USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=19 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= -0.348 K(o=0.3,f=-3) USER MOD Set 1.2: A 51 ASN : amide:sc= 0.646 K(o=0.3,f=-2.8!) USER MOD Set 1.3: A 54 MET CE :methyl 174:sc= 0 (180deg=-0.0451) USER MOD Set 2.1: A 9 THR OG1 : rot -77:sc= -0.0725 USER MOD Set 2.2: A 12 GLN : amide:sc= 1.36 K(o=1.3,f=-3!) USER MOD Set 3.1: A 8 TYR OH : rot -79:sc= 1.24 USER MOD Set 3.2: A 44 GLN : amide:sc= 0.415 X(o=1.7,f=2) USER MOD Single : A 6 MET CE :methyl -173:sc= -0.201 (180deg=-0.249) USER MOD Single : A 7 THR OG1 : rot -34:sc= 0.204 USER MOD Single : A 11 TYR OH : rot -15:sc= 1.29 USER MOD Single : A 13 THR OG1 : rot 78:sc= 1.07 USER MOD Single : A 18 LYS NZ :NH3+ -128:sc= 0.684 (180deg=-1.33!) USER MOD Single : A 21 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.953 K(o=0.95,f=-3.2!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -42:sc= 0.626 USER MOD Single : A 36 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.48) USER MOD Single : A 39 SER OG : rot -19:sc= 1.15 USER MOD Single : A 41 THR OG1 : rot 170:sc= 0.757 USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= -0.397 (180deg=-0.437) USER MOD Single : A 55 LYS NZ :NH3+ -179:sc= 1.2 (180deg=1.15) USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= 0.719! (180deg=-0.521!) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 1.03 (180deg=0.671) USER MOD Single : A 60 ASN : amide:sc= 0.609 K(o=0.61,f=-0.006) USER MOD Single : A 61 LYS NZ :NH3+ 138:sc= 1.26 (180deg=1.07) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 63 LYS NZ :NH3+ -141:sc= 0.946 (180deg=-0.781!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 2.116 11.337 13.254 1.00 4.35 N ATOM 2 CA MET A 6 1.841 10.783 11.917 1.00 3.31 C ATOM 3 C MET A 6 1.484 9.314 12.094 1.00 2.84 C ATOM 4 O MET A 6 2.057 8.681 12.980 1.00 3.61 O ATOM 5 CB MET A 6 3.034 10.968 10.965 1.00 3.49 C ATOM 6 CG MET A 6 4.352 10.361 11.476 1.00 4.56 C ATOM 7 SD MET A 6 5.790 10.604 10.401 1.00 6.00 S ATOM 8 CE MET A 6 5.351 9.581 8.981 1.00 6.96 C ATOM 0 HA MET A 6 1.011 11.318 11.456 1.00 3.31 H new ATOM 0 HB2 MET A 6 2.789 10.518 10.003 1.00 3.49 H new ATOM 0 HB3 MET A 6 3.182 12.034 10.790 1.00 3.49 H new ATOM 0 HG2 MET A 6 4.574 10.789 12.453 1.00 4.56 H new ATOM 0 HG3 MET A 6 4.206 9.291 11.623 1.00 4.56 H new ATOM 0 HE1 MET A 6 6.195 9.533 8.293 1.00 6.96 H new ATOM 0 HE2 MET A 6 5.101 8.576 9.320 1.00 6.96 H new ATOM 0 HE3 MET A 6 4.491 10.016 8.471 1.00 6.96 H new ATOM 18 N THR A 7 0.524 8.795 11.327 1.00 2.20 N ATOM 19 CA THR A 7 0.025 7.431 11.435 1.00 1.78 C ATOM 20 C THR A 7 -0.739 7.147 10.139 1.00 1.51 C ATOM 21 O THR A 7 -1.125 8.091 9.450 1.00 2.03 O ATOM 22 CB THR A 7 -0.900 7.287 12.666 1.00 2.22 C ATOM 23 OG1 THR A 7 -0.403 8.011 13.775 1.00 3.43 O ATOM 24 CG2 THR A 7 -1.052 5.828 13.112 1.00 2.34 C ATOM 0 H THR A 7 0.061 9.331 10.593 1.00 2.20 H new ATOM 0 HA THR A 7 0.840 6.720 11.570 1.00 1.78 H new ATOM 0 HB THR A 7 -1.866 7.681 12.349 1.00 2.22 H new ATOM 0 HG1 THR A 7 0.577 7.993 13.765 1.00 3.43 H new ATOM 0 HG21 THR A 7 -1.711 5.779 13.979 1.00 2.34 H new ATOM 0 HG22 THR A 7 -1.479 5.242 12.299 1.00 2.34 H new ATOM 0 HG23 THR A 7 -0.074 5.424 13.376 1.00 2.34 H new ATOM 32 N TYR A 8 -0.963 5.873 9.814 1.00 0.95 N ATOM 33 CA TYR A 8 -1.927 5.492 8.792 1.00 0.77 C ATOM 34 C TYR A 8 -3.324 5.682 9.378 1.00 0.68 C ATOM 35 O TYR A 8 -3.491 5.616 10.596 1.00 0.96 O ATOM 36 CB TYR A 8 -1.745 4.016 8.413 1.00 0.88 C ATOM 37 CG TYR A 8 -0.384 3.662 7.850 1.00 0.90 C ATOM 38 CD1 TYR A 8 0.721 3.507 8.709 1.00 1.19 C ATOM 39 CD2 TYR A 8 -0.224 3.470 6.466 1.00 1.63 C ATOM 40 CE1 TYR A 8 1.999 3.278 8.177 1.00 1.22 C ATOM 41 CE2 TYR A 8 1.044 3.178 5.941 1.00 1.91 C ATOM 42 CZ TYR A 8 2.161 3.120 6.793 1.00 1.34 C ATOM 43 OH TYR A 8 3.408 2.973 6.271 1.00 1.69 O ATOM 0 H TYR A 8 -0.484 5.085 10.250 1.00 0.95 H new ATOM 0 HA TYR A 8 -1.785 6.103 7.901 1.00 0.77 H new ATOM 0 HB2 TYR A 8 -1.926 3.405 9.297 1.00 0.88 H new ATOM 0 HB3 TYR A 8 -2.506 3.749 7.679 1.00 0.88 H new ATOM 0 HD1 TYR A 8 0.585 3.564 9.779 1.00 1.19 H new ATOM 0 HD2 TYR A 8 -1.077 3.547 5.808 1.00 1.63 H new ATOM 0 HE1 TYR A 8 2.856 3.224 8.832 1.00 1.22 H new ATOM 0 HE2 TYR A 8 1.162 2.998 4.883 1.00 1.91 H new ATOM 0 HH TYR A 8 3.845 3.848 6.217 1.00 1.69 H new ATOM 53 N THR A 9 -4.334 5.866 8.528 1.00 0.52 N ATOM 54 CA THR A 9 -5.712 5.764 8.987 1.00 0.52 C ATOM 55 C THR A 9 -6.134 4.294 8.941 1.00 0.49 C ATOM 56 O THR A 9 -5.560 3.493 8.196 1.00 0.41 O ATOM 57 CB THR A 9 -6.633 6.648 8.140 1.00 0.72 C ATOM 58 OG1 THR A 9 -6.515 6.293 6.784 1.00 2.25 O ATOM 59 CG2 THR A 9 -6.288 8.132 8.302 1.00 1.29 C ATOM 0 H THR A 9 -4.225 6.082 7.537 1.00 0.52 H new ATOM 0 HA THR A 9 -5.791 6.122 10.013 1.00 0.52 H new ATOM 0 HB THR A 9 -7.656 6.492 8.483 1.00 0.72 H new ATOM 0 HG1 THR A 9 -5.686 6.666 6.419 1.00 2.25 H new ATOM 0 HG21 THR A 9 -6.960 8.731 7.688 1.00 1.29 H new ATOM 0 HG22 THR A 9 -6.399 8.419 9.348 1.00 1.29 H new ATOM 0 HG23 THR A 9 -5.259 8.303 7.986 1.00 1.29 H new ATOM 67 N ARG A 10 -7.156 3.939 9.726 1.00 0.67 N ATOM 68 CA ARG A 10 -7.754 2.611 9.689 1.00 0.73 C ATOM 69 C ARG A 10 -8.163 2.281 8.254 1.00 0.67 C ATOM 70 O ARG A 10 -7.822 1.227 7.725 1.00 0.61 O ATOM 71 CB ARG A 10 -8.936 2.550 10.654 1.00 0.95 C ATOM 72 CG ARG A 10 -9.210 1.105 11.097 1.00 1.28 C ATOM 73 CD ARG A 10 -10.095 0.290 10.141 1.00 1.50 C ATOM 74 NE ARG A 10 -11.388 0.940 9.858 1.00 2.07 N ATOM 75 CZ ARG A 10 -12.479 0.888 10.641 1.00 3.06 C ATOM 76 NH1 ARG A 10 -12.421 0.279 11.830 1.00 3.51 N ATOM 77 NH2 ARG A 10 -13.623 1.448 10.231 1.00 4.39 N ATOM 0 H ARG A 10 -7.588 4.568 10.403 1.00 0.67 H new ATOM 0 HA ARG A 10 -7.032 1.861 10.011 1.00 0.73 H new ATOM 0 HB2 ARG A 10 -8.730 3.169 11.527 1.00 0.95 H new ATOM 0 HB3 ARG A 10 -9.824 2.962 10.174 1.00 0.95 H new ATOM 0 HG2 ARG A 10 -8.257 0.590 11.214 1.00 1.28 H new ATOM 0 HG3 ARG A 10 -9.684 1.125 12.078 1.00 1.28 H new ATOM 0 HD2 ARG A 10 -9.560 0.134 9.204 1.00 1.50 H new ATOM 0 HD3 ARG A 10 -10.276 -0.694 10.573 1.00 1.50 H new ATOM 0 HE ARG A 10 -11.461 1.476 8.993 1.00 2.07 H new ATOM 0 HH11 ARG A 10 -11.548 -0.146 12.143 1.00 3.51 H new ATOM 0 HH12 ARG A 10 -13.249 0.240 12.424 1.00 3.51 H new ATOM 0 HH21 ARG A 10 -13.667 1.914 9.325 1.00 4.39 H new ATOM 0 HH22 ARG A 10 -14.451 1.409 10.825 1.00 4.39 H new ATOM 91 N TYR A 11 -8.876 3.218 7.625 1.00 0.72 N ATOM 92 CA TYR A 11 -9.275 3.127 6.229 1.00 0.71 C ATOM 93 C TYR A 11 -8.084 2.808 5.325 1.00 0.58 C ATOM 94 O TYR A 11 -8.100 1.811 4.606 1.00 0.63 O ATOM 95 CB TYR A 11 -9.932 4.436 5.782 1.00 0.81 C ATOM 96 CG TYR A 11 -10.124 4.500 4.278 1.00 0.84 C ATOM 97 CD1 TYR A 11 -10.842 3.482 3.623 1.00 0.92 C ATOM 98 CD2 TYR A 11 -9.377 5.422 3.520 1.00 0.86 C ATOM 99 CE1 TYR A 11 -10.740 3.334 2.230 1.00 0.99 C ATOM 100 CE2 TYR A 11 -9.282 5.277 2.125 1.00 0.94 C ATOM 101 CZ TYR A 11 -9.934 4.212 1.483 1.00 1.00 C ATOM 102 OH TYR A 11 -9.788 4.039 0.143 1.00 1.13 O ATOM 0 H TYR A 11 -9.194 4.072 8.083 1.00 0.72 H new ATOM 0 HA TYR A 11 -9.993 2.312 6.141 1.00 0.71 H new ATOM 0 HB2 TYR A 11 -10.899 4.541 6.274 1.00 0.81 H new ATOM 0 HB3 TYR A 11 -9.317 5.277 6.104 1.00 0.81 H new ATOM 0 HD1 TYR A 11 -11.472 2.814 4.192 1.00 0.92 H new ATOM 0 HD2 TYR A 11 -8.876 6.243 4.012 1.00 0.86 H new ATOM 0 HE1 TYR A 11 -11.282 2.544 1.731 1.00 0.99 H new ATOM 0 HE2 TYR A 11 -8.707 5.985 1.547 1.00 0.94 H new ATOM 0 HH TYR A 11 -10.099 3.144 -0.107 1.00 1.13 H new ATOM 112 N GLN A 12 -7.058 3.661 5.338 1.00 0.44 N ATOM 113 CA GLN A 12 -5.911 3.473 4.478 1.00 0.32 C ATOM 114 C GLN A 12 -5.297 2.094 4.722 1.00 0.31 C ATOM 115 O GLN A 12 -5.032 1.364 3.773 1.00 0.33 O ATOM 116 CB GLN A 12 -4.930 4.616 4.725 1.00 0.23 C ATOM 117 CG GLN A 12 -5.416 5.906 4.040 1.00 0.32 C ATOM 118 CD GLN A 12 -4.515 7.095 4.365 1.00 0.41 C ATOM 119 OE1 GLN A 12 -4.066 7.216 5.504 1.00 0.67 O ATOM 120 NE2 GLN A 12 -4.270 7.963 3.384 1.00 0.45 N ATOM 0 H GLN A 12 -7.007 4.485 5.937 1.00 0.44 H new ATOM 0 HA GLN A 12 -6.199 3.499 3.427 1.00 0.32 H new ATOM 0 HB2 GLN A 12 -4.823 4.785 5.796 1.00 0.23 H new ATOM 0 HB3 GLN A 12 -3.945 4.345 4.345 1.00 0.23 H new ATOM 0 HG2 GLN A 12 -5.444 5.756 2.961 1.00 0.32 H new ATOM 0 HG3 GLN A 12 -6.435 6.125 4.358 1.00 0.32 H new ATOM 0 HE21 GLN A 12 -4.669 7.812 2.458 1.00 0.45 H new ATOM 0 HE22 GLN A 12 -3.683 8.779 3.559 1.00 0.45 H new ATOM 129 N THR A 13 -5.126 1.710 5.988 1.00 0.31 N ATOM 130 CA THR A 13 -4.642 0.382 6.344 1.00 0.32 C ATOM 131 C THR A 13 -5.519 -0.718 5.726 1.00 0.38 C ATOM 132 O THR A 13 -5.001 -1.663 5.137 1.00 0.35 O ATOM 133 CB THR A 13 -4.538 0.249 7.868 1.00 0.39 C ATOM 134 OG1 THR A 13 -3.809 1.339 8.397 1.00 0.39 O ATOM 135 CG2 THR A 13 -3.809 -1.045 8.247 1.00 0.44 C ATOM 0 H THR A 13 -5.319 2.310 6.790 1.00 0.31 H new ATOM 0 HA THR A 13 -3.643 0.252 5.928 1.00 0.32 H new ATOM 0 HB THR A 13 -5.549 0.234 8.276 1.00 0.39 H new ATOM 0 HG1 THR A 13 -4.386 2.130 8.436 1.00 0.39 H new ATOM 0 HG21 THR A 13 -3.745 -1.122 9.332 1.00 0.44 H new ATOM 0 HG22 THR A 13 -4.359 -1.901 7.854 1.00 0.44 H new ATOM 0 HG23 THR A 13 -2.804 -1.034 7.824 1.00 0.44 H new ATOM 143 N LEU A 14 -6.843 -0.605 5.844 1.00 0.50 N ATOM 144 CA LEU A 14 -7.782 -1.563 5.290 1.00 0.60 C ATOM 145 C LEU A 14 -7.564 -1.678 3.778 1.00 0.57 C ATOM 146 O LEU A 14 -7.462 -2.775 3.228 1.00 0.56 O ATOM 147 CB LEU A 14 -9.206 -1.059 5.588 1.00 0.73 C ATOM 148 CG LEU A 14 -9.928 -1.788 6.726 1.00 1.15 C ATOM 149 CD1 LEU A 14 -11.279 -1.105 6.976 1.00 1.24 C ATOM 150 CD2 LEU A 14 -10.174 -3.273 6.428 1.00 1.58 C ATOM 0 H LEU A 14 -7.292 0.168 6.335 1.00 0.50 H new ATOM 0 HA LEU A 14 -7.636 -2.548 5.734 1.00 0.60 H new ATOM 0 HB2 LEU A 14 -9.156 0.002 5.831 1.00 0.73 H new ATOM 0 HB3 LEU A 14 -9.804 -1.150 4.681 1.00 0.73 H new ATOM 0 HG LEU A 14 -9.283 -1.735 7.603 1.00 1.15 H new ATOM 0 HD11 LEU A 14 -11.801 -1.617 7.785 1.00 1.24 H new ATOM 0 HD12 LEU A 14 -11.115 -0.063 7.252 1.00 1.24 H new ATOM 0 HD13 LEU A 14 -11.882 -1.149 6.069 1.00 1.24 H new ATOM 0 HD21 LEU A 14 -10.688 -3.733 7.272 1.00 1.58 H new ATOM 0 HD22 LEU A 14 -10.789 -3.367 5.533 1.00 1.58 H new ATOM 0 HD23 LEU A 14 -9.220 -3.775 6.267 1.00 1.58 H new ATOM 162 N GLU A 15 -7.497 -0.527 3.109 1.00 0.60 N ATOM 163 CA GLU A 15 -7.430 -0.456 1.663 1.00 0.66 C ATOM 164 C GLU A 15 -6.090 -1.035 1.193 1.00 0.53 C ATOM 165 O GLU A 15 -6.035 -1.792 0.227 1.00 0.56 O ATOM 166 CB GLU A 15 -7.649 1.005 1.260 1.00 0.85 C ATOM 167 CG GLU A 15 -7.925 1.183 -0.238 1.00 1.14 C ATOM 168 CD GLU A 15 -9.321 0.731 -0.621 1.00 1.99 C ATOM 169 OE1 GLU A 15 -10.261 1.517 -0.387 1.00 3.25 O ATOM 170 OE2 GLU A 15 -9.424 -0.390 -1.160 1.00 2.60 O ATOM 0 H GLU A 15 -7.488 0.385 3.566 1.00 0.60 H new ATOM 0 HA GLU A 15 -8.204 -1.052 1.179 1.00 0.66 H new ATOM 0 HB2 GLU A 15 -8.486 1.410 1.828 1.00 0.85 H new ATOM 0 HB3 GLU A 15 -6.768 1.586 1.532 1.00 0.85 H new ATOM 0 HG2 GLU A 15 -7.798 2.232 -0.507 1.00 1.14 H new ATOM 0 HG3 GLU A 15 -7.191 0.616 -0.811 1.00 1.14 H new ATOM 177 N LEU A 16 -5.010 -0.734 1.919 1.00 0.41 N ATOM 178 CA LEU A 16 -3.706 -1.334 1.724 1.00 0.35 C ATOM 179 C LEU A 16 -3.784 -2.850 1.824 1.00 0.33 C ATOM 180 O LEU A 16 -3.235 -3.557 0.978 1.00 0.36 O ATOM 181 CB LEU A 16 -2.752 -0.798 2.795 1.00 0.27 C ATOM 182 CG LEU A 16 -2.247 0.606 2.480 1.00 0.39 C ATOM 183 CD1 LEU A 16 -1.664 1.262 3.729 1.00 0.31 C ATOM 184 CD2 LEU A 16 -1.168 0.517 1.403 1.00 0.54 C ATOM 0 H LEU A 16 -5.028 -0.049 2.674 1.00 0.41 H new ATOM 0 HA LEU A 16 -3.343 -1.077 0.729 1.00 0.35 H new ATOM 0 HB2 LEU A 16 -3.261 -0.789 3.759 1.00 0.27 H new ATOM 0 HB3 LEU A 16 -1.902 -1.473 2.890 1.00 0.27 H new ATOM 0 HG LEU A 16 -3.082 1.212 2.128 1.00 0.39 H new ATOM 0 HD11 LEU A 16 -1.309 2.263 3.483 1.00 0.31 H new ATOM 0 HD12 LEU A 16 -2.434 1.329 4.498 1.00 0.31 H new ATOM 0 HD13 LEU A 16 -0.832 0.663 4.100 1.00 0.31 H new ATOM 0 HD21 LEU A 16 -0.801 1.517 1.172 1.00 0.54 H new ATOM 0 HD22 LEU A 16 -0.343 -0.097 1.764 1.00 0.54 H new ATOM 0 HD23 LEU A 16 -1.588 0.068 0.503 1.00 0.54 H new ATOM 196 N GLU A 17 -4.450 -3.353 2.864 1.00 0.32 N ATOM 197 CA GLU A 17 -4.585 -4.770 3.088 1.00 0.35 C ATOM 198 C GLU A 17 -5.283 -5.369 1.865 1.00 0.36 C ATOM 199 O GLU A 17 -4.777 -6.326 1.282 1.00 0.41 O ATOM 200 CB GLU A 17 -5.345 -4.956 4.407 1.00 0.50 C ATOM 201 CG GLU A 17 -4.534 -5.802 5.391 1.00 0.72 C ATOM 202 CD GLU A 17 -4.611 -7.303 5.177 1.00 1.27 C ATOM 203 OE1 GLU A 17 -4.773 -7.732 4.016 1.00 2.91 O ATOM 204 OE2 GLU A 17 -4.279 -8.031 6.136 1.00 1.80 O ATOM 0 H GLU A 17 -4.908 -2.777 3.570 1.00 0.32 H new ATOM 0 HA GLU A 17 -3.634 -5.292 3.193 1.00 0.35 H new ATOM 0 HB2 GLU A 17 -5.559 -3.983 4.848 1.00 0.50 H new ATOM 0 HB3 GLU A 17 -6.304 -5.436 4.214 1.00 0.50 H new ATOM 0 HG2 GLU A 17 -3.489 -5.497 5.331 1.00 0.72 H new ATOM 0 HG3 GLU A 17 -4.874 -5.578 6.402 1.00 0.72 H new ATOM 211 N LYS A 18 -6.372 -4.744 1.397 1.00 0.40 N ATOM 212 CA LYS A 18 -7.027 -5.175 0.169 1.00 0.44 C ATOM 213 C LYS A 18 -6.053 -5.151 -1.009 1.00 0.46 C ATOM 214 O LYS A 18 -5.973 -6.151 -1.720 1.00 0.54 O ATOM 215 CB LYS A 18 -8.307 -4.368 -0.104 1.00 0.58 C ATOM 216 CG LYS A 18 -9.166 -4.947 -1.251 1.00 0.74 C ATOM 217 CD LYS A 18 -8.714 -4.651 -2.698 1.00 2.00 C ATOM 218 CE LYS A 18 -8.429 -3.170 -2.980 1.00 2.65 C ATOM 219 NZ LYS A 18 -9.590 -2.326 -2.650 1.00 2.94 N ATOM 0 H LYS A 18 -6.811 -3.943 1.852 1.00 0.40 H new ATOM 0 HA LYS A 18 -7.342 -6.210 0.299 1.00 0.44 H new ATOM 0 HB2 LYS A 18 -8.906 -4.332 0.806 1.00 0.58 H new ATOM 0 HB3 LYS A 18 -8.035 -3.341 -0.347 1.00 0.58 H new ATOM 0 HG2 LYS A 18 -9.209 -6.029 -1.126 1.00 0.74 H new ATOM 0 HG3 LYS A 18 -10.183 -4.572 -1.133 1.00 0.74 H new ATOM 0 HD2 LYS A 18 -7.815 -5.229 -2.911 1.00 2.00 H new ATOM 0 HD3 LYS A 18 -9.486 -4.998 -3.385 1.00 2.00 H new ATOM 0 HE2 LYS A 18 -7.566 -2.847 -2.398 1.00 2.65 H new ATOM 0 HE3 LYS A 18 -8.171 -3.041 -4.031 1.00 2.65 H new ATOM 0 HZ1 LYS A 18 -9.823 -1.723 -3.464 1.00 2.94 H new ATOM 0 HZ2 LYS A 18 -10.405 -2.930 -2.422 1.00 2.94 H new ATOM 0 HZ3 LYS A 18 -9.363 -1.728 -1.830 1.00 2.94 H new ATOM 233 N GLU A 19 -5.326 -4.047 -1.238 1.00 0.55 N ATOM 234 CA GLU A 19 -4.404 -3.951 -2.372 1.00 0.75 C ATOM 235 C GLU A 19 -3.469 -5.159 -2.335 1.00 0.78 C ATOM 236 O GLU A 19 -3.404 -5.927 -3.289 1.00 0.96 O ATOM 237 CB GLU A 19 -3.647 -2.611 -2.340 1.00 0.87 C ATOM 238 CG GLU A 19 -2.792 -2.371 -3.598 1.00 1.37 C ATOM 239 CD GLU A 19 -3.612 -1.992 -4.826 1.00 1.47 C ATOM 240 OE1 GLU A 19 -4.184 -0.883 -4.819 1.00 2.74 O ATOM 241 OE2 GLU A 19 -3.612 -2.771 -5.807 1.00 2.09 O ATOM 0 H GLU A 19 -5.361 -3.212 -0.653 1.00 0.55 H new ATOM 0 HA GLU A 19 -4.950 -3.968 -3.315 1.00 0.75 H new ATOM 0 HB2 GLU A 19 -4.365 -1.797 -2.235 1.00 0.87 H new ATOM 0 HB3 GLU A 19 -3.004 -2.585 -1.460 1.00 0.87 H new ATOM 0 HG2 GLU A 19 -2.072 -1.579 -3.393 1.00 1.37 H new ATOM 0 HG3 GLU A 19 -2.220 -3.273 -3.817 1.00 1.37 H new ATOM 248 N PHE A 20 -2.815 -5.361 -1.192 1.00 0.69 N ATOM 249 CA PHE A 20 -1.878 -6.448 -0.960 1.00 0.78 C ATOM 250 C PHE A 20 -2.504 -7.826 -1.188 1.00 0.76 C ATOM 251 O PHE A 20 -1.914 -8.694 -1.835 1.00 0.90 O ATOM 252 CB PHE A 20 -1.376 -6.337 0.473 1.00 0.82 C ATOM 253 CG PHE A 20 -0.123 -7.139 0.748 1.00 0.99 C ATOM 254 CD1 PHE A 20 -0.180 -8.517 1.035 1.00 1.12 C ATOM 255 CD2 PHE A 20 1.119 -6.481 0.750 1.00 1.17 C ATOM 256 CE1 PHE A 20 0.941 -9.154 1.596 1.00 1.15 C ATOM 257 CE2 PHE A 20 2.241 -7.122 1.290 1.00 1.29 C ATOM 258 CZ PHE A 20 2.122 -8.421 1.809 1.00 1.21 C ATOM 0 H PHE A 20 -2.929 -4.753 -0.381 1.00 0.69 H new ATOM 0 HA PHE A 20 -1.060 -6.358 -1.675 1.00 0.78 H new ATOM 0 HB2 PHE A 20 -1.181 -5.289 0.699 1.00 0.82 H new ATOM 0 HB3 PHE A 20 -2.163 -6.668 1.150 1.00 0.82 H new ATOM 0 HD1 PHE A 20 -1.078 -9.080 0.826 1.00 1.12 H new ATOM 0 HD2 PHE A 20 1.208 -5.487 0.337 1.00 1.17 H new ATOM 0 HE1 PHE A 20 0.895 -10.200 1.862 1.00 1.15 H new ATOM 0 HE2 PHE A 20 3.196 -6.618 1.307 1.00 1.29 H new ATOM 0 HZ PHE A 20 2.935 -8.856 2.370 1.00 1.21 H new ATOM 268 N HIS A 21 -3.666 -8.059 -0.574 1.00 0.61 N ATOM 269 CA HIS A 21 -4.385 -9.326 -0.578 1.00 0.62 C ATOM 270 C HIS A 21 -4.820 -9.667 -2.001 1.00 0.64 C ATOM 271 O HIS A 21 -4.721 -10.815 -2.434 1.00 0.84 O ATOM 272 CB HIS A 21 -5.586 -9.209 0.369 1.00 0.85 C ATOM 273 CG HIS A 21 -6.276 -10.511 0.681 1.00 1.53 C ATOM 274 ND1 HIS A 21 -6.337 -11.102 1.924 1.00 2.47 N ATOM 275 CD2 HIS A 21 -7.055 -11.249 -0.169 1.00 3.06 C ATOM 276 CE1 HIS A 21 -7.120 -12.189 1.814 1.00 3.49 C ATOM 277 NE2 HIS A 21 -7.578 -12.322 0.558 1.00 4.03 N ATOM 0 H HIS A 21 -4.148 -7.337 -0.039 1.00 0.61 H new ATOM 0 HA HIS A 21 -3.742 -10.134 -0.229 1.00 0.62 H new ATOM 0 HB2 HIS A 21 -5.251 -8.759 1.304 1.00 0.85 H new ATOM 0 HB3 HIS A 21 -6.312 -8.526 -0.071 1.00 0.85 H new ATOM 0 HD2 HIS A 21 -7.233 -11.040 -1.213 1.00 3.06 H new ATOM 0 HE1 HIS A 21 -7.350 -12.864 2.625 1.00 3.49 H new ATOM 0 HE2 HIS A 21 -8.187 -13.060 0.205 1.00 4.03 H new ATOM 285 N PHE A 22 -5.249 -8.648 -2.743 1.00 0.68 N ATOM 286 CA PHE A 22 -5.553 -8.744 -4.157 1.00 0.72 C ATOM 287 C PHE A 22 -4.273 -9.104 -4.919 1.00 0.69 C ATOM 288 O PHE A 22 -4.169 -10.191 -5.482 1.00 0.92 O ATOM 289 CB PHE A 22 -6.181 -7.415 -4.596 1.00 0.76 C ATOM 290 CG PHE A 22 -6.569 -7.326 -6.053 1.00 0.96 C ATOM 291 CD1 PHE A 22 -7.657 -8.080 -6.531 1.00 2.99 C ATOM 292 CD2 PHE A 22 -5.921 -6.408 -6.901 1.00 2.23 C ATOM 293 CE1 PHE A 22 -8.098 -7.914 -7.854 1.00 3.26 C ATOM 294 CE2 PHE A 22 -6.361 -6.247 -8.226 1.00 2.25 C ATOM 295 CZ PHE A 22 -7.453 -6.995 -8.700 1.00 1.64 C ATOM 0 H PHE A 22 -5.396 -7.713 -2.362 1.00 0.68 H new ATOM 0 HA PHE A 22 -6.272 -9.534 -4.374 1.00 0.72 H new ATOM 0 HB2 PHE A 22 -7.069 -7.236 -3.990 1.00 0.76 H new ATOM 0 HB3 PHE A 22 -5.478 -6.611 -4.376 1.00 0.76 H new ATOM 0 HD1 PHE A 22 -8.152 -8.786 -5.881 1.00 2.99 H new ATOM 0 HD2 PHE A 22 -5.087 -5.828 -6.534 1.00 2.23 H new ATOM 0 HE1 PHE A 22 -8.933 -8.492 -8.222 1.00 3.26 H new ATOM 0 HE2 PHE A 22 -5.860 -5.549 -8.880 1.00 2.25 H new ATOM 0 HZ PHE A 22 -7.797 -6.863 -9.715 1.00 1.64 H new ATOM 305 N ASN A 23 -3.261 -8.235 -4.864 1.00 0.61 N ATOM 306 CA ASN A 23 -1.956 -8.430 -5.484 1.00 0.68 C ATOM 307 C ASN A 23 -0.854 -7.975 -4.518 1.00 0.65 C ATOM 308 O ASN A 23 -0.932 -6.905 -3.930 1.00 1.01 O ATOM 309 CB ASN A 23 -1.881 -7.646 -6.806 1.00 0.94 C ATOM 310 CG ASN A 23 -0.460 -7.150 -7.018 1.00 1.17 C ATOM 311 OD1 ASN A 23 0.426 -7.876 -7.461 1.00 1.84 O ATOM 312 ND2 ASN A 23 -0.195 -5.961 -6.506 1.00 1.10 N ATOM 0 H ASN A 23 -3.334 -7.347 -4.368 1.00 0.61 H new ATOM 0 HA ASN A 23 -1.812 -9.488 -5.704 1.00 0.68 H new ATOM 0 HB2 ASN A 23 -2.184 -8.283 -7.637 1.00 0.94 H new ATOM 0 HB3 ASN A 23 -2.572 -6.804 -6.782 1.00 0.94 H new ATOM 0 HD21 ASN A 23 0.767 -5.624 -6.471 1.00 1.10 H new ATOM 0 HD22 ASN A 23 -0.952 -5.381 -6.146 1.00 1.10 H new ATOM 319 N ARG A 24 0.217 -8.757 -4.400 1.00 0.66 N ATOM 320 CA ARG A 24 1.349 -8.428 -3.551 1.00 0.67 C ATOM 321 C ARG A 24 2.214 -7.270 -4.077 1.00 0.72 C ATOM 322 O ARG A 24 2.819 -6.547 -3.280 1.00 0.85 O ATOM 323 CB ARG A 24 2.244 -9.670 -3.433 1.00 0.79 C ATOM 324 CG ARG A 24 2.229 -10.311 -2.035 1.00 1.03 C ATOM 325 CD ARG A 24 1.172 -11.415 -1.904 1.00 1.44 C ATOM 326 NE ARG A 24 -0.176 -10.895 -2.165 1.00 2.94 N ATOM 327 CZ ARG A 24 -1.205 -11.596 -2.659 1.00 3.81 C ATOM 328 NH1 ARG A 24 -1.221 -12.932 -2.616 1.00 3.58 N ATOM 329 NH2 ARG A 24 -2.212 -10.916 -3.195 1.00 5.54 N ATOM 0 H ARG A 24 0.320 -9.642 -4.896 1.00 0.66 H new ATOM 0 HA ARG A 24 0.936 -8.110 -2.594 1.00 0.67 H new ATOM 0 HB2 ARG A 24 1.922 -10.410 -4.166 1.00 0.79 H new ATOM 0 HB3 ARG A 24 3.268 -9.395 -3.686 1.00 0.79 H new ATOM 0 HG2 ARG A 24 3.213 -10.728 -1.820 1.00 1.03 H new ATOM 0 HG3 ARG A 24 2.039 -9.540 -1.288 1.00 1.03 H new ATOM 0 HD2 ARG A 24 1.395 -12.220 -2.604 1.00 1.44 H new ATOM 0 HD3 ARG A 24 1.212 -11.843 -0.902 1.00 1.44 H new ATOM 0 HE ARG A 24 -0.344 -9.912 -1.951 1.00 2.94 H new ATOM 0 HH11 ARG A 24 -0.439 -13.438 -2.201 1.00 3.58 H new ATOM 0 HH12 ARG A 24 -2.015 -13.445 -2.998 1.00 3.58 H new ATOM 0 HH21 ARG A 24 -2.183 -9.897 -3.220 1.00 5.54 H new ATOM 0 HH22 ARG A 24 -3.014 -11.413 -3.582 1.00 5.54 H new ATOM 343 N TYR A 25 2.447 -7.218 -5.391 1.00 0.73 N ATOM 344 CA TYR A 25 3.565 -6.473 -5.976 1.00 0.78 C ATOM 345 C TYR A 25 3.165 -5.029 -6.281 1.00 0.90 C ATOM 346 O TYR A 25 2.065 -4.617 -5.936 1.00 2.22 O ATOM 347 CB TYR A 25 4.056 -7.231 -7.216 1.00 1.36 C ATOM 348 CG TYR A 25 4.462 -8.656 -6.889 1.00 1.88 C ATOM 349 CD1 TYR A 25 5.663 -8.893 -6.196 1.00 2.08 C ATOM 350 CD2 TYR A 25 3.553 -9.713 -7.089 1.00 2.51 C ATOM 351 CE1 TYR A 25 5.927 -10.163 -5.655 1.00 2.62 C ATOM 352 CE2 TYR A 25 3.823 -10.986 -6.558 1.00 2.97 C ATOM 353 CZ TYR A 25 5.011 -11.210 -5.840 1.00 2.94 C ATOM 354 OH TYR A 25 5.253 -12.423 -5.272 1.00 3.49 O ATOM 0 H TYR A 25 1.864 -7.692 -6.081 1.00 0.73 H new ATOM 0 HA TYR A 25 4.388 -6.405 -5.265 1.00 0.78 H new ATOM 0 HB2 TYR A 25 3.268 -7.243 -7.969 1.00 1.36 H new ATOM 0 HB3 TYR A 25 4.905 -6.703 -7.651 1.00 1.36 H new ATOM 0 HD1 TYR A 25 6.384 -8.097 -6.079 1.00 2.08 H new ATOM 0 HD2 TYR A 25 2.647 -9.545 -7.652 1.00 2.51 H new ATOM 0 HE1 TYR A 25 6.836 -10.333 -5.096 1.00 2.62 H new ATOM 0 HE2 TYR A 25 3.118 -11.792 -6.701 1.00 2.97 H new ATOM 0 HH TYR A 25 4.524 -13.039 -5.493 1.00 3.49 H new ATOM 364 N LEU A 26 4.033 -4.239 -6.913 1.00 0.85 N ATOM 365 CA LEU A 26 3.733 -2.906 -7.366 1.00 0.90 C ATOM 366 C LEU A 26 4.563 -2.718 -8.636 1.00 1.00 C ATOM 367 O LEU A 26 5.607 -3.353 -8.766 1.00 1.66 O ATOM 368 CB LEU A 26 4.171 -1.914 -6.289 1.00 1.38 C ATOM 369 CG LEU A 26 3.262 -1.881 -5.044 1.00 1.66 C ATOM 370 CD1 LEU A 26 3.983 -1.170 -3.898 1.00 2.41 C ATOM 371 CD2 LEU A 26 1.898 -1.247 -5.344 1.00 1.88 C ATOM 0 H LEU A 26 4.988 -4.529 -7.124 1.00 0.85 H new ATOM 0 HA LEU A 26 2.672 -2.749 -7.559 1.00 0.90 H new ATOM 0 HB2 LEU A 26 5.186 -2.161 -5.976 1.00 1.38 H new ATOM 0 HB3 LEU A 26 4.206 -0.916 -6.725 1.00 1.38 H new ATOM 0 HG LEU A 26 3.056 -2.907 -4.740 1.00 1.66 H new ATOM 0 HD11 LEU A 26 3.338 -1.148 -3.020 1.00 2.41 H new ATOM 0 HD12 LEU A 26 4.903 -1.704 -3.660 1.00 2.41 H new ATOM 0 HD13 LEU A 26 4.223 -0.150 -4.197 1.00 2.41 H new ATOM 0 HD21 LEU A 26 1.291 -1.245 -4.439 1.00 1.88 H new ATOM 0 HD22 LEU A 26 2.041 -0.223 -5.688 1.00 1.88 H new ATOM 0 HD23 LEU A 26 1.392 -1.823 -6.119 1.00 1.88 H new ATOM 383 N THR A 27 4.103 -1.884 -9.573 1.00 1.03 N ATOM 384 CA THR A 27 4.735 -1.740 -10.882 1.00 1.12 C ATOM 385 C THR A 27 4.637 -0.289 -11.361 1.00 1.46 C ATOM 386 O THR A 27 4.137 -0.021 -12.452 1.00 3.17 O ATOM 387 CB THR A 27 4.140 -2.772 -11.862 1.00 1.45 C ATOM 388 OG1 THR A 27 4.657 -2.577 -13.160 1.00 2.60 O ATOM 389 CG2 THR A 27 2.608 -2.744 -11.930 1.00 1.18 C ATOM 0 H THR A 27 3.283 -1.292 -9.443 1.00 1.03 H new ATOM 0 HA THR A 27 5.801 -1.958 -10.819 1.00 1.12 H new ATOM 0 HB THR A 27 4.431 -3.748 -11.473 1.00 1.45 H new ATOM 0 HG1 THR A 27 4.687 -1.618 -13.360 1.00 2.60 H new ATOM 0 HG21 THR A 27 2.261 -3.496 -12.639 1.00 1.18 H new ATOM 0 HG22 THR A 27 2.196 -2.958 -10.944 1.00 1.18 H new ATOM 0 HG23 THR A 27 2.276 -1.758 -12.256 1.00 1.18 H new ATOM 397 N ARG A 28 5.138 0.640 -10.537 1.00 0.81 N ATOM 398 CA ARG A 28 5.410 2.042 -10.850 1.00 0.94 C ATOM 399 C ARG A 28 4.158 2.899 -11.071 1.00 0.89 C ATOM 400 O ARG A 28 4.039 3.967 -10.466 1.00 1.23 O ATOM 401 CB ARG A 28 6.431 2.140 -11.994 1.00 1.32 C ATOM 402 CG ARG A 28 6.942 3.574 -12.205 1.00 1.78 C ATOM 403 CD ARG A 28 6.105 4.371 -13.218 1.00 2.73 C ATOM 404 NE ARG A 28 6.452 5.800 -13.197 1.00 3.52 N ATOM 405 CZ ARG A 28 6.028 6.692 -12.283 1.00 4.42 C ATOM 406 NH1 ARG A 28 5.243 6.314 -11.265 1.00 4.90 N ATOM 407 NH2 ARG A 28 6.399 7.972 -12.396 1.00 5.68 N ATOM 0 H ARG A 28 5.379 0.414 -9.572 1.00 0.81 H new ATOM 0 HA ARG A 28 5.856 2.486 -9.960 1.00 0.94 H new ATOM 0 HB2 ARG A 28 7.275 1.485 -11.780 1.00 1.32 H new ATOM 0 HB3 ARG A 28 5.974 1.781 -12.916 1.00 1.32 H new ATOM 0 HG2 ARG A 28 6.940 4.098 -11.249 1.00 1.78 H new ATOM 0 HG3 ARG A 28 7.977 3.538 -12.546 1.00 1.78 H new ATOM 0 HD2 ARG A 28 6.266 3.971 -14.219 1.00 2.73 H new ATOM 0 HD3 ARG A 28 5.046 4.249 -12.992 1.00 2.73 H new ATOM 0 HE ARG A 28 7.065 6.143 -13.937 1.00 3.52 H new ATOM 0 HH11 ARG A 28 4.959 5.339 -11.175 1.00 4.90 H new ATOM 0 HH12 ARG A 28 4.930 7.002 -10.580 1.00 4.90 H new ATOM 0 HH21 ARG A 28 6.997 8.263 -13.169 1.00 5.68 H new ATOM 0 HH22 ARG A 28 6.084 8.657 -11.709 1.00 5.68 H new ATOM 421 N ARG A 29 3.253 2.486 -11.960 1.00 0.70 N ATOM 422 CA ARG A 29 1.939 3.092 -12.116 1.00 0.65 C ATOM 423 C ARG A 29 1.091 2.695 -10.918 1.00 0.64 C ATOM 424 O ARG A 29 0.504 3.558 -10.271 1.00 0.67 O ATOM 425 CB ARG A 29 1.323 2.659 -13.460 1.00 0.82 C ATOM 426 CG ARG A 29 -0.138 3.079 -13.722 1.00 1.30 C ATOM 427 CD ARG A 29 -0.362 4.601 -13.812 1.00 1.65 C ATOM 428 NE ARG A 29 -1.446 4.964 -14.757 1.00 1.97 N ATOM 429 CZ ARG A 29 -2.762 4.801 -14.529 1.00 2.36 C ATOM 430 NH1 ARG A 29 -3.138 4.222 -13.399 1.00 3.00 N ATOM 431 NH2 ARG A 29 -3.687 5.200 -15.405 1.00 3.23 N ATOM 0 H ARG A 29 3.420 1.709 -12.599 1.00 0.70 H new ATOM 0 HA ARG A 29 2.001 4.180 -12.142 1.00 0.65 H new ATOM 0 HB2 ARG A 29 1.941 3.061 -14.263 1.00 0.82 H new ATOM 0 HB3 ARG A 29 1.381 1.573 -13.526 1.00 0.82 H new ATOM 0 HG2 ARG A 29 -0.473 2.620 -14.652 1.00 1.30 H new ATOM 0 HG3 ARG A 29 -0.766 2.679 -12.925 1.00 1.30 H new ATOM 0 HD2 ARG A 29 -0.604 4.988 -12.822 1.00 1.65 H new ATOM 0 HD3 ARG A 29 0.564 5.083 -14.125 1.00 1.65 H new ATOM 0 HE ARG A 29 -1.172 5.370 -15.652 1.00 1.97 H new ATOM 0 HH11 ARG A 29 -2.436 3.912 -12.727 1.00 3.00 H new ATOM 0 HH12 ARG A 29 -4.129 4.086 -13.201 1.00 3.00 H new ATOM 0 HH21 ARG A 29 -3.404 5.644 -16.279 1.00 3.23 H new ATOM 0 HH22 ARG A 29 -4.677 5.061 -15.201 1.00 3.23 H new ATOM 445 N ARG A 30 1.061 1.401 -10.588 1.00 0.72 N ATOM 446 CA ARG A 30 0.244 0.903 -9.495 1.00 0.83 C ATOM 447 C ARG A 30 0.549 1.647 -8.193 1.00 0.66 C ATOM 448 O ARG A 30 -0.377 2.119 -7.548 1.00 0.68 O ATOM 449 CB ARG A 30 0.333 -0.616 -9.403 1.00 1.03 C ATOM 450 CG ARG A 30 -1.042 -1.189 -9.024 1.00 1.22 C ATOM 451 CD ARG A 30 -1.494 -0.827 -7.606 1.00 1.71 C ATOM 452 NE ARG A 30 -2.530 0.229 -7.551 1.00 1.61 N ATOM 453 CZ ARG A 30 -3.866 0.041 -7.680 1.00 1.57 C ATOM 454 NH1 ARG A 30 -4.385 -1.182 -7.778 1.00 2.49 N ATOM 455 NH2 ARG A 30 -4.711 1.076 -7.717 1.00 2.81 N ATOM 0 H ARG A 30 1.599 0.681 -11.070 1.00 0.72 H new ATOM 0 HA ARG A 30 -0.805 1.117 -9.698 1.00 0.83 H new ATOM 0 HB2 ARG A 30 0.661 -1.030 -10.357 1.00 1.03 H new ATOM 0 HB3 ARG A 30 1.076 -0.903 -8.659 1.00 1.03 H new ATOM 0 HG2 ARG A 30 -1.784 -0.827 -9.735 1.00 1.22 H new ATOM 0 HG3 ARG A 30 -1.012 -2.274 -9.119 1.00 1.22 H new ATOM 0 HD2 ARG A 30 -1.878 -1.723 -7.119 1.00 1.71 H new ATOM 0 HD3 ARG A 30 -0.627 -0.500 -7.033 1.00 1.71 H new ATOM 0 HE ARG A 30 -2.209 1.186 -7.402 1.00 1.61 H new ATOM 0 HH11 ARG A 30 -3.774 -1.999 -7.757 1.00 2.49 H new ATOM 0 HH12 ARG A 30 -5.393 -1.302 -7.874 1.00 2.49 H new ATOM 0 HH21 ARG A 30 -4.354 2.029 -7.648 1.00 2.81 H new ATOM 0 HH22 ARG A 30 -5.713 0.913 -7.815 1.00 2.81 H new ATOM 469 N ARG A 31 1.821 1.819 -7.824 1.00 0.61 N ATOM 470 CA ARG A 31 2.230 2.542 -6.624 1.00 0.59 C ATOM 471 C ARG A 31 1.709 3.986 -6.628 1.00 0.53 C ATOM 472 O ARG A 31 1.336 4.518 -5.577 1.00 0.62 O ATOM 473 CB ARG A 31 3.763 2.499 -6.594 1.00 0.75 C ATOM 474 CG ARG A 31 4.285 2.142 -5.204 1.00 1.08 C ATOM 475 CD ARG A 31 4.750 3.373 -4.458 1.00 1.46 C ATOM 476 NE ARG A 31 3.739 4.429 -4.399 1.00 2.75 N ATOM 477 CZ ARG A 31 3.979 5.731 -4.592 1.00 3.88 C ATOM 478 NH1 ARG A 31 5.205 6.240 -4.518 1.00 4.28 N ATOM 479 NH2 ARG A 31 2.959 6.526 -4.901 1.00 5.34 N ATOM 0 H ARG A 31 2.606 1.452 -8.362 1.00 0.61 H new ATOM 0 HA ARG A 31 1.809 2.079 -5.731 1.00 0.59 H new ATOM 0 HB2 ARG A 31 4.122 1.767 -7.318 1.00 0.75 H new ATOM 0 HB3 ARG A 31 4.161 3.468 -6.896 1.00 0.75 H new ATOM 0 HG2 ARG A 31 3.500 1.645 -4.635 1.00 1.08 H new ATOM 0 HG3 ARG A 31 5.110 1.435 -5.294 1.00 1.08 H new ATOM 0 HD2 ARG A 31 5.030 3.090 -3.443 1.00 1.46 H new ATOM 0 HD3 ARG A 31 5.647 3.764 -4.939 1.00 1.46 H new ATOM 0 HE ARG A 31 2.779 4.152 -4.195 1.00 2.75 H new ATOM 0 HH11 ARG A 31 5.997 5.633 -4.309 1.00 4.28 H new ATOM 0 HH12 ARG A 31 5.353 7.238 -4.671 1.00 4.28 H new ATOM 0 HH21 ARG A 31 2.019 6.140 -4.986 1.00 5.34 H new ATOM 0 HH22 ARG A 31 3.117 7.522 -5.053 1.00 5.34 H new ATOM 493 N ILE A 32 1.707 4.657 -7.779 1.00 0.49 N ATOM 494 CA ILE A 32 1.086 5.970 -7.865 1.00 0.54 C ATOM 495 C ILE A 32 -0.409 5.831 -7.622 1.00 0.56 C ATOM 496 O ILE A 32 -0.977 6.535 -6.793 1.00 0.60 O ATOM 497 CB ILE A 32 1.417 6.646 -9.206 1.00 0.64 C ATOM 498 CG1 ILE A 32 2.805 7.306 -9.163 1.00 0.74 C ATOM 499 CG2 ILE A 32 0.340 7.659 -9.614 1.00 0.81 C ATOM 500 CD1 ILE A 32 2.957 8.415 -8.113 1.00 0.81 C ATOM 0 H ILE A 32 2.121 4.318 -8.647 1.00 0.49 H new ATOM 0 HA ILE A 32 1.489 6.625 -7.093 1.00 0.54 H new ATOM 0 HB ILE A 32 1.435 5.866 -9.967 1.00 0.64 H new ATOM 0 HG12 ILE A 32 3.552 6.536 -8.969 1.00 0.74 H new ATOM 0 HG13 ILE A 32 3.024 7.723 -10.146 1.00 0.74 H new ATOM 0 HG21 ILE A 32 0.611 8.114 -10.566 1.00 0.81 H new ATOM 0 HG22 ILE A 32 -0.619 7.150 -9.715 1.00 0.81 H new ATOM 0 HG23 ILE A 32 0.261 8.433 -8.851 1.00 0.81 H new ATOM 0 HD11 ILE A 32 3.968 8.821 -8.157 1.00 0.81 H new ATOM 0 HD12 ILE A 32 2.238 9.209 -8.315 1.00 0.81 H new ATOM 0 HD13 ILE A 32 2.774 8.004 -7.120 1.00 0.81 H new ATOM 512 N GLU A 33 -1.034 4.903 -8.335 1.00 0.61 N ATOM 513 CA GLU A 33 -2.457 4.669 -8.284 1.00 0.75 C ATOM 514 C GLU A 33 -2.931 4.421 -6.853 1.00 0.67 C ATOM 515 O GLU A 33 -3.900 5.033 -6.413 1.00 0.71 O ATOM 516 CB GLU A 33 -2.728 3.418 -9.118 1.00 0.91 C ATOM 517 CG GLU A 33 -3.178 3.613 -10.556 1.00 1.28 C ATOM 518 CD GLU A 33 -4.612 3.141 -10.828 1.00 2.26 C ATOM 519 OE1 GLU A 33 -5.111 2.284 -10.056 1.00 3.26 O ATOM 520 OE2 GLU A 33 -5.139 3.609 -11.864 1.00 3.02 O ATOM 0 H GLU A 33 -0.546 4.280 -8.979 1.00 0.61 H new ATOM 0 HA GLU A 33 -2.988 5.542 -8.663 1.00 0.75 H new ATOM 0 HB2 GLU A 33 -1.818 2.819 -9.130 1.00 0.91 H new ATOM 0 HB3 GLU A 33 -3.490 2.831 -8.605 1.00 0.91 H new ATOM 0 HG2 GLU A 33 -3.099 4.670 -10.811 1.00 1.28 H new ATOM 0 HG3 GLU A 33 -2.497 3.075 -11.216 1.00 1.28 H new ATOM 527 N ILE A 34 -2.293 3.495 -6.127 1.00 0.62 N ATOM 528 CA ILE A 34 -2.689 3.175 -4.786 1.00 0.65 C ATOM 529 C ILE A 34 -2.498 4.463 -3.983 1.00 0.59 C ATOM 530 O ILE A 34 -3.399 4.870 -3.255 1.00 0.66 O ATOM 531 CB ILE A 34 -1.910 1.932 -4.291 1.00 0.72 C ATOM 532 CG1 ILE A 34 -1.802 1.806 -2.791 1.00 0.81 C ATOM 533 CG2 ILE A 34 -0.461 1.767 -4.751 1.00 0.70 C ATOM 534 CD1 ILE A 34 -0.965 2.831 -2.028 1.00 2.40 C ATOM 0 H ILE A 34 -1.494 2.959 -6.467 1.00 0.62 H new ATOM 0 HA ILE A 34 -3.731 2.873 -4.682 1.00 0.65 H new ATOM 0 HB ILE A 34 -2.547 1.177 -4.752 1.00 0.72 H new ATOM 0 HG12 ILE A 34 -2.812 1.835 -2.383 1.00 0.81 H new ATOM 0 HG13 ILE A 34 -1.397 0.818 -2.570 1.00 0.81 H new ATOM 0 HG21 ILE A 34 -0.046 0.853 -4.326 1.00 0.70 H new ATOM 0 HG22 ILE A 34 -0.429 1.708 -5.839 1.00 0.70 H new ATOM 0 HG23 ILE A 34 0.126 2.622 -4.417 1.00 0.70 H new ATOM 0 HD11 ILE A 34 -0.990 2.601 -0.963 1.00 2.40 H new ATOM 0 HD12 ILE A 34 0.065 2.796 -2.383 1.00 2.40 H new ATOM 0 HD13 ILE A 34 -1.372 3.829 -2.193 1.00 2.40 H new ATOM 546 N ALA A 35 -1.368 5.166 -4.151 1.00 0.52 N ATOM 547 CA ALA A 35 -1.175 6.394 -3.402 1.00 0.56 C ATOM 548 C ALA A 35 -2.276 7.406 -3.687 1.00 0.64 C ATOM 549 O ALA A 35 -2.687 8.082 -2.757 1.00 0.70 O ATOM 550 CB ALA A 35 0.204 6.989 -3.644 1.00 0.57 C ATOM 0 H ALA A 35 -0.605 4.910 -4.778 1.00 0.52 H new ATOM 0 HA ALA A 35 -1.237 6.137 -2.345 1.00 0.56 H new ATOM 0 HB1 ALA A 35 0.311 7.907 -3.066 1.00 0.57 H new ATOM 0 HB2 ALA A 35 0.968 6.275 -3.335 1.00 0.57 H new ATOM 0 HB3 ALA A 35 0.323 7.212 -4.704 1.00 0.57 H new ATOM 556 N HIS A 36 -2.777 7.501 -4.920 1.00 0.70 N ATOM 557 CA HIS A 36 -3.928 8.343 -5.235 1.00 0.79 C ATOM 558 C HIS A 36 -5.167 7.854 -4.494 1.00 0.84 C ATOM 559 O HIS A 36 -5.812 8.634 -3.798 1.00 0.90 O ATOM 560 CB HIS A 36 -4.169 8.401 -6.751 1.00 0.84 C ATOM 561 CG HIS A 36 -3.094 9.134 -7.512 1.00 0.78 C ATOM 562 ND1 HIS A 36 -3.134 9.476 -8.844 1.00 0.84 N ATOM 563 CD2 HIS A 36 -1.970 9.699 -6.975 1.00 0.83 C ATOM 564 CE1 HIS A 36 -2.050 10.229 -9.099 1.00 0.83 C ATOM 565 NE2 HIS A 36 -1.308 10.392 -7.991 1.00 0.80 N ATOM 0 H HIS A 36 -2.398 6.999 -5.723 1.00 0.70 H new ATOM 0 HA HIS A 36 -3.714 9.357 -4.899 1.00 0.79 H new ATOM 0 HB2 HIS A 36 -4.244 7.384 -7.136 1.00 0.84 H new ATOM 0 HB3 HIS A 36 -5.128 8.885 -6.939 1.00 0.84 H new ATOM 0 HD2 HIS A 36 -1.651 9.623 -5.946 1.00 0.83 H new ATOM 0 HE1 HIS A 36 -1.808 10.647 -10.065 1.00 0.83 H new ATOM 0 HE2 HIS A 36 -0.437 10.916 -7.908 1.00 0.80 H new ATOM 573 N ALA A 37 -5.487 6.564 -4.626 1.00 0.81 N ATOM 574 CA ALA A 37 -6.637 5.958 -3.970 1.00 0.86 C ATOM 575 C ALA A 37 -6.638 6.234 -2.464 1.00 0.80 C ATOM 576 O ALA A 37 -7.690 6.485 -1.884 1.00 0.88 O ATOM 577 CB ALA A 37 -6.664 4.452 -4.251 1.00 0.85 C ATOM 0 H ALA A 37 -4.949 5.911 -5.196 1.00 0.81 H new ATOM 0 HA ALA A 37 -7.540 6.410 -4.379 1.00 0.86 H new ATOM 0 HB1 ALA A 37 -7.527 4.005 -3.757 1.00 0.85 H new ATOM 0 HB2 ALA A 37 -6.733 4.284 -5.326 1.00 0.85 H new ATOM 0 HB3 ALA A 37 -5.751 3.994 -3.870 1.00 0.85 H new ATOM 583 N LEU A 38 -5.466 6.185 -1.824 1.00 0.69 N ATOM 584 CA LEU A 38 -5.371 6.369 -0.383 1.00 0.68 C ATOM 585 C LEU A 38 -5.210 7.833 -0.014 1.00 0.65 C ATOM 586 O LEU A 38 -5.679 8.277 1.030 1.00 0.65 O ATOM 587 CB LEU A 38 -4.200 5.583 0.170 1.00 0.66 C ATOM 588 CG LEU A 38 -4.213 4.091 -0.166 1.00 0.92 C ATOM 589 CD1 LEU A 38 -3.154 3.373 0.659 1.00 1.27 C ATOM 590 CD2 LEU A 38 -5.568 3.441 0.077 1.00 1.61 C ATOM 0 H LEU A 38 -4.572 6.019 -2.286 1.00 0.69 H new ATOM 0 HA LEU A 38 -6.301 6.004 0.053 1.00 0.68 H new ATOM 0 HB2 LEU A 38 -3.276 6.019 -0.210 1.00 0.66 H new ATOM 0 HB3 LEU A 38 -4.184 5.697 1.254 1.00 0.66 H new ATOM 0 HG LEU A 38 -3.998 4.002 -1.231 1.00 0.92 H new ATOM 0 HD11 LEU A 38 -3.164 2.310 0.419 1.00 1.27 H new ATOM 0 HD12 LEU A 38 -2.172 3.787 0.430 1.00 1.27 H new ATOM 0 HD13 LEU A 38 -3.366 3.507 1.720 1.00 1.27 H new ATOM 0 HD21 LEU A 38 -5.515 2.383 -0.179 1.00 1.61 H new ATOM 0 HD22 LEU A 38 -5.839 3.547 1.127 1.00 1.61 H new ATOM 0 HD23 LEU A 38 -6.321 3.927 -0.543 1.00 1.61 H new ATOM 602 N SER A 39 -4.466 8.548 -0.845 1.00 0.67 N ATOM 603 CA SER A 39 -3.795 9.793 -0.557 1.00 0.67 C ATOM 604 C SER A 39 -2.760 9.609 0.558 1.00 0.69 C ATOM 605 O SER A 39 -2.887 10.123 1.667 1.00 0.84 O ATOM 606 CB SER A 39 -4.739 10.997 -0.512 1.00 0.73 C ATOM 607 OG SER A 39 -5.610 10.984 0.601 1.00 1.59 O ATOM 0 H SER A 39 -4.308 8.245 -1.806 1.00 0.67 H new ATOM 0 HA SER A 39 -3.178 10.091 -1.404 1.00 0.67 H new ATOM 0 HB2 SER A 39 -4.148 11.913 -0.491 1.00 0.73 H new ATOM 0 HB3 SER A 39 -5.331 11.020 -1.427 1.00 0.73 H new ATOM 0 HG SER A 39 -5.663 10.075 0.964 1.00 1.59 H new ATOM 613 N LEU A 40 -1.711 8.846 0.224 1.00 0.70 N ATOM 614 CA LEU A 40 -0.495 8.703 1.013 1.00 0.73 C ATOM 615 C LEU A 40 0.702 9.292 0.256 1.00 0.61 C ATOM 616 O LEU A 40 0.618 9.590 -0.932 1.00 0.88 O ATOM 617 CB LEU A 40 -0.255 7.223 1.335 1.00 0.81 C ATOM 618 CG LEU A 40 -0.888 6.723 2.638 1.00 1.06 C ATOM 619 CD1 LEU A 40 -0.428 5.276 2.842 1.00 1.24 C ATOM 620 CD2 LEU A 40 -0.441 7.557 3.845 1.00 1.16 C ATOM 0 H LEU A 40 -1.692 8.295 -0.634 1.00 0.70 H new ATOM 0 HA LEU A 40 -0.611 9.250 1.948 1.00 0.73 H new ATOM 0 HB2 LEU A 40 -0.639 6.622 0.510 1.00 0.81 H new ATOM 0 HB3 LEU A 40 0.820 7.049 1.383 1.00 0.81 H new ATOM 0 HG LEU A 40 -1.972 6.803 2.563 1.00 1.06 H new ATOM 0 HD11 LEU A 40 -0.859 4.883 3.763 1.00 1.24 H new ATOM 0 HD12 LEU A 40 -0.756 4.668 1.999 1.00 1.24 H new ATOM 0 HD13 LEU A 40 0.660 5.246 2.909 1.00 1.24 H new ATOM 0 HD21 LEU A 40 -0.912 7.170 4.749 1.00 1.16 H new ATOM 0 HD22 LEU A 40 0.643 7.498 3.947 1.00 1.16 H new ATOM 0 HD23 LEU A 40 -0.736 8.596 3.698 1.00 1.16 H new ATOM 632 N THR A 41 1.828 9.456 0.962 1.00 0.56 N ATOM 633 CA THR A 41 2.927 10.339 0.576 1.00 0.71 C ATOM 634 C THR A 41 4.200 9.542 0.221 1.00 0.94 C ATOM 635 O THR A 41 5.299 9.815 0.710 1.00 1.48 O ATOM 636 CB THR A 41 3.078 11.421 1.669 1.00 1.31 C ATOM 637 OG1 THR A 41 4.035 12.407 1.328 1.00 2.20 O ATOM 638 CG2 THR A 41 3.389 10.847 3.058 1.00 1.31 C ATOM 0 H THR A 41 2.001 8.964 1.839 1.00 0.56 H new ATOM 0 HA THR A 41 2.713 10.866 -0.354 1.00 0.71 H new ATOM 0 HB THR A 41 2.098 11.895 1.723 1.00 1.31 H new ATOM 0 HG1 THR A 41 3.981 13.149 1.966 1.00 2.20 H new ATOM 0 HG21 THR A 41 3.482 11.662 3.776 1.00 1.31 H new ATOM 0 HG22 THR A 41 2.582 10.182 3.366 1.00 1.31 H new ATOM 0 HG23 THR A 41 4.324 10.289 3.020 1.00 1.31 H new ATOM 646 N GLU A 42 4.038 8.553 -0.665 1.00 0.85 N ATOM 647 CA GLU A 42 5.073 7.826 -1.407 1.00 1.26 C ATOM 648 C GLU A 42 5.799 6.862 -0.483 1.00 1.12 C ATOM 649 O GLU A 42 5.604 5.645 -0.526 1.00 1.02 O ATOM 650 CB GLU A 42 6.016 8.837 -2.118 1.00 1.96 C ATOM 651 CG GLU A 42 7.101 8.326 -3.089 1.00 2.72 C ATOM 652 CD GLU A 42 7.807 7.047 -2.664 1.00 3.13 C ATOM 653 OE1 GLU A 42 8.794 7.145 -1.905 1.00 4.49 O ATOM 654 OE2 GLU A 42 7.374 5.948 -3.091 1.00 3.11 O ATOM 0 H GLU A 42 3.105 8.214 -0.900 1.00 0.85 H new ATOM 0 HA GLU A 42 4.622 7.216 -2.190 1.00 1.26 H new ATOM 0 HB2 GLU A 42 5.387 9.533 -2.672 1.00 1.96 H new ATOM 0 HB3 GLU A 42 6.520 9.412 -1.341 1.00 1.96 H new ATOM 0 HG2 GLU A 42 6.643 8.161 -4.064 1.00 2.72 H new ATOM 0 HG3 GLU A 42 7.849 9.109 -3.216 1.00 2.72 H new ATOM 661 N ARG A 43 6.630 7.443 0.368 1.00 1.25 N ATOM 662 CA ARG A 43 7.548 6.704 1.212 1.00 1.22 C ATOM 663 C ARG A 43 6.735 5.775 2.100 1.00 0.99 C ATOM 664 O ARG A 43 7.049 4.599 2.225 1.00 0.90 O ATOM 665 CB ARG A 43 8.485 7.660 1.963 1.00 1.40 C ATOM 666 CG ARG A 43 7.784 8.678 2.878 1.00 2.65 C ATOM 667 CD ARG A 43 8.620 9.964 2.942 1.00 2.96 C ATOM 668 NE ARG A 43 8.009 11.001 3.790 1.00 4.44 N ATOM 669 CZ ARG A 43 7.038 11.850 3.407 1.00 5.47 C ATOM 670 NH1 ARG A 43 6.408 11.676 2.244 1.00 5.55 N ATOM 671 NH2 ARG A 43 6.690 12.871 4.198 1.00 7.05 N ATOM 0 H ARG A 43 6.684 8.454 0.491 1.00 1.25 H new ATOM 0 HA ARG A 43 8.217 6.077 0.622 1.00 1.22 H new ATOM 0 HB2 ARG A 43 9.175 7.069 2.565 1.00 1.40 H new ATOM 0 HB3 ARG A 43 9.085 8.204 1.233 1.00 1.40 H new ATOM 0 HG2 ARG A 43 6.786 8.898 2.499 1.00 2.65 H new ATOM 0 HG3 ARG A 43 7.660 8.261 3.877 1.00 2.65 H new ATOM 0 HD2 ARG A 43 9.613 9.728 3.324 1.00 2.96 H new ATOM 0 HD3 ARG A 43 8.752 10.357 1.934 1.00 2.96 H new ATOM 0 HE ARG A 43 8.350 11.083 4.748 1.00 4.44 H new ATOM 0 HH11 ARG A 43 6.661 10.895 1.639 1.00 5.55 H new ATOM 0 HH12 ARG A 43 5.673 12.324 1.960 1.00 5.55 H new ATOM 0 HH21 ARG A 43 7.161 13.007 5.093 1.00 7.05 H new ATOM 0 HH22 ARG A 43 5.954 13.514 3.907 1.00 7.05 H new ATOM 685 N GLN A 44 5.624 6.296 2.622 1.00 0.89 N ATOM 686 CA GLN A 44 4.662 5.550 3.408 1.00 0.70 C ATOM 687 C GLN A 44 4.208 4.282 2.684 1.00 0.50 C ATOM 688 O GLN A 44 4.199 3.203 3.266 1.00 0.37 O ATOM 689 CB GLN A 44 3.469 6.471 3.704 1.00 0.65 C ATOM 690 CG GLN A 44 2.849 6.172 5.072 1.00 1.49 C ATOM 691 CD GLN A 44 3.833 6.374 6.219 1.00 1.42 C ATOM 692 OE1 GLN A 44 4.258 5.424 6.869 1.00 3.11 O ATOM 693 NE2 GLN A 44 4.229 7.617 6.467 1.00 1.47 N ATOM 0 H GLN A 44 5.369 7.276 2.502 1.00 0.89 H new ATOM 0 HA GLN A 44 5.126 5.227 4.340 1.00 0.70 H new ATOM 0 HB2 GLN A 44 3.795 7.511 3.671 1.00 0.65 H new ATOM 0 HB3 GLN A 44 2.714 6.349 2.928 1.00 0.65 H new ATOM 0 HG2 GLN A 44 1.983 6.817 5.223 1.00 1.49 H new ATOM 0 HG3 GLN A 44 2.487 5.144 5.086 1.00 1.49 H new ATOM 0 HE21 GLN A 44 3.861 8.390 5.912 1.00 1.47 H new ATOM 0 HE22 GLN A 44 4.901 7.799 7.212 1.00 1.47 H new ATOM 702 N ILE A 45 3.828 4.416 1.410 1.00 0.59 N ATOM 703 CA ILE A 45 3.341 3.285 0.624 1.00 0.58 C ATOM 704 C ILE A 45 4.424 2.209 0.558 1.00 0.57 C ATOM 705 O ILE A 45 4.189 1.046 0.888 1.00 0.51 O ATOM 706 CB ILE A 45 2.896 3.730 -0.787 1.00 0.78 C ATOM 707 CG1 ILE A 45 1.684 4.672 -0.705 1.00 0.88 C ATOM 708 CG2 ILE A 45 2.522 2.507 -1.643 1.00 0.85 C ATOM 709 CD1 ILE A 45 2.091 6.137 -0.783 1.00 2.41 C ATOM 0 H ILE A 45 3.849 5.300 0.902 1.00 0.59 H new ATOM 0 HA ILE A 45 2.461 2.867 1.112 1.00 0.58 H new ATOM 0 HB ILE A 45 3.731 4.258 -1.248 1.00 0.78 H new ATOM 0 HG12 ILE A 45 0.993 4.444 -1.517 1.00 0.88 H new ATOM 0 HG13 ILE A 45 1.149 4.494 0.228 1.00 0.88 H new ATOM 0 HG21 ILE A 45 2.211 2.838 -2.634 1.00 0.85 H new ATOM 0 HG22 ILE A 45 3.386 1.849 -1.735 1.00 0.85 H new ATOM 0 HG23 ILE A 45 1.704 1.966 -1.167 1.00 0.85 H new ATOM 0 HD11 ILE A 45 1.202 6.765 -0.721 1.00 2.41 H new ATOM 0 HD12 ILE A 45 2.761 6.373 0.044 1.00 2.41 H new ATOM 0 HD13 ILE A 45 2.602 6.323 -1.728 1.00 2.41 H new ATOM 721 N LYS A 46 5.614 2.612 0.111 1.00 0.67 N ATOM 722 CA LYS A 46 6.743 1.711 -0.048 1.00 0.67 C ATOM 723 C LYS A 46 7.069 1.016 1.282 1.00 0.54 C ATOM 724 O LYS A 46 7.155 -0.212 1.343 1.00 0.50 O ATOM 725 CB LYS A 46 7.907 2.518 -0.638 1.00 0.86 C ATOM 726 CG LYS A 46 9.215 1.724 -0.714 1.00 1.09 C ATOM 727 CD LYS A 46 10.269 2.391 -1.614 1.00 2.07 C ATOM 728 CE LYS A 46 10.474 3.889 -1.329 1.00 3.64 C ATOM 729 NZ LYS A 46 9.626 4.756 -2.178 1.00 5.20 N ATOM 0 H LYS A 46 5.817 3.577 -0.150 1.00 0.67 H new ATOM 0 HA LYS A 46 6.516 0.900 -0.740 1.00 0.67 H new ATOM 0 HB2 LYS A 46 7.636 2.856 -1.638 1.00 0.86 H new ATOM 0 HB3 LYS A 46 8.066 3.410 -0.032 1.00 0.86 H new ATOM 0 HG2 LYS A 46 9.623 1.608 0.290 1.00 1.09 H new ATOM 0 HG3 LYS A 46 9.005 0.723 -1.090 1.00 1.09 H new ATOM 0 HD2 LYS A 46 11.220 1.874 -1.488 1.00 2.07 H new ATOM 0 HD3 LYS A 46 9.974 2.266 -2.656 1.00 2.07 H new ATOM 0 HE2 LYS A 46 10.254 4.088 -0.280 1.00 3.64 H new ATOM 0 HE3 LYS A 46 11.522 4.145 -1.489 1.00 3.64 H new ATOM 0 HZ1 LYS A 46 9.780 5.752 -1.920 1.00 5.20 H new ATOM 0 HZ2 LYS A 46 9.876 4.614 -3.178 1.00 5.20 H new ATOM 0 HZ3 LYS A 46 8.625 4.512 -2.033 1.00 5.20 H new ATOM 743 N ILE A 47 7.234 1.803 2.347 1.00 0.52 N ATOM 744 CA ILE A 47 7.516 1.311 3.689 1.00 0.45 C ATOM 745 C ILE A 47 6.445 0.309 4.116 1.00 0.36 C ATOM 746 O ILE A 47 6.792 -0.803 4.504 1.00 0.38 O ATOM 747 CB ILE A 47 7.735 2.492 4.658 1.00 0.55 C ATOM 748 CG1 ILE A 47 9.224 2.886 4.718 1.00 0.62 C ATOM 749 CG2 ILE A 47 7.271 2.230 6.096 1.00 0.61 C ATOM 750 CD1 ILE A 47 9.883 3.129 3.355 1.00 1.08 C ATOM 0 H ILE A 47 7.173 2.820 2.295 1.00 0.52 H new ATOM 0 HA ILE A 47 8.453 0.755 3.706 1.00 0.45 H new ATOM 0 HB ILE A 47 7.121 3.293 4.247 1.00 0.55 H new ATOM 0 HG12 ILE A 47 9.322 3.790 5.319 1.00 0.62 H new ATOM 0 HG13 ILE A 47 9.773 2.099 5.235 1.00 0.62 H new ATOM 0 HG21 ILE A 47 7.463 3.112 6.707 1.00 0.61 H new ATOM 0 HG22 ILE A 47 6.203 2.012 6.100 1.00 0.61 H new ATOM 0 HG23 ILE A 47 7.817 1.380 6.505 1.00 0.61 H new ATOM 0 HD11 ILE A 47 10.929 3.401 3.500 1.00 1.08 H new ATOM 0 HD12 ILE A 47 9.824 2.221 2.755 1.00 1.08 H new ATOM 0 HD13 ILE A 47 9.366 3.939 2.840 1.00 1.08 H new ATOM 762 N TRP A 48 5.157 0.649 4.001 1.00 0.34 N ATOM 763 CA TRP A 48 4.104 -0.292 4.352 1.00 0.32 C ATOM 764 C TRP A 48 4.287 -1.586 3.570 1.00 0.37 C ATOM 765 O TRP A 48 4.386 -2.652 4.169 1.00 0.50 O ATOM 766 CB TRP A 48 2.712 0.300 4.107 1.00 0.33 C ATOM 767 CG TRP A 48 1.581 -0.467 4.732 1.00 0.33 C ATOM 768 CD1 TRP A 48 1.054 -0.218 5.951 1.00 0.36 C ATOM 769 CD2 TRP A 48 0.831 -1.612 4.213 1.00 0.33 C ATOM 770 NE1 TRP A 48 0.024 -1.094 6.204 1.00 0.36 N ATOM 771 CE2 TRP A 48 -0.134 -2.007 5.191 1.00 0.36 C ATOM 772 CE3 TRP A 48 0.867 -2.370 3.024 1.00 0.37 C ATOM 773 CZ2 TRP A 48 -0.994 -3.102 5.012 1.00 0.42 C ATOM 774 CZ3 TRP A 48 -0.033 -3.431 2.821 1.00 0.41 C ATOM 775 CH2 TRP A 48 -0.967 -3.786 3.800 1.00 0.42 C ATOM 0 H TRP A 48 4.828 1.557 3.672 1.00 0.34 H new ATOM 0 HA TRP A 48 4.179 -0.506 5.418 1.00 0.32 H new ATOM 0 HB2 TRP A 48 2.695 1.321 4.489 1.00 0.33 H new ATOM 0 HB3 TRP A 48 2.542 0.359 3.032 1.00 0.33 H new ATOM 0 HD1 TRP A 48 1.391 0.554 6.626 1.00 0.36 H new ATOM 0 HE1 TRP A 48 -0.554 -1.068 7.044 1.00 0.36 H new ATOM 0 HE3 TRP A 48 1.594 -2.133 2.261 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -1.665 -3.408 5.801 1.00 0.42 H new ATOM 0 HZ3 TRP A 48 -0.003 -3.982 1.893 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -1.665 -4.589 3.616 1.00 0.42 H new ATOM 786 N PHE A 49 4.367 -1.496 2.238 1.00 0.41 N ATOM 787 CA PHE A 49 4.521 -2.668 1.384 1.00 0.58 C ATOM 788 C PHE A 49 5.720 -3.529 1.789 1.00 0.68 C ATOM 789 O PHE A 49 5.643 -4.753 1.649 1.00 0.97 O ATOM 790 CB PHE A 49 4.554 -2.282 -0.103 1.00 0.69 C ATOM 791 CG PHE A 49 3.194 -2.397 -0.772 1.00 0.76 C ATOM 792 CD1 PHE A 49 2.148 -1.540 -0.383 1.00 0.75 C ATOM 793 CD2 PHE A 49 2.943 -3.415 -1.715 1.00 1.15 C ATOM 794 CE1 PHE A 49 0.849 -1.744 -0.879 1.00 0.88 C ATOM 795 CE2 PHE A 49 1.643 -3.615 -2.211 1.00 1.21 C ATOM 796 CZ PHE A 49 0.591 -2.795 -1.773 1.00 0.97 C ATOM 0 H PHE A 49 4.327 -0.613 1.729 1.00 0.41 H new ATOM 0 HA PHE A 49 3.638 -3.290 1.532 1.00 0.58 H new ATOM 0 HB2 PHE A 49 4.916 -1.258 -0.200 1.00 0.69 H new ATOM 0 HB3 PHE A 49 5.265 -2.923 -0.624 1.00 0.69 H new ATOM 0 HD1 PHE A 49 2.344 -0.725 0.298 1.00 0.75 H new ATOM 0 HD2 PHE A 49 3.752 -4.043 -2.057 1.00 1.15 H new ATOM 0 HE1 PHE A 49 0.047 -1.090 -0.571 1.00 0.88 H new ATOM 0 HE2 PHE A 49 1.454 -4.399 -2.929 1.00 1.21 H new ATOM 0 HZ PHE A 49 -0.415 -2.973 -2.123 1.00 0.97 H new ATOM 806 N GLN A 50 6.807 -2.923 2.281 1.00 0.53 N ATOM 807 CA GLN A 50 7.887 -3.678 2.900 1.00 0.58 C ATOM 808 C GLN A 50 7.388 -4.335 4.195 1.00 0.61 C ATOM 809 O GLN A 50 7.314 -5.562 4.279 1.00 0.85 O ATOM 810 CB GLN A 50 9.107 -2.765 3.117 1.00 0.61 C ATOM 811 CG GLN A 50 10.385 -3.528 3.502 1.00 0.85 C ATOM 812 CD GLN A 50 10.339 -4.099 4.919 1.00 2.65 C ATOM 813 OE1 GLN A 50 10.008 -3.396 5.869 1.00 3.89 O ATOM 814 NE2 GLN A 50 10.638 -5.385 5.080 1.00 3.77 N ATOM 0 H GLN A 50 6.956 -1.914 2.260 1.00 0.53 H new ATOM 0 HA GLN A 50 8.210 -4.484 2.241 1.00 0.58 H new ATOM 0 HB2 GLN A 50 9.293 -2.198 2.205 1.00 0.61 H new ATOM 0 HB3 GLN A 50 8.875 -2.043 3.900 1.00 0.61 H new ATOM 0 HG2 GLN A 50 10.542 -4.342 2.794 1.00 0.85 H new ATOM 0 HG3 GLN A 50 11.241 -2.859 3.414 1.00 0.85 H new ATOM 0 HE21 GLN A 50 10.911 -5.950 4.276 1.00 3.77 H new ATOM 0 HE22 GLN A 50 10.595 -5.806 6.008 1.00 3.77 H new ATOM 823 N ASN A 51 7.070 -3.519 5.207 1.00 0.48 N ATOM 824 CA ASN A 51 6.803 -3.962 6.579 1.00 0.55 C ATOM 825 C ASN A 51 5.781 -5.092 6.607 1.00 0.55 C ATOM 826 O ASN A 51 5.941 -6.091 7.311 1.00 0.67 O ATOM 827 CB ASN A 51 6.292 -2.822 7.480 1.00 0.61 C ATOM 828 CG ASN A 51 7.038 -1.490 7.420 1.00 0.69 C ATOM 829 OD1 ASN A 51 6.462 -0.457 7.741 1.00 1.80 O ATOM 830 ND2 ASN A 51 8.310 -1.481 7.038 1.00 1.18 N ATOM 0 H ASN A 51 6.990 -2.509 5.091 1.00 0.48 H new ATOM 0 HA ASN A 51 7.760 -4.313 6.967 1.00 0.55 H new ATOM 0 HB2 ASN A 51 5.248 -2.635 7.227 1.00 0.61 H new ATOM 0 HB3 ASN A 51 6.312 -3.173 8.512 1.00 0.61 H new ATOM 0 HD21 ASN A 51 8.827 -0.602 7.008 1.00 1.18 H new ATOM 0 HD22 ASN A 51 8.770 -2.353 6.775 1.00 1.18 H new ATOM 837 N ARG A 52 4.723 -4.911 5.817 1.00 0.47 N ATOM 838 CA ARG A 52 3.666 -5.877 5.610 1.00 0.51 C ATOM 839 C ARG A 52 4.252 -7.264 5.392 1.00 0.63 C ATOM 840 O ARG A 52 3.857 -8.198 6.078 1.00 1.41 O ATOM 841 CB ARG A 52 2.843 -5.456 4.394 1.00 0.68 C ATOM 842 CG ARG A 52 1.363 -5.791 4.480 1.00 0.78 C ATOM 843 CD ARG A 52 0.942 -7.158 5.006 1.00 1.21 C ATOM 844 NE ARG A 52 -0.130 -7.664 4.151 1.00 1.92 N ATOM 845 CZ ARG A 52 -1.359 -8.079 4.494 1.00 2.25 C ATOM 846 NH1 ARG A 52 -1.687 -8.248 5.778 1.00 2.05 N ATOM 847 NH2 ARG A 52 -2.254 -8.298 3.527 1.00 3.45 N ATOM 0 H ARG A 52 4.581 -4.051 5.287 1.00 0.47 H new ATOM 0 HA ARG A 52 3.027 -5.912 6.492 1.00 0.51 H new ATOM 0 HB2 ARG A 52 2.950 -4.380 4.255 1.00 0.68 H new ATOM 0 HB3 ARG A 52 3.259 -5.935 3.508 1.00 0.68 H new ATOM 0 HG2 ARG A 52 0.892 -5.037 5.110 1.00 0.78 H new ATOM 0 HG3 ARG A 52 0.942 -5.680 3.481 1.00 0.78 H new ATOM 0 HD2 ARG A 52 1.789 -7.845 5.001 1.00 1.21 H new ATOM 0 HD3 ARG A 52 0.601 -7.080 6.038 1.00 1.21 H new ATOM 0 HE ARG A 52 0.086 -7.708 3.155 1.00 1.92 H new ATOM 0 HH11 ARG A 52 -1.000 -8.061 6.509 1.00 2.05 H new ATOM 0 HH12 ARG A 52 -2.624 -8.564 6.028 1.00 2.05 H new ATOM 0 HH21 ARG A 52 -1.997 -8.149 2.551 1.00 3.45 H new ATOM 0 HH22 ARG A 52 -3.194 -8.614 3.764 1.00 3.45 H new ATOM 861 N ARG A 53 5.166 -7.417 4.429 1.00 0.57 N ATOM 862 CA ARG A 53 5.655 -8.734 4.052 1.00 0.59 C ATOM 863 C ARG A 53 6.322 -9.396 5.257 1.00 0.63 C ATOM 864 O ARG A 53 6.104 -10.576 5.535 1.00 0.78 O ATOM 865 CB ARG A 53 6.654 -8.630 2.893 1.00 0.80 C ATOM 866 CG ARG A 53 5.993 -8.149 1.607 1.00 0.95 C ATOM 867 CD ARG A 53 7.079 -7.563 0.700 1.00 1.51 C ATOM 868 NE ARG A 53 6.693 -7.631 -0.709 1.00 1.67 N ATOM 869 CZ ARG A 53 5.641 -7.016 -1.273 1.00 2.14 C ATOM 870 NH1 ARG A 53 4.934 -6.114 -0.587 1.00 2.46 N ATOM 871 NH2 ARG A 53 5.285 -7.319 -2.524 1.00 3.30 N ATOM 0 H ARG A 53 5.577 -6.646 3.903 1.00 0.57 H new ATOM 0 HA ARG A 53 4.811 -9.341 3.724 1.00 0.59 H new ATOM 0 HB2 ARG A 53 7.456 -7.944 3.167 1.00 0.80 H new ATOM 0 HB3 ARG A 53 7.113 -9.604 2.722 1.00 0.80 H new ATOM 0 HG2 ARG A 53 5.486 -8.975 1.108 1.00 0.95 H new ATOM 0 HG3 ARG A 53 5.235 -7.397 1.827 1.00 0.95 H new ATOM 0 HD2 ARG A 53 7.266 -6.526 0.978 1.00 1.51 H new ATOM 0 HD3 ARG A 53 8.012 -8.106 0.850 1.00 1.51 H new ATOM 0 HE ARG A 53 7.278 -8.199 -1.321 1.00 1.67 H new ATOM 0 HH11 ARG A 53 5.192 -5.887 0.374 1.00 2.46 H new ATOM 0 HH12 ARG A 53 4.136 -5.652 -1.024 1.00 2.46 H new ATOM 0 HH21 ARG A 53 5.812 -8.017 -3.049 1.00 3.30 H new ATOM 0 HH22 ARG A 53 4.486 -6.853 -2.954 1.00 3.30 H new ATOM 885 N MET A 54 7.123 -8.612 5.983 1.00 0.63 N ATOM 886 CA MET A 54 7.799 -9.077 7.178 1.00 0.69 C ATOM 887 C MET A 54 6.770 -9.606 8.170 1.00 0.70 C ATOM 888 O MET A 54 6.849 -10.756 8.603 1.00 0.96 O ATOM 889 CB MET A 54 8.616 -7.925 7.780 1.00 0.70 C ATOM 890 CG MET A 54 9.723 -8.416 8.721 1.00 1.02 C ATOM 891 SD MET A 54 10.982 -9.521 8.024 1.00 2.66 S ATOM 892 CE MET A 54 11.688 -8.489 6.721 1.00 3.12 C ATOM 0 H MET A 54 7.316 -7.637 5.751 1.00 0.63 H new ATOM 0 HA MET A 54 8.483 -9.890 6.933 1.00 0.69 H new ATOM 0 HB2 MET A 54 9.061 -7.341 6.975 1.00 0.70 H new ATOM 0 HB3 MET A 54 7.949 -7.258 8.326 1.00 0.70 H new ATOM 0 HG2 MET A 54 10.231 -7.542 9.129 1.00 1.02 H new ATOM 0 HG3 MET A 54 9.250 -8.930 9.558 1.00 1.02 H new ATOM 0 HE1 MET A 54 12.545 -8.997 6.278 1.00 3.12 H new ATOM 0 HE2 MET A 54 10.936 -8.308 5.953 1.00 3.12 H new ATOM 0 HE3 MET A 54 12.010 -7.538 7.145 1.00 3.12 H new ATOM 902 N LYS A 55 5.794 -8.767 8.528 1.00 0.61 N ATOM 903 CA LYS A 55 4.846 -9.187 9.553 1.00 0.75 C ATOM 904 C LYS A 55 3.920 -10.292 9.036 1.00 0.83 C ATOM 905 O LYS A 55 3.544 -11.174 9.800 1.00 1.15 O ATOM 906 CB LYS A 55 4.014 -7.970 9.999 1.00 0.84 C ATOM 907 CG LYS A 55 3.055 -8.308 11.154 1.00 1.66 C ATOM 908 CD LYS A 55 2.045 -7.176 11.383 1.00 2.29 C ATOM 909 CE LYS A 55 1.033 -7.510 12.491 1.00 3.28 C ATOM 910 NZ LYS A 55 0.235 -8.724 12.202 1.00 4.13 N ATOM 0 H LYS A 55 5.645 -7.835 8.142 1.00 0.61 H new ATOM 0 HA LYS A 55 5.403 -9.589 10.399 1.00 0.75 H new ATOM 0 HB2 LYS A 55 4.685 -7.169 10.310 1.00 0.84 H new ATOM 0 HB3 LYS A 55 3.440 -7.595 9.152 1.00 0.84 H new ATOM 0 HG2 LYS A 55 2.524 -9.233 10.931 1.00 1.66 H new ATOM 0 HG3 LYS A 55 3.626 -8.480 12.066 1.00 1.66 H new ATOM 0 HD2 LYS A 55 2.580 -6.263 11.646 1.00 2.29 H new ATOM 0 HD3 LYS A 55 1.510 -6.976 10.454 1.00 2.29 H new ATOM 0 HE2 LYS A 55 1.566 -7.648 13.432 1.00 3.28 H new ATOM 0 HE3 LYS A 55 0.360 -6.664 12.627 1.00 3.28 H new ATOM 0 HZ1 LYS A 55 -0.440 -8.888 12.976 1.00 4.13 H new ATOM 0 HZ2 LYS A 55 -0.285 -8.594 11.311 1.00 4.13 H new ATOM 0 HZ3 LYS A 55 0.869 -9.544 12.116 1.00 4.13 H new ATOM 924 N TRP A 56 3.679 -10.339 7.730 1.00 0.67 N ATOM 925 CA TRP A 56 2.819 -11.311 7.067 1.00 0.81 C ATOM 926 C TRP A 56 3.415 -12.692 7.287 1.00 1.00 C ATOM 927 O TRP A 56 2.760 -13.611 7.785 1.00 1.21 O ATOM 928 CB TRP A 56 2.729 -10.959 5.574 1.00 0.70 C ATOM 929 CG TRP A 56 2.300 -12.038 4.637 1.00 0.85 C ATOM 930 CD1 TRP A 56 1.038 -12.486 4.517 1.00 1.03 C ATOM 931 CD2 TRP A 56 3.094 -12.822 3.695 1.00 0.97 C ATOM 932 NE1 TRP A 56 0.979 -13.480 3.563 1.00 1.19 N ATOM 933 CE2 TRP A 56 2.225 -13.733 3.023 1.00 1.18 C ATOM 934 CE3 TRP A 56 4.461 -12.866 3.344 1.00 1.06 C ATOM 935 CZ2 TRP A 56 2.689 -14.638 2.054 1.00 1.43 C ATOM 936 CZ3 TRP A 56 4.941 -13.786 2.393 1.00 1.34 C ATOM 937 CH2 TRP A 56 4.059 -14.668 1.746 1.00 1.51 C ATOM 0 H TRP A 56 4.095 -9.673 7.079 1.00 0.67 H new ATOM 0 HA TRP A 56 1.808 -11.297 7.474 1.00 0.81 H new ATOM 0 HB2 TRP A 56 2.036 -10.125 5.466 1.00 0.70 H new ATOM 0 HB3 TRP A 56 3.708 -10.604 5.252 1.00 0.70 H new ATOM 0 HD1 TRP A 56 0.195 -12.121 5.084 1.00 1.03 H new ATOM 0 HE1 TRP A 56 0.125 -13.966 3.291 1.00 1.19 H new ATOM 0 HE3 TRP A 56 5.151 -12.181 3.814 1.00 1.06 H new ATOM 0 HZ2 TRP A 56 2.001 -15.302 1.552 1.00 1.43 H new ATOM 0 HZ3 TRP A 56 5.995 -13.814 2.159 1.00 1.34 H new ATOM 0 HH2 TRP A 56 4.434 -15.367 1.013 1.00 1.51 H new ATOM 948 N LYS A 57 4.706 -12.783 6.992 1.00 1.01 N ATOM 949 CA LYS A 57 5.474 -14.012 7.046 1.00 1.24 C ATOM 950 C LYS A 57 5.756 -14.435 8.490 1.00 1.41 C ATOM 951 O LYS A 57 6.200 -15.560 8.711 1.00 1.68 O ATOM 952 CB LYS A 57 6.777 -13.737 6.274 1.00 1.33 C ATOM 953 CG LYS A 57 7.838 -14.845 6.286 1.00 1.82 C ATOM 954 CD LYS A 57 9.028 -14.355 5.448 1.00 2.77 C ATOM 955 CE LYS A 57 10.275 -15.229 5.613 1.00 3.89 C ATOM 956 NZ LYS A 57 10.086 -16.585 5.073 1.00 3.76 N ATOM 0 H LYS A 57 5.260 -11.978 6.700 1.00 1.01 H new ATOM 0 HA LYS A 57 4.921 -14.839 6.600 1.00 1.24 H new ATOM 0 HB2 LYS A 57 6.518 -13.526 5.236 1.00 1.33 H new ATOM 0 HB3 LYS A 57 7.227 -12.832 6.681 1.00 1.33 H new ATOM 0 HG2 LYS A 57 8.152 -15.064 7.307 1.00 1.82 H new ATOM 0 HG3 LYS A 57 7.432 -15.768 5.873 1.00 1.82 H new ATOM 0 HD2 LYS A 57 8.741 -14.335 4.397 1.00 2.77 H new ATOM 0 HD3 LYS A 57 9.269 -13.331 5.732 1.00 2.77 H new ATOM 0 HE2 LYS A 57 11.117 -14.754 5.109 1.00 3.89 H new ATOM 0 HE3 LYS A 57 10.532 -15.295 6.670 1.00 3.89 H new ATOM 0 HZ1 LYS A 57 11.012 -17.045 4.958 1.00 3.76 H new ATOM 0 HZ2 LYS A 57 9.502 -17.142 5.729 1.00 3.76 H new ATOM 0 HZ3 LYS A 57 9.610 -16.528 4.150 1.00 3.76 H new ATOM 970 N LYS A 58 5.403 -13.608 9.476 1.00 1.34 N ATOM 971 CA LYS A 58 5.498 -13.995 10.877 1.00 1.54 C ATOM 972 C LYS A 58 4.174 -14.596 11.378 1.00 1.69 C ATOM 973 O LYS A 58 4.158 -15.173 12.467 1.00 1.91 O ATOM 974 CB LYS A 58 6.001 -12.795 11.716 1.00 1.58 C ATOM 975 CG LYS A 58 4.971 -12.302 12.738 1.00 3.13 C ATOM 976 CD LYS A 58 5.384 -11.059 13.527 1.00 3.86 C ATOM 977 CE LYS A 58 4.554 -10.944 14.819 1.00 5.44 C ATOM 978 NZ LYS A 58 3.119 -11.271 14.637 1.00 6.67 N ATOM 0 H LYS A 58 5.048 -12.664 9.325 1.00 1.34 H new ATOM 0 HA LYS A 58 6.234 -14.791 10.992 1.00 1.54 H new ATOM 0 HB2 LYS A 58 6.914 -13.082 12.238 1.00 1.58 H new ATOM 0 HB3 LYS A 58 6.261 -11.975 11.047 1.00 1.58 H new ATOM 0 HG2 LYS A 58 4.038 -12.089 12.216 1.00 3.13 H new ATOM 0 HG3 LYS A 58 4.766 -13.109 13.442 1.00 3.13 H new ATOM 0 HD2 LYS A 58 6.445 -11.112 13.772 1.00 3.86 H new ATOM 0 HD3 LYS A 58 5.242 -10.168 12.915 1.00 3.86 H new ATOM 0 HE2 LYS A 58 4.976 -11.609 15.572 1.00 5.44 H new ATOM 0 HE3 LYS A 58 4.640 -9.929 15.206 1.00 5.44 H new ATOM 0 HZ1 LYS A 58 2.598 -11.043 15.508 1.00 6.67 H new ATOM 0 HZ2 LYS A 58 2.734 -10.715 13.847 1.00 6.67 H new ATOM 0 HZ3 LYS A 58 3.018 -12.285 14.428 1.00 6.67 H new ATOM 992 N GLU A 59 3.103 -14.567 10.576 1.00 1.67 N ATOM 993 CA GLU A 59 1.816 -15.170 10.920 1.00 1.92 C ATOM 994 C GLU A 59 1.573 -16.333 9.961 1.00 1.98 C ATOM 995 O GLU A 59 1.304 -17.452 10.389 1.00 2.53 O ATOM 996 CB GLU A 59 0.628 -14.180 10.881 1.00 2.07 C ATOM 997 CG GLU A 59 0.909 -12.677 11.043 1.00 2.30 C ATOM 998 CD GLU A 59 1.480 -12.226 12.382 1.00 2.88 C ATOM 999 OE1 GLU A 59 1.941 -13.060 13.192 1.00 4.10 O ATOM 1000 OE2 GLU A 59 1.514 -10.990 12.615 1.00 3.40 O ATOM 0 H GLU A 59 3.109 -14.118 9.660 1.00 1.67 H new ATOM 0 HA GLU A 59 1.871 -15.508 11.955 1.00 1.92 H new ATOM 0 HB2 GLU A 59 0.114 -14.319 9.930 1.00 2.07 H new ATOM 0 HB3 GLU A 59 -0.070 -14.471 11.666 1.00 2.07 H new ATOM 0 HG2 GLU A 59 1.603 -12.374 10.258 1.00 2.30 H new ATOM 0 HG3 GLU A 59 -0.022 -12.137 10.871 1.00 2.30 H new ATOM 1007 N ASN A 60 1.722 -16.074 8.658 1.00 1.69 N ATOM 1008 CA ASN A 60 1.435 -16.977 7.556 1.00 1.85 C ATOM 1009 C ASN A 60 2.562 -17.998 7.383 1.00 2.43 C ATOM 1010 O ASN A 60 2.983 -18.306 6.267 1.00 2.82 O ATOM 1011 CB ASN A 60 1.242 -16.135 6.286 1.00 1.75 C ATOM 1012 CG ASN A 60 0.001 -15.249 6.345 1.00 1.93 C ATOM 1013 OD1 ASN A 60 -1.032 -15.579 5.774 1.00 2.44 O ATOM 1014 ND2 ASN A 60 0.085 -14.103 7.017 1.00 2.14 N ATOM 0 H ASN A 60 2.068 -15.171 8.332 1.00 1.69 H new ATOM 0 HA ASN A 60 0.526 -17.542 7.760 1.00 1.85 H new ATOM 0 HB2 ASN A 60 2.122 -15.510 6.133 1.00 1.75 H new ATOM 0 HB3 ASN A 60 1.168 -16.798 5.424 1.00 1.75 H new ATOM 0 HD21 ASN A 60 -0.721 -13.479 7.064 1.00 2.14 H new ATOM 0 HD22 ASN A 60 0.955 -13.849 7.485 1.00 2.14 H new ATOM 1021 N LYS A 61 3.058 -18.535 8.497 1.00 2.92 N ATOM 1022 CA LYS A 61 4.001 -19.627 8.477 1.00 3.76 C ATOM 1023 C LYS A 61 3.234 -20.896 8.143 1.00 4.26 C ATOM 1024 O LYS A 61 2.553 -21.486 8.978 1.00 4.40 O ATOM 1025 CB LYS A 61 4.728 -19.717 9.816 1.00 4.35 C ATOM 1026 CG LYS A 61 3.829 -19.614 11.062 1.00 4.42 C ATOM 1027 CD LYS A 61 4.151 -18.382 11.912 1.00 4.62 C ATOM 1028 CE LYS A 61 3.193 -18.331 13.114 1.00 5.41 C ATOM 1029 NZ LYS A 61 3.491 -17.204 14.019 1.00 6.25 N ATOM 0 H LYS A 61 2.810 -18.217 9.434 1.00 2.92 H new ATOM 0 HA LYS A 61 4.770 -19.472 7.720 1.00 3.76 H new ATOM 0 HB2 LYS A 61 5.267 -20.663 9.855 1.00 4.35 H new ATOM 0 HB3 LYS A 61 5.474 -18.923 9.860 1.00 4.35 H new ATOM 0 HG2 LYS A 61 2.785 -19.575 10.751 1.00 4.42 H new ATOM 0 HG3 LYS A 61 3.948 -20.512 11.668 1.00 4.42 H new ATOM 0 HD2 LYS A 61 5.184 -18.424 12.257 1.00 4.62 H new ATOM 0 HD3 LYS A 61 4.051 -17.476 11.314 1.00 4.62 H new ATOM 0 HE2 LYS A 61 2.167 -18.245 12.755 1.00 5.41 H new ATOM 0 HE3 LYS A 61 3.259 -19.267 13.669 1.00 5.41 H new ATOM 0 HZ1 LYS A 61 2.602 -16.758 14.322 1.00 6.25 H new ATOM 0 HZ2 LYS A 61 4.004 -17.555 14.853 1.00 6.25 H new ATOM 0 HZ3 LYS A 61 4.077 -16.504 13.521 1.00 6.25 H new ATOM 1043 N THR A 62 3.409 -21.284 6.889 1.00 5.12 N ATOM 1044 CA THR A 62 2.660 -22.324 6.203 1.00 6.00 C ATOM 1045 C THR A 62 3.533 -22.811 5.051 1.00 6.72 C ATOM 1046 O THR A 62 3.833 -24.000 4.929 1.00 7.23 O ATOM 1047 CB THR A 62 1.310 -21.771 5.696 1.00 6.71 C ATOM 1048 OG1 THR A 62 0.647 -21.041 6.708 1.00 6.86 O ATOM 1049 CG2 THR A 62 0.394 -22.906 5.228 1.00 7.72 C ATOM 0 H THR A 62 4.116 -20.858 6.290 1.00 5.12 H new ATOM 0 HA THR A 62 2.426 -23.151 6.874 1.00 6.00 H new ATOM 0 HB THR A 62 1.529 -21.110 4.857 1.00 6.71 H new ATOM 0 HG1 THR A 62 -0.204 -20.700 6.361 1.00 6.86 H new ATOM 0 HG21 THR A 62 -0.550 -22.490 4.876 1.00 7.72 H new ATOM 0 HG22 THR A 62 0.876 -23.451 4.416 1.00 7.72 H new ATOM 0 HG23 THR A 62 0.204 -23.586 6.058 1.00 7.72 H new ATOM 1057 N LYS A 63 3.968 -21.873 4.202 1.00 7.16 N ATOM 1058 CA LYS A 63 4.972 -22.137 3.180 1.00 8.26 C ATOM 1059 C LYS A 63 5.863 -20.919 2.914 1.00 8.46 C ATOM 1060 O LYS A 63 6.715 -20.965 2.031 1.00 9.66 O ATOM 1061 CB LYS A 63 4.271 -22.651 1.912 1.00 9.02 C ATOM 1062 CG LYS A 63 5.145 -23.511 0.977 1.00 10.28 C ATOM 1063 CD LYS A 63 5.854 -24.742 1.583 1.00 11.23 C ATOM 1064 CE LYS A 63 4.970 -25.957 1.913 1.00 11.26 C ATOM 1065 NZ LYS A 63 3.913 -25.687 2.910 1.00 10.25 N ATOM 0 H LYS A 63 3.630 -20.911 4.209 1.00 7.16 H new ATOM 0 HA LYS A 63 5.652 -22.911 3.538 1.00 8.26 H new ATOM 0 HB2 LYS A 63 3.402 -23.237 2.210 1.00 9.02 H new ATOM 0 HB3 LYS A 63 3.900 -21.794 1.349 1.00 9.02 H new ATOM 0 HG2 LYS A 63 4.517 -23.857 0.156 1.00 10.28 H new ATOM 0 HG3 LYS A 63 5.908 -22.865 0.544 1.00 10.28 H new ATOM 0 HD2 LYS A 63 6.629 -25.064 0.888 1.00 11.23 H new ATOM 0 HD3 LYS A 63 6.357 -24.429 2.498 1.00 11.23 H new ATOM 0 HE2 LYS A 63 4.504 -26.313 0.994 1.00 11.26 H new ATOM 0 HE3 LYS A 63 5.604 -26.763 2.282 1.00 11.26 H new ATOM 0 HZ1 LYS A 63 3.818 -26.505 3.545 1.00 10.25 H new ATOM 0 HZ2 LYS A 63 4.167 -24.845 3.466 1.00 10.25 H new ATOM 0 HZ3 LYS A 63 3.010 -25.520 2.422 1.00 10.25 H new ATOM 1079 N GLY A 64 5.726 -19.847 3.705 1.00 7.52 N ATOM 1080 CA GLY A 64 6.629 -18.705 3.626 1.00 8.03 C ATOM 1081 C GLY A 64 7.930 -19.047 4.346 1.00 8.42 C ATOM 1082 O GLY A 64 8.241 -18.430 5.368 1.00 8.56 O ATOM 0 H GLY A 64 4.993 -19.752 4.408 1.00 7.52 H new ATOM 0 HA2 GLY A 64 6.830 -18.456 2.584 1.00 8.03 H new ATOM 0 HA3 GLY A 64 6.167 -17.828 4.080 1.00 8.03 H new ATOM 1086 N GLU A 65 8.634 -20.061 3.829 1.00 9.09 N ATOM 1087 CA GLU A 65 9.751 -20.777 4.438 1.00 9.97 C ATOM 1088 C GLU A 65 9.683 -20.740 5.976 1.00 9.67 C ATOM 1089 O GLU A 65 10.429 -19.992 6.614 1.00 10.10 O ATOM 1090 CB GLU A 65 11.116 -20.362 3.844 1.00 11.52 C ATOM 1091 CG GLU A 65 11.057 -19.562 2.527 1.00 12.27 C ATOM 1092 CD GLU A 65 10.886 -18.084 2.827 1.00 12.69 C ATOM 1093 OE1 GLU A 65 11.809 -17.522 3.457 1.00 13.21 O ATOM 1094 OE2 GLU A 65 9.775 -17.535 2.654 1.00 12.57 O ATOM 0 H GLU A 65 8.417 -20.427 2.902 1.00 9.09 H new ATOM 0 HA GLU A 65 9.652 -21.830 4.173 1.00 9.97 H new ATOM 0 HB2 GLU A 65 11.648 -19.767 4.586 1.00 11.52 H new ATOM 0 HB3 GLU A 65 11.707 -21.262 3.675 1.00 11.52 H new ATOM 0 HG2 GLU A 65 11.970 -19.722 1.953 1.00 12.27 H new ATOM 0 HG3 GLU A 65 10.228 -19.916 1.913 1.00 12.27 H new ATOM 1101 N PRO A 66 8.747 -21.489 6.588 1.00 9.44 N ATOM 1102 CA PRO A 66 8.578 -21.541 8.033 1.00 9.87 C ATOM 1103 C PRO A 66 9.664 -22.455 8.609 1.00 10.90 C ATOM 1104 O PRO A 66 9.365 -23.490 9.203 1.00 11.49 O ATOM 1105 CB PRO A 66 7.162 -22.096 8.217 1.00 9.96 C ATOM 1106 CG PRO A 66 7.016 -23.068 7.049 1.00 9.88 C ATOM 1107 CD PRO A 66 7.786 -22.365 5.931 1.00 9.38 C ATOM 0 HA PRO A 66 8.681 -20.585 8.547 1.00 9.87 H new ATOM 0 HB2 PRO A 66 7.048 -22.600 9.177 1.00 9.96 H new ATOM 0 HB3 PRO A 66 6.412 -21.306 8.180 1.00 9.96 H new ATOM 0 HG2 PRO A 66 7.439 -24.046 7.280 1.00 9.88 H new ATOM 0 HG3 PRO A 66 5.971 -23.228 6.783 1.00 9.88 H new ATOM 0 HD2 PRO A 66 8.292 -23.089 5.292 1.00 9.38 H new ATOM 0 HD3 PRO A 66 7.111 -21.794 5.293 1.00 9.38 H new ATOM 1115 N GLY A 67 10.921 -22.056 8.418 1.00 11.49 N ATOM 1116 CA GLY A 67 12.050 -22.965 8.473 1.00 12.79 C ATOM 1117 C GLY A 67 12.234 -23.567 7.076 1.00 13.04 C ATOM 1118 O GLY A 67 13.143 -24.378 6.914 1.00 14.16 O ATOM 0 H GLY A 67 11.179 -21.089 8.221 1.00 11.49 H new ATOM 0 HA2 GLY A 67 12.951 -22.436 8.783 1.00 12.79 H new ATOM 0 HA3 GLY A 67 11.873 -23.751 9.207 1.00 12.79 H new TER 1122 GLY A 67