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 50 GLN : amide:sc= 1.03 K(o=1.7,f=-0.24) USER MOD Set 1.2: A 51 ASN : amide:sc= 0.647 K(o=1.7,f=-1) USER MOD Set 2.1: A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 8 TYR OH : rot 45:sc= 1.13 USER MOD Set 2.3: A 44 GLN : amide:sc= 0.499 K(o=1.6,f=-3.7!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00714 USER MOD Single : A 11 TYR OH : rot -173:sc= 1.16 USER MOD Single : A 12 GLN : amide:sc= 0.629 K(o=0.63,f=-4.4!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 173:sc= 0.578 (180deg=0.366) USER MOD Single : A 21 HIS : no HE2:sc= 0.258 K(o=0.26,f=-5.7!) USER MOD Single : A 23 ASN : amide:sc= -0.284! X(o=-0.28!,f=-0.48) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.081) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -37:sc= 0.405 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -179:sc= 0 (180deg=-0.00115) USER MOD Single : A 55 LYS NZ :NH3+ -147:sc= -0.0716 (180deg=-0.738) USER MOD Single : A 57 LYS NZ :NH3+ -144:sc=-0.00975 (180deg=-2.36) USER MOD Single : A 58 LYS NZ :NH3+ -161:sc= 2.4 (180deg=2.31) USER MOD Single : A 60 ASN : amide:sc= -0.0967 K(o=-0.097,f=-0.99) USER MOD Single : A 61 LYS NZ :NH3+ -163:sc= 2.04 (180deg=1.1) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= -0.513 (180deg=-1.23!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 3.679 10.273 11.320 1.00 4.26 N ATOM 2 CA MET A 6 3.881 9.599 10.023 1.00 3.82 C ATOM 3 C MET A 6 2.989 8.354 9.961 1.00 3.20 C ATOM 4 O MET A 6 3.462 7.223 9.903 1.00 4.16 O ATOM 5 CB MET A 6 5.381 9.323 9.821 1.00 4.73 C ATOM 6 CG MET A 6 5.737 8.701 8.464 1.00 5.99 C ATOM 7 SD MET A 6 7.490 8.839 8.029 1.00 7.73 S ATOM 8 CE MET A 6 7.546 7.887 6.495 1.00 9.34 C ATOM 0 HA MET A 6 3.578 10.231 9.188 1.00 3.82 H new ATOM 0 HB2 MET A 6 5.928 10.259 9.932 1.00 4.73 H new ATOM 0 HB3 MET A 6 5.725 8.657 10.613 1.00 4.73 H new ATOM 0 HG2 MET A 6 5.457 7.648 8.474 1.00 5.99 H new ATOM 0 HG3 MET A 6 5.141 9.182 7.688 1.00 5.99 H new ATOM 0 HE1 MET A 6 8.565 7.882 6.107 1.00 9.34 H new ATOM 0 HE2 MET A 6 7.227 6.863 6.690 1.00 9.34 H new ATOM 0 HE3 MET A 6 6.880 8.341 5.761 1.00 9.34 H new ATOM 18 N THR A 7 1.678 8.578 10.033 1.00 2.16 N ATOM 19 CA THR A 7 0.660 7.571 10.271 1.00 1.54 C ATOM 20 C THR A 7 -0.044 7.168 8.968 1.00 1.43 C ATOM 21 O THR A 7 0.276 7.675 7.890 1.00 2.14 O ATOM 22 CB THR A 7 -0.317 8.199 11.286 1.00 2.12 C ATOM 23 OG1 THR A 7 -0.364 9.603 11.077 1.00 3.77 O ATOM 24 CG2 THR A 7 0.174 7.955 12.716 1.00 2.35 C ATOM 0 H THR A 7 1.284 9.512 9.921 1.00 2.16 H new ATOM 0 HA THR A 7 1.090 6.649 10.661 1.00 1.54 H new ATOM 0 HB THR A 7 -1.300 7.748 11.149 1.00 2.12 H new ATOM 0 HG1 THR A 7 -0.985 10.009 11.718 1.00 3.77 H new ATOM 0 HG21 THR A 7 -0.525 8.403 13.422 1.00 2.35 H new ATOM 0 HG22 THR A 7 0.238 6.883 12.901 1.00 2.35 H new ATOM 0 HG23 THR A 7 1.158 8.405 12.844 1.00 2.35 H new ATOM 32 N TYR A 8 -1.010 6.254 9.099 1.00 0.86 N ATOM 33 CA TYR A 8 -1.995 5.873 8.099 1.00 0.69 C ATOM 34 C TYR A 8 -3.323 5.879 8.857 1.00 0.63 C ATOM 35 O TYR A 8 -3.309 5.525 10.037 1.00 0.85 O ATOM 36 CB TYR A 8 -1.707 4.452 7.579 1.00 0.63 C ATOM 37 CG TYR A 8 -0.239 4.082 7.474 1.00 0.69 C ATOM 38 CD1 TYR A 8 0.495 4.410 6.322 1.00 1.29 C ATOM 39 CD2 TYR A 8 0.414 3.479 8.566 1.00 1.09 C ATOM 40 CE1 TYR A 8 1.874 4.158 6.267 1.00 1.49 C ATOM 41 CE2 TYR A 8 1.805 3.281 8.531 1.00 1.38 C ATOM 42 CZ TYR A 8 2.539 3.663 7.397 1.00 1.31 C ATOM 43 OH TYR A 8 3.900 3.639 7.435 1.00 1.73 O ATOM 0 H TYR A 8 -1.127 5.730 9.966 1.00 0.86 H new ATOM 0 HA TYR A 8 -1.991 6.541 7.238 1.00 0.69 H new ATOM 0 HB2 TYR A 8 -2.198 3.736 8.238 1.00 0.63 H new ATOM 0 HB3 TYR A 8 -2.163 4.344 6.595 1.00 0.63 H new ATOM 0 HD1 TYR A 8 -0.004 4.858 5.475 1.00 1.29 H new ATOM 0 HD2 TYR A 8 -0.154 3.169 9.431 1.00 1.09 H new ATOM 0 HE1 TYR A 8 2.422 4.345 5.355 1.00 1.49 H new ATOM 0 HE2 TYR A 8 2.309 2.835 9.376 1.00 1.38 H new ATOM 0 HH TYR A 8 4.251 4.494 7.111 1.00 1.73 H new ATOM 53 N THR A 9 -4.441 6.271 8.239 1.00 0.63 N ATOM 54 CA THR A 9 -5.742 6.101 8.892 1.00 0.65 C ATOM 55 C THR A 9 -6.299 4.692 8.642 1.00 0.55 C ATOM 56 O THR A 9 -5.741 3.910 7.874 1.00 0.53 O ATOM 57 CB THR A 9 -6.721 7.238 8.547 1.00 0.86 C ATOM 58 OG1 THR A 9 -7.913 7.077 9.295 1.00 2.24 O ATOM 59 CG2 THR A 9 -7.078 7.317 7.064 1.00 1.17 C ATOM 0 H THR A 9 -4.474 6.697 7.313 1.00 0.63 H new ATOM 0 HA THR A 9 -5.598 6.183 9.969 1.00 0.65 H new ATOM 0 HB THR A 9 -6.211 8.167 8.801 1.00 0.86 H new ATOM 0 HG1 THR A 9 -8.536 7.801 9.077 1.00 2.24 H new ATOM 0 HG21 THR A 9 -7.771 8.142 6.900 1.00 1.17 H new ATOM 0 HG22 THR A 9 -6.173 7.482 6.480 1.00 1.17 H new ATOM 0 HG23 THR A 9 -7.545 6.383 6.752 1.00 1.17 H new ATOM 67 N ARG A 10 -7.420 4.372 9.293 1.00 0.58 N ATOM 68 CA ARG A 10 -8.045 3.055 9.262 1.00 0.59 C ATOM 69 C ARG A 10 -8.330 2.635 7.826 1.00 0.49 C ATOM 70 O ARG A 10 -7.922 1.560 7.396 1.00 0.46 O ATOM 71 CB ARG A 10 -9.341 3.089 10.078 1.00 0.73 C ATOM 72 CG ARG A 10 -9.884 1.668 10.269 1.00 0.84 C ATOM 73 CD ARG A 10 -11.048 1.661 11.261 1.00 2.03 C ATOM 74 NE ARG A 10 -11.485 0.283 11.532 1.00 2.36 N ATOM 75 CZ ARG A 10 -12.467 -0.381 10.896 1.00 2.83 C ATOM 76 NH1 ARG A 10 -13.095 0.181 9.857 1.00 3.64 N ATOM 77 NH2 ARG A 10 -12.812 -1.609 11.300 1.00 3.74 N ATOM 0 H ARG A 10 -7.928 5.042 9.870 1.00 0.58 H new ATOM 0 HA ARG A 10 -7.365 2.324 9.700 1.00 0.59 H new ATOM 0 HB2 ARG A 10 -9.156 3.549 11.049 1.00 0.73 H new ATOM 0 HB3 ARG A 10 -10.083 3.705 9.570 1.00 0.73 H new ATOM 0 HG2 ARG A 10 -10.215 1.268 9.310 1.00 0.84 H new ATOM 0 HG3 ARG A 10 -9.089 1.015 10.629 1.00 0.84 H new ATOM 0 HD2 ARG A 10 -10.744 2.142 12.191 1.00 2.03 H new ATOM 0 HD3 ARG A 10 -11.879 2.240 10.859 1.00 2.03 H new ATOM 0 HE ARG A 10 -10.996 -0.218 12.274 1.00 2.36 H new ATOM 0 HH11 ARG A 10 -12.830 1.115 9.545 1.00 3.64 H new ATOM 0 HH12 ARG A 10 -13.839 -0.325 9.377 1.00 3.64 H new ATOM 0 HH21 ARG A 10 -12.331 -2.040 12.089 1.00 3.74 H new ATOM 0 HH22 ARG A 10 -13.556 -2.114 10.819 1.00 3.74 H new ATOM 91 N TYR A 11 -9.040 3.499 7.099 1.00 0.48 N ATOM 92 CA TYR A 11 -9.326 3.317 5.680 1.00 0.44 C ATOM 93 C TYR A 11 -8.052 2.951 4.925 1.00 0.36 C ATOM 94 O TYR A 11 -8.013 1.973 4.187 1.00 0.38 O ATOM 95 CB TYR A 11 -9.914 4.604 5.092 1.00 0.50 C ATOM 96 CG TYR A 11 -9.872 4.663 3.573 1.00 0.56 C ATOM 97 CD1 TYR A 11 -10.437 3.631 2.798 1.00 0.62 C ATOM 98 CD2 TYR A 11 -9.137 5.683 2.936 1.00 0.68 C ATOM 99 CE1 TYR A 11 -10.236 3.602 1.406 1.00 0.75 C ATOM 100 CE2 TYR A 11 -8.945 5.658 1.544 1.00 0.82 C ATOM 101 CZ TYR A 11 -9.484 4.610 0.779 1.00 0.84 C ATOM 102 OH TYR A 11 -9.303 4.582 -0.572 1.00 1.04 O ATOM 0 H TYR A 11 -9.437 4.355 7.487 1.00 0.48 H new ATOM 0 HA TYR A 11 -10.049 2.508 5.575 1.00 0.44 H new ATOM 0 HB2 TYR A 11 -10.948 4.703 5.421 1.00 0.50 H new ATOM 0 HB3 TYR A 11 -9.369 5.458 5.494 1.00 0.50 H new ATOM 0 HD1 TYR A 11 -11.026 2.861 3.274 1.00 0.62 H new ATOM 0 HD2 TYR A 11 -8.719 6.489 3.521 1.00 0.68 H new ATOM 0 HE1 TYR A 11 -10.661 2.802 0.817 1.00 0.75 H new ATOM 0 HE2 TYR A 11 -8.383 6.444 1.062 1.00 0.82 H new ATOM 0 HH TYR A 11 -8.667 5.281 -0.831 1.00 1.04 H new ATOM 112 N GLN A 12 -7.015 3.764 5.103 1.00 0.31 N ATOM 113 CA GLN A 12 -5.766 3.602 4.404 1.00 0.28 C ATOM 114 C GLN A 12 -5.203 2.214 4.721 1.00 0.33 C ATOM 115 O GLN A 12 -4.927 1.450 3.801 1.00 0.35 O ATOM 116 CB GLN A 12 -4.854 4.766 4.800 1.00 0.28 C ATOM 117 CG GLN A 12 -5.344 6.051 4.113 1.00 0.29 C ATOM 118 CD GLN A 12 -4.458 7.254 4.421 1.00 0.41 C ATOM 119 OE1 GLN A 12 -3.792 7.283 5.455 1.00 0.57 O ATOM 120 NE2 GLN A 12 -4.458 8.243 3.529 1.00 0.49 N ATOM 0 H GLN A 12 -7.029 4.557 5.744 1.00 0.31 H new ATOM 0 HA GLN A 12 -5.876 3.640 3.320 1.00 0.28 H new ATOM 0 HB2 GLN A 12 -4.858 4.894 5.882 1.00 0.28 H new ATOM 0 HB3 GLN A 12 -3.826 4.553 4.508 1.00 0.28 H new ATOM 0 HG2 GLN A 12 -5.375 5.893 3.035 1.00 0.29 H new ATOM 0 HG3 GLN A 12 -6.364 6.264 4.433 1.00 0.29 H new ATOM 0 HE21 GLN A 12 -5.029 8.170 2.687 1.00 0.49 H new ATOM 0 HE22 GLN A 12 -3.887 9.073 3.688 1.00 0.49 H new ATOM 129 N THR A 13 -5.094 1.845 6.002 1.00 0.35 N ATOM 130 CA THR A 13 -4.685 0.500 6.397 1.00 0.38 C ATOM 131 C THR A 13 -5.557 -0.589 5.751 1.00 0.41 C ATOM 132 O THR A 13 -5.035 -1.587 5.259 1.00 0.44 O ATOM 133 CB THR A 13 -4.667 0.384 7.927 1.00 0.42 C ATOM 134 OG1 THR A 13 -3.920 1.458 8.461 1.00 0.42 O ATOM 135 CG2 THR A 13 -4.004 -0.937 8.341 1.00 0.44 C ATOM 0 H THR A 13 -5.286 2.468 6.786 1.00 0.35 H new ATOM 0 HA THR A 13 -3.674 0.334 6.026 1.00 0.38 H new ATOM 0 HB THR A 13 -5.690 0.411 8.304 1.00 0.42 H new ATOM 0 HG1 THR A 13 -3.905 1.392 9.439 1.00 0.42 H new ATOM 0 HG21 THR A 13 -3.994 -1.014 9.428 1.00 0.44 H new ATOM 0 HG22 THR A 13 -4.566 -1.773 7.923 1.00 0.44 H new ATOM 0 HG23 THR A 13 -2.981 -0.964 7.966 1.00 0.44 H new ATOM 143 N LEU A 14 -6.880 -0.422 5.748 1.00 0.43 N ATOM 144 CA LEU A 14 -7.814 -1.384 5.194 1.00 0.51 C ATOM 145 C LEU A 14 -7.500 -1.590 3.710 1.00 0.51 C ATOM 146 O LEU A 14 -7.358 -2.715 3.230 1.00 0.56 O ATOM 147 CB LEU A 14 -9.230 -0.804 5.359 1.00 0.54 C ATOM 148 CG LEU A 14 -10.063 -1.414 6.491 1.00 0.99 C ATOM 149 CD1 LEU A 14 -11.387 -0.648 6.597 1.00 0.99 C ATOM 150 CD2 LEU A 14 -10.362 -2.904 6.277 1.00 1.44 C ATOM 0 H LEU A 14 -7.334 0.403 6.139 1.00 0.43 H new ATOM 0 HA LEU A 14 -7.739 -2.345 5.704 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -9.147 0.269 5.530 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -9.770 -0.937 4.421 1.00 0.54 H new ATOM 0 HG LEU A 14 -9.480 -1.331 7.408 1.00 0.99 H new ATOM 0 HD11 LEU A 14 -11.990 -1.073 7.400 1.00 0.99 H new ATOM 0 HD12 LEU A 14 -11.184 0.401 6.812 1.00 0.99 H new ATOM 0 HD13 LEU A 14 -11.930 -0.727 5.655 1.00 0.99 H new ATOM 0 HD21 LEU A 14 -10.955 -3.280 7.111 1.00 1.44 H new ATOM 0 HD22 LEU A 14 -10.919 -3.034 5.349 1.00 1.44 H new ATOM 0 HD23 LEU A 14 -9.425 -3.458 6.219 1.00 1.44 H new ATOM 162 N GLU A 15 -7.395 -0.477 2.989 1.00 0.49 N ATOM 163 CA GLU A 15 -7.228 -0.454 1.550 1.00 0.51 C ATOM 164 C GLU A 15 -5.846 -1.007 1.203 1.00 0.44 C ATOM 165 O GLU A 15 -5.689 -1.749 0.240 1.00 0.45 O ATOM 166 CB GLU A 15 -7.441 0.990 1.084 1.00 0.65 C ATOM 167 CG GLU A 15 -7.587 1.164 -0.436 1.00 0.86 C ATOM 168 CD GLU A 15 -8.846 0.559 -1.033 1.00 1.54 C ATOM 169 OE1 GLU A 15 -9.703 0.030 -0.287 1.00 2.83 O ATOM 170 OE2 GLU A 15 -8.953 0.547 -2.280 1.00 2.08 O ATOM 0 H GLU A 15 -7.425 0.454 3.405 1.00 0.49 H new ATOM 0 HA GLU A 15 -7.953 -1.084 1.035 1.00 0.51 H new ATOM 0 HB2 GLU A 15 -8.335 1.385 1.568 1.00 0.65 H new ATOM 0 HB3 GLU A 15 -6.601 1.594 1.425 1.00 0.65 H new ATOM 0 HG2 GLU A 15 -7.568 2.229 -0.668 1.00 0.86 H new ATOM 0 HG3 GLU A 15 -6.721 0.716 -0.923 1.00 0.86 H new ATOM 177 N LEU A 16 -4.842 -0.699 2.024 1.00 0.41 N ATOM 178 CA LEU A 16 -3.525 -1.292 1.940 1.00 0.40 C ATOM 179 C LEU A 16 -3.598 -2.809 2.037 1.00 0.36 C ATOM 180 O LEU A 16 -3.008 -3.515 1.218 1.00 0.36 O ATOM 181 CB LEU A 16 -2.671 -0.751 3.088 1.00 0.40 C ATOM 182 CG LEU A 16 -2.088 0.621 2.786 1.00 0.51 C ATOM 183 CD1 LEU A 16 -1.612 1.278 4.079 1.00 0.53 C ATOM 184 CD2 LEU A 16 -0.917 0.436 1.833 1.00 0.55 C ATOM 0 H LEU A 16 -4.932 -0.017 2.777 1.00 0.41 H new ATOM 0 HA LEU A 16 -3.084 -1.035 0.977 1.00 0.40 H new ATOM 0 HB2 LEU A 16 -3.278 -0.693 3.992 1.00 0.40 H new ATOM 0 HB3 LEU A 16 -1.860 -1.449 3.293 1.00 0.40 H new ATOM 0 HG LEU A 16 -2.843 1.263 2.333 1.00 0.51 H new ATOM 0 HD11 LEU A 16 -1.195 2.260 3.856 1.00 0.53 H new ATOM 0 HD12 LEU A 16 -2.454 1.387 4.763 1.00 0.53 H new ATOM 0 HD13 LEU A 16 -0.846 0.656 4.543 1.00 0.53 H new ATOM 0 HD21 LEU A 16 -0.480 1.407 1.600 1.00 0.55 H new ATOM 0 HD22 LEU A 16 -0.164 -0.198 2.301 1.00 0.55 H new ATOM 0 HD23 LEU A 16 -1.267 -0.034 0.914 1.00 0.55 H new ATOM 196 N GLU A 17 -4.304 -3.309 3.052 1.00 0.39 N ATOM 197 CA GLU A 17 -4.484 -4.725 3.256 1.00 0.42 C ATOM 198 C GLU A 17 -5.128 -5.317 2.006 1.00 0.42 C ATOM 199 O GLU A 17 -4.628 -6.293 1.452 1.00 0.49 O ATOM 200 CB GLU A 17 -5.317 -4.901 4.530 1.00 0.53 C ATOM 201 CG GLU A 17 -4.569 -5.779 5.531 1.00 0.80 C ATOM 202 CD GLU A 17 -4.735 -7.270 5.292 1.00 1.22 C ATOM 203 OE1 GLU A 17 -5.224 -7.657 4.213 1.00 2.56 O ATOM 204 OE2 GLU A 17 -4.254 -8.021 6.172 1.00 2.17 O ATOM 0 H GLU A 17 -4.765 -2.729 3.753 1.00 0.39 H new ATOM 0 HA GLU A 17 -3.545 -5.260 3.400 1.00 0.42 H new ATOM 0 HB2 GLU A 17 -5.526 -3.928 4.974 1.00 0.53 H new ATOM 0 HB3 GLU A 17 -6.278 -5.353 4.285 1.00 0.53 H new ATOM 0 HG2 GLU A 17 -3.508 -5.532 5.494 1.00 0.80 H new ATOM 0 HG3 GLU A 17 -4.916 -5.542 6.537 1.00 0.80 H new ATOM 211 N LYS A 18 -6.181 -4.666 1.509 1.00 0.43 N ATOM 212 CA LYS A 18 -6.841 -5.073 0.286 1.00 0.48 C ATOM 213 C LYS A 18 -5.862 -5.112 -0.882 1.00 0.49 C ATOM 214 O LYS A 18 -5.846 -6.110 -1.597 1.00 0.59 O ATOM 215 CB LYS A 18 -8.048 -4.171 0.014 1.00 0.54 C ATOM 216 CG LYS A 18 -8.936 -4.724 -1.112 1.00 0.66 C ATOM 217 CD LYS A 18 -10.095 -3.758 -1.394 1.00 1.79 C ATOM 218 CE LYS A 18 -9.629 -2.598 -2.288 1.00 2.23 C ATOM 219 NZ LYS A 18 -10.542 -1.442 -2.229 1.00 3.35 N ATOM 0 H LYS A 18 -6.593 -3.843 1.949 1.00 0.43 H new ATOM 0 HA LYS A 18 -7.214 -6.090 0.406 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -8.638 -4.070 0.925 1.00 0.54 H new ATOM 0 HB3 LYS A 18 -7.702 -3.173 -0.254 1.00 0.54 H new ATOM 0 HG2 LYS A 18 -8.344 -4.867 -2.016 1.00 0.66 H new ATOM 0 HG3 LYS A 18 -9.328 -5.701 -0.830 1.00 0.66 H new ATOM 0 HD2 LYS A 18 -10.911 -4.293 -1.880 1.00 1.79 H new ATOM 0 HD3 LYS A 18 -10.485 -3.366 -0.455 1.00 1.79 H new ATOM 0 HE2 LYS A 18 -8.631 -2.285 -1.982 1.00 2.23 H new ATOM 0 HE3 LYS A 18 -9.552 -2.945 -3.318 1.00 2.23 H new ATOM 0 HZ1 LYS A 18 -10.127 -0.645 -2.752 1.00 3.35 H new ATOM 0 HZ2 LYS A 18 -11.455 -1.699 -2.656 1.00 3.35 H new ATOM 0 HZ3 LYS A 18 -10.689 -1.166 -1.237 1.00 3.35 H new ATOM 233 N GLU A 19 -5.040 -4.074 -1.081 1.00 0.48 N ATOM 234 CA GLU A 19 -4.070 -4.083 -2.168 1.00 0.58 C ATOM 235 C GLU A 19 -3.145 -5.280 -2.005 1.00 0.58 C ATOM 236 O GLU A 19 -3.011 -6.065 -2.935 1.00 0.72 O ATOM 237 CB GLU A 19 -3.306 -2.755 -2.243 1.00 0.74 C ATOM 238 CG GLU A 19 -4.100 -1.721 -3.052 1.00 1.85 C ATOM 239 CD GLU A 19 -3.991 -1.975 -4.551 1.00 1.56 C ATOM 240 OE1 GLU A 19 -2.921 -1.666 -5.118 1.00 2.13 O ATOM 241 OE2 GLU A 19 -4.975 -2.460 -5.150 1.00 2.30 O ATOM 0 H GLU A 19 -5.031 -3.230 -0.508 1.00 0.48 H new ATOM 0 HA GLU A 19 -4.591 -4.184 -3.120 1.00 0.58 H new ATOM 0 HB2 GLU A 19 -3.124 -2.376 -1.237 1.00 0.74 H new ATOM 0 HB3 GLU A 19 -2.331 -2.915 -2.704 1.00 0.74 H new ATOM 0 HG2 GLU A 19 -5.148 -1.751 -2.753 1.00 1.85 H new ATOM 0 HG3 GLU A 19 -3.732 -0.720 -2.825 1.00 1.85 H new ATOM 248 N PHE A 20 -2.546 -5.451 -0.826 1.00 0.51 N ATOM 249 CA PHE A 20 -1.654 -6.571 -0.559 1.00 0.54 C ATOM 250 C PHE A 20 -2.311 -7.919 -0.861 1.00 0.57 C ATOM 251 O PHE A 20 -1.727 -8.747 -1.567 1.00 0.72 O ATOM 252 CB PHE A 20 -1.180 -6.519 0.894 1.00 0.57 C ATOM 253 CG PHE A 20 -0.254 -7.656 1.279 1.00 0.55 C ATOM 254 CD1 PHE A 20 1.098 -7.608 0.908 1.00 0.95 C ATOM 255 CD2 PHE A 20 -0.769 -8.810 1.900 1.00 0.73 C ATOM 256 CE1 PHE A 20 1.964 -8.640 1.296 1.00 1.15 C ATOM 257 CE2 PHE A 20 0.106 -9.833 2.310 1.00 0.88 C ATOM 258 CZ PHE A 20 1.486 -9.705 2.077 1.00 0.95 C ATOM 0 H PHE A 20 -2.667 -4.818 -0.035 1.00 0.51 H new ATOM 0 HA PHE A 20 -0.797 -6.479 -1.226 1.00 0.54 H new ATOM 0 HB2 PHE A 20 -0.668 -5.572 1.065 1.00 0.57 H new ATOM 0 HB3 PHE A 20 -2.050 -6.534 1.550 1.00 0.57 H new ATOM 0 HD1 PHE A 20 1.471 -6.779 0.325 1.00 0.95 H new ATOM 0 HD2 PHE A 20 -1.832 -8.910 2.061 1.00 0.73 H new ATOM 0 HE1 PHE A 20 3.001 -8.616 0.994 1.00 1.15 H new ATOM 0 HE2 PHE A 20 -0.281 -10.713 2.802 1.00 0.88 H new ATOM 0 HZ PHE A 20 2.176 -10.422 2.497 1.00 0.95 H new ATOM 268 N HIS A 21 -3.492 -8.173 -0.286 1.00 0.53 N ATOM 269 CA HIS A 21 -4.147 -9.470 -0.360 1.00 0.63 C ATOM 270 C HIS A 21 -4.740 -9.733 -1.745 1.00 0.67 C ATOM 271 O HIS A 21 -4.703 -10.869 -2.220 1.00 0.88 O ATOM 272 CB HIS A 21 -5.106 -9.700 0.819 1.00 1.04 C ATOM 273 CG HIS A 21 -6.360 -8.873 0.923 1.00 1.94 C ATOM 274 ND1 HIS A 21 -6.774 -8.252 2.082 1.00 3.69 N ATOM 275 CD2 HIS A 21 -7.454 -8.960 0.101 1.00 2.89 C ATOM 276 CE1 HIS A 21 -8.076 -7.956 1.952 1.00 4.80 C ATOM 277 NE2 HIS A 21 -8.534 -8.356 0.753 1.00 4.42 N ATOM 0 H HIS A 21 -4.017 -7.477 0.244 1.00 0.53 H new ATOM 0 HA HIS A 21 -3.387 -10.242 -0.241 1.00 0.63 H new ATOM 0 HB2 HIS A 21 -5.406 -10.748 0.797 1.00 1.04 H new ATOM 0 HB3 HIS A 21 -4.538 -9.550 1.737 1.00 1.04 H new ATOM 0 HD1 HIS A 21 -6.192 -8.053 2.896 1.00 3.69 H new ATOM 0 HD2 HIS A 21 -7.478 -9.415 -0.878 1.00 2.89 H new ATOM 0 HE1 HIS A 21 -8.673 -7.465 2.706 1.00 4.80 H new ATOM 285 N PHE A 22 -5.173 -8.681 -2.442 1.00 0.72 N ATOM 286 CA PHE A 22 -5.426 -8.722 -3.876 1.00 0.74 C ATOM 287 C PHE A 22 -4.150 -9.160 -4.601 1.00 0.73 C ATOM 288 O PHE A 22 -4.109 -10.231 -5.202 1.00 1.00 O ATOM 289 CB PHE A 22 -5.909 -7.340 -4.347 1.00 0.72 C ATOM 290 CG PHE A 22 -5.865 -7.079 -5.840 1.00 0.89 C ATOM 291 CD1 PHE A 22 -6.308 -8.054 -6.754 1.00 1.24 C ATOM 292 CD2 PHE A 22 -5.338 -5.862 -6.316 1.00 1.28 C ATOM 293 CE1 PHE A 22 -6.179 -7.831 -8.136 1.00 1.64 C ATOM 294 CE2 PHE A 22 -5.209 -5.642 -7.697 1.00 1.58 C ATOM 295 CZ PHE A 22 -5.621 -6.629 -8.608 1.00 1.68 C ATOM 0 H PHE A 22 -5.358 -7.771 -2.020 1.00 0.72 H new ATOM 0 HA PHE A 22 -6.208 -9.445 -4.107 1.00 0.74 H new ATOM 0 HB2 PHE A 22 -6.936 -7.204 -4.007 1.00 0.72 H new ATOM 0 HB3 PHE A 22 -5.305 -6.580 -3.850 1.00 0.72 H new ATOM 0 HD1 PHE A 22 -6.747 -8.973 -6.394 1.00 1.24 H new ATOM 0 HD2 PHE A 22 -5.033 -5.097 -5.617 1.00 1.28 H new ATOM 0 HE1 PHE A 22 -6.509 -8.584 -8.837 1.00 1.64 H new ATOM 0 HE2 PHE A 22 -4.793 -4.713 -8.059 1.00 1.58 H new ATOM 0 HZ PHE A 22 -5.509 -6.465 -9.670 1.00 1.68 H new ATOM 305 N ASN A 23 -3.094 -8.349 -4.518 1.00 0.64 N ATOM 306 CA ASN A 23 -1.890 -8.473 -5.312 1.00 0.68 C ATOM 307 C ASN A 23 -0.682 -8.090 -4.448 1.00 0.59 C ATOM 308 O ASN A 23 -0.645 -7.022 -3.844 1.00 0.94 O ATOM 309 CB ASN A 23 -2.037 -7.555 -6.534 1.00 0.94 C ATOM 310 CG ASN A 23 -0.671 -7.194 -7.084 1.00 1.24 C ATOM 311 OD1 ASN A 23 -0.176 -7.810 -8.020 1.00 1.96 O ATOM 312 ND2 ASN A 23 -0.021 -6.248 -6.422 1.00 1.07 N ATOM 0 H ASN A 23 -3.062 -7.562 -3.870 1.00 0.64 H new ATOM 0 HA ASN A 23 -1.737 -9.495 -5.658 1.00 0.68 H new ATOM 0 HB2 ASN A 23 -2.627 -8.053 -7.303 1.00 0.94 H new ATOM 0 HB3 ASN A 23 -2.576 -6.650 -6.255 1.00 0.94 H new ATOM 0 HD21 ASN A 23 0.934 -6.005 -6.686 1.00 1.07 H new ATOM 0 HD22 ASN A 23 -0.476 -5.762 -5.649 1.00 1.07 H new ATOM 319 N ARG A 24 0.346 -8.937 -4.422 1.00 0.65 N ATOM 320 CA ARG A 24 1.491 -8.752 -3.561 1.00 0.67 C ATOM 321 C ARG A 24 2.378 -7.557 -3.938 1.00 0.64 C ATOM 322 O ARG A 24 2.775 -6.805 -3.047 1.00 0.85 O ATOM 323 CB ARG A 24 2.314 -10.048 -3.566 1.00 0.81 C ATOM 324 CG ARG A 24 2.415 -10.677 -2.171 1.00 1.04 C ATOM 325 CD ARG A 24 1.294 -11.684 -1.883 1.00 1.36 C ATOM 326 NE ARG A 24 -0.037 -11.081 -2.056 1.00 2.78 N ATOM 327 CZ ARG A 24 -1.129 -11.712 -2.513 1.00 3.71 C ATOM 328 NH1 ARG A 24 -1.175 -13.045 -2.595 1.00 3.55 N ATOM 329 NH2 ARG A 24 -2.167 -10.972 -2.881 1.00 5.46 N ATOM 0 H ARG A 24 0.399 -9.773 -5.005 1.00 0.65 H new ATOM 0 HA ARG A 24 1.112 -8.523 -2.565 1.00 0.67 H new ATOM 0 HB2 ARG A 24 1.859 -10.762 -4.252 1.00 0.81 H new ATOM 0 HB3 ARG A 24 3.316 -9.839 -3.941 1.00 0.81 H new ATOM 0 HG2 ARG A 24 3.379 -11.177 -2.073 1.00 1.04 H new ATOM 0 HG3 ARG A 24 2.388 -9.887 -1.420 1.00 1.04 H new ATOM 0 HD2 ARG A 24 1.395 -12.541 -2.549 1.00 1.36 H new ATOM 0 HD3 ARG A 24 1.394 -12.059 -0.864 1.00 1.36 H new ATOM 0 HE ARG A 24 -0.138 -10.097 -1.807 1.00 2.78 H new ATOM 0 HH11 ARG A 24 -0.370 -13.602 -2.307 1.00 3.55 H new ATOM 0 HH12 ARG A 24 -2.015 -13.506 -2.945 1.00 3.55 H new ATOM 0 HH21 ARG A 24 -2.119 -9.955 -2.812 1.00 5.46 H new ATOM 0 HH22 ARG A 24 -3.013 -11.420 -3.233 1.00 5.46 H new ATOM 343 N TYR A 25 2.805 -7.458 -5.202 1.00 0.58 N ATOM 344 CA TYR A 25 3.895 -6.581 -5.638 1.00 0.66 C ATOM 345 C TYR A 25 3.396 -5.579 -6.675 1.00 0.68 C ATOM 346 O TYR A 25 2.513 -5.910 -7.457 1.00 1.03 O ATOM 347 CB TYR A 25 5.026 -7.432 -6.222 1.00 0.90 C ATOM 348 CG TYR A 25 5.763 -8.266 -5.194 1.00 1.23 C ATOM 349 CD1 TYR A 25 6.571 -7.632 -4.231 1.00 1.59 C ATOM 350 CD2 TYR A 25 5.632 -9.667 -5.183 1.00 1.60 C ATOM 351 CE1 TYR A 25 7.199 -8.391 -3.231 1.00 1.96 C ATOM 352 CE2 TYR A 25 6.240 -10.423 -4.165 1.00 1.92 C ATOM 353 CZ TYR A 25 7.032 -9.785 -3.196 1.00 1.99 C ATOM 354 OH TYR A 25 7.530 -10.489 -2.142 1.00 2.39 O ATOM 0 H TYR A 25 2.394 -7.996 -5.965 1.00 0.58 H new ATOM 0 HA TYR A 25 4.268 -6.022 -4.780 1.00 0.66 H new ATOM 0 HB2 TYR A 25 4.613 -8.094 -6.983 1.00 0.90 H new ATOM 0 HB3 TYR A 25 5.739 -6.777 -6.722 1.00 0.90 H new ATOM 0 HD1 TYR A 25 6.708 -6.561 -4.262 1.00 1.59 H new ATOM 0 HD2 TYR A 25 5.064 -10.162 -5.957 1.00 1.60 H new ATOM 0 HE1 TYR A 25 7.811 -7.902 -2.488 1.00 1.96 H new ATOM 0 HE2 TYR A 25 6.098 -11.493 -4.128 1.00 1.92 H new ATOM 0 HH TYR A 25 7.333 -11.441 -2.263 1.00 2.39 H new ATOM 364 N LEU A 26 3.923 -4.350 -6.658 1.00 0.73 N ATOM 365 CA LEU A 26 3.352 -3.203 -7.316 1.00 0.75 C ATOM 366 C LEU A 26 4.422 -2.485 -8.136 1.00 0.83 C ATOM 367 O LEU A 26 5.460 -2.120 -7.587 1.00 1.12 O ATOM 368 CB LEU A 26 2.803 -2.254 -6.245 1.00 0.87 C ATOM 369 CG LEU A 26 1.508 -2.755 -5.586 1.00 1.20 C ATOM 370 CD1 LEU A 26 1.152 -1.775 -4.478 1.00 1.58 C ATOM 371 CD2 LEU A 26 0.324 -2.782 -6.546 1.00 1.37 C ATOM 0 H LEU A 26 4.789 -4.135 -6.164 1.00 0.73 H new ATOM 0 HA LEU A 26 2.552 -3.520 -7.986 1.00 0.75 H new ATOM 0 HB2 LEU A 26 3.561 -2.111 -5.475 1.00 0.87 H new ATOM 0 HB3 LEU A 26 2.618 -1.279 -6.696 1.00 0.87 H new ATOM 0 HG LEU A 26 1.687 -3.771 -5.234 1.00 1.20 H new ATOM 0 HD11 LEU A 26 0.235 -2.099 -3.986 1.00 1.58 H new ATOM 0 HD12 LEU A 26 1.962 -1.740 -3.749 1.00 1.58 H new ATOM 0 HD13 LEU A 26 1.004 -0.783 -4.904 1.00 1.58 H new ATOM 0 HD21 LEU A 26 -0.561 -3.145 -6.023 1.00 1.37 H new ATOM 0 HD22 LEU A 26 0.137 -1.776 -6.921 1.00 1.37 H new ATOM 0 HD23 LEU A 26 0.548 -3.445 -7.382 1.00 1.37 H new ATOM 383 N THR A 27 4.160 -2.263 -9.428 1.00 0.96 N ATOM 384 CA THR A 27 5.018 -1.466 -10.299 1.00 1.19 C ATOM 385 C THR A 27 4.569 -0.002 -10.276 1.00 0.93 C ATOM 386 O THR A 27 3.422 0.288 -9.934 1.00 1.67 O ATOM 387 CB THR A 27 5.053 -2.053 -11.719 1.00 1.77 C ATOM 388 OG1 THR A 27 5.972 -1.317 -12.503 1.00 2.94 O ATOM 389 CG2 THR A 27 3.686 -2.048 -12.414 1.00 1.59 C ATOM 0 H THR A 27 3.337 -2.637 -9.900 1.00 0.96 H new ATOM 0 HA THR A 27 6.042 -1.499 -9.927 1.00 1.19 H new ATOM 0 HB THR A 27 5.357 -3.095 -11.623 1.00 1.77 H new ATOM 0 HG1 THR A 27 6.000 -1.688 -13.409 1.00 2.94 H new ATOM 0 HG21 THR A 27 3.784 -2.476 -13.412 1.00 1.59 H new ATOM 0 HG22 THR A 27 2.980 -2.641 -11.832 1.00 1.59 H new ATOM 0 HG23 THR A 27 3.321 -1.024 -12.492 1.00 1.59 H new ATOM 397 N ARG A 28 5.485 0.906 -10.633 1.00 1.01 N ATOM 398 CA ARG A 28 5.424 2.354 -10.452 1.00 0.95 C ATOM 399 C ARG A 28 4.032 2.968 -10.648 1.00 0.73 C ATOM 400 O ARG A 28 3.553 3.707 -9.791 1.00 0.72 O ATOM 401 CB ARG A 28 6.501 3.021 -11.324 1.00 1.31 C ATOM 402 CG ARG A 28 6.400 2.713 -12.828 1.00 2.17 C ATOM 403 CD ARG A 28 7.611 3.292 -13.571 1.00 2.93 C ATOM 404 NE ARG A 28 7.560 2.969 -15.008 1.00 4.25 N ATOM 405 CZ ARG A 28 8.501 3.305 -15.907 1.00 5.32 C ATOM 406 NH1 ARG A 28 9.572 4.007 -15.519 1.00 5.46 N ATOM 407 NH2 ARG A 28 8.368 2.936 -17.186 1.00 6.81 N ATOM 0 H ARG A 28 6.352 0.622 -11.090 1.00 1.01 H new ATOM 0 HA ARG A 28 5.636 2.556 -9.402 1.00 0.95 H new ATOM 0 HB2 ARG A 28 6.443 4.100 -11.185 1.00 1.31 H new ATOM 0 HB3 ARG A 28 7.482 2.706 -10.969 1.00 1.31 H new ATOM 0 HG2 ARG A 28 6.350 1.635 -12.983 1.00 2.17 H new ATOM 0 HG3 ARG A 28 5.480 3.136 -13.232 1.00 2.17 H new ATOM 0 HD2 ARG A 28 7.638 4.374 -13.440 1.00 2.93 H new ATOM 0 HD3 ARG A 28 8.530 2.895 -13.139 1.00 2.93 H new ATOM 0 HE ARG A 28 6.749 2.451 -15.346 1.00 4.25 H new ATOM 0 HH11 ARG A 28 9.673 4.286 -14.543 1.00 5.46 H new ATOM 0 HH12 ARG A 28 10.288 4.263 -16.199 1.00 5.46 H new ATOM 0 HH21 ARG A 28 7.552 2.399 -17.480 1.00 6.81 H new ATOM 0 HH22 ARG A 28 9.083 3.192 -17.867 1.00 6.81 H new ATOM 421 N ARG A 29 3.363 2.643 -11.756 1.00 0.69 N ATOM 422 CA ARG A 29 2.077 3.242 -12.086 1.00 0.65 C ATOM 423 C ARG A 29 1.056 2.853 -11.018 1.00 0.60 C ATOM 424 O ARG A 29 0.377 3.713 -10.456 1.00 0.61 O ATOM 425 CB ARG A 29 1.647 2.778 -13.491 1.00 0.84 C ATOM 426 CG ARG A 29 0.149 2.937 -13.795 1.00 1.31 C ATOM 427 CD ARG A 29 -0.351 4.387 -13.746 1.00 1.60 C ATOM 428 NE ARG A 29 -1.821 4.400 -13.694 1.00 2.08 N ATOM 429 CZ ARG A 29 -2.648 5.416 -13.972 1.00 2.44 C ATOM 430 NH1 ARG A 29 -2.177 6.573 -14.449 1.00 3.10 N ATOM 431 NH2 ARG A 29 -3.951 5.243 -13.752 1.00 3.36 N ATOM 0 H ARG A 29 3.696 1.964 -12.440 1.00 0.69 H new ATOM 0 HA ARG A 29 2.149 4.329 -12.101 1.00 0.65 H new ATOM 0 HB2 ARG A 29 2.215 3.340 -14.233 1.00 0.84 H new ATOM 0 HB3 ARG A 29 1.918 1.729 -13.610 1.00 0.84 H new ATOM 0 HG2 ARG A 29 -0.055 2.527 -14.784 1.00 1.31 H new ATOM 0 HG3 ARG A 29 -0.421 2.343 -13.080 1.00 1.31 H new ATOM 0 HD2 ARG A 29 0.058 4.894 -12.872 1.00 1.60 H new ATOM 0 HD3 ARG A 29 -0.003 4.932 -14.623 1.00 1.60 H new ATOM 0 HE ARG A 29 -2.266 3.527 -13.411 1.00 2.08 H new ATOM 0 HH11 ARG A 29 -1.176 6.690 -14.606 1.00 3.10 H new ATOM 0 HH12 ARG A 29 -2.819 7.338 -14.656 1.00 3.10 H new ATOM 0 HH21 ARG A 29 -4.292 4.356 -13.382 1.00 3.36 H new ATOM 0 HH22 ARG A 29 -4.607 5.998 -13.954 1.00 3.36 H new ATOM 445 N ARG A 30 0.960 1.556 -10.723 1.00 0.65 N ATOM 446 CA ARG A 30 0.027 1.090 -9.717 1.00 0.67 C ATOM 447 C ARG A 30 0.469 1.648 -8.356 1.00 0.63 C ATOM 448 O ARG A 30 -0.343 2.134 -7.578 1.00 0.69 O ATOM 449 CB ARG A 30 -0.078 -0.442 -9.744 1.00 0.79 C ATOM 450 CG ARG A 30 -1.505 -0.933 -9.439 1.00 1.22 C ATOM 451 CD ARG A 30 -2.099 -0.283 -8.182 1.00 1.13 C ATOM 452 NE ARG A 30 -3.293 -0.970 -7.679 1.00 1.20 N ATOM 453 CZ ARG A 30 -4.536 -0.871 -8.174 1.00 1.87 C ATOM 454 NH1 ARG A 30 -4.789 -0.144 -9.269 1.00 2.82 N ATOM 455 NH2 ARG A 30 -5.537 -1.506 -7.558 1.00 2.44 N ATOM 0 H ARG A 30 1.514 0.822 -11.165 1.00 0.65 H new ATOM 0 HA ARG A 30 -0.980 1.455 -9.920 1.00 0.67 H new ATOM 0 HB2 ARG A 30 0.229 -0.808 -10.724 1.00 0.79 H new ATOM 0 HB3 ARG A 30 0.613 -0.865 -9.015 1.00 0.79 H new ATOM 0 HG2 ARG A 30 -2.149 -0.719 -10.292 1.00 1.22 H new ATOM 0 HG3 ARG A 30 -1.493 -2.016 -9.312 1.00 1.22 H new ATOM 0 HD2 ARG A 30 -1.342 -0.266 -7.398 1.00 1.13 H new ATOM 0 HD3 ARG A 30 -2.352 0.754 -8.403 1.00 1.13 H new ATOM 0 HE ARG A 30 -3.166 -1.583 -6.874 1.00 1.20 H new ATOM 0 HH11 ARG A 30 -4.030 0.347 -9.742 1.00 2.82 H new ATOM 0 HH12 ARG A 30 -5.741 -0.081 -9.630 1.00 2.82 H new ATOM 0 HH21 ARG A 30 -5.352 -2.059 -6.721 1.00 2.44 H new ATOM 0 HH22 ARG A 30 -6.486 -1.438 -7.925 1.00 2.44 H new ATOM 469 N ARG A 31 1.775 1.621 -8.078 1.00 0.68 N ATOM 470 CA ARG A 31 2.372 2.152 -6.862 1.00 0.81 C ATOM 471 C ARG A 31 1.854 3.561 -6.553 1.00 0.72 C ATOM 472 O ARG A 31 1.448 3.828 -5.417 1.00 0.88 O ATOM 473 CB ARG A 31 3.904 2.149 -7.038 1.00 0.96 C ATOM 474 CG ARG A 31 4.715 1.605 -5.866 1.00 1.59 C ATOM 475 CD ARG A 31 4.485 2.397 -4.577 1.00 0.91 C ATOM 476 NE ARG A 31 3.174 2.087 -4.001 1.00 2.88 N ATOM 477 CZ ARG A 31 2.859 0.935 -3.386 1.00 4.70 C ATOM 478 NH1 ARG A 31 3.809 0.043 -3.085 1.00 4.82 N ATOM 479 NH2 ARG A 31 1.590 0.682 -3.061 1.00 6.94 N ATOM 0 H ARG A 31 2.461 1.216 -8.715 1.00 0.68 H new ATOM 0 HA ARG A 31 2.094 1.526 -6.014 1.00 0.81 H new ATOM 0 HB2 ARG A 31 4.146 1.562 -7.924 1.00 0.96 H new ATOM 0 HB3 ARG A 31 4.228 3.171 -7.234 1.00 0.96 H new ATOM 0 HG2 ARG A 31 4.451 0.561 -5.699 1.00 1.59 H new ATOM 0 HG3 ARG A 31 5.775 1.629 -6.119 1.00 1.59 H new ATOM 0 HD2 ARG A 31 5.268 2.162 -3.856 1.00 0.91 H new ATOM 0 HD3 ARG A 31 4.552 3.465 -4.784 1.00 0.91 H new ATOM 0 HE ARG A 31 2.447 2.799 -4.072 1.00 2.88 H new ATOM 0 HH11 ARG A 31 4.782 0.235 -3.322 1.00 4.82 H new ATOM 0 HH12 ARG A 31 3.560 -0.829 -2.618 1.00 4.82 H new ATOM 0 HH21 ARG A 31 0.862 1.362 -3.280 1.00 6.94 H new ATOM 0 HH22 ARG A 31 1.348 -0.192 -2.594 1.00 6.94 H new ATOM 493 N ILE A 32 1.854 4.426 -7.570 1.00 0.59 N ATOM 494 CA ILE A 32 1.293 5.766 -7.497 1.00 0.61 C ATOM 495 C ILE A 32 -0.224 5.723 -7.350 1.00 0.61 C ATOM 496 O ILE A 32 -0.770 6.448 -6.524 1.00 0.63 O ATOM 497 CB ILE A 32 1.730 6.576 -8.731 1.00 0.64 C ATOM 498 CG1 ILE A 32 3.186 7.056 -8.597 1.00 0.75 C ATOM 499 CG2 ILE A 32 0.785 7.752 -9.005 1.00 0.77 C ATOM 500 CD1 ILE A 32 3.378 8.193 -7.583 1.00 0.86 C ATOM 0 H ILE A 32 2.253 4.205 -8.482 1.00 0.59 H new ATOM 0 HA ILE A 32 1.676 6.265 -6.607 1.00 0.61 H new ATOM 0 HB ILE A 32 1.674 5.907 -9.590 1.00 0.64 H new ATOM 0 HG12 ILE A 32 3.810 6.212 -8.304 1.00 0.75 H new ATOM 0 HG13 ILE A 32 3.539 7.390 -9.573 1.00 0.75 H new ATOM 0 HG21 ILE A 32 1.129 8.298 -9.884 1.00 0.77 H new ATOM 0 HG22 ILE A 32 -0.222 7.376 -9.183 1.00 0.77 H new ATOM 0 HG23 ILE A 32 0.776 8.420 -8.144 1.00 0.77 H new ATOM 0 HD11 ILE A 32 4.430 8.474 -7.547 1.00 0.86 H new ATOM 0 HD12 ILE A 32 2.782 9.054 -7.885 1.00 0.86 H new ATOM 0 HD13 ILE A 32 3.058 7.858 -6.596 1.00 0.86 H new ATOM 512 N GLU A 33 -0.925 4.920 -8.151 1.00 0.60 N ATOM 513 CA GLU A 33 -2.368 4.852 -8.127 1.00 0.63 C ATOM 514 C GLU A 33 -2.866 4.595 -6.706 1.00 0.54 C ATOM 515 O GLU A 33 -3.800 5.260 -6.272 1.00 0.55 O ATOM 516 CB GLU A 33 -2.774 3.676 -9.013 1.00 0.72 C ATOM 517 CG GLU A 33 -3.079 4.038 -10.459 1.00 1.01 C ATOM 518 CD GLU A 33 -3.475 2.799 -11.257 1.00 2.55 C ATOM 519 OE1 GLU A 33 -3.529 1.698 -10.659 1.00 3.69 O ATOM 520 OE2 GLU A 33 -3.691 2.984 -12.475 1.00 3.30 O ATOM 0 H GLU A 33 -0.495 4.298 -8.836 1.00 0.60 H new ATOM 0 HA GLU A 33 -2.797 5.791 -8.478 1.00 0.63 H new ATOM 0 HB2 GLU A 33 -1.973 2.937 -9.000 1.00 0.72 H new ATOM 0 HB3 GLU A 33 -3.654 3.200 -8.580 1.00 0.72 H new ATOM 0 HG2 GLU A 33 -3.885 4.771 -10.493 1.00 1.01 H new ATOM 0 HG3 GLU A 33 -2.205 4.505 -10.914 1.00 1.01 H new ATOM 527 N ILE A 34 -2.269 3.657 -5.960 1.00 0.51 N ATOM 528 CA ILE A 34 -2.639 3.468 -4.585 1.00 0.49 C ATOM 529 C ILE A 34 -2.356 4.744 -3.796 1.00 0.42 C ATOM 530 O ILE A 34 -3.226 5.199 -3.061 1.00 0.45 O ATOM 531 CB ILE A 34 -2.049 2.157 -4.035 1.00 0.56 C ATOM 532 CG1 ILE A 34 -1.459 2.254 -2.622 1.00 0.88 C ATOM 533 CG2 ILE A 34 -1.077 1.395 -4.925 1.00 0.76 C ATOM 534 CD1 ILE A 34 -1.518 0.945 -1.829 1.00 1.16 C ATOM 0 H ILE A 34 -1.537 3.032 -6.297 1.00 0.51 H new ATOM 0 HA ILE A 34 -3.713 3.318 -4.477 1.00 0.49 H new ATOM 0 HB ILE A 34 -2.963 1.565 -4.005 1.00 0.56 H new ATOM 0 HG12 ILE A 34 -0.420 2.576 -2.695 1.00 0.88 H new ATOM 0 HG13 ILE A 34 -1.994 3.026 -2.069 1.00 0.88 H new ATOM 0 HG21 ILE A 34 -0.742 0.494 -4.411 1.00 0.76 H new ATOM 0 HG22 ILE A 34 -1.575 1.119 -5.854 1.00 0.76 H new ATOM 0 HG23 ILE A 34 -0.217 2.026 -5.148 1.00 0.76 H new ATOM 0 HD11 ILE A 34 -1.082 1.098 -0.842 1.00 1.16 H new ATOM 0 HD12 ILE A 34 -2.556 0.631 -1.722 1.00 1.16 H new ATOM 0 HD13 ILE A 34 -0.958 0.174 -2.358 1.00 1.16 H new ATOM 546 N ALA A 35 -1.191 5.374 -3.969 1.00 0.41 N ATOM 547 CA ALA A 35 -0.984 6.665 -3.321 1.00 0.44 C ATOM 548 C ALA A 35 -2.082 7.668 -3.654 1.00 0.51 C ATOM 549 O ALA A 35 -2.491 8.394 -2.761 1.00 0.60 O ATOM 550 CB ALA A 35 0.433 7.212 -3.513 1.00 0.50 C ATOM 0 H ALA A 35 -0.410 5.029 -4.527 1.00 0.41 H new ATOM 0 HA ALA A 35 -1.070 6.487 -2.249 1.00 0.44 H new ATOM 0 HB1 ALA A 35 0.523 8.174 -3.008 1.00 0.50 H new ATOM 0 HB2 ALA A 35 1.154 6.511 -3.091 1.00 0.50 H new ATOM 0 HB3 ALA A 35 0.632 7.341 -4.577 1.00 0.50 H new ATOM 556 N HIS A 36 -2.633 7.671 -4.867 1.00 0.57 N ATOM 557 CA HIS A 36 -3.822 8.478 -5.157 1.00 0.67 C ATOM 558 C HIS A 36 -5.049 7.999 -4.380 1.00 0.68 C ATOM 559 O HIS A 36 -5.678 8.786 -3.677 1.00 0.73 O ATOM 560 CB HIS A 36 -4.076 8.555 -6.668 1.00 0.72 C ATOM 561 CG HIS A 36 -2.944 9.213 -7.410 1.00 0.69 C ATOM 562 ND1 HIS A 36 -2.796 9.302 -8.775 1.00 0.82 N ATOM 563 CD2 HIS A 36 -1.918 9.909 -6.833 1.00 0.71 C ATOM 564 CE1 HIS A 36 -1.696 10.041 -9.010 1.00 0.82 C ATOM 565 NE2 HIS A 36 -1.127 10.435 -7.858 1.00 0.76 N ATOM 0 H HIS A 36 -2.282 7.131 -5.658 1.00 0.57 H new ATOM 0 HA HIS A 36 -3.626 9.492 -4.809 1.00 0.67 H new ATOM 0 HB2 HIS A 36 -4.227 7.549 -7.060 1.00 0.72 H new ATOM 0 HB3 HIS A 36 -4.997 9.109 -6.851 1.00 0.72 H new ATOM 0 HD2 HIS A 36 -1.749 10.031 -5.773 1.00 0.71 H new ATOM 0 HE1 HIS A 36 -1.321 10.285 -9.993 1.00 0.82 H new ATOM 0 HE2 HIS A 36 -0.287 11.004 -7.753 1.00 0.76 H new ATOM 573 N ALA A 37 -5.388 6.715 -4.493 1.00 0.65 N ATOM 574 CA ALA A 37 -6.557 6.130 -3.849 1.00 0.69 C ATOM 575 C ALA A 37 -6.542 6.331 -2.332 1.00 0.67 C ATOM 576 O ALA A 37 -7.600 6.437 -1.712 1.00 0.81 O ATOM 577 CB ALA A 37 -6.642 4.640 -4.190 1.00 0.71 C ATOM 0 H ALA A 37 -4.849 6.046 -5.042 1.00 0.65 H new ATOM 0 HA ALA A 37 -7.440 6.644 -4.230 1.00 0.69 H new ATOM 0 HB1 ALA A 37 -7.517 4.206 -3.707 1.00 0.71 H new ATOM 0 HB2 ALA A 37 -6.726 4.518 -5.270 1.00 0.71 H new ATOM 0 HB3 ALA A 37 -5.744 4.134 -3.836 1.00 0.71 H new ATOM 583 N LEU A 38 -5.354 6.352 -1.721 1.00 0.54 N ATOM 584 CA LEU A 38 -5.226 6.548 -0.288 1.00 0.51 C ATOM 585 C LEU A 38 -5.068 8.027 0.024 1.00 0.50 C ATOM 586 O LEU A 38 -5.576 8.508 1.032 1.00 0.52 O ATOM 587 CB LEU A 38 -4.066 5.739 0.268 1.00 0.51 C ATOM 588 CG LEU A 38 -4.115 4.241 -0.065 1.00 0.80 C ATOM 589 CD1 LEU A 38 -3.196 3.429 0.845 1.00 1.26 C ATOM 590 CD2 LEU A 38 -5.511 3.639 0.035 1.00 1.56 C ATOM 0 H LEU A 38 -4.465 6.234 -2.208 1.00 0.54 H new ATOM 0 HA LEU A 38 -6.135 6.191 0.197 1.00 0.51 H new ATOM 0 HB2 LEU A 38 -3.134 6.153 -0.116 1.00 0.51 H new ATOM 0 HB3 LEU A 38 -4.044 5.857 1.351 1.00 0.51 H new ATOM 0 HG LEU A 38 -3.782 4.183 -1.101 1.00 0.80 H new ATOM 0 HD11 LEU A 38 -3.259 2.374 0.578 1.00 1.26 H new ATOM 0 HD12 LEU A 38 -2.169 3.773 0.725 1.00 1.26 H new ATOM 0 HD13 LEU A 38 -3.504 3.559 1.883 1.00 1.26 H new ATOM 0 HD21 LEU A 38 -5.469 2.579 -0.214 1.00 1.56 H new ATOM 0 HD22 LEU A 38 -5.887 3.759 1.051 1.00 1.56 H new ATOM 0 HD23 LEU A 38 -6.178 4.149 -0.661 1.00 1.56 H new ATOM 602 N SER A 39 -4.310 8.721 -0.822 1.00 0.54 N ATOM 603 CA SER A 39 -3.674 9.982 -0.521 1.00 0.54 C ATOM 604 C SER A 39 -2.830 9.829 0.744 1.00 0.59 C ATOM 605 O SER A 39 -3.094 10.375 1.814 1.00 0.85 O ATOM 606 CB SER A 39 -4.632 11.160 -0.677 1.00 0.72 C ATOM 607 OG SER A 39 -3.980 12.399 -0.471 1.00 2.13 O ATOM 0 H SER A 39 -4.120 8.399 -1.771 1.00 0.54 H new ATOM 0 HA SER A 39 -2.932 10.272 -1.265 1.00 0.54 H new ATOM 0 HB2 SER A 39 -5.071 11.142 -1.675 1.00 0.72 H new ATOM 0 HB3 SER A 39 -5.452 11.058 0.034 1.00 0.72 H new ATOM 0 HG SER A 39 -4.624 13.130 -0.580 1.00 2.13 H new ATOM 613 N LEU A 40 -1.775 9.031 0.558 1.00 0.57 N ATOM 614 CA LEU A 40 -0.584 8.984 1.377 1.00 0.65 C ATOM 615 C LEU A 40 0.575 9.446 0.502 1.00 0.61 C ATOM 616 O LEU A 40 0.459 9.548 -0.715 1.00 0.87 O ATOM 617 CB LEU A 40 -0.347 7.547 1.843 1.00 0.67 C ATOM 618 CG LEU A 40 -1.101 7.224 3.132 1.00 0.92 C ATOM 619 CD1 LEU A 40 -1.203 5.707 3.265 1.00 1.17 C ATOM 620 CD2 LEU A 40 -0.424 7.815 4.375 1.00 1.08 C ATOM 0 H LEU A 40 -1.738 8.367 -0.215 1.00 0.57 H new ATOM 0 HA LEU A 40 -0.681 9.620 2.257 1.00 0.65 H new ATOM 0 HB2 LEU A 40 -0.659 6.857 1.059 1.00 0.67 H new ATOM 0 HB3 LEU A 40 0.720 7.389 2.000 1.00 0.67 H new ATOM 0 HG LEU A 40 -2.091 7.677 3.071 1.00 0.92 H new ATOM 0 HD11 LEU A 40 -1.739 5.457 4.181 1.00 1.17 H new ATOM 0 HD12 LEU A 40 -1.741 5.302 2.408 1.00 1.17 H new ATOM 0 HD13 LEU A 40 -0.202 5.277 3.302 1.00 1.17 H new ATOM 0 HD21 LEU A 40 -1.002 7.555 5.262 1.00 1.08 H new ATOM 0 HD22 LEU A 40 0.584 7.411 4.467 1.00 1.08 H new ATOM 0 HD23 LEU A 40 -0.373 8.900 4.280 1.00 1.08 H new ATOM 632 N THR A 41 1.725 9.681 1.125 1.00 0.69 N ATOM 633 CA THR A 41 2.847 10.393 0.528 1.00 0.75 C ATOM 634 C THR A 41 3.776 9.446 -0.255 1.00 0.75 C ATOM 635 O THR A 41 4.976 9.709 -0.331 1.00 0.99 O ATOM 636 CB THR A 41 3.546 11.209 1.641 1.00 1.01 C ATOM 637 OG1 THR A 41 4.648 11.930 1.125 1.00 1.78 O ATOM 638 CG2 THR A 41 3.985 10.358 2.849 1.00 1.16 C ATOM 0 H THR A 41 1.906 9.374 2.081 1.00 0.69 H new ATOM 0 HA THR A 41 2.500 11.096 -0.229 1.00 0.75 H new ATOM 0 HB THR A 41 2.795 11.908 2.010 1.00 1.01 H new ATOM 0 HG1 THR A 41 5.102 11.391 0.444 1.00 1.78 H new ATOM 0 HG21 THR A 41 4.467 10.997 3.588 1.00 1.16 H new ATOM 0 HG22 THR A 41 3.112 9.882 3.295 1.00 1.16 H new ATOM 0 HG23 THR A 41 4.687 9.592 2.519 1.00 1.16 H new ATOM 646 N GLU A 42 3.219 8.361 -0.810 1.00 0.72 N ATOM 647 CA GLU A 42 3.829 7.246 -1.533 1.00 0.87 C ATOM 648 C GLU A 42 4.874 6.488 -0.717 1.00 0.88 C ATOM 649 O GLU A 42 4.761 5.281 -0.531 1.00 0.92 O ATOM 650 CB GLU A 42 4.355 7.631 -2.922 1.00 1.13 C ATOM 651 CG GLU A 42 4.562 6.338 -3.737 1.00 1.88 C ATOM 652 CD GLU A 42 5.251 6.548 -5.076 1.00 2.16 C ATOM 653 OE1 GLU A 42 5.935 7.584 -5.214 1.00 2.54 O ATOM 654 OE2 GLU A 42 5.113 5.633 -5.915 1.00 3.43 O ATOM 0 H GLU A 42 2.209 8.233 -0.753 1.00 0.72 H new ATOM 0 HA GLU A 42 3.007 6.549 -1.699 1.00 0.87 H new ATOM 0 HB2 GLU A 42 3.648 8.289 -3.427 1.00 1.13 H new ATOM 0 HB3 GLU A 42 5.293 8.179 -2.834 1.00 1.13 H new ATOM 0 HG2 GLU A 42 5.151 5.639 -3.144 1.00 1.88 H new ATOM 0 HG3 GLU A 42 3.592 5.872 -3.910 1.00 1.88 H new ATOM 661 N ARG A 43 5.900 7.176 -0.223 1.00 0.88 N ATOM 662 CA ARG A 43 6.969 6.534 0.532 1.00 0.87 C ATOM 663 C ARG A 43 6.389 5.786 1.734 1.00 0.81 C ATOM 664 O ARG A 43 6.823 4.681 2.039 1.00 0.83 O ATOM 665 CB ARG A 43 8.090 7.517 0.903 1.00 0.89 C ATOM 666 CG ARG A 43 7.693 8.588 1.927 1.00 2.23 C ATOM 667 CD ARG A 43 8.882 9.528 2.191 1.00 2.47 C ATOM 668 NE ARG A 43 8.555 10.571 3.182 1.00 3.82 N ATOM 669 CZ ARG A 43 7.698 11.583 2.971 1.00 4.89 C ATOM 670 NH1 ARG A 43 7.172 11.747 1.758 1.00 5.02 N ATOM 671 NH2 ARG A 43 7.356 12.406 3.968 1.00 6.44 N ATOM 0 H ARG A 43 6.012 8.184 -0.334 1.00 0.88 H new ATOM 0 HA ARG A 43 7.449 5.792 -0.107 1.00 0.87 H new ATOM 0 HB2 ARG A 43 8.934 6.952 1.298 1.00 0.89 H new ATOM 0 HB3 ARG A 43 8.435 8.012 -0.005 1.00 0.89 H new ATOM 0 HG2 ARG A 43 6.842 9.160 1.557 1.00 2.23 H new ATOM 0 HG3 ARG A 43 7.379 8.115 2.857 1.00 2.23 H new ATOM 0 HD2 ARG A 43 9.732 8.946 2.545 1.00 2.47 H new ATOM 0 HD3 ARG A 43 9.186 9.999 1.256 1.00 2.47 H new ATOM 0 HE ARG A 43 9.012 10.520 4.092 1.00 3.82 H new ATOM 0 HH11 ARG A 43 7.422 11.108 1.003 1.00 5.02 H new ATOM 0 HH12 ARG A 43 6.520 12.512 1.584 1.00 5.02 H new ATOM 0 HH21 ARG A 43 7.747 12.268 4.900 1.00 6.44 H new ATOM 0 HH22 ARG A 43 6.704 13.172 3.797 1.00 6.44 H new ATOM 685 N GLN A 44 5.365 6.366 2.368 1.00 0.78 N ATOM 686 CA GLN A 44 4.586 5.744 3.420 1.00 0.78 C ATOM 687 C GLN A 44 4.068 4.376 2.976 1.00 0.73 C ATOM 688 O GLN A 44 4.394 3.345 3.560 1.00 0.59 O ATOM 689 CB GLN A 44 3.417 6.692 3.752 1.00 0.75 C ATOM 690 CG GLN A 44 3.718 7.630 4.922 1.00 1.25 C ATOM 691 CD GLN A 44 3.815 6.894 6.254 1.00 1.22 C ATOM 692 OE1 GLN A 44 4.740 6.126 6.492 1.00 2.52 O ATOM 693 NE2 GLN A 44 2.883 7.119 7.165 1.00 2.28 N ATOM 0 H GLN A 44 5.053 7.312 2.149 1.00 0.78 H new ATOM 0 HA GLN A 44 5.203 5.579 4.303 1.00 0.78 H new ATOM 0 HB2 GLN A 44 3.177 7.286 2.870 1.00 0.75 H new ATOM 0 HB3 GLN A 44 2.533 6.100 3.987 1.00 0.75 H new ATOM 0 HG2 GLN A 44 4.655 8.153 4.731 1.00 1.25 H new ATOM 0 HG3 GLN A 44 2.937 8.388 4.986 1.00 1.25 H new ATOM 0 HE21 GLN A 44 2.115 7.759 6.962 1.00 2.28 H new ATOM 0 HE22 GLN A 44 2.932 6.652 8.071 1.00 2.28 H new ATOM 702 N ILE A 45 3.250 4.390 1.927 1.00 1.02 N ATOM 703 CA ILE A 45 2.735 3.218 1.248 1.00 0.92 C ATOM 704 C ILE A 45 3.852 2.213 0.948 1.00 0.83 C ATOM 705 O ILE A 45 3.686 1.020 1.187 1.00 0.69 O ATOM 706 CB ILE A 45 2.016 3.723 -0.016 1.00 1.06 C ATOM 707 CG1 ILE A 45 0.526 3.917 0.238 1.00 1.27 C ATOM 708 CG2 ILE A 45 2.156 2.789 -1.200 1.00 0.92 C ATOM 709 CD1 ILE A 45 -0.012 4.995 -0.693 1.00 1.55 C ATOM 0 H ILE A 45 2.917 5.261 1.513 1.00 1.02 H new ATOM 0 HA ILE A 45 2.031 2.669 1.873 1.00 0.92 H new ATOM 0 HB ILE A 45 2.500 4.670 -0.255 1.00 1.06 H new ATOM 0 HG12 ILE A 45 -0.007 2.980 0.073 1.00 1.27 H new ATOM 0 HG13 ILE A 45 0.357 4.201 1.277 1.00 1.27 H new ATOM 0 HG21 ILE A 45 1.626 3.205 -2.057 1.00 0.92 H new ATOM 0 HG22 ILE A 45 3.211 2.672 -1.448 1.00 0.92 H new ATOM 0 HG23 ILE A 45 1.732 1.817 -0.949 1.00 0.92 H new ATOM 0 HD11 ILE A 45 -1.078 5.134 -0.511 1.00 1.55 H new ATOM 0 HD12 ILE A 45 0.513 5.932 -0.507 1.00 1.55 H new ATOM 0 HD13 ILE A 45 0.143 4.692 -1.728 1.00 1.55 H new ATOM 721 N LYS A 46 4.974 2.670 0.390 1.00 0.91 N ATOM 722 CA LYS A 46 6.072 1.802 0.000 1.00 0.86 C ATOM 723 C LYS A 46 6.640 1.110 1.247 1.00 0.62 C ATOM 724 O LYS A 46 6.819 -0.104 1.240 1.00 0.60 O ATOM 725 CB LYS A 46 7.139 2.623 -0.740 1.00 1.06 C ATOM 726 CG LYS A 46 8.235 1.729 -1.340 1.00 1.28 C ATOM 727 CD LYS A 46 9.235 2.521 -2.199 1.00 2.29 C ATOM 728 CE LYS A 46 10.094 3.484 -1.362 1.00 3.35 C ATOM 729 NZ LYS A 46 11.148 4.134 -2.171 1.00 4.61 N ATOM 0 H LYS A 46 5.142 3.658 0.198 1.00 0.91 H new ATOM 0 HA LYS A 46 5.721 1.027 -0.681 1.00 0.86 H new ATOM 0 HB2 LYS A 46 6.666 3.201 -1.534 1.00 1.06 H new ATOM 0 HB3 LYS A 46 7.590 3.337 -0.051 1.00 1.06 H new ATOM 0 HG2 LYS A 46 8.771 1.226 -0.535 1.00 1.28 H new ATOM 0 HG3 LYS A 46 7.773 0.952 -1.949 1.00 1.28 H new ATOM 0 HD2 LYS A 46 9.886 1.825 -2.729 1.00 2.29 H new ATOM 0 HD3 LYS A 46 8.691 3.087 -2.955 1.00 2.29 H new ATOM 0 HE2 LYS A 46 9.455 4.248 -0.919 1.00 3.35 H new ATOM 0 HE3 LYS A 46 10.554 2.937 -0.539 1.00 3.35 H new ATOM 0 HZ1 LYS A 46 11.703 4.774 -1.568 1.00 4.61 H new ATOM 0 HZ2 LYS A 46 11.774 3.408 -2.573 1.00 4.61 H new ATOM 0 HZ3 LYS A 46 10.709 4.678 -2.941 1.00 4.61 H new ATOM 743 N ILE A 47 6.909 1.873 2.312 1.00 0.53 N ATOM 744 CA ILE A 47 7.338 1.368 3.613 1.00 0.43 C ATOM 745 C ILE A 47 6.350 0.317 4.121 1.00 0.35 C ATOM 746 O ILE A 47 6.745 -0.799 4.467 1.00 0.38 O ATOM 747 CB ILE A 47 7.555 2.559 4.579 1.00 0.50 C ATOM 748 CG1 ILE A 47 9.051 2.894 4.687 1.00 0.58 C ATOM 749 CG2 ILE A 47 7.002 2.366 5.999 1.00 0.56 C ATOM 750 CD1 ILE A 47 9.687 3.283 3.350 1.00 1.14 C ATOM 0 H ILE A 47 6.831 2.890 2.288 1.00 0.53 H new ATOM 0 HA ILE A 47 8.297 0.855 3.535 1.00 0.43 H new ATOM 0 HB ILE A 47 6.985 3.374 4.132 1.00 0.50 H new ATOM 0 HG12 ILE A 47 9.182 3.713 5.395 1.00 0.58 H new ATOM 0 HG13 ILE A 47 9.580 2.033 5.095 1.00 0.58 H new ATOM 0 HG21 ILE A 47 7.206 3.257 6.593 1.00 0.56 H new ATOM 0 HG22 ILE A 47 5.926 2.201 5.951 1.00 0.56 H new ATOM 0 HG23 ILE A 47 7.481 1.503 6.462 1.00 0.56 H new ATOM 0 HD11 ILE A 47 10.743 3.506 3.501 1.00 1.14 H new ATOM 0 HD12 ILE A 47 9.588 2.457 2.646 1.00 1.14 H new ATOM 0 HD13 ILE A 47 9.184 4.163 2.950 1.00 1.14 H new ATOM 762 N TRP A 48 5.059 0.649 4.132 1.00 0.37 N ATOM 763 CA TRP A 48 4.035 -0.291 4.551 1.00 0.33 C ATOM 764 C TRP A 48 4.130 -1.561 3.706 1.00 0.29 C ATOM 765 O TRP A 48 4.124 -2.658 4.250 1.00 0.36 O ATOM 766 CB TRP A 48 2.649 0.355 4.470 1.00 0.44 C ATOM 767 CG TRP A 48 1.564 -0.463 5.097 1.00 0.41 C ATOM 768 CD1 TRP A 48 1.046 -0.260 6.329 1.00 0.48 C ATOM 769 CD2 TRP A 48 0.865 -1.629 4.560 1.00 0.33 C ATOM 770 NE1 TRP A 48 0.126 -1.245 6.608 1.00 0.49 N ATOM 771 CE2 TRP A 48 -0.005 -2.138 5.570 1.00 0.39 C ATOM 772 CE3 TRP A 48 0.858 -2.299 3.317 1.00 0.32 C ATOM 773 CZ2 TRP A 48 -0.789 -3.285 5.381 1.00 0.39 C ATOM 774 CZ3 TRP A 48 -0.049 -3.345 3.074 1.00 0.33 C ATOM 775 CH2 TRP A 48 -0.857 -3.840 4.105 1.00 0.27 C ATOM 0 H TRP A 48 4.704 1.564 3.854 1.00 0.37 H new ATOM 0 HA TRP A 48 4.195 -0.569 5.593 1.00 0.33 H new ATOM 0 HB2 TRP A 48 2.684 1.330 4.957 1.00 0.44 H new ATOM 0 HB3 TRP A 48 2.401 0.530 3.423 1.00 0.44 H new ATOM 0 HD1 TRP A 48 1.313 0.550 6.992 1.00 0.48 H new ATOM 0 HE1 TRP A 48 -0.397 -1.306 7.482 1.00 0.49 H new ATOM 0 HE3 TRP A 48 1.555 -2.005 2.546 1.00 0.32 H new ATOM 0 HZ2 TRP A 48 -1.328 -3.728 6.206 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -0.123 -3.770 2.084 1.00 0.33 H new ATOM 0 HH2 TRP A 48 -1.537 -4.656 3.910 1.00 0.27 H new ATOM 786 N PHE A 49 4.258 -1.422 2.385 1.00 0.39 N ATOM 787 CA PHE A 49 4.429 -2.548 1.478 1.00 0.59 C ATOM 788 C PHE A 49 5.652 -3.389 1.852 1.00 0.68 C ATOM 789 O PHE A 49 5.532 -4.609 1.942 1.00 0.81 O ATOM 790 CB PHE A 49 4.477 -2.086 0.010 1.00 0.79 C ATOM 791 CG PHE A 49 3.171 -2.320 -0.727 1.00 0.80 C ATOM 792 CD1 PHE A 49 2.002 -1.670 -0.288 1.00 0.69 C ATOM 793 CD2 PHE A 49 3.074 -3.357 -1.675 1.00 1.18 C ATOM 794 CE1 PHE A 49 0.740 -2.156 -0.673 1.00 0.69 C ATOM 795 CE2 PHE A 49 1.811 -3.847 -2.051 1.00 1.03 C ATOM 796 CZ PHE A 49 0.646 -3.273 -1.518 1.00 0.64 C ATOM 0 H PHE A 49 4.245 -0.516 1.916 1.00 0.39 H new ATOM 0 HA PHE A 49 3.555 -3.191 1.584 1.00 0.59 H new ATOM 0 HB2 PHE A 49 4.722 -1.024 -0.023 1.00 0.79 H new ATOM 0 HB3 PHE A 49 5.279 -2.614 -0.506 1.00 0.79 H new ATOM 0 HD1 PHE A 49 2.075 -0.798 0.345 1.00 0.69 H new ATOM 0 HD2 PHE A 49 3.968 -3.775 -2.112 1.00 1.18 H new ATOM 0 HE1 PHE A 49 -0.157 -1.670 -0.319 1.00 0.69 H new ATOM 0 HE2 PHE A 49 1.737 -4.666 -2.751 1.00 1.03 H new ATOM 0 HZ PHE A 49 -0.321 -3.690 -1.758 1.00 0.64 H new ATOM 806 N GLN A 50 6.817 -2.767 2.037 1.00 0.73 N ATOM 807 CA GLN A 50 8.044 -3.454 2.424 1.00 0.94 C ATOM 808 C GLN A 50 7.775 -4.317 3.653 1.00 1.03 C ATOM 809 O GLN A 50 7.992 -5.526 3.645 1.00 1.31 O ATOM 810 CB GLN A 50 9.125 -2.409 2.733 1.00 0.85 C ATOM 811 CG GLN A 50 10.471 -3.018 3.143 1.00 0.94 C ATOM 812 CD GLN A 50 11.408 -1.934 3.665 1.00 2.37 C ATOM 813 OE1 GLN A 50 12.366 -1.558 2.999 1.00 3.58 O ATOM 814 NE2 GLN A 50 11.131 -1.410 4.856 1.00 3.23 N ATOM 0 H GLN A 50 6.934 -1.760 1.920 1.00 0.73 H new ATOM 0 HA GLN A 50 8.387 -4.096 1.612 1.00 0.94 H new ATOM 0 HB2 GLN A 50 9.273 -1.781 1.854 1.00 0.85 H new ATOM 0 HB3 GLN A 50 8.771 -1.759 3.533 1.00 0.85 H new ATOM 0 HG2 GLN A 50 10.316 -3.775 3.912 1.00 0.94 H new ATOM 0 HG3 GLN A 50 10.925 -3.520 2.289 1.00 0.94 H new ATOM 0 HE21 GLN A 50 10.326 -1.745 5.386 1.00 3.23 H new ATOM 0 HE22 GLN A 50 11.723 -0.673 5.239 1.00 3.23 H new ATOM 823 N ASN A 51 7.310 -3.664 4.716 1.00 0.89 N ATOM 824 CA ASN A 51 7.120 -4.291 6.013 1.00 1.10 C ATOM 825 C ASN A 51 6.037 -5.369 5.947 1.00 1.13 C ATOM 826 O ASN A 51 6.182 -6.453 6.521 1.00 1.36 O ATOM 827 CB ASN A 51 6.844 -3.225 7.088 1.00 1.14 C ATOM 828 CG ASN A 51 7.802 -2.029 7.043 1.00 1.29 C ATOM 829 OD1 ASN A 51 8.888 -2.096 6.470 1.00 3.00 O ATOM 830 ND2 ASN A 51 7.423 -0.918 7.666 1.00 0.88 N ATOM 0 H ASN A 51 7.054 -2.677 4.696 1.00 0.89 H new ATOM 0 HA ASN A 51 8.039 -4.801 6.301 1.00 1.10 H new ATOM 0 HB2 ASN A 51 5.822 -2.863 6.972 1.00 1.14 H new ATOM 0 HB3 ASN A 51 6.907 -3.691 8.071 1.00 1.14 H new ATOM 0 HD21 ASN A 51 8.036 -0.103 7.674 1.00 0.88 H new ATOM 0 HD22 ASN A 51 6.519 -0.880 8.136 1.00 0.88 H new ATOM 837 N ARG A 52 4.959 -5.082 5.212 1.00 0.98 N ATOM 838 CA ARG A 52 3.894 -6.020 4.911 1.00 1.09 C ATOM 839 C ARG A 52 4.424 -7.095 3.965 1.00 1.61 C ATOM 840 O ARG A 52 4.180 -7.073 2.761 1.00 3.56 O ATOM 841 CB ARG A 52 2.684 -5.293 4.312 1.00 0.70 C ATOM 842 CG ARG A 52 1.522 -6.263 4.085 1.00 0.89 C ATOM 843 CD ARG A 52 0.786 -6.675 5.361 1.00 0.78 C ATOM 844 NE ARG A 52 -0.157 -7.730 4.992 1.00 1.29 N ATOM 845 CZ ARG A 52 -1.347 -8.005 5.543 1.00 1.57 C ATOM 846 NH1 ARG A 52 -1.783 -7.341 6.613 1.00 1.71 N ATOM 847 NH2 ARG A 52 -2.130 -8.942 5.008 1.00 2.48 N ATOM 0 H ARG A 52 4.806 -4.161 4.802 1.00 0.98 H new ATOM 0 HA ARG A 52 3.559 -6.498 5.832 1.00 1.09 H new ATOM 0 HB2 ARG A 52 2.369 -4.492 4.980 1.00 0.70 H new ATOM 0 HB3 ARG A 52 2.965 -4.828 3.367 1.00 0.70 H new ATOM 0 HG2 ARG A 52 0.809 -5.803 3.401 1.00 0.89 H new ATOM 0 HG3 ARG A 52 1.903 -7.159 3.594 1.00 0.89 H new ATOM 0 HD2 ARG A 52 1.489 -7.033 6.113 1.00 0.78 H new ATOM 0 HD3 ARG A 52 0.261 -5.824 5.795 1.00 0.78 H new ATOM 0 HE ARG A 52 0.127 -8.332 4.219 1.00 1.29 H new ATOM 0 HH11 ARG A 52 -1.208 -6.608 7.028 1.00 1.71 H new ATOM 0 HH12 ARG A 52 -2.692 -7.566 7.017 1.00 1.71 H new ATOM 0 HH21 ARG A 52 -1.823 -9.450 4.179 1.00 2.48 H new ATOM 0 HH22 ARG A 52 -3.036 -9.151 5.428 1.00 2.48 H new ATOM 861 N ARG A 53 5.148 -8.034 4.557 1.00 0.89 N ATOM 862 CA ARG A 53 5.700 -9.247 3.997 1.00 0.88 C ATOM 863 C ARG A 53 6.349 -9.986 5.156 1.00 0.99 C ATOM 864 O ARG A 53 6.089 -11.164 5.388 1.00 1.07 O ATOM 865 CB ARG A 53 6.760 -8.907 2.945 1.00 0.96 C ATOM 866 CG ARG A 53 6.192 -9.111 1.546 1.00 0.96 C ATOM 867 CD ARG A 53 6.823 -8.119 0.566 1.00 1.29 C ATOM 868 NE ARG A 53 6.010 -6.893 0.531 1.00 1.83 N ATOM 869 CZ ARG A 53 4.931 -6.703 -0.241 1.00 2.26 C ATOM 870 NH1 ARG A 53 4.713 -7.464 -1.312 1.00 2.54 N ATOM 871 NH2 ARG A 53 4.057 -5.750 0.078 1.00 3.80 N ATOM 0 H ARG A 53 5.385 -7.950 5.546 1.00 0.89 H new ATOM 0 HA ARG A 53 4.930 -9.848 3.513 1.00 0.88 H new ATOM 0 HB2 ARG A 53 7.086 -7.874 3.067 1.00 0.96 H new ATOM 0 HB3 ARG A 53 7.638 -9.537 3.085 1.00 0.96 H new ATOM 0 HG2 ARG A 53 6.383 -10.132 1.214 1.00 0.96 H new ATOM 0 HG3 ARG A 53 5.110 -8.978 1.562 1.00 0.96 H new ATOM 0 HD2 ARG A 53 7.843 -7.885 0.872 1.00 1.29 H new ATOM 0 HD3 ARG A 53 6.882 -8.560 -0.429 1.00 1.29 H new ATOM 0 HE ARG A 53 6.290 -6.127 1.143 1.00 1.83 H new ATOM 0 HH11 ARG A 53 5.372 -8.204 -1.555 1.00 2.54 H new ATOM 0 HH12 ARG A 53 3.887 -7.307 -1.890 1.00 2.54 H new ATOM 0 HH21 ARG A 53 4.212 -5.172 0.904 1.00 3.80 H new ATOM 0 HH22 ARG A 53 3.233 -5.598 -0.504 1.00 3.80 H new ATOM 885 N MET A 54 7.173 -9.255 5.909 1.00 1.05 N ATOM 886 CA MET A 54 7.874 -9.791 7.053 1.00 1.14 C ATOM 887 C MET A 54 6.854 -10.290 8.074 1.00 1.07 C ATOM 888 O MET A 54 6.826 -11.467 8.427 1.00 1.33 O ATOM 889 CB MET A 54 8.776 -8.690 7.632 1.00 1.20 C ATOM 890 CG MET A 54 9.883 -9.282 8.510 1.00 1.46 C ATOM 891 SD MET A 54 10.820 -8.089 9.501 1.00 2.16 S ATOM 892 CE MET A 54 11.552 -7.048 8.218 1.00 2.30 C ATOM 0 H MET A 54 7.367 -8.269 5.732 1.00 1.05 H new ATOM 0 HA MET A 54 8.503 -10.636 6.771 1.00 1.14 H new ATOM 0 HB2 MET A 54 9.221 -8.117 6.819 1.00 1.20 H new ATOM 0 HB3 MET A 54 8.175 -7.996 8.219 1.00 1.20 H new ATOM 0 HG2 MET A 54 9.436 -10.014 9.183 1.00 1.46 H new ATOM 0 HG3 MET A 54 10.580 -9.822 7.869 1.00 1.46 H new ATOM 0 HE1 MET A 54 12.171 -6.280 8.682 1.00 2.30 H new ATOM 0 HE2 MET A 54 12.167 -7.661 7.559 1.00 2.30 H new ATOM 0 HE3 MET A 54 10.760 -6.574 7.638 1.00 2.30 H new ATOM 902 N LYS A 55 5.991 -9.380 8.538 1.00 0.87 N ATOM 903 CA LYS A 55 4.990 -9.727 9.536 1.00 0.86 C ATOM 904 C LYS A 55 3.954 -10.694 8.965 1.00 0.88 C ATOM 905 O LYS A 55 3.412 -11.520 9.687 1.00 1.19 O ATOM 906 CB LYS A 55 4.336 -8.434 10.054 1.00 0.88 C ATOM 907 CG LYS A 55 3.344 -8.643 11.210 1.00 1.70 C ATOM 908 CD LYS A 55 3.908 -9.298 12.480 1.00 3.13 C ATOM 909 CE LYS A 55 5.002 -8.497 13.199 1.00 4.46 C ATOM 910 NZ LYS A 55 6.341 -8.729 12.622 1.00 5.86 N ATOM 0 H LYS A 55 5.970 -8.406 8.237 1.00 0.87 H new ATOM 0 HA LYS A 55 5.469 -10.241 10.369 1.00 0.86 H new ATOM 0 HB2 LYS A 55 5.120 -7.751 10.383 1.00 0.88 H new ATOM 0 HB3 LYS A 55 3.816 -7.948 9.228 1.00 0.88 H new ATOM 0 HG2 LYS A 55 2.926 -7.674 11.482 1.00 1.70 H new ATOM 0 HG3 LYS A 55 2.519 -9.256 10.846 1.00 1.70 H new ATOM 0 HD2 LYS A 55 3.087 -9.468 13.177 1.00 3.13 H new ATOM 0 HD3 LYS A 55 4.310 -10.276 12.217 1.00 3.13 H new ATOM 0 HE2 LYS A 55 4.765 -7.434 13.145 1.00 4.46 H new ATOM 0 HE3 LYS A 55 5.012 -8.768 14.255 1.00 4.46 H new ATOM 0 HZ1 LYS A 55 7.057 -8.672 13.374 1.00 5.86 H new ATOM 0 HZ2 LYS A 55 6.372 -9.672 12.184 1.00 5.86 H new ATOM 0 HZ3 LYS A 55 6.538 -8.006 11.901 1.00 5.86 H new ATOM 924 N TRP A 56 3.745 -10.660 7.651 1.00 0.71 N ATOM 925 CA TRP A 56 2.861 -11.598 6.993 1.00 0.80 C ATOM 926 C TRP A 56 3.429 -13.010 7.156 1.00 1.03 C ATOM 927 O TRP A 56 2.818 -13.859 7.805 1.00 1.21 O ATOM 928 CB TRP A 56 2.684 -11.164 5.536 1.00 0.70 C ATOM 929 CG TRP A 56 2.133 -12.177 4.589 1.00 0.92 C ATOM 930 CD1 TRP A 56 0.855 -12.602 4.559 1.00 1.11 C ATOM 931 CD2 TRP A 56 2.812 -12.871 3.501 1.00 1.09 C ATOM 932 NE1 TRP A 56 0.692 -13.518 3.541 1.00 1.32 N ATOM 933 CE2 TRP A 56 1.867 -13.713 2.845 1.00 1.33 C ATOM 934 CE3 TRP A 56 4.128 -12.860 2.993 1.00 1.20 C ATOM 935 CZ2 TRP A 56 2.211 -14.508 1.741 1.00 1.60 C ATOM 936 CZ3 TRP A 56 4.485 -13.656 1.888 1.00 1.51 C ATOM 937 CH2 TRP A 56 3.530 -14.475 1.261 1.00 1.68 C ATOM 0 H TRP A 56 4.183 -9.985 7.024 1.00 0.71 H new ATOM 0 HA TRP A 56 1.867 -11.609 7.441 1.00 0.80 H new ATOM 0 HB2 TRP A 56 2.029 -10.293 5.519 1.00 0.70 H new ATOM 0 HB3 TRP A 56 3.654 -10.840 5.159 1.00 0.70 H new ATOM 0 HD1 TRP A 56 0.075 -12.275 5.231 1.00 1.11 H new ATOM 0 HE1 TRP A 56 -0.186 -13.991 3.329 1.00 1.32 H new ATOM 0 HE3 TRP A 56 4.873 -12.232 3.459 1.00 1.20 H new ATOM 0 HZ2 TRP A 56 1.471 -15.136 1.267 1.00 1.60 H new ATOM 0 HZ3 TRP A 56 5.500 -13.637 1.519 1.00 1.51 H new ATOM 0 HH2 TRP A 56 3.811 -15.079 0.411 1.00 1.68 H new ATOM 948 N LYS A 57 4.605 -13.269 6.584 1.00 1.16 N ATOM 949 CA LYS A 57 5.111 -14.629 6.460 1.00 1.53 C ATOM 950 C LYS A 57 5.622 -15.213 7.776 1.00 1.69 C ATOM 951 O LYS A 57 5.869 -16.415 7.853 1.00 2.05 O ATOM 952 CB LYS A 57 6.170 -14.683 5.351 1.00 1.80 C ATOM 953 CG LYS A 57 6.592 -16.110 4.975 1.00 2.20 C ATOM 954 CD LYS A 57 7.114 -16.123 3.530 1.00 2.74 C ATOM 955 CE LYS A 57 7.777 -17.450 3.135 1.00 3.53 C ATOM 956 NZ LYS A 57 9.023 -17.683 3.890 1.00 3.47 N ATOM 0 H LYS A 57 5.222 -12.553 6.201 1.00 1.16 H new ATOM 0 HA LYS A 57 4.273 -15.268 6.183 1.00 1.53 H new ATOM 0 HB2 LYS A 57 5.782 -14.182 4.464 1.00 1.80 H new ATOM 0 HB3 LYS A 57 7.050 -14.125 5.672 1.00 1.80 H new ATOM 0 HG2 LYS A 57 7.366 -16.464 5.656 1.00 2.20 H new ATOM 0 HG3 LYS A 57 5.745 -16.789 5.074 1.00 2.20 H new ATOM 0 HD2 LYS A 57 6.286 -15.922 2.850 1.00 2.74 H new ATOM 0 HD3 LYS A 57 7.833 -15.314 3.404 1.00 2.74 H new ATOM 0 HE2 LYS A 57 7.083 -18.271 3.315 1.00 3.53 H new ATOM 0 HE3 LYS A 57 7.994 -17.445 2.067 1.00 3.53 H new ATOM 0 HZ1 LYS A 57 9.718 -18.154 3.276 1.00 3.47 H new ATOM 0 HZ2 LYS A 57 9.408 -16.773 4.214 1.00 3.47 H new ATOM 0 HZ3 LYS A 57 8.823 -18.287 4.713 1.00 3.47 H new ATOM 970 N LYS A 58 5.681 -14.409 8.836 1.00 1.53 N ATOM 971 CA LYS A 58 5.984 -14.886 10.162 1.00 1.74 C ATOM 972 C LYS A 58 4.731 -15.397 10.881 1.00 1.95 C ATOM 973 O LYS A 58 4.858 -15.966 11.967 1.00 2.20 O ATOM 974 CB LYS A 58 6.639 -13.743 10.952 1.00 1.65 C ATOM 975 CG LYS A 58 7.589 -14.326 11.995 1.00 2.26 C ATOM 976 CD LYS A 58 7.604 -13.564 13.331 1.00 2.84 C ATOM 977 CE LYS A 58 6.817 -14.263 14.453 1.00 4.51 C ATOM 978 NZ LYS A 58 5.393 -14.471 14.122 1.00 5.45 N ATOM 0 H LYS A 58 5.517 -13.403 8.787 1.00 1.53 H new ATOM 0 HA LYS A 58 6.669 -15.731 10.090 1.00 1.74 H new ATOM 0 HB2 LYS A 58 7.184 -13.084 10.276 1.00 1.65 H new ATOM 0 HB3 LYS A 58 5.874 -13.138 11.439 1.00 1.65 H new ATOM 0 HG2 LYS A 58 7.311 -15.363 12.184 1.00 2.26 H new ATOM 0 HG3 LYS A 58 8.599 -14.337 11.585 1.00 2.26 H new ATOM 0 HD2 LYS A 58 8.637 -13.433 13.652 1.00 2.84 H new ATOM 0 HD3 LYS A 58 7.190 -12.568 13.175 1.00 2.84 H new ATOM 0 HE2 LYS A 58 7.279 -15.227 14.665 1.00 4.51 H new ATOM 0 HE3 LYS A 58 6.889 -13.668 15.363 1.00 4.51 H new ATOM 0 HZ1 LYS A 58 4.854 -14.638 14.996 1.00 5.45 H new ATOM 0 HZ2 LYS A 58 5.021 -13.627 13.642 1.00 5.45 H new ATOM 0 HZ3 LYS A 58 5.299 -15.295 13.495 1.00 5.45 H new ATOM 992 N GLU A 59 3.548 -15.226 10.287 1.00 1.91 N ATOM 993 CA GLU A 59 2.284 -15.689 10.852 1.00 2.15 C ATOM 994 C GLU A 59 1.504 -16.550 9.854 1.00 2.10 C ATOM 995 O GLU A 59 0.849 -17.511 10.254 1.00 2.56 O ATOM 996 CB GLU A 59 1.448 -14.495 11.345 1.00 2.14 C ATOM 997 CG GLU A 59 1.899 -13.968 12.721 1.00 3.09 C ATOM 998 CD GLU A 59 2.685 -12.665 12.659 1.00 3.41 C ATOM 999 OE1 GLU A 59 2.044 -11.621 12.426 1.00 3.46 O ATOM 1000 OE2 GLU A 59 3.909 -12.722 12.926 1.00 4.44 O ATOM 0 H GLU A 59 3.442 -14.755 9.388 1.00 1.91 H new ATOM 0 HA GLU A 59 2.507 -16.323 11.710 1.00 2.15 H new ATOM 0 HB2 GLU A 59 1.512 -13.688 10.615 1.00 2.14 H new ATOM 0 HB3 GLU A 59 0.401 -14.791 11.402 1.00 2.14 H new ATOM 0 HG2 GLU A 59 1.020 -13.820 13.348 1.00 3.09 H new ATOM 0 HG3 GLU A 59 2.512 -14.727 13.206 1.00 3.09 H new ATOM 1007 N ASN A 60 1.560 -16.226 8.560 1.00 1.78 N ATOM 1008 CA ASN A 60 0.741 -16.825 7.522 1.00 1.96 C ATOM 1009 C ASN A 60 1.293 -18.193 7.119 1.00 2.61 C ATOM 1010 O ASN A 60 1.669 -18.423 5.972 1.00 2.96 O ATOM 1011 CB ASN A 60 0.648 -15.854 6.338 1.00 1.97 C ATOM 1012 CG ASN A 60 -0.323 -14.708 6.610 1.00 2.29 C ATOM 1013 OD1 ASN A 60 -1.399 -14.648 6.027 1.00 3.01 O ATOM 1014 ND2 ASN A 60 0.048 -13.764 7.471 1.00 2.41 N ATOM 0 H ASN A 60 2.199 -15.516 8.202 1.00 1.78 H new ATOM 0 HA ASN A 60 -0.268 -17.001 7.896 1.00 1.96 H new ATOM 0 HB2 ASN A 60 1.637 -15.448 6.124 1.00 1.97 H new ATOM 0 HB3 ASN A 60 0.327 -16.397 5.449 1.00 1.97 H new ATOM 0 HD21 ASN A 60 -0.568 -12.972 7.656 1.00 2.41 H new ATOM 0 HD22 ASN A 60 0.948 -13.832 7.946 1.00 2.41 H new ATOM 1021 N LYS A 61 1.307 -19.122 8.073 1.00 3.22 N ATOM 1022 CA LYS A 61 1.413 -20.538 7.802 1.00 4.26 C ATOM 1023 C LYS A 61 0.134 -20.967 7.091 1.00 5.00 C ATOM 1024 O LYS A 61 -0.979 -20.687 7.532 1.00 4.99 O ATOM 1025 CB LYS A 61 1.561 -21.296 9.119 1.00 5.19 C ATOM 1026 CG LYS A 61 2.795 -20.887 9.941 1.00 5.14 C ATOM 1027 CD LYS A 61 4.080 -21.367 9.254 1.00 5.99 C ATOM 1028 CE LYS A 61 5.311 -21.236 10.162 1.00 6.31 C ATOM 1029 NZ LYS A 61 6.510 -21.846 9.548 1.00 7.43 N ATOM 0 H LYS A 61 1.244 -18.900 9.067 1.00 3.22 H new ATOM 0 HA LYS A 61 2.282 -20.753 7.180 1.00 4.26 H new ATOM 0 HB2 LYS A 61 0.667 -21.136 9.721 1.00 5.19 H new ATOM 0 HB3 LYS A 61 1.616 -22.364 8.908 1.00 5.19 H new ATOM 0 HG2 LYS A 61 2.820 -19.803 10.056 1.00 5.14 H new ATOM 0 HG3 LYS A 61 2.730 -21.313 10.942 1.00 5.14 H new ATOM 0 HD2 LYS A 61 3.962 -22.408 8.954 1.00 5.99 H new ATOM 0 HD3 LYS A 61 4.240 -20.789 8.344 1.00 5.99 H new ATOM 0 HE2 LYS A 61 5.502 -20.183 10.366 1.00 6.31 H new ATOM 0 HE3 LYS A 61 5.109 -21.715 11.120 1.00 6.31 H new ATOM 0 HZ1 LYS A 61 7.234 -22.000 10.279 1.00 7.43 H new ATOM 0 HZ2 LYS A 61 6.254 -22.757 9.117 1.00 7.43 H new ATOM 0 HZ3 LYS A 61 6.887 -21.210 8.816 1.00 7.43 H new ATOM 1043 N THR A 62 0.317 -21.648 5.971 1.00 5.98 N ATOM 1044 CA THR A 62 -0.740 -22.267 5.184 1.00 7.10 C ATOM 1045 C THR A 62 -0.103 -23.422 4.417 1.00 7.19 C ATOM 1046 O THR A 62 -0.562 -24.556 4.499 1.00 7.67 O ATOM 1047 CB THR A 62 -1.415 -21.238 4.259 1.00 8.20 C ATOM 1048 OG1 THR A 62 -1.781 -20.077 4.978 1.00 8.65 O ATOM 1049 CG2 THR A 62 -2.679 -21.822 3.622 1.00 9.62 C ATOM 0 H THR A 62 1.243 -21.791 5.568 1.00 5.98 H new ATOM 0 HA THR A 62 -1.538 -22.648 5.821 1.00 7.10 H new ATOM 0 HB THR A 62 -0.693 -20.982 3.484 1.00 8.20 H new ATOM 0 HG1 THR A 62 -2.207 -19.437 4.370 1.00 8.65 H new ATOM 0 HG21 THR A 62 -3.138 -21.076 2.973 1.00 9.62 H new ATOM 0 HG22 THR A 62 -2.417 -22.702 3.035 1.00 9.62 H new ATOM 0 HG23 THR A 62 -3.383 -22.105 4.404 1.00 9.62 H new ATOM 1057 N LYS A 63 1.024 -23.139 3.753 1.00 7.12 N ATOM 1058 CA LYS A 63 1.908 -24.139 3.169 1.00 7.63 C ATOM 1059 C LYS A 63 3.141 -24.291 4.074 1.00 7.03 C ATOM 1060 O LYS A 63 4.244 -24.593 3.621 1.00 7.78 O ATOM 1061 CB LYS A 63 2.162 -23.694 1.721 1.00 8.71 C ATOM 1062 CG LYS A 63 2.755 -24.717 0.735 1.00 9.86 C ATOM 1063 CD LYS A 63 4.288 -24.787 0.595 1.00 11.16 C ATOM 1064 CE LYS A 63 4.977 -23.416 0.475 1.00 11.60 C ATOM 1065 NZ LYS A 63 5.302 -22.841 1.795 1.00 10.94 N ATOM 0 H LYS A 63 1.349 -22.183 3.607 1.00 7.12 H new ATOM 0 HA LYS A 63 1.494 -25.146 3.115 1.00 7.63 H new ATOM 0 HB2 LYS A 63 1.214 -23.346 1.309 1.00 8.71 H new ATOM 0 HB3 LYS A 63 2.831 -22.834 1.750 1.00 8.71 H new ATOM 0 HG2 LYS A 63 2.402 -25.706 1.028 1.00 9.86 H new ATOM 0 HG3 LYS A 63 2.339 -24.509 -0.251 1.00 9.86 H new ATOM 0 HD2 LYS A 63 4.696 -25.311 1.459 1.00 11.16 H new ATOM 0 HD3 LYS A 63 4.534 -25.382 -0.284 1.00 11.16 H new ATOM 0 HE2 LYS A 63 5.891 -23.520 -0.110 1.00 11.60 H new ATOM 0 HE3 LYS A 63 4.327 -22.730 -0.069 1.00 11.60 H new ATOM 0 HZ1 LYS A 63 5.525 -21.831 1.688 1.00 10.94 H new ATOM 0 HZ2 LYS A 63 4.487 -22.950 2.432 1.00 10.94 H new ATOM 0 HZ3 LYS A 63 6.124 -23.336 2.197 1.00 10.94 H new ATOM 1079 N GLY A 64 2.953 -24.054 5.377 1.00 6.15 N ATOM 1080 CA GLY A 64 3.886 -24.439 6.429 1.00 6.36 C ATOM 1081 C GLY A 64 5.063 -23.481 6.616 1.00 6.62 C ATOM 1082 O GLY A 64 5.717 -23.530 7.660 1.00 7.24 O ATOM 0 H GLY A 64 2.125 -23.577 5.733 1.00 6.15 H new ATOM 0 HA2 GLY A 64 3.342 -24.513 7.370 1.00 6.36 H new ATOM 0 HA3 GLY A 64 4.275 -25.433 6.206 1.00 6.36 H new ATOM 1086 N GLU A 65 5.327 -22.617 5.629 1.00 6.87 N ATOM 1087 CA GLU A 65 6.489 -21.742 5.480 1.00 7.90 C ATOM 1088 C GLU A 65 7.673 -22.128 6.377 1.00 8.59 C ATOM 1089 O GLU A 65 7.923 -21.450 7.379 1.00 8.64 O ATOM 1090 CB GLU A 65 6.076 -20.267 5.643 1.00 8.22 C ATOM 1091 CG GLU A 65 4.784 -19.898 4.888 1.00 8.54 C ATOM 1092 CD GLU A 65 4.643 -20.638 3.573 1.00 9.51 C ATOM 1093 OE1 GLU A 65 5.451 -20.399 2.648 1.00 10.44 O ATOM 1094 OE2 GLU A 65 3.850 -21.607 3.549 1.00 9.82 O ATOM 0 H GLU A 65 4.677 -22.505 4.851 1.00 6.87 H new ATOM 0 HA GLU A 65 6.862 -21.880 4.465 1.00 7.90 H new ATOM 0 HB2 GLU A 65 5.941 -20.052 6.703 1.00 8.22 H new ATOM 0 HB3 GLU A 65 6.887 -19.631 5.289 1.00 8.22 H new ATOM 0 HG2 GLU A 65 3.923 -20.120 5.519 1.00 8.54 H new ATOM 0 HG3 GLU A 65 4.772 -18.825 4.699 1.00 8.54 H new ATOM 1101 N PRO A 66 8.385 -23.227 6.075 1.00 9.62 N ATOM 1102 CA PRO A 66 9.509 -23.691 6.875 1.00 10.81 C ATOM 1103 C PRO A 66 10.761 -22.894 6.492 1.00 11.56 C ATOM 1104 O PRO A 66 11.779 -23.469 6.115 1.00 12.69 O ATOM 1105 CB PRO A 66 9.621 -25.181 6.535 1.00 11.98 C ATOM 1106 CG PRO A 66 9.218 -25.217 5.060 1.00 11.86 C ATOM 1107 CD PRO A 66 8.126 -24.148 4.976 1.00 10.21 C ATOM 0 HA PRO A 66 9.385 -23.551 7.949 1.00 10.81 H new ATOM 0 HB2 PRO A 66 10.633 -25.557 6.688 1.00 11.98 H new ATOM 0 HB3 PRO A 66 8.958 -25.789 7.151 1.00 11.98 H new ATOM 0 HG2 PRO A 66 10.059 -24.987 4.406 1.00 11.86 H new ATOM 0 HG3 PRO A 66 8.845 -26.199 4.767 1.00 11.86 H new ATOM 0 HD2 PRO A 66 8.158 -23.631 4.017 1.00 10.21 H new ATOM 0 HD3 PRO A 66 7.135 -24.594 5.065 1.00 10.21 H new ATOM 1115 N GLY A 67 10.666 -21.564 6.552 1.00 11.20 N ATOM 1116 CA GLY A 67 11.599 -20.650 5.929 1.00 12.00 C ATOM 1117 C GLY A 67 10.751 -19.580 5.256 1.00 11.34 C ATOM 1118 O GLY A 67 9.685 -19.253 5.788 1.00 10.82 O ATOM 0 H GLY A 67 9.914 -21.090 7.051 1.00 11.20 H new ATOM 0 HA2 GLY A 67 12.267 -20.210 6.669 1.00 12.00 H new ATOM 0 HA3 GLY A 67 12.225 -21.167 5.201 1.00 12.00 H new TER 1122 GLY A 67