USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 801 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 91 SER OG : rot -40:sc= -1.51 USER MOD Set 1.2: A 95 THR OG1 : rot -129:sc= -0.177 USER MOD Set 1.3: A 98 SER OG : rot -156:sc= -0.189 USER MOD Set 2.1: A 19 SER OG : rot 108:sc= 1.2 USER MOD Set 2.2: A 82 TYR OH : rot 152:sc= 1.13 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -170:sc= -0.805 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0643 USER MOD Single : A 15 GLN : amide:sc= -0.0808 X(o=-0.081,f=-0.0017) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot -140:sc= -1.12 USER MOD Single : A 35 CYS SG : rot 113:sc= 1.4 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.581 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 51 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -166:sc=-0.00276 (180deg=-0.0861) USER MOD Single : A 60 ASN : amide:sc= -0.0144 K(o=-0.014,f=-7.3!) USER MOD Single : A 63 THR OG1 : rot -110:sc= -1.12 USER MOD Single : A 64 GLN : amide:sc= -5.04! C(o=-5!,f=-12!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 74 SER OG : rot 48:sc= 1.07 USER MOD Single : A 75 GLN : amide:sc= 0.199 X(o=0.2,f=0) USER MOD Single : A 76 GLN : amide:sc= -8.05 K(o=-8,f=-18!) USER MOD Single : A 77 SER OG : rot -160:sc= 0.515 USER MOD Single : A 78 THR OG1 : rot 180:sc=-0.00332 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 151:sc= 1.23 USER MOD Single : A 105 THR OG1 : rot 77:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 49 N VAL A 5 -4.832 3.762 -10.404 1.00 21.45 N ATOM 50 CA VAL A 5 -5.353 4.423 -11.594 1.00 15.15 C ATOM 51 C VAL A 5 -6.773 4.929 -11.363 1.00 41.52 C ATOM 52 O VAL A 5 -7.643 4.183 -10.916 1.00 11.41 O ATOM 53 CB VAL A 5 -5.348 3.477 -12.809 1.00 55.31 C ATOM 54 CG1 VAL A 5 -3.936 2.997 -13.106 1.00 72.31 C ATOM 55 CG2 VAL A 5 -6.282 2.300 -12.572 1.00 13.14 C ATOM 0 HA VAL A 5 -4.697 5.269 -11.800 1.00 15.15 H new ATOM 0 HB VAL A 5 -5.709 4.028 -13.678 1.00 55.31 H new ATOM 0 HG11 VAL A 5 -3.952 2.330 -13.968 1.00 72.31 H new ATOM 0 HG12 VAL A 5 -3.298 3.854 -13.323 1.00 72.31 H new ATOM 0 HG13 VAL A 5 -3.544 2.463 -12.241 1.00 72.31 H new ATOM 0 HG21 VAL A 5 -6.266 1.642 -13.441 1.00 13.14 H new ATOM 0 HG22 VAL A 5 -5.954 1.747 -11.692 1.00 13.14 H new ATOM 0 HG23 VAL A 5 -7.296 2.667 -12.413 1.00 13.14 H new ATOM 65 N GLU A 6 -6.999 6.203 -11.673 1.00 22.54 N ATOM 66 CA GLU A 6 -8.314 6.808 -11.499 1.00 3.53 C ATOM 67 C GLU A 6 -9.013 6.985 -12.843 1.00 53.42 C ATOM 68 O GLU A 6 -8.685 7.874 -13.630 1.00 72.41 O ATOM 69 CB GLU A 6 -8.187 8.161 -10.795 1.00 52.41 C ATOM 70 CG GLU A 6 -7.817 8.051 -9.326 1.00 11.04 C ATOM 71 CD GLU A 6 -8.926 7.444 -8.489 1.00 32.33 C ATOM 72 OE1 GLU A 6 -9.806 8.203 -8.030 1.00 25.54 O ATOM 73 OE2 GLU A 6 -8.915 6.211 -8.293 1.00 21.44 O ATOM 0 H GLU A 6 -6.289 6.834 -12.045 1.00 22.54 H new ATOM 0 HA GLU A 6 -8.915 6.140 -10.882 1.00 3.53 H new ATOM 0 HB2 GLU A 6 -7.432 8.758 -11.307 1.00 52.41 H new ATOM 0 HB3 GLU A 6 -9.132 8.697 -10.884 1.00 52.41 H new ATOM 0 HG2 GLU A 6 -6.918 7.443 -9.226 1.00 11.04 H new ATOM 0 HG3 GLU A 6 -7.577 9.042 -8.941 1.00 11.04 H new ATOM 80 N PRO A 7 -10.001 6.119 -13.114 1.00 51.42 N ATOM 81 CA PRO A 7 -10.768 6.159 -14.363 1.00 31.12 C ATOM 82 C PRO A 7 -11.681 7.377 -14.444 1.00 15.22 C ATOM 83 O PRO A 7 -12.813 7.350 -13.959 1.00 3.45 O ATOM 84 CB PRO A 7 -11.596 4.872 -14.311 1.00 41.44 C ATOM 85 CG PRO A 7 -11.722 4.561 -12.860 1.00 70.20 C ATOM 86 CD PRO A 7 -10.446 5.035 -12.222 1.00 43.42 C ATOM 0 HA PRO A 7 -10.121 6.231 -15.237 1.00 31.12 H new ATOM 0 HB2 PRO A 7 -12.574 5.011 -14.772 1.00 41.44 H new ATOM 0 HB3 PRO A 7 -11.103 4.062 -14.848 1.00 41.44 H new ATOM 0 HG2 PRO A 7 -12.586 5.065 -12.427 1.00 70.20 H new ATOM 0 HG3 PRO A 7 -11.864 3.492 -12.701 1.00 70.20 H new ATOM 0 HD2 PRO A 7 -10.614 5.394 -11.206 1.00 43.42 H new ATOM 0 HD3 PRO A 7 -9.707 4.236 -12.160 1.00 43.42 H new ATOM 94 N TYR A 8 -11.184 8.444 -15.060 1.00 30.31 N ATOM 95 CA TYR A 8 -11.955 9.673 -15.203 1.00 31.13 C ATOM 96 C TYR A 8 -12.532 10.113 -13.861 1.00 5.35 C ATOM 97 O TYR A 8 -13.568 9.613 -13.423 1.00 42.41 O ATOM 98 CB TYR A 8 -13.084 9.477 -16.216 1.00 34.44 C ATOM 99 CG TYR A 8 -12.985 8.182 -16.990 1.00 43.03 C ATOM 100 CD1 TYR A 8 -13.917 7.167 -16.808 1.00 44.45 C ATOM 101 CD2 TYR A 8 -11.958 7.973 -17.903 1.00 74.21 C ATOM 102 CE1 TYR A 8 -13.829 5.983 -17.514 1.00 32.45 C ATOM 103 CE2 TYR A 8 -11.864 6.792 -18.614 1.00 30.25 C ATOM 104 CZ TYR A 8 -12.802 5.800 -18.415 1.00 64.21 C ATOM 105 OH TYR A 8 -12.710 4.621 -19.120 1.00 12.41 O ATOM 0 H TYR A 8 -10.250 8.482 -15.468 1.00 30.31 H new ATOM 0 HA TYR A 8 -11.284 10.453 -15.563 1.00 31.13 H new ATOM 0 HB2 TYR A 8 -14.040 9.505 -15.692 1.00 34.44 H new ATOM 0 HB3 TYR A 8 -13.080 10.311 -16.918 1.00 34.44 H new ATOM 0 HD1 TYR A 8 -14.723 7.306 -16.103 1.00 44.45 H new ATOM 0 HD2 TYR A 8 -11.221 8.747 -18.059 1.00 74.21 H new ATOM 0 HE1 TYR A 8 -14.561 5.204 -17.361 1.00 32.45 H new ATOM 0 HE2 TYR A 8 -11.061 6.646 -19.321 1.00 30.25 H new ATOM 0 HH TYR A 8 -11.930 4.654 -19.713 1.00 12.41 H new ATOM 115 N SER A 9 -11.852 11.054 -13.212 1.00 61.30 N ATOM 116 CA SER A 9 -12.293 11.561 -11.918 1.00 32.20 C ATOM 117 C SER A 9 -11.478 12.783 -11.507 1.00 11.22 C ATOM 118 O SER A 9 -10.443 12.661 -10.851 1.00 51.05 O ATOM 119 CB SER A 9 -12.172 10.471 -10.851 1.00 75.23 C ATOM 120 OG SER A 9 -11.239 9.478 -11.240 1.00 3.22 O ATOM 0 H SER A 9 -10.994 11.480 -13.562 1.00 61.30 H new ATOM 0 HA SER A 9 -13.338 11.856 -12.009 1.00 32.20 H new ATOM 0 HB2 SER A 9 -11.861 10.916 -9.906 1.00 75.23 H new ATOM 0 HB3 SER A 9 -13.147 10.013 -10.683 1.00 75.23 H new ATOM 0 HG SER A 9 -11.294 8.718 -10.624 1.00 3.22 H new ATOM 126 N ASP A 10 -11.953 13.961 -11.897 1.00 3.03 N ATOM 127 CA ASP A 10 -11.270 15.207 -11.569 1.00 2.14 C ATOM 128 C ASP A 10 -11.044 15.323 -10.064 1.00 42.24 C ATOM 129 O ASP A 10 -10.005 15.809 -9.619 1.00 22.14 O ATOM 130 CB ASP A 10 -12.079 16.404 -12.069 1.00 53.32 C ATOM 131 CG ASP A 10 -11.231 17.393 -12.845 1.00 33.01 C ATOM 132 OD1 ASP A 10 -11.107 18.551 -12.393 1.00 62.14 O ATOM 133 OD2 ASP A 10 -10.691 17.009 -13.903 1.00 73.41 O ATOM 0 H ASP A 10 -12.808 14.079 -12.440 1.00 3.03 H new ATOM 0 HA ASP A 10 -10.299 15.202 -12.065 1.00 2.14 H new ATOM 0 HB2 ASP A 10 -12.891 16.050 -12.704 1.00 53.32 H new ATOM 0 HB3 ASP A 10 -12.536 16.910 -11.219 1.00 53.32 H new ATOM 138 N ALA A 11 -12.025 14.875 -9.288 1.00 25.15 N ATOM 139 CA ALA A 11 -11.932 14.928 -7.834 1.00 33.42 C ATOM 140 C ALA A 11 -10.753 14.104 -7.328 1.00 44.03 C ATOM 141 O ALA A 11 -10.316 14.262 -6.189 1.00 12.14 O ATOM 142 CB ALA A 11 -13.228 14.438 -7.205 1.00 13.24 C ATOM 0 H ALA A 11 -12.893 14.472 -9.641 1.00 25.15 H new ATOM 0 HA ALA A 11 -11.768 15.966 -7.543 1.00 33.42 H new ATOM 0 HB1 ALA A 11 -13.145 14.483 -6.119 1.00 13.24 H new ATOM 0 HB2 ALA A 11 -14.053 15.071 -7.532 1.00 13.24 H new ATOM 0 HB3 ALA A 11 -13.415 13.409 -7.512 1.00 13.24 H new ATOM 148 N ALA A 12 -10.241 13.224 -8.183 1.00 54.44 N ATOM 149 CA ALA A 12 -9.111 12.377 -7.823 1.00 74.04 C ATOM 150 C ALA A 12 -7.787 13.068 -8.132 1.00 32.54 C ATOM 151 O ALA A 12 -6.795 12.872 -7.429 1.00 14.22 O ATOM 152 CB ALA A 12 -9.197 11.045 -8.554 1.00 22.02 C ATOM 0 H ALA A 12 -10.591 13.079 -9.130 1.00 54.44 H new ATOM 0 HA ALA A 12 -9.153 12.193 -6.749 1.00 74.04 H new ATOM 0 HB1 ALA A 12 -8.347 10.422 -8.276 1.00 22.02 H new ATOM 0 HB2 ALA A 12 -10.123 10.539 -8.280 1.00 22.02 H new ATOM 0 HB3 ALA A 12 -9.183 11.219 -9.630 1.00 22.02 H new ATOM 158 N PHE A 13 -7.778 13.875 -9.187 1.00 0.11 N ATOM 159 CA PHE A 13 -6.574 14.594 -9.589 1.00 75.42 C ATOM 160 C PHE A 13 -5.910 15.257 -8.387 1.00 3.33 C ATOM 161 O PHE A 13 -4.684 15.343 -8.309 1.00 4.33 O ATOM 162 CB PHE A 13 -6.913 15.648 -10.645 1.00 72.22 C ATOM 163 CG PHE A 13 -5.729 16.463 -11.080 1.00 10.34 C ATOM 164 CD1 PHE A 13 -4.521 15.852 -11.373 1.00 43.45 C ATOM 165 CD2 PHE A 13 -5.824 17.841 -11.193 1.00 72.14 C ATOM 166 CE1 PHE A 13 -3.429 16.600 -11.774 1.00 31.21 C ATOM 167 CE2 PHE A 13 -4.736 18.593 -11.594 1.00 12.43 C ATOM 168 CZ PHE A 13 -3.537 17.972 -11.883 1.00 41.31 C ATOM 0 H PHE A 13 -8.590 14.048 -9.779 1.00 0.11 H new ATOM 0 HA PHE A 13 -5.876 13.874 -10.016 1.00 75.42 H new ATOM 0 HB2 PHE A 13 -7.343 15.153 -11.516 1.00 72.22 H new ATOM 0 HB3 PHE A 13 -7.678 16.316 -10.248 1.00 72.22 H new ATOM 0 HD1 PHE A 13 -4.431 14.779 -11.287 1.00 43.45 H new ATOM 0 HD2 PHE A 13 -6.758 18.333 -10.965 1.00 72.14 H new ATOM 0 HE1 PHE A 13 -2.493 16.111 -12.002 1.00 31.21 H new ATOM 0 HE2 PHE A 13 -4.824 19.666 -11.681 1.00 12.43 H new ATOM 0 HZ PHE A 13 -2.685 18.559 -12.194 1.00 41.31 H new ATOM 178 N THR A 14 -6.728 15.727 -7.450 1.00 20.52 N ATOM 179 CA THR A 14 -6.221 16.384 -6.252 1.00 52.10 C ATOM 180 C THR A 14 -5.865 15.366 -5.175 1.00 3.01 C ATOM 181 O THR A 14 -4.743 15.351 -4.670 1.00 45.21 O ATOM 182 CB THR A 14 -7.248 17.380 -5.681 1.00 41.40 C ATOM 183 OG1 THR A 14 -8.573 16.990 -6.059 1.00 65.53 O ATOM 184 CG2 THR A 14 -6.968 18.790 -6.179 1.00 12.54 C ATOM 0 H THR A 14 -7.745 15.665 -7.498 1.00 20.52 H new ATOM 0 HA THR A 14 -5.323 16.927 -6.546 1.00 52.10 H new ATOM 0 HB THR A 14 -7.164 17.371 -4.594 1.00 41.40 H new ATOM 0 HG1 THR A 14 -9.219 17.628 -5.690 1.00 65.53 H new ATOM 0 HG21 THR A 14 -7.706 19.476 -5.763 1.00 12.54 H new ATOM 0 HG22 THR A 14 -5.970 19.096 -5.864 1.00 12.54 H new ATOM 0 HG23 THR A 14 -7.027 18.810 -7.267 1.00 12.54 H new ATOM 192 N GLN A 15 -6.826 14.517 -4.829 1.00 35.54 N ATOM 193 CA GLN A 15 -6.612 13.495 -3.811 1.00 34.33 C ATOM 194 C GLN A 15 -5.357 12.683 -4.110 1.00 63.42 C ATOM 195 O GLN A 15 -4.701 12.177 -3.200 1.00 30.11 O ATOM 196 CB GLN A 15 -7.826 12.567 -3.726 1.00 2.21 C ATOM 197 CG GLN A 15 -9.146 13.305 -3.573 1.00 51.14 C ATOM 198 CD GLN A 15 -9.810 13.044 -2.236 1.00 23.43 C ATOM 199 OE1 GLN A 15 -10.993 12.711 -2.172 1.00 35.45 O ATOM 200 NE2 GLN A 15 -9.049 13.193 -1.158 1.00 2.12 N ATOM 0 H GLN A 15 -7.760 14.516 -5.238 1.00 35.54 H new ATOM 0 HA GLN A 15 -6.479 13.996 -2.852 1.00 34.33 H new ATOM 0 HB2 GLN A 15 -7.866 11.951 -4.624 1.00 2.21 H new ATOM 0 HB3 GLN A 15 -7.697 11.891 -2.881 1.00 2.21 H new ATOM 0 HG2 GLN A 15 -8.974 14.375 -3.686 1.00 51.14 H new ATOM 0 HG3 GLN A 15 -9.821 13.004 -4.374 1.00 51.14 H new ATOM 0 HE21 GLN A 15 -8.073 13.471 -1.257 1.00 2.12 H new ATOM 0 HE22 GLN A 15 -9.441 13.030 -0.231 1.00 2.12 H new ATOM 209 N ALA A 16 -5.028 12.562 -5.392 1.00 70.42 N ATOM 210 CA ALA A 16 -3.850 11.812 -5.811 1.00 51.45 C ATOM 211 C ALA A 16 -2.569 12.563 -5.464 1.00 53.50 C ATOM 212 O ALA A 16 -1.554 11.954 -5.128 1.00 52.31 O ATOM 213 CB ALA A 16 -3.909 11.529 -7.305 1.00 72.51 C ATOM 0 H ALA A 16 -5.561 12.974 -6.158 1.00 70.42 H new ATOM 0 HA ALA A 16 -3.842 10.865 -5.272 1.00 51.45 H new ATOM 0 HB1 ALA A 16 -3.023 10.968 -7.604 1.00 72.51 H new ATOM 0 HB2 ALA A 16 -4.801 10.945 -7.530 1.00 72.51 H new ATOM 0 HB3 ALA A 16 -3.945 12.471 -7.853 1.00 72.51 H new ATOM 219 N GLN A 17 -2.625 13.889 -5.548 1.00 63.20 N ATOM 220 CA GLN A 17 -1.468 14.722 -5.244 1.00 5.05 C ATOM 221 C GLN A 17 -1.308 14.903 -3.738 1.00 20.34 C ATOM 222 O GLN A 17 -0.231 15.250 -3.255 1.00 44.51 O ATOM 223 CB GLN A 17 -1.603 16.087 -5.921 1.00 64.44 C ATOM 224 CG GLN A 17 -0.582 17.107 -5.444 1.00 31.04 C ATOM 225 CD GLN A 17 -0.749 18.457 -6.113 1.00 70.10 C ATOM 226 OE1 GLN A 17 -1.744 18.706 -6.794 1.00 51.12 O ATOM 227 NE2 GLN A 17 0.227 19.337 -5.922 1.00 54.33 N ATOM 0 H GLN A 17 -3.458 14.408 -5.824 1.00 63.20 H new ATOM 0 HA GLN A 17 -0.580 14.220 -5.628 1.00 5.05 H new ATOM 0 HB2 GLN A 17 -1.501 15.960 -6.999 1.00 64.44 H new ATOM 0 HB3 GLN A 17 -2.605 16.476 -5.739 1.00 64.44 H new ATOM 0 HG2 GLN A 17 -0.671 17.227 -4.364 1.00 31.04 H new ATOM 0 HG3 GLN A 17 0.422 16.730 -5.641 1.00 31.04 H new ATOM 0 HE21 GLN A 17 1.034 19.088 -5.350 1.00 54.33 H new ATOM 0 HE22 GLN A 17 0.170 20.262 -6.348 1.00 54.33 H new ATOM 236 N ALA A 18 -2.388 14.664 -3.000 1.00 42.53 N ATOM 237 CA ALA A 18 -2.367 14.799 -1.549 1.00 41.31 C ATOM 238 C ALA A 18 -1.823 13.537 -0.888 1.00 40.33 C ATOM 239 O ALA A 18 -1.873 13.394 0.333 1.00 21.13 O ATOM 240 CB ALA A 18 -3.762 15.111 -1.028 1.00 1.11 C ATOM 0 H ALA A 18 -3.288 14.376 -3.384 1.00 42.53 H new ATOM 0 HA ALA A 18 -1.703 15.625 -1.295 1.00 41.31 H new ATOM 0 HB1 ALA A 18 -3.732 15.209 0.057 1.00 1.11 H new ATOM 0 HB2 ALA A 18 -4.114 16.044 -1.467 1.00 1.11 H new ATOM 0 HB3 ALA A 18 -4.441 14.303 -1.300 1.00 1.11 H new ATOM 246 N SER A 19 -1.304 12.624 -1.703 1.00 55.44 N ATOM 247 CA SER A 19 -0.755 11.372 -1.198 1.00 33.22 C ATOM 248 C SER A 19 0.749 11.490 -0.971 1.00 13.54 C ATOM 249 O SER A 19 1.260 11.118 0.085 1.00 52.42 O ATOM 250 CB SER A 19 -1.046 10.231 -2.175 1.00 54.31 C ATOM 251 OG SER A 19 -2.186 10.517 -2.967 1.00 40.24 O ATOM 0 H SER A 19 -1.252 12.729 -2.716 1.00 55.44 H new ATOM 0 HA SER A 19 -1.233 11.154 -0.243 1.00 33.22 H new ATOM 0 HB2 SER A 19 -0.182 10.071 -2.820 1.00 54.31 H new ATOM 0 HB3 SER A 19 -1.206 9.306 -1.621 1.00 54.31 H new ATOM 0 HG SER A 19 -1.905 10.720 -3.884 1.00 40.24 H new ATOM 257 N GLY A 20 1.453 12.012 -1.971 1.00 13.44 N ATOM 258 CA GLY A 20 2.891 12.171 -1.862 1.00 1.35 C ATOM 259 C GLY A 20 3.651 11.160 -2.697 1.00 1.22 C ATOM 260 O GLY A 20 4.881 11.171 -2.729 1.00 22.33 O ATOM 0 H GLY A 20 1.053 12.328 -2.855 1.00 13.44 H new ATOM 0 HA2 GLY A 20 3.167 13.178 -2.176 1.00 1.35 H new ATOM 0 HA3 GLY A 20 3.186 12.071 -0.818 1.00 1.35 H new ATOM 264 N ALA A 21 2.917 10.283 -3.374 1.00 22.14 N ATOM 265 CA ALA A 21 3.530 9.261 -4.213 1.00 72.21 C ATOM 266 C ALA A 21 3.526 9.680 -5.679 1.00 61.13 C ATOM 267 O ALA A 21 2.844 10.624 -6.078 1.00 71.14 O ATOM 268 CB ALA A 21 2.807 7.933 -4.040 1.00 24.01 C ATOM 0 H ALA A 21 1.897 10.260 -3.358 1.00 22.14 H new ATOM 0 HA ALA A 21 4.567 9.142 -3.899 1.00 72.21 H new ATOM 0 HB1 ALA A 21 3.275 7.179 -4.672 1.00 24.01 H new ATOM 0 HB2 ALA A 21 2.866 7.620 -2.998 1.00 24.01 H new ATOM 0 HB3 ALA A 21 1.761 8.048 -4.326 1.00 24.01 H new ATOM 274 N PRO A 22 4.306 8.963 -6.502 1.00 41.43 N ATOM 275 CA PRO A 22 4.410 9.243 -7.937 1.00 40.25 C ATOM 276 C PRO A 22 3.130 8.896 -8.690 1.00 12.32 C ATOM 277 O PRO A 22 2.733 7.733 -8.756 1.00 73.03 O ATOM 278 CB PRO A 22 5.559 8.340 -8.393 1.00 1.14 C ATOM 279 CG PRO A 22 5.579 7.225 -7.405 1.00 11.34 C ATOM 280 CD PRO A 22 5.146 7.825 -6.095 1.00 64.32 C ATOM 0 HA PRO A 22 4.578 10.302 -8.134 1.00 40.25 H new ATOM 0 HB2 PRO A 22 5.394 7.970 -9.405 1.00 1.14 H new ATOM 0 HB3 PRO A 22 6.507 8.879 -8.401 1.00 1.14 H new ATOM 0 HG2 PRO A 22 4.906 6.423 -7.708 1.00 11.34 H new ATOM 0 HG3 PRO A 22 6.576 6.792 -7.325 1.00 11.34 H new ATOM 0 HD2 PRO A 22 4.588 7.110 -5.490 1.00 64.32 H new ATOM 0 HD3 PRO A 22 6.000 8.148 -5.499 1.00 64.32 H new ATOM 288 N VAL A 23 2.488 9.913 -9.256 1.00 54.21 N ATOM 289 CA VAL A 23 1.253 9.715 -10.005 1.00 53.35 C ATOM 290 C VAL A 23 1.250 10.540 -11.288 1.00 13.35 C ATOM 291 O VAL A 23 1.409 11.761 -11.254 1.00 11.24 O ATOM 292 CB VAL A 23 0.019 10.091 -9.163 1.00 71.24 C ATOM 293 CG1 VAL A 23 -1.248 9.996 -10.000 1.00 42.33 C ATOM 294 CG2 VAL A 23 -0.077 9.201 -7.934 1.00 32.25 C ATOM 0 H VAL A 23 2.803 10.882 -9.210 1.00 54.21 H new ATOM 0 HA VAL A 23 1.202 8.656 -10.257 1.00 53.35 H new ATOM 0 HB VAL A 23 0.129 11.123 -8.829 1.00 71.24 H new ATOM 0 HG11 VAL A 23 -2.109 10.265 -9.388 1.00 42.33 H new ATOM 0 HG12 VAL A 23 -1.177 10.679 -10.847 1.00 42.33 H new ATOM 0 HG13 VAL A 23 -1.367 8.976 -10.365 1.00 42.33 H new ATOM 0 HG21 VAL A 23 -0.954 9.480 -7.350 1.00 32.25 H new ATOM 0 HG22 VAL A 23 -0.164 8.160 -8.245 1.00 32.25 H new ATOM 0 HG23 VAL A 23 0.818 9.324 -7.325 1.00 32.25 H new ATOM 304 N LEU A 24 1.067 9.866 -12.418 1.00 0.34 N ATOM 305 CA LEU A 24 1.042 10.537 -13.713 1.00 23.11 C ATOM 306 C LEU A 24 -0.390 10.714 -14.207 1.00 63.44 C ATOM 307 O LEU A 24 -1.271 9.916 -13.888 1.00 60.50 O ATOM 308 CB LEU A 24 1.853 9.741 -14.737 1.00 60.30 C ATOM 309 CG LEU A 24 1.607 10.089 -16.205 1.00 51.24 C ATOM 310 CD1 LEU A 24 2.874 9.888 -17.022 1.00 22.45 C ATOM 311 CD2 LEU A 24 0.468 9.251 -16.769 1.00 5.22 C ATOM 0 H LEU A 24 0.934 8.856 -12.464 1.00 0.34 H new ATOM 0 HA LEU A 24 1.489 11.524 -13.592 1.00 23.11 H new ATOM 0 HB2 LEU A 24 2.912 9.885 -14.523 1.00 60.30 H new ATOM 0 HB3 LEU A 24 1.640 8.681 -14.595 1.00 60.30 H new ATOM 0 HG LEU A 24 1.323 11.140 -16.266 1.00 51.24 H new ATOM 0 HD11 LEU A 24 2.679 10.141 -18.064 1.00 22.45 H new ATOM 0 HD12 LEU A 24 3.663 10.532 -16.634 1.00 22.45 H new ATOM 0 HD13 LEU A 24 3.189 8.847 -16.954 1.00 22.45 H new ATOM 0 HD21 LEU A 24 0.307 9.512 -17.815 1.00 5.22 H new ATOM 0 HD22 LEU A 24 0.723 8.194 -16.694 1.00 5.22 H new ATOM 0 HD23 LEU A 24 -0.442 9.446 -16.202 1.00 5.22 H new ATOM 323 N VAL A 25 -0.615 11.764 -14.991 1.00 24.23 N ATOM 324 CA VAL A 25 -1.939 12.044 -15.533 1.00 22.23 C ATOM 325 C VAL A 25 -1.935 11.975 -17.056 1.00 11.43 C ATOM 326 O VAL A 25 -1.046 12.521 -17.710 1.00 12.34 O ATOM 327 CB VAL A 25 -2.443 13.431 -15.093 1.00 53.13 C ATOM 328 CG1 VAL A 25 -3.909 13.608 -15.461 1.00 64.13 C ATOM 329 CG2 VAL A 25 -2.233 13.625 -13.599 1.00 52.32 C ATOM 0 H VAL A 25 0.103 12.435 -15.265 1.00 24.23 H new ATOM 0 HA VAL A 25 -2.611 11.281 -15.140 1.00 22.23 H new ATOM 0 HB VAL A 25 -1.866 14.192 -15.619 1.00 53.13 H new ATOM 0 HG11 VAL A 25 -4.248 14.594 -15.142 1.00 64.13 H new ATOM 0 HG12 VAL A 25 -4.027 13.515 -16.541 1.00 64.13 H new ATOM 0 HG13 VAL A 25 -4.504 12.842 -14.964 1.00 64.13 H new ATOM 0 HG21 VAL A 25 -2.595 14.610 -13.306 1.00 52.32 H new ATOM 0 HG22 VAL A 25 -2.782 12.859 -13.052 1.00 52.32 H new ATOM 0 HG23 VAL A 25 -1.171 13.545 -13.367 1.00 52.32 H new ATOM 339 N ASP A 26 -2.935 11.302 -17.614 1.00 45.05 N ATOM 340 CA ASP A 26 -3.048 11.163 -19.062 1.00 11.23 C ATOM 341 C ASP A 26 -4.511 11.167 -19.495 1.00 22.42 C ATOM 342 O ASP A 26 -5.287 10.294 -19.105 1.00 64.21 O ATOM 343 CB ASP A 26 -2.369 9.874 -19.527 1.00 4.23 C ATOM 344 CG ASP A 26 -1.464 10.096 -20.723 1.00 72.51 C ATOM 345 OD1 ASP A 26 -1.760 11.000 -21.532 1.00 55.00 O ATOM 346 OD2 ASP A 26 -0.460 9.365 -20.850 1.00 63.12 O ATOM 0 H ASP A 26 -3.679 10.844 -17.087 1.00 45.05 H new ATOM 0 HA ASP A 26 -2.548 12.014 -19.524 1.00 11.23 H new ATOM 0 HB2 ASP A 26 -1.786 9.457 -18.706 1.00 4.23 H new ATOM 0 HB3 ASP A 26 -3.131 9.137 -19.783 1.00 4.23 H new ATOM 351 N VAL A 27 -4.881 12.155 -20.303 1.00 12.13 N ATOM 352 CA VAL A 27 -6.251 12.273 -20.789 1.00 23.40 C ATOM 353 C VAL A 27 -6.434 11.522 -22.103 1.00 64.31 C ATOM 354 O VAL A 27 -5.635 11.666 -23.029 1.00 23.32 O ATOM 355 CB VAL A 27 -6.649 13.746 -20.993 1.00 15.33 C ATOM 356 CG1 VAL A 27 -8.163 13.887 -21.050 1.00 0.11 C ATOM 357 CG2 VAL A 27 -6.066 14.613 -19.887 1.00 55.31 C ATOM 0 H VAL A 27 -4.251 12.886 -20.635 1.00 12.13 H new ATOM 0 HA VAL A 27 -6.896 11.832 -20.029 1.00 23.40 H new ATOM 0 HB VAL A 27 -6.240 14.087 -21.944 1.00 15.33 H new ATOM 0 HG11 VAL A 27 -8.426 14.935 -21.195 1.00 0.11 H new ATOM 0 HG12 VAL A 27 -8.552 13.297 -21.880 1.00 0.11 H new ATOM 0 HG13 VAL A 27 -8.597 13.530 -20.116 1.00 0.11 H new ATOM 0 HG21 VAL A 27 -6.357 15.651 -20.047 1.00 55.31 H new ATOM 0 HG22 VAL A 27 -6.444 14.275 -18.922 1.00 55.31 H new ATOM 0 HG23 VAL A 27 -4.979 14.535 -19.899 1.00 55.31 H new ATOM 367 N TYR A 28 -7.490 10.720 -22.178 1.00 13.41 N ATOM 368 CA TYR A 28 -7.778 9.945 -23.379 1.00 22.45 C ATOM 369 C TYR A 28 -9.193 10.218 -23.878 1.00 41.43 C ATOM 370 O TYR A 28 -10.088 10.539 -23.097 1.00 40.10 O ATOM 371 CB TYR A 28 -7.604 8.451 -23.100 1.00 24.34 C ATOM 372 CG TYR A 28 -6.165 7.988 -23.157 1.00 34.32 C ATOM 373 CD1 TYR A 28 -5.766 7.009 -24.058 1.00 63.23 C ATOM 374 CD2 TYR A 28 -5.206 8.528 -22.309 1.00 15.10 C ATOM 375 CE1 TYR A 28 -4.453 6.582 -24.114 1.00 21.02 C ATOM 376 CE2 TYR A 28 -3.891 8.109 -22.359 1.00 33.55 C ATOM 377 CZ TYR A 28 -3.519 7.135 -23.262 1.00 55.23 C ATOM 378 OH TYR A 28 -2.211 6.713 -23.314 1.00 4.53 O ATOM 0 H TYR A 28 -8.161 10.589 -21.421 1.00 13.41 H new ATOM 0 HA TYR A 28 -7.074 10.249 -24.154 1.00 22.45 H new ATOM 0 HB2 TYR A 28 -8.011 8.224 -22.115 1.00 24.34 H new ATOM 0 HB3 TYR A 28 -8.188 7.884 -23.825 1.00 24.34 H new ATOM 0 HD1 TYR A 28 -6.494 6.574 -24.726 1.00 63.23 H new ATOM 0 HD2 TYR A 28 -5.494 9.289 -21.598 1.00 15.10 H new ATOM 0 HE1 TYR A 28 -4.159 5.820 -24.821 1.00 21.02 H new ATOM 0 HE2 TYR A 28 -3.158 8.542 -21.695 1.00 33.55 H new ATOM 0 HH TYR A 28 -1.683 7.203 -22.650 1.00 4.53 H new ATOM 388 N ALA A 29 -9.387 10.089 -25.187 1.00 23.33 N ATOM 389 CA ALA A 29 -10.692 10.319 -25.792 1.00 55.11 C ATOM 390 C ALA A 29 -11.092 9.157 -26.695 1.00 63.01 C ATOM 391 O ALA A 29 -10.302 8.242 -26.931 1.00 52.33 O ATOM 392 CB ALA A 29 -10.688 11.622 -26.577 1.00 43.51 C ATOM 0 H ALA A 29 -8.656 9.826 -25.848 1.00 23.33 H new ATOM 0 HA ALA A 29 -11.428 10.392 -24.991 1.00 55.11 H new ATOM 0 HB1 ALA A 29 -11.670 11.781 -27.024 1.00 43.51 H new ATOM 0 HB2 ALA A 29 -10.456 12.450 -25.907 1.00 43.51 H new ATOM 0 HB3 ALA A 29 -9.936 11.570 -27.364 1.00 43.51 H new ATOM 398 N ASP A 30 -12.321 9.199 -27.196 1.00 72.24 N ATOM 399 CA ASP A 30 -12.825 8.149 -28.074 1.00 72.11 C ATOM 400 C ASP A 30 -11.829 7.848 -29.189 1.00 43.13 C ATOM 401 O ASP A 30 -11.667 6.698 -29.597 1.00 32.10 O ATOM 402 CB ASP A 30 -14.172 8.558 -28.673 1.00 23.00 C ATOM 403 CG ASP A 30 -15.337 8.218 -27.765 1.00 22.44 C ATOM 404 OD1 ASP A 30 -16.491 8.498 -28.150 1.00 14.15 O ATOM 405 OD2 ASP A 30 -15.094 7.670 -26.669 1.00 70.11 O ATOM 0 H ASP A 30 -12.987 9.949 -27.009 1.00 72.24 H new ATOM 0 HA ASP A 30 -12.960 7.246 -27.479 1.00 72.11 H new ATOM 0 HB2 ASP A 30 -14.169 9.630 -28.869 1.00 23.00 H new ATOM 0 HB3 ASP A 30 -14.306 8.059 -29.633 1.00 23.00 H new ATOM 410 N TRP A 31 -11.165 8.889 -29.679 1.00 24.15 N ATOM 411 CA TRP A 31 -10.185 8.736 -30.748 1.00 24.01 C ATOM 412 C TRP A 31 -9.622 10.089 -31.169 1.00 12.35 C ATOM 413 O TRP A 31 -9.647 10.443 -32.348 1.00 73.41 O ATOM 414 CB TRP A 31 -10.818 8.037 -31.952 1.00 21.53 C ATOM 415 CG TRP A 31 -12.178 8.562 -32.296 1.00 54.43 C ATOM 416 CD1 TRP A 31 -12.594 9.862 -32.238 1.00 3.13 C ATOM 417 CD2 TRP A 31 -13.302 7.800 -32.751 1.00 0.23 C ATOM 418 NE1 TRP A 31 -13.908 9.954 -32.628 1.00 61.24 N ATOM 419 CE2 TRP A 31 -14.365 8.703 -32.949 1.00 30.10 C ATOM 420 CE3 TRP A 31 -13.513 6.444 -33.011 1.00 70.35 C ATOM 421 CZ2 TRP A 31 -15.618 8.291 -33.394 1.00 72.51 C ATOM 422 CZ3 TRP A 31 -14.757 6.036 -33.453 1.00 34.11 C ATOM 423 CH2 TRP A 31 -15.797 6.957 -33.641 1.00 62.44 C ATOM 0 H TRP A 31 -11.287 9.848 -29.353 1.00 24.15 H new ATOM 0 HA TRP A 31 -9.366 8.124 -30.370 1.00 24.01 H new ATOM 0 HB2 TRP A 31 -10.163 8.152 -32.816 1.00 21.53 H new ATOM 0 HB3 TRP A 31 -10.890 6.969 -31.747 1.00 21.53 H new ATOM 0 HD1 TRP A 31 -11.980 10.695 -31.931 1.00 3.13 H new ATOM 0 HE1 TRP A 31 -14.455 10.814 -32.672 1.00 61.24 H new ATOM 0 HE3 TRP A 31 -12.718 5.727 -32.869 1.00 70.35 H new ATOM 0 HZ2 TRP A 31 -16.420 8.999 -33.539 1.00 72.51 H new ATOM 0 HZ3 TRP A 31 -14.931 4.990 -33.657 1.00 34.11 H new ATOM 0 HH2 TRP A 31 -16.758 6.607 -33.987 1.00 62.44 H new ATOM 434 N CYS A 32 -9.116 10.842 -30.198 1.00 64.13 N ATOM 435 CA CYS A 32 -8.547 12.158 -30.469 1.00 32.41 C ATOM 436 C CYS A 32 -7.298 12.042 -31.337 1.00 14.31 C ATOM 437 O CYS A 32 -6.711 10.970 -31.483 1.00 51.14 O ATOM 438 CB CYS A 32 -8.208 12.869 -29.158 1.00 51.13 C ATOM 439 SG CYS A 32 -9.417 14.120 -28.663 1.00 64.41 S ATOM 0 H CYS A 32 -9.088 10.564 -29.217 1.00 64.13 H new ATOM 0 HA CYS A 32 -9.290 12.744 -31.010 1.00 32.41 H new ATOM 0 HB2 CYS A 32 -8.125 12.126 -28.365 1.00 51.13 H new ATOM 0 HB3 CYS A 32 -7.231 13.342 -29.256 1.00 51.13 H new ATOM 0 HG CYS A 32 -8.797 15.154 -28.176 1.00 64.41 H new ATOM 445 N PRO A 33 -6.882 13.172 -31.929 1.00 33.15 N ATOM 446 CA PRO A 33 -5.700 13.223 -32.793 1.00 42.34 C ATOM 447 C PRO A 33 -4.403 13.038 -32.014 1.00 4.05 C ATOM 448 O PRO A 33 -3.400 12.576 -32.558 1.00 44.40 O ATOM 449 CB PRO A 33 -5.764 14.628 -33.399 1.00 21.23 C ATOM 450 CG PRO A 33 -6.538 15.431 -32.411 1.00 5.00 C ATOM 451 CD PRO A 33 -7.534 14.486 -31.798 1.00 62.02 C ATOM 0 HA PRO A 33 -5.702 12.423 -33.534 1.00 42.34 H new ATOM 0 HB2 PRO A 33 -4.766 15.040 -33.550 1.00 21.23 H new ATOM 0 HB3 PRO A 33 -6.255 14.618 -34.372 1.00 21.23 H new ATOM 0 HG2 PRO A 33 -5.881 15.852 -31.650 1.00 5.00 H new ATOM 0 HG3 PRO A 33 -7.041 16.267 -32.896 1.00 5.00 H new ATOM 0 HD2 PRO A 33 -7.734 14.733 -30.755 1.00 62.02 H new ATOM 0 HD3 PRO A 33 -8.490 14.514 -32.321 1.00 62.02 H new ATOM 459 N VAL A 34 -4.429 13.400 -30.735 1.00 13.41 N ATOM 460 CA VAL A 34 -3.256 13.273 -29.879 1.00 64.54 C ATOM 461 C VAL A 34 -3.099 11.844 -29.372 1.00 25.41 C ATOM 462 O VAL A 34 -2.018 11.258 -29.459 1.00 14.20 O ATOM 463 CB VAL A 34 -3.333 14.228 -28.674 1.00 2.21 C ATOM 464 CG1 VAL A 34 -1.950 14.452 -28.080 1.00 54.03 C ATOM 465 CG2 VAL A 34 -3.967 15.549 -29.082 1.00 13.33 C ATOM 0 H VAL A 34 -5.251 13.784 -30.269 1.00 13.41 H new ATOM 0 HA VAL A 34 -2.391 13.538 -30.487 1.00 64.54 H new ATOM 0 HB VAL A 34 -3.960 13.770 -27.909 1.00 2.21 H new ATOM 0 HG11 VAL A 34 -2.025 15.130 -27.229 1.00 54.03 H new ATOM 0 HG12 VAL A 34 -1.537 13.499 -27.749 1.00 54.03 H new ATOM 0 HG13 VAL A 34 -1.296 14.888 -28.835 1.00 54.03 H new ATOM 0 HG21 VAL A 34 -4.014 16.212 -28.218 1.00 13.33 H new ATOM 0 HG22 VAL A 34 -3.367 16.014 -29.865 1.00 13.33 H new ATOM 0 HG23 VAL A 34 -4.975 15.369 -29.456 1.00 13.33 H new ATOM 475 N CYS A 35 -4.182 11.287 -28.842 1.00 54.45 N ATOM 476 CA CYS A 35 -4.165 9.926 -28.320 1.00 75.41 C ATOM 477 C CYS A 35 -4.033 8.911 -29.451 1.00 63.01 C ATOM 478 O CYS A 35 -3.423 7.854 -29.284 1.00 14.31 O ATOM 479 CB CYS A 35 -5.438 9.649 -27.518 1.00 4.25 C ATOM 480 SG CYS A 35 -5.808 7.892 -27.302 1.00 43.55 S ATOM 0 H CYS A 35 -5.083 11.758 -28.763 1.00 54.45 H new ATOM 0 HA CYS A 35 -3.301 9.827 -27.663 1.00 75.41 H new ATOM 0 HB2 CYS A 35 -5.344 10.113 -26.536 1.00 4.25 H new ATOM 0 HB3 CYS A 35 -6.280 10.128 -28.017 1.00 4.25 H new ATOM 0 HG CYS A 35 -5.676 7.571 -26.049 1.00 43.55 H new ATOM 486 N LYS A 36 -4.608 9.238 -30.603 1.00 54.20 N ATOM 487 CA LYS A 36 -4.556 8.356 -31.763 1.00 43.40 C ATOM 488 C LYS A 36 -3.177 8.396 -32.414 1.00 62.31 C ATOM 489 O LYS A 36 -2.708 7.395 -32.957 1.00 41.44 O ATOM 490 CB LYS A 36 -5.624 8.757 -32.783 1.00 34.43 C ATOM 491 CG LYS A 36 -5.726 7.805 -33.962 1.00 52.23 C ATOM 492 CD LYS A 36 -6.262 8.506 -35.199 1.00 54.03 C ATOM 493 CE LYS A 36 -5.435 8.172 -36.431 1.00 54.34 C ATOM 494 NZ LYS A 36 -4.468 9.256 -36.760 1.00 71.33 N ATOM 0 H LYS A 36 -5.116 10.109 -30.759 1.00 54.20 H new ATOM 0 HA LYS A 36 -4.750 7.338 -31.424 1.00 43.40 H new ATOM 0 HB2 LYS A 36 -6.591 8.808 -32.283 1.00 34.43 H new ATOM 0 HB3 LYS A 36 -5.403 9.758 -33.153 1.00 34.43 H new ATOM 0 HG2 LYS A 36 -4.744 7.385 -34.178 1.00 52.23 H new ATOM 0 HG3 LYS A 36 -6.379 6.972 -33.703 1.00 52.23 H new ATOM 0 HD2 LYS A 36 -7.299 8.212 -35.365 1.00 54.03 H new ATOM 0 HD3 LYS A 36 -6.258 9.584 -35.038 1.00 54.03 H new ATOM 0 HE2 LYS A 36 -4.894 7.241 -36.264 1.00 54.34 H new ATOM 0 HE3 LYS A 36 -6.098 8.007 -37.280 1.00 54.34 H new ATOM 0 HZ1 LYS A 36 -3.923 8.991 -37.605 1.00 71.33 H new ATOM 0 HZ2 LYS A 36 -4.986 10.139 -36.945 1.00 71.33 H new ATOM 0 HZ3 LYS A 36 -3.819 9.396 -35.960 1.00 71.33 H new ATOM 508 N ARG A 37 -2.532 9.556 -32.354 1.00 40.32 N ATOM 509 CA ARG A 37 -1.207 9.725 -32.938 1.00 23.12 C ATOM 510 C ARG A 37 -0.120 9.333 -31.941 1.00 62.32 C ATOM 511 O ARG A 37 1.003 9.012 -32.329 1.00 24.14 O ATOM 512 CB ARG A 37 -1.004 11.174 -33.386 1.00 20.51 C ATOM 513 CG ARG A 37 0.268 11.390 -34.190 1.00 14.11 C ATOM 514 CD ARG A 37 0.117 12.543 -35.170 1.00 63.01 C ATOM 515 NE ARG A 37 -0.861 12.250 -36.214 1.00 63.43 N ATOM 516 CZ ARG A 37 -0.945 12.927 -37.354 1.00 3.22 C ATOM 517 NH1 ARG A 37 -0.113 13.931 -37.595 1.00 12.44 N ATOM 518 NH2 ARG A 37 -1.862 12.600 -38.255 1.00 43.24 N ATOM 0 H ARG A 37 -2.906 10.393 -31.907 1.00 40.32 H new ATOM 0 HA ARG A 37 -1.134 9.070 -33.806 1.00 23.12 H new ATOM 0 HB2 ARG A 37 -1.860 11.483 -33.986 1.00 20.51 H new ATOM 0 HB3 ARG A 37 -0.982 11.818 -32.507 1.00 20.51 H new ATOM 0 HG2 ARG A 37 1.098 11.592 -33.513 1.00 14.11 H new ATOM 0 HG3 ARG A 37 0.515 10.478 -34.734 1.00 14.11 H new ATOM 0 HD2 ARG A 37 -0.187 13.440 -34.630 1.00 63.01 H new ATOM 0 HD3 ARG A 37 1.082 12.758 -35.628 1.00 63.01 H new ATOM 0 HE ARG A 37 -1.516 11.483 -36.059 1.00 63.43 H new ATOM 0 HH11 ARG A 37 0.593 14.185 -36.904 1.00 12.44 H new ATOM 0 HH12 ARG A 37 -0.179 14.449 -38.471 1.00 12.44 H new ATOM 0 HH21 ARG A 37 -2.503 11.828 -38.073 1.00 43.24 H new ATOM 0 HH22 ARG A 37 -1.926 13.120 -39.130 1.00 43.24 H new ATOM 532 N GLN A 38 -0.463 9.362 -30.658 1.00 21.35 N ATOM 533 CA GLN A 38 0.484 9.010 -29.606 1.00 43.41 C ATOM 534 C GLN A 38 0.545 7.499 -29.411 1.00 45.02 C ATOM 535 O GLN A 38 1.527 6.971 -28.891 1.00 22.33 O ATOM 536 CB GLN A 38 0.096 9.691 -28.292 1.00 74.42 C ATOM 537 CG GLN A 38 1.009 9.336 -27.130 1.00 44.32 C ATOM 538 CD GLN A 38 0.698 10.134 -25.879 1.00 23.30 C ATOM 539 OE1 GLN A 38 -0.151 9.745 -25.076 1.00 63.02 O ATOM 540 NE2 GLN A 38 1.386 11.257 -25.706 1.00 72.50 N ATOM 0 H GLN A 38 -1.389 9.625 -30.321 1.00 21.35 H new ATOM 0 HA GLN A 38 1.471 9.358 -29.910 1.00 43.41 H new ATOM 0 HB2 GLN A 38 0.107 10.771 -28.435 1.00 74.42 H new ATOM 0 HB3 GLN A 38 -0.927 9.414 -28.037 1.00 74.42 H new ATOM 0 HG2 GLN A 38 0.915 8.272 -26.911 1.00 44.32 H new ATOM 0 HG3 GLN A 38 2.045 9.511 -27.420 1.00 44.32 H new ATOM 0 HE21 GLN A 38 2.080 11.541 -26.397 1.00 72.50 H new ATOM 0 HE22 GLN A 38 1.220 11.835 -24.882 1.00 72.50 H new ATOM 549 N GLU A 39 -0.510 6.810 -29.833 1.00 33.35 N ATOM 550 CA GLU A 39 -0.576 5.359 -29.703 1.00 21.24 C ATOM 551 C GLU A 39 0.633 4.699 -30.359 1.00 24.44 C ATOM 552 O GLU A 39 1.028 3.593 -29.987 1.00 50.12 O ATOM 553 CB GLU A 39 -1.865 4.826 -30.331 1.00 71.11 C ATOM 554 CG GLU A 39 -1.831 4.788 -31.850 1.00 14.13 C ATOM 555 CD GLU A 39 -3.215 4.687 -32.462 1.00 31.44 C ATOM 556 OE1 GLU A 39 -4.196 5.026 -31.768 1.00 13.34 O ATOM 557 OE2 GLU A 39 -3.317 4.268 -33.633 1.00 71.35 O ATOM 0 H GLU A 39 -1.330 7.233 -30.268 1.00 33.35 H new ATOM 0 HA GLU A 39 -0.570 5.115 -28.641 1.00 21.24 H new ATOM 0 HB2 GLU A 39 -2.054 3.821 -29.955 1.00 71.11 H new ATOM 0 HB3 GLU A 39 -2.700 5.449 -30.010 1.00 71.11 H new ATOM 0 HG2 GLU A 39 -1.338 5.687 -32.221 1.00 14.13 H new ATOM 0 HG3 GLU A 39 -1.231 3.938 -32.175 1.00 14.13 H new ATOM 564 N ARG A 40 1.217 5.384 -31.336 1.00 54.43 N ATOM 565 CA ARG A 40 2.379 4.865 -32.046 1.00 24.33 C ATOM 566 C ARG A 40 3.644 5.022 -31.206 1.00 52.10 C ATOM 567 O ARG A 40 4.582 4.236 -31.328 1.00 24.23 O ATOM 568 CB ARG A 40 2.551 5.585 -33.385 1.00 34.25 C ATOM 569 CG ARG A 40 3.016 7.025 -33.246 1.00 52.22 C ATOM 570 CD ARG A 40 4.533 7.126 -33.281 1.00 53.41 C ATOM 571 NE ARG A 40 4.984 8.475 -33.614 1.00 72.24 N ATOM 572 CZ ARG A 40 6.243 8.776 -33.912 1.00 11.12 C ATOM 573 NH1 ARG A 40 7.171 7.829 -33.918 1.00 11.23 N ATOM 574 NH2 ARG A 40 6.576 10.027 -34.205 1.00 32.34 N ATOM 0 H ARG A 40 0.904 6.301 -31.654 1.00 54.43 H new ATOM 0 HA ARG A 40 2.215 3.803 -32.231 1.00 24.33 H new ATOM 0 HB2 ARG A 40 3.271 5.037 -33.993 1.00 34.25 H new ATOM 0 HB3 ARG A 40 1.602 5.568 -33.921 1.00 34.25 H new ATOM 0 HG2 ARG A 40 2.592 7.625 -34.051 1.00 52.22 H new ATOM 0 HG3 ARG A 40 2.644 7.440 -32.309 1.00 52.22 H new ATOM 0 HD2 ARG A 40 4.938 6.837 -32.311 1.00 53.41 H new ATOM 0 HD3 ARG A 40 4.927 6.421 -34.013 1.00 53.41 H new ATOM 0 HE ARG A 40 4.295 9.227 -33.618 1.00 72.24 H new ATOM 0 HH11 ARG A 40 6.919 6.866 -33.693 1.00 11.23 H new ATOM 0 HH12 ARG A 40 8.137 8.063 -34.147 1.00 11.23 H new ATOM 0 HH21 ARG A 40 5.865 10.758 -34.201 1.00 32.34 H new ATOM 0 HH22 ARG A 40 7.543 10.257 -34.434 1.00 32.34 H new ATOM 588 N GLU A 41 3.660 6.044 -30.355 1.00 73.53 N ATOM 589 CA GLU A 41 4.809 6.304 -29.497 1.00 44.11 C ATOM 590 C GLU A 41 4.696 5.532 -28.186 1.00 34.22 C ATOM 591 O GLU A 41 5.573 5.614 -27.325 1.00 63.15 O ATOM 592 CB GLU A 41 4.931 7.802 -29.210 1.00 52.24 C ATOM 593 CG GLU A 41 5.521 8.597 -30.363 1.00 62.42 C ATOM 594 CD GLU A 41 6.235 9.852 -29.901 1.00 64.03 C ATOM 595 OE1 GLU A 41 5.854 10.951 -30.355 1.00 3.50 O ATOM 596 OE2 GLU A 41 7.175 9.735 -29.087 1.00 52.31 O ATOM 0 H GLU A 41 2.891 6.704 -30.242 1.00 73.53 H new ATOM 0 HA GLU A 41 5.704 5.967 -30.021 1.00 44.11 H new ATOM 0 HB2 GLU A 41 3.944 8.199 -28.973 1.00 52.24 H new ATOM 0 HB3 GLU A 41 5.553 7.945 -28.326 1.00 52.24 H new ATOM 0 HG2 GLU A 41 6.220 7.967 -30.913 1.00 62.42 H new ATOM 0 HG3 GLU A 41 4.725 8.870 -31.056 1.00 62.42 H new ATOM 603 N LEU A 42 3.609 4.782 -28.040 1.00 54.32 N ATOM 604 CA LEU A 42 3.378 3.995 -26.834 1.00 22.21 C ATOM 605 C LEU A 42 4.514 3.002 -26.606 1.00 50.53 C ATOM 606 O LEU A 42 4.681 2.474 -25.506 1.00 43.53 O ATOM 607 CB LEU A 42 2.047 3.249 -26.935 1.00 35.13 C ATOM 608 CG LEU A 42 2.131 1.777 -27.340 1.00 73.02 C ATOM 609 CD1 LEU A 42 0.758 1.125 -27.272 1.00 4.15 C ATOM 610 CD2 LEU A 42 2.718 1.642 -28.737 1.00 61.55 C ATOM 0 H LEU A 42 2.874 4.702 -28.742 1.00 54.32 H new ATOM 0 HA LEU A 42 3.341 4.678 -25.986 1.00 22.21 H new ATOM 0 HB2 LEU A 42 1.544 3.311 -25.970 1.00 35.13 H new ATOM 0 HB3 LEU A 42 1.416 3.768 -27.657 1.00 35.13 H new ATOM 0 HG LEU A 42 2.789 1.264 -26.639 1.00 73.02 H new ATOM 0 HD11 LEU A 42 0.838 0.078 -27.564 1.00 4.15 H new ATOM 0 HD12 LEU A 42 0.374 1.190 -26.254 1.00 4.15 H new ATOM 0 HD13 LEU A 42 0.077 1.640 -27.950 1.00 4.15 H new ATOM 0 HD21 LEU A 42 2.771 0.588 -29.009 1.00 61.55 H new ATOM 0 HD22 LEU A 42 2.085 2.170 -29.450 1.00 61.55 H new ATOM 0 HD23 LEU A 42 3.720 2.071 -28.754 1.00 61.55 H new ATOM 622 N THR A 43 5.295 2.754 -27.653 1.00 72.03 N ATOM 623 CA THR A 43 6.416 1.826 -27.568 1.00 15.32 C ATOM 624 C THR A 43 7.629 2.488 -26.926 1.00 4.31 C ATOM 625 O THR A 43 8.088 2.092 -25.854 1.00 42.41 O ATOM 626 CB THR A 43 6.811 1.293 -28.958 1.00 11.31 C ATOM 627 OG1 THR A 43 6.052 1.961 -29.972 1.00 61.35 O ATOM 628 CG2 THR A 43 6.578 -0.207 -29.048 1.00 63.33 C ATOM 0 H THR A 43 5.172 3.183 -28.570 1.00 72.03 H new ATOM 0 HA THR A 43 6.090 0.992 -26.947 1.00 15.32 H new ATOM 0 HB THR A 43 7.872 1.489 -29.111 1.00 11.31 H new ATOM 0 HG1 THR A 43 6.310 1.618 -30.853 1.00 61.35 H new ATOM 0 HG21 THR A 43 6.864 -0.561 -30.038 1.00 63.33 H new ATOM 0 HG22 THR A 43 7.179 -0.715 -28.294 1.00 63.33 H new ATOM 0 HG23 THR A 43 5.523 -0.422 -28.876 1.00 63.33 H new ATOM 636 N PRO A 44 8.164 3.521 -27.594 1.00 55.41 N ATOM 637 CA PRO A 44 9.331 4.261 -27.106 1.00 2.10 C ATOM 638 C PRO A 44 9.013 5.097 -25.871 1.00 51.53 C ATOM 639 O PRO A 44 9.908 5.461 -25.107 1.00 62.41 O ATOM 640 CB PRO A 44 9.696 5.166 -28.285 1.00 42.14 C ATOM 641 CG PRO A 44 8.423 5.338 -29.039 1.00 72.23 C ATOM 642 CD PRO A 44 7.668 4.047 -28.877 1.00 44.23 C ATOM 0 HA PRO A 44 10.136 3.594 -26.798 1.00 2.10 H new ATOM 0 HB2 PRO A 44 10.086 6.125 -27.942 1.00 42.14 H new ATOM 0 HB3 PRO A 44 10.467 4.713 -28.908 1.00 42.14 H new ATOM 0 HG2 PRO A 44 7.848 6.178 -28.648 1.00 72.23 H new ATOM 0 HG3 PRO A 44 8.618 5.547 -30.091 1.00 72.23 H new ATOM 0 HD2 PRO A 44 6.591 4.212 -28.854 1.00 44.23 H new ATOM 0 HD3 PRO A 44 7.868 3.359 -29.698 1.00 44.23 H new ATOM 650 N LEU A 45 7.733 5.400 -25.681 1.00 65.02 N ATOM 651 CA LEU A 45 7.297 6.194 -24.538 1.00 33.22 C ATOM 652 C LEU A 45 7.025 5.304 -23.329 1.00 41.00 C ATOM 653 O LEU A 45 7.076 5.759 -22.186 1.00 50.01 O ATOM 654 CB LEU A 45 6.039 6.988 -24.894 1.00 34.20 C ATOM 655 CG LEU A 45 5.514 7.934 -23.813 1.00 73.24 C ATOM 656 CD1 LEU A 45 5.191 9.296 -24.408 1.00 35.14 C ATOM 657 CD2 LEU A 45 4.287 7.341 -23.136 1.00 21.04 C ATOM 0 H LEU A 45 6.980 5.108 -26.304 1.00 65.02 H new ATOM 0 HA LEU A 45 8.097 6.888 -24.282 1.00 33.22 H new ATOM 0 HB2 LEU A 45 6.244 7.572 -25.791 1.00 34.20 H new ATOM 0 HB3 LEU A 45 5.248 6.282 -25.147 1.00 34.20 H new ATOM 0 HG LEU A 45 6.292 8.064 -23.061 1.00 73.24 H new ATOM 0 HD11 LEU A 45 4.819 9.956 -23.625 1.00 35.14 H new ATOM 0 HD12 LEU A 45 6.092 9.725 -24.846 1.00 35.14 H new ATOM 0 HD13 LEU A 45 4.430 9.184 -25.180 1.00 35.14 H new ATOM 0 HD21 LEU A 45 3.927 8.027 -22.370 1.00 21.04 H new ATOM 0 HD22 LEU A 45 3.504 7.181 -23.877 1.00 21.04 H new ATOM 0 HD23 LEU A 45 4.550 6.389 -22.675 1.00 21.04 H new ATOM 669 N PHE A 46 6.739 4.033 -23.589 1.00 75.31 N ATOM 670 CA PHE A 46 6.460 3.078 -22.522 1.00 42.14 C ATOM 671 C PHE A 46 7.507 1.968 -22.499 1.00 1.20 C ATOM 672 O PHE A 46 7.343 0.960 -21.813 1.00 32.10 O ATOM 673 CB PHE A 46 5.065 2.475 -22.700 1.00 2.21 C ATOM 674 CG PHE A 46 4.347 2.233 -21.403 1.00 2.31 C ATOM 675 CD1 PHE A 46 3.581 3.232 -20.823 1.00 62.32 C ATOM 676 CD2 PHE A 46 4.439 1.008 -20.763 1.00 71.32 C ATOM 677 CE1 PHE A 46 2.919 3.012 -19.630 1.00 11.41 C ATOM 678 CE2 PHE A 46 3.779 0.782 -19.570 1.00 54.42 C ATOM 679 CZ PHE A 46 3.019 1.786 -19.002 1.00 53.32 C ATOM 0 H PHE A 46 6.694 3.640 -24.529 1.00 75.31 H new ATOM 0 HA PHE A 46 6.499 3.611 -21.572 1.00 42.14 H new ATOM 0 HB2 PHE A 46 4.466 3.143 -23.319 1.00 2.21 H new ATOM 0 HB3 PHE A 46 5.152 1.532 -23.240 1.00 2.21 H new ATOM 0 HD1 PHE A 46 3.501 4.193 -21.309 1.00 62.32 H new ATOM 0 HD2 PHE A 46 5.034 0.220 -21.201 1.00 71.32 H new ATOM 0 HE1 PHE A 46 2.324 3.798 -19.189 1.00 11.41 H new ATOM 0 HE2 PHE A 46 3.857 -0.178 -19.082 1.00 54.42 H new ATOM 0 HZ PHE A 46 2.504 1.613 -18.069 1.00 53.32 H new ATOM 689 N ALA A 47 8.583 2.162 -23.254 1.00 42.13 N ATOM 690 CA ALA A 47 9.658 1.179 -23.320 1.00 13.43 C ATOM 691 C ALA A 47 10.466 1.162 -22.026 1.00 54.35 C ATOM 692 O ALA A 47 11.310 0.290 -21.824 1.00 11.34 O ATOM 693 CB ALA A 47 10.565 1.467 -24.507 1.00 54.20 C ATOM 0 H ALA A 47 8.734 2.991 -23.829 1.00 42.13 H new ATOM 0 HA ALA A 47 9.209 0.194 -23.451 1.00 13.43 H new ATOM 0 HB1 ALA A 47 11.363 0.725 -24.544 1.00 54.20 H new ATOM 0 HB2 ALA A 47 9.984 1.421 -25.428 1.00 54.20 H new ATOM 0 HB3 ALA A 47 10.999 2.461 -24.401 1.00 54.20 H new ATOM 699 N GLN A 48 10.201 2.131 -21.156 1.00 41.41 N ATOM 700 CA GLN A 48 10.906 2.227 -19.883 1.00 55.31 C ATOM 701 C GLN A 48 9.987 1.857 -18.723 1.00 60.54 C ATOM 702 O GLN A 48 8.825 2.260 -18.666 1.00 44.20 O ATOM 703 CB GLN A 48 11.452 3.642 -19.684 1.00 22.00 C ATOM 704 CG GLN A 48 12.036 4.252 -20.948 1.00 52.21 C ATOM 705 CD GLN A 48 13.223 3.472 -21.478 1.00 53.35 C ATOM 706 OE1 GLN A 48 13.127 2.794 -22.502 1.00 3.03 O ATOM 707 NE2 GLN A 48 14.350 3.565 -20.784 1.00 25.13 N ATOM 0 H GLN A 48 9.504 2.860 -21.309 1.00 41.41 H new ATOM 0 HA GLN A 48 11.738 1.523 -19.903 1.00 55.31 H new ATOM 0 HB2 GLN A 48 10.651 4.284 -19.318 1.00 22.00 H new ATOM 0 HB3 GLN A 48 12.221 3.620 -18.912 1.00 22.00 H new ATOM 0 HG2 GLN A 48 11.263 4.297 -21.716 1.00 52.21 H new ATOM 0 HG3 GLN A 48 12.342 5.278 -20.744 1.00 52.21 H new ATOM 0 HE21 GLN A 48 14.384 4.139 -19.941 1.00 25.13 H new ATOM 0 HE22 GLN A 48 15.182 3.063 -21.093 1.00 25.13 H new ATOM 716 N PRO A 49 10.518 1.069 -17.776 1.00 74.11 N ATOM 717 CA PRO A 49 9.762 0.626 -16.600 1.00 45.42 C ATOM 718 C PRO A 49 9.479 1.768 -15.630 1.00 52.21 C ATOM 719 O PRO A 49 9.996 1.789 -14.514 1.00 12.44 O ATOM 720 CB PRO A 49 10.687 -0.408 -15.953 1.00 44.42 C ATOM 721 CG PRO A 49 12.056 -0.023 -16.399 1.00 71.31 C ATOM 722 CD PRO A 49 11.896 0.550 -17.780 1.00 12.11 C ATOM 0 HA PRO A 49 8.782 0.232 -16.869 1.00 45.42 H new ATOM 0 HB2 PRO A 49 10.604 -0.388 -14.866 1.00 44.42 H new ATOM 0 HB3 PRO A 49 10.436 -1.419 -16.273 1.00 44.42 H new ATOM 0 HG2 PRO A 49 12.496 0.709 -15.721 1.00 71.31 H new ATOM 0 HG3 PRO A 49 12.720 -0.887 -16.410 1.00 71.31 H new ATOM 0 HD2 PRO A 49 12.622 1.339 -17.974 1.00 12.11 H new ATOM 0 HD3 PRO A 49 12.037 -0.209 -18.549 1.00 12.11 H new ATOM 730 N ALA A 50 8.654 2.716 -16.064 1.00 31.33 N ATOM 731 CA ALA A 50 8.300 3.859 -15.232 1.00 53.32 C ATOM 732 C ALA A 50 6.980 3.622 -14.506 1.00 51.30 C ATOM 733 O ALA A 50 6.804 4.049 -13.365 1.00 41.02 O ATOM 734 CB ALA A 50 8.220 5.122 -16.077 1.00 70.14 C ATOM 0 H ALA A 50 8.219 2.715 -16.987 1.00 31.33 H new ATOM 0 HA ALA A 50 9.080 3.986 -14.481 1.00 53.32 H new ATOM 0 HB1 ALA A 50 7.955 5.968 -15.443 1.00 70.14 H new ATOM 0 HB2 ALA A 50 9.187 5.308 -16.545 1.00 70.14 H new ATOM 0 HB3 ALA A 50 7.461 4.996 -16.849 1.00 70.14 H new ATOM 740 N GLN A 51 6.056 2.940 -15.175 1.00 52.41 N ATOM 741 CA GLN A 51 4.751 2.649 -14.593 1.00 24.43 C ATOM 742 C GLN A 51 4.886 1.707 -13.401 1.00 33.42 C ATOM 743 O GLN A 51 3.929 1.492 -12.656 1.00 63.10 O ATOM 744 CB GLN A 51 3.826 2.032 -15.644 1.00 25.05 C ATOM 745 CG GLN A 51 4.155 0.584 -15.969 1.00 23.12 C ATOM 746 CD GLN A 51 3.072 -0.376 -15.517 1.00 64.14 C ATOM 747 OE1 GLN A 51 3.331 -1.308 -14.755 1.00 11.43 O ATOM 748 NE2 GLN A 51 1.850 -0.154 -15.987 1.00 44.41 N ATOM 0 H GLN A 51 6.187 2.579 -16.120 1.00 52.41 H new ATOM 0 HA GLN A 51 4.318 3.587 -14.245 1.00 24.43 H new ATOM 0 HB2 GLN A 51 2.797 2.091 -15.290 1.00 25.05 H new ATOM 0 HB3 GLN A 51 3.883 2.623 -16.558 1.00 25.05 H new ATOM 0 HG2 GLN A 51 4.301 0.481 -17.044 1.00 23.12 H new ATOM 0 HG3 GLN A 51 5.097 0.314 -15.492 1.00 23.12 H new ATOM 0 HE21 GLN A 51 1.680 0.631 -16.616 1.00 44.41 H new ATOM 0 HE22 GLN A 51 1.081 -0.768 -15.719 1.00 44.41 H new ATOM 757 N ARG A 52 6.078 1.147 -13.227 1.00 25.21 N ATOM 758 CA ARG A 52 6.337 0.226 -12.126 1.00 42.24 C ATOM 759 C ARG A 52 6.615 0.988 -10.834 1.00 13.41 C ATOM 760 O ARG A 52 6.368 0.483 -9.739 1.00 3.25 O ATOM 761 CB ARG A 52 7.523 -0.681 -12.460 1.00 73.24 C ATOM 762 CG ARG A 52 7.845 -1.689 -11.369 1.00 11.20 C ATOM 763 CD ARG A 52 9.268 -2.209 -11.494 1.00 4.04 C ATOM 764 NE ARG A 52 9.598 -3.161 -10.437 1.00 34.35 N ATOM 765 CZ ARG A 52 9.865 -2.806 -9.185 1.00 30.43 C ATOM 766 NH1 ARG A 52 9.842 -1.528 -8.835 1.00 54.44 N ATOM 767 NH2 ARG A 52 10.156 -3.732 -8.279 1.00 40.42 N ATOM 0 H ARG A 52 6.880 1.315 -13.834 1.00 25.21 H new ATOM 0 HA ARG A 52 5.448 -0.388 -11.982 1.00 42.24 H new ATOM 0 HB2 ARG A 52 7.311 -1.216 -13.386 1.00 73.24 H new ATOM 0 HB3 ARG A 52 8.402 -0.063 -12.643 1.00 73.24 H new ATOM 0 HG2 ARG A 52 7.711 -1.225 -10.392 1.00 11.20 H new ATOM 0 HG3 ARG A 52 7.145 -2.523 -11.425 1.00 11.20 H new ATOM 0 HD2 ARG A 52 9.395 -2.687 -12.465 1.00 4.04 H new ATOM 0 HD3 ARG A 52 9.964 -1.371 -11.458 1.00 4.04 H new ATOM 0 HE ARG A 52 9.625 -4.153 -10.673 1.00 34.35 H new ATOM 0 HH11 ARG A 52 9.619 -0.813 -9.528 1.00 54.44 H new ATOM 0 HH12 ARG A 52 10.047 -1.259 -7.873 1.00 54.44 H new ATOM 0 HH21 ARG A 52 10.175 -4.717 -8.544 1.00 40.42 H new ATOM 0 HH22 ARG A 52 10.361 -3.459 -7.318 1.00 40.42 H new ATOM 781 N ASP A 53 7.129 2.206 -10.970 1.00 32.31 N ATOM 782 CA ASP A 53 7.439 3.038 -9.813 1.00 44.15 C ATOM 783 C ASP A 53 6.627 4.329 -9.839 1.00 35.32 C ATOM 784 O ASP A 53 6.768 5.182 -8.962 1.00 24.23 O ATOM 785 CB ASP A 53 8.934 3.363 -9.778 1.00 73.55 C ATOM 786 CG ASP A 53 9.684 2.525 -8.762 1.00 3.12 C ATOM 787 OD1 ASP A 53 10.447 1.628 -9.178 1.00 71.15 O ATOM 788 OD2 ASP A 53 9.510 2.767 -7.549 1.00 51.44 O ATOM 0 H ASP A 53 7.340 2.639 -11.869 1.00 32.31 H new ATOM 0 HA ASP A 53 7.174 2.481 -8.914 1.00 44.15 H new ATOM 0 HB2 ASP A 53 9.362 3.199 -10.767 1.00 73.55 H new ATOM 0 HB3 ASP A 53 9.068 4.419 -9.544 1.00 73.55 H new ATOM 793 N LEU A 54 5.776 4.466 -10.850 1.00 35.14 N ATOM 794 CA LEU A 54 4.940 5.653 -10.990 1.00 51.43 C ATOM 795 C LEU A 54 3.524 5.276 -11.413 1.00 33.33 C ATOM 796 O LEU A 54 3.329 4.547 -12.386 1.00 21.03 O ATOM 797 CB LEU A 54 5.551 6.613 -12.013 1.00 72.34 C ATOM 798 CG LEU A 54 4.559 7.397 -12.873 1.00 43.14 C ATOM 799 CD1 LEU A 54 3.809 8.415 -12.029 1.00 13.02 C ATOM 800 CD2 LEU A 54 5.279 8.084 -14.025 1.00 21.20 C ATOM 0 H LEU A 54 5.647 3.770 -11.584 1.00 35.14 H new ATOM 0 HA LEU A 54 4.890 6.148 -10.020 1.00 51.43 H new ATOM 0 HB2 LEU A 54 6.182 7.325 -11.481 1.00 72.34 H new ATOM 0 HB3 LEU A 54 6.202 6.041 -12.674 1.00 72.34 H new ATOM 0 HG LEU A 54 3.835 6.696 -13.289 1.00 43.14 H new ATOM 0 HD11 LEU A 54 3.108 8.963 -12.658 1.00 13.02 H new ATOM 0 HD12 LEU A 54 3.262 7.900 -11.239 1.00 13.02 H new ATOM 0 HD13 LEU A 54 4.519 9.112 -11.584 1.00 13.02 H new ATOM 0 HD21 LEU A 54 4.558 8.637 -14.627 1.00 21.20 H new ATOM 0 HD22 LEU A 54 6.025 8.773 -13.629 1.00 21.20 H new ATOM 0 HD23 LEU A 54 5.770 7.335 -14.646 1.00 21.20 H new ATOM 812 N ARG A 55 2.538 5.778 -10.676 1.00 62.00 N ATOM 813 CA ARG A 55 1.140 5.494 -10.975 1.00 12.11 C ATOM 814 C ARG A 55 0.747 6.066 -12.334 1.00 3.41 C ATOM 815 O ARG A 55 1.560 6.693 -13.013 1.00 50.55 O ATOM 816 CB ARG A 55 0.236 6.073 -9.885 1.00 54.23 C ATOM 817 CG ARG A 55 -0.085 5.088 -8.773 1.00 10.32 C ATOM 818 CD ARG A 55 1.000 5.078 -7.708 1.00 3.43 C ATOM 819 NE ARG A 55 2.137 4.245 -8.092 1.00 15.22 N ATOM 820 CZ ARG A 55 3.255 4.155 -7.381 1.00 43.33 C ATOM 821 NH1 ARG A 55 3.387 4.844 -6.256 1.00 31.53 N ATOM 822 NH2 ARG A 55 4.245 3.375 -7.796 1.00 44.33 N ATOM 0 H ARG A 55 2.682 6.383 -9.868 1.00 62.00 H new ATOM 0 HA ARG A 55 1.014 4.412 -11.006 1.00 12.11 H new ATOM 0 HB2 ARG A 55 0.718 6.951 -9.454 1.00 54.23 H new ATOM 0 HB3 ARG A 55 -0.695 6.411 -10.339 1.00 54.23 H new ATOM 0 HG2 ARG A 55 -1.040 5.350 -8.318 1.00 10.32 H new ATOM 0 HG3 ARG A 55 -0.195 4.088 -9.192 1.00 10.32 H new ATOM 0 HD2 ARG A 55 1.342 6.097 -7.529 1.00 3.43 H new ATOM 0 HD3 ARG A 55 0.583 4.712 -6.770 1.00 3.43 H new ATOM 0 HE ARG A 55 2.068 3.703 -8.953 1.00 15.22 H new ATOM 0 HH11 ARG A 55 2.629 5.445 -5.934 1.00 31.53 H new ATOM 0 HH12 ARG A 55 4.247 4.773 -5.712 1.00 31.53 H new ATOM 0 HH21 ARG A 55 4.148 2.844 -8.662 1.00 44.33 H new ATOM 0 HH22 ARG A 55 5.103 3.306 -7.250 1.00 44.33 H new ATOM 836 N VAL A 56 -0.504 5.845 -12.724 1.00 51.42 N ATOM 837 CA VAL A 56 -1.005 6.339 -14.001 1.00 40.23 C ATOM 838 C VAL A 56 -2.499 6.636 -13.928 1.00 64.33 C ATOM 839 O VAL A 56 -3.296 5.776 -13.552 1.00 65.23 O ATOM 840 CB VAL A 56 -0.748 5.327 -15.134 1.00 14.41 C ATOM 841 CG1 VAL A 56 -1.115 3.921 -14.687 1.00 32.43 C ATOM 842 CG2 VAL A 56 -1.524 5.718 -16.383 1.00 13.13 C ATOM 0 H VAL A 56 -1.189 5.327 -12.174 1.00 51.42 H new ATOM 0 HA VAL A 56 -0.465 7.261 -14.218 1.00 40.23 H new ATOM 0 HB VAL A 56 0.315 5.340 -15.375 1.00 14.41 H new ATOM 0 HG11 VAL A 56 -0.927 3.220 -15.500 1.00 32.43 H new ATOM 0 HG12 VAL A 56 -0.511 3.645 -13.823 1.00 32.43 H new ATOM 0 HG13 VAL A 56 -2.171 3.889 -14.417 1.00 32.43 H new ATOM 0 HG21 VAL A 56 -1.331 4.993 -17.173 1.00 13.13 H new ATOM 0 HG22 VAL A 56 -2.590 5.735 -16.158 1.00 13.13 H new ATOM 0 HG23 VAL A 56 -1.207 6.707 -16.713 1.00 13.13 H new ATOM 852 N PHE A 57 -2.872 7.858 -14.291 1.00 1.52 N ATOM 853 CA PHE A 57 -4.271 8.270 -14.266 1.00 61.51 C ATOM 854 C PHE A 57 -4.832 8.373 -15.681 1.00 53.41 C ATOM 855 O PHE A 57 -4.189 8.918 -16.579 1.00 22.33 O ATOM 856 CB PHE A 57 -4.417 9.612 -13.547 1.00 53.34 C ATOM 857 CG PHE A 57 -4.570 9.482 -12.059 1.00 11.01 C ATOM 858 CD1 PHE A 57 -3.874 8.509 -11.360 1.00 73.32 C ATOM 859 CD2 PHE A 57 -5.410 10.333 -11.358 1.00 72.34 C ATOM 860 CE1 PHE A 57 -4.012 8.386 -9.990 1.00 54.33 C ATOM 861 CE2 PHE A 57 -5.552 10.215 -9.989 1.00 1.34 C ATOM 862 CZ PHE A 57 -4.853 9.240 -9.304 1.00 12.21 C ATOM 0 H PHE A 57 -2.225 8.581 -14.606 1.00 1.52 H new ATOM 0 HA PHE A 57 -4.838 7.513 -13.724 1.00 61.51 H new ATOM 0 HB2 PHE A 57 -3.543 10.227 -13.762 1.00 53.34 H new ATOM 0 HB3 PHE A 57 -5.283 10.138 -13.949 1.00 53.34 H new ATOM 0 HD1 PHE A 57 -3.216 7.838 -11.892 1.00 73.32 H new ATOM 0 HD2 PHE A 57 -5.960 11.097 -11.888 1.00 72.34 H new ATOM 0 HE1 PHE A 57 -3.463 7.624 -9.457 1.00 54.33 H new ATOM 0 HE2 PHE A 57 -6.209 10.885 -9.454 1.00 1.34 H new ATOM 0 HZ PHE A 57 -4.964 9.146 -8.234 1.00 12.21 H new ATOM 872 N LYS A 58 -6.037 7.847 -15.873 1.00 61.33 N ATOM 873 CA LYS A 58 -6.688 7.879 -17.178 1.00 5.43 C ATOM 874 C LYS A 58 -8.009 8.637 -17.108 1.00 13.44 C ATOM 875 O LYS A 58 -9.033 8.084 -16.707 1.00 13.03 O ATOM 876 CB LYS A 58 -6.930 6.456 -17.686 1.00 1.25 C ATOM 877 CG LYS A 58 -5.699 5.811 -18.298 1.00 23.24 C ATOM 878 CD LYS A 58 -5.868 5.593 -19.792 1.00 3.21 C ATOM 879 CE LYS A 58 -6.452 4.221 -20.093 1.00 4.32 C ATOM 880 NZ LYS A 58 -5.452 3.136 -19.890 1.00 0.45 N ATOM 0 H LYS A 58 -6.583 7.393 -15.141 1.00 61.33 H new ATOM 0 HA LYS A 58 -6.028 8.398 -17.873 1.00 5.43 H new ATOM 0 HB2 LYS A 58 -7.280 5.839 -16.859 1.00 1.25 H new ATOM 0 HB3 LYS A 58 -7.727 6.475 -18.429 1.00 1.25 H new ATOM 0 HG2 LYS A 58 -4.829 6.442 -18.118 1.00 23.24 H new ATOM 0 HG3 LYS A 58 -5.507 4.856 -17.809 1.00 23.24 H new ATOM 0 HD2 LYS A 58 -6.520 6.365 -20.202 1.00 3.21 H new ATOM 0 HD3 LYS A 58 -4.902 5.695 -20.287 1.00 3.21 H new ATOM 0 HE2 LYS A 58 -7.315 4.045 -19.451 1.00 4.32 H new ATOM 0 HE3 LYS A 58 -6.811 4.197 -21.122 1.00 4.32 H new ATOM 0 HZ1 LYS A 58 -5.800 2.257 -20.324 1.00 0.45 H new ATOM 0 HZ2 LYS A 58 -4.551 3.407 -20.333 1.00 0.45 H new ATOM 0 HZ3 LYS A 58 -5.306 2.985 -18.871 1.00 0.45 H new ATOM 894 N VAL A 59 -7.980 9.907 -17.501 1.00 71.34 N ATOM 895 CA VAL A 59 -9.177 10.740 -17.486 1.00 25.24 C ATOM 896 C VAL A 59 -9.728 10.936 -18.893 1.00 75.41 C ATOM 897 O VAL A 59 -8.972 11.068 -19.854 1.00 73.54 O ATOM 898 CB VAL A 59 -8.892 12.119 -16.861 1.00 71.31 C ATOM 899 CG1 VAL A 59 -7.629 12.724 -17.455 1.00 21.55 C ATOM 900 CG2 VAL A 59 -10.081 13.047 -17.057 1.00 42.53 C ATOM 0 H VAL A 59 -7.140 10.381 -17.834 1.00 71.34 H new ATOM 0 HA VAL A 59 -9.918 10.220 -16.879 1.00 25.24 H new ATOM 0 HB VAL A 59 -8.734 11.989 -15.790 1.00 71.31 H new ATOM 0 HG11 VAL A 59 -7.444 13.698 -17.001 1.00 21.55 H new ATOM 0 HG12 VAL A 59 -6.783 12.065 -17.259 1.00 21.55 H new ATOM 0 HG13 VAL A 59 -7.754 12.843 -18.531 1.00 21.55 H new ATOM 0 HG21 VAL A 59 -9.863 14.017 -16.610 1.00 42.53 H new ATOM 0 HG22 VAL A 59 -10.272 13.174 -18.123 1.00 42.53 H new ATOM 0 HG23 VAL A 59 -10.961 12.617 -16.579 1.00 42.53 H new ATOM 910 N ASN A 60 -11.053 10.954 -19.006 1.00 64.03 N ATOM 911 CA ASN A 60 -11.707 11.134 -20.297 1.00 61.23 C ATOM 912 C ASN A 60 -12.344 12.517 -20.396 1.00 71.52 C ATOM 913 O ASN A 60 -12.687 13.128 -19.384 1.00 30.21 O ATOM 914 CB ASN A 60 -12.770 10.054 -20.509 1.00 21.24 C ATOM 915 CG ASN A 60 -13.336 10.067 -21.915 1.00 52.43 C ATOM 916 OD1 ASN A 60 -14.374 10.677 -22.173 1.00 12.34 O ATOM 917 ND2 ASN A 60 -12.655 9.393 -22.834 1.00 22.42 N ATOM 0 H ASN A 60 -11.694 10.846 -18.220 1.00 64.03 H new ATOM 0 HA ASN A 60 -10.949 11.046 -21.075 1.00 61.23 H new ATOM 0 HB2 ASN A 60 -12.335 9.076 -20.304 1.00 21.24 H new ATOM 0 HB3 ASN A 60 -13.579 10.199 -19.793 1.00 21.24 H new ATOM 0 HD21 ASN A 60 -12.988 9.367 -23.798 1.00 22.42 H new ATOM 0 HD22 ASN A 60 -11.799 8.901 -22.576 1.00 22.42 H new ATOM 924 N PHE A 61 -12.500 13.004 -21.623 1.00 32.33 N ATOM 925 CA PHE A 61 -13.096 14.314 -21.855 1.00 1.34 C ATOM 926 C PHE A 61 -14.514 14.374 -21.294 1.00 3.33 C ATOM 927 O PHE A 61 -15.068 15.455 -21.094 1.00 14.04 O ATOM 928 CB PHE A 61 -13.114 14.632 -23.351 1.00 45.42 C ATOM 929 CG PHE A 61 -14.031 15.765 -23.712 1.00 52.35 C ATOM 930 CD1 PHE A 61 -15.362 15.527 -24.015 1.00 32.24 C ATOM 931 CD2 PHE A 61 -13.563 17.069 -23.751 1.00 24.35 C ATOM 932 CE1 PHE A 61 -16.209 16.567 -24.347 1.00 55.01 C ATOM 933 CE2 PHE A 61 -14.405 18.113 -24.082 1.00 32.11 C ATOM 934 CZ PHE A 61 -15.730 17.862 -24.382 1.00 21.32 C ATOM 0 H PHE A 61 -12.222 12.511 -22.471 1.00 32.33 H new ATOM 0 HA PHE A 61 -12.488 15.058 -21.340 1.00 1.34 H new ATOM 0 HB2 PHE A 61 -12.102 14.877 -23.674 1.00 45.42 H new ATOM 0 HB3 PHE A 61 -13.417 13.741 -23.900 1.00 45.42 H new ATOM 0 HD1 PHE A 61 -15.742 14.516 -23.991 1.00 32.24 H new ATOM 0 HD2 PHE A 61 -12.528 17.271 -23.520 1.00 24.35 H new ATOM 0 HE1 PHE A 61 -17.245 16.367 -24.579 1.00 55.01 H new ATOM 0 HE2 PHE A 61 -14.028 19.125 -24.106 1.00 32.11 H new ATOM 0 HZ PHE A 61 -16.390 18.676 -24.643 1.00 21.32 H new ATOM 944 N ASP A 62 -15.094 13.206 -21.043 1.00 70.00 N ATOM 945 CA ASP A 62 -16.447 13.124 -20.505 1.00 1.12 C ATOM 946 C ASP A 62 -16.468 13.504 -19.028 1.00 0.15 C ATOM 947 O ASP A 62 -17.523 13.801 -18.466 1.00 51.22 O ATOM 948 CB ASP A 62 -17.008 11.713 -20.689 1.00 44.13 C ATOM 949 CG ASP A 62 -17.217 11.359 -22.149 1.00 2.54 C ATOM 950 OD1 ASP A 62 -17.190 12.280 -22.992 1.00 42.13 O ATOM 951 OD2 ASP A 62 -17.407 10.162 -22.447 1.00 44.01 O ATOM 0 H ASP A 62 -14.649 12.303 -21.203 1.00 70.00 H new ATOM 0 HA ASP A 62 -17.072 13.829 -21.053 1.00 1.12 H new ATOM 0 HB2 ASP A 62 -16.326 10.992 -20.237 1.00 44.13 H new ATOM 0 HB3 ASP A 62 -17.957 11.630 -20.159 1.00 44.13 H new ATOM 956 N THR A 63 -15.295 13.492 -18.402 1.00 31.34 N ATOM 957 CA THR A 63 -15.179 13.832 -16.989 1.00 42.54 C ATOM 958 C THR A 63 -14.376 15.114 -16.797 1.00 60.04 C ATOM 959 O THR A 63 -14.628 15.881 -15.868 1.00 61.15 O ATOM 960 CB THR A 63 -14.511 12.697 -16.191 1.00 0.23 C ATOM 961 OG1 THR A 63 -15.126 11.445 -16.512 1.00 64.44 O ATOM 962 CG2 THR A 63 -14.619 12.952 -14.695 1.00 34.32 C ATOM 0 H THR A 63 -14.412 13.250 -18.851 1.00 31.34 H new ATOM 0 HA THR A 63 -16.192 13.981 -16.615 1.00 42.54 H new ATOM 0 HB THR A 63 -13.456 12.663 -16.463 1.00 0.23 H new ATOM 0 HG1 THR A 63 -15.641 11.127 -15.742 1.00 64.44 H new ATOM 0 HG21 THR A 63 -14.140 12.137 -14.152 1.00 34.32 H new ATOM 0 HG22 THR A 63 -14.125 13.892 -14.449 1.00 34.32 H new ATOM 0 HG23 THR A 63 -15.670 13.010 -14.411 1.00 34.32 H new ATOM 970 N GLN A 64 -13.410 15.340 -17.682 1.00 23.44 N ATOM 971 CA GLN A 64 -12.570 16.529 -17.608 1.00 52.51 C ATOM 972 C GLN A 64 -13.093 17.622 -18.535 1.00 4.43 C ATOM 973 O GLN A 64 -12.354 18.527 -18.924 1.00 3.10 O ATOM 974 CB GLN A 64 -11.125 16.183 -17.972 1.00 53.32 C ATOM 975 CG GLN A 64 -10.156 16.316 -16.809 1.00 12.24 C ATOM 976 CD GLN A 64 -8.754 15.861 -17.162 1.00 41.42 C ATOM 977 OE1 GLN A 64 -8.504 15.384 -18.270 1.00 13.34 O ATOM 978 NE2 GLN A 64 -7.829 16.007 -16.221 1.00 1.23 N ATOM 0 H GLN A 64 -13.190 14.716 -18.458 1.00 23.44 H new ATOM 0 HA GLN A 64 -12.599 16.901 -16.584 1.00 52.51 H new ATOM 0 HB2 GLN A 64 -11.089 15.161 -18.349 1.00 53.32 H new ATOM 0 HB3 GLN A 64 -10.798 16.834 -18.783 1.00 53.32 H new ATOM 0 HG2 GLN A 64 -10.125 17.356 -16.484 1.00 12.24 H new ATOM 0 HG3 GLN A 64 -10.523 15.729 -15.967 1.00 12.24 H new ATOM 0 HE21 GLN A 64 -8.080 16.407 -15.317 1.00 1.23 H new ATOM 0 HE22 GLN A 64 -6.867 15.719 -16.402 1.00 1.23 H new ATOM 987 N LYS A 65 -14.371 17.533 -18.885 1.00 70.44 N ATOM 988 CA LYS A 65 -14.994 18.514 -19.766 1.00 31.22 C ATOM 989 C LYS A 65 -14.866 19.920 -19.190 1.00 11.41 C ATOM 990 O LYS A 65 -15.030 20.910 -19.903 1.00 0.24 O ATOM 991 CB LYS A 65 -16.470 18.172 -19.981 1.00 71.30 C ATOM 992 CG LYS A 65 -17.341 18.446 -18.768 1.00 14.35 C ATOM 993 CD LYS A 65 -18.795 18.093 -19.033 1.00 52.34 C ATOM 994 CE LYS A 65 -19.424 19.043 -20.042 1.00 22.32 C ATOM 995 NZ LYS A 65 -20.839 18.683 -20.335 1.00 1.11 N ATOM 0 H LYS A 65 -14.997 16.791 -18.572 1.00 70.44 H new ATOM 0 HA LYS A 65 -14.477 18.484 -20.725 1.00 31.22 H new ATOM 0 HB2 LYS A 65 -16.848 18.747 -20.826 1.00 71.30 H new ATOM 0 HB3 LYS A 65 -16.555 17.119 -20.248 1.00 71.30 H new ATOM 0 HG2 LYS A 65 -16.975 17.869 -17.919 1.00 14.35 H new ATOM 0 HG3 LYS A 65 -17.265 19.499 -18.495 1.00 14.35 H new ATOM 0 HD2 LYS A 65 -18.860 17.070 -19.405 1.00 52.34 H new ATOM 0 HD3 LYS A 65 -19.356 18.129 -18.099 1.00 52.34 H new ATOM 0 HE2 LYS A 65 -19.381 20.062 -19.657 1.00 22.32 H new ATOM 0 HE3 LYS A 65 -18.846 19.026 -20.966 1.00 22.32 H new ATOM 0 HZ1 LYS A 65 -21.232 19.353 -21.026 1.00 1.11 H new ATOM 0 HZ2 LYS A 65 -20.878 17.720 -20.726 1.00 1.11 H new ATOM 0 HZ3 LYS A 65 -21.396 18.724 -19.458 1.00 1.11 H new ATOM 1009 N ALA A 66 -14.571 20.001 -17.897 1.00 31.24 N ATOM 1010 CA ALA A 66 -14.418 21.286 -17.227 1.00 3.24 C ATOM 1011 C ALA A 66 -12.986 21.798 -17.343 1.00 11.51 C ATOM 1012 O ALA A 66 -12.689 22.931 -16.963 1.00 73.32 O ATOM 1013 CB ALA A 66 -14.822 21.171 -15.764 1.00 63.32 C ATOM 0 H ALA A 66 -14.433 19.191 -17.292 1.00 31.24 H new ATOM 0 HA ALA A 66 -15.075 22.004 -17.718 1.00 3.24 H new ATOM 0 HB1 ALA A 66 -14.702 22.138 -15.276 1.00 63.32 H new ATOM 0 HB2 ALA A 66 -15.864 20.858 -15.698 1.00 63.32 H new ATOM 0 HB3 ALA A 66 -14.189 20.434 -15.269 1.00 63.32 H new ATOM 1019 N ALA A 67 -12.102 20.957 -17.870 1.00 14.04 N ATOM 1020 CA ALA A 67 -10.702 21.326 -18.037 1.00 32.31 C ATOM 1021 C ALA A 67 -10.507 22.194 -19.275 1.00 72.34 C ATOM 1022 O ALA A 67 -9.912 23.270 -19.205 1.00 24.43 O ATOM 1023 CB ALA A 67 -9.835 20.079 -18.122 1.00 64.30 C ATOM 0 H ALA A 67 -12.331 20.015 -18.189 1.00 14.04 H new ATOM 0 HA ALA A 67 -10.398 21.908 -17.167 1.00 32.31 H new ATOM 0 HB1 ALA A 67 -8.792 20.369 -18.247 1.00 64.30 H new ATOM 0 HB2 ALA A 67 -9.943 19.498 -17.206 1.00 64.30 H new ATOM 0 HB3 ALA A 67 -10.148 19.476 -18.974 1.00 64.30 H new ATOM 1029 N LEU A 68 -11.012 21.720 -20.409 1.00 64.03 N ATOM 1030 CA LEU A 68 -10.892 22.453 -21.665 1.00 13.01 C ATOM 1031 C LEU A 68 -11.948 23.550 -21.757 1.00 51.05 C ATOM 1032 O LEU A 68 -11.832 24.468 -22.568 1.00 53.44 O ATOM 1033 CB LEU A 68 -11.028 21.497 -22.851 1.00 55.03 C ATOM 1034 CG LEU A 68 -12.039 20.361 -22.686 1.00 2.34 C ATOM 1035 CD1 LEU A 68 -11.451 19.244 -21.838 1.00 35.15 C ATOM 1036 CD2 LEU A 68 -13.329 20.881 -22.068 1.00 24.25 C ATOM 0 H LEU A 68 -11.508 20.832 -20.485 1.00 64.03 H new ATOM 0 HA LEU A 68 -9.907 22.919 -21.693 1.00 13.01 H new ATOM 0 HB2 LEU A 68 -11.305 22.078 -23.730 1.00 55.03 H new ATOM 0 HB3 LEU A 68 -10.050 21.060 -23.053 1.00 55.03 H new ATOM 0 HG LEU A 68 -12.269 19.958 -23.672 1.00 2.34 H new ATOM 0 HD11 LEU A 68 -12.184 18.444 -21.731 1.00 35.15 H new ATOM 0 HD12 LEU A 68 -10.555 18.853 -22.321 1.00 35.15 H new ATOM 0 HD13 LEU A 68 -11.192 19.633 -20.853 1.00 35.15 H new ATOM 0 HD21 LEU A 68 -14.037 20.059 -21.958 1.00 24.25 H new ATOM 0 HD22 LEU A 68 -13.116 21.310 -21.089 1.00 24.25 H new ATOM 0 HD23 LEU A 68 -13.759 21.646 -22.714 1.00 24.25 H new ATOM 1048 N GLN A 69 -12.975 23.448 -20.920 1.00 71.10 N ATOM 1049 CA GLN A 69 -14.050 24.433 -20.907 1.00 34.30 C ATOM 1050 C GLN A 69 -13.690 25.620 -20.020 1.00 53.02 C ATOM 1051 O GLN A 69 -14.151 26.738 -20.248 1.00 12.22 O ATOM 1052 CB GLN A 69 -15.351 23.792 -20.419 1.00 10.40 C ATOM 1053 CG GLN A 69 -16.101 23.036 -21.503 1.00 70.15 C ATOM 1054 CD GLN A 69 -17.202 23.863 -22.137 1.00 32.01 C ATOM 1055 OE1 GLN A 69 -16.896 25.117 -22.449 1.00 73.32 O flip ATOM 1056 NE2 GLN A 69 -18.316 23.381 -22.343 1.00 71.25 N flip ATOM 0 H GLN A 69 -13.085 22.694 -20.242 1.00 71.10 H new ATOM 0 HA GLN A 69 -14.191 24.794 -21.926 1.00 34.30 H new ATOM 0 HB2 GLN A 69 -15.125 23.108 -19.601 1.00 10.40 H new ATOM 0 HB3 GLN A 69 -16.000 24.569 -20.015 1.00 10.40 H new ATOM 0 HG2 GLN A 69 -15.398 22.722 -22.274 1.00 70.15 H new ATOM 0 HG3 GLN A 69 -16.532 22.130 -21.077 1.00 70.15 H new ATOM 0 HE21 GLN A 69 -18.508 22.412 -22.087 1.00 71.25 H new ATOM 0 HE22 GLN A 69 -19.047 23.950 -22.769 1.00 71.25 H new ATOM 1065 N GLN A 70 -12.865 25.368 -19.009 1.00 42.53 N ATOM 1066 CA GLN A 70 -12.444 26.417 -18.088 1.00 13.41 C ATOM 1067 C GLN A 70 -11.126 27.040 -18.537 1.00 14.13 C ATOM 1068 O GLN A 70 -10.920 28.246 -18.400 1.00 44.24 O ATOM 1069 CB GLN A 70 -12.300 25.855 -16.673 1.00 35.22 C ATOM 1070 CG GLN A 70 -12.094 26.923 -15.611 1.00 51.33 C ATOM 1071 CD GLN A 70 -12.476 26.448 -14.223 1.00 40.42 C ATOM 1072 OE1 GLN A 70 -13.167 27.149 -13.483 1.00 4.21 O ATOM 1073 NE2 GLN A 70 -12.028 25.252 -13.863 1.00 25.35 N ATOM 0 H GLN A 70 -12.475 24.447 -18.807 1.00 42.53 H new ATOM 0 HA GLN A 70 -13.210 27.193 -18.087 1.00 13.41 H new ATOM 0 HB2 GLN A 70 -13.192 25.278 -16.428 1.00 35.22 H new ATOM 0 HB3 GLN A 70 -11.457 25.164 -16.650 1.00 35.22 H new ATOM 0 HG2 GLN A 70 -11.049 27.232 -15.610 1.00 51.33 H new ATOM 0 HG3 GLN A 70 -12.686 27.802 -15.866 1.00 51.33 H new ATOM 0 HE21 GLN A 70 -11.458 24.705 -14.509 1.00 25.35 H new ATOM 0 HE22 GLN A 70 -12.253 24.879 -12.941 1.00 25.35 H new ATOM 1082 N PHE A 71 -10.238 26.210 -19.072 1.00 45.02 N ATOM 1083 CA PHE A 71 -8.938 26.679 -19.540 1.00 14.00 C ATOM 1084 C PHE A 71 -9.022 27.161 -20.985 1.00 54.13 C ATOM 1085 O PHE A 71 -8.047 27.667 -21.540 1.00 25.21 O ATOM 1086 CB PHE A 71 -7.897 25.564 -19.422 1.00 52.01 C ATOM 1087 CG PHE A 71 -7.576 25.192 -18.003 1.00 23.31 C ATOM 1088 CD1 PHE A 71 -7.328 26.171 -17.055 1.00 1.21 C ATOM 1089 CD2 PHE A 71 -7.521 23.862 -17.617 1.00 42.01 C ATOM 1090 CE1 PHE A 71 -7.032 25.832 -15.748 1.00 11.10 C ATOM 1091 CE2 PHE A 71 -7.226 23.517 -16.312 1.00 20.13 C ATOM 1092 CZ PHE A 71 -6.980 24.503 -15.376 1.00 71.03 C ATOM 0 H PHE A 71 -10.394 25.209 -19.193 1.00 45.02 H new ATOM 0 HA PHE A 71 -8.635 27.517 -18.913 1.00 14.00 H new ATOM 0 HB2 PHE A 71 -8.261 24.681 -19.947 1.00 52.01 H new ATOM 0 HB3 PHE A 71 -6.981 25.878 -19.923 1.00 52.01 H new ATOM 0 HD1 PHE A 71 -7.366 27.212 -17.340 1.00 1.21 H new ATOM 0 HD2 PHE A 71 -7.711 23.087 -18.344 1.00 42.01 H new ATOM 0 HE1 PHE A 71 -6.842 26.605 -15.019 1.00 11.10 H new ATOM 0 HE2 PHE A 71 -7.188 22.477 -16.024 1.00 20.13 H new ATOM 0 HZ PHE A 71 -6.748 24.235 -14.356 1.00 71.03 H new ATOM 1102 N ARG A 72 -10.195 27.000 -21.589 1.00 72.13 N ATOM 1103 CA ARG A 72 -10.407 27.416 -22.970 1.00 51.52 C ATOM 1104 C ARG A 72 -9.559 26.583 -23.926 1.00 24.31 C ATOM 1105 O ARG A 72 -8.907 27.118 -24.822 1.00 45.23 O ATOM 1106 CB ARG A 72 -10.071 28.900 -23.135 1.00 73.21 C ATOM 1107 CG ARG A 72 -10.895 29.595 -24.207 1.00 4.21 C ATOM 1108 CD ARG A 72 -12.171 30.189 -23.631 1.00 45.43 C ATOM 1109 NE ARG A 72 -12.201 31.644 -23.754 1.00 44.42 N ATOM 1110 CZ ARG A 72 -12.494 32.281 -24.883 1.00 25.32 C ATOM 1111 NH1 ARG A 72 -12.780 31.594 -25.980 1.00 33.41 N ATOM 1112 NH2 ARG A 72 -12.500 33.607 -24.915 1.00 54.25 N ATOM 0 H ARG A 72 -11.013 26.584 -21.143 1.00 72.13 H new ATOM 0 HA ARG A 72 -11.458 27.258 -23.213 1.00 51.52 H new ATOM 0 HB2 ARG A 72 -10.227 29.407 -22.183 1.00 73.21 H new ATOM 0 HB3 ARG A 72 -9.014 28.999 -23.380 1.00 73.21 H new ATOM 0 HG2 ARG A 72 -10.302 30.384 -24.669 1.00 4.21 H new ATOM 0 HG3 ARG A 72 -11.146 28.883 -24.993 1.00 4.21 H new ATOM 0 HD2 ARG A 72 -13.033 29.764 -24.145 1.00 45.43 H new ATOM 0 HD3 ARG A 72 -12.258 29.912 -22.580 1.00 45.43 H new ATOM 0 HE ARG A 72 -11.985 32.202 -22.928 1.00 44.42 H new ATOM 0 HH11 ARG A 72 -12.776 30.574 -25.959 1.00 33.41 H new ATOM 0 HH12 ARG A 72 -13.005 32.085 -26.845 1.00 33.41 H new ATOM 0 HH21 ARG A 72 -12.280 34.138 -24.073 1.00 54.25 H new ATOM 0 HH22 ARG A 72 -12.725 34.095 -25.782 1.00 54.25 H new ATOM 1126 N VAL A 73 -9.572 25.268 -23.727 1.00 43.35 N ATOM 1127 CA VAL A 73 -8.804 24.360 -24.571 1.00 53.14 C ATOM 1128 C VAL A 73 -9.720 23.390 -25.310 1.00 0.41 C ATOM 1129 O VAL A 73 -10.936 23.576 -25.348 1.00 33.11 O ATOM 1130 CB VAL A 73 -7.782 23.556 -23.746 1.00 40.22 C ATOM 1131 CG1 VAL A 73 -6.472 23.419 -24.507 1.00 22.44 C ATOM 1132 CG2 VAL A 73 -7.556 24.213 -22.393 1.00 30.33 C ATOM 0 H VAL A 73 -10.106 24.808 -22.989 1.00 43.35 H new ATOM 0 HA VAL A 73 -8.271 24.976 -25.295 1.00 53.14 H new ATOM 0 HB VAL A 73 -8.182 22.556 -23.577 1.00 40.22 H new ATOM 0 HG11 VAL A 73 -5.762 22.848 -23.909 1.00 22.44 H new ATOM 0 HG12 VAL A 73 -6.651 22.902 -25.449 1.00 22.44 H new ATOM 0 HG13 VAL A 73 -6.063 24.409 -24.709 1.00 22.44 H new ATOM 0 HG21 VAL A 73 -6.831 23.632 -21.823 1.00 30.33 H new ATOM 0 HG22 VAL A 73 -7.177 25.224 -22.538 1.00 30.33 H new ATOM 0 HG23 VAL A 73 -8.498 24.254 -21.847 1.00 30.33 H new ATOM 1142 N SER A 74 -9.127 22.355 -25.896 1.00 12.02 N ATOM 1143 CA SER A 74 -9.889 21.357 -26.637 1.00 32.32 C ATOM 1144 C SER A 74 -8.996 20.194 -27.059 1.00 4.33 C ATOM 1145 O SER A 74 -8.630 20.072 -28.228 1.00 35.45 O ATOM 1146 CB SER A 74 -10.537 21.990 -27.869 1.00 40.44 C ATOM 1147 OG SER A 74 -11.865 22.402 -27.593 1.00 64.21 O ATOM 0 H SER A 74 -8.121 22.186 -25.872 1.00 12.02 H new ATOM 0 HA SER A 74 -10.670 20.973 -25.981 1.00 32.32 H new ATOM 0 HB2 SER A 74 -9.947 22.847 -28.194 1.00 40.44 H new ATOM 0 HB3 SER A 74 -10.539 21.274 -28.691 1.00 40.44 H new ATOM 0 HG SER A 74 -11.883 22.907 -26.753 1.00 64.21 H new ATOM 1153 N GLN A 75 -8.648 19.344 -26.098 1.00 2.41 N ATOM 1154 CA GLN A 75 -7.796 18.192 -26.369 1.00 54.22 C ATOM 1155 C GLN A 75 -7.539 17.394 -25.096 1.00 21.35 C ATOM 1156 O GLN A 75 -7.681 17.912 -23.988 1.00 60.14 O ATOM 1157 CB GLN A 75 -6.469 18.645 -26.979 1.00 25.03 C ATOM 1158 CG GLN A 75 -6.334 18.316 -28.457 1.00 21.33 C ATOM 1159 CD GLN A 75 -5.622 19.405 -29.235 1.00 23.43 C ATOM 1160 OE1 GLN A 75 -4.395 19.507 -29.201 1.00 71.42 O ATOM 1161 NE2 GLN A 75 -6.389 20.226 -29.941 1.00 52.14 N ATOM 0 H GLN A 75 -8.943 19.431 -25.125 1.00 2.41 H new ATOM 0 HA GLN A 75 -8.313 17.548 -27.081 1.00 54.22 H new ATOM 0 HB2 GLN A 75 -6.366 19.722 -26.844 1.00 25.03 H new ATOM 0 HB3 GLN A 75 -5.650 18.176 -26.435 1.00 25.03 H new ATOM 0 HG2 GLN A 75 -5.788 17.379 -28.568 1.00 21.33 H new ATOM 0 HG3 GLN A 75 -7.325 18.160 -28.882 1.00 21.33 H new ATOM 0 HE21 GLN A 75 -7.402 20.105 -29.940 1.00 52.14 H new ATOM 0 HE22 GLN A 75 -5.966 20.978 -30.484 1.00 52.14 H new ATOM 1170 N GLN A 76 -7.160 16.131 -25.261 1.00 71.43 N ATOM 1171 CA GLN A 76 -6.884 15.261 -24.124 1.00 70.10 C ATOM 1172 C GLN A 76 -5.428 14.806 -24.128 1.00 34.35 C ATOM 1173 O GLN A 76 -5.120 13.682 -24.525 1.00 11.14 O ATOM 1174 CB GLN A 76 -7.811 14.044 -24.148 1.00 52.44 C ATOM 1175 CG GLN A 76 -8.174 13.584 -25.551 1.00 51.10 C ATOM 1176 CD GLN A 76 -7.086 12.742 -26.189 1.00 15.42 C ATOM 1177 OE1 GLN A 76 -7.024 11.530 -25.985 1.00 74.42 O ATOM 1178 NE2 GLN A 76 -6.221 13.383 -26.966 1.00 73.24 N ATOM 0 H GLN A 76 -7.037 15.687 -26.171 1.00 71.43 H new ATOM 0 HA GLN A 76 -7.066 15.829 -23.212 1.00 70.10 H new ATOM 0 HB2 GLN A 76 -7.331 13.222 -23.618 1.00 52.44 H new ATOM 0 HB3 GLN A 76 -8.725 14.283 -23.605 1.00 52.44 H new ATOM 0 HG2 GLN A 76 -9.098 13.008 -25.513 1.00 51.10 H new ATOM 0 HG3 GLN A 76 -8.367 14.456 -26.176 1.00 51.10 H new ATOM 0 HE21 GLN A 76 -6.311 14.389 -27.107 1.00 73.24 H new ATOM 0 HE22 GLN A 76 -5.467 12.869 -27.422 1.00 73.24 H new ATOM 1187 N SER A 77 -4.537 15.686 -23.683 1.00 32.01 N ATOM 1188 CA SER A 77 -3.113 15.376 -23.639 1.00 10.03 C ATOM 1189 C SER A 77 -2.466 15.973 -22.393 1.00 5.11 C ATOM 1190 O SER A 77 -1.242 16.083 -22.306 1.00 20.01 O ATOM 1191 CB SER A 77 -2.415 15.905 -24.893 1.00 73.13 C ATOM 1192 OG SER A 77 -3.050 17.077 -25.374 1.00 40.20 O ATOM 0 H SER A 77 -4.776 16.619 -23.348 1.00 32.01 H new ATOM 0 HA SER A 77 -3.003 14.292 -23.601 1.00 10.03 H new ATOM 0 HB2 SER A 77 -1.370 16.120 -24.668 1.00 73.13 H new ATOM 0 HB3 SER A 77 -2.423 15.139 -25.668 1.00 73.13 H new ATOM 0 HG SER A 77 -2.810 17.217 -26.314 1.00 40.20 H new ATOM 1198 N THR A 78 -3.296 16.358 -21.429 1.00 1.32 N ATOM 1199 CA THR A 78 -2.806 16.945 -20.188 1.00 15.51 C ATOM 1200 C THR A 78 -1.989 15.938 -19.388 1.00 23.00 C ATOM 1201 O THR A 78 -2.482 14.868 -19.029 1.00 21.21 O ATOM 1202 CB THR A 78 -3.966 17.458 -19.313 1.00 51.23 C ATOM 1203 OG1 THR A 78 -4.488 18.676 -19.857 1.00 34.23 O ATOM 1204 CG2 THR A 78 -3.503 17.693 -17.883 1.00 62.25 C ATOM 0 H THR A 78 -4.311 16.274 -21.484 1.00 1.32 H new ATOM 0 HA THR A 78 -2.170 17.786 -20.466 1.00 15.51 H new ATOM 0 HB THR A 78 -4.748 16.699 -19.304 1.00 51.23 H new ATOM 0 HG1 THR A 78 -5.226 18.995 -19.296 1.00 34.23 H new ATOM 0 HG21 THR A 78 -4.339 18.055 -17.285 1.00 62.25 H new ATOM 0 HG22 THR A 78 -3.133 16.758 -17.462 1.00 62.25 H new ATOM 0 HG23 THR A 78 -2.704 18.435 -17.876 1.00 62.25 H new ATOM 1212 N LEU A 79 -0.737 16.286 -19.111 1.00 10.02 N ATOM 1213 CA LEU A 79 0.150 15.412 -18.351 1.00 60.55 C ATOM 1214 C LEU A 79 0.812 16.170 -17.206 1.00 25.12 C ATOM 1215 O LEU A 79 1.290 17.291 -17.385 1.00 24.43 O ATOM 1216 CB LEU A 79 1.219 14.816 -19.269 1.00 70.41 C ATOM 1217 CG LEU A 79 1.670 13.392 -18.938 1.00 51.44 C ATOM 1218 CD1 LEU A 79 2.817 12.972 -19.844 1.00 72.22 C ATOM 1219 CD2 LEU A 79 2.077 13.288 -17.476 1.00 2.31 C ATOM 0 H LEU A 79 -0.313 17.167 -19.401 1.00 10.02 H new ATOM 0 HA LEU A 79 -0.449 14.605 -17.929 1.00 60.55 H new ATOM 0 HB2 LEU A 79 0.839 14.827 -20.291 1.00 70.41 H new ATOM 0 HB3 LEU A 79 2.093 15.467 -19.246 1.00 70.41 H new ATOM 0 HG LEU A 79 0.832 12.716 -19.110 1.00 51.44 H new ATOM 0 HD11 LEU A 79 3.125 11.957 -19.594 1.00 72.22 H new ATOM 0 HD12 LEU A 79 2.491 13.007 -20.884 1.00 72.22 H new ATOM 0 HD13 LEU A 79 3.658 13.651 -19.704 1.00 72.22 H new ATOM 0 HD21 LEU A 79 2.395 12.268 -17.258 1.00 2.31 H new ATOM 0 HD22 LEU A 79 2.900 13.975 -17.278 1.00 2.31 H new ATOM 0 HD23 LEU A 79 1.228 13.546 -16.843 1.00 2.31 H new ATOM 1231 N ILE A 80 0.839 15.551 -16.030 1.00 71.35 N ATOM 1232 CA ILE A 80 1.446 16.166 -14.857 1.00 11.22 C ATOM 1233 C ILE A 80 1.778 15.121 -13.798 1.00 21.33 C ATOM 1234 O ILE A 80 0.886 14.578 -13.144 1.00 63.20 O ATOM 1235 CB ILE A 80 0.522 17.232 -14.238 1.00 74.53 C ATOM 1236 CG1 ILE A 80 1.083 17.709 -12.897 1.00 62.05 C ATOM 1237 CG2 ILE A 80 -0.884 16.676 -14.062 1.00 63.24 C ATOM 1238 CD1 ILE A 80 0.519 19.038 -12.445 1.00 23.41 C ATOM 0 H ILE A 80 0.447 14.624 -15.865 1.00 71.35 H new ATOM 0 HA ILE A 80 2.366 16.645 -15.193 1.00 11.22 H new ATOM 0 HB ILE A 80 0.473 18.086 -14.914 1.00 74.53 H new ATOM 0 HG12 ILE A 80 0.873 16.957 -12.136 1.00 62.05 H new ATOM 0 HG13 ILE A 80 2.167 17.791 -12.974 1.00 62.05 H new ATOM 0 HG21 ILE A 80 -1.525 17.441 -13.624 1.00 63.24 H new ATOM 0 HG22 ILE A 80 -1.283 16.381 -15.033 1.00 63.24 H new ATOM 0 HG23 ILE A 80 -0.852 15.808 -13.404 1.00 63.24 H new ATOM 0 HD11 ILE A 80 0.961 19.314 -11.488 1.00 23.41 H new ATOM 0 HD12 ILE A 80 0.751 19.803 -13.186 1.00 23.41 H new ATOM 0 HD13 ILE A 80 -0.562 18.956 -12.335 1.00 23.41 H new ATOM 1250 N LEU A 81 3.067 14.844 -13.632 1.00 33.24 N ATOM 1251 CA LEU A 81 3.518 13.864 -12.650 1.00 3.15 C ATOM 1252 C LEU A 81 4.019 14.553 -11.384 1.00 21.30 C ATOM 1253 O LEU A 81 5.060 15.211 -11.393 1.00 73.23 O ATOM 1254 CB LEU A 81 4.627 12.992 -13.242 1.00 51.42 C ATOM 1255 CG LEU A 81 5.574 12.335 -12.237 1.00 54.32 C ATOM 1256 CD1 LEU A 81 5.838 10.888 -12.621 1.00 23.31 C ATOM 1257 CD2 LEU A 81 6.879 13.112 -12.147 1.00 51.34 C ATOM 0 H LEU A 81 3.818 15.284 -14.164 1.00 33.24 H new ATOM 0 HA LEU A 81 2.669 13.233 -12.387 1.00 3.15 H new ATOM 0 HB2 LEU A 81 4.164 12.208 -13.841 1.00 51.42 H new ATOM 0 HB3 LEU A 81 5.219 13.605 -13.922 1.00 51.42 H new ATOM 0 HG LEU A 81 5.099 12.348 -11.256 1.00 54.32 H new ATOM 0 HD11 LEU A 81 6.514 10.436 -11.895 1.00 23.31 H new ATOM 0 HD12 LEU A 81 4.897 10.337 -12.633 1.00 23.31 H new ATOM 0 HD13 LEU A 81 6.292 10.851 -13.611 1.00 23.31 H new ATOM 0 HD21 LEU A 81 7.541 12.630 -11.427 1.00 51.34 H new ATOM 0 HD22 LEU A 81 7.359 13.131 -13.125 1.00 51.34 H new ATOM 0 HD23 LEU A 81 6.673 14.133 -11.824 1.00 51.34 H new ATOM 1269 N TYR A 82 3.273 14.395 -10.296 1.00 60.13 N ATOM 1270 CA TYR A 82 3.641 15.002 -9.023 1.00 31.45 C ATOM 1271 C TYR A 82 4.491 14.047 -8.190 1.00 33.34 C ATOM 1272 O TYR A 82 4.184 12.860 -8.080 1.00 33.41 O ATOM 1273 CB TYR A 82 2.387 15.399 -8.242 1.00 31.01 C ATOM 1274 CG TYR A 82 1.954 14.367 -7.225 1.00 4.21 C ATOM 1275 CD1 TYR A 82 2.373 14.449 -5.902 1.00 55.23 C ATOM 1276 CD2 TYR A 82 1.129 13.310 -7.586 1.00 72.14 C ATOM 1277 CE1 TYR A 82 1.981 13.509 -4.970 1.00 35.55 C ATOM 1278 CE2 TYR A 82 0.731 12.366 -6.660 1.00 74.51 C ATOM 1279 CZ TYR A 82 1.159 12.469 -5.353 1.00 62.02 C ATOM 1280 OH TYR A 82 0.766 11.529 -4.428 1.00 10.41 O ATOM 0 H TYR A 82 2.410 13.852 -10.271 1.00 60.13 H new ATOM 0 HA TYR A 82 4.229 15.896 -9.232 1.00 31.45 H new ATOM 0 HB2 TYR A 82 2.571 16.344 -7.732 1.00 31.01 H new ATOM 0 HB3 TYR A 82 1.571 15.569 -8.944 1.00 31.01 H new ATOM 0 HD1 TYR A 82 3.016 15.262 -5.598 1.00 55.23 H new ATOM 0 HD2 TYR A 82 0.793 13.225 -8.609 1.00 72.14 H new ATOM 0 HE1 TYR A 82 2.316 13.587 -3.946 1.00 35.55 H new ATOM 0 HE2 TYR A 82 0.088 11.551 -6.958 1.00 74.51 H new ATOM 0 HH TYR A 82 -0.102 11.156 -4.689 1.00 10.41 H new ATOM 1290 N ARG A 83 5.561 14.575 -7.604 1.00 74.21 N ATOM 1291 CA ARG A 83 6.456 13.771 -6.781 1.00 61.22 C ATOM 1292 C ARG A 83 6.617 14.385 -5.394 1.00 23.34 C ATOM 1293 O ARG A 83 7.406 15.309 -5.201 1.00 21.21 O ATOM 1294 CB ARG A 83 7.823 13.641 -7.455 1.00 63.30 C ATOM 1295 CG ARG A 83 8.420 12.246 -7.359 1.00 34.14 C ATOM 1296 CD ARG A 83 9.477 12.166 -6.269 1.00 11.24 C ATOM 1297 NE ARG A 83 9.349 10.950 -5.470 1.00 63.13 N ATOM 1298 CZ ARG A 83 10.060 10.713 -4.373 1.00 51.12 C ATOM 1299 NH1 ARG A 83 10.943 11.605 -3.946 1.00 63.31 N ATOM 1300 NH2 ARG A 83 9.887 9.582 -3.701 1.00 10.44 N ATOM 0 H ARG A 83 5.829 15.556 -7.684 1.00 74.21 H new ATOM 0 HA ARG A 83 6.017 12.780 -6.672 1.00 61.22 H new ATOM 0 HB2 ARG A 83 7.728 13.915 -8.506 1.00 63.30 H new ATOM 0 HB3 ARG A 83 8.512 14.354 -7.001 1.00 63.30 H new ATOM 0 HG2 ARG A 83 7.629 11.524 -7.154 1.00 34.14 H new ATOM 0 HG3 ARG A 83 8.862 11.972 -8.317 1.00 34.14 H new ATOM 0 HD2 ARG A 83 10.468 12.199 -6.722 1.00 11.24 H new ATOM 0 HD3 ARG A 83 9.394 13.037 -5.619 1.00 11.24 H new ATOM 0 HE ARG A 83 8.677 10.244 -5.771 1.00 63.13 H new ATOM 0 HH11 ARG A 83 11.078 12.476 -4.460 1.00 63.31 H new ATOM 0 HH12 ARG A 83 11.488 11.421 -3.103 1.00 63.31 H new ATOM 0 HH21 ARG A 83 9.208 8.894 -4.027 1.00 10.44 H new ATOM 0 HH22 ARG A 83 10.433 9.401 -2.859 1.00 10.44 H new ATOM 1314 N ASN A 84 5.864 13.864 -4.431 1.00 15.14 N ATOM 1315 CA ASN A 84 5.922 14.362 -3.061 1.00 30.30 C ATOM 1316 C ASN A 84 5.256 15.730 -2.950 1.00 74.33 C ATOM 1317 O ASN A 84 5.867 16.694 -2.492 1.00 54.33 O ATOM 1318 CB ASN A 84 7.375 14.450 -2.590 1.00 10.20 C ATOM 1319 CG ASN A 84 7.506 14.296 -1.087 1.00 60.10 C ATOM 1320 OD1 ASN A 84 6.753 14.899 -0.322 1.00 61.20 O ATOM 1321 ND2 ASN A 84 8.466 13.485 -0.657 1.00 50.31 N ATOM 0 H ASN A 84 5.207 13.097 -4.574 1.00 15.14 H new ATOM 0 HA ASN A 84 5.382 13.662 -2.423 1.00 30.30 H new ATOM 0 HB2 ASN A 84 7.962 13.676 -3.084 1.00 10.20 H new ATOM 0 HB3 ASN A 84 7.795 15.410 -2.892 1.00 10.20 H new ATOM 0 HD21 ASN A 84 8.602 13.342 0.344 1.00 50.31 H new ATOM 0 HD22 ASN A 84 9.067 13.006 -1.327 1.00 50.31 H new ATOM 1328 N GLY A 85 3.997 15.805 -3.373 1.00 42.11 N ATOM 1329 CA GLY A 85 3.268 17.059 -3.313 1.00 22.52 C ATOM 1330 C GLY A 85 3.956 18.167 -4.085 1.00 30.02 C ATOM 1331 O GLY A 85 3.913 19.329 -3.683 1.00 44.53 O ATOM 0 H GLY A 85 3.470 15.020 -3.756 1.00 42.11 H new ATOM 0 HA2 GLY A 85 2.264 16.912 -3.712 1.00 22.52 H new ATOM 0 HA3 GLY A 85 3.156 17.361 -2.272 1.00 22.52 H new ATOM 1335 N GLN A 86 4.592 17.806 -5.194 1.00 45.44 N ATOM 1336 CA GLN A 86 5.294 18.780 -6.023 1.00 24.25 C ATOM 1337 C GLN A 86 5.231 18.388 -7.495 1.00 43.01 C ATOM 1338 O GLN A 86 5.319 17.209 -7.837 1.00 50.32 O ATOM 1339 CB GLN A 86 6.753 18.903 -5.577 1.00 74.42 C ATOM 1340 CG GLN A 86 6.950 19.829 -4.388 1.00 33.41 C ATOM 1341 CD GLN A 86 8.170 20.716 -4.535 1.00 54.54 C ATOM 1342 OE1 GLN A 86 9.284 20.232 -4.734 1.00 70.14 O ATOM 1343 NE2 GLN A 86 7.965 22.025 -4.439 1.00 20.04 N ATOM 0 H GLN A 86 4.636 16.847 -5.540 1.00 45.44 H new ATOM 0 HA GLN A 86 4.802 19.745 -5.902 1.00 24.25 H new ATOM 0 HB2 GLN A 86 7.131 17.913 -5.322 1.00 74.42 H new ATOM 0 HB3 GLN A 86 7.350 19.267 -6.413 1.00 74.42 H new ATOM 0 HG2 GLN A 86 6.064 20.453 -4.268 1.00 33.41 H new ATOM 0 HG3 GLN A 86 7.046 19.233 -3.480 1.00 33.41 H new ATOM 0 HE21 GLN A 86 7.024 22.383 -4.273 1.00 20.04 H new ATOM 0 HE22 GLN A 86 8.748 22.672 -4.531 1.00 20.04 H new ATOM 1352 N GLU A 87 5.078 19.385 -8.362 1.00 23.54 N ATOM 1353 CA GLU A 87 5.002 19.142 -9.798 1.00 3.44 C ATOM 1354 C GLU A 87 6.398 19.037 -10.406 1.00 73.11 C ATOM 1355 O GLU A 87 7.256 19.887 -10.170 1.00 2.12 O ATOM 1356 CB GLU A 87 4.217 20.262 -10.485 1.00 64.51 C ATOM 1357 CG GLU A 87 4.760 21.651 -10.197 1.00 12.31 C ATOM 1358 CD GLU A 87 4.985 22.463 -11.458 1.00 35.11 C ATOM 1359 OE1 GLU A 87 6.147 22.832 -11.726 1.00 22.03 O ATOM 1360 OE2 GLU A 87 3.999 22.729 -12.176 1.00 54.23 O ATOM 0 H GLU A 87 5.004 20.367 -8.095 1.00 23.54 H new ATOM 0 HA GLU A 87 4.484 18.196 -9.955 1.00 3.44 H new ATOM 0 HB2 GLU A 87 4.227 20.093 -11.562 1.00 64.51 H new ATOM 0 HB3 GLU A 87 3.176 20.214 -10.164 1.00 64.51 H new ATOM 0 HG2 GLU A 87 4.064 22.181 -9.547 1.00 12.31 H new ATOM 0 HG3 GLU A 87 5.701 21.564 -9.653 1.00 12.31 H new ATOM 1367 N VAL A 88 6.617 17.987 -11.191 1.00 32.41 N ATOM 1368 CA VAL A 88 7.907 17.769 -11.834 1.00 71.03 C ATOM 1369 C VAL A 88 7.875 18.210 -13.293 1.00 52.23 C ATOM 1370 O VAL A 88 8.527 19.183 -13.673 1.00 12.24 O ATOM 1371 CB VAL A 88 8.325 16.288 -11.766 1.00 43.24 C ATOM 1372 CG1 VAL A 88 9.755 16.114 -12.256 1.00 72.01 C ATOM 1373 CG2 VAL A 88 8.170 15.755 -10.350 1.00 55.41 C ATOM 0 H VAL A 88 5.917 17.274 -11.397 1.00 32.41 H new ATOM 0 HA VAL A 88 8.637 18.370 -11.291 1.00 71.03 H new ATOM 0 HB VAL A 88 7.669 15.713 -12.420 1.00 43.24 H new ATOM 0 HG11 VAL A 88 10.033 15.061 -12.201 1.00 72.01 H new ATOM 0 HG12 VAL A 88 9.830 16.455 -13.288 1.00 72.01 H new ATOM 0 HG13 VAL A 88 10.428 16.700 -11.630 1.00 72.01 H new ATOM 0 HG21 VAL A 88 8.470 14.707 -10.321 1.00 55.41 H new ATOM 0 HG22 VAL A 88 8.800 16.332 -9.673 1.00 55.41 H new ATOM 0 HG23 VAL A 88 7.129 15.843 -10.040 1.00 55.41 H new ATOM 1383 N ARG A 89 7.112 17.488 -14.107 1.00 54.54 N ATOM 1384 CA ARG A 89 6.995 17.805 -15.526 1.00 13.03 C ATOM 1385 C ARG A 89 5.531 17.835 -15.957 1.00 64.33 C ATOM 1386 O ARG A 89 4.697 17.118 -15.405 1.00 75.14 O ATOM 1387 CB ARG A 89 7.764 16.782 -16.363 1.00 40.05 C ATOM 1388 CG ARG A 89 9.179 17.217 -16.708 1.00 51.51 C ATOM 1389 CD ARG A 89 9.182 18.472 -17.568 1.00 32.30 C ATOM 1390 NE ARG A 89 10.135 18.377 -18.671 1.00 13.03 N ATOM 1391 CZ ARG A 89 11.437 18.605 -18.539 1.00 33.34 C ATOM 1392 NH1 ARG A 89 11.938 18.938 -17.357 1.00 42.24 N ATOM 1393 NH2 ARG A 89 12.240 18.498 -19.589 1.00 40.53 N ATOM 0 H ARG A 89 6.566 16.680 -13.809 1.00 54.54 H new ATOM 0 HA ARG A 89 7.424 18.794 -15.689 1.00 13.03 H new ATOM 0 HB2 ARG A 89 7.806 15.838 -15.819 1.00 40.05 H new ATOM 0 HB3 ARG A 89 7.215 16.594 -17.286 1.00 40.05 H new ATOM 0 HG2 ARG A 89 9.738 17.402 -15.791 1.00 51.51 H new ATOM 0 HG3 ARG A 89 9.690 16.412 -17.236 1.00 51.51 H new ATOM 0 HD2 ARG A 89 8.182 18.641 -17.967 1.00 32.30 H new ATOM 0 HD3 ARG A 89 9.428 19.335 -16.949 1.00 32.30 H new ATOM 0 HE ARG A 89 9.781 18.122 -19.593 1.00 13.03 H new ATOM 0 HH11 ARG A 89 11.323 19.019 -16.547 1.00 42.24 H new ATOM 0 HH12 ARG A 89 12.938 19.113 -17.258 1.00 42.24 H new ATOM 0 HH21 ARG A 89 11.858 18.240 -20.499 1.00 40.53 H new ATOM 0 HH22 ARG A 89 13.240 18.673 -19.487 1.00 40.53 H new ATOM 1407 N ARG A 90 5.229 18.669 -16.947 1.00 35.14 N ATOM 1408 CA ARG A 90 3.866 18.793 -17.451 1.00 3.31 C ATOM 1409 C ARG A 90 3.858 19.406 -18.849 1.00 32.45 C ATOM 1410 O ARG A 90 4.600 20.347 -19.129 1.00 71.33 O ATOM 1411 CB ARG A 90 3.025 19.649 -16.502 1.00 52.24 C ATOM 1412 CG ARG A 90 1.719 20.131 -17.113 1.00 43.44 C ATOM 1413 CD ARG A 90 1.829 21.568 -17.600 1.00 61.11 C ATOM 1414 NE ARG A 90 0.553 22.273 -17.516 1.00 40.23 N ATOM 1415 CZ ARG A 90 0.319 23.442 -18.103 1.00 63.21 C ATOM 1416 NH1 ARG A 90 1.270 24.033 -18.813 1.00 64.21 N ATOM 1417 NH2 ARG A 90 -0.868 24.021 -17.981 1.00 10.43 N ATOM 0 H ARG A 90 5.909 19.268 -17.415 1.00 35.14 H new ATOM 0 HA ARG A 90 3.433 17.794 -17.508 1.00 3.31 H new ATOM 0 HB2 ARG A 90 2.805 19.072 -15.604 1.00 52.24 H new ATOM 0 HB3 ARG A 90 3.611 20.513 -16.190 1.00 52.24 H new ATOM 0 HG2 ARG A 90 1.445 19.483 -17.946 1.00 43.44 H new ATOM 0 HG3 ARG A 90 0.921 20.056 -16.374 1.00 43.44 H new ATOM 0 HD2 ARG A 90 2.575 22.096 -17.006 1.00 61.11 H new ATOM 0 HD3 ARG A 90 2.180 21.575 -18.632 1.00 61.11 H new ATOM 0 HE ARG A 90 -0.200 21.845 -16.977 1.00 40.23 H new ATOM 0 HH11 ARG A 90 2.184 23.590 -18.910 1.00 64.21 H new ATOM 0 HH12 ARG A 90 1.088 24.930 -19.263 1.00 64.21 H new ATOM 0 HH21 ARG A 90 -1.602 23.569 -17.436 1.00 10.43 H new ATOM 0 HH22 ARG A 90 -1.047 24.918 -18.432 1.00 10.43 H new ATOM 1431 N SER A 91 3.014 18.864 -19.721 1.00 15.50 N ATOM 1432 CA SER A 91 2.911 19.354 -21.091 1.00 4.44 C ATOM 1433 C SER A 91 1.620 18.872 -21.745 1.00 45.13 C ATOM 1434 O SER A 91 1.310 17.681 -21.726 1.00 72.32 O ATOM 1435 CB SER A 91 4.117 18.892 -21.911 1.00 74.34 C ATOM 1436 OG SER A 91 4.462 19.851 -22.896 1.00 30.13 O ATOM 0 H SER A 91 2.392 18.086 -19.504 1.00 15.50 H new ATOM 0 HA SER A 91 2.897 20.444 -21.062 1.00 4.44 H new ATOM 0 HB2 SER A 91 4.967 18.723 -21.250 1.00 74.34 H new ATOM 0 HB3 SER A 91 3.892 17.939 -22.390 1.00 74.34 H new ATOM 0 HG SER A 91 3.646 20.219 -23.294 1.00 30.13 H new ATOM 1442 N ILE A 92 0.873 19.806 -22.323 1.00 50.15 N ATOM 1443 CA ILE A 92 -0.383 19.477 -22.985 1.00 15.00 C ATOM 1444 C ILE A 92 -0.343 19.856 -24.462 1.00 30.24 C ATOM 1445 O ILE A 92 0.239 20.872 -24.837 1.00 3.53 O ATOM 1446 CB ILE A 92 -1.575 20.188 -22.317 1.00 2.44 C ATOM 1447 CG1 ILE A 92 -2.895 19.635 -22.856 1.00 33.00 C ATOM 1448 CG2 ILE A 92 -1.491 21.690 -22.545 1.00 2.20 C ATOM 1449 CD1 ILE A 92 -3.434 20.405 -24.042 1.00 23.33 C ATOM 0 H ILE A 92 1.116 20.796 -22.346 1.00 50.15 H new ATOM 0 HA ILE A 92 -0.515 18.399 -22.892 1.00 15.00 H new ATOM 0 HB ILE A 92 -1.536 20.000 -21.244 1.00 2.44 H new ATOM 0 HG12 ILE A 92 -2.753 18.593 -23.144 1.00 33.00 H new ATOM 0 HG13 ILE A 92 -3.637 19.647 -22.058 1.00 33.00 H new ATOM 0 HG21 ILE A 92 -2.340 22.179 -22.067 1.00 2.20 H new ATOM 0 HG22 ILE A 92 -0.564 22.072 -22.117 1.00 2.20 H new ATOM 0 HG23 ILE A 92 -1.508 21.897 -23.615 1.00 2.20 H new ATOM 0 HD11 ILE A 92 -4.372 19.957 -24.371 1.00 23.33 H new ATOM 0 HD12 ILE A 92 -3.609 21.442 -23.754 1.00 23.33 H new ATOM 0 HD13 ILE A 92 -2.710 20.372 -24.857 1.00 23.33 H new ATOM 1461 N GLY A 93 -0.968 19.031 -25.296 1.00 71.41 N ATOM 1462 CA GLY A 93 -0.993 19.297 -26.722 1.00 72.25 C ATOM 1463 C GLY A 93 0.070 18.522 -27.476 1.00 1.24 C ATOM 1464 O GLY A 93 0.732 19.065 -28.360 1.00 22.34 O ATOM 0 H GLY A 93 -1.457 18.183 -25.010 1.00 71.41 H new ATOM 0 HA2 GLY A 93 -1.975 19.041 -27.119 1.00 72.25 H new ATOM 0 HA3 GLY A 93 -0.849 20.364 -26.892 1.00 72.25 H new ATOM 1468 N GLU A 94 0.235 17.251 -27.124 1.00 32.13 N ATOM 1469 CA GLU A 94 1.228 16.402 -27.772 1.00 15.00 C ATOM 1470 C GLU A 94 2.640 16.910 -27.497 1.00 61.15 C ATOM 1471 O GLU A 94 3.019 17.995 -27.939 1.00 5.21 O ATOM 1472 CB GLU A 94 0.978 16.348 -29.281 1.00 35.45 C ATOM 1473 CG GLU A 94 1.777 15.269 -29.992 1.00 24.15 C ATOM 1474 CD GLU A 94 2.079 15.622 -31.435 1.00 3.41 C ATOM 1475 OE1 GLU A 94 1.181 16.165 -32.112 1.00 62.14 O ATOM 1476 OE2 GLU A 94 3.212 15.357 -31.887 1.00 24.51 O ATOM 0 H GLU A 94 -0.306 16.787 -26.394 1.00 32.13 H new ATOM 0 HA GLU A 94 1.135 15.397 -27.359 1.00 15.00 H new ATOM 0 HB2 GLU A 94 -0.084 16.179 -29.459 1.00 35.45 H new ATOM 0 HB3 GLU A 94 1.224 17.317 -29.716 1.00 35.45 H new ATOM 0 HG2 GLU A 94 2.713 15.105 -29.459 1.00 24.15 H new ATOM 0 HG3 GLU A 94 1.223 14.331 -29.960 1.00 24.15 H new ATOM 1483 N THR A 95 3.416 16.117 -26.764 1.00 53.13 N ATOM 1484 CA THR A 95 4.785 16.486 -26.429 1.00 22.33 C ATOM 1485 C THR A 95 5.631 15.251 -26.137 1.00 11.41 C ATOM 1486 O THR A 95 5.151 14.122 -26.230 1.00 73.13 O ATOM 1487 CB THR A 95 4.831 17.426 -25.209 1.00 63.42 C ATOM 1488 OG1 THR A 95 3.503 17.801 -24.830 1.00 14.04 O ATOM 1489 CG2 THR A 95 5.647 18.672 -25.517 1.00 65.20 C ATOM 0 H THR A 95 3.119 15.215 -26.391 1.00 53.13 H new ATOM 0 HA THR A 95 5.193 17.007 -27.295 1.00 22.33 H new ATOM 0 HB THR A 95 5.307 16.894 -24.385 1.00 63.42 H new ATOM 0 HG1 THR A 95 3.450 18.776 -24.747 1.00 14.04 H new ATOM 0 HG21 THR A 95 5.665 19.321 -24.641 1.00 65.20 H new ATOM 0 HG22 THR A 95 6.666 18.385 -25.777 1.00 65.20 H new ATOM 0 HG23 THR A 95 5.195 19.205 -26.354 1.00 65.20 H new ATOM 1497 N SER A 96 6.892 15.474 -25.782 1.00 45.44 N ATOM 1498 CA SER A 96 7.806 14.379 -25.480 1.00 4.23 C ATOM 1499 C SER A 96 8.793 14.781 -24.387 1.00 51.05 C ATOM 1500 O SER A 96 8.766 14.265 -23.270 1.00 75.21 O ATOM 1501 CB SER A 96 8.566 13.958 -26.739 1.00 61.11 C ATOM 1502 OG SER A 96 8.066 12.735 -27.251 1.00 52.14 O ATOM 0 H SER A 96 7.304 16.403 -25.696 1.00 45.44 H new ATOM 0 HA SER A 96 7.216 13.535 -25.121 1.00 4.23 H new ATOM 0 HB2 SER A 96 8.479 14.736 -27.497 1.00 61.11 H new ATOM 0 HB3 SER A 96 9.626 13.853 -26.510 1.00 61.11 H new ATOM 0 HG SER A 96 8.567 12.488 -28.056 1.00 52.14 H new ATOM 1508 N PRO A 97 9.687 15.725 -24.717 1.00 13.31 N ATOM 1509 CA PRO A 97 10.699 16.219 -23.779 1.00 21.24 C ATOM 1510 C PRO A 97 10.091 17.048 -22.653 1.00 50.40 C ATOM 1511 O PRO A 97 10.754 17.344 -21.659 1.00 32.43 O ATOM 1512 CB PRO A 97 11.602 17.089 -24.656 1.00 61.15 C ATOM 1513 CG PRO A 97 10.731 17.521 -25.785 1.00 71.10 C ATOM 1514 CD PRO A 97 9.777 16.384 -26.031 1.00 3.54 C ATOM 0 HA PRO A 97 11.224 15.404 -23.280 1.00 21.24 H new ATOM 0 HB2 PRO A 97 11.986 17.946 -24.102 1.00 61.15 H new ATOM 0 HB3 PRO A 97 12.465 16.528 -25.014 1.00 61.15 H new ATOM 0 HG2 PRO A 97 10.192 18.435 -25.535 1.00 71.10 H new ATOM 0 HG3 PRO A 97 11.323 17.733 -26.675 1.00 71.10 H new ATOM 0 HD2 PRO A 97 8.804 16.741 -26.369 1.00 3.54 H new ATOM 0 HD3 PRO A 97 10.151 15.704 -26.797 1.00 3.54 H new ATOM 1522 N SER A 98 8.826 17.421 -22.816 1.00 54.41 N ATOM 1523 CA SER A 98 8.129 18.220 -21.815 1.00 0.24 C ATOM 1524 C SER A 98 7.262 17.337 -20.922 1.00 42.11 C ATOM 1525 O SER A 98 7.410 17.335 -19.700 1.00 42.35 O ATOM 1526 CB SER A 98 7.264 19.285 -22.492 1.00 63.01 C ATOM 1527 OG SER A 98 6.713 20.177 -21.539 1.00 5.13 O ATOM 0 H SER A 98 8.263 17.183 -23.632 1.00 54.41 H new ATOM 0 HA SER A 98 8.878 18.712 -21.194 1.00 0.24 H new ATOM 0 HB2 SER A 98 7.864 19.842 -23.211 1.00 63.01 H new ATOM 0 HB3 SER A 98 6.461 18.804 -23.051 1.00 63.01 H new ATOM 0 HG SER A 98 5.899 20.583 -21.904 1.00 5.13 H new ATOM 1533 N ALA A 99 6.357 16.588 -21.542 1.00 71.54 N ATOM 1534 CA ALA A 99 5.467 15.698 -20.806 1.00 42.30 C ATOM 1535 C ALA A 99 6.122 14.342 -20.566 1.00 52.11 C ATOM 1536 O ALA A 99 6.383 13.961 -19.424 1.00 71.54 O ATOM 1537 CB ALA A 99 4.154 15.527 -21.555 1.00 13.53 C ATOM 0 H ALA A 99 6.220 16.579 -22.553 1.00 71.54 H new ATOM 0 HA ALA A 99 5.263 16.150 -19.835 1.00 42.30 H new ATOM 0 HB1 ALA A 99 3.499 14.860 -20.994 1.00 13.53 H new ATOM 0 HB2 ALA A 99 3.671 16.498 -21.669 1.00 13.53 H new ATOM 0 HB3 ALA A 99 4.349 15.101 -22.539 1.00 13.53 H new ATOM 1543 N LEU A 100 6.384 13.617 -21.648 1.00 40.41 N ATOM 1544 CA LEU A 100 7.008 12.302 -21.555 1.00 41.11 C ATOM 1545 C LEU A 100 8.259 12.353 -20.684 1.00 11.14 C ATOM 1546 O LEU A 100 8.684 11.339 -20.130 1.00 71.04 O ATOM 1547 CB LEU A 100 7.365 11.786 -22.950 1.00 63.40 C ATOM 1548 CG LEU A 100 8.569 10.845 -23.030 1.00 15.51 C ATOM 1549 CD1 LEU A 100 8.275 9.540 -22.307 1.00 0.22 C ATOM 1550 CD2 LEU A 100 8.943 10.581 -24.481 1.00 23.12 C ATOM 0 H LEU A 100 6.174 13.918 -22.600 1.00 40.41 H new ATOM 0 HA LEU A 100 6.294 11.620 -21.093 1.00 41.11 H new ATOM 0 HB2 LEU A 100 6.497 11.268 -23.357 1.00 63.40 H new ATOM 0 HB3 LEU A 100 7.556 12.644 -23.595 1.00 63.40 H new ATOM 0 HG LEU A 100 9.415 11.325 -22.539 1.00 15.51 H new ATOM 0 HD11 LEU A 100 9.142 8.883 -22.374 1.00 0.22 H new ATOM 0 HD12 LEU A 100 8.056 9.746 -21.259 1.00 0.22 H new ATOM 0 HD13 LEU A 100 7.415 9.054 -22.768 1.00 0.22 H new ATOM 0 HD21 LEU A 100 9.801 9.910 -24.519 1.00 23.12 H new ATOM 0 HD22 LEU A 100 8.100 10.121 -24.996 1.00 23.12 H new ATOM 0 HD23 LEU A 100 9.197 11.522 -24.968 1.00 23.12 H new ATOM 1562 N SER A 101 8.843 13.541 -20.564 1.00 53.34 N ATOM 1563 CA SER A 101 10.046 13.725 -19.761 1.00 71.52 C ATOM 1564 C SER A 101 9.808 13.288 -18.319 1.00 11.02 C ATOM 1565 O SER A 101 10.753 13.047 -17.567 1.00 40.35 O ATOM 1566 CB SER A 101 10.490 15.188 -19.796 1.00 41.14 C ATOM 1567 OG SER A 101 11.754 15.323 -20.423 1.00 72.42 O ATOM 0 H SER A 101 8.502 14.391 -21.013 1.00 53.34 H new ATOM 0 HA SER A 101 10.835 13.104 -20.185 1.00 71.52 H new ATOM 0 HB2 SER A 101 9.750 15.783 -20.331 1.00 41.14 H new ATOM 0 HB3 SER A 101 10.541 15.580 -18.780 1.00 41.14 H new ATOM 0 HG SER A 101 11.817 16.205 -20.846 1.00 72.42 H new ATOM 1573 N ASP A 102 8.539 13.188 -17.939 1.00 53.35 N ATOM 1574 CA ASP A 102 8.175 12.780 -16.588 1.00 35.13 C ATOM 1575 C ASP A 102 8.133 11.259 -16.472 1.00 4.40 C ATOM 1576 O ASP A 102 8.279 10.705 -15.382 1.00 54.12 O ATOM 1577 CB ASP A 102 6.817 13.370 -16.202 1.00 2.10 C ATOM 1578 CG ASP A 102 5.658 12.556 -16.742 1.00 14.41 C ATOM 1579 OD1 ASP A 102 5.758 12.067 -17.887 1.00 20.45 O ATOM 1580 OD2 ASP A 102 4.650 12.409 -16.020 1.00 30.45 O ATOM 0 H ASP A 102 7.745 13.384 -18.548 1.00 53.35 H new ATOM 0 HA ASP A 102 8.935 13.158 -15.904 1.00 35.13 H new ATOM 0 HB2 ASP A 102 6.744 13.425 -15.116 1.00 2.10 H new ATOM 0 HB3 ASP A 102 6.747 14.391 -16.579 1.00 2.10 H new ATOM 1585 N PHE A 103 7.933 10.590 -17.603 1.00 4.24 N ATOM 1586 CA PHE A 103 7.871 9.134 -17.628 1.00 31.51 C ATOM 1587 C PHE A 103 9.268 8.531 -17.746 1.00 11.14 C ATOM 1588 O PHE A 103 9.507 7.401 -17.318 1.00 62.24 O ATOM 1589 CB PHE A 103 6.999 8.660 -18.793 1.00 21.54 C ATOM 1590 CG PHE A 103 6.108 7.502 -18.442 1.00 42.13 C ATOM 1591 CD1 PHE A 103 5.188 7.606 -17.412 1.00 1.24 C ATOM 1592 CD2 PHE A 103 6.191 6.310 -19.143 1.00 64.23 C ATOM 1593 CE1 PHE A 103 4.366 6.543 -17.087 1.00 5.21 C ATOM 1594 CE2 PHE A 103 5.372 5.244 -18.823 1.00 61.34 C ATOM 1595 CZ PHE A 103 4.459 5.360 -17.793 1.00 45.02 C ATOM 0 H PHE A 103 7.811 11.033 -18.514 1.00 4.24 H new ATOM 0 HA PHE A 103 7.428 8.798 -16.690 1.00 31.51 H new ATOM 0 HB2 PHE A 103 6.383 9.491 -19.137 1.00 21.54 H new ATOM 0 HB3 PHE A 103 7.642 8.374 -19.625 1.00 21.54 H new ATOM 0 HD1 PHE A 103 5.112 8.529 -16.856 1.00 1.24 H new ATOM 0 HD2 PHE A 103 6.904 6.213 -19.949 1.00 64.23 H new ATOM 0 HE1 PHE A 103 3.652 6.638 -16.282 1.00 5.21 H new ATOM 0 HE2 PHE A 103 5.446 4.320 -19.378 1.00 61.34 H new ATOM 0 HZ PHE A 103 3.819 4.527 -17.540 1.00 45.02 H new ATOM 1605 N LEU A 104 10.187 9.293 -18.328 1.00 51.21 N ATOM 1606 CA LEU A 104 11.561 8.836 -18.503 1.00 61.23 C ATOM 1607 C LEU A 104 12.392 9.119 -17.256 1.00 64.31 C ATOM 1608 O LEU A 104 13.468 8.548 -17.070 1.00 52.22 O ATOM 1609 CB LEU A 104 12.195 9.516 -19.718 1.00 0.42 C ATOM 1610 CG LEU A 104 13.720 9.451 -19.804 1.00 23.03 C ATOM 1611 CD1 LEU A 104 14.185 8.012 -19.963 1.00 33.40 C ATOM 1612 CD2 LEU A 104 14.227 10.307 -20.955 1.00 52.31 C ATOM 0 H LEU A 104 10.006 10.230 -18.687 1.00 51.21 H new ATOM 0 HA LEU A 104 11.541 7.759 -18.667 1.00 61.23 H new ATOM 0 HB2 LEU A 104 11.781 9.064 -20.619 1.00 0.42 H new ATOM 0 HB3 LEU A 104 11.895 10.564 -19.720 1.00 0.42 H new ATOM 0 HG LEU A 104 14.134 9.845 -18.875 1.00 23.03 H new ATOM 0 HD11 LEU A 104 15.273 7.986 -20.023 1.00 33.40 H new ATOM 0 HD12 LEU A 104 13.854 7.426 -19.106 1.00 33.40 H new ATOM 0 HD13 LEU A 104 13.762 7.591 -20.875 1.00 33.40 H new ATOM 0 HD21 LEU A 104 15.314 10.248 -21.001 1.00 52.31 H new ATOM 0 HD22 LEU A 104 13.804 9.944 -21.892 1.00 52.31 H new ATOM 0 HD23 LEU A 104 13.926 11.343 -20.798 1.00 52.31 H new ATOM 1624 N THR A 105 11.886 10.002 -16.401 1.00 41.45 N ATOM 1625 CA THR A 105 12.581 10.360 -15.171 1.00 54.42 C ATOM 1626 C THR A 105 11.686 10.152 -13.954 1.00 64.14 C ATOM 1627 O THR A 105 12.032 10.551 -12.842 1.00 45.04 O ATOM 1628 CB THR A 105 13.056 11.825 -15.200 1.00 55.41 C ATOM 1629 OG1 THR A 105 13.068 12.310 -16.548 1.00 22.24 O ATOM 1630 CG2 THR A 105 14.446 11.956 -14.596 1.00 35.31 C ATOM 0 H THR A 105 10.997 10.483 -16.538 1.00 41.45 H new ATOM 0 HA THR A 105 13.450 9.706 -15.097 1.00 54.42 H new ATOM 0 HB THR A 105 12.362 12.420 -14.606 1.00 55.41 H new ATOM 0 HG1 THR A 105 12.151 12.505 -16.834 1.00 22.24 H new ATOM 0 HG21 THR A 105 14.760 12.999 -14.628 1.00 35.31 H new ATOM 0 HG22 THR A 105 14.427 11.614 -13.561 1.00 35.31 H new ATOM 0 HG23 THR A 105 15.149 11.348 -15.166 1.00 35.31 H new ATOM 1638 N ARG A 106 10.536 9.524 -14.172 1.00 75.02 N ATOM 1639 CA ARG A 106 9.591 9.263 -13.092 1.00 43.05 C ATOM 1640 C ARG A 106 9.288 10.540 -12.315 1.00 2.42 C ATOM 1641 O ARG A 106 9.936 10.836 -11.311 1.00 23.13 O ATOM 1642 CB ARG A 106 10.147 8.197 -12.147 1.00 4.15 C ATOM 1643 CG ARG A 106 9.332 8.025 -10.876 1.00 15.23 C ATOM 1644 CD ARG A 106 10.119 8.450 -9.646 1.00 41.22 C ATOM 1645 NE ARG A 106 10.846 7.333 -9.049 1.00 2.30 N ATOM 1646 CZ ARG A 106 10.286 6.438 -8.243 1.00 13.40 C ATOM 1647 NH1 ARG A 106 8.998 6.529 -7.940 1.00 21.10 N ATOM 1648 NH2 ARG A 106 11.013 5.450 -7.739 1.00 4.13 N ATOM 0 H ARG A 106 10.235 9.186 -15.086 1.00 75.02 H new ATOM 0 HA ARG A 106 8.663 8.899 -13.534 1.00 43.05 H new ATOM 0 HB2 ARG A 106 10.189 7.243 -12.673 1.00 4.15 H new ATOM 0 HB3 ARG A 106 11.171 8.459 -11.879 1.00 4.15 H new ATOM 0 HG2 ARG A 106 8.418 8.615 -10.946 1.00 15.23 H new ATOM 0 HG3 ARG A 106 9.031 6.982 -10.774 1.00 15.23 H new ATOM 0 HD2 ARG A 106 10.823 9.236 -9.920 1.00 41.22 H new ATOM 0 HD3 ARG A 106 9.438 8.875 -8.909 1.00 41.22 H new ATOM 0 HE ARG A 106 11.838 7.235 -9.263 1.00 2.30 H new ATOM 0 HH11 ARG A 106 8.436 7.287 -8.326 1.00 21.10 H new ATOM 0 HH12 ARG A 106 8.570 5.841 -7.321 1.00 21.10 H new ATOM 0 HH21 ARG A 106 12.004 5.377 -7.970 1.00 4.13 H new ATOM 0 HH22 ARG A 106 10.581 4.764 -7.120 1.00 4.13 H new