USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 585 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 Single : A 4 LYS NZ :NH3+ -120:sc=-0.00159 (180deg=-0.251) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 176:sc= -6.35! USER MOD Single : A 10 MET CE :methyl -131:sc= -21.5! (180deg=-24.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 143:sc= -1.62! (180deg=-3.51!) USER MOD Single : A 20 THR OG1 : rot -133:sc= -1.47! USER MOD Single : A 22 LYS NZ :NH3+ -151:sc= -0.541 (180deg=-1.18) USER MOD Single : A 23 THR OG1 : rot 99:sc= 0.0123 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -141:sc= -1.26 (180deg=-3.3!) USER MOD Single : A 32 TYR OH : rot -108:sc= 0.513 USER MOD Single : A 33 HIS : no HD1:sc= -6.3! C(o=-6.3!,f=-9.6!) USER MOD Single : A 37 SER OG : rot -90:sc= -5.62! USER MOD Single : A 38 LYS NZ :NH3+ -118:sc= -0.0105 (180deg=-0.229) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -54:sc= 1.08 USER MOD Single : A 60 GLN : amide:sc= -1.47 K(o=-1.5,f=-6!) USER MOD Single : A 65 TYR OH : rot -124:sc= -6.21! USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 68 MET CE :methyl -146:sc= -20.4! (180deg=-30!) USER MOD Single : A 70 GLN : amide:sc= -0.0135 X(o=-0.014,f=0.066) USER MOD Single : A 71 HIS : no HD1:sc= -7.61! C(o=-7.6!,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 4.077 -0.762 -4.925 1.00 14.23 N ATOM 2 CA GLU A 2 3.059 -0.160 -5.837 1.00 35.43 C ATOM 3 C GLU A 2 3.778 0.548 -6.982 1.00 50.51 C ATOM 4 O GLU A 2 4.811 1.161 -6.793 1.00 41.33 O ATOM 5 CB GLU A 2 2.252 0.838 -4.990 1.00 40.23 C ATOM 6 CG GLU A 2 3.121 1.408 -3.863 1.00 12.15 C ATOM 7 CD GLU A 2 4.313 2.147 -4.469 1.00 44.24 C ATOM 8 OE1 GLU A 2 4.145 3.295 -4.844 1.00 24.41 O ATOM 9 OE2 GLU A 2 5.374 1.550 -4.550 1.00 52.23 O ATOM 0 HA GLU A 2 2.396 -0.909 -6.271 1.00 35.43 H new ATOM 0 HB2 GLU A 2 1.886 1.648 -5.621 1.00 40.23 H new ATOM 0 HB3 GLU A 2 1.377 0.343 -4.568 1.00 40.23 H new ATOM 0 HG2 GLU A 2 2.534 2.087 -3.244 1.00 12.15 H new ATOM 0 HG3 GLU A 2 3.468 0.604 -3.214 1.00 12.15 H new ATOM 16 N LEU A 3 3.260 0.446 -8.175 1.00 51.45 N ATOM 17 CA LEU A 3 3.944 1.089 -9.328 1.00 4.33 C ATOM 18 C LEU A 3 3.395 2.455 -9.658 1.00 22.15 C ATOM 19 O LEU A 3 2.204 2.674 -9.707 1.00 71.22 O ATOM 20 CB LEU A 3 3.741 0.159 -10.527 1.00 53.10 C ATOM 21 CG LEU A 3 4.959 0.270 -11.480 1.00 24.22 C ATOM 22 CD1 LEU A 3 4.664 1.224 -12.576 1.00 10.40 C ATOM 23 CD2 LEU A 3 6.151 0.891 -10.784 1.00 25.13 C ATOM 0 H LEU A 3 2.398 -0.052 -8.399 1.00 51.45 H new ATOM 0 HA LEU A 3 4.995 1.237 -9.079 1.00 4.33 H new ATOM 0 HB2 LEU A 3 3.625 -0.870 -10.187 1.00 53.10 H new ATOM 0 HB3 LEU A 3 2.826 0.425 -11.056 1.00 53.10 H new ATOM 0 HG LEU A 3 5.162 -0.743 -11.826 1.00 24.22 H new ATOM 0 HD11 LEU A 3 5.526 1.294 -13.239 1.00 10.40 H new ATOM 0 HD12 LEU A 3 3.800 0.874 -13.140 1.00 10.40 H new ATOM 0 HD13 LEU A 3 4.449 2.206 -12.155 1.00 10.40 H new ATOM 0 HD21 LEU A 3 6.987 0.954 -11.481 1.00 25.13 H new ATOM 0 HD22 LEU A 3 5.890 1.892 -10.439 1.00 25.13 H new ATOM 0 HD23 LEU A 3 6.435 0.275 -9.931 1.00 25.13 H new ATOM 35 N LYS A 4 4.271 3.372 -9.936 1.00 62.40 N ATOM 36 CA LYS A 4 3.822 4.704 -10.326 1.00 32.53 C ATOM 37 C LYS A 4 3.315 4.628 -11.747 1.00 72.25 C ATOM 38 O LYS A 4 3.556 3.676 -12.450 1.00 50.23 O ATOM 39 CB LYS A 4 5.060 5.587 -10.237 1.00 0.41 C ATOM 40 CG LYS A 4 4.841 6.633 -9.153 1.00 21.03 C ATOM 41 CD LYS A 4 4.857 8.028 -9.772 1.00 74.51 C ATOM 42 CE LYS A 4 4.892 9.062 -8.650 1.00 43.51 C ATOM 43 NZ LYS A 4 3.512 9.071 -8.093 1.00 70.24 N ATOM 0 H LYS A 4 5.282 3.243 -9.906 1.00 62.40 H new ATOM 0 HA LYS A 4 3.021 5.096 -9.699 1.00 32.53 H new ATOM 0 HB2 LYS A 4 5.938 4.983 -10.007 1.00 0.41 H new ATOM 0 HB3 LYS A 4 5.248 6.071 -11.196 1.00 0.41 H new ATOM 0 HG2 LYS A 4 3.889 6.458 -8.653 1.00 21.03 H new ATOM 0 HG3 LYS A 4 5.619 6.553 -8.394 1.00 21.03 H new ATOM 0 HD2 LYS A 4 5.726 8.144 -10.420 1.00 74.51 H new ATOM 0 HD3 LYS A 4 3.974 8.175 -10.394 1.00 74.51 H new ATOM 0 HE2 LYS A 4 5.624 8.793 -7.888 1.00 43.51 H new ATOM 0 HE3 LYS A 4 5.172 10.045 -9.028 1.00 43.51 H new ATOM 0 HZ1 LYS A 4 3.104 10.023 -8.191 1.00 70.24 H new ATOM 0 HZ2 LYS A 4 2.924 8.387 -8.611 1.00 70.24 H new ATOM 0 HZ3 LYS A 4 3.542 8.810 -7.087 1.00 70.24 H new ATOM 57 N ASP A 5 2.625 5.601 -12.201 1.00 12.42 N ATOM 58 CA ASP A 5 2.176 5.511 -13.592 1.00 14.24 C ATOM 59 C ASP A 5 2.931 6.559 -14.380 1.00 65.13 C ATOM 60 O ASP A 5 2.369 7.443 -14.973 1.00 12.23 O ATOM 61 CB ASP A 5 0.682 5.785 -13.542 1.00 45.22 C ATOM 62 CG ASP A 5 0.422 7.056 -12.732 1.00 31.23 C ATOM 63 OD1 ASP A 5 0.938 8.095 -13.112 1.00 71.44 O ATOM 64 OD2 ASP A 5 -0.279 6.967 -11.738 1.00 52.34 O ATOM 0 H ASP A 5 2.354 6.440 -11.688 1.00 12.42 H new ATOM 0 HA ASP A 5 2.359 4.548 -14.068 1.00 14.24 H new ATOM 0 HB2 ASP A 5 0.289 5.898 -14.552 1.00 45.22 H new ATOM 0 HB3 ASP A 5 0.162 4.940 -13.090 1.00 45.22 H new ATOM 69 N TYR A 6 4.232 6.456 -14.376 1.00 21.41 N ATOM 70 CA TYR A 6 5.070 7.432 -15.113 1.00 0.13 C ATOM 71 C TYR A 6 4.522 7.678 -16.443 1.00 44.31 C ATOM 72 O TYR A 6 4.152 8.772 -16.805 1.00 63.22 O ATOM 73 CB TYR A 6 6.374 6.761 -15.300 1.00 24.31 C ATOM 74 CG TYR A 6 7.021 6.639 -13.991 1.00 74.43 C ATOM 75 CD1 TYR A 6 6.901 7.618 -13.009 1.00 13.43 C ATOM 76 CD2 TYR A 6 7.760 5.537 -13.782 1.00 3.12 C ATOM 77 CE1 TYR A 6 7.547 7.448 -11.809 1.00 20.44 C ATOM 78 CE2 TYR A 6 8.403 5.335 -12.595 1.00 42.23 C ATOM 79 CZ TYR A 6 8.307 6.294 -11.580 1.00 24.11 C ATOM 80 OH TYR A 6 8.959 6.111 -10.379 1.00 22.22 O ATOM 0 H TYR A 6 4.752 5.727 -13.887 1.00 21.41 H new ATOM 0 HA TYR A 6 5.129 8.376 -14.572 1.00 0.13 H new ATOM 0 HB2 TYR A 6 6.234 5.777 -15.747 1.00 24.31 H new ATOM 0 HB3 TYR A 6 7.002 7.335 -15.982 1.00 24.31 H new ATOM 0 HD1 TYR A 6 6.306 8.502 -13.189 1.00 13.43 H new ATOM 0 HD2 TYR A 6 7.847 4.799 -14.566 1.00 3.12 H new ATOM 0 HE1 TYR A 6 7.469 8.204 -11.042 1.00 20.44 H new ATOM 0 HE2 TYR A 6 8.984 4.438 -12.439 1.00 42.23 H new ATOM 0 HH TYR A 6 9.437 5.256 -10.393 1.00 22.22 H new ATOM 90 N TYR A 7 4.502 6.652 -17.198 1.00 3.34 N ATOM 91 CA TYR A 7 4.020 6.788 -18.539 1.00 41.14 C ATOM 92 C TYR A 7 2.793 7.608 -18.545 1.00 64.24 C ATOM 93 O TYR A 7 2.504 8.373 -19.441 1.00 70.12 O ATOM 94 CB TYR A 7 3.736 5.376 -18.994 1.00 12.44 C ATOM 95 CG TYR A 7 5.030 4.674 -19.145 1.00 14.32 C ATOM 96 CD1 TYR A 7 6.159 5.395 -19.520 1.00 23.11 C ATOM 97 CD2 TYR A 7 5.091 3.308 -18.965 1.00 74.23 C ATOM 98 CE1 TYR A 7 7.360 4.758 -19.710 1.00 2.14 C ATOM 99 CE2 TYR A 7 6.298 2.645 -19.172 1.00 65.23 C ATOM 100 CZ TYR A 7 7.441 3.370 -19.546 1.00 64.42 C ATOM 101 OH TYR A 7 8.633 2.717 -19.758 1.00 43.23 O ATOM 0 H TYR A 7 4.806 5.716 -16.930 1.00 3.34 H new ATOM 0 HA TYR A 7 4.733 7.283 -19.198 1.00 41.14 H new ATOM 0 HB2 TYR A 7 3.106 4.861 -18.268 1.00 12.44 H new ATOM 0 HB3 TYR A 7 3.194 5.382 -19.939 1.00 12.44 H new ATOM 0 HD1 TYR A 7 6.090 6.463 -19.663 1.00 23.11 H new ATOM 0 HD2 TYR A 7 4.211 2.758 -18.666 1.00 74.23 H new ATOM 0 HE1 TYR A 7 8.238 5.324 -19.984 1.00 2.14 H new ATOM 0 HE2 TYR A 7 6.355 1.574 -19.045 1.00 65.23 H new ATOM 0 HH TYR A 7 8.530 1.768 -19.538 1.00 43.23 H new ATOM 111 N ALA A 8 2.099 7.463 -17.521 1.00 44.34 N ATOM 112 CA ALA A 8 0.892 8.225 -17.378 1.00 40.44 C ATOM 113 C ALA A 8 1.286 9.619 -16.950 1.00 64.11 C ATOM 114 O ALA A 8 0.971 10.616 -17.569 1.00 13.41 O ATOM 115 CB ALA A 8 0.226 7.501 -16.235 1.00 14.44 C ATOM 0 H ALA A 8 2.315 6.833 -16.749 1.00 44.34 H new ATOM 0 HA ALA A 8 0.268 8.309 -18.268 1.00 40.44 H new ATOM 0 HB1 ALA A 8 -0.727 7.979 -16.007 1.00 14.44 H new ATOM 0 HB2 ALA A 8 0.053 6.462 -16.514 1.00 14.44 H new ATOM 0 HB3 ALA A 8 0.870 7.538 -15.356 1.00 14.44 H new ATOM 121 N ILE A 9 2.028 9.653 -15.891 1.00 42.43 N ATOM 122 CA ILE A 9 2.546 10.917 -15.359 1.00 60.14 C ATOM 123 C ILE A 9 3.050 11.754 -16.514 1.00 24.41 C ATOM 124 O ILE A 9 2.700 12.902 -16.702 1.00 3.33 O ATOM 125 CB ILE A 9 3.723 10.455 -14.520 1.00 3.13 C ATOM 126 CG1 ILE A 9 3.287 10.254 -13.094 1.00 53.33 C ATOM 127 CG2 ILE A 9 4.830 11.465 -14.555 1.00 41.44 C ATOM 128 CD1 ILE A 9 3.787 8.894 -12.691 1.00 23.14 C ATOM 0 H ILE A 9 2.302 8.827 -15.359 1.00 42.43 H new ATOM 0 HA ILE A 9 1.817 11.509 -14.806 1.00 60.14 H new ATOM 0 HB ILE A 9 4.087 9.514 -14.934 1.00 3.13 H new ATOM 0 HG12 ILE A 9 3.700 11.028 -12.448 1.00 53.33 H new ATOM 0 HG13 ILE A 9 2.202 10.312 -13.007 1.00 53.33 H new ATOM 0 HG21 ILE A 9 5.663 11.113 -13.947 1.00 41.44 H new ATOM 0 HG22 ILE A 9 5.164 11.603 -15.583 1.00 41.44 H new ATOM 0 HG23 ILE A 9 4.469 12.415 -14.160 1.00 41.44 H new ATOM 0 HD11 ILE A 9 3.499 8.691 -11.659 1.00 23.14 H new ATOM 0 HD12 ILE A 9 3.352 8.138 -13.344 1.00 23.14 H new ATOM 0 HD13 ILE A 9 4.873 8.866 -12.777 1.00 23.14 H new ATOM 140 N MET A 10 3.918 11.151 -17.260 1.00 53.43 N ATOM 141 CA MET A 10 4.542 11.824 -18.395 1.00 55.00 C ATOM 142 C MET A 10 3.637 11.808 -19.629 1.00 24.11 C ATOM 143 O MET A 10 4.035 12.149 -20.724 1.00 13.33 O ATOM 144 CB MET A 10 5.832 11.083 -18.535 1.00 25.22 C ATOM 145 CG MET A 10 5.635 9.695 -19.103 1.00 73.14 C ATOM 146 SD MET A 10 7.070 9.298 -20.117 1.00 14.31 S ATOM 147 CE MET A 10 8.368 10.080 -19.117 1.00 2.43 C ATOM 0 H MET A 10 4.224 10.189 -17.117 1.00 53.43 H new ATOM 0 HA MET A 10 4.714 12.892 -18.260 1.00 55.00 H new ATOM 0 HB2 MET A 10 6.504 11.646 -19.182 1.00 25.22 H new ATOM 0 HB3 MET A 10 6.315 11.010 -17.560 1.00 25.22 H new ATOM 0 HG2 MET A 10 5.523 8.967 -18.299 1.00 73.14 H new ATOM 0 HG3 MET A 10 4.724 9.653 -19.700 1.00 73.14 H new ATOM 0 HE1 MET A 10 8.997 10.699 -19.757 1.00 2.43 H new ATOM 0 HE2 MET A 10 7.910 10.702 -18.348 1.00 2.43 H new ATOM 0 HE3 MET A 10 8.978 9.309 -18.645 1.00 2.43 H new ATOM 157 N GLY A 11 2.404 11.443 -19.431 1.00 12.02 N ATOM 158 CA GLY A 11 1.421 11.430 -20.563 1.00 43.42 C ATOM 159 C GLY A 11 2.043 10.655 -21.702 1.00 45.22 C ATOM 160 O GLY A 11 2.585 11.211 -22.635 1.00 72.43 O ATOM 0 H GLY A 11 2.026 11.150 -18.530 1.00 12.02 H new ATOM 0 HA2 GLY A 11 0.485 10.967 -20.251 1.00 43.42 H new ATOM 0 HA3 GLY A 11 1.185 12.447 -20.876 1.00 43.42 H new ATOM 164 N VAL A 12 2.050 9.372 -21.576 1.00 22.13 N ATOM 165 CA VAL A 12 2.724 8.537 -22.569 1.00 15.21 C ATOM 166 C VAL A 12 2.032 7.193 -22.730 1.00 41.35 C ATOM 167 O VAL A 12 0.867 7.004 -22.439 1.00 20.42 O ATOM 168 CB VAL A 12 4.069 8.379 -21.876 1.00 51.42 C ATOM 169 CG1 VAL A 12 4.213 7.089 -21.154 1.00 52.20 C ATOM 170 CG2 VAL A 12 5.209 8.458 -22.771 1.00 3.11 C ATOM 0 H VAL A 12 1.608 8.862 -20.811 1.00 22.13 H new ATOM 0 HA VAL A 12 2.755 8.946 -23.579 1.00 15.21 H new ATOM 0 HB VAL A 12 4.071 9.220 -21.182 1.00 51.42 H new ATOM 0 HG11 VAL A 12 5.195 7.043 -20.683 1.00 52.20 H new ATOM 0 HG12 VAL A 12 3.440 7.012 -20.389 1.00 52.20 H new ATOM 0 HG13 VAL A 12 4.110 6.264 -21.859 1.00 52.20 H new ATOM 0 HG21 VAL A 12 6.129 8.336 -22.200 1.00 3.11 H new ATOM 0 HG22 VAL A 12 5.139 7.669 -23.520 1.00 3.11 H new ATOM 0 HG23 VAL A 12 5.216 9.429 -23.267 1.00 3.11 H new ATOM 180 N LYS A 13 2.802 6.275 -23.177 1.00 30.42 N ATOM 181 CA LYS A 13 2.343 4.883 -23.387 1.00 14.44 C ATOM 182 C LYS A 13 2.912 4.002 -22.272 1.00 5.01 C ATOM 183 O LYS A 13 4.011 4.236 -21.809 1.00 22.23 O ATOM 184 CB LYS A 13 2.994 4.535 -24.702 1.00 23.34 C ATOM 185 CG LYS A 13 2.007 4.695 -25.855 1.00 73.13 C ATOM 186 CD LYS A 13 1.556 6.143 -25.924 1.00 35.31 C ATOM 187 CE LYS A 13 2.262 6.848 -27.082 1.00 22.44 C ATOM 188 NZ LYS A 13 1.180 7.565 -27.813 1.00 73.50 N ATOM 0 H LYS A 13 3.780 6.430 -23.420 1.00 30.42 H new ATOM 0 HA LYS A 13 1.261 4.753 -23.385 1.00 14.44 H new ATOM 0 HB2 LYS A 13 3.859 5.178 -24.866 1.00 23.34 H new ATOM 0 HB3 LYS A 13 3.361 3.509 -24.671 1.00 23.34 H new ATOM 0 HG2 LYS A 13 2.475 4.402 -26.795 1.00 73.13 H new ATOM 0 HG3 LYS A 13 1.148 4.040 -25.709 1.00 73.13 H new ATOM 0 HD2 LYS A 13 0.476 6.191 -26.061 1.00 35.31 H new ATOM 0 HD3 LYS A 13 1.782 6.649 -24.985 1.00 35.31 H new ATOM 0 HE2 LYS A 13 3.020 7.542 -26.719 1.00 22.44 H new ATOM 0 HE3 LYS A 13 2.769 6.133 -27.730 1.00 22.44 H new ATOM 0 HZ1 LYS A 13 1.587 8.074 -28.624 1.00 73.50 H new ATOM 0 HZ2 LYS A 13 0.477 6.878 -28.153 1.00 73.50 H new ATOM 0 HZ3 LYS A 13 0.720 8.244 -27.173 1.00 73.50 H new ATOM 202 N PRO A 14 2.157 3.023 -21.872 1.00 1.02 N ATOM 203 CA PRO A 14 2.615 2.118 -20.795 1.00 72.00 C ATOM 204 C PRO A 14 3.650 1.116 -21.319 1.00 52.43 C ATOM 205 O PRO A 14 4.348 0.478 -20.556 1.00 32.14 O ATOM 206 CB PRO A 14 1.343 1.410 -20.359 1.00 12.11 C ATOM 207 CG PRO A 14 0.432 1.466 -21.548 1.00 33.21 C ATOM 208 CD PRO A 14 0.825 2.670 -22.369 1.00 72.40 C ATOM 0 HA PRO A 14 3.106 2.647 -19.979 1.00 72.00 H new ATOM 0 HB2 PRO A 14 1.546 0.380 -20.068 1.00 12.11 H new ATOM 0 HB3 PRO A 14 0.895 1.903 -19.496 1.00 12.11 H new ATOM 0 HG2 PRO A 14 0.518 0.555 -22.140 1.00 33.21 H new ATOM 0 HG3 PRO A 14 -0.608 1.542 -21.230 1.00 33.21 H new ATOM 0 HD2 PRO A 14 0.846 2.437 -23.434 1.00 72.40 H new ATOM 0 HD3 PRO A 14 0.120 3.490 -22.236 1.00 72.40 H new ATOM 216 N THR A 15 3.757 0.972 -22.611 1.00 32.21 N ATOM 217 CA THR A 15 4.749 0.008 -23.173 1.00 2.41 C ATOM 218 C THR A 15 5.535 0.665 -24.310 1.00 12.31 C ATOM 219 O THR A 15 5.938 0.017 -25.255 1.00 71.44 O ATOM 220 CB THR A 15 3.909 -1.155 -23.699 1.00 11.54 C ATOM 221 OG1 THR A 15 3.247 -0.755 -24.892 1.00 60.34 O ATOM 222 CG2 THR A 15 2.876 -1.550 -22.644 1.00 32.12 C ATOM 0 H THR A 15 3.203 1.478 -23.302 1.00 32.21 H new ATOM 0 HA THR A 15 5.479 -0.319 -22.432 1.00 2.41 H new ATOM 0 HB THR A 15 4.553 -2.008 -23.912 1.00 11.54 H new ATOM 0 HG1 THR A 15 2.709 -1.500 -25.233 1.00 60.34 H new ATOM 0 HG21 THR A 15 2.275 -2.380 -23.016 1.00 32.12 H new ATOM 0 HG22 THR A 15 3.387 -1.853 -21.730 1.00 32.12 H new ATOM 0 HG23 THR A 15 2.228 -0.699 -22.432 1.00 32.12 H new ATOM 230 N ASP A 16 5.750 1.949 -24.225 1.00 53.43 N ATOM 231 CA ASP A 16 6.505 2.653 -25.303 1.00 54.22 C ATOM 232 C ASP A 16 8.008 2.644 -25.027 1.00 32.12 C ATOM 233 O ASP A 16 8.490 1.963 -24.144 1.00 3.13 O ATOM 234 CB ASP A 16 5.987 4.077 -25.291 1.00 14.31 C ATOM 235 CG ASP A 16 5.378 4.377 -26.666 1.00 1.41 C ATOM 236 OD1 ASP A 16 5.825 3.775 -27.628 1.00 51.44 O ATOM 237 OD2 ASP A 16 4.478 5.192 -26.739 1.00 31.31 O ATOM 0 H ASP A 16 5.436 2.542 -23.457 1.00 53.43 H new ATOM 0 HA ASP A 16 6.361 2.164 -26.267 1.00 54.22 H new ATOM 0 HB2 ASP A 16 5.239 4.203 -24.508 1.00 14.31 H new ATOM 0 HB3 ASP A 16 6.796 4.774 -25.073 1.00 14.31 H new ATOM 242 N ASP A 17 8.742 3.418 -25.776 1.00 4.24 N ATOM 243 CA ASP A 17 10.214 3.495 -25.574 1.00 30.41 C ATOM 244 C ASP A 17 10.561 4.898 -25.096 1.00 61.24 C ATOM 245 O ASP A 17 9.685 5.681 -24.788 1.00 51.02 O ATOM 246 CB ASP A 17 10.824 3.228 -26.948 1.00 20.21 C ATOM 247 CG ASP A 17 11.338 1.789 -27.010 1.00 64.04 C ATOM 248 OD1 ASP A 17 11.322 1.130 -25.983 1.00 11.20 O ATOM 249 OD2 ASP A 17 11.738 1.371 -28.084 1.00 70.43 O ATOM 0 H ASP A 17 8.380 4.006 -26.527 1.00 4.24 H new ATOM 0 HA ASP A 17 10.584 2.784 -24.836 1.00 30.41 H new ATOM 0 HB2 ASP A 17 10.079 3.393 -27.726 1.00 20.21 H new ATOM 0 HB3 ASP A 17 11.641 3.925 -27.136 1.00 20.21 H new ATOM 254 N LEU A 18 11.812 5.239 -25.017 1.00 42.24 N ATOM 255 CA LEU A 18 12.138 6.600 -24.543 1.00 42.23 C ATOM 256 C LEU A 18 11.636 7.648 -25.536 1.00 51.43 C ATOM 257 O LEU A 18 11.337 8.766 -25.163 1.00 23.31 O ATOM 258 CB LEU A 18 13.667 6.659 -24.402 1.00 72.34 C ATOM 259 CG LEU A 18 14.109 7.005 -22.957 1.00 71.32 C ATOM 260 CD1 LEU A 18 15.144 8.133 -23.007 1.00 50.31 C ATOM 261 CD2 LEU A 18 12.945 7.501 -22.110 1.00 10.25 C ATOM 0 H LEU A 18 12.607 4.646 -25.255 1.00 42.24 H new ATOM 0 HA LEU A 18 11.654 6.814 -23.590 1.00 42.23 H new ATOM 0 HB2 LEU A 18 14.094 5.699 -24.691 1.00 72.34 H new ATOM 0 HB3 LEU A 18 14.065 7.405 -25.090 1.00 72.34 H new ATOM 0 HG LEU A 18 14.514 6.095 -22.514 1.00 71.32 H new ATOM 0 HD11 LEU A 18 15.460 8.382 -21.994 1.00 50.31 H new ATOM 0 HD12 LEU A 18 16.008 7.809 -23.587 1.00 50.31 H new ATOM 0 HD13 LEU A 18 14.702 9.012 -23.476 1.00 50.31 H new ATOM 0 HD21 LEU A 18 13.299 7.732 -21.105 1.00 10.25 H new ATOM 0 HD22 LEU A 18 12.523 8.399 -22.562 1.00 10.25 H new ATOM 0 HD23 LEU A 18 12.179 6.728 -22.056 1.00 10.25 H new ATOM 273 N LYS A 19 11.538 7.309 -26.794 1.00 4.32 N ATOM 274 CA LYS A 19 11.052 8.312 -27.780 1.00 54.30 C ATOM 275 C LYS A 19 9.668 8.790 -27.351 1.00 54.44 C ATOM 276 O LYS A 19 9.408 9.977 -27.273 1.00 13.41 O ATOM 277 CB LYS A 19 10.977 7.564 -29.110 1.00 45.14 C ATOM 278 CG LYS A 19 12.370 7.479 -29.732 1.00 72.22 C ATOM 279 CD LYS A 19 12.403 8.320 -31.008 1.00 12.10 C ATOM 280 CE LYS A 19 11.683 7.573 -32.133 1.00 74.32 C ATOM 281 NZ LYS A 19 10.282 8.080 -32.097 1.00 73.14 N ATOM 0 H LYS A 19 11.771 6.392 -27.176 1.00 4.32 H new ATOM 0 HA LYS A 19 11.699 9.186 -27.855 1.00 54.30 H new ATOM 0 HB2 LYS A 19 10.577 6.562 -28.953 1.00 45.14 H new ATOM 0 HB3 LYS A 19 10.296 8.077 -29.789 1.00 45.14 H new ATOM 0 HG2 LYS A 19 13.119 7.838 -29.026 1.00 72.22 H new ATOM 0 HG3 LYS A 19 12.617 6.442 -29.959 1.00 72.22 H new ATOM 0 HD2 LYS A 19 11.925 9.284 -30.833 1.00 12.10 H new ATOM 0 HD3 LYS A 19 13.435 8.524 -31.295 1.00 12.10 H new ATOM 0 HE2 LYS A 19 12.149 7.769 -33.099 1.00 74.32 H new ATOM 0 HE3 LYS A 19 11.717 6.495 -31.976 1.00 74.32 H new ATOM 0 HZ1 LYS A 19 9.917 8.160 -33.067 1.00 73.14 H new ATOM 0 HZ2 LYS A 19 9.688 7.419 -31.557 1.00 73.14 H new ATOM 0 HZ3 LYS A 19 10.263 9.015 -31.642 1.00 73.14 H new ATOM 295 N THR A 20 8.793 7.880 -27.014 1.00 52.43 N ATOM 296 CA THR A 20 7.452 8.304 -26.532 1.00 11.10 C ATOM 297 C THR A 20 7.633 8.925 -25.172 1.00 61.41 C ATOM 298 O THR A 20 7.143 9.997 -24.884 1.00 33.33 O ATOM 299 CB THR A 20 6.619 7.029 -26.365 1.00 71.14 C ATOM 300 OG1 THR A 20 6.085 6.635 -27.619 1.00 11.14 O ATOM 301 CG2 THR A 20 5.485 7.268 -25.368 1.00 1.42 C ATOM 0 H THR A 20 8.949 6.873 -27.052 1.00 52.43 H new ATOM 0 HA THR A 20 6.976 9.006 -27.217 1.00 11.10 H new ATOM 0 HB THR A 20 7.261 6.235 -25.984 1.00 71.14 H new ATOM 0 HG1 THR A 20 5.135 6.416 -27.516 1.00 11.14 H new ATOM 0 HG21 THR A 20 4.900 6.355 -25.257 1.00 1.42 H new ATOM 0 HG22 THR A 20 5.903 7.550 -24.402 1.00 1.42 H new ATOM 0 HG23 THR A 20 4.842 8.069 -25.733 1.00 1.42 H new ATOM 309 N ILE A 21 8.298 8.218 -24.312 1.00 25.40 N ATOM 310 CA ILE A 21 8.463 8.725 -22.959 1.00 12.22 C ATOM 311 C ILE A 21 8.979 10.153 -22.961 1.00 71.33 C ATOM 312 O ILE A 21 8.333 11.022 -22.436 1.00 52.33 O ATOM 313 CB ILE A 21 9.443 7.808 -22.325 1.00 33.21 C ATOM 314 CG1 ILE A 21 8.809 6.435 -22.191 1.00 33.13 C ATOM 315 CG2 ILE A 21 9.777 8.358 -20.951 1.00 60.01 C ATOM 316 CD1 ILE A 21 9.859 5.478 -21.676 1.00 72.21 C ATOM 0 H ILE A 21 8.729 7.313 -24.500 1.00 25.40 H new ATOM 0 HA ILE A 21 7.516 8.753 -22.420 1.00 12.22 H new ATOM 0 HB ILE A 21 10.350 7.728 -22.924 1.00 33.21 H new ATOM 0 HG12 ILE A 21 7.961 6.473 -21.507 1.00 33.13 H new ATOM 0 HG13 ILE A 21 8.427 6.097 -23.154 1.00 33.13 H new ATOM 0 HG21 ILE A 21 10.497 7.702 -20.462 1.00 60.01 H new ATOM 0 HG22 ILE A 21 10.205 9.355 -21.053 1.00 60.01 H new ATOM 0 HG23 ILE A 21 8.869 8.413 -20.350 1.00 60.01 H new ATOM 0 HD11 ILE A 21 9.425 4.484 -21.572 1.00 72.21 H new ATOM 0 HD12 ILE A 21 10.692 5.439 -22.378 1.00 72.21 H new ATOM 0 HD13 ILE A 21 10.219 5.820 -20.706 1.00 72.21 H new ATOM 328 N LYS A 22 10.117 10.442 -23.537 1.00 30.42 N ATOM 329 CA LYS A 22 10.530 11.863 -23.493 1.00 20.32 C ATOM 330 C LYS A 22 9.543 12.666 -24.288 1.00 63.30 C ATOM 331 O LYS A 22 9.154 13.725 -23.882 1.00 42.23 O ATOM 332 CB LYS A 22 11.919 12.012 -24.066 1.00 12.23 C ATOM 333 CG LYS A 22 12.509 13.279 -23.446 1.00 34.41 C ATOM 334 CD LYS A 22 14.021 13.190 -23.372 1.00 62.14 C ATOM 335 CE LYS A 22 14.521 13.849 -22.092 1.00 21.41 C ATOM 336 NZ LYS A 22 14.682 15.291 -22.426 1.00 11.13 N ATOM 0 H LYS A 22 10.744 9.792 -24.010 1.00 30.42 H new ATOM 0 HA LYS A 22 10.549 12.220 -22.463 1.00 20.32 H new ATOM 0 HB2 LYS A 22 12.532 11.142 -23.829 1.00 12.23 H new ATOM 0 HB3 LYS A 22 11.884 12.091 -25.153 1.00 12.23 H new ATOM 0 HG2 LYS A 22 12.220 14.147 -24.038 1.00 34.41 H new ATOM 0 HG3 LYS A 22 12.100 13.424 -22.446 1.00 34.41 H new ATOM 0 HD2 LYS A 22 14.334 12.146 -23.399 1.00 62.14 H new ATOM 0 HD3 LYS A 22 14.465 13.678 -24.239 1.00 62.14 H new ATOM 0 HE2 LYS A 22 13.811 13.712 -21.276 1.00 21.41 H new ATOM 0 HE3 LYS A 22 15.466 13.413 -21.769 1.00 21.41 H new ATOM 0 HZ1 LYS A 22 15.435 15.702 -21.837 1.00 11.13 H new ATOM 0 HZ2 LYS A 22 14.935 15.389 -23.430 1.00 11.13 H new ATOM 0 HZ3 LYS A 22 13.789 15.791 -22.244 1.00 11.13 H new ATOM 350 N THR A 23 9.058 12.170 -25.392 1.00 52.14 N ATOM 351 CA THR A 23 8.035 12.963 -26.084 1.00 12.32 C ATOM 352 C THR A 23 7.014 13.307 -25.015 1.00 42.23 C ATOM 353 O THR A 23 6.546 14.415 -24.931 1.00 14.14 O ATOM 354 CB THR A 23 7.427 12.046 -27.137 1.00 4.12 C ATOM 355 OG1 THR A 23 7.960 12.360 -28.417 1.00 71.33 O ATOM 356 CG2 THR A 23 5.924 12.260 -27.133 1.00 32.41 C ATOM 0 H THR A 23 9.320 11.284 -25.823 1.00 52.14 H new ATOM 0 HA THR A 23 8.406 13.869 -26.563 1.00 12.32 H new ATOM 0 HB THR A 23 7.660 11.005 -26.914 1.00 4.12 H new ATOM 0 HG1 THR A 23 8.679 11.731 -28.635 1.00 71.33 H new ATOM 0 HG21 THR A 23 5.463 11.614 -27.880 1.00 32.41 H new ATOM 0 HG22 THR A 23 5.525 12.019 -26.148 1.00 32.41 H new ATOM 0 HG23 THR A 23 5.704 13.301 -27.368 1.00 32.41 H new ATOM 364 N ALA A 24 6.725 12.326 -24.182 1.00 73.03 N ATOM 365 CA ALA A 24 5.770 12.516 -23.060 1.00 74.12 C ATOM 366 C ALA A 24 6.371 13.404 -21.978 1.00 61.45 C ATOM 367 O ALA A 24 5.862 14.455 -21.679 1.00 60.10 O ATOM 368 CB ALA A 24 5.609 11.123 -22.481 1.00 40.15 C ATOM 0 H ALA A 24 7.124 11.389 -24.243 1.00 73.03 H new ATOM 0 HA ALA A 24 4.841 12.978 -23.396 1.00 74.12 H new ATOM 0 HB1 ALA A 24 4.917 11.156 -21.639 1.00 40.15 H new ATOM 0 HB2 ALA A 24 5.217 10.454 -23.247 1.00 40.15 H new ATOM 0 HB3 ALA A 24 6.577 10.757 -22.140 1.00 40.15 H new ATOM 374 N TYR A 25 7.457 12.965 -21.393 1.00 61.51 N ATOM 375 CA TYR A 25 8.110 13.741 -20.305 1.00 21.53 C ATOM 376 C TYR A 25 8.657 15.049 -20.815 1.00 33.01 C ATOM 377 O TYR A 25 8.825 15.982 -20.081 1.00 63.41 O ATOM 378 CB TYR A 25 9.273 12.862 -19.810 1.00 41.13 C ATOM 379 CG TYR A 25 10.448 13.728 -19.389 1.00 21.43 C ATOM 380 CD1 TYR A 25 11.272 14.301 -20.357 1.00 70.40 C ATOM 381 CD2 TYR A 25 10.679 13.985 -18.040 1.00 73.43 C ATOM 382 CE1 TYR A 25 12.337 15.126 -19.962 1.00 30.12 C ATOM 383 CE2 TYR A 25 11.731 14.808 -17.639 1.00 64.33 C ATOM 384 CZ TYR A 25 12.566 15.381 -18.602 1.00 71.13 C ATOM 385 OH TYR A 25 13.611 16.197 -18.216 1.00 1.12 O ATOM 0 H TYR A 25 7.922 12.089 -21.630 1.00 61.51 H new ATOM 0 HA TYR A 25 7.395 13.977 -19.517 1.00 21.53 H new ATOM 0 HB2 TYR A 25 8.944 12.251 -18.970 1.00 41.13 H new ATOM 0 HB3 TYR A 25 9.582 12.177 -20.600 1.00 41.13 H new ATOM 0 HD1 TYR A 25 11.092 14.111 -21.405 1.00 70.40 H new ATOM 0 HD2 TYR A 25 10.035 13.541 -17.295 1.00 73.43 H new ATOM 0 HE1 TYR A 25 12.982 15.566 -20.708 1.00 30.12 H new ATOM 0 HE2 TYR A 25 11.899 15.001 -16.590 1.00 64.33 H new ATOM 0 HH TYR A 25 13.627 16.268 -17.239 1.00 1.12 H new ATOM 395 N ARG A 26 8.972 15.119 -22.043 1.00 23.45 N ATOM 396 CA ARG A 26 9.540 16.382 -22.544 1.00 14.50 C ATOM 397 C ARG A 26 8.400 17.334 -22.776 1.00 21.42 C ATOM 398 O ARG A 26 8.426 18.470 -22.354 1.00 22.43 O ATOM 399 CB ARG A 26 10.293 16.034 -23.813 1.00 74.33 C ATOM 400 CG ARG A 26 11.510 16.936 -23.918 1.00 12.00 C ATOM 401 CD ARG A 26 11.604 17.496 -25.332 1.00 71.41 C ATOM 402 NE ARG A 26 12.073 16.352 -26.162 1.00 31.23 N ATOM 403 CZ ARG A 26 13.335 16.246 -26.473 1.00 32.51 C ATOM 404 NH1 ARG A 26 14.010 17.307 -26.816 1.00 31.51 N ATOM 405 NH2 ARG A 26 13.921 15.080 -26.441 1.00 3.50 N ATOM 0 H ARG A 26 8.868 14.371 -22.729 1.00 23.45 H new ATOM 0 HA ARG A 26 10.229 16.865 -21.851 1.00 14.50 H new ATOM 0 HB2 ARG A 26 10.598 14.988 -23.797 1.00 74.33 H new ATOM 0 HB3 ARG A 26 9.649 16.165 -24.683 1.00 74.33 H new ATOM 0 HG2 ARG A 26 11.436 17.750 -23.197 1.00 12.00 H new ATOM 0 HG3 ARG A 26 12.413 16.376 -23.676 1.00 12.00 H new ATOM 0 HD2 ARG A 26 10.638 17.865 -25.677 1.00 71.41 H new ATOM 0 HD3 ARG A 26 12.301 18.333 -25.381 1.00 71.41 H new ATOM 0 HE ARG A 26 11.407 15.651 -26.487 1.00 31.23 H new ATOM 0 HH11 ARG A 26 13.551 18.218 -26.841 1.00 31.51 H new ATOM 0 HH12 ARG A 26 14.997 17.227 -27.060 1.00 31.51 H new ATOM 0 HH21 ARG A 26 13.392 14.250 -26.173 1.00 3.50 H new ATOM 0 HH22 ARG A 26 14.908 14.998 -26.685 1.00 3.50 H new ATOM 419 N ARG A 27 7.353 16.847 -23.362 1.00 13.00 N ATOM 420 CA ARG A 27 6.172 17.712 -23.525 1.00 13.21 C ATOM 421 C ARG A 27 5.657 17.919 -22.122 1.00 33.32 C ATOM 422 O ARG A 27 5.271 19.001 -21.740 1.00 44.34 O ATOM 423 CB ARG A 27 5.171 16.937 -24.390 1.00 75.42 C ATOM 424 CG ARG A 27 4.738 15.645 -23.684 1.00 63.15 C ATOM 425 CD ARG A 27 3.668 14.946 -24.504 1.00 53.31 C ATOM 426 NE ARG A 27 2.439 15.761 -24.307 1.00 44.12 N ATOM 427 CZ ARG A 27 1.399 15.568 -25.068 1.00 30.10 C ATOM 428 NH1 ARG A 27 0.735 14.449 -24.990 1.00 11.14 N ATOM 429 NH2 ARG A 27 1.022 16.494 -25.907 1.00 21.10 N ATOM 0 H ARG A 27 7.266 15.900 -23.730 1.00 13.00 H new ATOM 0 HA ARG A 27 6.365 18.672 -24.004 1.00 13.21 H new ATOM 0 HB2 ARG A 27 4.298 17.558 -24.592 1.00 75.42 H new ATOM 0 HB3 ARG A 27 5.622 16.698 -25.353 1.00 75.42 H new ATOM 0 HG2 ARG A 27 5.596 14.986 -23.552 1.00 63.15 H new ATOM 0 HG3 ARG A 27 4.356 15.874 -22.689 1.00 63.15 H new ATOM 0 HD2 ARG A 27 3.946 14.899 -25.557 1.00 53.31 H new ATOM 0 HD3 ARG A 27 3.520 13.920 -24.167 1.00 53.31 H new ATOM 0 HE ARG A 27 2.410 16.471 -23.576 1.00 44.12 H new ATOM 0 HH11 ARG A 27 1.030 13.726 -24.334 1.00 11.14 H new ATOM 0 HH12 ARG A 27 -0.079 14.297 -25.585 1.00 11.14 H new ATOM 0 HH21 ARG A 27 1.542 17.370 -25.967 1.00 21.10 H new ATOM 0 HH22 ARG A 27 0.208 16.342 -26.502 1.00 21.10 H new ATOM 443 N LEU A 28 5.721 16.865 -21.345 1.00 32.14 N ATOM 444 CA LEU A 28 5.302 16.926 -19.924 1.00 74.13 C ATOM 445 C LEU A 28 6.184 17.850 -19.161 1.00 14.23 C ATOM 446 O LEU A 28 5.811 18.925 -18.799 1.00 74.01 O ATOM 447 CB LEU A 28 5.524 15.549 -19.368 1.00 71.23 C ATOM 448 CG LEU A 28 4.180 14.902 -19.230 1.00 13.35 C ATOM 449 CD1 LEU A 28 3.367 15.676 -18.235 1.00 65.44 C ATOM 450 CD2 LEU A 28 3.469 14.916 -20.547 1.00 53.43 C ATOM 0 H LEU A 28 6.054 15.950 -21.649 1.00 32.14 H new ATOM 0 HA LEU A 28 4.269 17.266 -19.848 1.00 74.13 H new ATOM 0 HB2 LEU A 28 6.165 14.966 -20.030 1.00 71.23 H new ATOM 0 HB3 LEU A 28 6.026 15.601 -18.402 1.00 71.23 H new ATOM 0 HG LEU A 28 4.309 13.872 -18.898 1.00 13.35 H new ATOM 0 HD11 LEU A 28 2.386 15.213 -18.127 1.00 65.44 H new ATOM 0 HD12 LEU A 28 3.876 15.676 -17.271 1.00 65.44 H new ATOM 0 HD13 LEU A 28 3.247 16.702 -18.583 1.00 65.44 H new ATOM 0 HD21 LEU A 28 2.493 14.444 -20.438 1.00 53.43 H new ATOM 0 HD22 LEU A 28 3.339 15.946 -20.879 1.00 53.43 H new ATOM 0 HD23 LEU A 28 4.057 14.368 -21.284 1.00 53.43 H new ATOM 462 N ALA A 29 7.372 17.420 -18.916 1.00 74.25 N ATOM 463 CA ALA A 29 8.299 18.259 -18.156 1.00 1.44 C ATOM 464 C ALA A 29 8.238 19.669 -18.718 1.00 65.11 C ATOM 465 O ALA A 29 8.472 20.637 -18.038 1.00 22.30 O ATOM 466 CB ALA A 29 9.651 17.662 -18.424 1.00 13.25 C ATOM 0 H ALA A 29 7.741 16.517 -19.213 1.00 74.25 H new ATOM 0 HA ALA A 29 8.073 18.302 -17.091 1.00 1.44 H new ATOM 0 HB1 ALA A 29 10.412 18.231 -17.891 1.00 13.25 H new ATOM 0 HB2 ALA A 29 9.666 16.627 -18.082 1.00 13.25 H new ATOM 0 HB3 ALA A 29 9.857 17.694 -19.494 1.00 13.25 H new ATOM 472 N ARG A 30 7.887 19.785 -19.967 1.00 3.44 N ATOM 473 CA ARG A 30 7.767 21.127 -20.569 1.00 12.52 C ATOM 474 C ARG A 30 6.483 21.774 -20.054 1.00 53.33 C ATOM 475 O ARG A 30 6.440 22.945 -19.731 1.00 35.21 O ATOM 476 CB ARG A 30 7.669 20.866 -22.063 1.00 71.12 C ATOM 477 CG ARG A 30 7.073 22.087 -22.770 1.00 32.13 C ATOM 478 CD ARG A 30 7.923 22.436 -23.990 1.00 3.14 C ATOM 479 NE ARG A 30 8.197 23.893 -23.858 1.00 11.52 N ATOM 480 CZ ARG A 30 9.396 24.352 -24.079 1.00 35.41 C ATOM 481 NH1 ARG A 30 10.420 23.818 -23.472 1.00 34.11 N ATOM 482 NH2 ARG A 30 9.573 25.341 -24.913 1.00 73.51 N ATOM 0 H ARG A 30 7.680 19.006 -20.591 1.00 3.44 H new ATOM 0 HA ARG A 30 8.598 21.790 -20.329 1.00 12.52 H new ATOM 0 HB2 ARG A 30 8.657 20.647 -22.468 1.00 71.12 H new ATOM 0 HB3 ARG A 30 7.048 19.989 -22.247 1.00 71.12 H new ATOM 0 HG2 ARG A 30 6.048 21.879 -23.076 1.00 32.13 H new ATOM 0 HG3 ARG A 30 7.036 22.934 -22.085 1.00 32.13 H new ATOM 0 HD2 ARG A 30 8.848 21.859 -24.006 1.00 3.14 H new ATOM 0 HD3 ARG A 30 7.394 22.215 -24.917 1.00 3.14 H new ATOM 0 HE ARG A 30 7.447 24.532 -23.595 1.00 11.52 H new ATOM 0 HH11 ARG A 30 10.281 23.042 -22.825 1.00 34.11 H new ATOM 0 HH12 ARG A 30 11.359 24.177 -23.644 1.00 34.11 H new ATOM 0 HH21 ARG A 30 8.772 25.754 -25.391 1.00 73.51 H new ATOM 0 HH22 ARG A 30 10.512 25.700 -25.086 1.00 73.51 H new ATOM 496 N LYS A 31 5.444 20.992 -19.946 1.00 4.52 N ATOM 497 CA LYS A 31 4.161 21.510 -19.420 1.00 64.51 C ATOM 498 C LYS A 31 4.138 21.264 -17.916 1.00 22.21 C ATOM 499 O LYS A 31 3.214 21.636 -17.220 1.00 30.54 O ATOM 500 CB LYS A 31 3.095 20.655 -20.127 1.00 20.24 C ATOM 501 CG LYS A 31 3.301 19.168 -19.771 1.00 22.21 C ATOM 502 CD LYS A 31 1.981 18.411 -19.669 1.00 32.44 C ATOM 503 CE LYS A 31 1.468 18.104 -21.071 1.00 41.01 C ATOM 504 NZ LYS A 31 0.888 19.387 -21.559 1.00 64.45 N ATOM 0 H LYS A 31 5.435 20.005 -20.204 1.00 4.52 H new ATOM 0 HA LYS A 31 4.003 22.575 -19.592 1.00 64.51 H new ATOM 0 HB2 LYS A 31 2.098 20.976 -19.825 1.00 20.24 H new ATOM 0 HB3 LYS A 31 3.161 20.793 -21.206 1.00 20.24 H new ATOM 0 HG2 LYS A 31 3.929 18.699 -20.528 1.00 22.21 H new ATOM 0 HG3 LYS A 31 3.834 19.094 -18.823 1.00 22.21 H new ATOM 0 HD2 LYS A 31 2.121 17.486 -19.110 1.00 32.44 H new ATOM 0 HD3 LYS A 31 1.249 19.006 -19.123 1.00 32.44 H new ATOM 0 HE2 LYS A 31 2.274 17.763 -21.720 1.00 41.01 H new ATOM 0 HE3 LYS A 31 0.718 17.313 -21.052 1.00 41.01 H new ATOM 0 HZ1 LYS A 31 0.019 19.193 -22.096 1.00 64.45 H new ATOM 0 HZ2 LYS A 31 0.664 19.998 -20.748 1.00 64.45 H new ATOM 0 HZ3 LYS A 31 1.575 19.867 -22.174 1.00 64.45 H new ATOM 518 N TYR A 32 5.139 20.575 -17.423 1.00 11.25 N ATOM 519 CA TYR A 32 5.186 20.218 -15.990 1.00 54.32 C ATOM 520 C TYR A 32 6.353 20.877 -15.280 1.00 30.14 C ATOM 521 O TYR A 32 6.286 21.097 -14.085 1.00 1.32 O ATOM 522 CB TYR A 32 5.406 18.712 -15.987 1.00 24.51 C ATOM 523 CG TYR A 32 4.099 17.999 -16.084 1.00 25.31 C ATOM 524 CD1 TYR A 32 3.035 18.569 -16.771 1.00 61.23 C ATOM 525 CD2 TYR A 32 3.967 16.763 -15.482 1.00 74.25 C ATOM 526 CE1 TYR A 32 1.819 17.894 -16.865 1.00 64.13 C ATOM 527 CE2 TYR A 32 2.749 16.077 -15.559 1.00 63.21 C ATOM 528 CZ TYR A 32 1.671 16.642 -16.255 1.00 40.23 C ATOM 529 OH TYR A 32 0.467 15.970 -16.333 1.00 5.32 O ATOM 0 H TYR A 32 5.933 20.244 -17.971 1.00 11.25 H new ATOM 0 HA TYR A 32 4.280 20.540 -15.477 1.00 54.32 H new ATOM 0 HB2 TYR A 32 6.046 18.429 -16.823 1.00 24.51 H new ATOM 0 HB3 TYR A 32 5.924 18.415 -15.075 1.00 24.51 H new ATOM 0 HD1 TYR A 32 3.150 19.538 -17.234 1.00 61.23 H new ATOM 0 HD2 TYR A 32 4.801 16.327 -14.953 1.00 74.25 H new ATOM 0 HE1 TYR A 32 0.995 18.335 -17.406 1.00 64.13 H new ATOM 0 HE2 TYR A 32 2.640 15.114 -15.083 1.00 63.21 H new ATOM 0 HH TYR A 32 0.021 15.995 -15.461 1.00 5.32 H new ATOM 539 N HIS A 33 7.441 21.182 -15.959 1.00 1.23 N ATOM 540 CA HIS A 33 8.560 21.804 -15.208 1.00 21.03 C ATOM 541 C HIS A 33 7.952 22.937 -14.410 1.00 75.04 C ATOM 542 O HIS A 33 7.413 23.861 -14.964 1.00 3.03 O ATOM 543 CB HIS A 33 9.613 22.307 -16.192 1.00 63.42 C ATOM 544 CG HIS A 33 10.794 22.661 -15.352 1.00 4.12 C ATOM 545 ND1 HIS A 33 10.834 23.851 -14.667 1.00 60.04 N ATOM 546 CD2 HIS A 33 11.871 21.933 -14.916 1.00 51.34 C ATOM 547 CE1 HIS A 33 11.879 23.803 -13.829 1.00 31.13 C ATOM 548 NE2 HIS A 33 12.558 22.658 -13.947 1.00 70.04 N ATOM 0 H HIS A 33 7.591 21.032 -16.957 1.00 1.23 H new ATOM 0 HA HIS A 33 9.058 21.099 -14.542 1.00 21.03 H new ATOM 0 HB2 HIS A 33 9.866 21.540 -16.924 1.00 63.42 H new ATOM 0 HB3 HIS A 33 9.251 23.172 -16.748 1.00 63.42 H new ATOM 0 HD2 HIS A 33 12.144 20.950 -15.270 1.00 51.34 H new ATOM 0 HE1 HIS A 33 12.141 24.594 -13.142 1.00 31.13 H new ATOM 0 HE2 HIS A 33 13.396 22.377 -13.438 1.00 70.04 H new ATOM 556 N PRO A 34 7.968 22.771 -13.133 1.00 13.32 N ATOM 557 CA PRO A 34 7.278 23.722 -12.251 1.00 34.20 C ATOM 558 C PRO A 34 7.657 25.179 -12.512 1.00 42.10 C ATOM 559 O PRO A 34 6.875 26.077 -12.268 1.00 55.34 O ATOM 560 CB PRO A 34 7.592 23.216 -10.860 1.00 12.21 C ATOM 561 CG PRO A 34 8.816 22.381 -11.030 1.00 12.23 C ATOM 562 CD PRO A 34 8.667 21.736 -12.379 1.00 3.32 C ATOM 0 HA PRO A 34 6.202 23.755 -12.423 1.00 34.20 H new ATOM 0 HB2 PRO A 34 7.767 24.040 -10.169 1.00 12.21 H new ATOM 0 HB3 PRO A 34 6.766 22.631 -10.455 1.00 12.21 H new ATOM 0 HG2 PRO A 34 9.718 22.990 -10.982 1.00 12.23 H new ATOM 0 HG3 PRO A 34 8.895 21.632 -10.242 1.00 12.23 H new ATOM 0 HD2 PRO A 34 9.632 21.489 -12.822 1.00 3.32 H new ATOM 0 HD3 PRO A 34 8.094 20.810 -12.328 1.00 3.32 H new ATOM 570 N ASP A 35 8.793 25.426 -13.077 1.00 51.24 N ATOM 571 CA ASP A 35 9.137 26.834 -13.426 1.00 42.13 C ATOM 572 C ASP A 35 8.171 27.267 -14.512 1.00 71.44 C ATOM 573 O ASP A 35 7.927 28.434 -14.743 1.00 12.05 O ATOM 574 CB ASP A 35 10.523 26.775 -14.046 1.00 60.32 C ATOM 575 CG ASP A 35 11.284 28.063 -13.736 1.00 71.32 C ATOM 576 OD1 ASP A 35 11.097 28.593 -12.653 1.00 73.13 O ATOM 577 OD2 ASP A 35 12.041 28.499 -14.587 1.00 2.33 O ATOM 0 H ASP A 35 9.498 24.728 -13.314 1.00 51.24 H new ATOM 0 HA ASP A 35 9.094 27.506 -12.569 1.00 42.13 H new ATOM 0 HB2 ASP A 35 11.069 25.916 -13.656 1.00 60.32 H new ATOM 0 HB3 ASP A 35 10.443 26.639 -15.125 1.00 60.32 H new ATOM 582 N VAL A 36 7.632 26.294 -15.183 1.00 33.54 N ATOM 583 CA VAL A 36 6.682 26.545 -16.273 1.00 15.23 C ATOM 584 C VAL A 36 5.854 25.278 -16.381 1.00 62.43 C ATOM 585 O VAL A 36 6.276 24.262 -16.898 1.00 51.14 O ATOM 586 CB VAL A 36 7.592 26.736 -17.512 1.00 1.25 C ATOM 587 CG1 VAL A 36 9.057 26.509 -17.118 1.00 71.23 C ATOM 588 CG2 VAL A 36 7.246 25.715 -18.591 1.00 43.23 C ATOM 0 H VAL A 36 7.823 25.307 -15.008 1.00 33.54 H new ATOM 0 HA VAL A 36 6.016 27.399 -16.149 1.00 15.23 H new ATOM 0 HB VAL A 36 7.441 27.748 -17.888 1.00 1.25 H new ATOM 0 HG11 VAL A 36 9.694 26.644 -17.992 1.00 71.23 H new ATOM 0 HG12 VAL A 36 9.342 27.225 -16.347 1.00 71.23 H new ATOM 0 HG13 VAL A 36 9.178 25.496 -16.734 1.00 71.23 H new ATOM 0 HG21 VAL A 36 7.895 25.864 -19.454 1.00 43.23 H new ATOM 0 HG22 VAL A 36 7.389 24.708 -18.199 1.00 43.23 H new ATOM 0 HG23 VAL A 36 6.206 25.842 -18.893 1.00 43.23 H new ATOM 598 N SER A 37 4.708 25.303 -15.862 1.00 11.15 N ATOM 599 CA SER A 37 3.899 24.087 -15.914 1.00 45.20 C ATOM 600 C SER A 37 2.428 24.392 -15.722 1.00 4.14 C ATOM 601 O SER A 37 2.072 25.222 -14.910 1.00 23.44 O ATOM 602 CB SER A 37 4.481 23.271 -14.798 1.00 53.21 C ATOM 603 OG SER A 37 3.723 23.478 -13.615 1.00 33.23 O ATOM 0 H SER A 37 4.281 26.106 -15.400 1.00 11.15 H new ATOM 0 HA SER A 37 3.930 23.569 -16.873 1.00 45.20 H new ATOM 0 HB2 SER A 37 4.477 22.214 -15.065 1.00 53.21 H new ATOM 0 HB3 SER A 37 5.520 23.553 -14.631 1.00 53.21 H new ATOM 0 HG SER A 37 4.100 24.230 -13.113 1.00 33.23 H new ATOM 609 N LYS A 38 1.555 23.723 -16.404 1.00 54.41 N ATOM 610 CA LYS A 38 0.132 24.019 -16.145 1.00 73.35 C ATOM 611 C LYS A 38 -0.607 22.765 -15.696 1.00 42.52 C ATOM 612 O LYS A 38 -1.486 22.254 -16.362 1.00 25.41 O ATOM 613 CB LYS A 38 -0.429 24.575 -17.453 1.00 13.54 C ATOM 614 CG LYS A 38 0.075 23.736 -18.627 1.00 35.32 C ATOM 615 CD LYS A 38 -0.400 24.361 -19.940 1.00 22.21 C ATOM 616 CE LYS A 38 0.605 24.045 -21.050 1.00 52.44 C ATOM 617 NZ LYS A 38 1.724 25.006 -20.843 1.00 41.42 N ATOM 0 H LYS A 38 1.753 23.009 -17.105 1.00 54.41 H new ATOM 0 HA LYS A 38 0.010 24.742 -15.338 1.00 73.35 H new ATOM 0 HB2 LYS A 38 -1.519 24.564 -17.427 1.00 13.54 H new ATOM 0 HB3 LYS A 38 -0.124 25.614 -17.578 1.00 13.54 H new ATOM 0 HG2 LYS A 38 1.164 23.683 -18.610 1.00 35.32 H new ATOM 0 HG3 LYS A 38 -0.295 22.714 -18.543 1.00 35.32 H new ATOM 0 HD2 LYS A 38 -1.384 23.973 -20.205 1.00 22.21 H new ATOM 0 HD3 LYS A 38 -0.503 25.440 -19.825 1.00 22.21 H new ATOM 0 HE2 LYS A 38 0.953 23.014 -20.985 1.00 52.44 H new ATOM 0 HE3 LYS A 38 0.156 24.168 -22.036 1.00 52.44 H new ATOM 0 HZ1 LYS A 38 1.811 25.622 -21.676 1.00 41.42 H new ATOM 0 HZ2 LYS A 38 1.532 25.587 -20.002 1.00 41.42 H new ATOM 0 HZ3 LYS A 38 2.611 24.481 -20.706 1.00 41.42 H new ATOM 631 N GLU A 39 -0.263 22.309 -14.531 1.00 25.33 N ATOM 632 CA GLU A 39 -0.925 21.129 -13.932 1.00 64.55 C ATOM 633 C GLU A 39 -1.152 21.427 -12.449 1.00 71.21 C ATOM 634 O GLU A 39 -0.468 22.256 -11.885 1.00 44.23 O ATOM 635 CB GLU A 39 0.033 19.958 -14.154 1.00 61.25 C ATOM 636 CG GLU A 39 -0.692 18.883 -14.963 1.00 53.43 C ATOM 637 CD GLU A 39 -0.900 17.639 -14.096 1.00 54.51 C ATOM 638 OE1 GLU A 39 -0.668 17.729 -12.902 1.00 4.43 O ATOM 639 OE2 GLU A 39 -1.292 16.620 -14.640 1.00 74.44 O ATOM 0 H GLU A 39 0.471 22.718 -13.953 1.00 25.33 H new ATOM 0 HA GLU A 39 -1.894 20.892 -14.371 1.00 64.55 H new ATOM 0 HB2 GLU A 39 0.925 20.294 -14.684 1.00 61.25 H new ATOM 0 HB3 GLU A 39 0.364 19.553 -13.198 1.00 61.25 H new ATOM 0 HG2 GLU A 39 -1.654 19.262 -15.310 1.00 53.43 H new ATOM 0 HG3 GLU A 39 -0.111 18.628 -15.849 1.00 53.43 H new ATOM 646 N PRO A 40 -2.101 20.764 -11.860 1.00 31.31 N ATOM 647 CA PRO A 40 -2.403 20.998 -10.426 1.00 24.21 C ATOM 648 C PRO A 40 -1.171 20.709 -9.570 1.00 5.32 C ATOM 649 O PRO A 40 -1.043 21.193 -8.464 1.00 45.10 O ATOM 650 CB PRO A 40 -3.535 20.012 -10.142 1.00 3.01 C ATOM 651 CG PRO A 40 -3.384 18.971 -11.199 1.00 2.33 C ATOM 652 CD PRO A 40 -2.962 19.728 -12.428 1.00 31.22 C ATOM 0 HA PRO A 40 -2.682 22.027 -10.198 1.00 24.21 H new ATOM 0 HB2 PRO A 40 -3.448 19.582 -9.144 1.00 3.01 H new ATOM 0 HB3 PRO A 40 -4.509 20.497 -10.197 1.00 3.01 H new ATOM 0 HG2 PRO A 40 -2.639 18.227 -10.918 1.00 2.33 H new ATOM 0 HG3 PRO A 40 -4.320 18.438 -11.365 1.00 2.33 H new ATOM 0 HD2 PRO A 40 -2.427 19.094 -13.135 1.00 31.22 H new ATOM 0 HD3 PRO A 40 -3.814 20.151 -12.960 1.00 31.22 H new ATOM 660 N ASP A 41 -0.262 19.929 -10.076 1.00 70.01 N ATOM 661 CA ASP A 41 0.965 19.615 -9.291 1.00 52.01 C ATOM 662 C ASP A 41 2.155 19.369 -10.228 1.00 62.01 C ATOM 663 O ASP A 41 3.038 18.598 -9.929 1.00 32.44 O ATOM 664 CB ASP A 41 0.608 18.349 -8.510 1.00 32.05 C ATOM 665 CG ASP A 41 0.179 17.257 -9.489 1.00 5.43 C ATOM 666 OD1 ASP A 41 0.354 17.458 -10.679 1.00 72.43 O ATOM 667 OD2 ASP A 41 -0.318 16.240 -9.035 1.00 13.45 O ATOM 0 H ASP A 41 -0.313 19.495 -10.997 1.00 70.01 H new ATOM 0 HA ASP A 41 1.261 20.432 -8.632 1.00 52.01 H new ATOM 0 HB2 ASP A 41 1.465 18.014 -7.926 1.00 32.05 H new ATOM 0 HB3 ASP A 41 -0.196 18.558 -7.804 1.00 32.05 H new ATOM 672 N ALA A 42 2.183 20.033 -11.352 1.00 12.32 N ATOM 673 CA ALA A 42 3.314 19.849 -12.319 1.00 20.40 C ATOM 674 C ALA A 42 4.645 19.829 -11.572 1.00 1.22 C ATOM 675 O ALA A 42 5.561 19.143 -11.953 1.00 54.14 O ATOM 676 CB ALA A 42 3.257 21.042 -13.266 1.00 42.42 C ATOM 0 H ALA A 42 1.469 20.699 -11.647 1.00 12.32 H new ATOM 0 HA ALA A 42 3.229 18.907 -12.861 1.00 20.40 H new ATOM 0 HB1 ALA A 42 4.061 20.964 -13.998 1.00 42.42 H new ATOM 0 HB2 ALA A 42 2.297 21.052 -13.781 1.00 42.42 H new ATOM 0 HB3 ALA A 42 3.373 21.964 -12.697 1.00 42.42 H new ATOM 682 N GLU A 43 4.765 20.537 -10.488 1.00 42.13 N ATOM 683 CA GLU A 43 6.047 20.463 -9.736 1.00 51.03 C ATOM 684 C GLU A 43 6.222 18.999 -9.376 1.00 53.33 C ATOM 685 O GLU A 43 7.228 18.369 -9.656 1.00 41.44 O ATOM 686 CB GLU A 43 5.830 21.331 -8.491 1.00 62.32 C ATOM 687 CG GLU A 43 6.836 20.959 -7.393 1.00 30.31 C ATOM 688 CD GLU A 43 8.076 21.846 -7.514 1.00 25.11 C ATOM 689 OE1 GLU A 43 8.044 22.949 -6.993 1.00 4.32 O ATOM 690 OE2 GLU A 43 9.037 21.409 -8.125 1.00 34.44 O ATOM 0 H GLU A 43 4.051 21.150 -10.096 1.00 42.13 H new ATOM 0 HA GLU A 43 6.928 20.809 -10.276 1.00 51.03 H new ATOM 0 HB2 GLU A 43 5.940 22.384 -8.751 1.00 62.32 H new ATOM 0 HB3 GLU A 43 4.813 21.198 -8.121 1.00 62.32 H new ATOM 0 HG2 GLU A 43 6.381 21.084 -6.411 1.00 30.31 H new ATOM 0 HG3 GLU A 43 7.117 19.910 -7.483 1.00 30.31 H new ATOM 697 N ALA A 44 5.193 18.452 -8.807 1.00 35.02 N ATOM 698 CA ALA A 44 5.189 17.020 -8.452 1.00 54.51 C ATOM 699 C ALA A 44 5.059 16.210 -9.721 1.00 14.31 C ATOM 700 O ALA A 44 5.851 15.343 -10.013 1.00 0.13 O ATOM 701 CB ALA A 44 3.919 16.859 -7.654 1.00 12.22 C ATOM 0 H ALA A 44 4.336 18.952 -8.569 1.00 35.02 H new ATOM 0 HA ALA A 44 6.085 16.703 -7.918 1.00 54.51 H new ATOM 0 HB1 ALA A 44 3.817 15.821 -7.338 1.00 12.22 H new ATOM 0 HB2 ALA A 44 3.957 17.504 -6.776 1.00 12.22 H new ATOM 0 HB3 ALA A 44 3.064 17.136 -8.271 1.00 12.22 H new ATOM 707 N ARG A 45 4.045 16.506 -10.480 1.00 52.01 N ATOM 708 CA ARG A 45 3.826 15.787 -11.740 1.00 63.55 C ATOM 709 C ARG A 45 5.127 15.793 -12.543 1.00 72.25 C ATOM 710 O ARG A 45 5.653 14.763 -12.896 1.00 53.42 O ATOM 711 CB ARG A 45 2.740 16.582 -12.460 1.00 1.44 C ATOM 712 CG ARG A 45 1.450 15.765 -12.555 1.00 25.22 C ATOM 713 CD ARG A 45 1.751 14.357 -13.063 1.00 1.14 C ATOM 714 NE ARG A 45 1.025 13.464 -12.119 1.00 61.21 N ATOM 715 CZ ARG A 45 -0.078 12.869 -12.489 1.00 51.32 C ATOM 716 NH1 ARG A 45 -0.767 13.328 -13.501 1.00 61.13 N ATOM 717 NH2 ARG A 45 -0.499 11.822 -11.835 1.00 54.13 N ATOM 0 H ARG A 45 3.355 17.227 -10.269 1.00 52.01 H new ATOM 0 HA ARG A 45 3.530 14.747 -11.599 1.00 63.55 H new ATOM 0 HB2 ARG A 45 2.549 17.513 -11.927 1.00 1.44 H new ATOM 0 HB3 ARG A 45 3.081 16.851 -13.460 1.00 1.44 H new ATOM 0 HG2 ARG A 45 0.972 15.712 -11.577 1.00 25.22 H new ATOM 0 HG3 ARG A 45 0.747 16.259 -13.226 1.00 25.22 H new ATOM 0 HD2 ARG A 45 1.403 14.221 -14.087 1.00 1.14 H new ATOM 0 HD3 ARG A 45 2.822 14.153 -13.060 1.00 1.14 H new ATOM 0 HE ARG A 45 1.390 13.316 -11.178 1.00 61.21 H new ATOM 0 HH11 ARG A 45 -0.444 14.154 -14.005 1.00 61.13 H new ATOM 0 HH12 ARG A 45 -1.627 12.860 -13.786 1.00 61.13 H new ATOM 0 HH21 ARG A 45 0.032 11.471 -11.038 1.00 54.13 H new ATOM 0 HH22 ARG A 45 -1.359 11.354 -12.120 1.00 54.13 H new ATOM 731 N PHE A 46 5.673 16.952 -12.807 1.00 71.31 N ATOM 732 CA PHE A 46 6.955 16.993 -13.559 1.00 53.03 C ATOM 733 C PHE A 46 7.909 16.055 -12.876 1.00 71.22 C ATOM 734 O PHE A 46 8.409 15.121 -13.462 1.00 31.15 O ATOM 735 CB PHE A 46 7.516 18.403 -13.422 1.00 34.14 C ATOM 736 CG PHE A 46 8.921 18.413 -13.983 1.00 61.22 C ATOM 737 CD1 PHE A 46 9.233 17.675 -15.137 1.00 63.10 C ATOM 738 CD2 PHE A 46 9.914 19.152 -13.341 1.00 13.11 C ATOM 739 CE1 PHE A 46 10.543 17.686 -15.634 1.00 31.41 C ATOM 740 CE2 PHE A 46 11.219 19.163 -13.838 1.00 24.43 C ATOM 741 CZ PHE A 46 11.535 18.429 -14.984 1.00 42.02 C ATOM 0 H PHE A 46 5.291 17.858 -12.537 1.00 71.31 H new ATOM 0 HA PHE A 46 6.815 16.721 -14.605 1.00 53.03 H new ATOM 0 HB2 PHE A 46 6.888 19.115 -13.958 1.00 34.14 H new ATOM 0 HB3 PHE A 46 7.523 18.709 -12.376 1.00 34.14 H new ATOM 0 HD1 PHE A 46 8.467 17.102 -15.638 1.00 63.10 H new ATOM 0 HD2 PHE A 46 9.672 19.719 -12.454 1.00 13.11 H new ATOM 0 HE1 PHE A 46 10.788 17.120 -16.521 1.00 31.41 H new ATOM 0 HE2 PHE A 46 11.983 19.738 -13.337 1.00 24.43 H new ATOM 0 HZ PHE A 46 12.544 18.435 -15.368 1.00 42.02 H new ATOM 751 N LYS A 47 8.156 16.283 -11.617 1.00 4.33 N ATOM 752 CA LYS A 47 9.062 15.369 -10.913 1.00 51.43 C ATOM 753 C LYS A 47 8.557 13.958 -11.165 1.00 4.14 C ATOM 754 O LYS A 47 9.328 13.052 -11.392 1.00 72.25 O ATOM 755 CB LYS A 47 8.983 15.735 -9.446 1.00 41.13 C ATOM 756 CG LYS A 47 9.616 17.111 -9.247 1.00 3.22 C ATOM 757 CD LYS A 47 9.144 17.698 -7.924 1.00 72.43 C ATOM 758 CE LYS A 47 10.191 17.431 -6.841 1.00 1.12 C ATOM 759 NZ LYS A 47 9.432 16.790 -5.731 1.00 12.45 N ATOM 0 H LYS A 47 7.773 17.050 -11.064 1.00 4.33 H new ATOM 0 HA LYS A 47 10.097 15.435 -11.247 1.00 51.43 H new ATOM 0 HB2 LYS A 47 7.944 15.746 -9.115 1.00 41.13 H new ATOM 0 HB3 LYS A 47 9.502 14.990 -8.843 1.00 41.13 H new ATOM 0 HG2 LYS A 47 10.703 17.028 -9.254 1.00 3.22 H new ATOM 0 HG3 LYS A 47 9.342 17.772 -10.069 1.00 3.22 H new ATOM 0 HD2 LYS A 47 8.980 18.770 -8.029 1.00 72.43 H new ATOM 0 HD3 LYS A 47 8.190 17.256 -7.638 1.00 72.43 H new ATOM 0 HE2 LYS A 47 10.983 16.778 -7.208 1.00 1.12 H new ATOM 0 HE3 LYS A 47 10.667 18.355 -6.513 1.00 1.12 H new ATOM 0 HZ1 LYS A 47 10.080 16.574 -4.947 1.00 12.45 H new ATOM 0 HZ2 LYS A 47 8.689 17.438 -5.399 1.00 12.45 H new ATOM 0 HZ3 LYS A 47 8.996 15.909 -6.072 1.00 12.45 H new ATOM 773 N GLU A 48 7.250 13.787 -11.189 1.00 72.53 N ATOM 774 CA GLU A 48 6.682 12.468 -11.495 1.00 53.43 C ATOM 775 C GLU A 48 7.160 12.102 -12.875 1.00 21.42 C ATOM 776 O GLU A 48 7.512 10.973 -13.157 1.00 51.52 O ATOM 777 CB GLU A 48 5.176 12.677 -11.497 1.00 4.11 C ATOM 778 CG GLU A 48 4.564 11.809 -10.436 1.00 34.31 C ATOM 779 CD GLU A 48 3.157 12.313 -10.106 1.00 62.24 C ATOM 780 OE1 GLU A 48 3.030 13.476 -9.760 1.00 2.30 O ATOM 781 OE2 GLU A 48 2.230 11.528 -10.211 1.00 34.11 O ATOM 0 H GLU A 48 6.565 14.521 -11.006 1.00 72.53 H new ATOM 0 HA GLU A 48 6.965 11.684 -10.793 1.00 53.43 H new ATOM 0 HB2 GLU A 48 4.940 13.725 -11.309 1.00 4.11 H new ATOM 0 HB3 GLU A 48 4.762 12.427 -12.474 1.00 4.11 H new ATOM 0 HG2 GLU A 48 4.519 10.775 -10.779 1.00 34.31 H new ATOM 0 HG3 GLU A 48 5.185 11.821 -9.540 1.00 34.31 H new ATOM 788 N VAL A 49 7.202 13.061 -13.741 1.00 23.32 N ATOM 789 CA VAL A 49 7.694 12.767 -15.091 1.00 23.32 C ATOM 790 C VAL A 49 9.157 12.550 -15.014 1.00 52.04 C ATOM 791 O VAL A 49 9.660 11.519 -15.286 1.00 1.51 O ATOM 792 CB VAL A 49 7.477 14.007 -15.901 1.00 64.32 C ATOM 793 CG1 VAL A 49 7.839 13.688 -17.316 1.00 71.21 C ATOM 794 CG2 VAL A 49 6.039 14.405 -15.822 1.00 35.20 C ATOM 0 H VAL A 49 6.919 14.026 -13.571 1.00 23.32 H new ATOM 0 HA VAL A 49 7.194 11.897 -15.516 1.00 23.32 H new ATOM 0 HB VAL A 49 8.087 14.829 -15.527 1.00 64.32 H new ATOM 0 HG11 VAL A 49 7.693 14.572 -17.937 1.00 71.21 H new ATOM 0 HG12 VAL A 49 8.883 13.380 -17.364 1.00 71.21 H new ATOM 0 HG13 VAL A 49 7.205 12.879 -17.680 1.00 71.21 H new ATOM 0 HG21 VAL A 49 5.878 15.308 -16.411 1.00 35.20 H new ATOM 0 HG22 VAL A 49 5.417 13.601 -16.214 1.00 35.20 H new ATOM 0 HG23 VAL A 49 5.771 14.597 -14.783 1.00 35.20 H new ATOM 804 N ALA A 50 9.836 13.534 -14.602 1.00 34.21 N ATOM 805 CA ALA A 50 11.281 13.416 -14.481 1.00 52.44 C ATOM 806 C ALA A 50 11.631 12.118 -13.761 1.00 75.03 C ATOM 807 O ALA A 50 12.555 11.429 -14.138 1.00 51.50 O ATOM 808 CB ALA A 50 11.586 14.625 -13.676 1.00 52.20 C ATOM 0 H ALA A 50 9.449 14.439 -14.336 1.00 34.21 H new ATOM 0 HA ALA A 50 11.841 13.371 -15.415 1.00 52.44 H new ATOM 0 HB1 ALA A 50 12.660 14.681 -13.496 1.00 52.20 H new ATOM 0 HB2 ALA A 50 11.263 15.514 -14.218 1.00 52.20 H new ATOM 0 HB3 ALA A 50 11.060 14.570 -12.723 1.00 52.20 H new ATOM 814 N GLU A 51 10.867 11.734 -12.772 1.00 71.12 N ATOM 815 CA GLU A 51 11.148 10.433 -12.119 1.00 35.50 C ATOM 816 C GLU A 51 10.618 9.367 -13.037 1.00 71.12 C ATOM 817 O GLU A 51 11.250 8.366 -13.246 1.00 33.25 O ATOM 818 CB GLU A 51 10.427 10.436 -10.797 1.00 65.12 C ATOM 819 CG GLU A 51 8.941 10.312 -11.008 1.00 54.04 C ATOM 820 CD GLU A 51 8.258 10.149 -9.654 1.00 73.41 C ATOM 821 OE1 GLU A 51 8.946 10.228 -8.650 1.00 41.54 O ATOM 822 OE2 GLU A 51 7.062 9.950 -9.645 1.00 50.04 O ATOM 0 H GLU A 51 10.076 12.258 -12.397 1.00 71.12 H new ATOM 0 HA GLU A 51 12.208 10.256 -11.939 1.00 35.50 H new ATOM 0 HB2 GLU A 51 10.783 9.611 -10.180 1.00 65.12 H new ATOM 0 HB3 GLU A 51 10.648 11.357 -10.257 1.00 65.12 H new ATOM 0 HG2 GLU A 51 8.558 11.196 -11.518 1.00 54.04 H new ATOM 0 HG3 GLU A 51 8.722 9.456 -11.646 1.00 54.04 H new ATOM 829 N ALA A 52 9.499 9.609 -13.663 1.00 32.21 N ATOM 830 CA ALA A 52 9.025 8.621 -14.652 1.00 12.12 C ATOM 831 C ALA A 52 10.085 8.631 -15.704 1.00 53.12 C ATOM 832 O ALA A 52 10.791 7.713 -16.022 1.00 73.01 O ATOM 833 CB ALA A 52 7.778 9.224 -15.265 1.00 45.33 C ATOM 0 H ALA A 52 8.909 10.431 -13.532 1.00 32.21 H new ATOM 0 HA ALA A 52 8.833 7.628 -14.246 1.00 12.12 H new ATOM 0 HB1 ALA A 52 7.372 8.541 -16.011 1.00 45.33 H new ATOM 0 HB2 ALA A 52 7.035 9.394 -14.486 1.00 45.33 H new ATOM 0 HB3 ALA A 52 8.028 10.173 -15.740 1.00 45.33 H new ATOM 839 N TRP A 53 10.219 9.727 -16.210 1.00 44.43 N ATOM 840 CA TRP A 53 11.222 9.954 -17.194 1.00 1.43 C ATOM 841 C TRP A 53 12.535 9.390 -16.688 1.00 10.42 C ATOM 842 O TRP A 53 13.314 8.863 -17.439 1.00 44.51 O ATOM 843 CB TRP A 53 11.244 11.439 -17.270 1.00 55.12 C ATOM 844 CG TRP A 53 12.331 11.762 -18.157 1.00 13.43 C ATOM 845 CD1 TRP A 53 13.366 12.556 -17.898 1.00 11.02 C ATOM 846 CD2 TRP A 53 12.506 11.225 -19.440 1.00 22.11 C ATOM 847 NE1 TRP A 53 14.208 12.532 -18.993 1.00 61.20 N ATOM 848 CE2 TRP A 53 13.694 11.708 -19.979 1.00 12.02 C ATOM 849 CE3 TRP A 53 11.722 10.364 -20.176 1.00 3.31 C ATOM 850 CZ2 TRP A 53 14.099 11.319 -21.231 1.00 13.52 C ATOM 851 CZ3 TRP A 53 12.103 9.976 -21.417 1.00 61.02 C ATOM 852 CH2 TRP A 53 13.302 10.447 -21.966 1.00 51.23 C ATOM 0 H TRP A 53 9.649 10.542 -15.982 1.00 44.43 H new ATOM 0 HA TRP A 53 11.047 9.489 -18.164 1.00 1.43 H new ATOM 0 HB2 TRP A 53 10.299 11.827 -17.650 1.00 55.12 H new ATOM 0 HB3 TRP A 53 11.397 11.880 -16.285 1.00 55.12 H new ATOM 0 HD1 TRP A 53 13.521 13.121 -16.991 1.00 11.02 H new ATOM 0 HE1 TRP A 53 15.085 13.049 -19.065 1.00 61.20 H new ATOM 0 HE3 TRP A 53 10.796 9.995 -19.760 1.00 3.31 H new ATOM 0 HZ2 TRP A 53 15.028 11.686 -21.642 1.00 13.52 H new ATOM 0 HZ3 TRP A 53 11.480 9.301 -21.985 1.00 61.02 H new ATOM 0 HH2 TRP A 53 13.606 10.135 -22.954 1.00 51.23 H new ATOM 863 N GLU A 54 12.755 9.411 -15.403 1.00 5.24 N ATOM 864 CA GLU A 54 13.989 8.775 -14.910 1.00 21.04 C ATOM 865 C GLU A 54 13.882 7.347 -15.353 1.00 11.11 C ATOM 866 O GLU A 54 14.559 6.903 -16.238 1.00 62.04 O ATOM 867 CB GLU A 54 13.891 8.817 -13.388 1.00 43.44 C ATOM 868 CG GLU A 54 15.268 8.598 -12.783 1.00 44.14 C ATOM 869 CD GLU A 54 16.026 9.924 -12.758 1.00 61.22 C ATOM 870 OE1 GLU A 54 16.101 10.557 -13.799 1.00 60.43 O ATOM 871 OE2 GLU A 54 16.513 10.287 -11.701 1.00 22.21 O ATOM 0 H GLU A 54 12.149 9.830 -14.697 1.00 5.24 H new ATOM 0 HA GLU A 54 14.910 9.242 -15.258 1.00 21.04 H new ATOM 0 HB2 GLU A 54 13.489 9.778 -13.066 1.00 43.44 H new ATOM 0 HB3 GLU A 54 13.202 8.049 -13.036 1.00 43.44 H new ATOM 0 HG2 GLU A 54 15.175 8.200 -11.772 1.00 44.14 H new ATOM 0 HG3 GLU A 54 15.821 7.861 -13.366 1.00 44.14 H new ATOM 878 N VAL A 55 12.932 6.679 -14.783 1.00 61.21 N ATOM 879 CA VAL A 55 12.628 5.282 -15.149 1.00 44.03 C ATOM 880 C VAL A 55 12.539 5.119 -16.608 1.00 15.34 C ATOM 881 O VAL A 55 13.314 4.429 -17.218 1.00 52.33 O ATOM 882 CB VAL A 55 11.230 4.982 -14.588 1.00 51.52 C ATOM 883 CG1 VAL A 55 11.286 4.262 -13.273 1.00 3.10 C ATOM 884 CG2 VAL A 55 10.454 6.214 -14.357 1.00 72.34 C ATOM 0 H VAL A 55 12.332 7.060 -14.051 1.00 61.21 H new ATOM 0 HA VAL A 55 13.409 4.628 -14.762 1.00 44.03 H new ATOM 0 HB VAL A 55 10.753 4.358 -15.344 1.00 51.52 H new ATOM 0 HG11 VAL A 55 10.273 4.073 -12.918 1.00 3.10 H new ATOM 0 HG12 VAL A 55 11.809 3.314 -13.399 1.00 3.10 H new ATOM 0 HG13 VAL A 55 11.817 4.875 -12.545 1.00 3.10 H new ATOM 0 HG21 VAL A 55 9.472 5.956 -13.960 1.00 72.34 H new ATOM 0 HG22 VAL A 55 10.980 6.846 -13.642 1.00 72.34 H new ATOM 0 HG23 VAL A 55 10.336 6.751 -15.298 1.00 72.34 H new ATOM 894 N LEU A 56 11.605 5.765 -17.150 1.00 11.13 N ATOM 895 CA LEU A 56 11.383 5.663 -18.580 1.00 22.53 C ATOM 896 C LEU A 56 12.673 5.966 -19.328 1.00 2.13 C ATOM 897 O LEU A 56 13.021 5.307 -20.288 1.00 10.20 O ATOM 898 CB LEU A 56 10.275 6.659 -18.854 1.00 34.34 C ATOM 899 CG LEU A 56 9.189 6.580 -17.785 1.00 12.33 C ATOM 900 CD1 LEU A 56 7.912 7.142 -18.301 1.00 32.41 C ATOM 901 CD2 LEU A 56 8.958 5.160 -17.364 1.00 30.40 C ATOM 0 H LEU A 56 10.961 6.381 -16.654 1.00 11.13 H new ATOM 0 HA LEU A 56 11.094 4.667 -18.916 1.00 22.53 H new ATOM 0 HB2 LEU A 56 10.687 7.667 -18.884 1.00 34.34 H new ATOM 0 HB3 LEU A 56 9.840 6.463 -19.834 1.00 34.34 H new ATOM 0 HG LEU A 56 9.526 7.160 -16.926 1.00 12.33 H new ATOM 0 HD11 LEU A 56 7.147 7.078 -17.527 1.00 32.41 H new ATOM 0 HD12 LEU A 56 8.060 8.185 -18.580 1.00 32.41 H new ATOM 0 HD13 LEU A 56 7.592 6.575 -19.175 1.00 32.41 H new ATOM 0 HD21 LEU A 56 8.180 5.129 -16.601 1.00 30.40 H new ATOM 0 HD22 LEU A 56 8.645 4.571 -18.226 1.00 30.40 H new ATOM 0 HD23 LEU A 56 9.881 4.746 -16.958 1.00 30.40 H new ATOM 913 N SER A 57 13.404 6.928 -18.867 1.00 54.42 N ATOM 914 CA SER A 57 14.714 7.245 -19.529 1.00 51.01 C ATOM 915 C SER A 57 15.833 6.409 -18.887 1.00 73.04 C ATOM 916 O SER A 57 16.977 6.469 -19.290 1.00 23.34 O ATOM 917 CB SER A 57 14.959 8.740 -19.312 1.00 33.13 C ATOM 918 OG SER A 57 15.531 8.943 -18.026 1.00 65.20 O ATOM 0 H SER A 57 13.165 7.513 -18.066 1.00 54.42 H new ATOM 0 HA SER A 57 14.697 7.009 -20.593 1.00 51.01 H new ATOM 0 HB2 SER A 57 15.625 9.126 -20.084 1.00 33.13 H new ATOM 0 HB3 SER A 57 14.021 9.289 -19.396 1.00 33.13 H new ATOM 0 HG SER A 57 14.964 8.524 -17.346 1.00 65.20 H new ATOM 924 N ASP A 58 15.500 5.620 -17.898 1.00 73.31 N ATOM 925 CA ASP A 58 16.521 4.762 -17.228 1.00 3.40 C ATOM 926 C ASP A 58 16.288 3.315 -17.614 1.00 21.45 C ATOM 927 O ASP A 58 15.378 2.684 -17.113 1.00 52.41 O ATOM 928 CB ASP A 58 16.291 4.895 -15.716 1.00 71.40 C ATOM 929 CG ASP A 58 17.609 5.232 -15.017 1.00 43.55 C ATOM 930 OD1 ASP A 58 18.003 6.387 -15.065 1.00 22.13 O ATOM 931 OD2 ASP A 58 18.203 4.331 -14.447 1.00 70.24 O ATOM 0 H ASP A 58 14.555 5.533 -17.523 1.00 73.31 H new ATOM 0 HA ASP A 58 17.529 5.061 -17.515 1.00 3.40 H new ATOM 0 HB2 ASP A 58 15.555 5.674 -15.518 1.00 71.40 H new ATOM 0 HB3 ASP A 58 15.885 3.965 -15.318 1.00 71.40 H new ATOM 936 N GLU A 59 17.093 2.769 -18.477 1.00 4.12 N ATOM 937 CA GLU A 59 16.890 1.347 -18.843 1.00 61.30 C ATOM 938 C GLU A 59 16.635 0.549 -17.557 1.00 45.13 C ATOM 939 O GLU A 59 15.866 -0.395 -17.533 1.00 40.42 O ATOM 940 CB GLU A 59 18.200 0.922 -19.515 1.00 64.52 C ATOM 941 CG GLU A 59 17.934 0.564 -20.981 1.00 31.21 C ATOM 942 CD GLU A 59 19.264 0.401 -21.719 1.00 41.33 C ATOM 943 OE1 GLU A 59 20.222 1.043 -21.320 1.00 52.20 O ATOM 944 OE2 GLU A 59 19.305 -0.363 -22.670 1.00 2.44 O ATOM 0 H GLU A 59 17.872 3.239 -18.939 1.00 4.12 H new ATOM 0 HA GLU A 59 16.042 1.181 -19.507 1.00 61.30 H new ATOM 0 HB2 GLU A 59 18.930 1.729 -19.454 1.00 64.52 H new ATOM 0 HB3 GLU A 59 18.627 0.066 -18.993 1.00 64.52 H new ATOM 0 HG2 GLU A 59 17.357 -0.359 -21.042 1.00 31.21 H new ATOM 0 HG3 GLU A 59 17.337 1.344 -21.454 1.00 31.21 H new ATOM 951 N GLN A 60 17.248 0.957 -16.470 1.00 73.13 N ATOM 952 CA GLN A 60 17.029 0.245 -15.186 1.00 54.40 C ATOM 953 C GLN A 60 15.727 0.709 -14.544 1.00 15.32 C ATOM 954 O GLN A 60 14.799 -0.057 -14.384 1.00 11.10 O ATOM 955 CB GLN A 60 18.217 0.613 -14.306 1.00 63.35 C ATOM 956 CG GLN A 60 18.223 -0.309 -13.093 1.00 43.31 C ATOM 957 CD GLN A 60 18.712 0.462 -11.865 1.00 63.40 C ATOM 958 OE1 GLN A 60 17.951 0.717 -10.952 1.00 40.24 O ATOM 959 NE2 GLN A 60 19.957 0.847 -11.803 1.00 44.44 N ATOM 0 H GLN A 60 17.887 1.751 -16.424 1.00 73.13 H new ATOM 0 HA GLN A 60 16.952 -0.833 -15.327 1.00 54.40 H new ATOM 0 HB2 GLN A 60 19.148 0.511 -14.864 1.00 63.35 H new ATOM 0 HB3 GLN A 60 18.147 1.654 -13.990 1.00 63.35 H new ATOM 0 HG2 GLN A 60 17.221 -0.699 -12.915 1.00 43.31 H new ATOM 0 HG3 GLN A 60 18.870 -1.166 -13.278 1.00 43.31 H new ATOM 0 HE21 GLN A 60 20.596 0.633 -12.569 1.00 44.44 H new ATOM 0 HE22 GLN A 60 20.292 1.362 -10.989 1.00 44.44 H new ATOM 968 N ARG A 61 15.623 1.949 -14.163 1.00 22.33 N ATOM 969 CA ARG A 61 14.340 2.359 -13.551 1.00 4.33 C ATOM 970 C ARG A 61 13.200 1.957 -14.498 1.00 60.14 C ATOM 971 O ARG A 61 12.323 1.238 -14.093 1.00 61.22 O ATOM 972 CB ARG A 61 14.362 3.869 -13.322 1.00 62.24 C ATOM 973 CG ARG A 61 15.309 4.255 -12.226 1.00 61.34 C ATOM 974 CD ARG A 61 14.965 3.482 -10.952 1.00 3.11 C ATOM 975 NE ARG A 61 15.703 4.182 -9.864 1.00 22.24 N ATOM 976 CZ ARG A 61 16.480 3.503 -9.066 1.00 45.10 C ATOM 977 NH1 ARG A 61 17.452 2.782 -9.558 1.00 72.04 N ATOM 978 NH2 ARG A 61 16.284 3.545 -7.776 1.00 4.33 N ATOM 0 H ARG A 61 16.341 2.669 -14.245 1.00 22.33 H new ATOM 0 HA ARG A 61 14.188 1.868 -12.590 1.00 4.33 H new ATOM 0 HB2 ARG A 61 14.651 4.372 -14.245 1.00 62.24 H new ATOM 0 HB3 ARG A 61 13.358 4.213 -13.072 1.00 62.24 H new ATOM 0 HG2 ARG A 61 16.335 4.042 -12.527 1.00 61.34 H new ATOM 0 HG3 ARG A 61 15.248 5.327 -12.040 1.00 61.34 H new ATOM 0 HD2 ARG A 61 13.891 3.486 -10.766 1.00 3.11 H new ATOM 0 HD3 ARG A 61 15.271 2.439 -11.029 1.00 3.11 H new ATOM 0 HE ARG A 61 15.601 5.190 -9.743 1.00 22.24 H new ATOM 0 HH11 ARG A 61 17.603 2.750 -10.566 1.00 72.04 H new ATOM 0 HH12 ARG A 61 18.060 2.251 -8.934 1.00 72.04 H new ATOM 0 HH21 ARG A 61 15.524 4.108 -7.394 1.00 4.33 H new ATOM 0 HH22 ARG A 61 16.891 3.015 -7.150 1.00 4.33 H new ATOM 992 N ARG A 62 13.179 2.367 -15.763 1.00 32.41 N ATOM 993 CA ARG A 62 12.041 1.895 -16.603 1.00 40.33 C ATOM 994 C ARG A 62 12.015 0.379 -16.514 1.00 13.14 C ATOM 995 O ARG A 62 10.984 -0.225 -16.460 1.00 5.14 O ATOM 996 CB ARG A 62 12.260 2.267 -18.056 1.00 62.54 C ATOM 997 CG ARG A 62 10.899 2.182 -18.743 1.00 15.33 C ATOM 998 CD ARG A 62 11.115 1.747 -20.186 1.00 62.45 C ATOM 999 NE ARG A 62 11.935 2.831 -20.796 1.00 10.33 N ATOM 1000 CZ ARG A 62 12.783 2.550 -21.749 1.00 40.50 C ATOM 1001 NH1 ARG A 62 12.355 2.042 -22.869 1.00 64.11 N ATOM 1002 NH2 ARG A 62 14.060 2.768 -21.582 1.00 41.03 N ATOM 0 H ARG A 62 13.864 2.972 -16.216 1.00 32.41 H new ATOM 0 HA ARG A 62 11.114 2.349 -16.253 1.00 40.33 H new ATOM 0 HB2 ARG A 62 12.673 3.272 -18.140 1.00 62.54 H new ATOM 0 HB3 ARG A 62 12.973 1.589 -18.525 1.00 62.54 H new ATOM 0 HG2 ARG A 62 10.256 1.470 -18.225 1.00 15.33 H new ATOM 0 HG3 ARG A 62 10.396 3.149 -18.710 1.00 15.33 H new ATOM 0 HD2 ARG A 62 11.629 0.787 -20.236 1.00 62.45 H new ATOM 0 HD3 ARG A 62 10.166 1.628 -20.709 1.00 62.45 H new ATOM 0 HE ARG A 62 11.834 3.792 -20.470 1.00 10.33 H new ATOM 0 HH11 ARG A 62 11.359 1.864 -23.001 1.00 64.11 H new ATOM 0 HH12 ARG A 62 13.015 1.822 -23.614 1.00 64.11 H new ATOM 0 HH21 ARG A 62 14.400 3.160 -20.704 1.00 41.03 H new ATOM 0 HH22 ARG A 62 14.717 2.546 -22.330 1.00 41.03 H new ATOM 1016 N ALA A 63 13.155 -0.266 -16.493 1.00 64.12 N ATOM 1017 CA ALA A 63 13.107 -1.742 -16.382 1.00 20.04 C ATOM 1018 C ALA A 63 12.251 -2.070 -15.175 1.00 52.14 C ATOM 1019 O ALA A 63 11.253 -2.748 -15.271 1.00 44.43 O ATOM 1020 CB ALA A 63 14.537 -2.191 -16.149 1.00 30.21 C ATOM 0 H ALA A 63 14.083 0.154 -16.546 1.00 64.12 H new ATOM 0 HA ALA A 63 12.693 -2.230 -17.264 1.00 20.04 H new ATOM 0 HB1 ALA A 63 14.567 -3.277 -16.058 1.00 30.21 H new ATOM 0 HB2 ALA A 63 15.158 -1.880 -16.989 1.00 30.21 H new ATOM 0 HB3 ALA A 63 14.915 -1.740 -15.232 1.00 30.21 H new ATOM 1026 N GLU A 64 12.620 -1.546 -14.042 1.00 30.13 N ATOM 1027 CA GLU A 64 11.813 -1.778 -12.818 1.00 12.42 C ATOM 1028 C GLU A 64 10.429 -1.173 -13.026 1.00 74.05 C ATOM 1029 O GLU A 64 9.415 -1.831 -12.847 1.00 71.31 O ATOM 1030 CB GLU A 64 12.579 -1.061 -11.716 1.00 42.34 C ATOM 1031 CG GLU A 64 13.851 -1.857 -11.427 1.00 40.31 C ATOM 1032 CD GLU A 64 13.962 -2.141 -9.928 1.00 43.21 C ATOM 1033 OE1 GLU A 64 14.450 -1.281 -9.215 1.00 10.41 O ATOM 1034 OE2 GLU A 64 13.569 -3.222 -9.522 1.00 34.21 O ATOM 0 H GLU A 64 13.449 -0.965 -13.912 1.00 30.13 H new ATOM 0 HA GLU A 64 11.670 -2.831 -12.575 1.00 12.42 H new ATOM 0 HB2 GLU A 64 12.827 -0.045 -12.024 1.00 42.34 H new ATOM 0 HB3 GLU A 64 11.967 -0.981 -10.817 1.00 42.34 H new ATOM 0 HG2 GLU A 64 13.837 -2.794 -11.983 1.00 40.31 H new ATOM 0 HG3 GLU A 64 14.724 -1.299 -11.765 1.00 40.31 H new ATOM 1041 N TYR A 65 10.375 0.070 -13.437 1.00 64.43 N ATOM 1042 CA TYR A 65 9.069 0.698 -13.688 1.00 54.30 C ATOM 1043 C TYR A 65 8.262 -0.202 -14.591 1.00 50.24 C ATOM 1044 O TYR A 65 7.168 -0.630 -14.281 1.00 63.44 O ATOM 1045 CB TYR A 65 9.356 1.967 -14.469 1.00 63.50 C ATOM 1046 CG TYR A 65 8.059 2.627 -14.645 1.00 12.20 C ATOM 1047 CD1 TYR A 65 7.283 2.873 -13.523 1.00 52.25 C ATOM 1048 CD2 TYR A 65 7.612 2.975 -15.913 1.00 1.32 C ATOM 1049 CE1 TYR A 65 6.044 3.460 -13.661 1.00 23.32 C ATOM 1050 CE2 TYR A 65 6.378 3.577 -16.053 1.00 2.20 C ATOM 1051 CZ TYR A 65 5.583 3.819 -14.932 1.00 31.44 C ATOM 1052 OH TYR A 65 4.332 4.368 -15.089 1.00 34.24 O ATOM 0 H TYR A 65 11.186 0.666 -13.606 1.00 64.43 H new ATOM 0 HA TYR A 65 8.533 0.883 -12.757 1.00 54.30 H new ATOM 0 HB2 TYR A 65 10.052 2.609 -13.930 1.00 63.50 H new ATOM 0 HB3 TYR A 65 9.813 1.739 -15.432 1.00 63.50 H new ATOM 0 HD1 TYR A 65 7.649 2.605 -12.543 1.00 52.25 H new ATOM 0 HD2 TYR A 65 8.224 2.777 -16.781 1.00 1.32 H new ATOM 0 HE1 TYR A 65 5.431 3.642 -12.791 1.00 23.32 H new ATOM 0 HE2 TYR A 65 6.026 3.862 -17.034 1.00 2.20 H new ATOM 0 HH TYR A 65 3.817 3.831 -15.727 1.00 34.24 H new ATOM 1062 N ASP A 66 8.832 -0.489 -15.714 1.00 44.51 N ATOM 1063 CA ASP A 66 8.155 -1.359 -16.717 1.00 5.02 C ATOM 1064 C ASP A 66 7.983 -2.780 -16.176 1.00 13.41 C ATOM 1065 O ASP A 66 7.100 -3.507 -16.586 1.00 63.23 O ATOM 1066 CB ASP A 66 9.091 -1.365 -17.930 1.00 62.13 C ATOM 1067 CG ASP A 66 8.283 -1.540 -19.216 1.00 33.20 C ATOM 1068 OD1 ASP A 66 7.115 -1.874 -19.120 1.00 74.30 O ATOM 1069 OD2 ASP A 66 8.849 -1.334 -20.276 1.00 65.24 O ATOM 0 H ASP A 66 9.755 -0.155 -15.992 1.00 44.51 H new ATOM 0 HA ASP A 66 7.158 -0.994 -16.963 1.00 5.02 H new ATOM 0 HB2 ASP A 66 9.654 -0.433 -17.969 1.00 62.13 H new ATOM 0 HB3 ASP A 66 9.817 -2.172 -17.835 1.00 62.13 H new ATOM 1074 N GLN A 67 8.832 -3.184 -15.273 1.00 4.41 N ATOM 1075 CA GLN A 67 8.735 -4.564 -14.720 1.00 13.52 C ATOM 1076 C GLN A 67 7.466 -4.734 -13.885 1.00 64.05 C ATOM 1077 O GLN A 67 6.624 -5.558 -14.180 1.00 71.51 O ATOM 1078 CB GLN A 67 9.978 -4.727 -13.841 1.00 13.33 C ATOM 1079 CG GLN A 67 10.032 -6.151 -13.295 1.00 65.13 C ATOM 1080 CD GLN A 67 11.230 -6.293 -12.356 1.00 53.44 C ATOM 1081 OE1 GLN A 67 12.178 -5.537 -12.442 1.00 14.24 O ATOM 1082 NE2 GLN A 67 11.229 -7.236 -11.458 1.00 33.42 N ATOM 0 H GLN A 67 9.590 -2.617 -14.893 1.00 4.41 H new ATOM 0 HA GLN A 67 8.686 -5.312 -15.511 1.00 13.52 H new ATOM 0 HB2 GLN A 67 10.876 -4.514 -14.420 1.00 13.33 H new ATOM 0 HB3 GLN A 67 9.952 -4.012 -13.019 1.00 13.33 H new ATOM 0 HG2 GLN A 67 9.110 -6.383 -12.762 1.00 65.13 H new ATOM 0 HG3 GLN A 67 10.114 -6.864 -14.116 1.00 65.13 H new ATOM 0 HE21 GLN A 67 10.434 -7.870 -11.386 1.00 33.42 H new ATOM 0 HE22 GLN A 67 12.024 -7.340 -10.827 1.00 33.42 H new ATOM 1091 N MET A 68 7.326 -3.981 -12.836 1.00 34.13 N ATOM 1092 CA MET A 68 6.108 -4.137 -11.983 1.00 30.23 C ATOM 1093 C MET A 68 4.863 -3.522 -12.659 1.00 70.42 C ATOM 1094 O MET A 68 3.758 -3.977 -12.438 1.00 51.44 O ATOM 1095 CB MET A 68 6.429 -3.419 -10.671 1.00 40.20 C ATOM 1096 CG MET A 68 6.993 -2.064 -10.976 1.00 40.23 C ATOM 1097 SD MET A 68 8.584 -1.798 -10.171 1.00 13.51 S ATOM 1098 CE MET A 68 8.682 -0.131 -10.833 1.00 62.11 C ATOM 0 H MET A 68 7.990 -3.270 -12.529 1.00 34.13 H new ATOM 0 HA MET A 68 5.872 -5.189 -11.820 1.00 30.23 H new ATOM 0 HB2 MET A 68 5.528 -3.323 -10.065 1.00 40.20 H new ATOM 0 HB3 MET A 68 7.144 -4.001 -10.089 1.00 40.20 H new ATOM 0 HG2 MET A 68 7.109 -1.954 -12.054 1.00 40.23 H new ATOM 0 HG3 MET A 68 6.290 -1.297 -10.651 1.00 40.23 H new ATOM 0 HE1 MET A 68 9.722 0.115 -11.046 1.00 62.11 H new ATOM 0 HE2 MET A 68 8.099 -0.070 -11.752 1.00 62.11 H new ATOM 0 HE3 MET A 68 8.285 0.574 -10.103 1.00 62.11 H new ATOM 1108 N TRP A 69 5.009 -2.500 -13.479 1.00 1.10 N ATOM 1109 CA TRP A 69 3.793 -1.910 -14.134 1.00 34.13 C ATOM 1110 C TRP A 69 3.023 -2.994 -14.917 1.00 73.34 C ATOM 1111 O TRP A 69 2.220 -3.712 -14.353 1.00 42.43 O ATOM 1112 CB TRP A 69 4.322 -0.804 -15.059 1.00 63.22 C ATOM 1113 CG TRP A 69 3.309 0.295 -15.217 1.00 61.04 C ATOM 1114 CD1 TRP A 69 3.585 1.600 -15.046 1.00 45.45 C ATOM 1115 CD2 TRP A 69 1.895 0.229 -15.566 1.00 62.30 C ATOM 1116 NE1 TRP A 69 2.450 2.344 -15.285 1.00 44.14 N ATOM 1117 CE2 TRP A 69 1.379 1.547 -15.611 1.00 62.00 C ATOM 1118 CE3 TRP A 69 1.022 -0.826 -15.851 1.00 15.21 C ATOM 1119 CZ2 TRP A 69 0.048 1.806 -15.928 1.00 42.22 C ATOM 1120 CZ3 TRP A 69 -0.317 -0.575 -16.166 1.00 14.41 C ATOM 1121 CH2 TRP A 69 -0.807 0.739 -16.207 1.00 40.12 C ATOM 0 H TRP A 69 5.897 -2.059 -13.718 1.00 1.10 H new ATOM 0 HA TRP A 69 3.087 -1.506 -13.408 1.00 34.13 H new ATOM 0 HB2 TRP A 69 5.247 -0.395 -14.652 1.00 63.22 H new ATOM 0 HB3 TRP A 69 4.562 -1.225 -16.035 1.00 63.22 H new ATOM 0 HD1 TRP A 69 4.547 2.003 -14.765 1.00 45.45 H new ATOM 0 HE1 TRP A 69 2.410 3.362 -15.227 1.00 44.14 H new ATOM 0 HE3 TRP A 69 1.385 -1.843 -15.828 1.00 15.21 H new ATOM 0 HZ2 TRP A 69 -0.319 2.821 -15.958 1.00 42.22 H new ATOM 0 HZ3 TRP A 69 -0.980 -1.400 -16.380 1.00 14.41 H new ATOM 0 HH2 TRP A 69 -1.842 0.924 -16.454 1.00 40.12 H new ATOM 1132 N GLN A 70 3.224 -3.101 -16.211 1.00 21.30 N ATOM 1133 CA GLN A 70 2.461 -4.111 -17.009 1.00 33.32 C ATOM 1134 C GLN A 70 3.259 -5.403 -17.215 1.00 23.33 C ATOM 1135 O GLN A 70 2.692 -6.448 -17.462 1.00 53.31 O ATOM 1136 CB GLN A 70 2.213 -3.419 -18.352 1.00 2.44 C ATOM 1137 CG GLN A 70 1.782 -4.447 -19.404 1.00 62.30 C ATOM 1138 CD GLN A 70 0.369 -4.940 -19.091 1.00 12.34 C ATOM 1139 OE1 GLN A 70 0.166 -6.106 -18.815 1.00 54.44 O ATOM 1140 NE2 GLN A 70 -0.625 -4.094 -19.124 1.00 42.03 N ATOM 0 H GLN A 70 3.882 -2.534 -16.746 1.00 21.30 H new ATOM 0 HA GLN A 70 1.543 -4.411 -16.504 1.00 33.32 H new ATOM 0 HB2 GLN A 70 1.442 -2.657 -18.240 1.00 2.44 H new ATOM 0 HB3 GLN A 70 3.119 -2.910 -18.680 1.00 2.44 H new ATOM 0 HG2 GLN A 70 1.810 -3.999 -20.397 1.00 62.30 H new ATOM 0 HG3 GLN A 70 2.477 -5.286 -19.413 1.00 62.30 H new ATOM 0 HE21 GLN A 70 -0.454 -3.115 -19.356 1.00 42.03 H new ATOM 0 HE22 GLN A 70 -1.572 -4.412 -18.918 1.00 42.03 H new ATOM 1149 N HIS A 71 4.559 -5.353 -17.130 1.00 31.34 N ATOM 1150 CA HIS A 71 5.356 -6.599 -17.338 1.00 73.22 C ATOM 1151 C HIS A 71 5.284 -7.497 -16.097 1.00 70.12 C ATOM 1152 O HIS A 71 5.959 -8.503 -16.008 1.00 41.24 O ATOM 1153 CB HIS A 71 6.787 -6.122 -17.589 1.00 25.21 C ATOM 1154 CG HIS A 71 6.810 -5.211 -18.789 1.00 23.42 C ATOM 1155 ND1 HIS A 71 7.975 -4.947 -19.494 1.00 14.42 N ATOM 1156 CD2 HIS A 71 5.820 -4.500 -19.424 1.00 21.22 C ATOM 1157 CE1 HIS A 71 7.659 -4.110 -20.500 1.00 2.21 C ATOM 1158 NE2 HIS A 71 6.359 -3.807 -20.504 1.00 3.21 N ATOM 0 H HIS A 71 5.102 -4.513 -16.928 1.00 31.34 H new ATOM 0 HA HIS A 71 4.979 -7.194 -18.170 1.00 73.22 H new ATOM 0 HB2 HIS A 71 7.165 -5.596 -16.712 1.00 25.21 H new ATOM 0 HB3 HIS A 71 7.443 -6.977 -17.755 1.00 25.21 H new ATOM 0 HD2 HIS A 71 4.781 -4.482 -19.130 1.00 21.22 H new ATOM 0 HE1 HIS A 71 8.371 -3.730 -21.217 1.00 2.21 H new ATOM 0 HE2 HIS A 71 5.867 -3.198 -21.158 1.00 3.21 H new ATOM 1166 N ARG A 72 4.461 -7.152 -15.142 1.00 33.33 N ATOM 1167 CA ARG A 72 4.344 -7.998 -13.921 1.00 73.54 C ATOM 1168 C ARG A 72 5.685 -8.064 -13.187 1.00 71.04 C ATOM 1169 O ARG A 72 5.669 -8.254 -11.981 1.00 33.23 O ATOM 1170 CB ARG A 72 3.949 -9.384 -14.437 1.00 62.24 C ATOM 1171 CG ARG A 72 2.880 -9.246 -15.528 1.00 71.52 C ATOM 1172 CD ARG A 72 1.636 -10.044 -15.132 1.00 13.14 C ATOM 1173 NE ARG A 72 0.935 -10.331 -16.417 1.00 3.23 N ATOM 1174 CZ ARG A 72 1.153 -11.456 -17.045 1.00 61.25 C ATOM 1175 NH1 ARG A 72 2.360 -11.949 -17.103 1.00 22.23 N ATOM 1176 NH2 ARG A 72 0.164 -12.090 -17.615 1.00 11.15 N ATOM 1177 OXT ARG A 72 6.705 -7.924 -13.841 1.00 33.23 O ATOM 0 H ARG A 72 3.867 -6.323 -15.156 1.00 33.33 H new ATOM 0 HA ARG A 72 3.616 -7.600 -13.214 1.00 73.54 H new ATOM 0 HB2 ARG A 72 4.824 -9.897 -14.835 1.00 62.24 H new ATOM 0 HB3 ARG A 72 3.568 -9.993 -13.617 1.00 62.24 H new ATOM 0 HG2 ARG A 72 2.622 -8.196 -15.667 1.00 71.52 H new ATOM 0 HG3 ARG A 72 3.269 -9.608 -16.480 1.00 71.52 H new ATOM 0 HD2 ARG A 72 1.906 -10.965 -14.616 1.00 13.14 H new ATOM 0 HD3 ARG A 72 1.000 -9.474 -14.455 1.00 13.14 H new ATOM 0 HE ARG A 72 0.285 -9.648 -16.806 1.00 3.23 H new ATOM 0 HH11 ARG A 72 3.134 -11.456 -16.658 1.00 22.23 H new ATOM 0 HH12 ARG A 72 2.529 -12.827 -17.593 1.00 22.23 H new ATOM 0 HH21 ARG A 72 -0.780 -11.707 -17.570 1.00 11.15 H new ATOM 0 HH22 ARG A 72 0.336 -12.968 -18.105 1.00 11.15 H new TER 1191 ARG A 72