USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 785 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 43 THR OG1 : rot -71:sc= 1.43 USER MOD Set 1.2: A 47 THR OG1 : rot -3:sc= 0.28 USER MOD Set 2.1: A 9 SER OG : rot 180:sc= 0.59 USER MOD Set 2.2: A 51 LYS NZ :NH3+ -168:sc= -0.423 (180deg=-1) USER MOD Single : A 5 ASN :FLIP amide:sc= 0.398 F(o=-0.19,f=0.4) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 119:sc= -3.71! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.31) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.66 K(o=-1.7,f=-2.7!) USER MOD Single : A 32 LYS NZ :NH3+ 151:sc= -0.366 (180deg=-1.52!) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= -0.0493 (180deg=-0.333) USER MOD Single : A 41 GLN : amide:sc= -1.42 K(o=-1.4,f=-4.7!) USER MOD Single : A 42 ASN : amide:sc= -1.05 K(o=-1,f=-3.1!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -1.3 K(o=-1.3,f=-12!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= 1.22 (180deg=1.07) USER MOD Single : A 62 MET CE :methyl -178:sc= -6.83! (180deg=-6.88!) USER MOD Single : A 63 GLN : amide:sc= -0.0352 X(o=-0.035,f=-0.27) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.178 USER MOD Single : A 74 SER OG : rot -160:sc= -2.41! USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0632) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.197 K(o=-0.2,f=-2.2!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.164 K(o=-0.16,f=-2.3!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 40 N ASN A 5 5.355 -6.636 -9.595 1.00 20.44 N ATOM 41 CA ASN A 5 6.538 -7.484 -9.502 1.00 44.22 C ATOM 42 C ASN A 5 6.481 -8.613 -10.527 1.00 54.40 C ATOM 43 O ASN A 5 6.925 -9.730 -10.263 1.00 35.55 O ATOM 44 CB ASN A 5 6.666 -8.066 -8.093 1.00 11.42 C ATOM 45 CG ASN A 5 5.561 -9.054 -7.773 1.00 40.03 C ATOM 46 OD1 ASN A 5 5.942 -10.231 -7.291 1.00 23.05 O flip ATOM 47 ND2 ASN A 5 4.379 -8.762 -7.958 1.00 71.32 N flip ATOM 0 HA ASN A 5 7.412 -6.868 -9.714 1.00 44.22 H new ATOM 0 HB2 ASN A 5 7.632 -8.561 -7.994 1.00 11.42 H new ATOM 0 HB3 ASN A 5 6.647 -7.255 -7.365 1.00 11.42 H new ATOM 0 HD21 ASN A 5 4.132 -7.845 -8.330 1.00 71.32 H new ATOM 0 HD22 ASN A 5 3.647 -9.437 -7.739 1.00 71.32 H new ATOM 54 N THR A 6 5.931 -8.312 -11.700 1.00 33.43 N ATOM 55 CA THR A 6 5.814 -9.301 -12.764 1.00 50.34 C ATOM 56 C THR A 6 7.078 -9.344 -13.615 1.00 50.14 C ATOM 57 O THR A 6 7.374 -8.403 -14.353 1.00 64.24 O ATOM 58 CB THR A 6 4.606 -9.007 -13.674 1.00 42.50 C ATOM 59 OG1 THR A 6 3.485 -8.597 -12.883 1.00 2.13 O ATOM 60 CG2 THR A 6 4.234 -10.233 -14.493 1.00 30.30 C ATOM 0 H THR A 6 5.560 -7.392 -11.936 1.00 33.43 H new ATOM 0 HA THR A 6 5.670 -10.268 -12.282 1.00 50.34 H new ATOM 0 HB THR A 6 4.881 -8.204 -14.357 1.00 42.50 H new ATOM 0 HG1 THR A 6 2.722 -8.410 -13.469 1.00 2.13 H new ATOM 0 HG21 THR A 6 3.379 -10.001 -15.128 1.00 30.30 H new ATOM 0 HG22 THR A 6 5.079 -10.525 -15.116 1.00 30.30 H new ATOM 0 HG23 THR A 6 3.977 -11.054 -13.823 1.00 30.30 H new ATOM 68 N LEU A 7 7.820 -10.441 -13.509 1.00 52.31 N ATOM 69 CA LEU A 7 9.053 -10.607 -14.270 1.00 41.04 C ATOM 70 C LEU A 7 8.785 -11.316 -15.594 1.00 55.20 C ATOM 71 O LEU A 7 7.935 -12.204 -15.672 1.00 64.15 O ATOM 72 CB LEU A 7 10.077 -11.398 -13.454 1.00 11.41 C ATOM 73 CG LEU A 7 10.673 -10.676 -12.245 1.00 33.04 C ATOM 74 CD1 LEU A 7 11.082 -11.676 -11.175 1.00 24.22 C ATOM 75 CD2 LEU A 7 11.862 -9.824 -12.664 1.00 73.24 C ATOM 0 H LEU A 7 7.589 -11.229 -12.903 1.00 52.31 H new ATOM 0 HA LEU A 7 9.454 -9.616 -14.484 1.00 41.04 H new ATOM 0 HB2 LEU A 7 9.604 -12.317 -13.107 1.00 11.41 H new ATOM 0 HB3 LEU A 7 10.892 -11.690 -14.116 1.00 11.41 H new ATOM 0 HG LEU A 7 9.911 -10.018 -11.827 1.00 33.04 H new ATOM 0 HD11 LEU A 7 11.504 -11.144 -10.322 1.00 24.22 H new ATOM 0 HD12 LEU A 7 10.208 -12.242 -10.853 1.00 24.22 H new ATOM 0 HD13 LEU A 7 11.828 -12.359 -11.582 1.00 24.22 H new ATOM 0 HD21 LEU A 7 12.273 -9.318 -11.790 1.00 73.24 H new ATOM 0 HD22 LEU A 7 12.627 -10.461 -13.108 1.00 73.24 H new ATOM 0 HD23 LEU A 7 11.539 -9.082 -13.394 1.00 73.24 H new ATOM 87 N ILE A 8 9.515 -10.919 -16.631 1.00 13.44 N ATOM 88 CA ILE A 8 9.357 -11.518 -17.950 1.00 23.32 C ATOM 89 C ILE A 8 10.689 -11.572 -18.692 1.00 15.04 C ATOM 90 O ILE A 8 11.728 -11.194 -18.151 1.00 72.10 O ATOM 91 CB ILE A 8 8.338 -10.741 -18.803 1.00 73.34 C ATOM 92 CG1 ILE A 8 8.775 -9.283 -18.957 1.00 54.02 C ATOM 93 CG2 ILE A 8 6.953 -10.822 -18.179 1.00 10.05 C ATOM 94 CD1 ILE A 8 8.180 -8.598 -20.168 1.00 32.42 C ATOM 0 H ILE A 8 10.222 -10.185 -16.583 1.00 13.44 H new ATOM 0 HA ILE A 8 8.989 -12.532 -17.794 1.00 23.32 H new ATOM 0 HB ILE A 8 8.295 -11.194 -19.793 1.00 73.34 H new ATOM 0 HG12 ILE A 8 8.491 -8.731 -18.061 1.00 54.02 H new ATOM 0 HG13 ILE A 8 9.862 -9.243 -19.025 1.00 54.02 H new ATOM 0 HG21 ILE A 8 6.244 -10.268 -18.794 1.00 10.05 H new ATOM 0 HG22 ILE A 8 6.642 -11.865 -18.117 1.00 10.05 H new ATOM 0 HG23 ILE A 8 6.979 -10.391 -17.178 1.00 10.05 H new ATOM 0 HD11 ILE A 8 8.533 -7.568 -20.213 1.00 32.42 H new ATOM 0 HD12 ILE A 8 8.485 -9.126 -21.071 1.00 32.42 H new ATOM 0 HD13 ILE A 8 7.093 -8.606 -20.093 1.00 32.42 H new ATOM 106 N SER A 9 10.649 -12.043 -19.934 1.00 52.41 N ATOM 107 CA SER A 9 11.852 -12.148 -20.751 1.00 4.44 C ATOM 108 C SER A 9 11.508 -12.087 -22.236 1.00 24.53 C ATOM 109 O SER A 9 10.995 -13.050 -22.805 1.00 73.44 O ATOM 110 CB SER A 9 12.593 -13.450 -20.439 1.00 43.54 C ATOM 111 OG SER A 9 13.319 -13.905 -21.568 1.00 22.43 O ATOM 0 H SER A 9 9.796 -12.358 -20.397 1.00 52.41 H new ATOM 0 HA SER A 9 12.499 -11.304 -20.512 1.00 4.44 H new ATOM 0 HB2 SER A 9 13.275 -13.293 -19.603 1.00 43.54 H new ATOM 0 HB3 SER A 9 11.879 -14.213 -20.129 1.00 43.54 H new ATOM 0 HG SER A 9 13.785 -14.737 -21.343 1.00 22.43 H new ATOM 117 N VAL A 10 11.796 -10.948 -22.858 1.00 34.24 N ATOM 118 CA VAL A 10 11.518 -10.761 -24.277 1.00 3.13 C ATOM 119 C VAL A 10 12.752 -10.256 -25.016 1.00 24.02 C ATOM 120 O VAL A 10 13.330 -9.231 -24.653 1.00 30.22 O ATOM 121 CB VAL A 10 10.360 -9.769 -24.496 1.00 64.22 C ATOM 122 CG1 VAL A 10 10.653 -8.446 -23.806 1.00 52.42 C ATOM 123 CG2 VAL A 10 10.112 -9.562 -25.983 1.00 11.45 C ATOM 0 H VAL A 10 12.222 -10.141 -22.402 1.00 34.24 H new ATOM 0 HA VAL A 10 11.232 -11.735 -24.675 1.00 3.13 H new ATOM 0 HB VAL A 10 9.456 -10.188 -24.055 1.00 64.22 H new ATOM 0 HG11 VAL A 10 9.824 -7.758 -23.972 1.00 52.42 H new ATOM 0 HG12 VAL A 10 10.777 -8.613 -22.736 1.00 52.42 H new ATOM 0 HG13 VAL A 10 11.568 -8.017 -24.215 1.00 52.42 H new ATOM 0 HG21 VAL A 10 9.291 -8.859 -26.120 1.00 11.45 H new ATOM 0 HG22 VAL A 10 11.013 -9.164 -26.450 1.00 11.45 H new ATOM 0 HG23 VAL A 10 9.854 -10.515 -26.445 1.00 11.45 H new ATOM 133 N ASP A 11 13.151 -10.982 -26.054 1.00 41.25 N ATOM 134 CA ASP A 11 14.317 -10.607 -26.847 1.00 15.11 C ATOM 135 C ASP A 11 13.918 -10.298 -28.287 1.00 1.54 C ATOM 136 O ASP A 11 12.953 -10.857 -28.808 1.00 64.23 O ATOM 137 CB ASP A 11 15.358 -11.727 -26.822 1.00 42.43 C ATOM 138 CG ASP A 11 16.588 -11.391 -27.643 1.00 21.21 C ATOM 139 OD1 ASP A 11 17.203 -10.334 -27.387 1.00 34.42 O ATOM 140 OD2 ASP A 11 16.937 -12.186 -28.540 1.00 73.05 O ATOM 0 H ASP A 11 12.685 -11.834 -26.367 1.00 41.25 H new ATOM 0 HA ASP A 11 14.751 -9.708 -26.409 1.00 15.11 H new ATOM 0 HB2 ASP A 11 15.654 -11.921 -25.791 1.00 42.43 H new ATOM 0 HB3 ASP A 11 14.910 -12.645 -27.203 1.00 42.43 H new ATOM 145 N TYR A 12 14.666 -9.403 -28.923 1.00 12.35 N ATOM 146 CA TYR A 12 14.389 -9.016 -30.301 1.00 34.02 C ATOM 147 C TYR A 12 15.559 -8.238 -30.894 1.00 40.22 C ATOM 148 O TYR A 12 16.502 -7.881 -30.189 1.00 20.22 O ATOM 149 CB TYR A 12 13.114 -8.173 -30.370 1.00 20.14 C ATOM 150 CG TYR A 12 13.088 -7.032 -29.378 1.00 23.35 C ATOM 151 CD1 TYR A 12 13.982 -5.974 -29.482 1.00 42.03 C ATOM 152 CD2 TYR A 12 12.169 -7.013 -28.336 1.00 11.42 C ATOM 153 CE1 TYR A 12 13.963 -4.930 -28.578 1.00 35.23 C ATOM 154 CE2 TYR A 12 12.141 -5.972 -27.427 1.00 60.23 C ATOM 155 CZ TYR A 12 13.040 -4.934 -27.552 1.00 41.42 C ATOM 156 OH TYR A 12 13.016 -3.895 -26.650 1.00 4.02 O ATOM 0 H TYR A 12 15.469 -8.932 -28.506 1.00 12.35 H new ATOM 0 HA TYR A 12 14.247 -9.925 -30.885 1.00 34.02 H new ATOM 0 HB2 TYR A 12 13.009 -7.770 -31.377 1.00 20.14 H new ATOM 0 HB3 TYR A 12 12.253 -8.817 -30.193 1.00 20.14 H new ATOM 0 HD1 TYR A 12 14.705 -5.968 -30.284 1.00 42.03 H new ATOM 0 HD2 TYR A 12 11.465 -7.825 -28.235 1.00 11.42 H new ATOM 0 HE1 TYR A 12 14.666 -4.116 -28.673 1.00 35.23 H new ATOM 0 HE2 TYR A 12 11.419 -5.972 -26.624 1.00 60.23 H new ATOM 0 HH TYR A 12 12.146 -3.446 -26.691 1.00 4.02 H new ATOM 166 N GLU A 13 15.489 -7.978 -32.196 1.00 61.11 N ATOM 167 CA GLU A 13 16.543 -7.242 -32.885 1.00 73.32 C ATOM 168 C GLU A 13 15.973 -6.024 -33.607 1.00 61.51 C ATOM 169 O GLU A 13 15.612 -6.099 -34.782 1.00 62.10 O ATOM 170 CB GLU A 13 17.261 -8.152 -33.885 1.00 14.33 C ATOM 171 CG GLU A 13 16.317 -8.940 -34.777 1.00 32.42 C ATOM 172 CD GLU A 13 15.994 -10.312 -34.216 1.00 52.22 C ATOM 173 OE1 GLU A 13 16.891 -10.931 -33.608 1.00 22.22 O ATOM 174 OE2 GLU A 13 14.843 -10.765 -34.386 1.00 75.32 O ATOM 0 H GLU A 13 14.715 -8.266 -32.794 1.00 61.11 H new ATOM 0 HA GLU A 13 17.259 -6.898 -32.138 1.00 73.32 H new ATOM 0 HB2 GLU A 13 17.916 -7.545 -34.510 1.00 14.33 H new ATOM 0 HB3 GLU A 13 17.897 -8.848 -33.338 1.00 14.33 H new ATOM 0 HG2 GLU A 13 15.392 -8.378 -34.908 1.00 32.42 H new ATOM 0 HG3 GLU A 13 16.764 -9.051 -35.765 1.00 32.42 H new ATOM 181 N ILE A 14 15.895 -4.905 -32.895 1.00 64.15 N ATOM 182 CA ILE A 14 15.371 -3.672 -33.468 1.00 15.42 C ATOM 183 C ILE A 14 16.064 -3.338 -34.784 1.00 54.14 C ATOM 184 O ILE A 14 17.258 -3.588 -34.951 1.00 34.32 O ATOM 185 CB ILE A 14 15.536 -2.486 -32.499 1.00 23.24 C ATOM 186 CG1 ILE A 14 14.808 -2.769 -31.183 1.00 23.31 C ATOM 187 CG2 ILE A 14 15.015 -1.206 -33.134 1.00 0.22 C ATOM 188 CD1 ILE A 14 13.341 -3.090 -31.361 1.00 71.52 C ATOM 0 H ILE A 14 16.188 -4.827 -31.921 1.00 64.15 H new ATOM 0 HA ILE A 14 14.309 -3.837 -33.651 1.00 15.42 H new ATOM 0 HB ILE A 14 16.597 -2.356 -32.285 1.00 23.24 H new ATOM 0 HG12 ILE A 14 15.296 -3.604 -30.680 1.00 23.31 H new ATOM 0 HG13 ILE A 14 14.905 -1.902 -30.530 1.00 23.31 H new ATOM 0 HG21 ILE A 14 15.139 -0.377 -32.437 1.00 0.22 H new ATOM 0 HG22 ILE A 14 15.574 -0.999 -34.047 1.00 0.22 H new ATOM 0 HG23 ILE A 14 13.958 -1.323 -33.375 1.00 0.22 H new ATOM 0 HD11 ILE A 14 12.889 -3.279 -30.387 1.00 71.52 H new ATOM 0 HD12 ILE A 14 12.839 -2.247 -31.836 1.00 71.52 H new ATOM 0 HD13 ILE A 14 13.236 -3.975 -31.988 1.00 71.52 H new ATOM 200 N PHE A 15 15.307 -2.770 -35.718 1.00 1.44 N ATOM 201 CA PHE A 15 15.849 -2.400 -37.020 1.00 75.22 C ATOM 202 C PHE A 15 16.259 -0.931 -37.042 1.00 2.35 C ATOM 203 O PHE A 15 16.299 -0.271 -36.004 1.00 54.31 O ATOM 204 CB PHE A 15 14.819 -2.670 -38.119 1.00 54.52 C ATOM 205 CG PHE A 15 14.076 -3.963 -37.941 1.00 14.44 C ATOM 206 CD1 PHE A 15 14.741 -5.109 -37.537 1.00 33.00 C ATOM 207 CD2 PHE A 15 12.712 -4.032 -38.177 1.00 1.31 C ATOM 208 CE1 PHE A 15 14.060 -6.301 -37.371 1.00 50.43 C ATOM 209 CE2 PHE A 15 12.026 -5.220 -38.013 1.00 20.25 C ATOM 210 CZ PHE A 15 12.701 -6.356 -37.610 1.00 71.24 C ATOM 0 H PHE A 15 14.317 -2.556 -35.597 1.00 1.44 H new ATOM 0 HA PHE A 15 16.735 -3.008 -37.203 1.00 75.22 H new ATOM 0 HB2 PHE A 15 14.102 -1.849 -38.144 1.00 54.52 H new ATOM 0 HB3 PHE A 15 15.324 -2.681 -39.085 1.00 54.52 H new ATOM 0 HD1 PHE A 15 15.804 -5.071 -37.349 1.00 33.00 H new ATOM 0 HD2 PHE A 15 12.179 -3.147 -38.493 1.00 1.31 H new ATOM 0 HE1 PHE A 15 14.590 -7.187 -37.055 1.00 50.43 H new ATOM 0 HE2 PHE A 15 10.963 -5.261 -38.200 1.00 20.25 H new ATOM 0 HZ PHE A 15 12.167 -7.286 -37.482 1.00 71.24 H new ATOM 220 N GLY A 16 16.565 -0.425 -38.233 1.00 23.04 N ATOM 221 CA GLY A 16 16.970 0.962 -38.368 1.00 12.11 C ATOM 222 C GLY A 16 18.431 1.106 -38.746 1.00 33.32 C ATOM 223 O GLY A 16 19.138 0.112 -38.912 1.00 72.42 O ATOM 0 H GLY A 16 16.540 -0.951 -39.107 1.00 23.04 H new ATOM 0 HA2 GLY A 16 16.353 1.445 -39.125 1.00 12.11 H new ATOM 0 HA3 GLY A 16 16.788 1.483 -37.428 1.00 12.11 H new ATOM 227 N LYS A 17 18.885 2.347 -38.884 1.00 23.43 N ATOM 228 CA LYS A 17 20.271 2.618 -39.245 1.00 45.50 C ATOM 229 C LYS A 17 21.176 2.558 -38.018 1.00 35.11 C ATOM 230 O LYS A 17 21.856 3.529 -37.688 1.00 24.25 O ATOM 231 CB LYS A 17 20.387 3.992 -39.909 1.00 51.33 C ATOM 232 CG LYS A 17 19.860 5.129 -39.051 1.00 3.23 C ATOM 233 CD LYS A 17 20.558 6.440 -39.372 1.00 4.12 C ATOM 234 CE LYS A 17 21.879 6.566 -38.627 1.00 74.41 C ATOM 235 NZ LYS A 17 22.779 7.569 -39.260 1.00 21.23 N ATOM 0 H LYS A 17 18.313 3.181 -38.751 1.00 23.43 H new ATOM 0 HA LYS A 17 20.592 1.851 -39.950 1.00 45.50 H new ATOM 0 HB2 LYS A 17 21.433 4.183 -40.148 1.00 51.33 H new ATOM 0 HB3 LYS A 17 19.842 3.977 -40.853 1.00 51.33 H new ATOM 0 HG2 LYS A 17 18.787 5.239 -39.210 1.00 3.23 H new ATOM 0 HG3 LYS A 17 20.003 4.888 -37.998 1.00 3.23 H new ATOM 0 HD2 LYS A 17 20.737 6.505 -40.445 1.00 4.12 H new ATOM 0 HD3 LYS A 17 19.908 7.274 -39.106 1.00 4.12 H new ATOM 0 HE2 LYS A 17 21.687 6.852 -37.593 1.00 74.41 H new ATOM 0 HE3 LYS A 17 22.376 5.596 -38.603 1.00 74.41 H new ATOM 0 HZ1 LYS A 17 23.668 7.625 -38.723 1.00 21.23 H new ATOM 0 HZ2 LYS A 17 22.983 7.283 -40.239 1.00 21.23 H new ATOM 0 HZ3 LYS A 17 22.315 8.500 -39.261 1.00 21.23 H new ATOM 249 N VAL A 18 21.178 1.411 -37.347 1.00 23.54 N ATOM 250 CA VAL A 18 22.001 1.223 -36.158 1.00 31.45 C ATOM 251 C VAL A 18 23.381 0.686 -36.523 1.00 15.51 C ATOM 252 O VAL A 18 23.861 -0.276 -35.925 1.00 74.44 O ATOM 253 CB VAL A 18 21.334 0.256 -35.161 1.00 0.12 C ATOM 254 CG1 VAL A 18 20.040 0.850 -34.625 1.00 62.01 C ATOM 255 CG2 VAL A 18 21.080 -1.093 -35.816 1.00 52.13 C ATOM 0 H VAL A 18 20.619 0.598 -37.606 1.00 23.54 H new ATOM 0 HA VAL A 18 22.107 2.201 -35.689 1.00 31.45 H new ATOM 0 HB VAL A 18 22.011 0.104 -34.321 1.00 0.12 H new ATOM 0 HG11 VAL A 18 19.583 0.153 -33.923 1.00 62.01 H new ATOM 0 HG12 VAL A 18 20.254 1.790 -34.116 1.00 62.01 H new ATOM 0 HG13 VAL A 18 19.354 1.034 -35.452 1.00 62.01 H new ATOM 0 HG21 VAL A 18 20.609 -1.763 -35.097 1.00 52.13 H new ATOM 0 HG22 VAL A 18 20.423 -0.962 -36.676 1.00 52.13 H new ATOM 0 HG23 VAL A 18 22.027 -1.522 -36.145 1.00 52.13 H new ATOM 265 N GLN A 19 24.013 1.317 -37.507 1.00 53.03 N ATOM 266 CA GLN A 19 25.338 0.903 -37.952 1.00 70.34 C ATOM 267 C GLN A 19 26.375 1.980 -37.652 1.00 13.12 C ATOM 268 O GLN A 19 27.406 1.709 -37.039 1.00 4.22 O ATOM 269 CB GLN A 19 25.323 0.596 -39.451 1.00 2.31 C ATOM 270 CG GLN A 19 24.342 -0.499 -39.838 1.00 44.44 C ATOM 271 CD GLN A 19 24.114 -0.575 -41.335 1.00 50.52 C ATOM 272 OE1 GLN A 19 24.920 -1.147 -42.070 1.00 34.25 O ATOM 273 NE2 GLN A 19 23.011 0.004 -41.796 1.00 43.21 N ATOM 0 H GLN A 19 23.629 2.116 -38.011 1.00 53.03 H new ATOM 0 HA GLN A 19 25.611 0.000 -37.406 1.00 70.34 H new ATOM 0 HB2 GLN A 19 25.073 1.506 -39.997 1.00 2.31 H new ATOM 0 HB3 GLN A 19 26.325 0.302 -39.763 1.00 2.31 H new ATOM 0 HG2 GLN A 19 24.716 -1.459 -39.482 1.00 44.44 H new ATOM 0 HG3 GLN A 19 23.390 -0.322 -39.338 1.00 44.44 H new ATOM 0 HE21 GLN A 19 22.370 0.467 -41.151 1.00 43.21 H new ATOM 0 HE22 GLN A 19 22.805 -0.014 -42.795 1.00 43.21 H new ATOM 282 N GLY A 20 26.093 3.204 -38.088 1.00 50.04 N ATOM 283 CA GLY A 20 27.011 4.304 -37.857 1.00 21.21 C ATOM 284 C GLY A 20 26.725 5.035 -36.560 1.00 72.03 C ATOM 285 O GLY A 20 26.708 6.265 -36.524 1.00 14.44 O ATOM 0 H GLY A 20 25.245 3.453 -38.597 1.00 50.04 H new ATOM 0 HA2 GLY A 20 28.032 3.923 -37.838 1.00 21.21 H new ATOM 0 HA3 GLY A 20 26.948 5.007 -38.688 1.00 21.21 H new ATOM 289 N VAL A 21 26.498 4.276 -35.493 1.00 12.44 N ATOM 290 CA VAL A 21 26.210 4.860 -34.188 1.00 20.44 C ATOM 291 C VAL A 21 26.954 4.122 -33.080 1.00 34.20 C ATOM 292 O VAL A 21 26.971 2.891 -33.042 1.00 13.32 O ATOM 293 CB VAL A 21 24.701 4.835 -33.882 1.00 75.23 C ATOM 294 CG1 VAL A 21 24.172 3.409 -33.916 1.00 22.24 C ATOM 295 CG2 VAL A 21 24.419 5.485 -32.536 1.00 51.33 C ATOM 0 H VAL A 21 26.508 3.256 -35.506 1.00 12.44 H new ATOM 0 HA VAL A 21 26.549 5.895 -34.223 1.00 20.44 H new ATOM 0 HB VAL A 21 24.183 5.407 -34.652 1.00 75.23 H new ATOM 0 HG11 VAL A 21 23.104 3.412 -33.697 1.00 22.24 H new ATOM 0 HG12 VAL A 21 24.339 2.983 -34.905 1.00 22.24 H new ATOM 0 HG13 VAL A 21 24.694 2.810 -33.170 1.00 22.24 H new ATOM 0 HG21 VAL A 21 23.348 5.458 -32.336 1.00 51.33 H new ATOM 0 HG22 VAL A 21 24.948 4.943 -31.752 1.00 51.33 H new ATOM 0 HG23 VAL A 21 24.759 6.520 -32.554 1.00 51.33 H new ATOM 305 N PHE A 22 27.567 4.882 -32.179 1.00 64.20 N ATOM 306 CA PHE A 22 28.314 4.300 -31.069 1.00 51.34 C ATOM 307 C PHE A 22 27.599 4.548 -29.744 1.00 43.01 C ATOM 308 O PHE A 22 28.184 5.082 -28.801 1.00 54.12 O ATOM 309 CB PHE A 22 29.727 4.884 -31.017 1.00 23.25 C ATOM 310 CG PHE A 22 29.766 6.377 -31.172 1.00 54.24 C ATOM 311 CD1 PHE A 22 29.809 6.955 -32.431 1.00 25.20 C ATOM 312 CD2 PHE A 22 29.758 7.203 -30.060 1.00 42.41 C ATOM 313 CE1 PHE A 22 29.844 8.329 -32.578 1.00 24.30 C ATOM 314 CE2 PHE A 22 29.793 8.578 -30.201 1.00 34.22 C ATOM 315 CZ PHE A 22 29.837 9.141 -31.461 1.00 50.22 C ATOM 0 H PHE A 22 27.562 5.902 -32.195 1.00 64.20 H new ATOM 0 HA PHE A 22 28.379 3.224 -31.231 1.00 51.34 H new ATOM 0 HB2 PHE A 22 30.188 4.613 -30.067 1.00 23.25 H new ATOM 0 HB3 PHE A 22 30.328 4.429 -31.804 1.00 23.25 H new ATOM 0 HD1 PHE A 22 29.815 6.324 -33.308 1.00 25.20 H new ATOM 0 HD2 PHE A 22 29.724 6.768 -29.072 1.00 42.41 H new ATOM 0 HE1 PHE A 22 29.877 8.767 -33.565 1.00 24.30 H new ATOM 0 HE2 PHE A 22 29.786 9.211 -29.326 1.00 34.22 H new ATOM 0 HZ PHE A 22 29.866 10.215 -31.573 1.00 50.22 H new ATOM 325 N PHE A 23 26.331 4.156 -29.680 1.00 50.55 N ATOM 326 CA PHE A 23 25.535 4.337 -28.472 1.00 71.11 C ATOM 327 C PHE A 23 25.234 2.994 -27.813 1.00 62.23 C ATOM 328 O PHE A 23 24.074 2.644 -27.594 1.00 64.20 O ATOM 329 CB PHE A 23 24.227 5.061 -28.801 1.00 25.25 C ATOM 330 CG PHE A 23 24.370 6.554 -28.869 1.00 10.45 C ATOM 331 CD1 PHE A 23 25.178 7.144 -29.828 1.00 21.54 C ATOM 332 CD2 PHE A 23 23.695 7.369 -27.974 1.00 4.41 C ATOM 333 CE1 PHE A 23 25.311 8.518 -29.892 1.00 25.43 C ATOM 334 CE2 PHE A 23 23.825 8.744 -28.033 1.00 54.34 C ATOM 335 CZ PHE A 23 24.633 9.319 -28.994 1.00 50.14 C ATOM 0 H PHE A 23 25.833 3.711 -30.451 1.00 50.55 H new ATOM 0 HA PHE A 23 26.112 4.943 -27.774 1.00 71.11 H new ATOM 0 HB2 PHE A 23 23.849 4.696 -29.756 1.00 25.25 H new ATOM 0 HB3 PHE A 23 23.482 4.809 -28.046 1.00 25.25 H new ATOM 0 HD1 PHE A 23 25.710 6.523 -30.533 1.00 21.54 H new ATOM 0 HD2 PHE A 23 23.060 6.925 -27.222 1.00 4.41 H new ATOM 0 HE1 PHE A 23 25.945 8.965 -30.644 1.00 25.43 H new ATOM 0 HE2 PHE A 23 23.295 9.368 -27.328 1.00 54.34 H new ATOM 0 HZ PHE A 23 24.735 10.393 -29.043 1.00 50.14 H new ATOM 345 N ARG A 24 26.287 2.246 -27.501 1.00 24.21 N ATOM 346 CA ARG A 24 26.137 0.941 -26.869 1.00 70.41 C ATOM 347 C ARG A 24 25.958 1.084 -25.361 1.00 1.15 C ATOM 348 O ARG A 24 25.495 0.162 -24.689 1.00 11.34 O ATOM 349 CB ARG A 24 27.353 0.062 -27.168 1.00 5.41 C ATOM 350 CG ARG A 24 26.999 -1.380 -27.489 1.00 21.45 C ATOM 351 CD ARG A 24 28.165 -2.110 -28.137 1.00 43.53 C ATOM 352 NE ARG A 24 27.977 -3.558 -28.130 1.00 43.25 N ATOM 353 CZ ARG A 24 28.724 -4.399 -28.837 1.00 72.12 C ATOM 354 NH1 ARG A 24 29.703 -3.939 -29.603 1.00 5.42 N ATOM 355 NH2 ARG A 24 28.491 -5.704 -28.779 1.00 23.24 N ATOM 0 H ARG A 24 27.253 2.521 -27.676 1.00 24.21 H new ATOM 0 HA ARG A 24 25.245 0.467 -27.280 1.00 70.41 H new ATOM 0 HB2 ARG A 24 27.901 0.488 -28.008 1.00 5.41 H new ATOM 0 HB3 ARG A 24 28.023 0.080 -26.309 1.00 5.41 H new ATOM 0 HG2 ARG A 24 26.708 -1.897 -26.574 1.00 21.45 H new ATOM 0 HG3 ARG A 24 26.137 -1.404 -28.156 1.00 21.45 H new ATOM 0 HD2 ARG A 24 28.283 -1.765 -29.164 1.00 43.53 H new ATOM 0 HD3 ARG A 24 29.086 -1.862 -27.610 1.00 43.53 H new ATOM 0 HE ARG A 24 27.232 -3.945 -27.551 1.00 43.25 H new ATOM 0 HH11 ARG A 24 29.885 -2.936 -29.651 1.00 5.42 H new ATOM 0 HH12 ARG A 24 30.275 -4.588 -30.144 1.00 5.42 H new ATOM 0 HH21 ARG A 24 27.738 -6.062 -28.191 1.00 23.24 H new ATOM 0 HH22 ARG A 24 29.065 -6.349 -29.322 1.00 23.24 H new ATOM 369 N LYS A 25 26.329 2.246 -24.834 1.00 1.30 N ATOM 370 CA LYS A 25 26.210 2.512 -23.405 1.00 53.44 C ATOM 371 C LYS A 25 24.880 3.190 -23.087 1.00 64.54 C ATOM 372 O LYS A 25 24.397 3.130 -21.956 1.00 72.14 O ATOM 373 CB LYS A 25 27.369 3.392 -22.931 1.00 14.11 C ATOM 374 CG LYS A 25 27.716 3.201 -21.465 1.00 5.22 C ATOM 375 CD LYS A 25 29.142 3.636 -21.169 1.00 10.13 C ATOM 376 CE LYS A 25 29.588 3.182 -19.787 1.00 72.54 C ATOM 377 NZ LYS A 25 30.016 1.755 -19.784 1.00 51.21 N ATOM 0 H LYS A 25 26.715 3.019 -25.376 1.00 1.30 H new ATOM 0 HA LYS A 25 26.247 1.558 -22.879 1.00 53.44 H new ATOM 0 HB2 LYS A 25 28.250 3.175 -23.536 1.00 14.11 H new ATOM 0 HB3 LYS A 25 27.114 4.438 -23.102 1.00 14.11 H new ATOM 0 HG2 LYS A 25 27.024 3.775 -20.848 1.00 5.22 H new ATOM 0 HG3 LYS A 25 27.591 2.153 -21.194 1.00 5.22 H new ATOM 0 HD2 LYS A 25 29.813 3.224 -21.923 1.00 10.13 H new ATOM 0 HD3 LYS A 25 29.214 4.721 -21.237 1.00 10.13 H new ATOM 0 HE2 LYS A 25 30.412 3.809 -19.447 1.00 72.54 H new ATOM 0 HE3 LYS A 25 28.771 3.318 -19.079 1.00 72.54 H new ATOM 0 HZ1 LYS A 25 30.312 1.484 -18.825 1.00 51.21 H new ATOM 0 HZ2 LYS A 25 29.222 1.154 -20.084 1.00 51.21 H new ATOM 0 HZ3 LYS A 25 30.813 1.630 -20.441 1.00 51.21 H new ATOM 391 N HIS A 26 24.293 3.832 -24.092 1.00 62.11 N ATOM 392 CA HIS A 26 23.018 4.519 -23.919 1.00 70.44 C ATOM 393 C HIS A 26 21.878 3.516 -23.763 1.00 2.42 C ATOM 394 O HIS A 26 20.841 3.826 -23.175 1.00 71.24 O ATOM 395 CB HIS A 26 22.744 5.438 -25.110 1.00 63.10 C ATOM 396 CG HIS A 26 22.027 6.700 -24.740 1.00 60.41 C ATOM 397 ND1 HIS A 26 22.319 7.426 -23.605 1.00 12.11 N ATOM 398 CD2 HIS A 26 21.026 7.364 -25.363 1.00 43.45 C ATOM 399 CE1 HIS A 26 21.527 8.482 -23.545 1.00 44.12 C ATOM 400 NE2 HIS A 26 20.734 8.468 -24.601 1.00 12.31 N ATOM 0 H HIS A 26 24.680 3.891 -25.034 1.00 62.11 H new ATOM 0 HA HIS A 26 23.077 5.120 -23.012 1.00 70.44 H new ATOM 0 HB2 HIS A 26 23.690 5.694 -25.586 1.00 63.10 H new ATOM 0 HB3 HIS A 26 22.152 4.896 -25.848 1.00 63.10 H new ATOM 0 HD2 HIS A 26 20.546 7.079 -26.288 1.00 43.45 H new ATOM 0 HE1 HIS A 26 21.528 9.229 -22.765 1.00 44.12 H new ATOM 0 HE2 HIS A 26 20.020 9.164 -24.816 1.00 12.31 H new ATOM 408 N THR A 27 22.077 2.314 -24.293 1.00 21.51 N ATOM 409 CA THR A 27 21.066 1.267 -24.214 1.00 21.21 C ATOM 410 C THR A 27 21.225 0.443 -22.941 1.00 3.50 C ATOM 411 O THR A 27 20.245 -0.048 -22.383 1.00 72.20 O ATOM 412 CB THR A 27 21.135 0.326 -25.432 1.00 13.40 C ATOM 413 OG1 THR A 27 20.115 -0.674 -25.336 1.00 60.42 O ATOM 414 CG2 THR A 27 22.499 -0.340 -25.525 1.00 41.21 C ATOM 0 H THR A 27 22.930 2.041 -24.782 1.00 21.51 H new ATOM 0 HA THR A 27 20.096 1.765 -24.203 1.00 21.21 H new ATOM 0 HB THR A 27 20.977 0.920 -26.332 1.00 13.40 H new ATOM 0 HG1 THR A 27 20.164 -1.267 -26.114 1.00 60.42 H new ATOM 0 HG21 THR A 27 22.524 -0.999 -26.393 1.00 41.21 H new ATOM 0 HG22 THR A 27 23.270 0.423 -25.628 1.00 41.21 H new ATOM 0 HG23 THR A 27 22.682 -0.922 -24.622 1.00 41.21 H new ATOM 422 N GLN A 28 22.466 0.298 -22.487 1.00 41.21 N ATOM 423 CA GLN A 28 22.752 -0.466 -21.279 1.00 23.31 C ATOM 424 C GLN A 28 22.586 0.400 -20.035 1.00 32.45 C ATOM 425 O GLN A 28 22.235 -0.096 -18.964 1.00 44.00 O ATOM 426 CB GLN A 28 24.172 -1.034 -21.333 1.00 53.15 C ATOM 427 CG GLN A 28 25.252 0.002 -21.068 1.00 51.33 C ATOM 428 CD GLN A 28 25.545 0.175 -19.591 1.00 14.31 C ATOM 429 OE1 GLN A 28 25.446 -0.773 -18.812 1.00 4.04 O ATOM 430 NE2 GLN A 28 25.907 1.391 -19.197 1.00 73.33 N ATOM 0 H GLN A 28 23.289 0.699 -22.937 1.00 41.21 H new ATOM 0 HA GLN A 28 22.040 -1.290 -21.224 1.00 23.31 H new ATOM 0 HB2 GLN A 28 24.262 -1.836 -20.600 1.00 53.15 H new ATOM 0 HB3 GLN A 28 24.340 -1.479 -22.314 1.00 53.15 H new ATOM 0 HG2 GLN A 28 26.166 -0.292 -21.584 1.00 51.33 H new ATOM 0 HG3 GLN A 28 24.943 0.959 -21.488 1.00 51.33 H new ATOM 0 HE21 GLN A 28 25.976 2.148 -19.877 1.00 73.33 H new ATOM 0 HE22 GLN A 28 26.116 1.568 -18.214 1.00 73.33 H new ATOM 439 N ALA A 29 22.840 1.696 -20.183 1.00 72.42 N ATOM 440 CA ALA A 29 22.716 2.631 -19.072 1.00 24.32 C ATOM 441 C ALA A 29 21.358 2.499 -18.392 1.00 54.33 C ATOM 442 O ALA A 29 21.276 2.190 -17.204 1.00 54.01 O ATOM 443 CB ALA A 29 22.931 4.057 -19.556 1.00 11.11 C ATOM 0 H ALA A 29 23.133 2.122 -21.062 1.00 72.42 H new ATOM 0 HA ALA A 29 23.485 2.389 -18.338 1.00 24.32 H new ATOM 0 HB1 ALA A 29 22.835 4.745 -18.716 1.00 11.11 H new ATOM 0 HB2 ALA A 29 23.928 4.148 -19.988 1.00 11.11 H new ATOM 0 HB3 ALA A 29 22.184 4.301 -20.311 1.00 11.11 H new ATOM 449 N GLU A 30 20.294 2.737 -19.154 1.00 45.21 N ATOM 450 CA GLU A 30 18.939 2.647 -18.623 1.00 64.42 C ATOM 451 C GLU A 30 18.718 1.309 -17.923 1.00 74.23 C ATOM 452 O GLU A 30 18.048 1.238 -16.894 1.00 11.02 O ATOM 453 CB GLU A 30 17.915 2.823 -19.746 1.00 40.21 C ATOM 454 CG GLU A 30 16.663 3.568 -19.316 1.00 35.03 C ATOM 455 CD GLU A 30 15.421 3.092 -20.045 1.00 43.23 C ATOM 456 OE1 GLU A 30 15.566 2.341 -21.033 1.00 14.13 O ATOM 457 OE2 GLU A 30 14.306 3.471 -19.630 1.00 23.23 O ATOM 0 H GLU A 30 20.345 2.993 -20.140 1.00 45.21 H new ATOM 0 HA GLU A 30 18.808 3.446 -17.893 1.00 64.42 H new ATOM 0 HB2 GLU A 30 18.382 3.360 -20.571 1.00 40.21 H new ATOM 0 HB3 GLU A 30 17.631 1.841 -20.125 1.00 40.21 H new ATOM 0 HG2 GLU A 30 16.520 3.442 -18.243 1.00 35.03 H new ATOM 0 HG3 GLU A 30 16.799 4.634 -19.496 1.00 35.03 H new ATOM 464 N GLY A 31 19.285 0.249 -18.491 1.00 62.03 N ATOM 465 CA GLY A 31 19.138 -1.072 -17.910 1.00 32.44 C ATOM 466 C GLY A 31 19.616 -1.130 -16.472 1.00 43.24 C ATOM 467 O GLY A 31 19.185 -1.986 -15.700 1.00 62.31 O ATOM 0 H GLY A 31 19.844 0.282 -19.344 1.00 62.03 H new ATOM 0 HA2 GLY A 31 18.090 -1.370 -17.954 1.00 32.44 H new ATOM 0 HA3 GLY A 31 19.699 -1.792 -18.506 1.00 32.44 H new ATOM 471 N LYS A 32 20.512 -0.217 -16.112 1.00 12.12 N ATOM 472 CA LYS A 32 21.051 -0.166 -14.758 1.00 32.21 C ATOM 473 C LYS A 32 20.106 0.583 -13.824 1.00 11.02 C ATOM 474 O LYS A 32 19.789 0.108 -12.733 1.00 12.40 O ATOM 475 CB LYS A 32 22.425 0.508 -14.759 1.00 33.22 C ATOM 476 CG LYS A 32 23.457 -0.216 -15.606 1.00 32.21 C ATOM 477 CD LYS A 32 24.149 -1.318 -14.821 1.00 10.20 C ATOM 478 CE LYS A 32 25.338 -0.782 -14.038 1.00 13.21 C ATOM 479 NZ LYS A 32 24.933 -0.260 -12.703 1.00 71.21 N ATOM 0 H LYS A 32 20.880 0.498 -16.739 1.00 12.12 H new ATOM 0 HA LYS A 32 21.155 -1.189 -14.396 1.00 32.21 H new ATOM 0 HB2 LYS A 32 22.319 1.529 -15.125 1.00 33.22 H new ATOM 0 HB3 LYS A 32 22.789 0.573 -13.734 1.00 33.22 H new ATOM 0 HG2 LYS A 32 22.973 -0.643 -16.485 1.00 32.21 H new ATOM 0 HG3 LYS A 32 24.199 0.497 -15.965 1.00 32.21 H new ATOM 0 HD2 LYS A 32 23.438 -1.779 -14.135 1.00 10.20 H new ATOM 0 HD3 LYS A 32 24.484 -2.098 -15.505 1.00 10.20 H new ATOM 0 HE2 LYS A 32 26.075 -1.574 -13.910 1.00 13.21 H new ATOM 0 HE3 LYS A 32 25.820 0.013 -14.608 1.00 13.21 H new ATOM 0 HZ1 LYS A 32 25.724 -0.364 -12.035 1.00 71.21 H new ATOM 0 HZ2 LYS A 32 24.679 0.745 -12.786 1.00 71.21 H new ATOM 0 HZ3 LYS A 32 24.113 -0.796 -12.355 1.00 71.21 H new ATOM 493 N LYS A 33 19.658 1.756 -14.259 1.00 72.31 N ATOM 494 CA LYS A 33 18.747 2.570 -13.464 1.00 14.12 C ATOM 495 C LYS A 33 17.436 1.832 -13.212 1.00 54.04 C ATOM 496 O LYS A 33 17.060 1.585 -12.065 1.00 44.14 O ATOM 497 CB LYS A 33 18.469 3.899 -14.170 1.00 73.13 C ATOM 498 CG LYS A 33 19.697 4.781 -14.311 1.00 52.40 C ATOM 499 CD LYS A 33 19.951 5.589 -13.049 1.00 71.21 C ATOM 500 CE LYS A 33 19.083 6.837 -13.001 1.00 75.45 C ATOM 501 NZ LYS A 33 19.493 7.837 -14.025 1.00 53.22 N ATOM 0 H LYS A 33 19.912 2.164 -15.159 1.00 72.31 H new ATOM 0 HA LYS A 33 19.222 2.768 -12.503 1.00 14.12 H new ATOM 0 HB2 LYS A 33 18.062 3.696 -15.161 1.00 73.13 H new ATOM 0 HB3 LYS A 33 17.704 4.442 -13.616 1.00 73.13 H new ATOM 0 HG2 LYS A 33 20.567 4.162 -14.529 1.00 52.40 H new ATOM 0 HG3 LYS A 33 19.566 5.456 -15.156 1.00 52.40 H new ATOM 0 HD2 LYS A 33 19.750 4.971 -12.174 1.00 71.21 H new ATOM 0 HD3 LYS A 33 21.002 5.874 -13.004 1.00 71.21 H new ATOM 0 HE2 LYS A 33 18.041 6.561 -13.160 1.00 75.45 H new ATOM 0 HE3 LYS A 33 19.146 7.286 -12.010 1.00 75.45 H new ATOM 0 HZ1 LYS A 33 19.118 8.772 -13.767 1.00 53.22 H new ATOM 0 HZ2 LYS A 33 20.531 7.881 -14.071 1.00 53.22 H new ATOM 0 HZ3 LYS A 33 19.117 7.557 -14.953 1.00 53.22 H new ATOM 515 N LEU A 34 16.744 1.481 -14.291 1.00 34.04 N ATOM 516 CA LEU A 34 15.475 0.769 -14.187 1.00 15.01 C ATOM 517 C LEU A 34 15.640 -0.528 -13.401 1.00 2.41 C ATOM 518 O LEU A 34 14.749 -0.932 -12.655 1.00 41.22 O ATOM 519 CB LEU A 34 14.921 0.467 -15.581 1.00 24.24 C ATOM 520 CG LEU A 34 14.391 1.666 -16.367 1.00 44.31 C ATOM 521 CD1 LEU A 34 13.853 1.223 -17.719 1.00 24.13 C ATOM 522 CD2 LEU A 34 13.314 2.390 -15.573 1.00 53.44 C ATOM 0 H LEU A 34 17.040 1.678 -15.247 1.00 34.04 H new ATOM 0 HA LEU A 34 14.771 1.408 -13.653 1.00 15.01 H new ATOM 0 HB2 LEU A 34 15.708 -0.007 -16.168 1.00 24.24 H new ATOM 0 HB3 LEU A 34 14.116 -0.261 -15.480 1.00 24.24 H new ATOM 0 HG LEU A 34 15.216 2.358 -16.537 1.00 44.31 H new ATOM 0 HD11 LEU A 34 13.480 2.090 -18.264 1.00 24.13 H new ATOM 0 HD12 LEU A 34 14.651 0.750 -18.291 1.00 24.13 H new ATOM 0 HD13 LEU A 34 13.041 0.510 -17.572 1.00 24.13 H new ATOM 0 HD21 LEU A 34 12.948 3.241 -16.148 1.00 53.44 H new ATOM 0 HD22 LEU A 34 12.489 1.707 -15.372 1.00 53.44 H new ATOM 0 HD23 LEU A 34 13.732 2.742 -14.630 1.00 53.44 H new ATOM 534 N GLY A 35 16.789 -1.175 -13.572 1.00 1.10 N ATOM 535 CA GLY A 35 17.052 -2.418 -12.871 1.00 12.14 C ATOM 536 C GLY A 35 16.911 -3.631 -13.768 1.00 74.23 C ATOM 537 O GLY A 35 16.801 -4.760 -13.287 1.00 4.31 O ATOM 0 H GLY A 35 17.542 -0.860 -14.184 1.00 1.10 H new ATOM 0 HA2 GLY A 35 18.060 -2.392 -12.457 1.00 12.14 H new ATOM 0 HA3 GLY A 35 16.364 -2.510 -12.030 1.00 12.14 H new ATOM 541 N LEU A 36 16.911 -3.400 -15.076 1.00 60.35 N ATOM 542 CA LEU A 36 16.780 -4.484 -16.045 1.00 3.34 C ATOM 543 C LEU A 36 18.142 -5.086 -16.375 1.00 22.11 C ATOM 544 O LEU A 36 19.178 -4.579 -15.944 1.00 20.21 O ATOM 545 CB LEU A 36 16.112 -3.974 -17.323 1.00 32.24 C ATOM 546 CG LEU A 36 14.900 -3.062 -17.128 1.00 73.54 C ATOM 547 CD1 LEU A 36 14.265 -2.726 -18.469 1.00 11.33 C ATOM 548 CD2 LEU A 36 13.883 -3.717 -16.204 1.00 40.51 C ATOM 0 H LEU A 36 17.000 -2.472 -15.491 1.00 60.35 H new ATOM 0 HA LEU A 36 16.157 -5.261 -15.602 1.00 3.34 H new ATOM 0 HB2 LEU A 36 16.857 -3.435 -17.908 1.00 32.24 H new ATOM 0 HB3 LEU A 36 15.802 -4.835 -17.916 1.00 32.24 H new ATOM 0 HG LEU A 36 15.237 -2.134 -16.665 1.00 73.54 H new ATOM 0 HD11 LEU A 36 13.404 -2.076 -18.311 1.00 11.33 H new ATOM 0 HD12 LEU A 36 14.994 -2.216 -19.099 1.00 11.33 H new ATOM 0 HD13 LEU A 36 13.942 -3.644 -18.959 1.00 11.33 H new ATOM 0 HD21 LEU A 36 13.027 -3.054 -16.076 1.00 40.51 H new ATOM 0 HD22 LEU A 36 13.550 -4.659 -16.639 1.00 40.51 H new ATOM 0 HD23 LEU A 36 14.342 -3.907 -15.234 1.00 40.51 H new ATOM 560 N VAL A 37 18.133 -6.170 -17.144 1.00 43.14 N ATOM 561 CA VAL A 37 19.368 -6.840 -17.536 1.00 12.21 C ATOM 562 C VAL A 37 19.240 -7.462 -18.922 1.00 12.12 C ATOM 563 O VAL A 37 18.245 -7.257 -19.616 1.00 61.32 O ATOM 564 CB VAL A 37 19.755 -7.937 -16.527 1.00 5.34 C ATOM 565 CG1 VAL A 37 19.846 -7.362 -15.121 1.00 50.23 C ATOM 566 CG2 VAL A 37 18.759 -9.085 -16.579 1.00 14.43 C ATOM 0 H VAL A 37 17.284 -6.603 -17.508 1.00 43.14 H new ATOM 0 HA VAL A 37 20.149 -6.080 -17.553 1.00 12.21 H new ATOM 0 HB VAL A 37 20.736 -8.326 -16.799 1.00 5.34 H new ATOM 0 HG11 VAL A 37 20.120 -8.152 -14.422 1.00 50.23 H new ATOM 0 HG12 VAL A 37 20.602 -6.577 -15.097 1.00 50.23 H new ATOM 0 HG13 VAL A 37 18.881 -6.944 -14.836 1.00 50.23 H new ATOM 0 HG21 VAL A 37 19.049 -9.851 -15.859 1.00 14.43 H new ATOM 0 HG22 VAL A 37 17.764 -8.714 -16.334 1.00 14.43 H new ATOM 0 HG23 VAL A 37 18.750 -9.514 -17.581 1.00 14.43 H new ATOM 576 N GLY A 38 20.255 -8.224 -19.319 1.00 14.04 N ATOM 577 CA GLY A 38 20.236 -8.865 -20.620 1.00 61.23 C ATOM 578 C GLY A 38 21.541 -8.690 -21.372 1.00 31.04 C ATOM 579 O GLY A 38 22.596 -9.116 -20.903 1.00 4.00 O ATOM 0 H GLY A 38 21.090 -8.408 -18.762 1.00 14.04 H new ATOM 0 HA2 GLY A 38 20.032 -9.928 -20.495 1.00 61.23 H new ATOM 0 HA3 GLY A 38 19.420 -8.452 -21.213 1.00 61.23 H new ATOM 583 N TRP A 39 21.469 -8.063 -22.540 1.00 71.32 N ATOM 584 CA TRP A 39 22.654 -7.835 -23.359 1.00 2.41 C ATOM 585 C TRP A 39 22.317 -6.984 -24.579 1.00 5.04 C ATOM 586 O TRP A 39 21.177 -6.971 -25.043 1.00 64.11 O ATOM 587 CB TRP A 39 23.258 -9.168 -23.803 1.00 32.14 C ATOM 588 CG TRP A 39 22.358 -9.956 -24.705 1.00 71.44 C ATOM 589 CD1 TRP A 39 22.104 -9.713 -26.025 1.00 72.10 C ATOM 590 CD2 TRP A 39 21.592 -11.114 -24.354 1.00 41.10 C ATOM 591 NE1 TRP A 39 21.226 -10.650 -26.515 1.00 51.21 N ATOM 592 CE2 TRP A 39 20.898 -11.521 -25.510 1.00 53.31 C ATOM 593 CE3 TRP A 39 21.427 -11.848 -23.176 1.00 51.52 C ATOM 594 CZ2 TRP A 39 20.052 -12.627 -25.520 1.00 1.34 C ATOM 595 CZ3 TRP A 39 20.587 -12.945 -23.187 1.00 40.22 C ATOM 596 CH2 TRP A 39 19.909 -13.327 -24.352 1.00 51.54 C ATOM 0 H TRP A 39 20.603 -7.703 -22.941 1.00 71.32 H new ATOM 0 HA TRP A 39 23.384 -7.297 -22.754 1.00 2.41 H new ATOM 0 HB2 TRP A 39 24.200 -8.979 -24.317 1.00 32.14 H new ATOM 0 HB3 TRP A 39 23.490 -9.765 -22.921 1.00 32.14 H new ATOM 0 HD1 TRP A 39 22.530 -8.904 -26.599 1.00 72.10 H new ATOM 0 HE1 TRP A 39 20.875 -10.690 -27.472 1.00 51.21 H new ATOM 0 HE3 TRP A 39 21.947 -11.563 -22.273 1.00 51.52 H new ATOM 0 HZ2 TRP A 39 19.528 -12.922 -26.417 1.00 1.34 H new ATOM 0 HZ3 TRP A 39 20.451 -13.518 -22.282 1.00 40.22 H new ATOM 0 HH2 TRP A 39 19.261 -14.191 -24.328 1.00 51.54 H new ATOM 607 N VAL A 40 23.316 -6.274 -25.094 1.00 23.21 N ATOM 608 CA VAL A 40 23.126 -5.422 -26.261 1.00 53.41 C ATOM 609 C VAL A 40 24.343 -5.465 -27.178 1.00 74.44 C ATOM 610 O VAL A 40 25.462 -5.711 -26.729 1.00 34.21 O ATOM 611 CB VAL A 40 22.858 -3.961 -25.852 1.00 35.13 C ATOM 612 CG1 VAL A 40 24.100 -3.345 -25.226 1.00 72.14 C ATOM 613 CG2 VAL A 40 22.395 -3.148 -27.051 1.00 64.15 C ATOM 0 H VAL A 40 24.265 -6.272 -24.721 1.00 23.21 H new ATOM 0 HA VAL A 40 22.258 -5.808 -26.795 1.00 53.41 H new ATOM 0 HB VAL A 40 22.062 -3.951 -25.107 1.00 35.13 H new ATOM 0 HG11 VAL A 40 23.891 -2.313 -24.944 1.00 72.14 H new ATOM 0 HG12 VAL A 40 24.381 -3.914 -24.340 1.00 72.14 H new ATOM 0 HG13 VAL A 40 24.919 -3.366 -25.945 1.00 72.14 H new ATOM 0 HG21 VAL A 40 22.210 -2.119 -26.743 1.00 64.15 H new ATOM 0 HG22 VAL A 40 23.166 -3.164 -27.821 1.00 64.15 H new ATOM 0 HG23 VAL A 40 21.476 -3.578 -27.449 1.00 64.15 H new ATOM 623 N GLN A 41 24.115 -5.225 -28.466 1.00 25.13 N ATOM 624 CA GLN A 41 25.194 -5.237 -29.447 1.00 23.45 C ATOM 625 C GLN A 41 24.768 -4.539 -30.733 1.00 50.15 C ATOM 626 O GLN A 41 23.600 -4.581 -31.116 1.00 74.22 O ATOM 627 CB GLN A 41 25.620 -6.675 -29.750 1.00 20.15 C ATOM 628 CG GLN A 41 26.558 -6.794 -30.940 1.00 55.23 C ATOM 629 CD GLN A 41 27.361 -8.079 -30.925 1.00 33.43 C ATOM 630 OE1 GLN A 41 27.265 -8.874 -29.989 1.00 11.44 O ATOM 631 NE2 GLN A 41 28.159 -8.292 -31.964 1.00 50.35 N ATOM 0 H GLN A 41 23.194 -5.020 -28.854 1.00 25.13 H new ATOM 0 HA GLN A 41 26.041 -4.696 -29.025 1.00 23.45 H new ATOM 0 HB2 GLN A 41 26.108 -7.093 -28.870 1.00 20.15 H new ATOM 0 HB3 GLN A 41 24.731 -7.277 -29.937 1.00 20.15 H new ATOM 0 HG2 GLN A 41 25.978 -6.744 -31.861 1.00 55.23 H new ATOM 0 HG3 GLN A 41 27.240 -5.944 -30.946 1.00 55.23 H new ATOM 0 HE21 GLN A 41 28.208 -7.607 -32.718 1.00 50.35 H new ATOM 0 HE22 GLN A 41 28.723 -9.141 -32.008 1.00 50.35 H new ATOM 640 N ASN A 42 25.724 -3.896 -31.397 1.00 32.23 N ATOM 641 CA ASN A 42 25.447 -3.187 -32.641 1.00 33.23 C ATOM 642 C ASN A 42 25.946 -3.983 -33.843 1.00 53.10 C ATOM 643 O ASN A 42 27.046 -3.748 -34.344 1.00 73.25 O ATOM 644 CB ASN A 42 26.103 -1.805 -32.622 1.00 20.34 C ATOM 645 CG ASN A 42 25.354 -0.798 -33.473 1.00 4.22 C ATOM 646 OD1 ASN A 42 24.135 -0.666 -33.370 1.00 33.21 O ATOM 647 ND2 ASN A 42 26.084 -0.081 -34.320 1.00 0.03 N ATOM 0 H ASN A 42 26.697 -3.852 -31.094 1.00 32.23 H new ATOM 0 HA ASN A 42 24.367 -3.068 -32.729 1.00 33.23 H new ATOM 0 HB2 ASN A 42 26.152 -1.443 -31.595 1.00 20.34 H new ATOM 0 HB3 ASN A 42 27.129 -1.888 -32.980 1.00 20.34 H new ATOM 0 HD21 ASN A 42 25.636 0.613 -34.919 1.00 0.03 H new ATOM 0 HD22 ASN A 42 27.093 -0.224 -34.372 1.00 0.03 H new ATOM 654 N THR A 43 25.129 -4.926 -34.302 1.00 53.02 N ATOM 655 CA THR A 43 25.486 -5.757 -35.445 1.00 3.12 C ATOM 656 C THR A 43 25.861 -4.902 -36.650 1.00 72.43 C ATOM 657 O THR A 43 25.477 -3.736 -36.740 1.00 30.13 O ATOM 658 CB THR A 43 24.333 -6.700 -35.837 1.00 11.24 C ATOM 659 OG1 THR A 43 23.267 -5.950 -36.430 1.00 11.25 O ATOM 660 CG2 THR A 43 23.814 -7.454 -34.622 1.00 23.33 C ATOM 0 H THR A 43 24.215 -5.133 -33.899 1.00 53.02 H new ATOM 0 HA THR A 43 26.347 -6.354 -35.145 1.00 3.12 H new ATOM 0 HB THR A 43 24.714 -7.423 -36.559 1.00 11.24 H new ATOM 0 HG1 THR A 43 22.816 -5.420 -35.740 1.00 11.25 H new ATOM 0 HG21 THR A 43 23.000 -8.114 -34.923 1.00 23.33 H new ATOM 0 HG22 THR A 43 24.620 -8.047 -34.190 1.00 23.33 H new ATOM 0 HG23 THR A 43 23.449 -6.743 -33.881 1.00 23.33 H new ATOM 668 N ASP A 44 26.611 -5.490 -37.576 1.00 4.14 N ATOM 669 CA ASP A 44 27.036 -4.782 -38.778 1.00 24.32 C ATOM 670 C ASP A 44 25.912 -4.737 -39.808 1.00 10.43 C ATOM 671 O ASP A 44 25.855 -3.830 -40.639 1.00 34.22 O ATOM 672 CB ASP A 44 28.271 -5.454 -39.381 1.00 73.34 C ATOM 673 CG ASP A 44 29.338 -5.744 -38.344 1.00 53.11 C ATOM 674 OD1 ASP A 44 29.200 -6.749 -37.617 1.00 20.42 O ATOM 675 OD2 ASP A 44 30.310 -4.965 -38.259 1.00 41.40 O ATOM 0 H ASP A 44 26.937 -6.455 -37.517 1.00 4.14 H new ATOM 0 HA ASP A 44 27.289 -3.759 -38.498 1.00 24.32 H new ATOM 0 HB2 ASP A 44 27.975 -6.386 -39.863 1.00 73.34 H new ATOM 0 HB3 ASP A 44 28.688 -4.812 -40.157 1.00 73.34 H new ATOM 680 N ARG A 45 25.021 -5.721 -39.747 1.00 53.41 N ATOM 681 CA ARG A 45 23.899 -5.794 -40.676 1.00 3.11 C ATOM 682 C ARG A 45 23.037 -4.538 -40.587 1.00 33.42 C ATOM 683 O ARG A 45 22.618 -3.987 -41.604 1.00 1.02 O ATOM 684 CB ARG A 45 23.049 -7.032 -40.385 1.00 53.30 C ATOM 685 CG ARG A 45 22.142 -7.432 -41.537 1.00 63.45 C ATOM 686 CD ARG A 45 22.806 -8.464 -42.436 1.00 24.12 C ATOM 687 NE ARG A 45 22.489 -9.830 -42.028 1.00 73.14 N ATOM 688 CZ ARG A 45 22.922 -10.908 -42.671 1.00 63.55 C ATOM 689 NH1 ARG A 45 23.688 -10.780 -43.746 1.00 61.32 N ATOM 690 NH2 ARG A 45 22.590 -12.118 -42.239 1.00 64.34 N ATOM 0 H ARG A 45 25.054 -6.478 -39.065 1.00 53.41 H new ATOM 0 HA ARG A 45 24.300 -5.867 -41.687 1.00 3.11 H new ATOM 0 HB2 ARG A 45 23.708 -7.867 -40.146 1.00 53.30 H new ATOM 0 HB3 ARG A 45 22.439 -6.844 -39.502 1.00 53.30 H new ATOM 0 HG2 ARG A 45 21.209 -7.837 -41.144 1.00 63.45 H new ATOM 0 HG3 ARG A 45 21.885 -6.549 -42.123 1.00 63.45 H new ATOM 0 HD2 ARG A 45 22.483 -8.309 -43.466 1.00 24.12 H new ATOM 0 HD3 ARG A 45 23.886 -8.321 -42.416 1.00 24.12 H new ATOM 0 HE ARG A 45 21.903 -9.963 -41.204 1.00 73.14 H new ATOM 0 HH11 ARG A 45 23.946 -9.852 -44.081 1.00 61.32 H new ATOM 0 HH12 ARG A 45 24.019 -11.610 -44.238 1.00 61.32 H new ATOM 0 HH21 ARG A 45 22.002 -12.221 -41.412 1.00 64.34 H new ATOM 0 HH22 ARG A 45 22.923 -12.945 -42.734 1.00 64.34 H new ATOM 704 N GLY A 46 22.774 -4.092 -39.362 1.00 23.31 N ATOM 705 CA GLY A 46 21.963 -2.906 -39.163 1.00 14.04 C ATOM 706 C GLY A 46 20.832 -3.136 -38.180 1.00 13.33 C ATOM 707 O GLY A 46 19.711 -2.671 -38.391 1.00 32.23 O ATOM 0 H GLY A 46 23.108 -4.531 -38.504 1.00 23.31 H new ATOM 0 HA2 GLY A 46 22.594 -2.094 -38.802 1.00 14.04 H new ATOM 0 HA3 GLY A 46 21.550 -2.587 -40.120 1.00 14.04 H new ATOM 711 N THR A 47 21.124 -3.856 -37.101 1.00 71.54 N ATOM 712 CA THR A 47 20.123 -4.150 -36.084 1.00 13.32 C ATOM 713 C THR A 47 20.761 -4.279 -34.706 1.00 22.54 C ATOM 714 O THR A 47 21.882 -4.771 -34.573 1.00 41.14 O ATOM 715 CB THR A 47 19.357 -5.447 -36.406 1.00 51.34 C ATOM 716 OG1 THR A 47 20.276 -6.534 -36.555 1.00 64.43 O ATOM 717 CG2 THR A 47 18.539 -5.290 -37.679 1.00 52.23 C ATOM 0 H THR A 47 22.047 -4.246 -36.909 1.00 71.54 H new ATOM 0 HA THR A 47 19.422 -3.315 -36.081 1.00 13.32 H new ATOM 0 HB THR A 47 18.678 -5.657 -35.580 1.00 51.34 H new ATOM 0 HG1 THR A 47 21.193 -6.202 -36.463 1.00 64.43 H new ATOM 0 HG21 THR A 47 18.007 -6.218 -37.886 1.00 52.23 H new ATOM 0 HG22 THR A 47 17.820 -4.480 -37.552 1.00 52.23 H new ATOM 0 HG23 THR A 47 19.203 -5.059 -38.512 1.00 52.23 H new ATOM 725 N VAL A 48 20.040 -3.836 -33.680 1.00 64.25 N ATOM 726 CA VAL A 48 20.536 -3.905 -32.311 1.00 41.50 C ATOM 727 C VAL A 48 20.028 -5.157 -31.605 1.00 5.53 C ATOM 728 O VAL A 48 18.864 -5.231 -31.214 1.00 11.32 O ATOM 729 CB VAL A 48 20.116 -2.665 -31.500 1.00 2.45 C ATOM 730 CG1 VAL A 48 20.614 -2.771 -30.066 1.00 42.52 C ATOM 731 CG2 VAL A 48 20.634 -1.396 -32.160 1.00 53.21 C ATOM 0 H VAL A 48 19.111 -3.426 -33.772 1.00 64.25 H new ATOM 0 HA VAL A 48 21.624 -3.941 -32.369 1.00 41.50 H new ATOM 0 HB VAL A 48 19.027 -2.618 -31.479 1.00 2.45 H new ATOM 0 HG11 VAL A 48 20.308 -1.886 -29.508 1.00 42.52 H new ATOM 0 HG12 VAL A 48 20.190 -3.660 -29.598 1.00 42.52 H new ATOM 0 HG13 VAL A 48 21.702 -2.844 -30.063 1.00 42.52 H new ATOM 0 HG21 VAL A 48 20.328 -0.530 -31.573 1.00 53.21 H new ATOM 0 HG22 VAL A 48 21.722 -1.432 -32.214 1.00 53.21 H new ATOM 0 HG23 VAL A 48 20.224 -1.316 -33.167 1.00 53.21 H new ATOM 741 N GLN A 49 20.911 -6.138 -31.444 1.00 54.34 N ATOM 742 CA GLN A 49 20.551 -7.387 -30.785 1.00 30.42 C ATOM 743 C GLN A 49 20.549 -7.222 -29.269 1.00 12.43 C ATOM 744 O GLN A 49 21.585 -6.953 -28.662 1.00 53.20 O ATOM 745 CB GLN A 49 21.522 -8.499 -31.187 1.00 2.42 C ATOM 746 CG GLN A 49 21.082 -9.276 -32.417 1.00 10.12 C ATOM 747 CD GLN A 49 21.554 -10.716 -32.397 1.00 22.31 C ATOM 748 OE1 GLN A 49 22.633 -11.035 -32.897 1.00 41.05 O ATOM 749 NE2 GLN A 49 20.747 -11.596 -31.817 1.00 33.34 N ATOM 0 H GLN A 49 21.879 -6.091 -31.761 1.00 54.34 H new ATOM 0 HA GLN A 49 19.545 -7.659 -31.104 1.00 30.42 H new ATOM 0 HB2 GLN A 49 22.503 -8.063 -31.375 1.00 2.42 H new ATOM 0 HB3 GLN A 49 21.635 -9.190 -30.352 1.00 2.42 H new ATOM 0 HG2 GLN A 49 19.994 -9.255 -32.485 1.00 10.12 H new ATOM 0 HG3 GLN A 49 21.467 -8.784 -33.310 1.00 10.12 H new ATOM 0 HE21 GLN A 49 19.861 -11.288 -31.415 1.00 33.34 H new ATOM 0 HE22 GLN A 49 21.012 -12.580 -31.773 1.00 33.34 H new ATOM 758 N GLY A 50 19.377 -7.384 -28.662 1.00 53.31 N ATOM 759 CA GLY A 50 19.262 -7.248 -27.222 1.00 13.32 C ATOM 760 C GLY A 50 17.866 -7.559 -26.720 1.00 13.13 C ATOM 761 O GLY A 50 16.893 -7.468 -27.469 1.00 42.21 O ATOM 0 H GLY A 50 18.505 -7.607 -29.142 1.00 53.31 H new ATOM 0 HA2 GLY A 50 19.976 -7.916 -26.739 1.00 13.32 H new ATOM 0 HA3 GLY A 50 19.531 -6.232 -26.934 1.00 13.32 H new ATOM 765 N LYS A 51 17.765 -7.929 -25.448 1.00 22.24 N ATOM 766 CA LYS A 51 16.478 -8.256 -24.845 1.00 4.13 C ATOM 767 C LYS A 51 16.173 -7.324 -23.676 1.00 71.51 C ATOM 768 O LYS A 51 16.915 -6.377 -23.413 1.00 64.52 O ATOM 769 CB LYS A 51 16.470 -9.710 -24.367 1.00 41.15 C ATOM 770 CG LYS A 51 17.119 -9.908 -23.009 1.00 1.25 C ATOM 771 CD LYS A 51 17.343 -11.380 -22.706 1.00 75.13 C ATOM 772 CE LYS A 51 16.040 -12.164 -22.761 1.00 64.24 C ATOM 773 NZ LYS A 51 14.978 -11.534 -21.930 1.00 54.35 N ATOM 0 H LYS A 51 18.560 -8.010 -24.814 1.00 22.24 H new ATOM 0 HA LYS A 51 15.706 -8.125 -25.603 1.00 4.13 H new ATOM 0 HB2 LYS A 51 15.440 -10.063 -24.323 1.00 41.15 H new ATOM 0 HB3 LYS A 51 16.988 -10.328 -25.101 1.00 41.15 H new ATOM 0 HG2 LYS A 51 18.073 -9.381 -22.980 1.00 1.25 H new ATOM 0 HG3 LYS A 51 16.488 -9.469 -22.236 1.00 1.25 H new ATOM 0 HD2 LYS A 51 18.050 -11.797 -23.423 1.00 75.13 H new ATOM 0 HD3 LYS A 51 17.791 -11.485 -21.718 1.00 75.13 H new ATOM 0 HE2 LYS A 51 15.700 -12.231 -23.794 1.00 64.24 H new ATOM 0 HE3 LYS A 51 16.215 -13.183 -22.416 1.00 64.24 H new ATOM 0 HZ1 LYS A 51 14.180 -12.193 -21.828 1.00 54.35 H new ATOM 0 HZ2 LYS A 51 15.362 -11.307 -20.990 1.00 54.35 H new ATOM 0 HZ3 LYS A 51 14.649 -10.661 -22.390 1.00 54.35 H new ATOM 787 N LEU A 52 15.077 -7.600 -22.977 1.00 43.41 N ATOM 788 CA LEU A 52 14.674 -6.787 -21.835 1.00 4.24 C ATOM 789 C LEU A 52 14.297 -7.666 -20.647 1.00 20.22 C ATOM 790 O LEU A 52 13.118 -7.828 -20.333 1.00 2.13 O ATOM 791 CB LEU A 52 13.496 -5.888 -22.213 1.00 71.23 C ATOM 792 CG LEU A 52 13.525 -5.303 -23.626 1.00 11.45 C ATOM 793 CD1 LEU A 52 12.281 -4.467 -23.882 1.00 52.44 C ATOM 794 CD2 LEU A 52 14.782 -4.470 -23.832 1.00 15.53 C ATOM 0 H LEU A 52 14.452 -8.380 -23.181 1.00 43.41 H new ATOM 0 HA LEU A 52 15.521 -6.163 -21.548 1.00 4.24 H new ATOM 0 HB2 LEU A 52 12.576 -6.461 -22.097 1.00 71.23 H new ATOM 0 HB3 LEU A 52 13.450 -5.064 -21.501 1.00 71.23 H new ATOM 0 HG LEU A 52 13.538 -6.126 -24.340 1.00 11.45 H new ATOM 0 HD11 LEU A 52 12.319 -4.059 -24.892 1.00 52.44 H new ATOM 0 HD12 LEU A 52 11.394 -5.092 -23.776 1.00 52.44 H new ATOM 0 HD13 LEU A 52 12.237 -3.650 -23.162 1.00 52.44 H new ATOM 0 HD21 LEU A 52 14.786 -4.062 -24.843 1.00 15.53 H new ATOM 0 HD22 LEU A 52 14.800 -3.653 -23.110 1.00 15.53 H new ATOM 0 HD23 LEU A 52 15.662 -5.098 -23.691 1.00 15.53 H new ATOM 806 N GLN A 53 15.306 -8.230 -19.990 1.00 51.31 N ATOM 807 CA GLN A 53 15.079 -9.091 -18.836 1.00 20.22 C ATOM 808 C GLN A 53 14.856 -8.264 -17.574 1.00 51.44 C ATOM 809 O GLN A 53 15.724 -7.495 -17.162 1.00 72.23 O ATOM 810 CB GLN A 53 16.266 -10.036 -18.637 1.00 14.10 C ATOM 811 CG GLN A 53 16.177 -10.864 -17.365 1.00 64.02 C ATOM 812 CD GLN A 53 17.114 -12.056 -17.379 1.00 2.22 C ATOM 813 OE1 GLN A 53 18.236 -11.984 -16.875 1.00 73.33 O ATOM 814 NE2 GLN A 53 16.658 -13.161 -17.957 1.00 22.14 N ATOM 0 H GLN A 53 16.288 -8.106 -20.237 1.00 51.31 H new ATOM 0 HA GLN A 53 14.182 -9.680 -19.025 1.00 20.22 H new ATOM 0 HB2 GLN A 53 16.333 -10.707 -19.493 1.00 14.10 H new ATOM 0 HB3 GLN A 53 17.186 -9.452 -18.617 1.00 14.10 H new ATOM 0 HG2 GLN A 53 16.411 -10.233 -16.508 1.00 64.02 H new ATOM 0 HG3 GLN A 53 15.153 -11.213 -17.234 1.00 64.02 H new ATOM 0 HE21 GLN A 53 15.722 -13.176 -18.362 1.00 22.14 H new ATOM 0 HE22 GLN A 53 17.244 -13.995 -17.996 1.00 22.14 H new ATOM 823 N GLY A 54 13.685 -8.426 -16.965 1.00 41.12 N ATOM 824 CA GLY A 54 13.369 -7.687 -15.757 1.00 52.20 C ATOM 825 C GLY A 54 11.876 -7.535 -15.544 1.00 74.33 C ATOM 826 O GLY A 54 11.063 -8.161 -16.225 1.00 62.25 O ATOM 0 H GLY A 54 12.950 -9.056 -17.287 1.00 41.12 H new ATOM 0 HA2 GLY A 54 13.805 -8.197 -14.898 1.00 52.20 H new ATOM 0 HA3 GLY A 54 13.828 -6.700 -15.808 1.00 52.20 H new ATOM 830 N PRO A 55 11.495 -6.688 -14.577 1.00 52.51 N ATOM 831 CA PRO A 55 10.087 -6.437 -14.253 1.00 42.12 C ATOM 832 C PRO A 55 9.369 -5.661 -15.352 1.00 11.23 C ATOM 833 O PRO A 55 9.889 -4.670 -15.866 1.00 70.44 O ATOM 834 CB PRO A 55 10.161 -5.604 -12.971 1.00 22.21 C ATOM 835 CG PRO A 55 11.494 -4.941 -13.026 1.00 60.03 C ATOM 836 CD PRO A 55 12.409 -5.908 -13.726 1.00 11.13 C ATOM 0 HA PRO A 55 9.522 -7.363 -14.144 1.00 42.12 H new ATOM 0 HB2 PRO A 55 9.356 -4.871 -12.928 1.00 22.21 H new ATOM 0 HB3 PRO A 55 10.067 -6.232 -12.085 1.00 22.21 H new ATOM 0 HG2 PRO A 55 11.438 -3.996 -13.566 1.00 60.03 H new ATOM 0 HG3 PRO A 55 11.859 -4.714 -12.024 1.00 60.03 H new ATOM 0 HD2 PRO A 55 13.165 -5.390 -14.317 1.00 11.13 H new ATOM 0 HD3 PRO A 55 12.939 -6.544 -13.017 1.00 11.13 H new ATOM 844 N ILE A 56 8.172 -6.116 -15.706 1.00 31.43 N ATOM 845 CA ILE A 56 7.382 -5.463 -16.742 1.00 63.01 C ATOM 846 C ILE A 56 7.133 -3.998 -16.402 1.00 3.42 C ATOM 847 O ILE A 56 7.018 -3.154 -17.291 1.00 20.12 O ATOM 848 CB ILE A 56 6.028 -6.168 -16.947 1.00 25.01 C ATOM 849 CG1 ILE A 56 6.244 -7.640 -17.306 1.00 2.32 C ATOM 850 CG2 ILE A 56 5.224 -5.465 -18.030 1.00 71.42 C ATOM 851 CD1 ILE A 56 5.002 -8.489 -17.148 1.00 2.42 C ATOM 0 H ILE A 56 7.728 -6.935 -15.290 1.00 31.43 H new ATOM 0 HA ILE A 56 7.959 -5.527 -17.665 1.00 63.01 H new ATOM 0 HB ILE A 56 5.465 -6.120 -16.015 1.00 25.01 H new ATOM 0 HG12 ILE A 56 6.591 -7.707 -18.337 1.00 2.32 H new ATOM 0 HG13 ILE A 56 7.035 -8.047 -16.676 1.00 2.32 H new ATOM 0 HG21 ILE A 56 4.270 -5.975 -18.163 1.00 71.42 H new ATOM 0 HG22 ILE A 56 5.045 -4.431 -17.737 1.00 71.42 H new ATOM 0 HG23 ILE A 56 5.780 -5.485 -18.967 1.00 71.42 H new ATOM 0 HD11 ILE A 56 5.229 -9.520 -17.420 1.00 2.42 H new ATOM 0 HD12 ILE A 56 4.666 -8.452 -16.112 1.00 2.42 H new ATOM 0 HD13 ILE A 56 4.215 -8.107 -17.799 1.00 2.42 H new ATOM 863 N SER A 57 7.053 -3.701 -15.108 1.00 61.54 N ATOM 864 CA SER A 57 6.816 -2.338 -14.650 1.00 11.23 C ATOM 865 C SER A 57 7.814 -1.371 -15.280 1.00 21.30 C ATOM 866 O SER A 57 7.436 -0.322 -15.802 1.00 23.03 O ATOM 867 CB SER A 57 6.913 -2.266 -13.125 1.00 34.14 C ATOM 868 OG SER A 57 6.073 -3.231 -12.514 1.00 54.54 O ATOM 0 H SER A 57 7.149 -4.387 -14.359 1.00 61.54 H new ATOM 0 HA SER A 57 5.811 -2.048 -14.958 1.00 11.23 H new ATOM 0 HB2 SER A 57 7.945 -2.429 -12.815 1.00 34.14 H new ATOM 0 HB3 SER A 57 6.633 -1.269 -12.786 1.00 34.14 H new ATOM 0 HG SER A 57 6.154 -3.166 -11.540 1.00 54.54 H new ATOM 874 N LYS A 58 9.092 -1.733 -15.228 1.00 14.23 N ATOM 875 CA LYS A 58 10.147 -0.900 -15.794 1.00 34.54 C ATOM 876 C LYS A 58 10.285 -1.142 -17.293 1.00 71.23 C ATOM 877 O LYS A 58 10.455 -0.203 -18.071 1.00 3.25 O ATOM 878 CB LYS A 58 11.478 -1.185 -15.095 1.00 45.35 C ATOM 879 CG LYS A 58 11.747 -0.280 -13.905 1.00 54.03 C ATOM 880 CD LYS A 58 11.000 -0.750 -12.668 1.00 54.23 C ATOM 881 CE LYS A 58 11.650 -0.233 -11.394 1.00 65.23 C ATOM 882 NZ LYS A 58 12.630 -1.207 -10.838 1.00 3.21 N ATOM 0 H LYS A 58 9.422 -2.598 -14.800 1.00 14.23 H new ATOM 0 HA LYS A 58 9.877 0.144 -15.636 1.00 34.54 H new ATOM 0 HB2 LYS A 58 11.488 -2.223 -14.761 1.00 45.35 H new ATOM 0 HB3 LYS A 58 12.288 -1.074 -15.816 1.00 45.35 H new ATOM 0 HG2 LYS A 58 12.817 -0.257 -13.698 1.00 54.03 H new ATOM 0 HG3 LYS A 58 11.447 0.740 -14.147 1.00 54.03 H new ATOM 0 HD2 LYS A 58 9.966 -0.408 -12.715 1.00 54.23 H new ATOM 0 HD3 LYS A 58 10.975 -1.840 -12.649 1.00 54.23 H new ATOM 0 HE2 LYS A 58 12.154 0.711 -11.600 1.00 65.23 H new ATOM 0 HE3 LYS A 58 10.880 -0.028 -10.650 1.00 65.23 H new ATOM 0 HZ1 LYS A 58 12.886 -0.927 -9.870 1.00 3.21 H new ATOM 0 HZ2 LYS A 58 12.206 -2.156 -10.823 1.00 3.21 H new ATOM 0 HZ3 LYS A 58 13.483 -1.218 -11.432 1.00 3.21 H new ATOM 896 N VAL A 59 10.209 -2.407 -17.694 1.00 31.53 N ATOM 897 CA VAL A 59 10.323 -2.772 -19.101 1.00 31.22 C ATOM 898 C VAL A 59 9.368 -1.952 -19.960 1.00 75.03 C ATOM 899 O VAL A 59 9.645 -1.681 -21.129 1.00 11.34 O ATOM 900 CB VAL A 59 10.034 -4.270 -19.318 1.00 4.54 C ATOM 901 CG1 VAL A 59 10.115 -4.621 -20.795 1.00 45.44 C ATOM 902 CG2 VAL A 59 10.999 -5.121 -18.505 1.00 54.43 C ATOM 0 H VAL A 59 10.069 -3.197 -17.064 1.00 31.53 H new ATOM 0 HA VAL A 59 11.349 -2.561 -19.401 1.00 31.22 H new ATOM 0 HB VAL A 59 9.021 -4.481 -18.975 1.00 4.54 H new ATOM 0 HG11 VAL A 59 9.908 -5.683 -20.929 1.00 45.44 H new ATOM 0 HG12 VAL A 59 9.381 -4.036 -21.349 1.00 45.44 H new ATOM 0 HG13 VAL A 59 11.114 -4.396 -21.168 1.00 45.44 H new ATOM 0 HG21 VAL A 59 10.781 -6.176 -18.670 1.00 54.43 H new ATOM 0 HG22 VAL A 59 12.022 -4.909 -18.816 1.00 54.43 H new ATOM 0 HG23 VAL A 59 10.886 -4.888 -17.446 1.00 54.43 H new ATOM 912 N ARG A 60 8.241 -1.559 -19.374 1.00 25.43 N ATOM 913 CA ARG A 60 7.244 -0.770 -20.086 1.00 71.21 C ATOM 914 C ARG A 60 7.881 0.457 -20.732 1.00 61.51 C ATOM 915 O ARG A 60 7.495 0.864 -21.827 1.00 61.53 O ATOM 916 CB ARG A 60 6.129 -0.337 -19.132 1.00 44.51 C ATOM 917 CG ARG A 60 5.173 -1.459 -18.762 1.00 42.43 C ATOM 918 CD ARG A 60 3.727 -1.066 -19.021 1.00 20.03 C ATOM 919 NE ARG A 60 2.808 -1.718 -18.091 1.00 5.41 N ATOM 920 CZ ARG A 60 1.582 -1.275 -17.838 1.00 52.03 C ATOM 921 NH1 ARG A 60 1.129 -0.186 -18.443 1.00 52.43 N ATOM 922 NH2 ARG A 60 0.805 -1.923 -16.979 1.00 42.32 N ATOM 0 H ARG A 60 7.996 -1.775 -18.408 1.00 25.43 H new ATOM 0 HA ARG A 60 6.818 -1.393 -20.873 1.00 71.21 H new ATOM 0 HB2 ARG A 60 6.576 0.063 -18.222 1.00 44.51 H new ATOM 0 HB3 ARG A 60 5.564 0.474 -19.592 1.00 44.51 H new ATOM 0 HG2 ARG A 60 5.417 -2.352 -19.338 1.00 42.43 H new ATOM 0 HG3 ARG A 60 5.299 -1.714 -17.710 1.00 42.43 H new ATOM 0 HD2 ARG A 60 3.624 0.016 -18.934 1.00 20.03 H new ATOM 0 HD3 ARG A 60 3.457 -1.331 -20.043 1.00 20.03 H new ATOM 0 HE ARG A 60 3.125 -2.559 -17.610 1.00 5.41 H new ATOM 0 HH11 ARG A 60 1.723 0.314 -19.105 1.00 52.43 H new ATOM 0 HH12 ARG A 60 0.187 0.152 -18.247 1.00 52.43 H new ATOM 0 HH21 ARG A 60 1.149 -2.762 -16.512 1.00 42.32 H new ATOM 0 HH22 ARG A 60 -0.137 -1.582 -16.785 1.00 42.32 H new ATOM 936 N GLU A 61 8.858 1.041 -20.045 1.00 61.53 N ATOM 937 CA GLU A 61 9.547 2.221 -20.552 1.00 42.43 C ATOM 938 C GLU A 61 10.695 1.826 -21.477 1.00 40.40 C ATOM 939 O GLU A 61 11.139 2.620 -22.306 1.00 61.01 O ATOM 940 CB GLU A 61 10.079 3.066 -19.393 1.00 24.23 C ATOM 941 CG GLU A 61 9.071 3.267 -18.274 1.00 4.52 C ATOM 942 CD GLU A 61 7.881 4.102 -18.704 1.00 72.15 C ATOM 943 OE1 GLU A 61 7.993 5.346 -18.690 1.00 72.24 O ATOM 944 OE2 GLU A 61 6.838 3.512 -19.055 1.00 72.12 O ATOM 0 H GLU A 61 9.190 0.716 -19.137 1.00 61.53 H new ATOM 0 HA GLU A 61 8.830 2.811 -21.123 1.00 42.43 H new ATOM 0 HB2 GLU A 61 10.971 2.589 -18.986 1.00 24.23 H new ATOM 0 HB3 GLU A 61 10.384 4.040 -19.775 1.00 24.23 H new ATOM 0 HG2 GLU A 61 8.721 2.295 -17.926 1.00 4.52 H new ATOM 0 HG3 GLU A 61 9.563 3.750 -17.429 1.00 4.52 H new ATOM 951 N MET A 62 11.171 0.594 -21.327 1.00 54.52 N ATOM 952 CA MET A 62 12.266 0.093 -22.149 1.00 3.51 C ATOM 953 C MET A 62 11.777 -0.264 -23.549 1.00 13.23 C ATOM 954 O MET A 62 12.537 -0.207 -24.515 1.00 22.15 O ATOM 955 CB MET A 62 12.906 -1.131 -21.492 1.00 4.11 C ATOM 956 CG MET A 62 14.047 -1.727 -22.300 1.00 23.40 C ATOM 957 SD MET A 62 15.498 -0.658 -22.347 1.00 42.14 S ATOM 958 CE MET A 62 15.870 -0.513 -20.601 1.00 75.41 C ATOM 0 H MET A 62 10.816 -0.075 -20.644 1.00 54.52 H new ATOM 0 HA MET A 62 13.013 0.882 -22.235 1.00 3.51 H new ATOM 0 HB2 MET A 62 13.277 -0.852 -20.506 1.00 4.11 H new ATOM 0 HB3 MET A 62 12.142 -1.893 -21.341 1.00 4.11 H new ATOM 0 HG2 MET A 62 14.324 -2.691 -21.873 1.00 23.40 H new ATOM 0 HG3 MET A 62 13.706 -1.915 -23.318 1.00 23.40 H new ATOM 0 HE1 MET A 62 16.725 0.149 -20.465 1.00 75.41 H new ATOM 0 HE2 MET A 62 15.006 -0.103 -20.078 1.00 75.41 H new ATOM 0 HE3 MET A 62 16.106 -1.497 -20.196 1.00 75.41 H new ATOM 968 N GLN A 63 10.503 -0.632 -23.650 1.00 5.44 N ATOM 969 CA GLN A 63 9.914 -0.999 -24.932 1.00 2.12 C ATOM 970 C GLN A 63 9.930 0.182 -25.896 1.00 41.35 C ATOM 971 O GLN A 63 10.484 0.095 -26.993 1.00 11.23 O ATOM 972 CB GLN A 63 8.480 -1.493 -24.735 1.00 51.30 C ATOM 973 CG GLN A 63 8.325 -2.468 -23.580 1.00 24.44 C ATOM 974 CD GLN A 63 7.463 -3.663 -23.936 1.00 64.42 C ATOM 975 OE1 GLN A 63 7.655 -4.294 -24.976 1.00 44.45 O ATOM 976 NE2 GLN A 63 6.506 -3.982 -23.072 1.00 65.15 N ATOM 0 H GLN A 63 9.860 -0.684 -22.860 1.00 5.44 H new ATOM 0 HA GLN A 63 10.512 -1.803 -25.362 1.00 2.12 H new ATOM 0 HB2 GLN A 63 7.829 -0.635 -24.565 1.00 51.30 H new ATOM 0 HB3 GLN A 63 8.141 -1.973 -25.653 1.00 51.30 H new ATOM 0 HG2 GLN A 63 9.310 -2.815 -23.268 1.00 24.44 H new ATOM 0 HG3 GLN A 63 7.886 -1.949 -22.728 1.00 24.44 H new ATOM 0 HE21 GLN A 63 6.382 -3.432 -22.222 1.00 65.15 H new ATOM 0 HE22 GLN A 63 5.895 -4.777 -23.258 1.00 65.15 H new ATOM 985 N LYS A 64 9.319 1.287 -25.482 1.00 34.41 N ATOM 986 CA LYS A 64 9.262 2.487 -26.308 1.00 25.21 C ATOM 987 C LYS A 64 10.655 3.079 -26.503 1.00 33.31 C ATOM 988 O LYS A 64 10.890 3.840 -27.441 1.00 54.12 O ATOM 989 CB LYS A 64 8.339 3.527 -25.670 1.00 41.20 C ATOM 990 CG LYS A 64 6.871 3.321 -26.000 1.00 51.32 C ATOM 991 CD LYS A 64 5.971 3.860 -24.901 1.00 22.14 C ATOM 992 CE LYS A 64 4.521 3.456 -25.119 1.00 41.21 C ATOM 993 NZ LYS A 64 3.584 4.305 -24.332 1.00 24.01 N ATOM 0 H LYS A 64 8.856 1.376 -24.578 1.00 34.41 H new ATOM 0 HA LYS A 64 8.865 2.208 -27.284 1.00 25.21 H new ATOM 0 HB2 LYS A 64 8.467 3.499 -24.588 1.00 41.20 H new ATOM 0 HB3 LYS A 64 8.641 4.521 -26.001 1.00 41.20 H new ATOM 0 HG2 LYS A 64 6.635 3.818 -26.941 1.00 51.32 H new ATOM 0 HG3 LYS A 64 6.675 2.258 -26.143 1.00 51.32 H new ATOM 0 HD2 LYS A 64 6.312 3.488 -23.935 1.00 22.14 H new ATOM 0 HD3 LYS A 64 6.046 4.947 -24.868 1.00 22.14 H new ATOM 0 HE2 LYS A 64 4.278 3.533 -26.179 1.00 41.21 H new ATOM 0 HE3 LYS A 64 4.389 2.411 -24.837 1.00 41.21 H new ATOM 0 HZ1 LYS A 64 2.606 3.998 -24.508 1.00 24.01 H new ATOM 0 HZ2 LYS A 64 3.799 4.212 -23.319 1.00 24.01 H new ATOM 0 HZ3 LYS A 64 3.692 5.299 -24.619 1.00 24.01 H new ATOM 1007 N TRP A 65 11.573 2.723 -25.612 1.00 45.14 N ATOM 1008 CA TRP A 65 12.943 3.219 -25.688 1.00 62.42 C ATOM 1009 C TRP A 65 13.699 2.556 -26.834 1.00 62.34 C ATOM 1010 O TRP A 65 14.678 3.103 -27.344 1.00 62.40 O ATOM 1011 CB TRP A 65 13.672 2.967 -24.367 1.00 41.32 C ATOM 1012 CG TRP A 65 13.760 4.184 -23.496 1.00 73.13 C ATOM 1013 CD1 TRP A 65 12.725 4.978 -23.091 1.00 60.11 C ATOM 1014 CD2 TRP A 65 14.947 4.746 -22.926 1.00 35.45 C ATOM 1015 NE1 TRP A 65 13.197 5.999 -22.303 1.00 3.44 N ATOM 1016 CE2 TRP A 65 14.557 5.879 -22.185 1.00 73.21 C ATOM 1017 CE3 TRP A 65 16.300 4.401 -22.966 1.00 20.51 C ATOM 1018 CZ2 TRP A 65 15.473 6.667 -21.494 1.00 13.12 C ATOM 1019 CZ3 TRP A 65 17.208 5.184 -22.280 1.00 10.25 C ATOM 1020 CH2 TRP A 65 16.791 6.306 -21.551 1.00 4.22 C ATOM 0 H TRP A 65 11.394 2.094 -24.829 1.00 45.14 H new ATOM 0 HA TRP A 65 12.905 4.292 -25.875 1.00 62.42 H new ATOM 0 HB2 TRP A 65 13.158 2.175 -23.822 1.00 41.32 H new ATOM 0 HB3 TRP A 65 14.679 2.607 -24.579 1.00 41.32 H new ATOM 0 HD1 TRP A 65 11.688 4.825 -23.352 1.00 60.11 H new ATOM 0 HE1 TRP A 65 12.627 6.729 -21.875 1.00 3.44 H new ATOM 0 HE3 TRP A 65 16.630 3.537 -23.524 1.00 20.51 H new ATOM 0 HZ2 TRP A 65 15.154 7.533 -20.933 1.00 13.12 H new ATOM 0 HZ3 TRP A 65 18.257 4.927 -22.306 1.00 10.25 H new ATOM 0 HH2 TRP A 65 17.525 6.897 -21.024 1.00 4.22 H new ATOM 1031 N LEU A 66 13.240 1.376 -27.236 1.00 20.41 N ATOM 1032 CA LEU A 66 13.874 0.638 -28.323 1.00 74.14 C ATOM 1033 C LEU A 66 12.984 0.624 -29.563 1.00 23.04 C ATOM 1034 O LEU A 66 13.305 -0.021 -30.560 1.00 51.45 O ATOM 1035 CB LEU A 66 14.178 -0.795 -27.884 1.00 61.41 C ATOM 1036 CG LEU A 66 15.537 -1.020 -27.220 1.00 43.44 C ATOM 1037 CD1 LEU A 66 15.547 -2.332 -26.453 1.00 35.50 C ATOM 1038 CD2 LEU A 66 16.648 -1.000 -28.260 1.00 42.41 C ATOM 0 H LEU A 66 12.431 0.910 -26.826 1.00 20.41 H new ATOM 0 HA LEU A 66 14.808 1.140 -28.574 1.00 74.14 H new ATOM 0 HB2 LEU A 66 13.400 -1.114 -27.190 1.00 61.41 H new ATOM 0 HB3 LEU A 66 14.111 -1.443 -28.758 1.00 61.41 H new ATOM 0 HG LEU A 66 15.712 -0.209 -26.513 1.00 43.44 H new ATOM 0 HD11 LEU A 66 16.522 -2.474 -25.988 1.00 35.50 H new ATOM 0 HD12 LEU A 66 14.777 -2.308 -25.682 1.00 35.50 H new ATOM 0 HD13 LEU A 66 15.349 -3.156 -27.139 1.00 35.50 H new ATOM 0 HD21 LEU A 66 17.608 -1.162 -27.770 1.00 42.41 H new ATOM 0 HD22 LEU A 66 16.476 -1.790 -28.991 1.00 42.41 H new ATOM 0 HD23 LEU A 66 16.656 -0.034 -28.765 1.00 42.41 H new ATOM 1050 N GLU A 67 11.867 1.341 -29.491 1.00 42.12 N ATOM 1051 CA GLU A 67 10.933 1.412 -30.608 1.00 72.34 C ATOM 1052 C GLU A 67 11.073 2.737 -31.352 1.00 33.02 C ATOM 1053 O GLU A 67 11.390 2.765 -32.541 1.00 64.04 O ATOM 1054 CB GLU A 67 9.496 1.242 -30.112 1.00 14.24 C ATOM 1055 CG GLU A 67 8.512 0.872 -31.209 1.00 11.10 C ATOM 1056 CD GLU A 67 7.674 2.051 -31.663 1.00 52.33 C ATOM 1057 OE1 GLU A 67 6.940 2.616 -30.826 1.00 1.24 O ATOM 1058 OE2 GLU A 67 7.752 2.409 -32.857 1.00 43.13 O ATOM 0 H GLU A 67 11.587 1.880 -28.672 1.00 42.12 H new ATOM 0 HA GLU A 67 11.170 0.602 -31.298 1.00 72.34 H new ATOM 0 HB2 GLU A 67 9.475 0.471 -29.342 1.00 14.24 H new ATOM 0 HB3 GLU A 67 9.171 2.170 -29.642 1.00 14.24 H new ATOM 0 HG2 GLU A 67 9.059 0.470 -32.062 1.00 11.10 H new ATOM 0 HG3 GLU A 67 7.854 0.080 -30.850 1.00 11.10 H new ATOM 1065 N THR A 68 10.833 3.835 -30.642 1.00 55.21 N ATOM 1066 CA THR A 68 10.930 5.164 -31.233 1.00 75.23 C ATOM 1067 C THR A 68 11.733 6.104 -30.343 1.00 44.41 C ATOM 1068 O THR A 68 12.503 6.931 -30.833 1.00 1.13 O ATOM 1069 CB THR A 68 9.536 5.773 -31.478 1.00 60.21 C ATOM 1070 OG1 THR A 68 9.666 7.082 -32.043 1.00 40.21 O ATOM 1071 CG2 THR A 68 8.744 5.851 -30.182 1.00 22.34 C ATOM 0 H THR A 68 10.570 3.830 -29.657 1.00 55.21 H new ATOM 0 HA THR A 68 11.441 5.048 -32.189 1.00 75.23 H new ATOM 0 HB THR A 68 9.000 5.129 -32.175 1.00 60.21 H new ATOM 0 HG1 THR A 68 8.776 7.462 -32.197 1.00 40.21 H new ATOM 0 HG21 THR A 68 7.764 6.284 -30.380 1.00 22.34 H new ATOM 0 HG22 THR A 68 8.622 4.849 -29.770 1.00 22.34 H new ATOM 0 HG23 THR A 68 9.278 6.475 -29.466 1.00 22.34 H new ATOM 1079 N ARG A 69 11.551 5.973 -29.033 1.00 75.43 N ATOM 1080 CA ARG A 69 12.259 6.812 -28.075 1.00 21.14 C ATOM 1081 C ARG A 69 13.699 6.338 -27.897 1.00 53.23 C ATOM 1082 O ARG A 69 14.117 5.990 -26.794 1.00 71.20 O ATOM 1083 CB ARG A 69 11.538 6.802 -26.726 1.00 11.55 C ATOM 1084 CG ARG A 69 11.683 8.101 -25.948 1.00 61.52 C ATOM 1085 CD ARG A 69 10.365 8.854 -25.872 1.00 13.44 C ATOM 1086 NE ARG A 69 10.560 10.271 -25.573 1.00 65.52 N ATOM 1087 CZ ARG A 69 9.644 11.204 -25.805 1.00 22.11 C ATOM 1088 NH1 ARG A 69 8.475 10.873 -26.335 1.00 32.43 N ATOM 1089 NH2 ARG A 69 9.897 12.472 -25.506 1.00 74.11 N ATOM 0 H ARG A 69 10.919 5.293 -28.611 1.00 75.43 H new ATOM 0 HA ARG A 69 12.275 7.830 -28.464 1.00 21.14 H new ATOM 0 HB2 ARG A 69 10.479 6.603 -26.891 1.00 11.55 H new ATOM 0 HB3 ARG A 69 11.926 5.982 -26.122 1.00 11.55 H new ATOM 0 HG2 ARG A 69 12.039 7.885 -24.941 1.00 61.52 H new ATOM 0 HG3 ARG A 69 12.436 8.730 -26.424 1.00 61.52 H new ATOM 0 HD2 ARG A 69 9.835 8.753 -26.819 1.00 13.44 H new ATOM 0 HD3 ARG A 69 9.735 8.405 -25.104 1.00 13.44 H new ATOM 0 HE ARG A 69 11.449 10.559 -25.164 1.00 65.52 H new ATOM 0 HH11 ARG A 69 8.277 9.899 -26.566 1.00 32.43 H new ATOM 0 HH12 ARG A 69 7.773 11.592 -26.512 1.00 32.43 H new ATOM 0 HH21 ARG A 69 10.795 12.730 -25.098 1.00 74.11 H new ATOM 0 HH22 ARG A 69 9.193 13.188 -25.684 1.00 74.11 H new ATOM 1103 N GLY A 70 14.452 6.328 -28.993 1.00 24.03 N ATOM 1104 CA GLY A 70 15.836 5.895 -28.937 1.00 63.10 C ATOM 1105 C GLY A 70 16.810 7.054 -29.014 1.00 61.14 C ATOM 1106 O GLY A 70 16.406 8.216 -28.983 1.00 50.22 O ATOM 0 H GLY A 70 14.128 6.612 -29.918 1.00 24.03 H new ATOM 0 HA2 GLY A 70 16.004 5.344 -28.011 1.00 63.10 H new ATOM 0 HA3 GLY A 70 16.031 5.205 -29.758 1.00 63.10 H new ATOM 1110 N SER A 71 18.097 6.738 -29.114 1.00 23.31 N ATOM 1111 CA SER A 71 19.132 7.762 -29.190 1.00 64.02 C ATOM 1112 C SER A 71 18.884 8.699 -30.369 1.00 30.44 C ATOM 1113 O SER A 71 18.158 8.376 -31.309 1.00 61.41 O ATOM 1114 CB SER A 71 20.512 7.114 -29.321 1.00 41.11 C ATOM 1115 OG SER A 71 20.430 5.706 -29.183 1.00 14.23 O ATOM 0 H SER A 71 18.448 5.781 -29.144 1.00 23.31 H new ATOM 0 HA SER A 71 19.098 8.346 -28.270 1.00 64.02 H new ATOM 0 HB2 SER A 71 20.943 7.363 -30.291 1.00 41.11 H new ATOM 0 HB3 SER A 71 21.181 7.519 -28.561 1.00 41.11 H new ATOM 0 HG SER A 71 21.325 5.316 -29.272 1.00 14.23 H new ATOM 1121 N PRO A 72 19.501 9.889 -30.318 1.00 32.43 N ATOM 1122 CA PRO A 72 19.363 10.897 -31.372 1.00 41.44 C ATOM 1123 C PRO A 72 20.057 10.483 -32.665 1.00 61.23 C ATOM 1124 O PRO A 72 19.675 10.917 -33.751 1.00 44.05 O ATOM 1125 CB PRO A 72 20.042 12.132 -30.773 1.00 75.23 C ATOM 1126 CG PRO A 72 21.012 11.587 -29.782 1.00 53.44 C ATOM 1127 CD PRO A 72 20.381 10.341 -29.227 1.00 33.31 C ATOM 0 HA PRO A 72 18.321 11.058 -31.648 1.00 41.44 H new ATOM 0 HB2 PRO A 72 20.547 12.718 -31.541 1.00 75.23 H new ATOM 0 HB3 PRO A 72 19.316 12.791 -30.296 1.00 75.23 H new ATOM 0 HG2 PRO A 72 21.968 11.363 -30.255 1.00 53.44 H new ATOM 0 HG3 PRO A 72 21.209 12.310 -28.991 1.00 53.44 H new ATOM 0 HD2 PRO A 72 21.129 9.589 -28.977 1.00 33.31 H new ATOM 0 HD3 PRO A 72 19.819 10.547 -28.316 1.00 33.31 H new ATOM 1135 N GLU A 73 21.078 9.640 -32.540 1.00 13.21 N ATOM 1136 CA GLU A 73 21.825 9.168 -33.700 1.00 15.01 C ATOM 1137 C GLU A 73 21.123 7.980 -34.352 1.00 53.32 C ATOM 1138 O GLU A 73 20.600 8.087 -35.461 1.00 54.33 O ATOM 1139 CB GLU A 73 23.246 8.774 -33.293 1.00 40.13 C ATOM 1140 CG GLU A 73 24.214 9.945 -33.252 1.00 72.32 C ATOM 1141 CD GLU A 73 25.645 9.529 -33.532 1.00 71.33 C ATOM 1142 OE1 GLU A 73 26.050 8.444 -33.066 1.00 22.24 O ATOM 1143 OE2 GLU A 73 26.359 10.289 -34.219 1.00 63.21 O ATOM 0 H GLU A 73 21.406 9.270 -31.648 1.00 13.21 H new ATOM 0 HA GLU A 73 21.874 9.981 -34.424 1.00 15.01 H new ATOM 0 HB2 GLU A 73 23.216 8.303 -32.310 1.00 40.13 H new ATOM 0 HB3 GLU A 73 23.622 8.027 -33.993 1.00 40.13 H new ATOM 0 HG2 GLU A 73 23.907 10.691 -33.984 1.00 72.32 H new ATOM 0 HG3 GLU A 73 24.163 10.420 -32.272 1.00 72.32 H new ATOM 1150 N SER A 74 21.117 6.848 -33.655 1.00 54.43 N ATOM 1151 CA SER A 74 20.484 5.639 -34.168 1.00 34.24 C ATOM 1152 C SER A 74 19.001 5.875 -34.439 1.00 60.05 C ATOM 1153 O SER A 74 18.207 6.041 -33.513 1.00 52.31 O ATOM 1154 CB SER A 74 20.654 4.488 -33.174 1.00 5.33 C ATOM 1155 OG SER A 74 19.611 3.539 -33.308 1.00 60.12 O ATOM 0 H SER A 74 21.543 6.743 -32.734 1.00 54.43 H new ATOM 0 HA SER A 74 20.970 5.375 -35.107 1.00 34.24 H new ATOM 0 HB2 SER A 74 21.616 4.001 -33.338 1.00 5.33 H new ATOM 0 HB3 SER A 74 20.664 4.880 -32.157 1.00 5.33 H new ATOM 0 HG SER A 74 19.550 3.002 -32.490 1.00 60.12 H new ATOM 1161 N HIS A 75 18.635 5.888 -35.717 1.00 50.53 N ATOM 1162 CA HIS A 75 17.248 6.104 -36.113 1.00 34.31 C ATOM 1163 C HIS A 75 16.528 4.774 -36.317 1.00 65.35 C ATOM 1164 O HIS A 75 16.957 3.942 -37.118 1.00 42.33 O ATOM 1165 CB HIS A 75 17.184 6.934 -37.395 1.00 72.23 C ATOM 1166 CG HIS A 75 15.862 7.606 -37.609 1.00 24.14 C ATOM 1167 ND1 HIS A 75 15.621 8.918 -37.261 1.00 13.12 N ATOM 1168 CD2 HIS A 75 14.708 7.140 -38.140 1.00 12.05 C ATOM 1169 CE1 HIS A 75 14.374 9.230 -37.567 1.00 31.21 C ATOM 1170 NE2 HIS A 75 13.798 8.168 -38.102 1.00 44.30 N ATOM 0 H HIS A 75 19.280 5.752 -36.496 1.00 50.53 H new ATOM 0 HA HIS A 75 16.748 6.649 -35.312 1.00 34.31 H new ATOM 0 HB2 HIS A 75 17.967 7.692 -37.367 1.00 72.23 H new ATOM 0 HB3 HIS A 75 17.396 6.288 -38.247 1.00 72.23 H new ATOM 0 HD2 HIS A 75 14.535 6.145 -38.522 1.00 12.05 H new ATOM 0 HE1 HIS A 75 13.905 10.190 -37.407 1.00 31.21 H new ATOM 0 HE2 HIS A 75 12.834 8.120 -38.433 1.00 44.30 H new ATOM 1178 N ILE A 76 15.435 4.580 -35.588 1.00 73.15 N ATOM 1179 CA ILE A 76 14.657 3.351 -35.691 1.00 12.42 C ATOM 1180 C ILE A 76 13.485 3.521 -36.652 1.00 2.01 C ATOM 1181 O ILE A 76 12.408 3.972 -36.261 1.00 24.32 O ATOM 1182 CB ILE A 76 14.119 2.909 -34.317 1.00 3.42 C ATOM 1183 CG1 ILE A 76 15.277 2.668 -33.346 1.00 13.24 C ATOM 1184 CG2 ILE A 76 13.270 1.655 -34.459 1.00 12.30 C ATOM 1185 CD1 ILE A 76 14.942 3.010 -31.910 1.00 44.25 C ATOM 0 H ILE A 76 15.068 5.257 -34.920 1.00 73.15 H new ATOM 0 HA ILE A 76 15.329 2.583 -36.074 1.00 12.42 H new ATOM 0 HB ILE A 76 13.492 3.705 -33.915 1.00 3.42 H new ATOM 0 HG12 ILE A 76 15.576 1.621 -33.402 1.00 13.24 H new ATOM 0 HG13 ILE A 76 16.135 3.261 -33.662 1.00 13.24 H new ATOM 0 HG21 ILE A 76 12.897 1.355 -33.480 1.00 12.30 H new ATOM 0 HG22 ILE A 76 12.428 1.859 -35.121 1.00 12.30 H new ATOM 0 HG23 ILE A 76 13.875 0.851 -34.878 1.00 12.30 H new ATOM 0 HD11 ILE A 76 15.808 2.815 -31.278 1.00 44.25 H new ATOM 0 HD12 ILE A 76 14.672 4.064 -31.840 1.00 44.25 H new ATOM 0 HD13 ILE A 76 14.104 2.398 -31.576 1.00 44.25 H new ATOM 1197 N ASP A 77 13.702 3.155 -37.910 1.00 41.45 N ATOM 1198 CA ASP A 77 12.663 3.264 -38.928 1.00 43.11 C ATOM 1199 C ASP A 77 11.527 2.284 -38.652 1.00 24.01 C ATOM 1200 O ASP A 77 10.387 2.508 -39.059 1.00 30.44 O ATOM 1201 CB ASP A 77 13.250 3.005 -40.316 1.00 44.35 C ATOM 1202 CG ASP A 77 12.326 3.457 -41.430 1.00 13.24 C ATOM 1203 OD1 ASP A 77 11.554 4.414 -41.209 1.00 33.15 O ATOM 1204 OD2 ASP A 77 12.375 2.855 -42.522 1.00 75.32 O ATOM 0 H ASP A 77 14.588 2.780 -38.250 1.00 41.45 H new ATOM 0 HA ASP A 77 12.261 4.277 -38.895 1.00 43.11 H new ATOM 0 HB2 ASP A 77 14.204 3.524 -40.406 1.00 44.35 H new ATOM 0 HB3 ASP A 77 13.455 1.940 -40.428 1.00 44.35 H new ATOM 1209 N LYS A 78 11.847 1.196 -37.959 1.00 13.44 N ATOM 1210 CA LYS A 78 10.854 0.181 -37.627 1.00 42.00 C ATOM 1211 C LYS A 78 11.405 -0.803 -36.600 1.00 14.25 C ATOM 1212 O LYS A 78 12.604 -1.075 -36.567 1.00 44.43 O ATOM 1213 CB LYS A 78 10.422 -0.571 -38.888 1.00 45.42 C ATOM 1214 CG LYS A 78 11.582 -0.971 -39.784 1.00 54.04 C ATOM 1215 CD LYS A 78 11.204 -2.119 -40.705 1.00 31.52 C ATOM 1216 CE LYS A 78 12.377 -2.546 -41.574 1.00 22.54 C ATOM 1217 NZ LYS A 78 12.754 -1.491 -42.555 1.00 31.35 N ATOM 0 H LYS A 78 12.786 0.995 -37.616 1.00 13.44 H new ATOM 0 HA LYS A 78 9.988 0.683 -37.196 1.00 42.00 H new ATOM 0 HB2 LYS A 78 9.873 -1.466 -38.597 1.00 45.42 H new ATOM 0 HB3 LYS A 78 9.734 0.054 -39.456 1.00 45.42 H new ATOM 0 HG2 LYS A 78 11.896 -0.114 -40.379 1.00 54.04 H new ATOM 0 HG3 LYS A 78 12.434 -1.261 -39.170 1.00 54.04 H new ATOM 0 HD2 LYS A 78 10.863 -2.967 -40.111 1.00 31.52 H new ATOM 0 HD3 LYS A 78 10.370 -1.818 -41.339 1.00 31.52 H new ATOM 0 HE2 LYS A 78 13.234 -2.775 -40.940 1.00 22.54 H new ATOM 0 HE3 LYS A 78 12.120 -3.462 -42.106 1.00 22.54 H new ATOM 0 HZ1 LYS A 78 13.463 -1.868 -43.215 1.00 31.35 H new ATOM 0 HZ2 LYS A 78 11.911 -1.193 -43.086 1.00 31.35 H new ATOM 0 HZ3 LYS A 78 13.152 -0.674 -42.050 1.00 31.35 H new ATOM 1231 N ALA A 79 10.520 -1.334 -35.763 1.00 34.34 N ATOM 1232 CA ALA A 79 10.917 -2.291 -34.737 1.00 12.42 C ATOM 1233 C ALA A 79 9.915 -3.436 -34.636 1.00 40.13 C ATOM 1234 O ALA A 79 8.923 -3.470 -35.363 1.00 31.42 O ATOM 1235 CB ALA A 79 11.060 -1.593 -33.392 1.00 45.02 C ATOM 0 H ALA A 79 9.523 -1.118 -35.775 1.00 34.34 H new ATOM 0 HA ALA A 79 11.882 -2.711 -35.021 1.00 12.42 H new ATOM 0 HB1 ALA A 79 11.357 -2.319 -32.635 1.00 45.02 H new ATOM 0 HB2 ALA A 79 11.819 -0.814 -33.465 1.00 45.02 H new ATOM 0 HB3 ALA A 79 10.107 -1.145 -33.111 1.00 45.02 H new ATOM 1241 N ASN A 80 10.182 -4.372 -33.732 1.00 22.05 N ATOM 1242 CA ASN A 80 9.304 -5.520 -33.537 1.00 60.13 C ATOM 1243 C ASN A 80 9.777 -6.375 -32.365 1.00 42.25 C ATOM 1244 O ASN A 80 10.911 -6.855 -32.351 1.00 51.21 O ATOM 1245 CB ASN A 80 9.248 -6.367 -34.811 1.00 13.45 C ATOM 1246 CG ASN A 80 7.970 -7.178 -34.910 1.00 1.44 C ATOM 1247 OD1 ASN A 80 7.780 -8.149 -34.178 1.00 21.13 O ATOM 1248 ND2 ASN A 80 7.087 -6.781 -35.818 1.00 72.14 N ATOM 0 H ASN A 80 11.000 -4.358 -33.122 1.00 22.05 H new ATOM 0 HA ASN A 80 8.305 -5.147 -33.311 1.00 60.13 H new ATOM 0 HB2 ASN A 80 9.330 -5.716 -35.681 1.00 13.45 H new ATOM 0 HB3 ASN A 80 10.105 -7.040 -34.835 1.00 13.45 H new ATOM 0 HD21 ASN A 80 6.209 -7.287 -35.930 1.00 72.14 H new ATOM 0 HD22 ASN A 80 7.287 -5.970 -36.403 1.00 72.14 H new ATOM 1255 N PHE A 81 8.901 -6.561 -31.384 1.00 75.44 N ATOM 1256 CA PHE A 81 9.228 -7.358 -30.208 1.00 1.04 C ATOM 1257 C PHE A 81 8.707 -8.785 -30.355 1.00 3.35 C ATOM 1258 O PHE A 81 7.673 -9.019 -30.980 1.00 30.53 O ATOM 1259 CB PHE A 81 8.639 -6.715 -28.950 1.00 62.03 C ATOM 1260 CG PHE A 81 7.170 -6.420 -29.059 1.00 64.53 C ATOM 1261 CD1 PHE A 81 6.232 -7.410 -28.815 1.00 11.14 C ATOM 1262 CD2 PHE A 81 6.728 -5.154 -29.407 1.00 63.21 C ATOM 1263 CE1 PHE A 81 4.879 -7.142 -28.914 1.00 25.13 C ATOM 1264 CE2 PHE A 81 5.377 -4.880 -29.507 1.00 64.43 C ATOM 1265 CZ PHE A 81 4.452 -5.876 -29.262 1.00 12.25 C ATOM 0 H PHE A 81 7.959 -6.170 -31.380 1.00 75.44 H new ATOM 0 HA PHE A 81 10.313 -7.394 -30.115 1.00 1.04 H new ATOM 0 HB2 PHE A 81 8.806 -7.377 -28.101 1.00 62.03 H new ATOM 0 HB3 PHE A 81 9.173 -5.788 -28.741 1.00 62.03 H new ATOM 0 HD1 PHE A 81 6.561 -8.402 -28.544 1.00 11.14 H new ATOM 0 HD2 PHE A 81 7.447 -4.372 -29.602 1.00 63.21 H new ATOM 0 HE1 PHE A 81 4.158 -7.922 -28.719 1.00 25.13 H new ATOM 0 HE2 PHE A 81 5.045 -3.888 -29.776 1.00 64.43 H new ATOM 0 HZ PHE A 81 3.396 -5.665 -29.343 1.00 12.25 H new ATOM 1275 N LYS A 82 9.432 -9.735 -29.774 1.00 60.32 N ATOM 1276 CA LYS A 82 9.045 -11.140 -29.838 1.00 42.44 C ATOM 1277 C LYS A 82 8.011 -11.469 -28.766 1.00 44.32 C ATOM 1278 O LYS A 82 7.559 -10.588 -28.036 1.00 25.23 O ATOM 1279 CB LYS A 82 10.274 -12.037 -29.670 1.00 13.52 C ATOM 1280 CG LYS A 82 11.220 -12.002 -30.858 1.00 14.04 C ATOM 1281 CD LYS A 82 10.830 -13.026 -31.911 1.00 11.33 C ATOM 1282 CE LYS A 82 9.760 -12.484 -32.846 1.00 13.32 C ATOM 1283 NZ LYS A 82 9.765 -13.183 -34.160 1.00 65.52 N ATOM 0 H LYS A 82 10.291 -9.558 -29.253 1.00 60.32 H new ATOM 0 HA LYS A 82 8.600 -11.324 -30.816 1.00 42.44 H new ATOM 0 HB2 LYS A 82 10.817 -11.732 -28.775 1.00 13.52 H new ATOM 0 HB3 LYS A 82 9.945 -13.063 -29.509 1.00 13.52 H new ATOM 0 HG2 LYS A 82 11.215 -11.005 -31.299 1.00 14.04 H new ATOM 0 HG3 LYS A 82 12.238 -12.196 -30.520 1.00 14.04 H new ATOM 0 HD2 LYS A 82 11.710 -13.309 -32.489 1.00 11.33 H new ATOM 0 HD3 LYS A 82 10.465 -13.930 -31.423 1.00 11.33 H new ATOM 0 HE2 LYS A 82 8.781 -12.594 -32.380 1.00 13.32 H new ATOM 0 HE3 LYS A 82 9.921 -11.417 -33.002 1.00 13.32 H new ATOM 0 HZ1 LYS A 82 9.021 -12.784 -34.768 1.00 65.52 H new ATOM 0 HZ2 LYS A 82 10.691 -13.057 -34.617 1.00 65.52 H new ATOM 0 HZ3 LYS A 82 9.586 -14.197 -34.014 1.00 65.52 H new ATOM 1297 N ASN A 83 7.643 -12.743 -28.677 1.00 54.53 N ATOM 1298 CA ASN A 83 6.663 -13.188 -27.693 1.00 54.43 C ATOM 1299 C ASN A 83 7.286 -13.269 -26.303 1.00 51.01 C ATOM 1300 O ASN A 83 7.948 -14.250 -25.966 1.00 44.42 O ATOM 1301 CB ASN A 83 6.094 -14.551 -28.090 1.00 72.50 C ATOM 1302 CG ASN A 83 4.809 -14.879 -27.353 1.00 42.33 C ATOM 1303 OD1 ASN A 83 4.714 -14.699 -26.139 1.00 53.52 O ATOM 1304 ND2 ASN A 83 3.814 -15.363 -28.087 1.00 14.32 N ATOM 0 H ASN A 83 8.008 -13.485 -29.274 1.00 54.53 H new ATOM 0 HA ASN A 83 5.854 -12.458 -27.667 1.00 54.43 H new ATOM 0 HB2 ASN A 83 5.907 -14.565 -29.164 1.00 72.50 H new ATOM 0 HB3 ASN A 83 6.834 -15.324 -27.885 1.00 72.50 H new ATOM 0 HD21 ASN A 83 2.925 -15.602 -27.647 1.00 14.32 H new ATOM 0 HD22 ASN A 83 3.938 -15.495 -29.091 1.00 14.32 H new ATOM 1311 N GLU A 84 7.068 -12.232 -25.501 1.00 14.40 N ATOM 1312 CA GLU A 84 7.608 -12.186 -24.148 1.00 24.35 C ATOM 1313 C GLU A 84 7.255 -13.456 -23.378 1.00 1.33 C ATOM 1314 O GLU A 84 6.195 -14.047 -23.585 1.00 11.43 O ATOM 1315 CB GLU A 84 7.076 -10.960 -23.403 1.00 23.34 C ATOM 1316 CG GLU A 84 5.609 -11.069 -23.022 1.00 3.40 C ATOM 1317 CD GLU A 84 5.402 -11.768 -21.693 1.00 35.41 C ATOM 1318 OE1 GLU A 84 6.409 -12.073 -21.020 1.00 35.40 O ATOM 1319 OE2 GLU A 84 4.233 -12.011 -21.326 1.00 20.22 O ATOM 0 H GLU A 84 6.521 -11.412 -25.765 1.00 14.40 H new ATOM 0 HA GLU A 84 8.693 -12.115 -24.220 1.00 24.35 H new ATOM 0 HB2 GLU A 84 7.667 -10.809 -22.500 1.00 23.34 H new ATOM 0 HB3 GLU A 84 7.216 -10.077 -24.027 1.00 23.34 H new ATOM 0 HG2 GLU A 84 5.175 -10.070 -22.975 1.00 3.40 H new ATOM 0 HG3 GLU A 84 5.075 -11.612 -23.801 1.00 3.40 H new ATOM 1326 N LYS A 85 8.151 -13.870 -22.489 1.00 24.22 N ATOM 1327 CA LYS A 85 7.936 -15.069 -21.686 1.00 45.45 C ATOM 1328 C LYS A 85 7.916 -14.731 -20.199 1.00 63.01 C ATOM 1329 O LYS A 85 8.835 -14.092 -19.685 1.00 35.54 O ATOM 1330 CB LYS A 85 9.030 -16.101 -21.971 1.00 52.22 C ATOM 1331 CG LYS A 85 8.755 -17.463 -21.358 1.00 74.13 C ATOM 1332 CD LYS A 85 7.786 -18.270 -22.206 1.00 35.32 C ATOM 1333 CE LYS A 85 7.713 -19.718 -21.744 1.00 4.31 C ATOM 1334 NZ LYS A 85 7.192 -20.615 -22.811 1.00 72.35 N ATOM 0 H LYS A 85 9.034 -13.393 -22.306 1.00 24.22 H new ATOM 0 HA LYS A 85 6.968 -15.490 -21.958 1.00 45.45 H new ATOM 0 HB2 LYS A 85 9.140 -16.213 -23.050 1.00 52.22 H new ATOM 0 HB3 LYS A 85 9.980 -15.726 -21.591 1.00 52.22 H new ATOM 0 HG2 LYS A 85 9.691 -18.011 -21.252 1.00 74.13 H new ATOM 0 HG3 LYS A 85 8.345 -17.336 -20.356 1.00 74.13 H new ATOM 0 HD2 LYS A 85 6.794 -17.820 -22.155 1.00 35.32 H new ATOM 0 HD3 LYS A 85 8.098 -18.235 -23.250 1.00 35.32 H new ATOM 0 HE2 LYS A 85 8.705 -20.053 -21.441 1.00 4.31 H new ATOM 0 HE3 LYS A 85 7.071 -19.787 -20.866 1.00 4.31 H new ATOM 0 HZ1 LYS A 85 7.158 -21.592 -22.457 1.00 72.35 H new ATOM 0 HZ2 LYS A 85 6.235 -20.311 -23.083 1.00 72.35 H new ATOM 0 HZ3 LYS A 85 7.819 -20.569 -23.640 1.00 72.35 H new ATOM 1348 N VAL A 86 6.864 -15.165 -19.513 1.00 20.15 N ATOM 1349 CA VAL A 86 6.726 -14.911 -18.083 1.00 71.25 C ATOM 1350 C VAL A 86 7.593 -15.865 -17.269 1.00 43.35 C ATOM 1351 O VAL A 86 7.326 -17.065 -17.210 1.00 32.23 O ATOM 1352 CB VAL A 86 5.261 -15.051 -17.628 1.00 3.14 C ATOM 1353 CG1 VAL A 86 5.143 -14.811 -16.130 1.00 53.43 C ATOM 1354 CG2 VAL A 86 4.369 -14.093 -18.402 1.00 51.20 C ATOM 0 H VAL A 86 6.095 -15.694 -19.924 1.00 20.15 H new ATOM 0 HA VAL A 86 7.057 -13.887 -17.910 1.00 71.25 H new ATOM 0 HB VAL A 86 4.929 -16.068 -17.836 1.00 3.14 H new ATOM 0 HG11 VAL A 86 4.101 -14.914 -15.826 1.00 53.43 H new ATOM 0 HG12 VAL A 86 5.751 -15.541 -15.596 1.00 53.43 H new ATOM 0 HG13 VAL A 86 5.492 -13.806 -15.894 1.00 53.43 H new ATOM 0 HG21 VAL A 86 3.338 -14.206 -18.068 1.00 51.20 H new ATOM 0 HG22 VAL A 86 4.697 -13.068 -18.227 1.00 51.20 H new ATOM 0 HG23 VAL A 86 4.432 -14.317 -19.467 1.00 51.20 H new ATOM 1364 N ILE A 87 8.633 -15.322 -16.644 1.00 35.41 N ATOM 1365 CA ILE A 87 9.539 -16.125 -15.832 1.00 35.02 C ATOM 1366 C ILE A 87 9.383 -15.799 -14.350 1.00 62.42 C ATOM 1367 O ILE A 87 8.617 -14.910 -13.975 1.00 63.45 O ATOM 1368 CB ILE A 87 11.007 -15.906 -16.243 1.00 35.22 C ATOM 1369 CG1 ILE A 87 11.315 -14.411 -16.339 1.00 14.43 C ATOM 1370 CG2 ILE A 87 11.295 -16.598 -17.567 1.00 14.11 C ATOM 1371 CD1 ILE A 87 12.746 -14.112 -16.728 1.00 34.13 C ATOM 0 H ILE A 87 8.869 -14.330 -16.684 1.00 35.41 H new ATOM 0 HA ILE A 87 9.275 -17.169 -16.002 1.00 35.02 H new ATOM 0 HB ILE A 87 11.652 -16.342 -15.480 1.00 35.22 H new ATOM 0 HG12 ILE A 87 10.646 -13.957 -17.070 1.00 14.43 H new ATOM 0 HG13 ILE A 87 11.103 -13.942 -15.378 1.00 14.43 H new ATOM 0 HG21 ILE A 87 12.336 -16.434 -17.844 1.00 14.11 H new ATOM 0 HG22 ILE A 87 11.110 -17.667 -17.466 1.00 14.11 H new ATOM 0 HG23 ILE A 87 10.645 -16.189 -18.340 1.00 14.11 H new ATOM 0 HD11 ILE A 87 12.892 -13.033 -16.777 1.00 34.13 H new ATOM 0 HD12 ILE A 87 13.421 -14.536 -15.985 1.00 34.13 H new ATOM 0 HD13 ILE A 87 12.957 -14.551 -17.703 1.00 34.13 H new ATOM 1383 N LEU A 88 10.116 -16.523 -13.511 1.00 73.42 N ATOM 1384 CA LEU A 88 10.061 -16.311 -12.069 1.00 5.21 C ATOM 1385 C LEU A 88 11.287 -15.543 -11.585 1.00 45.12 C ATOM 1386 O LEU A 88 11.223 -14.804 -10.603 1.00 10.42 O ATOM 1387 CB LEU A 88 9.965 -17.652 -11.339 1.00 52.32 C ATOM 1388 CG LEU A 88 8.728 -18.496 -11.648 1.00 62.31 C ATOM 1389 CD1 LEU A 88 8.907 -19.915 -11.129 1.00 1.50 C ATOM 1390 CD2 LEU A 88 7.484 -17.859 -11.047 1.00 74.52 C ATOM 0 H LEU A 88 10.755 -17.262 -13.805 1.00 73.42 H new ATOM 0 HA LEU A 88 9.173 -15.719 -11.847 1.00 5.21 H new ATOM 0 HB2 LEU A 88 10.851 -18.239 -11.581 1.00 52.32 H new ATOM 0 HB3 LEU A 88 9.992 -17.462 -10.266 1.00 52.32 H new ATOM 0 HG LEU A 88 8.602 -18.540 -12.730 1.00 62.31 H new ATOM 0 HD11 LEU A 88 8.017 -20.501 -11.358 1.00 1.50 H new ATOM 0 HD12 LEU A 88 9.774 -20.371 -11.607 1.00 1.50 H new ATOM 0 HD13 LEU A 88 9.058 -19.891 -10.050 1.00 1.50 H new ATOM 0 HD21 LEU A 88 6.613 -18.473 -11.277 1.00 74.52 H new ATOM 0 HD22 LEU A 88 7.600 -17.784 -9.966 1.00 74.52 H new ATOM 0 HD23 LEU A 88 7.346 -16.863 -11.467 1.00 74.52 H new ATOM 1402 N LYS A 89 12.404 -15.721 -12.283 1.00 21.31 N ATOM 1403 CA LYS A 89 13.645 -15.043 -11.928 1.00 62.20 C ATOM 1404 C LYS A 89 14.421 -14.639 -13.178 1.00 20.34 C ATOM 1405 O LYS A 89 14.082 -15.046 -14.290 1.00 21.12 O ATOM 1406 CB LYS A 89 14.511 -15.947 -11.047 1.00 73.45 C ATOM 1407 CG LYS A 89 13.806 -16.428 -9.791 1.00 13.12 C ATOM 1408 CD LYS A 89 14.691 -17.354 -8.974 1.00 43.11 C ATOM 1409 CE LYS A 89 15.789 -16.585 -8.256 1.00 4.22 C ATOM 1410 NZ LYS A 89 15.305 -15.988 -6.980 1.00 42.34 N ATOM 0 H LYS A 89 12.475 -16.330 -13.098 1.00 21.31 H new ATOM 0 HA LYS A 89 13.390 -14.141 -11.372 1.00 62.20 H new ATOM 0 HB2 LYS A 89 14.828 -16.812 -11.629 1.00 73.45 H new ATOM 0 HB3 LYS A 89 15.414 -15.406 -10.762 1.00 73.45 H new ATOM 0 HG2 LYS A 89 13.517 -15.570 -9.184 1.00 13.12 H new ATOM 0 HG3 LYS A 89 12.888 -16.948 -10.065 1.00 13.12 H new ATOM 0 HD2 LYS A 89 14.084 -17.890 -8.244 1.00 43.11 H new ATOM 0 HD3 LYS A 89 15.138 -18.103 -9.628 1.00 43.11 H new ATOM 0 HE2 LYS A 89 16.625 -17.253 -8.050 1.00 4.22 H new ATOM 0 HE3 LYS A 89 16.165 -15.795 -8.907 1.00 4.22 H new ATOM 0 HZ1 LYS A 89 16.083 -15.472 -6.521 1.00 42.34 H new ATOM 0 HZ2 LYS A 89 14.524 -15.331 -7.179 1.00 42.34 H new ATOM 0 HZ3 LYS A 89 14.970 -16.743 -6.348 1.00 42.34 H new ATOM 1424 N LEU A 90 15.464 -13.839 -12.988 1.00 12.42 N ATOM 1425 CA LEU A 90 16.289 -13.381 -14.100 1.00 45.10 C ATOM 1426 C LEU A 90 17.617 -14.132 -14.138 1.00 53.40 C ATOM 1427 O LEU A 90 18.234 -14.374 -13.101 1.00 3.41 O ATOM 1428 CB LEU A 90 16.544 -11.877 -13.987 1.00 3.25 C ATOM 1429 CG LEU A 90 15.338 -11.019 -13.604 1.00 10.34 C ATOM 1430 CD1 LEU A 90 15.733 -9.553 -13.512 1.00 41.01 C ATOM 1431 CD2 LEU A 90 14.209 -11.207 -14.607 1.00 25.11 C ATOM 0 H LEU A 90 15.758 -13.494 -12.074 1.00 12.42 H new ATOM 0 HA LEU A 90 15.751 -13.583 -15.026 1.00 45.10 H new ATOM 0 HB2 LEU A 90 17.329 -11.716 -13.248 1.00 3.25 H new ATOM 0 HB3 LEU A 90 16.929 -11.521 -14.943 1.00 3.25 H new ATOM 0 HG LEU A 90 14.984 -11.341 -12.625 1.00 10.34 H new ATOM 0 HD11 LEU A 90 14.862 -8.958 -13.238 1.00 41.01 H new ATOM 0 HD12 LEU A 90 16.508 -9.432 -12.755 1.00 41.01 H new ATOM 0 HD13 LEU A 90 16.113 -9.217 -14.477 1.00 41.01 H new ATOM 0 HD21 LEU A 90 13.359 -10.589 -14.318 1.00 25.11 H new ATOM 0 HD22 LEU A 90 14.551 -10.913 -15.599 1.00 25.11 H new ATOM 0 HD23 LEU A 90 13.907 -12.254 -14.623 1.00 25.11 H new ATOM 1443 N ASP A 91 18.050 -14.495 -15.340 1.00 23.52 N ATOM 1444 CA ASP A 91 19.306 -15.216 -15.514 1.00 3.23 C ATOM 1445 C ASP A 91 20.496 -14.326 -15.166 1.00 53.01 C ATOM 1446 O ASP A 91 21.503 -14.797 -14.637 1.00 34.11 O ATOM 1447 CB ASP A 91 19.434 -15.721 -16.952 1.00 4.23 C ATOM 1448 CG ASP A 91 20.322 -16.945 -17.058 1.00 72.43 C ATOM 1449 OD1 ASP A 91 21.134 -17.171 -16.137 1.00 43.34 O ATOM 1450 OD2 ASP A 91 20.204 -17.678 -18.063 1.00 44.01 O ATOM 0 H ASP A 91 17.550 -14.302 -16.208 1.00 23.52 H new ATOM 0 HA ASP A 91 19.303 -16.070 -14.837 1.00 3.23 H new ATOM 0 HB2 ASP A 91 18.444 -15.959 -17.340 1.00 4.23 H new ATOM 0 HB3 ASP A 91 19.839 -14.926 -17.579 1.00 4.23 H new ATOM 1455 N TYR A 92 20.373 -13.038 -15.468 1.00 34.31 N ATOM 1456 CA TYR A 92 21.439 -12.083 -15.191 1.00 13.02 C ATOM 1457 C TYR A 92 21.083 -11.201 -13.998 1.00 41.30 C ATOM 1458 O TYR A 92 19.916 -11.080 -13.627 1.00 34.00 O ATOM 1459 CB TYR A 92 21.706 -11.214 -16.421 1.00 14.33 C ATOM 1460 CG TYR A 92 22.148 -12.000 -17.634 1.00 21.42 C ATOM 1461 CD1 TYR A 92 21.217 -12.541 -18.513 1.00 24.35 C ATOM 1462 CD2 TYR A 92 23.496 -12.204 -17.901 1.00 3.23 C ATOM 1463 CE1 TYR A 92 21.617 -13.261 -19.622 1.00 31.42 C ATOM 1464 CE2 TYR A 92 23.905 -12.921 -19.008 1.00 72.22 C ATOM 1465 CZ TYR A 92 22.962 -13.448 -19.866 1.00 35.24 C ATOM 1466 OH TYR A 92 23.364 -14.165 -20.969 1.00 45.31 O ATOM 0 H TYR A 92 19.546 -12.632 -15.905 1.00 34.31 H new ATOM 0 HA TYR A 92 22.341 -12.644 -14.948 1.00 13.02 H new ATOM 0 HB2 TYR A 92 20.800 -10.660 -16.668 1.00 14.33 H new ATOM 0 HB3 TYR A 92 22.472 -10.478 -16.176 1.00 14.33 H new ATOM 0 HD1 TYR A 92 20.163 -12.396 -18.326 1.00 24.35 H new ATOM 0 HD2 TYR A 92 24.237 -11.794 -17.231 1.00 3.23 H new ATOM 0 HE1 TYR A 92 20.881 -13.675 -20.295 1.00 31.42 H new ATOM 0 HE2 TYR A 92 24.957 -13.068 -19.201 1.00 72.22 H new ATOM 0 HH TYR A 92 24.343 -14.203 -20.996 1.00 45.31 H new ATOM 1476 N SER A 93 22.099 -10.585 -13.402 1.00 22.22 N ATOM 1477 CA SER A 93 21.896 -9.716 -12.249 1.00 0.12 C ATOM 1478 C SER A 93 22.009 -8.248 -12.649 1.00 5.13 C ATOM 1479 O SER A 93 21.428 -7.372 -12.008 1.00 41.11 O ATOM 1480 CB SER A 93 22.915 -10.038 -11.154 1.00 62.44 C ATOM 1481 OG SER A 93 23.276 -11.409 -11.181 1.00 14.41 O ATOM 0 H SER A 93 23.071 -10.672 -13.699 1.00 22.22 H new ATOM 0 HA SER A 93 20.892 -9.894 -11.864 1.00 0.12 H new ATOM 0 HB2 SER A 93 23.804 -9.422 -11.288 1.00 62.44 H new ATOM 0 HB3 SER A 93 22.497 -9.788 -10.179 1.00 62.44 H new ATOM 0 HG SER A 93 23.929 -11.589 -10.473 1.00 14.41 H new ATOM 1487 N ASP A 94 22.762 -7.987 -13.712 1.00 23.53 N ATOM 1488 CA ASP A 94 22.952 -6.626 -14.199 1.00 64.21 C ATOM 1489 C ASP A 94 23.201 -6.618 -15.704 1.00 51.32 C ATOM 1490 O ASP A 94 23.773 -7.559 -16.255 1.00 11.31 O ATOM 1491 CB ASP A 94 24.122 -5.960 -13.473 1.00 21.33 C ATOM 1492 CG ASP A 94 23.948 -4.459 -13.350 1.00 22.34 C ATOM 1493 OD1 ASP A 94 22.788 -3.996 -13.323 1.00 25.34 O ATOM 1494 OD2 ASP A 94 24.972 -3.748 -13.280 1.00 12.35 O ATOM 0 H ASP A 94 23.251 -8.700 -14.253 1.00 23.53 H new ATOM 0 HA ASP A 94 22.041 -6.063 -13.996 1.00 64.21 H new ATOM 0 HB2 ASP A 94 24.223 -6.394 -12.478 1.00 21.33 H new ATOM 0 HB3 ASP A 94 25.047 -6.173 -14.009 1.00 21.33 H new ATOM 1499 N PHE A 95 22.766 -5.549 -16.364 1.00 64.45 N ATOM 1500 CA PHE A 95 22.940 -5.419 -17.807 1.00 33.25 C ATOM 1501 C PHE A 95 24.418 -5.315 -18.169 1.00 62.04 C ATOM 1502 O PHE A 95 25.179 -4.601 -17.516 1.00 72.51 O ATOM 1503 CB PHE A 95 22.188 -4.190 -18.323 1.00 25.31 C ATOM 1504 CG PHE A 95 21.743 -4.317 -19.752 1.00 12.23 C ATOM 1505 CD1 PHE A 95 22.670 -4.350 -20.780 1.00 64.52 C ATOM 1506 CD2 PHE A 95 20.396 -4.401 -20.066 1.00 70.41 C ATOM 1507 CE1 PHE A 95 22.264 -4.467 -22.096 1.00 73.21 C ATOM 1508 CE2 PHE A 95 19.983 -4.519 -21.380 1.00 4.31 C ATOM 1509 CZ PHE A 95 20.918 -4.550 -22.396 1.00 62.33 C ATOM 0 H PHE A 95 22.291 -4.761 -15.923 1.00 64.45 H new ATOM 0 HA PHE A 95 22.531 -6.312 -18.280 1.00 33.25 H new ATOM 0 HB2 PHE A 95 21.316 -4.017 -17.693 1.00 25.31 H new ATOM 0 HB3 PHE A 95 22.830 -3.314 -18.227 1.00 25.31 H new ATOM 0 HD1 PHE A 95 23.723 -4.283 -20.551 1.00 64.52 H new ATOM 0 HD2 PHE A 95 19.661 -4.374 -19.275 1.00 70.41 H new ATOM 0 HE1 PHE A 95 22.998 -4.493 -22.888 1.00 73.21 H new ATOM 0 HE2 PHE A 95 18.930 -4.587 -21.612 1.00 4.31 H new ATOM 0 HZ PHE A 95 20.597 -4.639 -23.423 1.00 62.33 H new ATOM 1519 N GLN A 96 24.817 -6.032 -19.215 1.00 33.41 N ATOM 1520 CA GLN A 96 26.204 -6.022 -19.664 1.00 11.21 C ATOM 1521 C GLN A 96 26.291 -5.717 -21.156 1.00 11.23 C ATOM 1522 O GLN A 96 25.299 -5.816 -21.878 1.00 73.31 O ATOM 1523 CB GLN A 96 26.869 -7.367 -19.367 1.00 35.13 C ATOM 1524 CG GLN A 96 28.376 -7.276 -19.193 1.00 11.22 C ATOM 1525 CD GLN A 96 28.925 -8.356 -18.281 1.00 52.34 C ATOM 1526 OE1 GLN A 96 28.180 -8.994 -17.538 1.00 33.25 O ATOM 1527 NE2 GLN A 96 30.235 -8.566 -18.335 1.00 32.33 N ATOM 0 H GLN A 96 24.199 -6.627 -19.767 1.00 33.41 H new ATOM 0 HA GLN A 96 26.729 -5.237 -19.120 1.00 11.21 H new ATOM 0 HB2 GLN A 96 26.432 -7.787 -18.461 1.00 35.13 H new ATOM 0 HB3 GLN A 96 26.647 -8.060 -20.179 1.00 35.13 H new ATOM 0 HG2 GLN A 96 28.856 -7.352 -20.169 1.00 11.22 H new ATOM 0 HG3 GLN A 96 28.632 -6.298 -18.787 1.00 11.22 H new ATOM 0 HE21 GLN A 96 30.815 -8.013 -18.966 1.00 32.33 H new ATOM 0 HE22 GLN A 96 30.662 -9.280 -17.745 1.00 32.33 H new ATOM 1536 N ILE A 97 27.483 -5.345 -21.610 1.00 31.11 N ATOM 1537 CA ILE A 97 27.699 -5.026 -23.016 1.00 32.52 C ATOM 1538 C ILE A 97 28.486 -6.129 -23.715 1.00 23.42 C ATOM 1539 O ILE A 97 29.665 -6.342 -23.430 1.00 0.41 O ATOM 1540 CB ILE A 97 28.449 -3.692 -23.182 1.00 13.52 C ATOM 1541 CG1 ILE A 97 27.679 -2.561 -22.496 1.00 43.41 C ATOM 1542 CG2 ILE A 97 28.656 -3.380 -24.656 1.00 70.35 C ATOM 1543 CD1 ILE A 97 28.359 -1.214 -22.606 1.00 42.21 C ATOM 0 H ILE A 97 28.314 -5.257 -21.025 1.00 31.11 H new ATOM 0 HA ILE A 97 26.714 -4.939 -23.475 1.00 32.52 H new ATOM 0 HB ILE A 97 29.427 -3.781 -22.709 1.00 13.52 H new ATOM 0 HG12 ILE A 97 26.683 -2.493 -22.933 1.00 43.41 H new ATOM 0 HG13 ILE A 97 27.548 -2.808 -21.442 1.00 43.41 H new ATOM 0 HG21 ILE A 97 29.188 -2.434 -24.756 1.00 70.35 H new ATOM 0 HG22 ILE A 97 29.241 -4.176 -25.118 1.00 70.35 H new ATOM 0 HG23 ILE A 97 27.688 -3.307 -25.152 1.00 70.35 H new ATOM 0 HD11 ILE A 97 27.758 -0.460 -22.098 1.00 42.21 H new ATOM 0 HD12 ILE A 97 29.344 -1.265 -22.143 1.00 42.21 H new ATOM 0 HD13 ILE A 97 28.466 -0.945 -23.657 1.00 42.21 H new ATOM 1555 N VAL A 98 27.827 -6.829 -24.633 1.00 42.54 N ATOM 1556 CA VAL A 98 28.466 -7.908 -25.376 1.00 70.33 C ATOM 1557 C VAL A 98 29.780 -7.446 -25.996 1.00 71.34 C ATOM 1558 O VAL A 98 29.902 -6.305 -26.442 1.00 71.11 O ATOM 1559 CB VAL A 98 27.546 -8.444 -26.489 1.00 62.44 C ATOM 1560 CG1 VAL A 98 28.258 -9.518 -27.299 1.00 54.54 C ATOM 1561 CG2 VAL A 98 26.252 -8.982 -25.898 1.00 11.33 C ATOM 0 H VAL A 98 26.851 -6.668 -24.880 1.00 42.54 H new ATOM 0 HA VAL A 98 28.666 -8.708 -24.663 1.00 70.33 H new ATOM 0 HB VAL A 98 27.298 -7.621 -27.159 1.00 62.44 H new ATOM 0 HG11 VAL A 98 27.593 -9.885 -28.081 1.00 54.54 H new ATOM 0 HG12 VAL A 98 29.154 -9.096 -27.754 1.00 54.54 H new ATOM 0 HG13 VAL A 98 28.537 -10.343 -26.643 1.00 54.54 H new ATOM 0 HG21 VAL A 98 25.614 -9.356 -26.699 1.00 11.33 H new ATOM 0 HG22 VAL A 98 26.478 -9.792 -25.205 1.00 11.33 H new ATOM 0 HG23 VAL A 98 25.735 -8.183 -25.366 1.00 11.33 H new ATOM 1571 N LYS A 99 30.762 -8.341 -26.022 1.00 41.23 N ATOM 1572 CA LYS A 99 32.068 -8.027 -26.589 1.00 63.24 C ATOM 1573 C LYS A 99 32.111 -8.364 -28.076 1.00 60.44 C ATOM 1574 O LYS A 99 32.474 -7.527 -28.903 1.00 12.44 O ATOM 1575 CB LYS A 99 33.166 -8.795 -25.850 1.00 30.33 C ATOM 1576 CG LYS A 99 34.525 -8.712 -26.522 1.00 5.31 C ATOM 1577 CD LYS A 99 35.037 -7.282 -26.569 1.00 41.32 C ATOM 1578 CE LYS A 99 36.556 -7.231 -26.518 1.00 24.42 C ATOM 1579 NZ LYS A 99 37.085 -5.924 -26.997 1.00 14.15 N ATOM 0 H LYS A 99 30.678 -9.290 -25.657 1.00 41.23 H new ATOM 0 HA LYS A 99 32.239 -6.957 -26.471 1.00 63.24 H new ATOM 0 HB2 LYS A 99 33.248 -8.407 -24.835 1.00 30.33 H new ATOM 0 HB3 LYS A 99 32.874 -9.842 -25.769 1.00 30.33 H new ATOM 0 HG2 LYS A 99 35.237 -9.337 -25.983 1.00 5.31 H new ATOM 0 HG3 LYS A 99 34.456 -9.108 -27.535 1.00 5.31 H new ATOM 0 HD2 LYS A 99 34.686 -6.799 -27.481 1.00 41.32 H new ATOM 0 HD3 LYS A 99 34.625 -6.719 -25.731 1.00 41.32 H new ATOM 0 HE2 LYS A 99 36.891 -7.405 -25.495 1.00 24.42 H new ATOM 0 HE3 LYS A 99 36.967 -8.035 -27.129 1.00 24.42 H new ATOM 0 HZ1 LYS A 99 38.124 -5.930 -26.946 1.00 14.15 H new ATOM 0 HZ2 LYS A 99 36.787 -5.769 -27.981 1.00 14.15 H new ATOM 0 HZ3 LYS A 99 36.714 -5.159 -26.398 1.00 14.15 H new