USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=18 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 46 LYS NZ :NH3+ -160:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 50 GLN : amide:sc= 0.966 K(o=2.2,f=-8.2!) USER MOD Set 2.1: A 8 TYR OH : rot -6:sc= 1.26 USER MOD Set 2.2: A 44 GLN : amide:sc= -0.721 X(o=0.53,f=1) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.241 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0904 USER MOD Single : A 11 TYR OH : rot -24:sc= 1.24 USER MOD Single : A 12 GLN : amide:sc= 1.24 K(o=1.2,f=-2.3!) USER MOD Single : A 13 THR OG1 : rot 84:sc= 0.81 USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= 0.227 (180deg=-1.77) USER MOD Single : A 21 HIS : no HD1:sc=-0.00294 X(o=-0.0029,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.41 K(o=0.41,f=-4.3!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 36 HIS : no HE2:sc= 0.177 K(o=0.18,f=-4!) USER MOD Single : A 39 SER OG : rot -16:sc= 1.15 USER MOD Single : A 41 THR OG1 : rot -56:sc= 0.106 USER MOD Single : A 51 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.69) USER MOD Single : A 54 MET CE :methyl 177:sc= 0 (180deg=-0.0158) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 0.937 (180deg=0.529) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 155:sc= 1.14 (180deg=0.859) USER MOD Single : A 60 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.084) USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= 1.65 (180deg=1.33) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 0.00833 (180deg=-0.279!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 2.918 8.991 14.680 1.00 5.53 N ATOM 2 CA MET A 6 2.109 9.059 13.450 1.00 4.22 C ATOM 3 C MET A 6 1.481 7.685 13.227 1.00 3.71 C ATOM 4 O MET A 6 1.844 6.753 13.938 1.00 4.52 O ATOM 5 CB MET A 6 2.961 9.467 12.238 1.00 3.89 C ATOM 6 CG MET A 6 3.489 10.905 12.322 1.00 4.59 C ATOM 7 SD MET A 6 4.426 11.416 10.859 1.00 5.56 S ATOM 8 CE MET A 6 4.839 13.116 11.306 1.00 6.85 C ATOM 0 HA MET A 6 1.336 9.819 13.562 1.00 4.22 H new ATOM 0 HB2 MET A 6 3.805 8.783 12.149 1.00 3.89 H new ATOM 0 HB3 MET A 6 2.366 9.359 11.331 1.00 3.89 H new ATOM 0 HG2 MET A 6 2.648 11.585 12.461 1.00 4.59 H new ATOM 0 HG3 MET A 6 4.125 11.000 13.202 1.00 4.59 H new ATOM 0 HE1 MET A 6 5.419 13.572 10.504 1.00 6.85 H new ATOM 0 HE2 MET A 6 3.922 13.685 11.460 1.00 6.85 H new ATOM 0 HE3 MET A 6 5.426 13.118 12.225 1.00 6.85 H new ATOM 18 N THR A 7 0.564 7.564 12.267 1.00 2.79 N ATOM 19 CA THR A 7 -0.035 6.311 11.837 1.00 2.25 C ATOM 20 C THR A 7 -0.751 6.602 10.515 1.00 1.77 C ATOM 21 O THR A 7 -0.557 7.680 9.951 1.00 2.20 O ATOM 22 CB THR A 7 -0.962 5.728 12.922 1.00 2.79 C ATOM 23 OG1 THR A 7 -1.417 4.449 12.527 1.00 4.14 O ATOM 24 CG2 THR A 7 -2.174 6.620 13.215 1.00 2.63 C ATOM 0 H THR A 7 0.208 8.369 11.751 1.00 2.79 H new ATOM 0 HA THR A 7 0.718 5.539 11.681 1.00 2.25 H new ATOM 0 HB THR A 7 -0.372 5.664 13.836 1.00 2.79 H new ATOM 0 HG1 THR A 7 -2.004 4.082 13.221 1.00 4.14 H new ATOM 0 HG21 THR A 7 -2.789 6.157 13.987 1.00 2.63 H new ATOM 0 HG22 THR A 7 -1.833 7.596 13.560 1.00 2.63 H new ATOM 0 HG23 THR A 7 -2.764 6.743 12.306 1.00 2.63 H new ATOM 32 N TYR A 8 -1.573 5.664 10.047 1.00 1.28 N ATOM 33 CA TYR A 8 -2.391 5.779 8.846 1.00 0.90 C ATOM 34 C TYR A 8 -3.828 5.530 9.277 1.00 0.80 C ATOM 35 O TYR A 8 -4.046 4.859 10.286 1.00 1.21 O ATOM 36 CB TYR A 8 -1.946 4.746 7.800 1.00 0.79 C ATOM 37 CG TYR A 8 -0.442 4.592 7.699 1.00 0.96 C ATOM 38 CD1 TYR A 8 0.361 5.743 7.591 1.00 2.20 C ATOM 39 CD2 TYR A 8 0.152 3.353 8.006 1.00 1.03 C ATOM 40 CE1 TYR A 8 1.733 5.673 7.867 1.00 2.69 C ATOM 41 CE2 TYR A 8 1.533 3.278 8.249 1.00 1.28 C ATOM 42 CZ TYR A 8 2.316 4.441 8.202 1.00 1.95 C ATOM 43 OH TYR A 8 3.652 4.365 8.468 1.00 2.52 O ATOM 0 H TYR A 8 -1.690 4.766 10.516 1.00 1.28 H new ATOM 0 HA TYR A 8 -2.290 6.763 8.388 1.00 0.90 H new ATOM 0 HB2 TYR A 8 -2.386 3.780 8.046 1.00 0.79 H new ATOM 0 HB3 TYR A 8 -2.339 5.036 6.826 1.00 0.79 H new ATOM 0 HD1 TYR A 8 -0.082 6.683 7.295 1.00 2.20 H new ATOM 0 HD2 TYR A 8 -0.454 2.461 8.055 1.00 1.03 H new ATOM 0 HE1 TYR A 8 2.340 6.565 7.822 1.00 2.69 H new ATOM 0 HE2 TYR A 8 1.992 2.326 8.472 1.00 1.28 H new ATOM 0 HH TYR A 8 4.071 5.232 8.288 1.00 2.52 H new ATOM 53 N THR A 9 -4.811 6.071 8.555 1.00 0.70 N ATOM 54 CA THR A 9 -6.186 5.877 8.998 1.00 0.71 C ATOM 55 C THR A 9 -6.646 4.438 8.732 1.00 0.57 C ATOM 56 O THR A 9 -5.967 3.637 8.077 1.00 0.48 O ATOM 57 CB THR A 9 -7.134 6.979 8.490 1.00 0.86 C ATOM 58 OG1 THR A 9 -8.418 6.797 9.058 1.00 2.25 O ATOM 59 CG2 THR A 9 -7.276 7.038 6.971 1.00 1.40 C ATOM 0 H THR A 9 -4.690 6.620 7.704 1.00 0.70 H new ATOM 0 HA THR A 9 -6.223 5.997 10.081 1.00 0.71 H new ATOM 0 HB THR A 9 -6.684 7.922 8.799 1.00 0.86 H new ATOM 0 HG1 THR A 9 -9.021 7.499 8.736 1.00 2.25 H new ATOM 0 HG21 THR A 9 -7.961 7.841 6.701 1.00 1.40 H new ATOM 0 HG22 THR A 9 -6.301 7.226 6.521 1.00 1.40 H new ATOM 0 HG23 THR A 9 -7.667 6.089 6.605 1.00 1.40 H new ATOM 67 N ARG A 10 -7.821 4.110 9.269 1.00 0.63 N ATOM 68 CA ARG A 10 -8.400 2.782 9.172 1.00 0.60 C ATOM 69 C ARG A 10 -8.584 2.436 7.708 1.00 0.49 C ATOM 70 O ARG A 10 -8.090 1.409 7.260 1.00 0.42 O ATOM 71 CB ARG A 10 -9.715 2.718 9.943 1.00 0.73 C ATOM 72 CG ARG A 10 -10.071 1.262 10.273 1.00 0.76 C ATOM 73 CD ARG A 10 -10.844 0.509 9.176 1.00 1.88 C ATOM 74 NE ARG A 10 -12.059 1.219 8.738 1.00 2.80 N ATOM 75 CZ ARG A 10 -13.235 1.235 9.389 1.00 3.64 C ATOM 76 NH1 ARG A 10 -13.355 0.610 10.565 1.00 3.74 N ATOM 77 NH2 ARG A 10 -14.284 1.875 8.861 1.00 5.09 N ATOM 0 H ARG A 10 -8.399 4.771 9.788 1.00 0.63 H new ATOM 0 HA ARG A 10 -7.733 2.047 9.622 1.00 0.60 H new ATOM 0 HB2 ARG A 10 -9.633 3.297 10.863 1.00 0.73 H new ATOM 0 HB3 ARG A 10 -10.512 3.169 9.353 1.00 0.73 H new ATOM 0 HG2 ARG A 10 -9.150 0.719 10.483 1.00 0.76 H new ATOM 0 HG3 ARG A 10 -10.665 1.249 11.187 1.00 0.76 H new ATOM 0 HD2 ARG A 10 -10.190 0.356 8.318 1.00 1.88 H new ATOM 0 HD3 ARG A 10 -11.120 -0.478 9.546 1.00 1.88 H new ATOM 0 HE ARG A 10 -12.003 1.744 7.865 1.00 2.80 H new ATOM 0 HH11 ARG A 10 -12.555 0.122 10.967 1.00 3.74 H new ATOM 0 HH12 ARG A 10 -14.247 0.621 11.060 1.00 3.74 H new ATOM 0 HH21 ARG A 10 -14.192 2.351 7.964 1.00 5.09 H new ATOM 0 HH22 ARG A 10 -15.176 1.887 9.356 1.00 5.09 H new ATOM 91 N TYR A 11 -9.281 3.302 6.967 1.00 0.50 N ATOM 92 CA TYR A 11 -9.505 3.102 5.541 1.00 0.45 C ATOM 93 C TYR A 11 -8.195 2.839 4.809 1.00 0.35 C ATOM 94 O TYR A 11 -8.099 1.884 4.050 1.00 0.36 O ATOM 95 CB TYR A 11 -10.197 4.308 4.905 1.00 0.56 C ATOM 96 CG TYR A 11 -10.258 4.198 3.389 1.00 0.65 C ATOM 97 CD1 TYR A 11 -10.847 3.069 2.786 1.00 0.68 C ATOM 98 CD2 TYR A 11 -9.508 5.092 2.598 1.00 0.79 C ATOM 99 CE1 TYR A 11 -10.621 2.796 1.425 1.00 0.84 C ATOM 100 CE2 TYR A 11 -9.314 4.836 1.229 1.00 0.92 C ATOM 101 CZ TYR A 11 -9.841 3.671 0.649 1.00 0.94 C ATOM 102 OH TYR A 11 -9.589 3.389 -0.659 1.00 1.13 O ATOM 0 H TYR A 11 -9.701 4.154 7.339 1.00 0.50 H new ATOM 0 HA TYR A 11 -10.154 2.231 5.446 1.00 0.45 H new ATOM 0 HB2 TYR A 11 -11.208 4.397 5.303 1.00 0.56 H new ATOM 0 HB3 TYR A 11 -9.665 5.218 5.181 1.00 0.56 H new ATOM 0 HD1 TYR A 11 -11.474 2.412 3.370 1.00 0.68 H new ATOM 0 HD2 TYR A 11 -9.081 5.977 3.045 1.00 0.79 H new ATOM 0 HE1 TYR A 11 -11.048 1.912 0.975 1.00 0.84 H new ATOM 0 HE2 TYR A 11 -8.759 5.537 0.623 1.00 0.92 H new ATOM 0 HH TYR A 11 -9.669 2.424 -0.807 1.00 1.13 H new ATOM 112 N GLN A 12 -7.201 3.700 5.023 1.00 0.31 N ATOM 113 CA GLN A 12 -5.890 3.571 4.422 1.00 0.29 C ATOM 114 C GLN A 12 -5.351 2.161 4.674 1.00 0.30 C ATOM 115 O GLN A 12 -5.078 1.413 3.736 1.00 0.32 O ATOM 116 CB GLN A 12 -4.989 4.692 4.970 1.00 0.36 C ATOM 117 CG GLN A 12 -5.197 5.990 4.176 1.00 0.28 C ATOM 118 CD GLN A 12 -4.251 7.111 4.607 1.00 0.36 C ATOM 119 OE1 GLN A 12 -3.749 7.113 5.730 1.00 0.56 O ATOM 120 NE2 GLN A 12 -4.002 8.053 3.697 1.00 0.39 N ATOM 0 H GLN A 12 -7.293 4.516 5.629 1.00 0.31 H new ATOM 0 HA GLN A 12 -5.927 3.691 3.339 1.00 0.29 H new ATOM 0 HB2 GLN A 12 -5.213 4.864 6.023 1.00 0.36 H new ATOM 0 HB3 GLN A 12 -3.944 4.387 4.912 1.00 0.36 H new ATOM 0 HG2 GLN A 12 -5.052 5.788 3.115 1.00 0.28 H new ATOM 0 HG3 GLN A 12 -6.227 6.324 4.299 1.00 0.28 H new ATOM 0 HE21 GLN A 12 -4.444 8.005 2.779 1.00 0.39 H new ATOM 0 HE22 GLN A 12 -3.369 8.822 3.919 1.00 0.39 H new ATOM 129 N THR A 13 -5.264 1.771 5.943 1.00 0.31 N ATOM 130 CA THR A 13 -4.821 0.436 6.323 1.00 0.33 C ATOM 131 C THR A 13 -5.648 -0.655 5.611 1.00 0.31 C ATOM 132 O THR A 13 -5.097 -1.617 5.075 1.00 0.32 O ATOM 133 CB THR A 13 -4.885 0.323 7.856 1.00 0.40 C ATOM 134 OG1 THR A 13 -4.227 1.433 8.441 1.00 0.48 O ATOM 135 CG2 THR A 13 -4.181 -0.958 8.316 1.00 0.44 C ATOM 0 H THR A 13 -5.498 2.371 6.734 1.00 0.31 H new ATOM 0 HA THR A 13 -3.791 0.277 6.003 1.00 0.33 H new ATOM 0 HB THR A 13 -5.931 0.300 8.163 1.00 0.40 H new ATOM 0 HG1 THR A 13 -4.845 2.192 8.488 1.00 0.48 H new ATOM 0 HG21 THR A 13 -4.231 -1.030 9.402 1.00 0.44 H new ATOM 0 HG22 THR A 13 -4.673 -1.823 7.872 1.00 0.44 H new ATOM 0 HG23 THR A 13 -3.138 -0.933 8.001 1.00 0.44 H new ATOM 143 N LEU A 14 -6.973 -0.495 5.580 1.00 0.33 N ATOM 144 CA LEU A 14 -7.905 -1.386 4.905 1.00 0.37 C ATOM 145 C LEU A 14 -7.537 -1.538 3.433 1.00 0.37 C ATOM 146 O LEU A 14 -7.452 -2.648 2.918 1.00 0.41 O ATOM 147 CB LEU A 14 -9.333 -0.811 5.016 1.00 0.42 C ATOM 148 CG LEU A 14 -10.392 -1.856 5.357 1.00 0.85 C ATOM 149 CD1 LEU A 14 -11.768 -1.184 5.439 1.00 0.96 C ATOM 150 CD2 LEU A 14 -10.442 -3.003 4.340 1.00 1.30 C ATOM 0 H LEU A 14 -7.437 0.287 6.042 1.00 0.33 H new ATOM 0 HA LEU A 14 -7.857 -2.366 5.380 1.00 0.37 H new ATOM 0 HB2 LEU A 14 -9.343 -0.034 5.780 1.00 0.42 H new ATOM 0 HB3 LEU A 14 -9.597 -0.334 4.072 1.00 0.42 H new ATOM 0 HG LEU A 14 -10.119 -2.289 6.319 1.00 0.85 H new ATOM 0 HD11 LEU A 14 -12.524 -1.931 5.683 1.00 0.96 H new ATOM 0 HD12 LEU A 14 -11.753 -0.417 6.213 1.00 0.96 H new ATOM 0 HD13 LEU A 14 -12.007 -0.726 4.479 1.00 0.96 H new ATOM 0 HD21 LEU A 14 -11.213 -3.716 4.633 1.00 1.30 H new ATOM 0 HD22 LEU A 14 -10.674 -2.604 3.352 1.00 1.30 H new ATOM 0 HD23 LEU A 14 -9.475 -3.506 4.311 1.00 1.30 H new ATOM 162 N GLU A 15 -7.352 -0.412 2.747 1.00 0.37 N ATOM 163 CA GLU A 15 -7.095 -0.365 1.324 1.00 0.41 C ATOM 164 C GLU A 15 -5.758 -1.038 1.049 1.00 0.35 C ATOM 165 O GLU A 15 -5.623 -1.841 0.131 1.00 0.37 O ATOM 166 CB GLU A 15 -7.138 1.097 0.856 1.00 0.51 C ATOM 167 CG GLU A 15 -7.084 1.238 -0.673 1.00 0.73 C ATOM 168 CD GLU A 15 -8.204 0.452 -1.324 1.00 1.24 C ATOM 169 OE1 GLU A 15 -9.386 0.792 -1.078 1.00 2.31 O ATOM 170 OE2 GLU A 15 -7.924 -0.624 -1.892 1.00 2.30 O ATOM 0 H GLU A 15 -7.379 0.510 3.183 1.00 0.37 H new ATOM 0 HA GLU A 15 -7.856 -0.905 0.761 1.00 0.41 H new ATOM 0 HB2 GLU A 15 -8.050 1.565 1.227 1.00 0.51 H new ATOM 0 HB3 GLU A 15 -6.300 1.639 1.295 1.00 0.51 H new ATOM 0 HG2 GLU A 15 -7.163 2.289 -0.949 1.00 0.73 H new ATOM 0 HG3 GLU A 15 -6.122 0.883 -1.042 1.00 0.73 H new ATOM 177 N LEU A 16 -4.774 -0.750 1.895 1.00 0.32 N ATOM 178 CA LEU A 16 -3.478 -1.376 1.827 1.00 0.30 C ATOM 179 C LEU A 16 -3.588 -2.884 1.941 1.00 0.28 C ATOM 180 O LEU A 16 -3.040 -3.597 1.098 1.00 0.27 O ATOM 181 CB LEU A 16 -2.608 -0.807 2.941 1.00 0.28 C ATOM 182 CG LEU A 16 -1.958 0.476 2.445 1.00 0.28 C ATOM 183 CD1 LEU A 16 -1.537 1.295 3.661 1.00 0.29 C ATOM 184 CD2 LEU A 16 -0.770 0.132 1.547 1.00 0.38 C ATOM 0 H LEU A 16 -4.864 -0.069 2.649 1.00 0.32 H new ATOM 0 HA LEU A 16 -3.023 -1.164 0.859 1.00 0.30 H new ATOM 0 HB2 LEU A 16 -3.211 -0.607 3.827 1.00 0.28 H new ATOM 0 HB3 LEU A 16 -1.845 -1.529 3.231 1.00 0.28 H new ATOM 0 HG LEU A 16 -2.654 1.067 1.849 1.00 0.28 H new ATOM 0 HD11 LEU A 16 -1.067 2.222 3.331 1.00 0.29 H new ATOM 0 HD12 LEU A 16 -2.414 1.528 4.264 1.00 0.29 H new ATOM 0 HD13 LEU A 16 -0.828 0.722 4.258 1.00 0.29 H new ATOM 0 HD21 LEU A 16 -0.304 1.051 1.192 1.00 0.38 H new ATOM 0 HD22 LEU A 16 -0.042 -0.448 2.114 1.00 0.38 H new ATOM 0 HD23 LEU A 16 -1.116 -0.453 0.694 1.00 0.38 H new ATOM 196 N GLU A 17 -4.276 -3.391 2.969 1.00 0.32 N ATOM 197 CA GLU A 17 -4.352 -4.826 3.108 1.00 0.33 C ATOM 198 C GLU A 17 -5.201 -5.439 2.000 1.00 0.38 C ATOM 199 O GLU A 17 -4.874 -6.513 1.509 1.00 0.42 O ATOM 200 CB GLU A 17 -4.786 -5.256 4.513 1.00 0.56 C ATOM 201 CG GLU A 17 -3.823 -6.396 4.892 1.00 0.83 C ATOM 202 CD GLU A 17 -4.284 -7.386 5.954 1.00 1.18 C ATOM 203 OE1 GLU A 17 -5.144 -7.014 6.774 1.00 2.03 O ATOM 204 OE2 GLU A 17 -3.690 -8.496 5.931 1.00 2.16 O ATOM 0 H GLU A 17 -4.764 -2.848 3.681 1.00 0.32 H new ATOM 0 HA GLU A 17 -3.344 -5.224 2.988 1.00 0.33 H new ATOM 0 HB2 GLU A 17 -4.716 -4.428 5.219 1.00 0.56 H new ATOM 0 HB3 GLU A 17 -5.822 -5.595 4.520 1.00 0.56 H new ATOM 0 HG2 GLU A 17 -3.594 -6.958 3.986 1.00 0.83 H new ATOM 0 HG3 GLU A 17 -2.890 -5.948 5.233 1.00 0.83 H new ATOM 211 N LYS A 18 -6.253 -4.743 1.568 1.00 0.44 N ATOM 212 CA LYS A 18 -7.025 -5.131 0.396 1.00 0.52 C ATOM 213 C LYS A 18 -6.110 -5.258 -0.821 1.00 0.51 C ATOM 214 O LYS A 18 -6.212 -6.258 -1.534 1.00 0.62 O ATOM 215 CB LYS A 18 -8.209 -4.177 0.157 1.00 0.62 C ATOM 216 CG LYS A 18 -9.086 -4.659 -1.017 1.00 0.71 C ATOM 217 CD LYS A 18 -10.545 -4.167 -0.964 1.00 2.15 C ATOM 218 CE LYS A 18 -10.784 -2.743 -1.491 1.00 2.50 C ATOM 219 NZ LYS A 18 -9.945 -1.743 -0.813 1.00 3.35 N ATOM 0 H LYS A 18 -6.591 -3.895 2.023 1.00 0.44 H new ATOM 0 HA LYS A 18 -7.465 -6.112 0.575 1.00 0.52 H new ATOM 0 HB2 LYS A 18 -8.813 -4.109 1.062 1.00 0.62 H new ATOM 0 HB3 LYS A 18 -7.835 -3.175 -0.052 1.00 0.62 H new ATOM 0 HG2 LYS A 18 -8.636 -4.325 -1.952 1.00 0.71 H new ATOM 0 HG3 LYS A 18 -9.083 -5.749 -1.034 1.00 0.71 H new ATOM 0 HD2 LYS A 18 -11.163 -4.857 -1.539 1.00 2.15 H new ATOM 0 HD3 LYS A 18 -10.889 -4.216 0.069 1.00 2.15 H new ATOM 0 HE2 LYS A 18 -10.581 -2.717 -2.562 1.00 2.50 H new ATOM 0 HE3 LYS A 18 -11.834 -2.482 -1.359 1.00 2.50 H new ATOM 0 HZ1 LYS A 18 -10.302 -0.789 -1.025 1.00 3.35 H new ATOM 0 HZ2 LYS A 18 -9.975 -1.904 0.214 1.00 3.35 H new ATOM 0 HZ3 LYS A 18 -8.964 -1.828 -1.148 1.00 3.35 H new ATOM 233 N GLU A 19 -5.200 -4.297 -1.048 1.00 0.46 N ATOM 234 CA GLU A 19 -4.243 -4.470 -2.130 1.00 0.53 C ATOM 235 C GLU A 19 -3.440 -5.729 -1.845 1.00 0.59 C ATOM 236 O GLU A 19 -3.499 -6.662 -2.632 1.00 0.86 O ATOM 237 CB GLU A 19 -3.345 -3.243 -2.338 1.00 0.64 C ATOM 238 CG GLU A 19 -2.212 -3.519 -3.355 1.00 1.83 C ATOM 239 CD GLU A 19 -2.684 -3.743 -4.782 1.00 2.02 C ATOM 240 OE1 GLU A 19 -3.885 -3.551 -5.060 1.00 2.28 O ATOM 241 OE2 GLU A 19 -1.817 -3.977 -5.655 1.00 2.90 O ATOM 0 H GLU A 19 -5.114 -3.430 -0.517 1.00 0.46 H new ATOM 0 HA GLU A 19 -4.782 -4.577 -3.071 1.00 0.53 H new ATOM 0 HB2 GLU A 19 -3.950 -2.406 -2.687 1.00 0.64 H new ATOM 0 HB3 GLU A 19 -2.911 -2.946 -1.383 1.00 0.64 H new ATOM 0 HG2 GLU A 19 -1.518 -2.678 -3.343 1.00 1.83 H new ATOM 0 HG3 GLU A 19 -1.654 -4.397 -3.029 1.00 1.83 H new ATOM 248 N PHE A 20 -2.731 -5.772 -0.715 1.00 0.43 N ATOM 249 CA PHE A 20 -1.844 -6.875 -0.363 1.00 0.47 C ATOM 250 C PHE A 20 -2.489 -8.243 -0.616 1.00 0.52 C ATOM 251 O PHE A 20 -1.875 -9.132 -1.212 1.00 0.61 O ATOM 252 CB PHE A 20 -1.408 -6.740 1.097 1.00 0.49 C ATOM 253 CG PHE A 20 -0.244 -7.645 1.444 1.00 0.54 C ATOM 254 CD1 PHE A 20 -0.481 -8.992 1.772 1.00 0.64 C ATOM 255 CD2 PHE A 20 1.074 -7.184 1.282 1.00 0.70 C ATOM 256 CE1 PHE A 20 0.599 -9.872 1.936 1.00 0.76 C ATOM 257 CE2 PHE A 20 2.154 -8.052 1.505 1.00 0.84 C ATOM 258 CZ PHE A 20 1.916 -9.397 1.832 1.00 0.83 C ATOM 0 H PHE A 20 -2.759 -5.032 -0.013 1.00 0.43 H new ATOM 0 HA PHE A 20 -0.968 -6.819 -1.009 1.00 0.47 H new ATOM 0 HB2 PHE A 20 -1.130 -5.705 1.295 1.00 0.49 H new ATOM 0 HB3 PHE A 20 -2.251 -6.973 1.747 1.00 0.49 H new ATOM 0 HD1 PHE A 20 -1.493 -9.348 1.897 1.00 0.64 H new ATOM 0 HD2 PHE A 20 1.256 -6.161 0.986 1.00 0.70 H new ATOM 0 HE1 PHE A 20 0.417 -10.916 2.143 1.00 0.76 H new ATOM 0 HE2 PHE A 20 3.167 -7.686 1.425 1.00 0.84 H new ATOM 0 HZ PHE A 20 2.746 -10.066 2.003 1.00 0.83 H new ATOM 268 N HIS A 21 -3.727 -8.403 -0.141 1.00 0.52 N ATOM 269 CA HIS A 21 -4.566 -9.583 -0.267 1.00 0.67 C ATOM 270 C HIS A 21 -4.873 -9.880 -1.734 1.00 0.70 C ATOM 271 O HIS A 21 -4.734 -11.021 -2.168 1.00 0.90 O ATOM 272 CB HIS A 21 -5.855 -9.358 0.536 1.00 0.87 C ATOM 273 CG HIS A 21 -6.863 -10.471 0.401 1.00 1.78 C ATOM 274 ND1 HIS A 21 -6.885 -11.643 1.122 1.00 2.63 N ATOM 275 CD2 HIS A 21 -7.925 -10.495 -0.463 1.00 3.24 C ATOM 276 CE1 HIS A 21 -7.941 -12.358 0.694 1.00 3.94 C ATOM 277 NE2 HIS A 21 -8.604 -11.700 -0.270 1.00 4.44 N ATOM 0 H HIS A 21 -4.195 -7.658 0.375 1.00 0.52 H new ATOM 0 HA HIS A 21 -4.040 -10.451 0.131 1.00 0.67 H new ATOM 0 HB2 HIS A 21 -5.599 -9.239 1.589 1.00 0.87 H new ATOM 0 HB3 HIS A 21 -6.314 -8.424 0.212 1.00 0.87 H new ATOM 0 HD2 HIS A 21 -8.190 -9.721 -1.168 1.00 3.24 H new ATOM 0 HE1 HIS A 21 -8.218 -13.330 1.075 1.00 3.94 H new ATOM 0 HE2 HIS A 21 -9.438 -12.017 -0.764 1.00 4.44 H new ATOM 285 N PHE A 22 -5.265 -8.861 -2.503 1.00 0.72 N ATOM 286 CA PHE A 22 -5.439 -8.984 -3.943 1.00 0.72 C ATOM 287 C PHE A 22 -4.094 -9.338 -4.597 1.00 0.75 C ATOM 288 O PHE A 22 -3.866 -10.487 -4.981 1.00 1.14 O ATOM 289 CB PHE A 22 -6.056 -7.686 -4.491 1.00 0.71 C ATOM 290 CG PHE A 22 -5.957 -7.527 -5.996 1.00 0.84 C ATOM 291 CD1 PHE A 22 -6.501 -8.507 -6.846 1.00 1.27 C ATOM 292 CD2 PHE A 22 -5.210 -6.465 -6.542 1.00 1.17 C ATOM 293 CE1 PHE A 22 -6.286 -8.434 -8.233 1.00 1.72 C ATOM 294 CE2 PHE A 22 -4.992 -6.395 -7.929 1.00 1.61 C ATOM 295 CZ PHE A 22 -5.529 -7.380 -8.775 1.00 1.81 C ATOM 0 H PHE A 22 -5.469 -7.930 -2.140 1.00 0.72 H new ATOM 0 HA PHE A 22 -6.128 -9.794 -4.184 1.00 0.72 H new ATOM 0 HB2 PHE A 22 -7.107 -7.649 -4.203 1.00 0.71 H new ATOM 0 HB3 PHE A 22 -5.565 -6.837 -4.016 1.00 0.71 H new ATOM 0 HD1 PHE A 22 -7.084 -9.316 -6.432 1.00 1.27 H new ATOM 0 HD2 PHE A 22 -4.804 -5.703 -5.894 1.00 1.17 H new ATOM 0 HE1 PHE A 22 -6.703 -9.189 -8.884 1.00 1.72 H new ATOM 0 HE2 PHE A 22 -4.412 -5.584 -8.344 1.00 1.61 H new ATOM 0 HZ PHE A 22 -5.361 -7.328 -9.841 1.00 1.81 H new ATOM 305 N ASN A 23 -3.172 -8.376 -4.650 1.00 0.61 N ATOM 306 CA ASN A 23 -1.835 -8.475 -5.211 1.00 0.70 C ATOM 307 C ASN A 23 -0.785 -8.137 -4.139 1.00 0.71 C ATOM 308 O ASN A 23 -0.894 -7.137 -3.440 1.00 0.94 O ATOM 309 CB ASN A 23 -1.715 -7.501 -6.393 1.00 0.85 C ATOM 310 CG ASN A 23 -0.255 -7.107 -6.541 1.00 1.14 C ATOM 311 OD1 ASN A 23 0.578 -7.943 -6.885 1.00 1.94 O ATOM 312 ND2 ASN A 23 0.097 -5.914 -6.079 1.00 0.93 N ATOM 0 H ASN A 23 -3.358 -7.446 -4.275 1.00 0.61 H new ATOM 0 HA ASN A 23 -1.659 -9.493 -5.557 1.00 0.70 H new ATOM 0 HB2 ASN A 23 -2.077 -7.969 -7.309 1.00 0.85 H new ATOM 0 HB3 ASN A 23 -2.331 -6.618 -6.221 1.00 0.85 H new ATOM 0 HD21 ASN A 23 1.084 -5.668 -6.001 1.00 0.93 H new ATOM 0 HD22 ASN A 23 -0.619 -5.243 -5.802 1.00 0.93 H new ATOM 319 N ARG A 24 0.289 -8.927 -4.060 1.00 0.81 N ATOM 320 CA ARG A 24 1.430 -8.628 -3.209 1.00 0.77 C ATOM 321 C ARG A 24 2.315 -7.490 -3.740 1.00 0.72 C ATOM 322 O ARG A 24 2.849 -6.718 -2.942 1.00 0.85 O ATOM 323 CB ARG A 24 2.319 -9.875 -3.088 1.00 0.86 C ATOM 324 CG ARG A 24 2.244 -10.578 -1.723 1.00 1.16 C ATOM 325 CD ARG A 24 1.205 -11.702 -1.678 1.00 1.46 C ATOM 326 NE ARG A 24 -0.149 -11.180 -1.905 1.00 2.85 N ATOM 327 CZ ARG A 24 -1.103 -11.771 -2.637 1.00 3.70 C ATOM 328 NH1 ARG A 24 -1.019 -13.062 -2.972 1.00 3.56 N ATOM 329 NH2 ARG A 24 -2.129 -11.025 -3.024 1.00 5.43 N ATOM 0 H ARG A 24 0.386 -9.794 -4.589 1.00 0.81 H new ATOM 0 HA ARG A 24 1.014 -8.317 -2.251 1.00 0.77 H new ATOM 0 HB2 ARG A 24 2.036 -10.585 -3.865 1.00 0.86 H new ATOM 0 HB3 ARG A 24 3.353 -9.589 -3.279 1.00 0.86 H new ATOM 0 HG2 ARG A 24 3.224 -10.988 -1.479 1.00 1.16 H new ATOM 0 HG3 ARG A 24 2.006 -9.842 -0.955 1.00 1.16 H new ATOM 0 HD2 ARG A 24 1.441 -12.450 -2.435 1.00 1.46 H new ATOM 0 HD3 ARG A 24 1.248 -12.202 -0.711 1.00 1.46 H new ATOM 0 HE ARG A 24 -0.384 -10.289 -1.467 1.00 2.85 H new ATOM 0 HH11 ARG A 24 -0.218 -13.616 -2.670 1.00 3.56 H new ATOM 0 HH12 ARG A 24 -1.756 -13.493 -3.530 1.00 3.56 H new ATOM 0 HH21 ARG A 24 -2.170 -10.040 -2.763 1.00 5.43 H new ATOM 0 HH22 ARG A 24 -2.877 -11.436 -3.583 1.00 5.43 H new ATOM 343 N TYR A 25 2.631 -7.495 -5.040 1.00 0.70 N ATOM 344 CA TYR A 25 3.771 -6.780 -5.607 1.00 0.75 C ATOM 345 C TYR A 25 3.300 -5.744 -6.622 1.00 0.76 C ATOM 346 O TYR A 25 2.760 -6.091 -7.666 1.00 1.10 O ATOM 347 CB TYR A 25 4.713 -7.784 -6.279 1.00 0.98 C ATOM 348 CG TYR A 25 5.429 -8.711 -5.317 1.00 1.16 C ATOM 349 CD1 TYR A 25 6.497 -8.224 -4.540 1.00 1.34 C ATOM 350 CD2 TYR A 25 5.059 -10.065 -5.224 1.00 1.57 C ATOM 351 CE1 TYR A 25 7.196 -9.089 -3.681 1.00 1.61 C ATOM 352 CE2 TYR A 25 5.735 -10.919 -4.336 1.00 1.78 C ATOM 353 CZ TYR A 25 6.824 -10.441 -3.592 1.00 1.69 C ATOM 354 OH TYR A 25 7.487 -11.279 -2.746 1.00 2.04 O ATOM 0 H TYR A 25 2.089 -8.006 -5.737 1.00 0.70 H new ATOM 0 HA TYR A 25 4.301 -6.261 -4.808 1.00 0.75 H new ATOM 0 HB2 TYR A 25 4.140 -8.385 -6.985 1.00 0.98 H new ATOM 0 HB3 TYR A 25 5.457 -7.235 -6.857 1.00 0.98 H new ATOM 0 HD1 TYR A 25 6.780 -7.184 -4.604 1.00 1.34 H new ATOM 0 HD2 TYR A 25 4.255 -10.448 -5.835 1.00 1.57 H new ATOM 0 HE1 TYR A 25 8.019 -8.715 -3.090 1.00 1.61 H new ATOM 0 HE2 TYR A 25 5.416 -11.945 -4.226 1.00 1.78 H new ATOM 0 HH TYR A 25 7.102 -12.178 -2.807 1.00 2.04 H new ATOM 364 N LEU A 26 3.502 -4.466 -6.309 1.00 0.80 N ATOM 365 CA LEU A 26 3.056 -3.373 -7.142 1.00 0.80 C ATOM 366 C LEU A 26 4.093 -3.118 -8.238 1.00 0.97 C ATOM 367 O LEU A 26 5.240 -3.542 -8.116 1.00 1.56 O ATOM 368 CB LEU A 26 2.916 -2.123 -6.271 1.00 0.81 C ATOM 369 CG LEU A 26 1.692 -2.162 -5.347 1.00 0.91 C ATOM 370 CD1 LEU A 26 1.892 -1.177 -4.191 1.00 1.16 C ATOM 371 CD2 LEU A 26 0.421 -1.806 -6.122 1.00 1.02 C ATOM 0 H LEU A 26 3.984 -4.167 -5.462 1.00 0.80 H new ATOM 0 HA LEU A 26 2.098 -3.616 -7.602 1.00 0.80 H new ATOM 0 HB2 LEU A 26 3.816 -2.007 -5.666 1.00 0.81 H new ATOM 0 HB3 LEU A 26 2.849 -1.246 -6.914 1.00 0.81 H new ATOM 0 HG LEU A 26 1.582 -3.171 -4.950 1.00 0.91 H new ATOM 0 HD11 LEU A 26 1.022 -1.205 -3.535 1.00 1.16 H new ATOM 0 HD12 LEU A 26 2.782 -1.455 -3.626 1.00 1.16 H new ATOM 0 HD13 LEU A 26 2.014 -0.169 -4.589 1.00 1.16 H new ATOM 0 HD21 LEU A 26 -0.436 -1.839 -5.450 1.00 1.02 H new ATOM 0 HD22 LEU A 26 0.517 -0.803 -6.538 1.00 1.02 H new ATOM 0 HD23 LEU A 26 0.276 -2.522 -6.931 1.00 1.02 H new ATOM 383 N THR A 27 3.689 -2.404 -9.294 1.00 0.81 N ATOM 384 CA THR A 27 4.578 -2.027 -10.387 1.00 1.04 C ATOM 385 C THR A 27 5.108 -0.606 -10.131 1.00 1.26 C ATOM 386 O THR A 27 5.899 -0.406 -9.213 1.00 2.81 O ATOM 387 CB THR A 27 3.828 -2.224 -11.728 1.00 1.21 C ATOM 388 OG1 THR A 27 4.444 -1.514 -12.784 1.00 2.17 O ATOM 389 CG2 THR A 27 2.351 -1.805 -11.686 1.00 1.34 C ATOM 0 H THR A 27 2.732 -2.072 -9.411 1.00 0.81 H new ATOM 0 HA THR A 27 5.462 -2.662 -10.446 1.00 1.04 H new ATOM 0 HB THR A 27 3.878 -3.299 -11.902 1.00 1.21 H new ATOM 0 HG1 THR A 27 3.945 -1.663 -13.614 1.00 2.17 H new ATOM 0 HG21 THR A 27 1.897 -1.974 -12.662 1.00 1.34 H new ATOM 0 HG22 THR A 27 1.826 -2.396 -10.935 1.00 1.34 H new ATOM 0 HG23 THR A 27 2.280 -0.748 -11.431 1.00 1.34 H new ATOM 397 N ARG A 28 4.629 0.395 -10.879 1.00 0.90 N ATOM 398 CA ARG A 28 5.125 1.767 -10.816 1.00 0.91 C ATOM 399 C ARG A 28 3.957 2.743 -10.949 1.00 0.75 C ATOM 400 O ARG A 28 3.640 3.471 -10.009 1.00 0.76 O ATOM 401 CB ARG A 28 6.214 1.965 -11.886 1.00 1.31 C ATOM 402 CG ARG A 28 7.114 3.191 -11.651 1.00 1.71 C ATOM 403 CD ARG A 28 6.475 4.548 -11.989 1.00 2.38 C ATOM 404 NE ARG A 28 6.013 4.624 -13.388 1.00 3.39 N ATOM 405 CZ ARG A 28 6.795 4.851 -14.459 1.00 4.21 C ATOM 406 NH1 ARG A 28 8.118 4.985 -14.307 1.00 4.32 N ATOM 407 NH2 ARG A 28 6.253 4.945 -15.679 1.00 5.76 N ATOM 0 H ARG A 28 3.875 0.268 -11.554 1.00 0.90 H new ATOM 0 HA ARG A 28 5.589 1.968 -9.851 1.00 0.91 H new ATOM 0 HB2 ARG A 28 6.838 1.072 -11.923 1.00 1.31 H new ATOM 0 HB3 ARG A 28 5.736 2.061 -12.861 1.00 1.31 H new ATOM 0 HG2 ARG A 28 7.419 3.202 -10.605 1.00 1.71 H new ATOM 0 HG3 ARG A 28 8.020 3.076 -12.246 1.00 1.71 H new ATOM 0 HD2 ARG A 28 5.632 4.725 -11.321 1.00 2.38 H new ATOM 0 HD3 ARG A 28 7.199 5.342 -11.805 1.00 2.38 H new ATOM 0 HE ARG A 28 5.016 4.493 -13.558 1.00 3.39 H new ATOM 0 HH11 ARG A 28 8.534 4.915 -13.378 1.00 4.32 H new ATOM 0 HH12 ARG A 28 8.710 5.157 -15.120 1.00 4.32 H new ATOM 0 HH21 ARG A 28 5.245 4.845 -15.798 1.00 5.76 H new ATOM 0 HH22 ARG A 28 6.848 5.117 -16.489 1.00 5.76 H new ATOM 421 N ARG A 29 3.287 2.771 -12.105 1.00 0.83 N ATOM 422 CA ARG A 29 2.173 3.696 -12.269 1.00 0.89 C ATOM 423 C ARG A 29 1.032 3.337 -11.317 1.00 0.86 C ATOM 424 O ARG A 29 0.400 4.237 -10.754 1.00 0.86 O ATOM 425 CB ARG A 29 1.719 3.779 -13.735 1.00 1.28 C ATOM 426 CG ARG A 29 0.566 4.775 -13.950 1.00 1.52 C ATOM 427 CD ARG A 29 0.950 6.237 -13.660 1.00 3.09 C ATOM 428 NE ARG A 29 -0.238 7.104 -13.622 1.00 3.51 N ATOM 429 CZ ARG A 29 -1.030 7.276 -12.549 1.00 4.00 C ATOM 430 NH1 ARG A 29 -0.783 6.649 -11.398 1.00 4.56 N ATOM 431 NH2 ARG A 29 -2.106 8.063 -12.612 1.00 4.72 N ATOM 0 H ARG A 29 3.490 2.183 -12.914 1.00 0.83 H new ATOM 0 HA ARG A 29 2.513 4.696 -12.001 1.00 0.89 H new ATOM 0 HB2 ARG A 29 2.566 4.072 -14.356 1.00 1.28 H new ATOM 0 HB3 ARG A 29 1.405 2.790 -14.069 1.00 1.28 H new ATOM 0 HG2 ARG A 29 0.218 4.697 -14.980 1.00 1.52 H new ATOM 0 HG3 ARG A 29 -0.270 4.494 -13.309 1.00 1.52 H new ATOM 0 HD2 ARG A 29 1.476 6.295 -12.707 1.00 3.09 H new ATOM 0 HD3 ARG A 29 1.639 6.593 -14.426 1.00 3.09 H new ATOM 0 HE ARG A 29 -0.479 7.612 -14.473 1.00 3.51 H new ATOM 0 HH11 ARG A 29 0.020 6.025 -11.319 1.00 4.56 H new ATOM 0 HH12 ARG A 29 -1.397 6.794 -10.596 1.00 4.56 H new ATOM 0 HH21 ARG A 29 -2.336 8.543 -13.482 1.00 4.72 H new ATOM 0 HH22 ARG A 29 -2.698 8.184 -11.790 1.00 4.72 H new ATOM 445 N ARG A 30 0.789 2.033 -11.124 1.00 0.91 N ATOM 446 CA ARG A 30 -0.190 1.585 -10.152 1.00 0.91 C ATOM 447 C ARG A 30 0.283 2.005 -8.753 1.00 0.74 C ATOM 448 O ARG A 30 -0.484 2.569 -7.994 1.00 0.68 O ATOM 449 CB ARG A 30 -0.476 0.079 -10.257 1.00 1.12 C ATOM 450 CG ARG A 30 -1.954 -0.275 -9.977 1.00 1.70 C ATOM 451 CD ARG A 30 -2.568 0.437 -8.754 1.00 1.38 C ATOM 452 NE ARG A 30 -3.757 -0.243 -8.206 1.00 1.38 N ATOM 453 CZ ARG A 30 -3.684 -1.334 -7.432 1.00 1.87 C ATOM 454 NH1 ARG A 30 -2.487 -1.893 -7.273 1.00 3.54 N ATOM 455 NH2 ARG A 30 -4.765 -1.833 -6.831 1.00 2.29 N ATOM 0 H ARG A 30 1.259 1.282 -11.630 1.00 0.91 H new ATOM 0 HA ARG A 30 -1.147 2.063 -10.360 1.00 0.91 H new ATOM 0 HB2 ARG A 30 -0.208 -0.268 -11.255 1.00 1.12 H new ATOM 0 HB3 ARG A 30 0.160 -0.456 -9.552 1.00 1.12 H new ATOM 0 HG2 ARG A 30 -2.546 -0.028 -10.859 1.00 1.70 H new ATOM 0 HG3 ARG A 30 -2.034 -1.352 -9.831 1.00 1.70 H new ATOM 0 HD2 ARG A 30 -1.812 0.514 -7.972 1.00 1.38 H new ATOM 0 HD3 ARG A 30 -2.840 1.454 -9.036 1.00 1.38 H new ATOM 0 HE ARG A 30 -4.678 0.135 -8.427 1.00 1.38 H new ATOM 0 HH11 ARG A 30 -1.671 -1.489 -7.732 1.00 3.54 H new ATOM 0 HH12 ARG A 30 -2.386 -2.725 -6.692 1.00 3.54 H new ATOM 0 HH21 ARG A 30 -5.672 -1.383 -6.956 1.00 2.29 H new ATOM 0 HH22 ARG A 30 -4.685 -2.665 -6.246 1.00 2.29 H new ATOM 469 N ARG A 31 1.547 1.764 -8.399 1.00 0.76 N ATOM 470 CA ARG A 31 2.194 2.186 -7.181 1.00 0.87 C ATOM 471 C ARG A 31 1.850 3.650 -6.868 1.00 0.76 C ATOM 472 O ARG A 31 1.469 3.978 -5.745 1.00 0.85 O ATOM 473 CB ARG A 31 3.698 1.995 -7.478 1.00 1.21 C ATOM 474 CG ARG A 31 4.427 1.291 -6.366 1.00 1.88 C ATOM 475 CD ARG A 31 4.458 2.142 -5.126 1.00 1.10 C ATOM 476 NE ARG A 31 5.646 3.005 -5.135 1.00 1.86 N ATOM 477 CZ ARG A 31 6.042 3.741 -4.095 1.00 2.43 C ATOM 478 NH1 ARG A 31 5.428 3.578 -2.929 1.00 3.06 N ATOM 479 NH2 ARG A 31 7.012 4.639 -4.239 1.00 3.40 N ATOM 0 H ARG A 31 2.176 1.234 -9.003 1.00 0.76 H new ATOM 0 HA ARG A 31 1.877 1.621 -6.304 1.00 0.87 H new ATOM 0 HB2 ARG A 31 3.812 1.424 -8.400 1.00 1.21 H new ATOM 0 HB3 ARG A 31 4.157 2.969 -7.648 1.00 1.21 H new ATOM 0 HG2 ARG A 31 3.938 0.341 -6.149 1.00 1.88 H new ATOM 0 HG3 ARG A 31 5.445 1.061 -6.681 1.00 1.88 H new ATOM 0 HD2 ARG A 31 3.556 2.752 -5.072 1.00 1.10 H new ATOM 0 HD3 ARG A 31 4.467 1.507 -4.240 1.00 1.10 H new ATOM 0 HE ARG A 31 6.203 3.044 -5.989 1.00 1.86 H new ATOM 0 HH11 ARG A 31 4.670 2.901 -2.842 1.00 3.06 H new ATOM 0 HH12 ARG A 31 5.714 4.130 -2.120 1.00 3.06 H new ATOM 0 HH21 ARG A 31 7.457 4.768 -5.148 1.00 3.40 H new ATOM 0 HH22 ARG A 31 7.311 5.199 -3.441 1.00 3.40 H new ATOM 493 N ILE A 32 1.949 4.529 -7.865 1.00 0.66 N ATOM 494 CA ILE A 32 1.481 5.896 -7.693 1.00 0.65 C ATOM 495 C ILE A 32 -0.027 5.922 -7.411 1.00 0.63 C ATOM 496 O ILE A 32 -0.445 6.546 -6.438 1.00 0.76 O ATOM 497 CB ILE A 32 1.917 6.770 -8.882 1.00 0.69 C ATOM 498 CG1 ILE A 32 3.421 7.093 -8.812 1.00 0.83 C ATOM 499 CG2 ILE A 32 1.101 8.063 -8.958 1.00 0.95 C ATOM 500 CD1 ILE A 32 3.805 8.053 -7.676 1.00 1.10 C ATOM 0 H ILE A 32 2.342 4.321 -8.783 1.00 0.66 H new ATOM 0 HA ILE A 32 1.951 6.337 -6.814 1.00 0.65 H new ATOM 0 HB ILE A 32 1.728 6.196 -9.789 1.00 0.69 H new ATOM 0 HG12 ILE A 32 3.976 6.163 -8.690 1.00 0.83 H new ATOM 0 HG13 ILE A 32 3.733 7.528 -9.762 1.00 0.83 H new ATOM 0 HG21 ILE A 32 1.436 8.655 -9.809 1.00 0.95 H new ATOM 0 HG22 ILE A 32 0.045 7.820 -9.078 1.00 0.95 H new ATOM 0 HG23 ILE A 32 1.240 8.635 -8.041 1.00 0.95 H new ATOM 0 HD11 ILE A 32 4.881 8.229 -7.696 1.00 1.10 H new ATOM 0 HD12 ILE A 32 3.280 8.999 -7.806 1.00 1.10 H new ATOM 0 HD13 ILE A 32 3.527 7.613 -6.718 1.00 1.10 H new ATOM 512 N GLU A 33 -0.855 5.253 -8.221 1.00 0.57 N ATOM 513 CA GLU A 33 -2.285 5.235 -8.033 1.00 0.59 C ATOM 514 C GLU A 33 -2.684 4.785 -6.628 1.00 0.58 C ATOM 515 O GLU A 33 -3.604 5.356 -6.058 1.00 0.61 O ATOM 516 CB GLU A 33 -2.831 4.228 -9.044 1.00 0.62 C ATOM 517 CG GLU A 33 -3.249 4.866 -10.359 1.00 0.85 C ATOM 518 CD GLU A 33 -3.904 6.239 -10.269 1.00 2.68 C ATOM 519 OE1 GLU A 33 -5.136 6.291 -10.116 1.00 3.31 O ATOM 520 OE2 GLU A 33 -3.128 7.226 -10.358 1.00 4.14 O ATOM 0 H GLU A 33 -0.537 4.711 -9.025 1.00 0.57 H new ATOM 0 HA GLU A 33 -2.683 6.240 -8.169 1.00 0.59 H new ATOM 0 HB2 GLU A 33 -2.071 3.471 -9.240 1.00 0.62 H new ATOM 0 HB3 GLU A 33 -3.688 3.714 -8.609 1.00 0.62 H new ATOM 0 HG2 GLU A 33 -2.367 4.950 -10.994 1.00 0.85 H new ATOM 0 HG3 GLU A 33 -3.941 4.190 -10.862 1.00 0.85 H new ATOM 527 N ILE A 34 -2.051 3.758 -6.056 1.00 0.61 N ATOM 528 CA ILE A 34 -2.433 3.324 -4.727 1.00 0.66 C ATOM 529 C ILE A 34 -2.104 4.446 -3.729 1.00 0.65 C ATOM 530 O ILE A 34 -2.926 4.748 -2.862 1.00 0.74 O ATOM 531 CB ILE A 34 -1.923 1.896 -4.421 1.00 0.78 C ATOM 532 CG1 ILE A 34 -1.770 1.577 -2.934 1.00 1.00 C ATOM 533 CG2 ILE A 34 -0.584 1.491 -5.026 1.00 0.80 C ATOM 534 CD1 ILE A 34 -2.448 0.241 -2.633 1.00 1.48 C ATOM 0 H ILE A 34 -1.292 3.229 -6.485 1.00 0.61 H new ATOM 0 HA ILE A 34 -3.510 3.182 -4.634 1.00 0.66 H new ATOM 0 HB ILE A 34 -2.732 1.337 -4.892 1.00 0.78 H new ATOM 0 HG12 ILE A 34 -0.714 1.531 -2.667 1.00 1.00 H new ATOM 0 HG13 ILE A 34 -2.217 2.369 -2.332 1.00 1.00 H new ATOM 0 HG21 ILE A 34 -0.347 0.468 -4.733 1.00 0.80 H new ATOM 0 HG22 ILE A 34 -0.642 1.553 -6.113 1.00 0.80 H new ATOM 0 HG23 ILE A 34 0.196 2.162 -4.666 1.00 0.80 H new ATOM 0 HD11 ILE A 34 -2.341 0.009 -1.573 1.00 1.48 H new ATOM 0 HD12 ILE A 34 -3.506 0.305 -2.886 1.00 1.48 H new ATOM 0 HD13 ILE A 34 -1.981 -0.546 -3.225 1.00 1.48 H new ATOM 546 N ALA A 35 -0.965 5.138 -3.879 1.00 0.60 N ATOM 547 CA ALA A 35 -0.728 6.309 -3.043 1.00 0.64 C ATOM 548 C ALA A 35 -1.806 7.368 -3.254 1.00 0.65 C ATOM 549 O ALA A 35 -2.326 7.867 -2.263 1.00 0.74 O ATOM 550 CB ALA A 35 0.678 6.891 -3.223 1.00 0.71 C ATOM 0 H ALA A 35 -0.225 4.915 -4.544 1.00 0.60 H new ATOM 0 HA ALA A 35 -0.789 5.971 -2.008 1.00 0.64 H new ATOM 0 HB1 ALA A 35 0.797 7.760 -2.576 1.00 0.71 H new ATOM 0 HB2 ALA A 35 1.420 6.138 -2.959 1.00 0.71 H new ATOM 0 HB3 ALA A 35 0.818 7.190 -4.262 1.00 0.71 H new ATOM 556 N HIS A 36 -2.173 7.686 -4.503 1.00 0.68 N ATOM 557 CA HIS A 36 -3.279 8.605 -4.782 1.00 0.73 C ATOM 558 C HIS A 36 -4.544 8.192 -4.030 1.00 0.68 C ATOM 559 O HIS A 36 -5.100 8.975 -3.265 1.00 0.74 O ATOM 560 CB HIS A 36 -3.594 8.681 -6.285 1.00 0.77 C ATOM 561 CG HIS A 36 -2.507 9.245 -7.156 1.00 0.80 C ATOM 562 ND1 HIS A 36 -2.422 9.101 -8.525 1.00 1.00 N ATOM 563 CD2 HIS A 36 -1.588 10.186 -6.777 1.00 0.75 C ATOM 564 CE1 HIS A 36 -1.478 9.954 -8.955 1.00 0.91 C ATOM 565 NE2 HIS A 36 -0.930 10.626 -7.929 1.00 0.80 N ATOM 0 H HIS A 36 -1.717 7.317 -5.337 1.00 0.68 H new ATOM 0 HA HIS A 36 -2.957 9.589 -4.440 1.00 0.73 H new ATOM 0 HB2 HIS A 36 -3.832 7.677 -6.638 1.00 0.77 H new ATOM 0 HB3 HIS A 36 -4.491 9.286 -6.418 1.00 0.77 H new ATOM 0 HD1 HIS A 36 -2.973 8.466 -9.103 1.00 1.00 H new ATOM 0 HD2 HIS A 36 -1.404 10.527 -5.769 1.00 0.75 H new ATOM 0 HE1 HIS A 36 -1.196 10.083 -9.990 1.00 0.91 H new ATOM 573 N ALA A 37 -4.990 6.956 -4.259 1.00 0.62 N ATOM 574 CA ALA A 37 -6.215 6.402 -3.710 1.00 0.63 C ATOM 575 C ALA A 37 -6.234 6.514 -2.190 1.00 0.58 C ATOM 576 O ALA A 37 -7.273 6.813 -1.607 1.00 0.63 O ATOM 577 CB ALA A 37 -6.365 4.944 -4.150 1.00 0.67 C ATOM 0 H ALA A 37 -4.487 6.296 -4.852 1.00 0.62 H new ATOM 0 HA ALA A 37 -7.060 6.975 -4.092 1.00 0.63 H new ATOM 0 HB1 ALA A 37 -7.285 4.532 -3.736 1.00 0.67 H new ATOM 0 HB2 ALA A 37 -6.402 4.894 -5.238 1.00 0.67 H new ATOM 0 HB3 ALA A 37 -5.514 4.366 -3.790 1.00 0.67 H new ATOM 583 N LEU A 38 -5.091 6.281 -1.536 1.00 0.54 N ATOM 584 CA LEU A 38 -5.041 6.436 -0.092 1.00 0.49 C ATOM 585 C LEU A 38 -4.926 7.900 0.296 1.00 0.46 C ATOM 586 O LEU A 38 -5.429 8.323 1.333 1.00 0.52 O ATOM 587 CB LEU A 38 -3.861 5.676 0.490 1.00 0.48 C ATOM 588 CG LEU A 38 -4.241 4.267 0.943 1.00 1.00 C ATOM 589 CD1 LEU A 38 -4.335 3.308 -0.238 1.00 1.84 C ATOM 590 CD2 LEU A 38 -3.225 3.739 1.951 1.00 2.53 C ATOM 0 H LEU A 38 -4.216 5.993 -1.974 1.00 0.54 H new ATOM 0 HA LEU A 38 -5.969 6.031 0.311 1.00 0.49 H new ATOM 0 HB2 LEU A 38 -3.069 5.613 -0.256 1.00 0.48 H new ATOM 0 HB3 LEU A 38 -3.458 6.231 1.337 1.00 0.48 H new ATOM 0 HG LEU A 38 -5.222 4.328 1.415 1.00 1.00 H new ATOM 0 HD11 LEU A 38 -4.607 2.315 0.120 1.00 1.84 H new ATOM 0 HD12 LEU A 38 -5.094 3.663 -0.935 1.00 1.84 H new ATOM 0 HD13 LEU A 38 -3.371 3.259 -0.745 1.00 1.84 H new ATOM 0 HD21 LEU A 38 -3.511 2.735 2.263 1.00 2.53 H new ATOM 0 HD22 LEU A 38 -2.238 3.709 1.490 1.00 2.53 H new ATOM 0 HD23 LEU A 38 -3.200 4.396 2.820 1.00 2.53 H new ATOM 602 N SER A 39 -4.177 8.635 -0.512 1.00 0.44 N ATOM 603 CA SER A 39 -3.531 9.891 -0.216 1.00 0.47 C ATOM 604 C SER A 39 -2.505 9.726 0.904 1.00 0.48 C ATOM 605 O SER A 39 -2.350 10.582 1.771 1.00 0.60 O ATOM 606 CB SER A 39 -4.497 11.079 -0.155 1.00 0.58 C ATOM 607 OG SER A 39 -5.378 11.020 0.949 1.00 1.57 O ATOM 0 H SER A 39 -3.994 8.337 -1.470 1.00 0.44 H new ATOM 0 HA SER A 39 -2.922 10.195 -1.067 1.00 0.47 H new ATOM 0 HB2 SER A 39 -3.923 12.004 -0.105 1.00 0.58 H new ATOM 0 HB3 SER A 39 -5.079 11.114 -1.076 1.00 0.58 H new ATOM 0 HG SER A 39 -5.382 10.111 1.316 1.00 1.57 H new ATOM 613 N LEU A 40 -1.752 8.620 0.834 1.00 0.76 N ATOM 614 CA LEU A 40 -0.516 8.462 1.586 1.00 0.84 C ATOM 615 C LEU A 40 0.666 9.084 0.849 1.00 0.78 C ATOM 616 O LEU A 40 0.641 9.332 -0.353 1.00 0.95 O ATOM 617 CB LEU A 40 -0.220 6.986 1.885 1.00 0.83 C ATOM 618 CG LEU A 40 -0.828 6.471 3.196 1.00 1.13 C ATOM 619 CD1 LEU A 40 -0.300 5.054 3.436 1.00 1.33 C ATOM 620 CD2 LEU A 40 -0.455 7.315 4.419 1.00 1.22 C ATOM 0 H LEU A 40 -1.988 7.815 0.253 1.00 0.76 H new ATOM 0 HA LEU A 40 -0.655 8.985 2.532 1.00 0.84 H new ATOM 0 HB2 LEU A 40 -0.595 6.379 1.061 1.00 0.83 H new ATOM 0 HB3 LEU A 40 0.860 6.844 1.919 1.00 0.83 H new ATOM 0 HG LEU A 40 -1.912 6.514 3.085 1.00 1.13 H new ATOM 0 HD11 LEU A 40 -0.717 4.663 4.364 1.00 1.33 H new ATOM 0 HD12 LEU A 40 -0.594 4.411 2.606 1.00 1.33 H new ATOM 0 HD13 LEU A 40 0.787 5.078 3.509 1.00 1.33 H new ATOM 0 HD21 LEU A 40 -0.920 6.891 5.309 1.00 1.22 H new ATOM 0 HD22 LEU A 40 0.628 7.318 4.542 1.00 1.22 H new ATOM 0 HD23 LEU A 40 -0.807 8.337 4.277 1.00 1.22 H new ATOM 632 N THR A 41 1.751 9.270 1.598 1.00 0.92 N ATOM 633 CA THR A 41 2.946 9.989 1.198 1.00 1.10 C ATOM 634 C THR A 41 3.930 9.008 0.551 1.00 1.15 C ATOM 635 O THR A 41 5.087 8.923 0.952 1.00 1.70 O ATOM 636 CB THR A 41 3.482 10.786 2.411 1.00 1.47 C ATOM 637 OG1 THR A 41 4.584 11.586 2.040 1.00 1.93 O ATOM 638 CG2 THR A 41 3.848 9.916 3.625 1.00 1.74 C ATOM 0 H THR A 41 1.818 8.902 2.547 1.00 0.92 H new ATOM 0 HA THR A 41 2.747 10.737 0.430 1.00 1.10 H new ATOM 0 HB THR A 41 2.654 11.419 2.728 1.00 1.47 H new ATOM 0 HG1 THR A 41 5.277 11.022 1.637 1.00 1.93 H new ATOM 0 HG21 THR A 41 4.215 10.552 4.431 1.00 1.74 H new ATOM 0 HG22 THR A 41 2.965 9.374 3.964 1.00 1.74 H new ATOM 0 HG23 THR A 41 4.624 9.205 3.342 1.00 1.74 H new ATOM 646 N GLU A 42 3.432 8.255 -0.441 1.00 0.78 N ATOM 647 CA GLU A 42 4.108 7.527 -1.519 1.00 0.82 C ATOM 648 C GLU A 42 5.254 6.639 -1.041 1.00 0.70 C ATOM 649 O GLU A 42 5.161 5.410 -1.041 1.00 0.68 O ATOM 650 CB GLU A 42 4.502 8.547 -2.609 1.00 1.25 C ATOM 651 CG GLU A 42 4.600 7.986 -4.038 1.00 1.70 C ATOM 652 CD GLU A 42 5.865 7.200 -4.334 1.00 1.85 C ATOM 653 OE1 GLU A 42 6.739 7.106 -3.438 1.00 2.86 O ATOM 654 OE2 GLU A 42 5.968 6.633 -5.443 1.00 2.53 O ATOM 0 H GLU A 42 2.422 8.129 -0.512 1.00 0.78 H new ATOM 0 HA GLU A 42 3.420 6.800 -1.951 1.00 0.82 H new ATOM 0 HB2 GLU A 42 3.772 9.357 -2.605 1.00 1.25 H new ATOM 0 HB3 GLU A 42 5.464 8.984 -2.342 1.00 1.25 H new ATOM 0 HG2 GLU A 42 3.739 7.342 -4.219 1.00 1.70 H new ATOM 0 HG3 GLU A 42 4.532 8.815 -4.743 1.00 1.70 H new ATOM 661 N ARG A 43 6.316 7.262 -0.560 1.00 0.75 N ATOM 662 CA ARG A 43 7.370 6.589 0.178 1.00 0.81 C ATOM 663 C ARG A 43 6.732 5.742 1.281 1.00 0.70 C ATOM 664 O ARG A 43 7.100 4.587 1.485 1.00 0.68 O ATOM 665 CB ARG A 43 8.364 7.604 0.739 1.00 0.93 C ATOM 666 CG ARG A 43 8.838 8.654 -0.279 1.00 2.62 C ATOM 667 CD ARG A 43 9.529 8.038 -1.503 1.00 3.99 C ATOM 668 NE ARG A 43 10.043 9.089 -2.398 1.00 5.28 N ATOM 669 CZ ARG A 43 9.351 9.722 -3.362 1.00 6.39 C ATOM 670 NH1 ARG A 43 8.120 9.330 -3.704 1.00 6.80 N ATOM 671 NH2 ARG A 43 9.905 10.767 -3.990 1.00 7.68 N ATOM 0 H ARG A 43 6.472 8.264 -0.673 1.00 0.75 H new ATOM 0 HA ARG A 43 7.933 5.932 -0.485 1.00 0.81 H new ATOM 0 HB2 ARG A 43 7.904 8.116 1.584 1.00 0.93 H new ATOM 0 HB3 ARG A 43 9.233 7.070 1.124 1.00 0.93 H new ATOM 0 HG2 ARG A 43 7.982 9.242 -0.610 1.00 2.62 H new ATOM 0 HG3 ARG A 43 9.527 9.342 0.212 1.00 2.62 H new ATOM 0 HD2 ARG A 43 10.349 7.397 -1.179 1.00 3.99 H new ATOM 0 HD3 ARG A 43 8.825 7.406 -2.044 1.00 3.99 H new ATOM 0 HE ARG A 43 11.018 9.363 -2.275 1.00 5.28 H new ATOM 0 HH11 ARG A 43 7.688 8.536 -3.231 1.00 6.80 H new ATOM 0 HH12 ARG A 43 7.613 9.824 -4.438 1.00 6.80 H new ATOM 0 HH21 ARG A 43 10.843 11.076 -3.736 1.00 7.68 H new ATOM 0 HH22 ARG A 43 9.389 11.254 -4.723 1.00 7.68 H new ATOM 685 N GLN A 44 5.708 6.289 1.941 1.00 0.65 N ATOM 686 CA GLN A 44 4.972 5.579 2.958 1.00 0.60 C ATOM 687 C GLN A 44 4.293 4.310 2.447 1.00 0.47 C ATOM 688 O GLN A 44 4.164 3.371 3.226 1.00 0.43 O ATOM 689 CB GLN A 44 3.948 6.521 3.591 1.00 0.66 C ATOM 690 CG GLN A 44 4.492 7.099 4.907 1.00 1.21 C ATOM 691 CD GLN A 44 4.570 6.092 6.042 1.00 1.53 C ATOM 692 OE1 GLN A 44 4.826 6.461 7.185 1.00 2.69 O ATOM 693 NE2 GLN A 44 4.301 4.818 5.795 1.00 2.79 N ATOM 0 H GLN A 44 5.375 7.239 1.776 1.00 0.65 H new ATOM 0 HA GLN A 44 5.693 5.248 3.705 1.00 0.60 H new ATOM 0 HB2 GLN A 44 3.714 7.331 2.900 1.00 0.66 H new ATOM 0 HB3 GLN A 44 3.018 5.984 3.779 1.00 0.66 H new ATOM 0 HG2 GLN A 44 5.487 7.507 4.728 1.00 1.21 H new ATOM 0 HG3 GLN A 44 3.858 7.930 5.216 1.00 1.21 H new ATOM 0 HE21 GLN A 44 4.089 4.517 4.844 1.00 2.79 H new ATOM 0 HE22 GLN A 44 4.306 4.139 6.556 1.00 2.79 H new ATOM 702 N ILE A 45 3.839 4.273 1.191 1.00 0.50 N ATOM 703 CA ILE A 45 3.258 3.066 0.610 1.00 0.44 C ATOM 704 C ILE A 45 4.362 2.025 0.464 1.00 0.44 C ATOM 705 O ILE A 45 4.179 0.876 0.860 1.00 0.41 O ATOM 706 CB ILE A 45 2.571 3.372 -0.735 1.00 0.48 C ATOM 707 CG1 ILE A 45 1.339 4.264 -0.535 1.00 0.60 C ATOM 708 CG2 ILE A 45 2.198 2.113 -1.533 1.00 0.52 C ATOM 709 CD1 ILE A 45 0.098 3.539 -0.014 1.00 1.96 C ATOM 0 H ILE A 45 3.864 5.071 0.557 1.00 0.50 H new ATOM 0 HA ILE A 45 2.481 2.673 1.266 1.00 0.44 H new ATOM 0 HB ILE A 45 3.309 3.909 -1.330 1.00 0.48 H new ATOM 0 HG12 ILE A 45 1.595 5.062 0.162 1.00 0.60 H new ATOM 0 HG13 ILE A 45 1.093 4.738 -1.485 1.00 0.60 H new ATOM 0 HG21 ILE A 45 1.719 2.403 -2.468 1.00 0.52 H new ATOM 0 HG22 ILE A 45 3.099 1.540 -1.750 1.00 0.52 H new ATOM 0 HG23 ILE A 45 1.511 1.502 -0.948 1.00 0.52 H new ATOM 0 HD11 ILE A 45 -0.720 4.251 0.095 1.00 1.96 H new ATOM 0 HD12 ILE A 45 -0.191 2.760 -0.719 1.00 1.96 H new ATOM 0 HD13 ILE A 45 0.319 3.089 0.954 1.00 1.96 H new ATOM 721 N LYS A 46 5.512 2.422 -0.097 1.00 0.52 N ATOM 722 CA LYS A 46 6.662 1.519 -0.178 1.00 0.55 C ATOM 723 C LYS A 46 6.955 0.936 1.207 1.00 0.47 C ATOM 724 O LYS A 46 6.988 -0.284 1.371 1.00 0.46 O ATOM 725 CB LYS A 46 7.900 2.217 -0.770 1.00 0.73 C ATOM 726 CG LYS A 46 9.124 1.284 -0.800 1.00 0.97 C ATOM 727 CD LYS A 46 10.326 2.002 -1.429 1.00 1.85 C ATOM 728 CE LYS A 46 11.583 1.117 -1.501 1.00 2.59 C ATOM 729 NZ LYS A 46 12.175 0.828 -0.175 1.00 3.64 N ATOM 0 H LYS A 46 5.668 3.348 -0.495 1.00 0.52 H new ATOM 0 HA LYS A 46 6.414 0.704 -0.858 1.00 0.55 H new ATOM 0 HB2 LYS A 46 7.677 2.556 -1.782 1.00 0.73 H new ATOM 0 HB3 LYS A 46 8.134 3.104 -0.181 1.00 0.73 H new ATOM 0 HG2 LYS A 46 9.371 0.965 0.212 1.00 0.97 H new ATOM 0 HG3 LYS A 46 8.890 0.385 -1.370 1.00 0.97 H new ATOM 0 HD2 LYS A 46 10.061 2.330 -2.434 1.00 1.85 H new ATOM 0 HD3 LYS A 46 10.551 2.898 -0.850 1.00 1.85 H new ATOM 0 HE2 LYS A 46 11.329 0.177 -1.990 1.00 2.59 H new ATOM 0 HE3 LYS A 46 12.329 1.609 -2.125 1.00 2.59 H new ATOM 0 HZ1 LYS A 46 13.166 0.535 -0.294 1.00 3.64 H new ATOM 0 HZ2 LYS A 46 12.135 1.682 0.417 1.00 3.64 H new ATOM 0 HZ3 LYS A 46 11.641 0.063 0.285 1.00 3.64 H new ATOM 743 N ILE A 47 7.169 1.812 2.191 1.00 0.47 N ATOM 744 CA ILE A 47 7.448 1.413 3.564 1.00 0.43 C ATOM 745 C ILE A 47 6.360 0.465 4.072 1.00 0.39 C ATOM 746 O ILE A 47 6.689 -0.622 4.542 1.00 0.39 O ATOM 747 CB ILE A 47 7.694 2.655 4.445 1.00 0.49 C ATOM 748 CG1 ILE A 47 9.193 3.009 4.489 1.00 0.52 C ATOM 749 CG2 ILE A 47 7.219 2.484 5.896 1.00 0.53 C ATOM 750 CD1 ILE A 47 9.835 3.206 3.112 1.00 1.16 C ATOM 0 H ILE A 47 7.153 2.822 2.053 1.00 0.47 H new ATOM 0 HA ILE A 47 8.374 0.840 3.613 1.00 0.43 H new ATOM 0 HB ILE A 47 7.111 3.450 3.980 1.00 0.49 H new ATOM 0 HG12 ILE A 47 9.322 3.922 5.071 1.00 0.52 H new ATOM 0 HG13 ILE A 47 9.726 2.217 5.016 1.00 0.52 H new ATOM 0 HG21 ILE A 47 7.424 3.396 6.456 1.00 0.53 H new ATOM 0 HG22 ILE A 47 6.147 2.285 5.907 1.00 0.53 H new ATOM 0 HG23 ILE A 47 7.748 1.649 6.356 1.00 0.53 H new ATOM 0 HD11 ILE A 47 10.890 3.452 3.234 1.00 1.16 H new ATOM 0 HD12 ILE A 47 9.741 2.288 2.532 1.00 1.16 H new ATOM 0 HD13 ILE A 47 9.331 4.019 2.589 1.00 1.16 H new ATOM 762 N TRP A 48 5.080 0.827 3.936 1.00 0.38 N ATOM 763 CA TRP A 48 4.001 -0.030 4.402 1.00 0.37 C ATOM 764 C TRP A 48 4.090 -1.408 3.756 1.00 0.35 C ATOM 765 O TRP A 48 4.014 -2.410 4.456 1.00 0.39 O ATOM 766 CB TRP A 48 2.614 0.591 4.185 1.00 0.39 C ATOM 767 CG TRP A 48 1.528 -0.211 4.849 1.00 0.35 C ATOM 768 CD1 TRP A 48 0.998 0.064 6.062 1.00 0.34 C ATOM 769 CD2 TRP A 48 0.878 -1.452 4.412 1.00 0.32 C ATOM 770 NE1 TRP A 48 0.147 -0.947 6.443 1.00 0.35 N ATOM 771 CE2 TRP A 48 0.048 -1.918 5.477 1.00 0.34 C ATOM 772 CE3 TRP A 48 0.897 -2.235 3.234 1.00 0.34 C ATOM 773 CZ2 TRP A 48 -0.676 -3.115 5.401 1.00 0.41 C ATOM 774 CZ3 TRP A 48 0.055 -3.357 3.097 1.00 0.32 C ATOM 775 CH2 TRP A 48 -0.745 -3.773 4.172 1.00 0.32 C ATOM 0 H TRP A 48 4.774 1.702 3.510 1.00 0.38 H new ATOM 0 HA TRP A 48 4.127 -0.139 5.479 1.00 0.37 H new ATOM 0 HB2 TRP A 48 2.606 1.608 4.578 1.00 0.39 H new ATOM 0 HB3 TRP A 48 2.411 0.661 3.116 1.00 0.39 H new ATOM 0 HD1 TRP A 48 1.211 0.947 6.646 1.00 0.34 H new ATOM 0 HE1 TRP A 48 -0.350 -0.972 7.334 1.00 0.35 H new ATOM 0 HE3 TRP A 48 1.566 -1.969 2.429 1.00 0.34 H new ATOM 0 HZ2 TRP A 48 -1.169 -3.519 6.273 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 0.026 -3.898 2.163 1.00 0.32 H new ATOM 0 HH2 TRP A 48 -1.419 -4.608 4.048 1.00 0.32 H new ATOM 786 N PHE A 49 4.268 -1.483 2.436 1.00 0.35 N ATOM 787 CA PHE A 49 4.419 -2.766 1.763 1.00 0.42 C ATOM 788 C PHE A 49 5.631 -3.535 2.283 1.00 0.50 C ATOM 789 O PHE A 49 5.569 -4.757 2.410 1.00 0.67 O ATOM 790 CB PHE A 49 4.469 -2.595 0.241 1.00 0.47 C ATOM 791 CG PHE A 49 3.103 -2.750 -0.393 1.00 0.52 C ATOM 792 CD1 PHE A 49 2.610 -4.039 -0.677 1.00 1.02 C ATOM 793 CD2 PHE A 49 2.247 -1.639 -0.494 1.00 0.70 C ATOM 794 CE1 PHE A 49 1.272 -4.212 -1.067 1.00 1.15 C ATOM 795 CE2 PHE A 49 0.902 -1.817 -0.854 1.00 0.83 C ATOM 796 CZ PHE A 49 0.407 -3.108 -1.098 1.00 0.90 C ATOM 0 H PHE A 49 4.310 -0.673 1.818 1.00 0.35 H new ATOM 0 HA PHE A 49 3.537 -3.362 1.996 1.00 0.42 H new ATOM 0 HB2 PHE A 49 4.871 -1.611 -0.000 1.00 0.47 H new ATOM 0 HB3 PHE A 49 5.151 -3.331 -0.184 1.00 0.47 H new ATOM 0 HD1 PHE A 49 3.262 -4.896 -0.595 1.00 1.02 H new ATOM 0 HD2 PHE A 49 2.625 -0.647 -0.294 1.00 0.70 H new ATOM 0 HE1 PHE A 49 0.910 -5.192 -1.342 1.00 1.15 H new ATOM 0 HE2 PHE A 49 0.249 -0.962 -0.943 1.00 0.83 H new ATOM 0 HZ PHE A 49 -0.642 -3.251 -1.310 1.00 0.90 H new ATOM 806 N GLN A 50 6.733 -2.843 2.573 1.00 0.49 N ATOM 807 CA GLN A 50 7.912 -3.448 3.174 1.00 0.60 C ATOM 808 C GLN A 50 7.527 -4.094 4.514 1.00 0.56 C ATOM 809 O GLN A 50 7.676 -5.303 4.697 1.00 0.68 O ATOM 810 CB GLN A 50 8.999 -2.366 3.317 1.00 0.70 C ATOM 811 CG GLN A 50 10.353 -2.793 2.744 1.00 1.20 C ATOM 812 CD GLN A 50 11.302 -1.599 2.694 1.00 2.71 C ATOM 813 OE1 GLN A 50 11.389 -0.903 1.681 1.00 3.96 O ATOM 814 NE2 GLN A 50 12.008 -1.333 3.788 1.00 3.24 N ATOM 0 H GLN A 50 6.829 -1.843 2.395 1.00 0.49 H new ATOM 0 HA GLN A 50 8.316 -4.242 2.546 1.00 0.60 H new ATOM 0 HB2 GLN A 50 8.668 -1.458 2.812 1.00 0.70 H new ATOM 0 HB3 GLN A 50 9.120 -2.118 4.372 1.00 0.70 H new ATOM 0 HG2 GLN A 50 10.783 -3.584 3.358 1.00 1.20 H new ATOM 0 HG3 GLN A 50 10.220 -3.204 1.743 1.00 1.20 H new ATOM 0 HE21 GLN A 50 11.915 -1.927 4.612 1.00 3.24 H new ATOM 0 HE22 GLN A 50 12.643 -0.535 3.804 1.00 3.24 H new ATOM 823 N ASN A 51 6.998 -3.280 5.434 1.00 0.48 N ATOM 824 CA ASN A 51 6.578 -3.701 6.769 1.00 0.54 C ATOM 825 C ASN A 51 5.608 -4.877 6.672 1.00 0.52 C ATOM 826 O ASN A 51 5.753 -5.892 7.353 1.00 0.63 O ATOM 827 CB ASN A 51 5.903 -2.551 7.548 1.00 0.68 C ATOM 828 CG ASN A 51 6.613 -1.198 7.510 1.00 0.84 C ATOM 829 OD1 ASN A 51 5.965 -0.158 7.553 1.00 2.05 O ATOM 830 ND2 ASN A 51 7.940 -1.184 7.434 1.00 0.83 N ATOM 0 H ASN A 51 6.848 -2.286 5.263 1.00 0.48 H new ATOM 0 HA ASN A 51 7.476 -4.002 7.309 1.00 0.54 H new ATOM 0 HB2 ASN A 51 4.894 -2.419 7.157 1.00 0.68 H new ATOM 0 HB3 ASN A 51 5.804 -2.856 8.590 1.00 0.68 H new ATOM 0 HD21 ASN A 51 8.440 -0.295 7.410 1.00 0.83 H new ATOM 0 HD22 ASN A 51 8.458 -2.062 7.399 1.00 0.83 H new ATOM 837 N ARG A 52 4.602 -4.721 5.813 1.00 0.48 N ATOM 838 CA ARG A 52 3.566 -5.703 5.609 1.00 0.53 C ATOM 839 C ARG A 52 4.180 -7.004 5.139 1.00 0.68 C ATOM 840 O ARG A 52 3.926 -8.035 5.747 1.00 1.36 O ATOM 841 CB ARG A 52 2.513 -5.209 4.613 1.00 0.55 C ATOM 842 CG ARG A 52 1.396 -6.251 4.455 1.00 0.64 C ATOM 843 CD ARG A 52 0.580 -6.400 5.744 1.00 0.65 C ATOM 844 NE ARG A 52 0.360 -7.803 6.108 1.00 1.19 N ATOM 845 CZ ARG A 52 -0.756 -8.473 5.786 1.00 1.56 C ATOM 846 NH1 ARG A 52 -1.433 -8.113 4.705 1.00 2.73 N ATOM 847 NH2 ARG A 52 -1.267 -9.443 6.546 1.00 2.37 N ATOM 0 H ARG A 52 4.492 -3.889 5.234 1.00 0.48 H new ATOM 0 HA ARG A 52 3.060 -5.870 6.560 1.00 0.53 H new ATOM 0 HB2 ARG A 52 2.092 -4.264 4.958 1.00 0.55 H new ATOM 0 HB3 ARG A 52 2.979 -5.017 3.647 1.00 0.55 H new ATOM 0 HG2 ARG A 52 0.737 -5.958 3.638 1.00 0.64 H new ATOM 0 HG3 ARG A 52 1.830 -7.213 4.185 1.00 0.64 H new ATOM 0 HD2 ARG A 52 1.097 -5.893 6.559 1.00 0.65 H new ATOM 0 HD3 ARG A 52 -0.383 -5.904 5.620 1.00 0.65 H new ATOM 0 HE ARG A 52 1.088 -8.291 6.629 1.00 1.19 H new ATOM 0 HH11 ARG A 52 -1.103 -7.337 4.132 1.00 2.73 H new ATOM 0 HH12 ARG A 52 -2.284 -8.612 4.446 1.00 2.73 H new ATOM 0 HH21 ARG A 52 -0.805 -9.705 7.417 1.00 2.37 H new ATOM 0 HH22 ARG A 52 -2.119 -9.923 6.256 1.00 2.37 H new ATOM 861 N ARG A 53 4.944 -6.980 4.047 1.00 0.82 N ATOM 862 CA ARG A 53 5.434 -8.214 3.462 1.00 0.96 C ATOM 863 C ARG A 53 6.413 -8.905 4.418 1.00 1.10 C ATOM 864 O ARG A 53 6.463 -10.132 4.462 1.00 1.29 O ATOM 865 CB ARG A 53 6.016 -7.965 2.064 1.00 1.27 C ATOM 866 CG ARG A 53 5.847 -9.207 1.179 1.00 1.08 C ATOM 867 CD ARG A 53 6.322 -9.002 -0.265 1.00 1.77 C ATOM 868 NE ARG A 53 5.552 -7.963 -0.982 1.00 1.99 N ATOM 869 CZ ARG A 53 5.941 -6.693 -1.187 1.00 2.15 C ATOM 870 NH1 ARG A 53 7.036 -6.220 -0.583 1.00 3.12 N ATOM 871 NH2 ARG A 53 5.231 -5.894 -1.990 1.00 3.18 N ATOM 0 H ARG A 53 5.230 -6.130 3.560 1.00 0.82 H new ATOM 0 HA ARG A 53 4.601 -8.902 3.320 1.00 0.96 H new ATOM 0 HB2 ARG A 53 5.517 -7.113 1.603 1.00 1.27 H new ATOM 0 HB3 ARG A 53 7.073 -7.710 2.144 1.00 1.27 H new ATOM 0 HG2 ARG A 53 6.401 -10.035 1.621 1.00 1.08 H new ATOM 0 HG3 ARG A 53 4.796 -9.496 1.169 1.00 1.08 H new ATOM 0 HD2 ARG A 53 7.377 -8.727 -0.260 1.00 1.77 H new ATOM 0 HD3 ARG A 53 6.242 -9.945 -0.806 1.00 1.77 H new ATOM 0 HE ARG A 53 4.642 -8.235 -1.355 1.00 1.99 H new ATOM 0 HH11 ARG A 53 7.578 -6.823 0.035 1.00 3.12 H new ATOM 0 HH12 ARG A 53 7.329 -5.256 -0.740 1.00 3.12 H new ATOM 0 HH21 ARG A 53 4.392 -6.248 -2.449 1.00 3.18 H new ATOM 0 HH22 ARG A 53 5.529 -4.931 -2.144 1.00 3.18 H new ATOM 885 N MET A 54 7.155 -8.133 5.220 1.00 1.06 N ATOM 886 CA MET A 54 7.915 -8.702 6.319 1.00 1.11 C ATOM 887 C MET A 54 6.977 -9.449 7.261 1.00 1.17 C ATOM 888 O MET A 54 7.059 -10.671 7.394 1.00 1.56 O ATOM 889 CB MET A 54 8.671 -7.589 7.055 1.00 1.00 C ATOM 890 CG MET A 54 9.681 -8.123 8.078 1.00 0.93 C ATOM 891 SD MET A 54 10.936 -9.288 7.483 1.00 2.66 S ATOM 892 CE MET A 54 11.769 -8.294 6.226 1.00 3.30 C ATOM 0 H MET A 54 7.240 -7.121 5.123 1.00 1.06 H new ATOM 0 HA MET A 54 8.646 -9.413 5.933 1.00 1.11 H new ATOM 0 HB2 MET A 54 9.194 -6.970 6.326 1.00 1.00 H new ATOM 0 HB3 MET A 54 7.953 -6.945 7.564 1.00 1.00 H new ATOM 0 HG2 MET A 54 10.196 -7.270 8.519 1.00 0.93 H new ATOM 0 HG3 MET A 54 9.124 -8.609 8.879 1.00 0.93 H new ATOM 0 HE1 MET A 54 12.602 -8.860 5.808 1.00 3.30 H new ATOM 0 HE2 MET A 54 11.064 -8.046 5.432 1.00 3.30 H new ATOM 0 HE3 MET A 54 12.145 -7.376 6.678 1.00 3.30 H new ATOM 902 N LYS A 55 6.095 -8.709 7.938 1.00 0.91 N ATOM 903 CA LYS A 55 5.344 -9.321 9.028 1.00 1.01 C ATOM 904 C LYS A 55 4.382 -10.402 8.522 1.00 1.00 C ATOM 905 O LYS A 55 4.163 -11.397 9.205 1.00 1.33 O ATOM 906 CB LYS A 55 4.710 -8.267 9.946 1.00 1.03 C ATOM 907 CG LYS A 55 3.413 -7.618 9.448 1.00 2.16 C ATOM 908 CD LYS A 55 2.179 -8.514 9.666 1.00 2.87 C ATOM 909 CE LYS A 55 0.897 -7.703 9.921 1.00 3.77 C ATOM 910 NZ LYS A 55 -0.276 -8.591 10.076 1.00 4.73 N ATOM 0 H LYS A 55 5.891 -7.726 7.759 1.00 0.91 H new ATOM 0 HA LYS A 55 6.045 -9.856 9.668 1.00 1.01 H new ATOM 0 HB2 LYS A 55 4.510 -8.731 10.912 1.00 1.03 H new ATOM 0 HB3 LYS A 55 5.443 -7.478 10.117 1.00 1.03 H new ATOM 0 HG2 LYS A 55 3.264 -6.670 9.964 1.00 2.16 H new ATOM 0 HG3 LYS A 55 3.509 -7.391 8.386 1.00 2.16 H new ATOM 0 HD2 LYS A 55 2.036 -9.148 8.791 1.00 2.87 H new ATOM 0 HD3 LYS A 55 2.360 -9.176 10.513 1.00 2.87 H new ATOM 0 HE2 LYS A 55 1.019 -7.098 10.819 1.00 3.77 H new ATOM 0 HE3 LYS A 55 0.728 -7.015 9.093 1.00 3.77 H new ATOM 0 HZ1 LYS A 55 -1.117 -8.020 10.297 1.00 4.73 H new ATOM 0 HZ2 LYS A 55 -0.435 -9.113 9.191 1.00 4.73 H new ATOM 0 HZ3 LYS A 55 -0.102 -9.265 10.849 1.00 4.73 H new ATOM 924 N TRP A 56 3.937 -10.285 7.268 1.00 0.81 N ATOM 925 CA TRP A 56 3.161 -11.276 6.534 1.00 0.91 C ATOM 926 C TRP A 56 3.832 -12.636 6.650 1.00 1.10 C ATOM 927 O TRP A 56 3.199 -13.626 7.013 1.00 1.34 O ATOM 928 CB TRP A 56 3.068 -10.864 5.063 1.00 0.82 C ATOM 929 CG TRP A 56 2.618 -11.924 4.109 1.00 0.92 C ATOM 930 CD1 TRP A 56 1.390 -12.474 4.093 1.00 1.01 C ATOM 931 CD2 TRP A 56 3.366 -12.593 3.051 1.00 1.05 C ATOM 932 NE1 TRP A 56 1.299 -13.389 3.062 1.00 1.16 N ATOM 933 CE2 TRP A 56 2.499 -13.513 2.393 1.00 1.19 C ATOM 934 CE3 TRP A 56 4.691 -12.511 2.577 1.00 1.18 C ATOM 935 CZ2 TRP A 56 2.921 -14.300 1.311 1.00 1.41 C ATOM 936 CZ3 TRP A 56 5.133 -13.309 1.506 1.00 1.42 C ATOM 937 CH2 TRP A 56 4.249 -14.194 0.864 1.00 1.52 C ATOM 0 H TRP A 56 4.121 -9.450 6.712 1.00 0.81 H new ATOM 0 HA TRP A 56 2.157 -11.337 6.953 1.00 0.91 H new ATOM 0 HB2 TRP A 56 2.383 -10.020 4.986 1.00 0.82 H new ATOM 0 HB3 TRP A 56 4.048 -10.509 4.744 1.00 0.82 H new ATOM 0 HD1 TRP A 56 0.594 -12.236 4.783 1.00 1.01 H new ATOM 0 HE1 TRP A 56 0.453 -13.907 2.826 1.00 1.16 H new ATOM 0 HE3 TRP A 56 5.380 -11.823 3.045 1.00 1.18 H new ATOM 0 HZ2 TRP A 56 2.234 -14.979 0.828 1.00 1.41 H new ATOM 0 HZ3 TRP A 56 6.159 -13.241 1.175 1.00 1.42 H new ATOM 0 HH2 TRP A 56 4.589 -14.790 0.030 1.00 1.52 H new ATOM 948 N LYS A 57 5.122 -12.665 6.324 1.00 1.11 N ATOM 949 CA LYS A 57 5.926 -13.873 6.316 1.00 1.35 C ATOM 950 C LYS A 57 6.391 -14.282 7.721 1.00 1.51 C ATOM 951 O LYS A 57 7.075 -15.299 7.870 1.00 1.82 O ATOM 952 CB LYS A 57 7.089 -13.691 5.324 1.00 1.46 C ATOM 953 CG LYS A 57 7.672 -14.996 4.754 1.00 1.86 C ATOM 954 CD LYS A 57 6.590 -15.883 4.113 1.00 2.69 C ATOM 955 CE LYS A 57 7.156 -16.910 3.122 1.00 3.57 C ATOM 956 NZ LYS A 57 7.526 -16.301 1.826 1.00 4.41 N ATOM 0 H LYS A 57 5.643 -11.831 6.054 1.00 1.11 H new ATOM 0 HA LYS A 57 5.311 -14.708 5.979 1.00 1.35 H new ATOM 0 HB2 LYS A 57 6.745 -13.072 4.495 1.00 1.46 H new ATOM 0 HB3 LYS A 57 7.888 -13.142 5.822 1.00 1.46 H new ATOM 0 HG2 LYS A 57 8.432 -14.758 4.010 1.00 1.86 H new ATOM 0 HG3 LYS A 57 8.168 -15.549 5.551 1.00 1.86 H new ATOM 0 HD2 LYS A 57 6.047 -16.408 4.899 1.00 2.69 H new ATOM 0 HD3 LYS A 57 5.869 -15.249 3.597 1.00 2.69 H new ATOM 0 HE2 LYS A 57 8.033 -17.387 3.559 1.00 3.57 H new ATOM 0 HE3 LYS A 57 6.417 -17.694 2.954 1.00 3.57 H new ATOM 0 HZ1 LYS A 57 7.902 -17.035 1.192 1.00 4.41 H new ATOM 0 HZ2 LYS A 57 6.685 -15.868 1.393 1.00 4.41 H new ATOM 0 HZ3 LYS A 57 8.251 -15.571 1.980 1.00 4.41 H new ATOM 970 N LYS A 58 6.081 -13.494 8.759 1.00 1.41 N ATOM 971 CA LYS A 58 6.284 -13.864 10.156 1.00 1.60 C ATOM 972 C LYS A 58 4.971 -14.172 10.885 1.00 1.72 C ATOM 973 O LYS A 58 5.000 -14.764 11.968 1.00 1.93 O ATOM 974 CB LYS A 58 7.011 -12.712 10.864 1.00 1.59 C ATOM 975 CG LYS A 58 8.537 -12.748 10.742 1.00 2.12 C ATOM 976 CD LYS A 58 9.124 -12.593 9.328 1.00 3.68 C ATOM 977 CE LYS A 58 10.110 -13.711 8.955 1.00 5.20 C ATOM 978 NZ LYS A 58 9.516 -15.063 9.042 1.00 5.97 N ATOM 0 H LYS A 58 5.675 -12.565 8.644 1.00 1.41 H new ATOM 0 HA LYS A 58 6.878 -14.778 10.179 1.00 1.60 H new ATOM 0 HB2 LYS A 58 6.650 -11.768 10.457 1.00 1.59 H new ATOM 0 HB3 LYS A 58 6.744 -12.727 11.921 1.00 1.59 H new ATOM 0 HG2 LYS A 58 8.947 -11.956 11.369 1.00 2.12 H new ATOM 0 HG3 LYS A 58 8.888 -13.694 11.154 1.00 2.12 H new ATOM 0 HD2 LYS A 58 8.310 -12.579 8.603 1.00 3.68 H new ATOM 0 HD3 LYS A 58 9.632 -11.631 9.256 1.00 3.68 H new ATOM 0 HE2 LYS A 58 10.472 -13.544 7.940 1.00 5.20 H new ATOM 0 HE3 LYS A 58 10.976 -13.658 9.615 1.00 5.20 H new ATOM 0 HZ1 LYS A 58 10.030 -15.709 8.410 1.00 5.97 H new ATOM 0 HZ2 LYS A 58 9.583 -15.409 10.020 1.00 5.97 H new ATOM 0 HZ3 LYS A 58 8.517 -15.022 8.757 1.00 5.97 H new ATOM 992 N GLU A 59 3.829 -13.944 10.242 1.00 1.64 N ATOM 993 CA GLU A 59 2.547 -14.481 10.672 1.00 1.80 C ATOM 994 C GLU A 59 2.326 -15.793 9.916 1.00 1.98 C ATOM 995 O GLU A 59 2.348 -16.855 10.548 1.00 2.67 O ATOM 996 CB GLU A 59 1.424 -13.423 10.669 1.00 1.71 C ATOM 997 CG GLU A 59 1.056 -12.742 9.341 1.00 3.01 C ATOM 998 CD GLU A 59 0.330 -11.410 9.529 1.00 3.53 C ATOM 999 OE1 GLU A 59 0.120 -11.002 10.692 1.00 3.74 O ATOM 1000 OE2 GLU A 59 0.032 -10.713 8.523 1.00 4.50 O ATOM 0 H GLU A 59 3.770 -13.374 9.398 1.00 1.64 H new ATOM 0 HA GLU A 59 2.535 -14.745 11.730 1.00 1.80 H new ATOM 0 HB2 GLU A 59 0.523 -13.896 11.059 1.00 1.71 H new ATOM 0 HB3 GLU A 59 1.704 -12.641 11.375 1.00 1.71 H new ATOM 0 HG2 GLU A 59 1.964 -12.575 8.762 1.00 3.01 H new ATOM 0 HG3 GLU A 59 0.425 -13.413 8.758 1.00 3.01 H new ATOM 1007 N ASN A 60 2.276 -15.733 8.579 1.00 1.72 N ATOM 1008 CA ASN A 60 2.231 -16.855 7.659 1.00 2.01 C ATOM 1009 C ASN A 60 3.626 -17.471 7.524 1.00 2.86 C ATOM 1010 O ASN A 60 4.240 -17.452 6.456 1.00 3.46 O ATOM 1011 CB ASN A 60 1.757 -16.357 6.288 1.00 1.75 C ATOM 1012 CG ASN A 60 0.421 -15.630 6.314 1.00 1.75 C ATOM 1013 OD1 ASN A 60 -0.635 -16.239 6.197 1.00 2.31 O ATOM 1014 ND2 ASN A 60 0.466 -14.310 6.449 1.00 1.88 N ATOM 0 H ASN A 60 2.266 -14.838 8.089 1.00 1.72 H new ATOM 0 HA ASN A 60 1.543 -17.611 8.038 1.00 2.01 H new ATOM 0 HB2 ASN A 60 2.513 -15.689 5.876 1.00 1.75 H new ATOM 0 HB3 ASN A 60 1.681 -17.208 5.612 1.00 1.75 H new ATOM 0 HD21 ASN A 60 -0.398 -13.768 6.458 1.00 1.88 H new ATOM 0 HD22 ASN A 60 1.365 -13.837 6.544 1.00 1.88 H new ATOM 1021 N LYS A 61 4.149 -18.001 8.625 1.00 3.36 N ATOM 1022 CA LYS A 61 5.475 -18.605 8.650 1.00 4.47 C ATOM 1023 C LYS A 61 5.387 -20.023 8.092 1.00 5.28 C ATOM 1024 O LYS A 61 4.965 -20.942 8.785 1.00 5.59 O ATOM 1025 CB LYS A 61 6.102 -18.572 10.056 1.00 4.90 C ATOM 1026 CG LYS A 61 5.105 -18.191 11.149 1.00 4.50 C ATOM 1027 CD LYS A 61 5.714 -18.141 12.552 1.00 5.08 C ATOM 1028 CE LYS A 61 4.612 -17.876 13.591 1.00 5.58 C ATOM 1029 NZ LYS A 61 3.704 -16.779 13.185 1.00 6.01 N ATOM 0 H LYS A 61 3.666 -18.024 9.523 1.00 3.36 H new ATOM 0 HA LYS A 61 6.142 -18.018 8.019 1.00 4.47 H new ATOM 0 HB2 LYS A 61 6.523 -19.552 10.282 1.00 4.90 H new ATOM 0 HB3 LYS A 61 6.928 -17.861 10.062 1.00 4.90 H new ATOM 0 HG2 LYS A 61 4.678 -17.216 10.914 1.00 4.50 H new ATOM 0 HG3 LYS A 61 4.284 -18.908 11.145 1.00 4.50 H new ATOM 0 HD2 LYS A 61 6.216 -19.083 12.774 1.00 5.08 H new ATOM 0 HD3 LYS A 61 6.470 -17.357 12.602 1.00 5.08 H new ATOM 0 HE2 LYS A 61 4.032 -18.787 13.742 1.00 5.58 H new ATOM 0 HE3 LYS A 61 5.071 -17.628 14.548 1.00 5.58 H new ATOM 0 HZ1 LYS A 61 3.111 -16.502 13.993 1.00 6.01 H new ATOM 0 HZ2 LYS A 61 4.265 -15.962 12.871 1.00 6.01 H new ATOM 0 HZ3 LYS A 61 3.097 -17.102 12.405 1.00 6.01 H new ATOM 1043 N THR A 62 5.838 -20.193 6.849 1.00 6.21 N ATOM 1044 CA THR A 62 5.872 -21.495 6.189 1.00 7.25 C ATOM 1045 C THR A 62 6.935 -22.370 6.859 1.00 7.63 C ATOM 1046 O THR A 62 6.676 -23.507 7.240 1.00 7.59 O ATOM 1047 CB THR A 62 6.062 -21.312 4.671 1.00 8.88 C ATOM 1048 OG1 THR A 62 5.835 -22.519 3.978 1.00 9.76 O ATOM 1049 CG2 THR A 62 7.419 -20.739 4.244 1.00 10.71 C ATOM 0 H THR A 62 6.190 -19.429 6.272 1.00 6.21 H new ATOM 0 HA THR A 62 4.923 -22.019 6.303 1.00 7.25 H new ATOM 0 HB THR A 62 5.315 -20.565 4.403 1.00 8.88 H new ATOM 0 HG1 THR A 62 5.961 -22.373 3.017 1.00 9.76 H new ATOM 0 HG21 THR A 62 7.451 -20.650 3.158 1.00 10.71 H new ATOM 0 HG22 THR A 62 7.556 -19.755 4.693 1.00 10.71 H new ATOM 0 HG23 THR A 62 8.216 -21.404 4.577 1.00 10.71 H new ATOM 1057 N LYS A 63 8.131 -21.803 7.032 1.00 8.51 N ATOM 1058 CA LYS A 63 9.184 -22.357 7.874 1.00 9.54 C ATOM 1059 C LYS A 63 9.947 -21.212 8.548 1.00 9.67 C ATOM 1060 O LYS A 63 11.114 -21.333 8.914 1.00 11.00 O ATOM 1061 CB LYS A 63 10.076 -23.300 7.053 1.00 11.03 C ATOM 1062 CG LYS A 63 10.372 -24.624 7.782 1.00 11.91 C ATOM 1063 CD LYS A 63 11.366 -24.450 8.941 1.00 13.57 C ATOM 1064 CE LYS A 63 11.568 -25.731 9.764 1.00 14.51 C ATOM 1065 NZ LYS A 63 10.434 -25.983 10.677 1.00 13.91 N ATOM 0 H LYS A 63 8.396 -20.928 6.580 1.00 8.51 H new ATOM 0 HA LYS A 63 8.761 -22.967 8.672 1.00 9.54 H new ATOM 0 HB2 LYS A 63 9.591 -23.515 6.101 1.00 11.03 H new ATOM 0 HB3 LYS A 63 11.016 -22.797 6.825 1.00 11.03 H new ATOM 0 HG2 LYS A 63 9.440 -25.039 8.166 1.00 11.91 H new ATOM 0 HG3 LYS A 63 10.773 -25.345 7.070 1.00 11.91 H new ATOM 0 HD2 LYS A 63 12.327 -24.128 8.541 1.00 13.57 H new ATOM 0 HD3 LYS A 63 11.012 -23.656 9.598 1.00 13.57 H new ATOM 0 HE2 LYS A 63 11.688 -26.580 9.091 1.00 14.51 H new ATOM 0 HE3 LYS A 63 12.489 -25.650 10.342 1.00 14.51 H new ATOM 0 HZ1 LYS A 63 10.686 -26.742 11.342 1.00 13.91 H new ATOM 0 HZ2 LYS A 63 10.216 -25.116 11.208 1.00 13.91 H new ATOM 0 HZ3 LYS A 63 9.601 -26.269 10.125 1.00 13.91 H new ATOM 1079 N GLY A 64 9.252 -20.093 8.763 1.00 8.52 N ATOM 1080 CA GLY A 64 9.725 -19.015 9.616 1.00 8.88 C ATOM 1081 C GLY A 64 9.583 -19.448 11.072 1.00 9.24 C ATOM 1082 O GLY A 64 8.699 -18.962 11.773 1.00 9.18 O ATOM 0 H GLY A 64 8.339 -19.914 8.344 1.00 8.52 H new ATOM 0 HA2 GLY A 64 10.766 -18.783 9.390 1.00 8.88 H new ATOM 0 HA3 GLY A 64 9.149 -18.108 9.433 1.00 8.88 H new ATOM 1086 N GLU A 65 10.420 -20.408 11.470 1.00 10.13 N ATOM 1087 CA GLU A 65 10.505 -21.004 12.797 1.00 11.19 C ATOM 1088 C GLU A 65 9.172 -21.443 13.449 1.00 10.91 C ATOM 1089 O GLU A 65 9.025 -21.302 14.663 1.00 11.56 O ATOM 1090 CB GLU A 65 11.397 -20.126 13.703 1.00 12.61 C ATOM 1091 CG GLU A 65 10.947 -18.659 13.817 1.00 12.69 C ATOM 1092 CD GLU A 65 11.866 -17.818 14.692 1.00 13.88 C ATOM 1093 OE1 GLU A 65 12.450 -18.392 15.636 1.00 14.37 O ATOM 1094 OE2 GLU A 65 11.967 -16.610 14.386 1.00 14.47 O ATOM 0 H GLU A 65 11.100 -20.814 10.828 1.00 10.13 H new ATOM 0 HA GLU A 65 10.984 -21.974 12.661 1.00 11.19 H new ATOM 0 HB2 GLU A 65 11.421 -20.564 14.701 1.00 12.61 H new ATOM 0 HB3 GLU A 65 12.417 -20.151 13.320 1.00 12.61 H new ATOM 0 HG2 GLU A 65 10.903 -18.220 12.820 1.00 12.69 H new ATOM 0 HG3 GLU A 65 9.937 -18.626 14.225 1.00 12.69 H new ATOM 1101 N PRO A 66 8.221 -22.085 12.737 1.00 10.53 N ATOM 1102 CA PRO A 66 7.141 -22.826 13.378 1.00 11.14 C ATOM 1103 C PRO A 66 7.715 -24.171 13.851 1.00 12.43 C ATOM 1104 O PRO A 66 7.268 -25.230 13.412 1.00 12.82 O ATOM 1105 CB PRO A 66 6.107 -23.010 12.263 1.00 10.86 C ATOM 1106 CG PRO A 66 6.992 -23.251 11.039 1.00 10.54 C ATOM 1107 CD PRO A 66 8.185 -22.329 11.304 1.00 10.16 C ATOM 0 HA PRO A 66 6.698 -22.335 14.245 1.00 11.14 H new ATOM 0 HB2 PRO A 66 5.443 -23.852 12.458 1.00 10.86 H new ATOM 0 HB3 PRO A 66 5.477 -22.129 12.143 1.00 10.86 H new ATOM 0 HG2 PRO A 66 7.296 -24.295 10.958 1.00 10.54 H new ATOM 0 HG3 PRO A 66 6.480 -22.995 10.111 1.00 10.54 H new ATOM 0 HD2 PRO A 66 9.113 -22.792 10.968 1.00 10.16 H new ATOM 0 HD3 PRO A 66 8.079 -21.393 10.756 1.00 10.16 H new ATOM 1115 N GLY A 67 8.738 -24.125 14.706 1.00 13.43 N ATOM 1116 CA GLY A 67 9.643 -25.252 14.865 1.00 14.90 C ATOM 1117 C GLY A 67 10.436 -25.430 13.564 1.00 14.84 C ATOM 1118 O GLY A 67 10.493 -24.482 12.773 1.00 14.30 O ATOM 0 H GLY A 67 8.956 -23.321 15.294 1.00 13.43 H new ATOM 0 HA2 GLY A 67 10.321 -25.078 15.701 1.00 14.90 H new ATOM 0 HA3 GLY A 67 9.082 -26.158 15.093 1.00 14.90 H new TER 1122 GLY A 67