 -14.133 1.00 1.22 C ATOM 427 CD ARG A 29 -0.455 3.871 -13.304 1.00 1.73 C ATOM 428 NE ARG A 29 -1.645 4.186 -14.114 1.00 1.95 N ATOM 429 CZ ARG A 29 -2.795 3.521 -13.918 1.00 2.80 C ATOM 430 NH1 ARG A 29 -2.782 2.206 -13.695 1.00 3.90 N ATOM 431 NH2 ARG A 29 -3.961 4.162 -13.844 1.00 3.52 N ATOM 0 H ARG A 29 3.853 2.040 -12.193 1.00 0.80 H new ATOM 0 HA ARG A 29 2.348 4.459 -12.074 1.00 0.72 H new ATOM 0 HB2 ARG A 29 2.774 2.775 -13.982 1.00 0.91 H new ATOM 0 HB3 ARG A 29 1.512 1.807 -13.244 1.00 0.91 H new ATOM 0 HG2 ARG A 29 1.229 4.594 -14.431 1.00 1.22 H new ATOM 0 HG3 ARG A 29 0.545 3.104 -15.048 1.00 1.22 H new ATOM 0 HD2 ARG A 29 -0.658 2.983 -12.706 1.00 1.73 H new ATOM 0 HD3 ARG A 29 -0.274 4.690 -12.607 1.00 1.73 H new ATOM 0 HE ARG A 29 -1.595 4.913 -14.827 1.00 1.95 H new ATOM 0 HH11 ARG A 29 -1.896 1.701 -13.673 1.00 3.90 H new ATOM 0 HH12 ARG A 29 -3.658 1.705 -13.547 1.00 3.90 H new ATOM 0 HH21 ARG A 29 -3.992 5.177 -13.937 1.00 3.52 H new ATOM 0 HH22 ARG A 29 -4.823 3.637 -13.695 1.00 3.52 H new ATOM 445 N ARG A 30 1.043 1.806 -10.547 1.00 0.67 N ATOM 446 CA ARG A 30 0.083 1.456 -9.529 1.00 0.66 C ATOM 447 C ARG A 30 0.424 2.170 -8.221 1.00 0.58 C ATOM 448 O ARG A 30 -0.469 2.696 -7.575 1.00 0.55 O ATOM 449 CB ARG A 30 -0.002 -0.043 -9.333 1.00 0.76 C ATOM 450 CG ARG A 30 -1.179 -0.255 -8.372 1.00 1.13 C ATOM 451 CD ARG A 30 -2.142 -1.290 -8.922 1.00 1.74 C ATOM 452 NE ARG A 30 -3.096 -1.693 -7.879 1.00 1.73 N ATOM 453 CZ ARG A 30 -4.311 -1.174 -7.651 1.00 1.72 C ATOM 454 NH1 ARG A 30 -4.809 -0.175 -8.393 1.00 2.33 N ATOM 455 NH2 ARG A 30 -5.011 -1.688 -6.639 1.00 2.14 N ATOM 0 H ARG A 30 1.553 1.018 -10.947 1.00 0.67 H new ATOM 0 HA ARG A 30 -0.901 1.787 -9.859 1.00 0.66 H new ATOM 0 HB2 ARG A 30 -0.169 -0.555 -10.280 1.00 0.76 H new ATOM 0 HB3 ARG A 30 0.924 -0.439 -8.916 1.00 0.76 H new ATOM 0 HG2 ARG A 30 -0.807 -0.578 -7.400 1.00 1.13 H new ATOM 0 HG3 ARG A 30 -1.702 0.689 -8.216 1.00 1.13 H new ATOM 0 HD2 ARG A 30 -2.678 -0.881 -9.778 1.00 1.74 H new ATOM 0 HD3 ARG A 30 -1.590 -2.160 -9.277 1.00 1.74 H new ATOM 0 HE ARG A 30 -2.802 -2.450 -7.262 1.00 1.73 H new ATOM 0 HH11 ARG A 30 -4.259 0.214 -9.159 1.00 2.33 H new ATOM 0 HH12 ARG A 30 -5.738 0.196 -8.192 1.00 2.33 H new ATOM 0 HH21 ARG A 30 -4.617 -2.443 -6.078 1.00 2.14 H new ATOM 0 HH22 ARG A 30 -5.941 -1.326 -6.426 1.00 2.14 H new ATOM 469 N ARG A 31 1.697 2.226 -7.819 1.00 0.63 N ATOM 470 CA ARG A 31 2.045 2.962 -6.605 1.00 0.70 C ATOM 471 C ARG A 31 1.466 4.381 -6.623 1.00 0.65 C ATOM 472 O ARG A 31 0.936 4.843 -5.615 1.00 0.72 O ATOM 473 CB ARG A 31 3.551 2.966 -6.373 1.00 0.92 C ATOM 474 CG ARG A 31 3.676 2.761 -4.866 1.00 1.22 C ATOM 475 CD ARG A 31 5.071 2.464 -4.397 1.00 1.08 C ATOM 476 NE ARG A 31 5.978 3.600 -4.615 1.00 2.04 N ATOM 477 CZ ARG A 31 6.902 3.726 -5.579 1.00 2.82 C ATOM 478 NH1 ARG A 31 7.115 2.740 -6.460 1.00 3.75 N ATOM 479 NH2 ARG A 31 7.600 4.859 -5.652 1.00 3.67 N ATOM 0 H ARG A 31 2.481 1.785 -8.300 1.00 0.63 H new ATOM 0 HA ARG A 31 1.590 2.443 -5.762 1.00 0.70 H new ATOM 0 HB2 ARG A 31 4.046 2.170 -6.929 1.00 0.92 H new ATOM 0 HB3 ARG A 31 4.004 3.905 -6.690 1.00 0.92 H new ATOM 0 HG2 ARG A 31 3.317 3.656 -4.358 1.00 1.22 H new ATOM 0 HG3 ARG A 31 3.022 1.942 -4.567 1.00 1.22 H new ATOM 0 HD2 ARG A 31 5.051 2.214 -3.336 1.00 1.08 H new ATOM 0 HD3 ARG A 31 5.452 1.589 -4.924 1.00 1.08 H new ATOM 0 HE ARG A 31 5.896 4.378 -3.961 1.00 2.04 H new ATOM 0 HH11 ARG A 31 6.571 1.879 -6.403 1.00 3.75 H new ATOM 0 HH12 ARG A 31 7.821 2.850 -7.188 1.00 3.75 H new ATOM 0 HH21 ARG A 31 7.427 5.609 -4.983 1.00 3.67 H new ATOM 0 HH22 ARG A 31 8.308 4.976 -6.377 1.00 3.67 H new ATOM 493 N ILE A 32 1.519 5.048 -7.779 1.00 0.60 N ATOM 494 CA ILE A 32 0.843 6.325 -7.948 1.00 0.68 C ATOM 495 C ILE A 32 -0.674 6.185 -7.767 1.00 0.66 C ATOM 496 O ILE A 32 -1.253 6.922 -6.975 1.00 0.73 O ATOM 497 CB ILE A 32 1.272 6.998 -9.267 1.00 0.74 C ATOM 498 CG1 ILE A 32 2.484 7.910 -9.017 1.00 1.04 C ATOM 499 CG2 ILE A 32 0.138 7.756 -9.967 1.00 1.07 C ATOM 500 CD1 ILE A 32 2.173 9.204 -8.258 1.00 1.53 C ATOM 0 H ILE A 32 2.022 4.722 -8.605 1.00 0.60 H new ATOM 0 HA ILE A 32 1.157 7.004 -7.155 1.00 0.68 H new ATOM 0 HB ILE A 32 1.553 6.201 -9.955 1.00 0.74 H new ATOM 0 HG12 ILE A 32 3.233 7.349 -8.458 1.00 1.04 H new ATOM 0 HG13 ILE A 32 2.930 8.168 -9.977 1.00 1.04 H new ATOM 0 HG21 ILE A 32 0.513 8.203 -10.887 1.00 1.07 H new ATOM 0 HG22 ILE A 32 -0.671 7.064 -10.203 1.00 1.07 H new ATOM 0 HG23 ILE A 32 -0.236 8.540 -9.309 1.00 1.07 H new ATOM 0 HD11 ILE A 32 3.089 9.780 -8.130 1.00 1.53 H new ATOM 0 HD12 ILE A 32 1.450 9.793 -8.823 1.00 1.53 H new ATOM 0 HD13 ILE A 32 1.758 8.961 -7.280 1.00 1.53 H new ATOM 512 N GLU A 33 -1.331 5.254 -8.467 1.00 0.61 N ATOM 513 CA GLU A 33 -2.748 4.991 -8.300 1.00 0.61 C ATOM 514 C GLU A 33 -3.132 4.846 -6.825 1.00 0.50 C ATOM 515 O GLU A 33 -3.998 5.570 -6.336 1.00 0.52 O ATOM 516 CB GLU A 33 -3.075 3.679 -9.027 1.00 0.68 C ATOM 517 CG GLU A 33 -3.582 3.791 -10.459 1.00 1.12 C ATOM 518 CD GLU A 33 -4.128 2.448 -10.949 1.00 2.68 C ATOM 519 OE1 GLU A 33 -3.859 1.420 -10.284 1.00 4.11 O ATOM 520 OE2 GLU A 33 -4.747 2.457 -12.039 1.00 3.35 O ATOM 0 H GLU A 33 -0.884 4.663 -9.168 1.00 0.61 H new ATOM 0 HA GLU A 33 -3.309 5.831 -8.710 1.00 0.61 H new ATOM 0 HB2 GLU A 33 -2.177 3.062 -9.033 1.00 0.68 H new ATOM 0 HB3 GLU A 33 -3.825 3.145 -8.443 1.00 0.68 H new ATOM 0 HG2 GLU A 33 -4.364 4.549 -10.515 1.00 1.12 H new ATOM 0 HG3 GLU A 33 -2.773 4.120 -11.111 1.00 1.12 H new ATOM 527 N ILE A 34 -2.520 3.896 -6.110 1.00 0.48 N ATOM 528 CA ILE A 34 -2.883 3.661 -4.728 1.00 0.49 C ATOM 529 C ILE A 34 -2.545 4.914 -3.912 1.00 0.47 C ATOM 530 O ILE A 34 -3.347 5.338 -3.082 1.00 0.47 O ATOM 531 CB ILE A 34 -2.323 2.321 -4.198 1.00 0.55 C ATOM 532 CG1 ILE A 34 -2.187 2.329 -2.677 1.00 0.65 C ATOM 533 CG2 ILE A 34 -0.961 1.918 -4.761 1.00 0.56 C ATOM 534 CD1 ILE A 34 -2.282 0.924 -2.074 1.00 1.03 C ATOM 0 H ILE A 34 -1.782 3.290 -6.468 1.00 0.48 H new ATOM 0 HA ILE A 34 -3.958 3.515 -4.626 1.00 0.49 H new ATOM 0 HB ILE A 34 -3.061 1.595 -4.538 1.00 0.55 H new ATOM 0 HG12 ILE A 34 -1.231 2.775 -2.403 1.00 0.65 H new ATOM 0 HG13 ILE A 34 -2.967 2.959 -2.249 1.00 0.65 H new ATOM 0 HG21 ILE A 34 -0.656 0.965 -4.328 1.00 0.56 H new ATOM 0 HG22 ILE A 34 -1.030 1.819 -5.844 1.00 0.56 H new ATOM 0 HG23 ILE A 34 -0.224 2.682 -4.513 1.00 0.56 H new ATOM 0 HD11 ILE A 34 -2.179 0.985 -0.991 1.00 1.03 H new ATOM 0 HD12 ILE A 34 -3.249 0.486 -2.323 1.00 1.03 H new ATOM 0 HD13 ILE A 34 -1.486 0.300 -2.479 1.00 1.03 H new ATOM 546 N ALA A 35 -1.416 5.578 -4.178 1.00 0.50 N ATOM 547 CA ALA A 35 -1.152 6.852 -3.529 1.00 0.60 C ATOM 548 C ALA A 35 -2.256 7.876 -3.795 1.00 0.65 C ATOM 549 O ALA A 35 -2.584 8.633 -2.893 1.00 0.75 O ATOM 550 CB ALA A 35 0.223 7.394 -3.915 1.00 0.70 C ATOM 0 H ALA A 35 -0.691 5.260 -4.822 1.00 0.50 H new ATOM 0 HA ALA A 35 -1.148 6.670 -2.454 1.00 0.60 H new ATOM 0 HB1 ALA A 35 0.392 8.347 -3.414 1.00 0.70 H new ATOM 0 HB2 ALA A 35 0.992 6.684 -3.612 1.00 0.70 H new ATOM 0 HB3 ALA A 35 0.267 7.538 -4.995 1.00 0.70 H new ATOM 556 N HIS A 36 -2.866 7.912 -4.979 1.00 0.66 N ATOM 557 CA HIS A 36 -3.979 8.824 -5.231 1.00 0.70 C ATOM 558 C HIS A 36 -5.195 8.395 -4.419 1.00 0.67 C ATOM 559 O HIS A 36 -5.815 9.215 -3.747 1.00 0.76 O ATOM 560 CB HIS A 36 -4.293 8.910 -6.732 1.00 0.74 C ATOM 561 CG HIS A 36 -3.206 9.574 -7.540 1.00 0.77 C ATOM 562 ND1 HIS A 36 -3.299 9.966 -8.856 1.00 1.02 N ATOM 563 CD2 HIS A 36 -1.993 9.997 -7.068 1.00 0.76 C ATOM 564 CE1 HIS A 36 -2.160 10.610 -9.165 1.00 0.97 C ATOM 565 NE2 HIS A 36 -1.332 10.655 -8.108 1.00 0.80 N ATOM 0 H HIS A 36 -2.610 7.325 -5.773 1.00 0.66 H new ATOM 0 HA HIS A 36 -3.695 9.826 -4.910 1.00 0.70 H new ATOM 0 HB2 HIS A 36 -4.458 7.904 -7.118 1.00 0.74 H new ATOM 0 HB3 HIS A 36 -5.224 9.461 -6.869 1.00 0.74 H new ATOM 0 HD2 HIS A 36 -1.614 9.848 -6.068 1.00 0.76 H new ATOM 0 HE1 HIS A 36 -1.940 11.034 -10.133 1.00 0.97 H new ATOM 0 HE2 HIS A 36 -0.407 11.083 -8.072 1.00 0.80 H new ATOM 573 N ALA A 37 -5.524 7.103 -4.466 1.00 0.58 N ATOM 574 CA ALA A 37 -6.662 6.559 -3.742 1.00 0.58 C ATOM 575 C ALA A 37 -6.549 6.797 -2.232 1.00 0.55 C ATOM 576 O ALA A 37 -7.560 7.037 -1.575 1.00 0.60 O ATOM 577 CB ALA A 37 -6.809 5.069 -4.058 1.00 0.60 C ATOM 0 H ALA A 37 -5.007 6.410 -5.007 1.00 0.58 H new ATOM 0 HA ALA A 37 -7.559 7.083 -4.073 1.00 0.58 H new ATOM 0 HB1 ALA A 37 -7.662 4.664 -3.514 1.00 0.60 H new ATOM 0 HB2 ALA A 37 -6.966 4.938 -5.129 1.00 0.60 H new ATOM 0 HB3 ALA A 37 -5.904 4.542 -3.757 1.00 0.60 H new ATOM 583 N LEU A 38 -5.341 6.699 -1.665 1.00 0.51 N ATOM 584 CA LEU A 38 -5.154 6.746 -0.220 1.00 0.45 C ATOM 585 C LEU A 38 -4.743 8.131 0.234 1.00 0.45 C ATOM 586 O LEU A 38 -5.156 8.605 1.288 1.00 0.54 O ATOM 587 CB LEU A 38 -4.106 5.734 0.214 1.00 0.54 C ATOM 588 CG LEU A 38 -4.725 4.364 0.470 1.00 1.01 C ATOM 589 CD1 LEU A 38 -5.431 3.800 -0.764 1.00 2.82 C ATOM 590 CD2 LEU A 38 -3.680 3.369 0.964 1.00 1.81 C ATOM 0 H LEU A 38 -4.476 6.586 -2.194 1.00 0.51 H new ATOM 0 HA LEU A 38 -6.108 6.498 0.245 1.00 0.45 H new ATOM 0 HB2 LEU A 38 -3.339 5.650 -0.556 1.00 0.54 H new ATOM 0 HB3 LEU A 38 -3.612 6.086 1.119 1.00 0.54 H new ATOM 0 HG LEU A 38 -5.476 4.510 1.246 1.00 1.01 H new ATOM 0 HD11 LEU A 38 -5.854 2.824 -0.527 1.00 2.82 H new ATOM 0 HD12 LEU A 38 -6.229 4.477 -1.068 1.00 2.82 H new ATOM 0 HD13 LEU A 38 -4.714 3.697 -1.578 1.00 2.82 H new ATOM 0 HD21 LEU A 38 -4.152 2.402 1.138 1.00 1.81 H new ATOM 0 HD22 LEU A 38 -2.897 3.261 0.214 1.00 1.81 H new ATOM 0 HD23 LEU A 38 -3.243 3.732 1.894 1.00 1.81 H new ATOM 602 N SER A 39 -3.834 8.720 -0.529 1.00 0.53 N ATOM 603 CA SER A 39 -3.054 9.877 -0.171 1.00 0.67 C ATOM 604 C SER A 39 -2.372 9.741 1.189 1.00 0.60 C ATOM 605 O SER A 39 -2.503 10.597 2.062 1.00 0.60 O ATOM 606 CB SER A 39 -3.814 11.174 -0.464 1.00 0.86 C ATOM 607 OG SER A 39 -3.096 12.299 0.004 1.00 2.53 O ATOM 0 H SER A 39 -3.615 8.378 -1.465 1.00 0.53 H new ATOM 0 HA SER A 39 -2.189 9.943 -0.830 1.00 0.67 H new ATOM 0 HB2 SER A 39 -3.983 11.266 -1.537 1.00 0.86 H new ATOM 0 HB3 SER A 39 -4.794 11.140 0.011 1.00 0.86 H new ATOM 0 HG SER A 39 -2.704 12.096 0.879 1.00 2.53 H new ATOM 613 N LEU A 40 -1.574 8.672 1.304 1.00 0.97 N ATOM 614 CA LEU A 40 -0.505 8.580 2.289 1.00 1.22 C ATOM 615 C LEU A 40 0.627 9.503 1.805 1.00 1.50 C ATOM 616 O LEU A 40 0.480 10.720 1.819 1.00 2.84 O ATOM 617 CB LEU A 40 -0.046 7.115 2.393 1.00 0.98 C ATOM 618 CG LEU A 40 -1.002 6.286 3.247 1.00 1.30 C ATOM 619 CD1 LEU A 40 -0.878 4.804 2.910 1.00 1.49 C ATOM 620 CD2 LEU A 40 -0.649 6.489 4.718 1.00 1.89 C ATOM 0 H LEU A 40 -1.657 7.846 0.711 1.00 0.97 H new ATOM 0 HA LEU A 40 -0.828 8.891 3.283 1.00 1.22 H new ATOM 0 HB2 LEU A 40 0.020 6.682 1.395 1.00 0.98 H new ATOM 0 HB3 LEU A 40 0.954 7.076 2.824 1.00 0.98 H new ATOM 0 HG LEU A 40 -2.024 6.608 3.047 1.00 1.30 H new ATOM 0 HD11 LEU A 40 -1.568 4.231 3.530 1.00 1.49 H new ATOM 0 HD12 LEU A 40 -1.120 4.648 1.859 1.00 1.49 H new ATOM 0 HD13 LEU A 40 0.143 4.472 3.100 1.00 1.49 H new ATOM 0 HD21 LEU A 40 -1.325 5.902 5.339 1.00 1.89 H new ATOM 0 HD22 LEU A 40 0.377 6.166 4.894 1.00 1.89 H new ATOM 0 HD23 LEU A 40 -0.746 7.544 4.973 1.00 1.89 H new ATOM 632 N THR A 41 1.747 8.949 1.327 1.00 0.88 N ATOM 633 CA THR A 41 2.779 9.722 0.645 1.00 0.87 C ATOM 634 C THR A 41 3.607 8.844 -0.308 1.00 0.86 C ATOM 635 O THR A 41 4.688 9.265 -0.716 1.00 1.14 O ATOM 636 CB THR A 41 3.612 10.545 1.661 1.00 1.05 C ATOM 637 OG1 THR A 41 4.687 11.243 1.051 1.00 1.59 O ATOM 638 CG2 THR A 41 4.180 9.695 2.799 1.00 1.53 C ATOM 0 H THR A 41 1.959 7.954 1.404 1.00 0.88 H new ATOM 0 HA THR A 41 2.304 10.457 -0.004 1.00 0.87 H new ATOM 0 HB THR A 41 2.900 11.261 2.072 1.00 1.05 H new ATOM 0 HG1 THR A 41 4.982 10.757 0.253 1.00 1.59 H new ATOM 0 HG21 THR A 41 4.753 10.329 3.476 1.00 1.53 H new ATOM 0 HG22 THR A 41 3.362 9.226 3.346 1.00 1.53 H new ATOM 0 HG23 THR A 41 4.831 8.923 2.387 1.00 1.53 H new ATOM 646 N GLU A 42 3.109 7.657 -0.694 1.00 0.92 N ATOM 647 CA GLU A 42 3.611 6.870 -1.832 1.00 1.03 C ATOM 648 C GLU A 42 4.882 6.097 -1.469 1.00 0.93 C ATOM 649 O GLU A 42 4.888 4.864 -1.469 1.00 0.92 O ATOM 650 CB GLU A 42 3.739 7.765 -3.083 1.00 1.52 C ATOM 651 CG GLU A 42 3.745 6.998 -4.413 1.00 2.16 C ATOM 652 CD GLU A 42 5.145 6.685 -4.903 1.00 2.13 C ATOM 653 OE1 GLU A 42 5.963 6.182 -4.104 1.00 2.46 O ATOM 654 OE2 GLU A 42 5.399 6.879 -6.110 1.00 3.30 O ATOM 0 H GLU A 42 2.329 7.209 -0.213 1.00 0.92 H new ATOM 0 HA GLU A 42 2.886 6.097 -2.085 1.00 1.03 H new ATOM 0 HB2 GLU A 42 2.914 8.477 -3.092 1.00 1.52 H new ATOM 0 HB3 GLU A 42 4.659 8.345 -3.008 1.00 1.52 H new ATOM 0 HG2 GLU A 42 3.190 6.067 -4.293 1.00 2.16 H new ATOM 0 HG3 GLU A 42 3.223 7.585 -5.169 1.00 2.16 H new ATOM 661 N ARG A 43 5.917 6.808 -1.023 1.00 1.01 N ATOM 662 CA ARG A 43 7.049 6.191 -0.335 1.00 1.11 C ATOM 663 C ARG A 43 6.517 5.305 0.798 1.00 0.97 C ATOM 664 O ARG A 43 6.968 4.178 0.993 1.00 0.96 O ATOM 665 CB ARG A 43 8.039 7.265 0.152 1.00 1.26 C ATOM 666 CG ARG A 43 7.417 8.249 1.156 1.00 2.20 C ATOM 667 CD ARG A 43 8.208 9.557 1.305 1.00 2.60 C ATOM 668 NE ARG A 43 7.288 10.662 1.621 1.00 4.13 N ATOM 669 CZ ARG A 43 7.607 11.915 1.974 1.00 4.91 C ATOM 670 NH1 ARG A 43 8.878 12.256 2.208 1.00 4.52 N ATOM 671 NH2 ARG A 43 6.620 12.810 2.073 1.00 6.64 N ATOM 0 H ARG A 43 5.994 7.820 -1.127 1.00 1.01 H new ATOM 0 HA ARG A 43 7.610 5.556 -1.020 1.00 1.11 H new ATOM 0 HB2 ARG A 43 8.897 6.777 0.615 1.00 1.26 H new ATOM 0 HB3 ARG A 43 8.414 7.821 -0.707 1.00 1.26 H new ATOM 0 HG2 ARG A 43 6.400 8.483 0.840 1.00 2.20 H new ATOM 0 HG3 ARG A 43 7.345 7.765 2.130 1.00 2.20 H new ATOM 0 HD2 ARG A 43 8.953 9.455 2.094 1.00 2.60 H new ATOM 0 HD3 ARG A 43 8.748 9.773 0.383 1.00 2.60 H new ATOM 0 HE ARG A 43 6.292 10.449 1.565 1.00 4.13 H new ATOM 0 HH11 ARG A 43 9.618 11.559 2.119 1.00 4.52 H new ATOM 0 HH12 ARG A 43 9.108 13.213 2.476 1.00 4.52 H new ATOM 0 HH21 ARG A 43 5.658 12.531 1.882 1.00 6.64 H new ATOM 0 HH22 ARG A 43 6.829 13.772 2.340 1.00 6.64 H new ATOM 685 N GLN A 44 5.489 5.801 1.495 1.00 0.89 N ATOM 686 CA GLN A 44 4.794 5.079 2.540 1.00 0.82 C ATOM 687 C GLN A 44 4.122 3.797 2.050 1.00 0.71 C ATOM 688 O GLN A 44 3.945 2.886 2.843 1.00 0.64 O ATOM 689 CB GLN A 44 3.759 5.988 3.208 1.00 0.74 C ATOM 690 CG GLN A 44 4.261 6.484 4.572 1.00 1.12 C ATOM 691 CD GLN A 44 3.100 6.885 5.469 1.00 1.50 C ATOM 692 OE1 GLN A 44 2.357 7.807 5.151 1.00 2.90 O ATOM 693 NE2 GLN A 44 2.924 6.172 6.575 1.00 2.29 N ATOM 0 H GLN A 44 5.117 6.737 1.337 1.00 0.89 H new ATOM 0 HA GLN A 44 5.552 4.777 3.263 1.00 0.82 H new ATOM 0 HB2 GLN A 44 3.548 6.840 2.562 1.00 0.74 H new ATOM 0 HB3 GLN A 44 2.822 5.446 3.336 1.00 0.74 H new ATOM 0 HG2 GLN A 44 4.844 5.700 5.055 1.00 1.12 H new ATOM 0 HG3 GLN A 44 4.927 7.336 4.431 1.00 1.12 H new ATOM 0 HE21 GLN A 44 3.567 5.413 6.800 1.00 2.29 H new ATOM 0 HE22 GLN A 44 2.146 6.383 7.199 1.00 2.29 H new ATOM 702 N ILE A 45 3.715 3.711 0.785 1.00 0.78 N ATOM 703 CA ILE A 45 3.124 2.495 0.230 1.00 0.73 C ATOM 704 C ILE A 45 4.221 1.444 0.099 1.00 0.70 C ATOM 705 O ILE A 45 4.056 0.315 0.557 1.00 0.64 O ATOM 706 CB ILE A 45 2.433 2.794 -1.113 1.00 0.82 C ATOM 707 CG1 ILE A 45 1.366 3.881 -0.943 1.00 0.85 C ATOM 708 CG2 ILE A 45 1.836 1.556 -1.799 1.00 0.81 C ATOM 709 CD1 ILE A 45 0.155 3.478 -0.110 1.00 1.96 C ATOM 0 H ILE A 45 3.785 4.479 0.118 1.00 0.78 H new ATOM 0 HA ILE A 45 2.350 2.109 0.893 1.00 0.73 H new ATOM 0 HB ILE A 45 3.219 3.154 -1.777 1.00 0.82 H new ATOM 0 HG12 ILE A 45 1.829 4.753 -0.482 1.00 0.85 H new ATOM 0 HG13 ILE A 45 1.022 4.187 -1.931 1.00 0.85 H new ATOM 0 HG21 ILE A 45 1.368 1.851 -2.738 1.00 0.81 H new ATOM 0 HG22 ILE A 45 2.627 0.834 -1.999 1.00 0.81 H new ATOM 0 HG23 ILE A 45 1.089 1.104 -1.147 1.00 0.81 H new ATOM 0 HD11 ILE A 45 -0.540 4.315 -0.050 1.00 1.96 H new ATOM 0 HD12 ILE A 45 -0.341 2.627 -0.577 1.00 1.96 H new ATOM 0 HD13 ILE A 45 0.479 3.203 0.894 1.00 1.96 H new ATOM 721 N LYS A 46 5.361 1.821 -0.492 1.00 0.77 N ATOM 722 CA LYS A 46 6.524 0.935 -0.532 1.00 0.77 C ATOM 723 C LYS A 46 6.870 0.470 0.892 1.00 0.64 C ATOM 724 O LYS A 46 6.949 -0.732 1.159 1.00 0.59 O ATOM 725 CB LYS A 46 7.706 1.630 -1.237 1.00 0.95 C ATOM 726 CG LYS A 46 9.071 0.939 -1.048 1.00 1.03 C ATOM 727 CD LYS A 46 9.137 -0.521 -1.533 1.00 2.36 C ATOM 728 CE LYS A 46 9.132 -0.679 -3.062 1.00 3.80 C ATOM 729 NZ LYS A 46 10.378 -0.187 -3.688 1.00 4.40 N ATOM 0 H LYS A 46 5.500 2.725 -0.944 1.00 0.77 H new ATOM 0 HA LYS A 46 6.292 0.045 -1.118 1.00 0.77 H new ATOM 0 HB2 LYS A 46 7.490 1.690 -2.304 1.00 0.95 H new ATOM 0 HB3 LYS A 46 7.779 2.653 -0.869 1.00 0.95 H new ATOM 0 HG2 LYS A 46 9.829 1.516 -1.577 1.00 1.03 H new ATOM 0 HG3 LYS A 46 9.331 0.966 0.010 1.00 1.03 H new ATOM 0 HD2 LYS A 46 10.040 -0.984 -1.134 1.00 2.36 H new ATOM 0 HD3 LYS A 46 8.289 -1.068 -1.120 1.00 2.36 H new ATOM 0 HE2 LYS A 46 8.993 -1.730 -3.315 1.00 3.80 H new ATOM 0 HE3 LYS A 46 8.282 -0.137 -3.477 1.00 3.80 H new ATOM 0 HZ1 LYS A 46 10.359 -0.393 -4.707 1.00 4.40 H new ATOM 0 HZ2 LYS A 46 10.457 0.840 -3.544 1.00 4.40 H new ATOM 0 HZ3 LYS A 46 11.195 -0.661 -3.254 1.00 4.40 H new ATOM 743 N ILE A 47 7.073 1.428 1.799 1.00 0.64 N ATOM 744 CA ILE A 47 7.358 1.164 3.204 1.00 0.55 C ATOM 745 C ILE A 47 6.297 0.244 3.811 1.00 0.46 C ATOM 746 O ILE A 47 6.643 -0.739 4.460 1.00 0.39 O ATOM 747 CB ILE A 47 7.557 2.504 3.949 1.00 0.67 C ATOM 748 CG1 ILE A 47 9.052 2.808 4.126 1.00 0.62 C ATOM 749 CG2 ILE A 47 6.850 2.607 5.309 1.00 0.84 C ATOM 750 CD1 ILE A 47 9.804 2.885 2.792 1.00 1.28 C ATOM 0 H ILE A 47 7.043 2.422 1.571 1.00 0.64 H new ATOM 0 HA ILE A 47 8.294 0.615 3.309 1.00 0.55 H new ATOM 0 HB ILE A 47 7.082 3.247 3.308 1.00 0.67 H new ATOM 0 HG12 ILE A 47 9.166 3.753 4.657 1.00 0.62 H new ATOM 0 HG13 ILE A 47 9.504 2.036 4.749 1.00 0.62 H new ATOM 0 HG21 ILE A 47 7.051 3.583 5.751 1.00 0.84 H new ATOM 0 HG22 ILE A 47 5.776 2.486 5.171 1.00 0.84 H new ATOM 0 HG23 ILE A 47 7.221 1.825 5.972 1.00 0.84 H new ATOM 0 HD11 ILE A 47 10.856 3.102 2.979 1.00 1.28 H new ATOM 0 HD12 ILE A 47 9.718 1.932 2.270 1.00 1.28 H new ATOM 0 HD13 ILE A 47 9.374 3.676 2.177 1.00 1.28 H new ATOM 762 N TRP A 48 5.014 0.520 3.577 1.00 0.52 N ATOM 763 CA TRP A 48 3.945 -0.282 4.133 1.00 0.42 C ATOM 764 C TRP A 48 4.066 -1.712 3.643 1.00 0.33 C ATOM 765 O TRP A 48 4.038 -2.631 4.452 1.00 0.32 O ATOM 766 CB TRP A 48 2.553 0.283 3.838 1.00 0.47 C ATOM 767 CG TRP A 48 1.490 -0.508 4.549 1.00 0.43 C ATOM 768 CD1 TRP A 48 1.053 -0.231 5.798 1.00 0.43 C ATOM 769 CD2 TRP A 48 0.811 -1.752 4.163 1.00 0.39 C ATOM 770 NE1 TRP A 48 0.124 -1.166 6.191 1.00 0.41 N ATOM 771 CE2 TRP A 48 -0.060 -2.134 5.230 1.00 0.37 C ATOM 772 CE3 TRP A 48 0.828 -2.598 3.028 1.00 0.41 C ATOM 773 CZ2 TRP A 48 -0.879 -3.270 5.169 1.00 0.36 C ATOM 774 CZ3 TRP A 48 -0.046 -3.699 2.931 1.00 0.38 C ATOM 775 CH2 TRP A 48 -0.907 -4.018 3.989 1.00 0.34 C ATOM 0 H TRP A 48 4.697 1.300 3.001 1.00 0.52 H new ATOM 0 HA TRP A 48 4.054 -0.258 5.217 1.00 0.42 H new ATOM 0 HB2 TRP A 48 2.506 1.326 4.151 1.00 0.47 H new ATOM 0 HB3 TRP A 48 2.369 0.264 2.764 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.385 0.603 6.399 1.00 0.43 H new ATOM 0 HE1 TRP A 48 -0.368 -1.145 7.084 1.00 0.41 H new ATOM 0 HE3 TRP A 48 1.521 -2.397 2.225 1.00 0.41 H new ATOM 0 HZ2 TRP A 48 -1.478 -3.562 6.019 1.00 0.36 H new ATOM 0 HZ3 TRP A 48 -0.052 -4.301 2.035 1.00 0.38 H new ATOM 0 HH2 TRP A 48 -1.595 -4.845 3.892 1.00 0.34 H new ATOM 786 N PHE A 49 4.223 -1.911 2.334 1.00 0.43 N ATOM 787 CA PHE A 49 4.434 -3.245 1.797 1.00 0.53 C ATOM 788 C PHE A 49 5.633 -3.919 2.471 1.00 0.59 C ATOM 789 O PHE A 49 5.538 -5.093 2.821 1.00 0.85 O ATOM 790 CB PHE A 49 4.552 -3.217 0.269 1.00 0.73 C ATOM 791 CG PHE A 49 3.232 -3.455 -0.445 1.00 0.75 C ATOM 792 CD1 PHE A 49 2.742 -4.768 -0.593 1.00 1.29 C ATOM 793 CD2 PHE A 49 2.457 -2.372 -0.899 1.00 0.88 C ATOM 794 CE1 PHE A 49 1.542 -5.002 -1.288 1.00 1.19 C ATOM 795 CE2 PHE A 49 1.228 -2.604 -1.542 1.00 0.99 C ATOM 796 CZ PHE A 49 0.790 -3.919 -1.770 1.00 0.78 C ATOM 0 H PHE A 49 4.207 -1.168 1.635 1.00 0.43 H new ATOM 0 HA PHE A 49 3.559 -3.853 2.027 1.00 0.53 H new ATOM 0 HB2 PHE A 49 4.954 -2.252 -0.039 1.00 0.73 H new ATOM 0 HB3 PHE A 49 5.268 -3.976 -0.046 1.00 0.73 H new ATOM 0 HD1 PHE A 49 3.290 -5.598 -0.171 1.00 1.29 H new ATOM 0 HD2 PHE A 49 2.807 -1.361 -0.753 1.00 0.88 H new ATOM 0 HE1 PHE A 49 1.200 -6.013 -1.451 1.00 1.19 H new ATOM 0 HE2 PHE A 49 0.620 -1.770 -1.861 1.00 0.99 H new ATOM 0 HZ PHE A 49 -0.125 -4.097 -2.316 1.00 0.78 H new ATOM 806 N GLN A 50 6.747 -3.207 2.674 1.00 0.50 N ATOM 807 CA GLN A 50 7.884 -3.770 3.399 1.00 0.61 C ATOM 808 C GLN A 50 7.450 -4.238 4.793 1.00 0.62 C ATOM 809 O GLN A 50 7.560 -5.420 5.123 1.00 0.79 O ATOM 810 CB GLN A 50 9.027 -2.742 3.464 1.00 0.65 C ATOM 811 CG GLN A 50 10.382 -3.357 3.844 1.00 0.94 C ATOM 812 CD GLN A 50 10.500 -3.681 5.331 1.00 2.72 C ATOM 813 OE1 GLN A 50 10.605 -4.839 5.714 1.00 4.21 O ATOM 814 NE2 GLN A 50 10.491 -2.659 6.184 1.00 3.53 N ATOM 0 H GLN A 50 6.882 -2.250 2.349 1.00 0.50 H new ATOM 0 HA GLN A 50 8.256 -4.645 2.866 1.00 0.61 H new ATOM 0 HB2 GLN A 50 9.119 -2.250 2.495 1.00 0.65 H new ATOM 0 HB3 GLN A 50 8.771 -1.970 4.190 1.00 0.65 H new ATOM 0 HG2 GLN A 50 10.534 -4.269 3.267 1.00 0.94 H new ATOM 0 HG3 GLN A 50 11.178 -2.667 3.565 1.00 0.94 H new ATOM 0 HE21 GLN A 50 10.402 -1.705 5.835 1.00 3.53 H new ATOM 0 HE22 GLN A 50 10.573 -2.830 7.186 1.00 3.53 H new ATOM 823 N ASN A 51 6.956 -3.301 5.608 1.00 0.53 N ATOM 824 CA ASN A 51 6.582 -3.557 6.995 1.00 0.64 C ATOM 825 C ASN A 51 5.599 -4.724 7.076 1.00 0.63 C ATOM 826 O ASN A 51 5.728 -5.629 7.899 1.00 0.77 O ATOM 827 CB ASN A 51 5.953 -2.321 7.671 1.00 0.73 C ATOM 828 CG ASN A 51 6.668 -0.985 7.469 1.00 0.88 C ATOM 829 OD1 ASN A 51 6.038 0.067 7.531 1.00 2.09 O ATOM 830 ND2 ASN A 51 7.980 -0.995 7.248 1.00 0.86 N ATOM 0 H ASN A 51 6.804 -2.335 5.317 1.00 0.53 H new ATOM 0 HA ASN A 51 7.501 -3.803 7.526 1.00 0.64 H new ATOM 0 HB2 ASN A 51 4.931 -2.218 7.306 1.00 0.73 H new ATOM 0 HB3 ASN A 51 5.891 -2.514 8.742 1.00 0.73 H new ATOM 0 HD21 ASN A 51 8.483 -0.116 7.126 1.00 0.86 H new ATOM 0 HD22 ASN A 51 8.482 -1.881 7.201 1.00 0.86 H new ATOM 837 N ARG A 52 4.601 -4.677 6.197 1.00 0.52 N ATOM 838 CA ARG A 52 3.577 -5.683 6.046 1.00 0.55 C ATOM 839 C ARG A 52 4.214 -7.036 5.771 1.00 0.72 C ATOM 840 O ARG A 52 3.923 -7.981 6.492 1.00 1.49 O ATOM 841 CB ARG A 52 2.625 -5.275 4.918 1.00 0.50 C ATOM 842 CG ARG A 52 1.634 -6.380 4.557 1.00 0.66 C ATOM 843 CD ARG A 52 0.698 -6.756 5.702 1.00 0.63 C ATOM 844 NE ARG A 52 -0.280 -7.731 5.210 1.00 1.20 N ATOM 845 CZ ARG A 52 -1.451 -8.007 5.800 1.00 1.51 C ATOM 846 NH1 ARG A 52 -1.769 -7.457 6.972 1.00 1.70 N ATOM 847 NH2 ARG A 52 -2.336 -8.816 5.219 1.00 2.43 N ATOM 0 H ARG A 52 4.488 -3.899 5.547 1.00 0.52 H new ATOM 0 HA ARG A 52 3.002 -5.766 6.968 1.00 0.55 H new ATOM 0 HB2 ARG A 52 2.075 -4.382 5.217 1.00 0.50 H new ATOM 0 HB3 ARG A 52 3.206 -5.011 4.035 1.00 0.50 H new ATOM 0 HG2 ARG A 52 1.039 -6.058 3.702 1.00 0.66 H new ATOM 0 HG3 ARG A 52 2.187 -7.266 4.245 1.00 0.66 H new ATOM 0 HD2 ARG A 52 1.266 -7.177 6.532 1.00 0.63 H new ATOM 0 HD3 ARG A 52 0.190 -5.869 6.081 1.00 0.63 H new ATOM 0 HE ARG A 52 -0.052 -8.237 4.354 1.00 1.20 H new ATOM 0 HH11 ARG A 52 -1.118 -6.819 7.429 1.00 1.70 H new ATOM 0 HH12 ARG A 52 -2.663 -7.675 7.412 1.00 1.70 H new ATOM 0 HH21 ARG A 52 -2.126 -9.235 4.313 1.00 2.43 H new ATOM 0 HH22 ARG A 52 -3.223 -9.017 5.680 1.00 2.43 H new ATOM 861 N ARG A 53 5.043 -7.155 4.727 1.00 0.59 N ATOM 862 CA ARG A 53 5.681 -8.425 4.404 1.00 0.67 C ATOM 863 C ARG A 53 6.445 -8.952 5.620 1.00 0.78 C ATOM 864 O ARG A 53 6.327 -10.130 5.966 1.00 0.97 O ATOM 865 CB ARG A 53 6.646 -8.283 3.221 1.00 0.84 C ATOM 866 CG ARG A 53 5.922 -8.162 1.876 1.00 0.96 C ATOM 867 CD ARG A 53 6.958 -8.063 0.743 1.00 1.34 C ATOM 868 NE ARG A 53 6.646 -7.007 -0.234 1.00 1.65 N ATOM 869 CZ ARG A 53 5.601 -7.005 -1.073 1.00 2.09 C ATOM 870 NH1 ARG A 53 4.674 -7.960 -0.999 1.00 2.60 N ATOM 871 NH2 ARG A 53 5.461 -6.048 -1.992 1.00 3.11 N ATOM 0 H ARG A 53 5.283 -6.389 4.098 1.00 0.59 H new ATOM 0 HA ARG A 53 4.896 -9.128 4.126 1.00 0.67 H new ATOM 0 HB2 ARG A 53 7.272 -7.403 3.372 1.00 0.84 H new ATOM 0 HB3 ARG A 53 7.311 -9.146 3.194 1.00 0.84 H new ATOM 0 HG2 ARG A 53 5.277 -9.027 1.719 1.00 0.96 H new ATOM 0 HG3 ARG A 53 5.280 -7.281 1.874 1.00 0.96 H new ATOM 0 HD2 ARG A 53 7.941 -7.873 1.173 1.00 1.34 H new ATOM 0 HD3 ARG A 53 7.016 -9.021 0.227 1.00 1.34 H new ATOM 0 HE ARG A 53 7.279 -6.209 -0.276 1.00 1.65 H new ATOM 0 HH11 ARG A 53 4.757 -8.699 -0.301 1.00 2.60 H new ATOM 0 HH12 ARG A 53 3.881 -7.952 -1.641 1.00 2.60 H new ATOM 0 HH21 ARG A 53 6.155 -5.304 -2.063 1.00 3.11 H new ATOM 0 HH22 ARG A 53 4.660 -6.060 -2.623 1.00 3.11 H new ATOM 885 N MET A 54 7.217 -8.072 6.267 1.00 0.77 N ATOM 886 CA MET A 54 7.963 -8.425 7.465 1.00 0.90 C ATOM 887 C MET A 54 7.024 -9.058 8.487 1.00 0.89 C ATOM 888 O MET A 54 7.238 -10.188 8.924 1.00 1.05 O ATOM 889 CB MET A 54 8.644 -7.183 8.054 1.00 0.94 C ATOM 890 CG MET A 54 9.816 -7.573 8.964 1.00 1.27 C ATOM 891 SD MET A 54 10.400 -6.274 10.083 1.00 2.91 S ATOM 892 CE MET A 54 10.848 -4.975 8.914 1.00 3.19 C ATOM 0 H MET A 54 7.337 -7.103 5.972 1.00 0.77 H new ATOM 0 HA MET A 54 8.738 -9.146 7.204 1.00 0.90 H new ATOM 0 HB2 MET A 54 9.003 -6.545 7.247 1.00 0.94 H new ATOM 0 HB3 MET A 54 7.918 -6.601 8.621 1.00 0.94 H new ATOM 0 HG2 MET A 54 9.519 -8.436 9.560 1.00 1.27 H new ATOM 0 HG3 MET A 54 10.650 -7.891 8.338 1.00 1.27 H new ATOM 0 HE1 MET A 54 11.258 -4.123 9.456 1.00 3.19 H new ATOM 0 HE2 MET A 54 11.594 -5.355 8.216 1.00 3.19 H new ATOM 0 HE3 MET A 54 9.962 -4.661 8.362 1.00 3.19 H new ATOM 902 N LYS A 55 5.975 -8.326 8.871 1.00 0.85 N ATOM 903 CA LYS A 55 5.078 -8.846 9.890 1.00 0.96 C ATOM 904 C LYS A 55 4.282 -10.052 9.399 1.00 1.03 C ATOM 905 O LYS A 55 3.988 -10.940 10.189 1.00 1.34 O ATOM 906 CB LYS A 55 4.099 -7.757 10.347 1.00 0.93 C ATOM 907 CG LYS A 55 4.730 -6.781 11.351 1.00 2.41 C ATOM 908 CD LYS A 55 3.690 -5.849 12.003 1.00 3.06 C ATOM 909 CE LYS A 55 2.986 -6.427 13.249 1.00 3.63 C ATOM 910 NZ LYS A 55 2.320 -7.718 12.990 1.00 3.83 N ATOM 0 H LYS A 55 5.736 -7.405 8.504 1.00 0.85 H new ATOM 0 HA LYS A 55 5.703 -9.165 10.724 1.00 0.96 H new ATOM 0 HB2 LYS A 55 3.747 -7.202 9.478 1.00 0.93 H new ATOM 0 HB3 LYS A 55 3.226 -8.226 10.801 1.00 0.93 H new ATOM 0 HG2 LYS A 55 5.244 -7.347 12.128 1.00 2.41 H new ATOM 0 HG3 LYS A 55 5.484 -6.180 10.843 1.00 2.41 H new ATOM 0 HD2 LYS A 55 4.183 -4.918 12.282 1.00 3.06 H new ATOM 0 HD3 LYS A 55 2.933 -5.598 11.260 1.00 3.06 H new ATOM 0 HE2 LYS A 55 3.718 -6.556 14.046 1.00 3.63 H new ATOM 0 HE3 LYS A 55 2.248 -5.710 13.608 1.00 3.63 H new ATOM 0 HZ1 LYS A 55 1.754 -7.989 13.819 1.00 3.83 H new ATOM 0 HZ2 LYS A 55 1.698 -7.628 12.161 1.00 3.83 H new ATOM 0 HZ3 LYS A 55 3.038 -8.448 12.807 1.00 3.83 H new ATOM 924 N TRP A 56 4.045 -10.156 8.097 1.00 0.87 N ATOM 925 CA TRP A 56 3.279 -11.235 7.497 1.00 0.98 C ATOM 926 C TRP A 56 4.022 -12.531 7.728 1.00 1.15 C ATOM 927 O TRP A 56 3.478 -13.462 8.315 1.00 1.37 O ATOM 928 CB TRP A 56 3.050 -10.942 6.012 1.00 0.84 C ATOM 929 CG TRP A 56 2.775 -12.071 5.075 1.00 0.98 C ATOM 930 CD1 TRP A 56 1.604 -12.729 4.985 1.00 1.16 C ATOM 931 CD2 TRP A 56 3.630 -12.631 4.033 1.00 1.06 C ATOM 932 NE1 TRP A 56 1.656 -13.634 3.945 1.00 1.28 N ATOM 933 CE2 TRP A 56 2.886 -13.616 3.319 1.00 1.24 C ATOM 934 CE3 TRP A 56 4.960 -12.410 3.620 1.00 1.13 C ATOM 935 CZ2 TRP A 56 3.432 -14.342 2.250 1.00 1.44 C ATOM 936 CZ3 TRP A 56 5.526 -13.148 2.564 1.00 1.36 C ATOM 937 CH2 TRP A 56 4.763 -14.104 1.872 1.00 1.49 C ATOM 0 H TRP A 56 4.388 -9.477 7.417 1.00 0.87 H new ATOM 0 HA TRP A 56 2.294 -11.322 7.955 1.00 0.98 H new ATOM 0 HB2 TRP A 56 2.213 -10.247 5.941 1.00 0.84 H new ATOM 0 HB3 TRP A 56 3.931 -10.418 5.643 1.00 0.84 H new ATOM 0 HD1 TRP A 56 0.752 -12.572 5.630 1.00 1.16 H new ATOM 0 HE1 TRP A 56 0.882 -14.240 3.673 1.00 1.28 H new ATOM 0 HE3 TRP A 56 5.554 -11.661 4.123 1.00 1.13 H new ATOM 0 HZ2 TRP A 56 2.836 -15.074 1.725 1.00 1.44 H new ATOM 0 HZ3 TRP A 56 6.555 -12.978 2.283 1.00 1.36 H new ATOM 0 HH2 TRP A 56 5.199 -14.654 1.052 1.00 1.49 H new ATOM 948 N LYS A 57 5.285 -12.582 7.319 1.00 1.14 N ATOM 949 CA LYS A 57 6.019 -13.838 7.315 1.00 1.34 C ATOM 950 C LYS A 57 6.408 -14.285 8.730 1.00 1.49 C ATOM 951 O LYS A 57 6.853 -15.419 8.894 1.00 1.72 O ATOM 952 CB LYS A 57 7.235 -13.699 6.385 1.00 1.40 C ATOM 953 CG LYS A 57 7.924 -15.019 6.001 1.00 1.72 C ATOM 954 CD LYS A 57 7.007 -15.993 5.235 1.00 2.53 C ATOM 955 CE LYS A 57 6.673 -17.232 6.085 1.00 3.86 C ATOM 956 NZ LYS A 57 5.790 -18.186 5.380 1.00 4.54 N ATOM 0 H LYS A 57 5.816 -11.776 6.989 1.00 1.14 H new ATOM 0 HA LYS A 57 5.374 -14.629 6.933 1.00 1.34 H new ATOM 0 HB2 LYS A 57 6.917 -13.195 5.472 1.00 1.40 H new ATOM 0 HB3 LYS A 57 7.968 -13.053 6.867 1.00 1.40 H new ATOM 0 HG2 LYS A 57 8.798 -14.798 5.388 1.00 1.72 H new ATOM 0 HG3 LYS A 57 8.284 -15.508 6.906 1.00 1.72 H new ATOM 0 HD2 LYS A 57 6.086 -15.483 4.954 1.00 2.53 H new ATOM 0 HD3 LYS A 57 7.494 -16.304 4.311 1.00 2.53 H new ATOM 0 HE2 LYS A 57 7.598 -17.737 6.363 1.00 3.86 H new ATOM 0 HE3 LYS A 57 6.193 -16.914 7.010 1.00 3.86 H new ATOM 0 HZ1 LYS A 57 5.915 -19.137 5.782 1.00 4.54 H new ATOM 0 HZ2 LYS A 57 4.799 -17.890 5.493 1.00 4.54 H new ATOM 0 HZ3 LYS A 57 6.034 -18.202 4.369 1.00 4.54 H new ATOM 970 N LYS A 58 6.158 -13.461 9.755 1.00 1.42 N ATOM 971 CA LYS A 58 6.210 -13.890 11.150 1.00 1.59 C ATOM 972 C LYS A 58 4.866 -13.719 11.871 1.00 1.89 C ATOM 973 O LYS A 58 4.869 -13.647 13.098 1.00 2.39 O ATOM 974 CB LYS A 58 7.369 -13.201 11.890 1.00 1.68 C ATOM 975 CG LYS A 58 7.375 -11.676 11.717 1.00 1.83 C ATOM 976 CD LYS A 58 7.792 -10.930 12.996 1.00 2.58 C ATOM 977 CE LYS A 58 6.585 -10.315 13.720 1.00 3.90 C ATOM 978 NZ LYS A 58 5.588 -11.307 14.172 1.00 4.80 N ATOM 0 H LYS A 58 5.914 -12.478 9.636 1.00 1.42 H new ATOM 0 HA LYS A 58 6.408 -14.962 11.155 1.00 1.59 H new ATOM 0 HB2 LYS A 58 7.307 -13.440 12.952 1.00 1.68 H new ATOM 0 HB3 LYS A 58 8.314 -13.605 11.528 1.00 1.68 H new ATOM 0 HG2 LYS A 58 8.056 -11.410 10.909 1.00 1.83 H new ATOM 0 HG3 LYS A 58 6.380 -11.345 11.418 1.00 1.83 H new ATOM 0 HD2 LYS A 58 8.305 -11.619 13.667 1.00 2.58 H new ATOM 0 HD3 LYS A 58 8.502 -10.143 12.742 1.00 2.58 H new ATOM 0 HE2 LYS A 58 6.940 -9.752 14.583 1.00 3.90 H new ATOM 0 HE3 LYS A 58 6.098 -9.603 13.053 1.00 3.90 H new ATOM 0 HZ1 LYS A 58 4.631 -10.920 14.045 1.00 4.80 H new ATOM 0 HZ2 LYS A 58 5.687 -12.178 13.612 1.00 4.80 H new ATOM 0 HZ3 LYS A 58 5.744 -11.522 15.178 1.00 4.80 H new ATOM 992 N GLU A 59 3.749 -13.661 11.140 1.00 1.79 N ATOM 993 CA GLU A 59 2.373 -13.805 11.622 1.00 1.99 C ATOM 994 C GLU A 59 1.570 -14.438 10.472 1.00 2.16 C ATOM 995 O GLU A 59 0.463 -14.007 10.151 1.00 3.28 O ATOM 996 CB GLU A 59 1.764 -12.457 12.077 1.00 2.28 C ATOM 997 CG GLU A 59 2.079 -12.044 13.526 1.00 3.38 C ATOM 998 CD GLU A 59 2.245 -10.540 13.664 1.00 3.84 C ATOM 999 OE1 GLU A 59 1.248 -9.826 13.900 1.00 4.29 O ATOM 1000 OE2 GLU A 59 3.389 -10.053 13.492 1.00 4.44 O ATOM 0 H GLU A 59 3.784 -13.502 10.133 1.00 1.79 H new ATOM 0 HA GLU A 59 2.346 -14.438 12.509 1.00 1.99 H new ATOM 0 HB2 GLU A 59 2.120 -11.673 11.408 1.00 2.28 H new ATOM 0 HB3 GLU A 59 0.682 -12.509 11.959 1.00 2.28 H new ATOM 0 HG2 GLU A 59 1.277 -12.382 14.182 1.00 3.38 H new ATOM 0 HG3 GLU A 59 2.991 -12.541 13.855 1.00 3.38 H new ATOM 1007 N ASN A 60 2.130 -15.478 9.844 1.00 1.87 N ATOM 1008 CA ASN A 60 1.498 -16.246 8.771 1.00 1.93 C ATOM 1009 C ASN A 60 0.407 -17.149 9.366 1.00 3.01 C ATOM 1010 O ASN A 60 0.461 -18.371 9.271 1.00 3.52 O ATOM 1011 CB ASN A 60 2.582 -17.027 7.988 1.00 2.41 C ATOM 1012 CG ASN A 60 2.907 -16.480 6.597 1.00 2.94 C ATOM 1013 OD1 ASN A 60 3.310 -17.239 5.716 1.00 4.15 O ATOM 1014 ND2 ASN A 60 2.808 -15.180 6.354 1.00 2.68 N ATOM 0 H ASN A 60 3.063 -15.817 10.077 1.00 1.87 H new ATOM 0 HA ASN A 60 1.007 -15.586 8.055 1.00 1.93 H new ATOM 0 HB2 ASN A 60 3.498 -17.036 8.579 1.00 2.41 H new ATOM 0 HB3 ASN A 60 2.258 -18.063 7.886 1.00 2.41 H new ATOM 0 HD21 ASN A 60 3.066 -14.811 5.439 1.00 2.68 H new ATOM 0 HD22 ASN A 60 2.474 -14.549 7.083 1.00 2.68 H new ATOM 1021 N LYS A 61 -0.597 -16.530 9.986 1.00 4.24 N ATOM 1022 CA LYS A 61 -1.775 -17.209 10.481 1.00 6.02 C ATOM 1023 C LYS A 61 -2.608 -17.670 9.283 1.00 6.42 C ATOM 1024 O LYS A 61 -2.900 -16.881 8.386 1.00 6.51 O ATOM 1025 CB LYS A 61 -2.595 -16.258 11.356 1.00 7.63 C ATOM 1026 CG LYS A 61 -1.794 -15.595 12.491 1.00 7.55 C ATOM 1027 CD LYS A 61 -2.673 -14.617 13.291 1.00 9.21 C ATOM 1028 CE LYS A 61 -3.184 -15.169 14.630 1.00 9.97 C ATOM 1029 NZ LYS A 61 -3.792 -16.506 14.519 1.00 10.33 N ATOM 0 H LYS A 61 -0.606 -15.525 10.157 1.00 4.24 H new ATOM 0 HA LYS A 61 -1.485 -18.069 11.084 1.00 6.02 H new ATOM 0 HB2 LYS A 61 -3.022 -15.479 10.725 1.00 7.63 H new ATOM 0 HB3 LYS A 61 -3.429 -16.810 11.790 1.00 7.63 H new ATOM 0 HG2 LYS A 61 -1.398 -16.362 13.157 1.00 7.55 H new ATOM 0 HG3 LYS A 61 -0.939 -15.063 12.074 1.00 7.55 H new ATOM 0 HD2 LYS A 61 -2.102 -13.708 13.481 1.00 9.21 H new ATOM 0 HD3 LYS A 61 -3.529 -14.334 12.679 1.00 9.21 H new ATOM 0 HE2 LYS A 61 -2.355 -15.213 15.336 1.00 9.97 H new ATOM 0 HE3 LYS A 61 -3.918 -14.477 15.043 1.00 9.97 H new ATOM 0 HZ1 LYS A 61 -4.100 -16.826 15.459 1.00 10.33 H new ATOM 0 HZ2 LYS A 61 -4.613 -16.462 13.882 1.00 10.33 H new ATOM 0 HZ3 LYS A 61 -3.093 -17.175 14.137 1.00 10.33 H new ATOM 1043 N THR A 62 -3.009 -18.934 9.293 1.00 7.17 N ATOM 1044 CA THR A 62 -4.011 -19.506 8.411 1.00 8.12 C ATOM 1045 C THR A 62 -4.757 -20.585 9.185 1.00 8.46 C ATOM 1046 O THR A 62 -5.959 -20.463 9.410 1.00 9.98 O ATOM 1047 CB THR A 62 -3.397 -19.956 7.073 1.00 7.88 C ATOM 1048 OG1 THR A 62 -4.405 -20.225 6.119 1.00 9.40 O ATOM 1049 CG2 THR A 62 -2.392 -21.108 7.083 1.00 7.76 C ATOM 0 H THR A 62 -2.626 -19.617 9.946 1.00 7.17 H new ATOM 0 HA THR A 62 -4.747 -18.761 8.109 1.00 8.12 H new ATOM 0 HB THR A 62 -2.792 -19.089 6.806 1.00 7.88 H new ATOM 0 HG1 THR A 62 -3.991 -20.507 5.277 1.00 9.40 H new ATOM 0 HG21 THR A 62 -2.053 -21.304 6.066 1.00 7.76 H new ATOM 0 HG22 THR A 62 -1.538 -20.840 7.705 1.00 7.76 H new ATOM 0 HG23 THR A 62 -2.868 -22.002 7.485 1.00 7.76 H new ATOM 1057 N LYS A 63 -4.049 -21.615 9.651 1.00 7.60 N ATOM 1058 CA LYS A 63 -4.615 -22.627 10.504 1.00 8.60 C ATOM 1059 C LYS A 63 -4.781 -22.135 11.945 1.00 9.84 C ATOM 1060 O LYS A 63 -5.484 -22.774 12.727 1.00 11.44 O ATOM 1061 CB LYS A 63 -3.746 -23.886 10.369 1.00 8.28 C ATOM 1062 CG LYS A 63 -2.614 -24.121 11.390 1.00 8.59 C ATOM 1063 CD LYS A 63 -2.671 -25.452 12.160 1.00 9.67 C ATOM 1064 CE LYS A 63 -3.900 -25.715 13.049 1.00 11.01 C ATOM 1065 NZ LYS A 63 -4.151 -24.672 14.067 1.00 11.55 N ATOM 0 H LYS A 63 -3.062 -21.759 9.438 1.00 7.60 H new ATOM 0 HA LYS A 63 -5.631 -22.871 10.193 1.00 8.60 H new ATOM 0 HB2 LYS A 63 -4.409 -24.750 10.407 1.00 8.28 H new ATOM 0 HB3 LYS A 63 -3.297 -23.872 9.376 1.00 8.28 H new ATOM 0 HG2 LYS A 63 -1.660 -24.067 10.865 1.00 8.59 H new ATOM 0 HG3 LYS A 63 -2.627 -23.305 12.112 1.00 8.59 H new ATOM 0 HD2 LYS A 63 -2.603 -26.262 11.434 1.00 9.67 H new ATOM 0 HD3 LYS A 63 -1.783 -25.513 12.789 1.00 9.67 H new ATOM 0 HE2 LYS A 63 -4.781 -25.805 12.413 1.00 11.01 H new ATOM 0 HE3 LYS A 63 -3.771 -26.673 13.552 1.00 11.01 H new ATOM 0 HZ1 LYS A 63 -4.365 -25.122 14.980 1.00 11.55 H new ATOM 0 HZ2 LYS A 63 -3.307 -24.073 14.166 1.00 11.55 H new ATOM 0 HZ3 LYS A 63 -4.958 -24.087 13.772 1.00 11.55 H new ATOM 1079 N GLY A 64 -4.060 -21.083 12.344 1.00 9.34 N ATOM 1080 CA GLY A 64 -3.804 -20.777 13.741 1.00 10.62 C ATOM 1081 C GLY A 64 -2.623 -21.638 14.187 1.00 10.55 C ATOM 1082 O GLY A 64 -2.800 -22.603 14.933 1.00 11.60 O ATOM 0 H GLY A 64 -3.637 -20.419 11.696 1.00 9.34 H new ATOM 0 HA2 GLY A 64 -3.577 -19.718 13.867 1.00 10.62 H new ATOM 0 HA3 GLY A 64 -4.684 -20.988 14.348 1.00 10.62 H new ATOM 1086 N GLU A 65 -1.449 -21.386 13.605 1.00 9.75 N ATOM 1087 CA GLU A 65 -0.274 -22.238 13.722 1.00 10.09 C ATOM 1088 C GLU A 65 0.443 -22.015 15.062 1.00 11.16 C ATOM 1089 O GLU A 65 0.424 -22.904 15.910 1.00 12.18 O ATOM 1090 CB GLU A 65 0.588 -22.288 12.432 1.00 9.48 C ATOM 1091 CG GLU A 65 0.392 -21.212 11.340 1.00 9.30 C ATOM 1092 CD GLU A 65 -0.996 -21.186 10.722 1.00 9.72 C ATOM 1093 OE1 GLU A 65 -1.293 -21.995 9.822 1.00 9.94 O ATOM 1094 OE2 GLU A 65 -1.801 -20.364 11.208 1.00 10.33 O ATOM 0 H GLU A 65 -1.290 -20.562 13.026 1.00 9.75 H new ATOM 0 HA GLU A 65 -0.595 -23.278 13.780 1.00 10.09 H new ATOM 0 HB2 GLU A 65 1.634 -22.256 12.737 1.00 9.48 H new ATOM 0 HB3 GLU A 65 0.422 -23.259 11.966 1.00 9.48 H new ATOM 0 HG2 GLU A 65 0.602 -20.233 11.771 1.00 9.30 H new ATOM 0 HG3 GLU A 65 1.125 -21.377 10.550 1.00 9.30 H new ATOM 1101 N PRO A 66 1.040 -20.839 15.289 1.00 11.37 N ATOM 1102 CA PRO A 66 1.583 -20.449 16.578 1.00 12.80 C ATOM 1103 C PRO A 66 0.434 -20.045 17.507 1.00 14.42 C ATOM 1104 O PRO A 66 0.470 -20.311 18.705 1.00 15.67 O ATOM 1105 CB PRO A 66 2.525 -19.283 16.267 1.00 12.86 C ATOM 1106 CG PRO A 66 1.918 -18.640 15.017 1.00 12.03 C ATOM 1107 CD PRO A 66 1.216 -19.799 14.303 1.00 10.74 C ATOM 0 HA PRO A 66 2.120 -21.248 17.089 1.00 12.80 H new ATOM 0 HB2 PRO A 66 2.573 -18.577 17.096 1.00 12.86 H new ATOM 0 HB3 PRO A 66 3.542 -19.629 16.084 1.00 12.86 H new ATOM 0 HG2 PRO A 66 1.215 -17.848 15.277 1.00 12.03 H new ATOM 0 HG3 PRO A 66 2.686 -18.191 14.387 1.00 12.03 H new ATOM 0 HD2 PRO A 66 0.255 -19.481 13.898 1.00 10.74 H new ATOM 0 HD3 PRO A 66 1.813 -20.157 13.464 1.00 10.74 H new ATOM 1115 N GLY A 67 -0.588 -19.407 16.935 1.00 14.67 N ATOM 1116 CA GLY A 67 -1.828 -19.012 17.562 1.00 16.43 C ATOM 1117 C GLY A 67 -2.678 -18.429 16.437 1.00 16.15 C ATOM 1118 O GLY A 67 -3.720 -17.833 16.703 1.00 16.80 O ATOM 0 H GLY A 67 -0.558 -19.139 15.951 1.00 14.67 H new ATOM 0 HA2 GLY A 67 -2.323 -19.864 18.028 1.00 16.43 H new ATOM 0 HA3 GLY A 67 -1.655 -18.276 18.347 1.00 16.43 H new TER 1122 GLY A 67