USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot 29:sc= 0.0695 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.00079) USER MOD Single : A 7 TYR OH : rot 30:sc= -1.8 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0285 X(o=-0.029,f=0) USER MOD Single : A 17 THR OG1 : rot 66:sc= 1.27 USER MOD Single : A 24 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 107:sc= -0.0343 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.31 K(o=-1.3,f=-7.9!) USER MOD Single : A 54 GLN : amide:sc= -0.0662 K(o=-0.066,f=-2.5!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.0608 X(o=-0.061,f=0.15) USER MOD Single : A 62 SER OG : rot 126:sc= 0.196 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.0679 X(o=-0.068,f=0.004) USER MOD Single : A 89 GLN : amide:sc= -0.0338 X(o=-0.034,f=-0.086) USER MOD Single : A 92 HIS : no HD1:sc=-0.00278 X(o=-0.0028,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 22 N SER A 3 6.158 -1.232 -4.368 1.00 32.23 N ATOM 23 CA SER A 3 6.593 -2.339 -3.524 1.00 2.23 C ATOM 24 C SER A 3 8.097 -2.563 -3.654 1.00 53.50 C ATOM 25 O SER A 3 8.587 -3.676 -3.467 1.00 42.43 O ATOM 26 CB SER A 3 5.842 -3.618 -3.896 1.00 74.30 C ATOM 27 OG SER A 3 4.442 -3.446 -3.757 1.00 31.44 O ATOM 0 HA SER A 3 6.369 -2.083 -2.488 1.00 2.23 H new ATOM 0 HB2 SER A 3 6.077 -3.896 -4.923 1.00 74.30 H new ATOM 0 HB3 SER A 3 6.176 -4.438 -3.260 1.00 74.30 H new ATOM 0 HG SER A 3 4.211 -2.507 -3.914 1.00 31.44 H new ATOM 33 N GLN A 4 8.822 -1.496 -3.976 1.00 14.02 N ATOM 34 CA GLN A 4 10.269 -1.576 -4.132 1.00 41.50 C ATOM 35 C GLN A 4 10.952 -1.772 -2.783 1.00 23.13 C ATOM 36 O GLN A 4 10.780 -0.968 -1.866 1.00 35.41 O ATOM 37 CB GLN A 4 10.801 -0.310 -4.807 1.00 12.24 C ATOM 38 CG GLN A 4 10.157 -0.021 -6.153 1.00 34.41 C ATOM 39 CD GLN A 4 11.074 0.742 -7.087 1.00 41.33 C ATOM 40 OE1 GLN A 4 11.921 0.155 -7.762 1.00 12.24 O ATOM 41 NE2 GLN A 4 10.910 2.059 -7.133 1.00 4.35 N ATOM 0 H GLN A 4 8.431 -0.567 -4.134 1.00 14.02 H new ATOM 0 HA GLN A 4 10.494 -2.437 -4.761 1.00 41.50 H new ATOM 0 HB2 GLN A 4 10.637 0.541 -4.145 1.00 12.24 H new ATOM 0 HB3 GLN A 4 11.878 -0.406 -4.942 1.00 12.24 H new ATOM 0 HG2 GLN A 4 9.868 -0.961 -6.622 1.00 34.41 H new ATOM 0 HG3 GLN A 4 9.243 0.553 -5.998 1.00 34.41 H new ATOM 0 HE21 GLN A 4 10.196 2.504 -6.557 1.00 4.35 H new ATOM 0 HE22 GLN A 4 11.498 2.625 -7.745 1.00 4.35 H new ATOM 50 N ILE A 5 11.727 -2.845 -2.668 1.00 64.24 N ATOM 51 CA ILE A 5 12.437 -3.146 -1.431 1.00 73.32 C ATOM 52 C ILE A 5 13.919 -3.393 -1.693 1.00 54.21 C ATOM 53 O ILE A 5 14.292 -3.965 -2.718 1.00 4.33 O ATOM 54 CB ILE A 5 11.840 -4.378 -0.726 1.00 32.35 C ATOM 55 CG1 ILE A 5 10.314 -4.273 -0.671 1.00 43.32 C ATOM 56 CG2 ILE A 5 12.417 -4.518 0.675 1.00 12.33 C ATOM 57 CD1 ILE A 5 9.819 -3.027 0.030 1.00 45.13 C ATOM 0 H ILE A 5 11.879 -3.521 -3.417 1.00 64.24 H new ATOM 0 HA ILE A 5 12.325 -2.276 -0.783 1.00 73.32 H new ATOM 0 HB ILE A 5 12.104 -5.268 -1.298 1.00 32.35 H new ATOM 0 HG12 ILE A 5 9.920 -4.289 -1.687 1.00 43.32 H new ATOM 0 HG13 ILE A 5 9.916 -5.150 -0.161 1.00 43.32 H new ATOM 0 HG21 ILE A 5 11.985 -5.393 1.160 1.00 12.33 H new ATOM 0 HG22 ILE A 5 13.499 -4.634 0.613 1.00 12.33 H new ATOM 0 HG23 ILE A 5 12.181 -3.627 1.257 1.00 12.33 H new ATOM 0 HD11 ILE A 5 8.729 -3.019 0.031 1.00 45.13 H new ATOM 0 HD12 ILE A 5 10.183 -3.018 1.057 1.00 45.13 H new ATOM 0 HD13 ILE A 5 10.188 -2.145 -0.493 1.00 45.13 H new ATOM 69 N HIS A 6 14.759 -2.959 -0.759 1.00 62.11 N ATOM 70 CA HIS A 6 16.202 -3.135 -0.888 1.00 15.34 C ATOM 71 C HIS A 6 16.729 -4.093 0.176 1.00 10.12 C ATOM 72 O HIS A 6 16.127 -4.249 1.239 1.00 50.41 O ATOM 73 CB HIS A 6 16.913 -1.786 -0.774 1.00 31.13 C ATOM 74 CG HIS A 6 16.750 -1.134 0.565 1.00 70.13 C ATOM 75 ND1 HIS A 6 15.845 -0.121 0.803 1.00 21.33 N ATOM 76 CD2 HIS A 6 17.382 -1.357 1.741 1.00 53.11 C ATOM 77 CE1 HIS A 6 15.928 0.252 2.068 1.00 65.22 C ATOM 78 NE2 HIS A 6 16.853 -0.483 2.659 1.00 44.11 N ATOM 0 H HIS A 6 14.466 -2.483 0.095 1.00 62.11 H new ATOM 0 HA HIS A 6 16.406 -3.563 -1.870 1.00 15.34 H new ATOM 0 HB2 HIS A 6 17.975 -1.927 -0.974 1.00 31.13 H new ATOM 0 HB3 HIS A 6 16.530 -1.116 -1.544 1.00 31.13 H new ATOM 0 HD2 HIS A 6 18.158 -2.086 1.923 1.00 53.11 H new ATOM 0 HE1 HIS A 6 15.340 1.026 2.539 1.00 65.22 H new ATOM 0 HE2 HIS A 6 17.130 -0.413 3.638 1.00 44.11 H new ATOM 86 N TYR A 7 17.855 -4.733 -0.117 1.00 45.43 N ATOM 87 CA TYR A 7 18.462 -5.678 0.812 1.00 30.04 C ATOM 88 C TYR A 7 19.983 -5.651 0.702 1.00 44.11 C ATOM 89 O TYR A 7 20.535 -5.293 -0.339 1.00 1.15 O ATOM 90 CB TYR A 7 17.945 -7.092 0.544 1.00 61.41 C ATOM 91 CG TYR A 7 16.461 -7.251 0.786 1.00 22.04 C ATOM 92 CD1 TYR A 7 15.539 -6.952 -0.209 1.00 11.31 C ATOM 93 CD2 TYR A 7 15.981 -7.699 2.011 1.00 61.12 C ATOM 94 CE1 TYR A 7 14.182 -7.094 0.008 1.00 21.31 C ATOM 95 CE2 TYR A 7 14.626 -7.846 2.236 1.00 22.22 C ATOM 96 CZ TYR A 7 13.731 -7.542 1.232 1.00 33.41 C ATOM 97 OH TYR A 7 12.380 -7.686 1.453 1.00 22.22 O ATOM 0 H TYR A 7 18.366 -4.614 -0.992 1.00 45.43 H new ATOM 0 HA TYR A 7 18.184 -5.382 1.824 1.00 30.04 H new ATOM 0 HB2 TYR A 7 18.167 -7.361 -0.489 1.00 61.41 H new ATOM 0 HB3 TYR A 7 18.485 -7.794 1.179 1.00 61.41 H new ATOM 0 HD1 TYR A 7 15.889 -6.602 -1.169 1.00 11.31 H new ATOM 0 HD2 TYR A 7 16.679 -7.936 2.800 1.00 61.12 H new ATOM 0 HE1 TYR A 7 13.479 -6.856 -0.776 1.00 21.31 H new ATOM 0 HE2 TYR A 7 14.270 -8.197 3.193 1.00 22.22 H new ATOM 0 HH TYR A 7 11.932 -7.904 0.609 1.00 22.22 H new ATOM 107 N SER A 8 20.656 -6.033 1.783 1.00 15.22 N ATOM 108 CA SER A 8 22.113 -6.050 1.811 1.00 44.24 C ATOM 109 C SER A 8 22.634 -7.442 2.156 1.00 1.41 C ATOM 110 O SER A 8 22.284 -8.007 3.192 1.00 20.43 O ATOM 111 CB SER A 8 22.637 -5.031 2.824 1.00 4.41 C ATOM 112 OG SER A 8 21.689 -4.002 3.050 1.00 62.01 O ATOM 0 H SER A 8 20.214 -6.335 2.651 1.00 15.22 H new ATOM 0 HA SER A 8 22.474 -5.782 0.818 1.00 44.24 H new ATOM 0 HB2 SER A 8 22.865 -5.533 3.764 1.00 4.41 H new ATOM 0 HB3 SER A 8 23.569 -4.598 2.460 1.00 4.41 H new ATOM 0 HG SER A 8 22.047 -3.365 3.702 1.00 62.01 H new ATOM 118 N ILE A 9 23.472 -7.987 1.281 1.00 72.01 N ATOM 119 CA ILE A 9 24.042 -9.312 1.493 1.00 10.42 C ATOM 120 C ILE A 9 25.480 -9.378 0.991 1.00 62.04 C ATOM 121 O ILE A 9 25.759 -9.196 -0.195 1.00 11.44 O ATOM 122 CB ILE A 9 23.213 -10.401 0.788 1.00 72.10 C ATOM 123 CG1 ILE A 9 23.975 -11.728 0.780 1.00 42.43 C ATOM 124 CG2 ILE A 9 22.871 -9.971 -0.631 1.00 22.41 C ATOM 125 CD1 ILE A 9 23.204 -12.864 0.146 1.00 72.00 C ATOM 0 H ILE A 9 23.771 -7.532 0.419 1.00 72.01 H new ATOM 0 HA ILE A 9 24.026 -9.494 2.568 1.00 10.42 H new ATOM 0 HB ILE A 9 22.283 -10.542 1.338 1.00 72.10 H new ATOM 0 HG12 ILE A 9 24.915 -11.595 0.245 1.00 42.43 H new ATOM 0 HG13 ILE A 9 24.228 -11.999 1.805 1.00 42.43 H new ATOM 0 HG21 ILE A 9 22.285 -10.751 -1.116 1.00 22.41 H new ATOM 0 HG22 ILE A 9 22.293 -9.048 -0.602 1.00 22.41 H new ATOM 0 HG23 ILE A 9 23.790 -9.806 -1.193 1.00 22.41 H new ATOM 0 HD11 ILE A 9 23.805 -13.773 0.175 1.00 72.00 H new ATOM 0 HD12 ILE A 9 22.276 -13.025 0.695 1.00 72.00 H new ATOM 0 HD13 ILE A 9 22.974 -12.614 -0.890 1.00 72.00 H new ATOM 137 N PRO A 10 26.417 -9.647 1.912 1.00 60.41 N ATOM 138 CA PRO A 10 27.843 -9.747 1.586 1.00 53.24 C ATOM 139 C PRO A 10 28.162 -10.986 0.756 1.00 4.21 C ATOM 140 O PRO A 10 27.669 -12.077 1.039 1.00 1.12 O ATOM 141 CB PRO A 10 28.515 -9.834 2.958 1.00 45.32 C ATOM 142 CG PRO A 10 27.470 -10.397 3.857 1.00 21.32 C ATOM 143 CD PRO A 10 26.157 -9.876 3.343 1.00 34.11 C ATOM 0 HA PRO A 10 28.184 -8.906 0.982 1.00 53.24 H new ATOM 0 HB2 PRO A 10 29.397 -10.474 2.927 1.00 45.32 H new ATOM 0 HB3 PRO A 10 28.845 -8.853 3.300 1.00 45.32 H new ATOM 0 HG2 PRO A 10 27.490 -11.487 3.844 1.00 21.32 H new ATOM 0 HG3 PRO A 10 27.635 -10.088 4.889 1.00 21.32 H new ATOM 0 HD2 PRO A 10 25.352 -10.595 3.495 1.00 34.11 H new ATOM 0 HD3 PRO A 10 25.863 -8.957 3.850 1.00 34.11 H new ATOM 151 N GLU A 11 28.991 -10.809 -0.268 1.00 61.02 N ATOM 152 CA GLU A 11 29.376 -11.914 -1.138 1.00 74.14 C ATOM 153 C GLU A 11 29.804 -13.128 -0.319 1.00 74.20 C ATOM 154 O GLU A 11 30.160 -13.004 0.852 1.00 31.42 O ATOM 155 CB GLU A 11 30.512 -11.487 -2.070 1.00 30.41 C ATOM 156 CG GLU A 11 30.032 -10.899 -3.386 1.00 12.32 C ATOM 157 CD GLU A 11 30.885 -11.328 -4.563 1.00 64.42 C ATOM 158 OE1 GLU A 11 32.016 -11.805 -4.332 1.00 65.13 O ATOM 159 OE2 GLU A 11 30.423 -11.188 -5.715 1.00 1.25 O ATOM 0 H GLU A 11 29.408 -9.912 -0.515 1.00 61.02 H new ATOM 0 HA GLU A 11 28.508 -12.190 -1.737 1.00 74.14 H new ATOM 0 HB2 GLU A 11 31.133 -10.752 -1.558 1.00 30.41 H new ATOM 0 HB3 GLU A 11 31.145 -12.350 -2.277 1.00 30.41 H new ATOM 0 HG2 GLU A 11 29.000 -11.203 -3.560 1.00 12.32 H new ATOM 0 HG3 GLU A 11 30.036 -9.811 -3.316 1.00 12.32 H new ATOM 166 N GLU A 12 29.765 -14.301 -0.945 1.00 12.44 N ATOM 167 CA GLU A 12 30.147 -15.537 -0.273 1.00 23.11 C ATOM 168 C GLU A 12 29.202 -15.841 0.886 1.00 23.41 C ATOM 169 O GLU A 12 29.544 -16.594 1.798 1.00 75.44 O ATOM 170 CB GLU A 12 31.586 -15.441 0.239 1.00 31.43 C ATOM 171 CG GLU A 12 32.431 -16.661 -0.089 1.00 1.33 C ATOM 172 CD GLU A 12 33.918 -16.366 -0.056 1.00 2.31 C ATOM 173 OE1 GLU A 12 34.378 -15.546 -0.879 1.00 30.24 O ATOM 174 OE2 GLU A 12 34.622 -16.954 0.791 1.00 12.15 O ATOM 0 H GLU A 12 29.473 -14.420 -1.915 1.00 12.44 H new ATOM 0 HA GLU A 12 30.080 -16.350 -0.996 1.00 23.11 H new ATOM 0 HB2 GLU A 12 32.057 -14.557 -0.190 1.00 31.43 H new ATOM 0 HB3 GLU A 12 31.570 -15.301 1.320 1.00 31.43 H new ATOM 0 HG2 GLU A 12 32.206 -17.456 0.622 1.00 1.33 H new ATOM 0 HG3 GLU A 12 32.160 -17.031 -1.078 1.00 1.33 H new ATOM 181 N ALA A 13 28.013 -15.250 0.843 1.00 1.42 N ATOM 182 CA ALA A 13 27.018 -15.458 1.888 1.00 42.21 C ATOM 183 C ALA A 13 26.608 -16.924 1.971 1.00 74.15 C ATOM 184 O ALA A 13 25.837 -17.411 1.144 1.00 74.54 O ATOM 185 CB ALA A 13 25.801 -14.580 1.640 1.00 55.05 C ATOM 0 H ALA A 13 27.715 -14.623 0.096 1.00 1.42 H new ATOM 0 HA ALA A 13 27.465 -15.179 2.842 1.00 42.21 H new ATOM 0 HB1 ALA A 13 25.066 -14.746 2.428 1.00 55.05 H new ATOM 0 HB2 ALA A 13 26.102 -13.532 1.639 1.00 55.05 H new ATOM 0 HB3 ALA A 13 25.361 -14.832 0.675 1.00 55.05 H new ATOM 191 N LYS A 14 27.128 -17.624 2.973 1.00 11.32 N ATOM 192 CA LYS A 14 26.816 -19.035 3.165 1.00 14.01 C ATOM 193 C LYS A 14 25.316 -19.240 3.351 1.00 14.22 C ATOM 194 O LYS A 14 24.579 -18.292 3.625 1.00 54.13 O ATOM 195 CB LYS A 14 27.571 -19.585 4.377 1.00 35.32 C ATOM 196 CG LYS A 14 29.080 -19.459 4.262 1.00 12.15 C ATOM 197 CD LYS A 14 29.790 -20.612 4.951 1.00 31.30 C ATOM 198 CE LYS A 14 31.302 -20.466 4.868 1.00 54.41 C ATOM 199 NZ LYS A 14 31.947 -21.682 4.301 1.00 34.44 N ATOM 0 H LYS A 14 27.769 -17.236 3.666 1.00 11.32 H new ATOM 0 HA LYS A 14 27.131 -19.576 2.273 1.00 14.01 H new ATOM 0 HB2 LYS A 14 27.238 -19.059 5.271 1.00 35.32 H new ATOM 0 HB3 LYS A 14 27.312 -20.635 4.510 1.00 35.32 H new ATOM 0 HG2 LYS A 14 29.365 -19.432 3.210 1.00 12.15 H new ATOM 0 HG3 LYS A 14 29.402 -18.516 4.704 1.00 12.15 H new ATOM 0 HD2 LYS A 14 29.485 -20.656 5.996 1.00 31.30 H new ATOM 0 HD3 LYS A 14 29.489 -21.553 4.491 1.00 31.30 H new ATOM 0 HE2 LYS A 14 31.550 -19.602 4.251 1.00 54.41 H new ATOM 0 HE3 LYS A 14 31.703 -20.273 5.863 1.00 54.41 H new ATOM 0 HZ1 LYS A 14 32.977 -21.542 4.261 1.00 34.44 H new ATOM 0 HZ2 LYS A 14 31.732 -22.502 4.903 1.00 34.44 H new ATOM 0 HZ3 LYS A 14 31.584 -21.852 3.342 1.00 34.44 H new ATOM 213 N HIS A 15 24.870 -20.483 3.203 1.00 73.33 N ATOM 214 CA HIS A 15 23.457 -20.812 3.357 1.00 61.53 C ATOM 215 C HIS A 15 22.964 -20.449 4.754 1.00 31.31 C ATOM 216 O HIS A 15 23.428 -21.002 5.750 1.00 32.52 O ATOM 217 CB HIS A 15 23.227 -22.301 3.093 1.00 52.33 C ATOM 218 CG HIS A 15 23.436 -22.695 1.663 1.00 5.11 C ATOM 219 ND1 HIS A 15 23.642 -23.999 1.264 1.00 11.23 N ATOM 220 CD2 HIS A 15 23.470 -21.948 0.535 1.00 70.24 C ATOM 221 CE1 HIS A 15 23.795 -24.037 -0.047 1.00 55.13 C ATOM 222 NE2 HIS A 15 23.694 -22.806 -0.514 1.00 50.54 N ATOM 0 H HIS A 15 25.466 -21.279 2.977 1.00 73.33 H new ATOM 0 HA HIS A 15 22.892 -20.230 2.629 1.00 61.53 H new ATOM 0 HB2 HIS A 15 23.900 -22.882 3.723 1.00 52.33 H new ATOM 0 HB3 HIS A 15 22.210 -22.561 3.388 1.00 52.33 H new ATOM 0 HD2 HIS A 15 23.344 -20.877 0.471 1.00 70.24 H new ATOM 0 HE1 HIS A 15 23.973 -24.924 -0.637 1.00 55.13 H new ATOM 0 HE2 HIS A 15 23.770 -22.536 -1.495 1.00 50.54 H new ATOM 230 N GLY A 16 22.020 -19.515 4.819 1.00 4.53 N ATOM 231 CA GLY A 16 21.481 -19.093 6.099 1.00 70.11 C ATOM 232 C GLY A 16 21.976 -17.722 6.514 1.00 43.13 C ATOM 233 O GLY A 16 21.738 -17.281 7.639 1.00 43.34 O ATOM 0 H GLY A 16 21.619 -19.043 4.008 1.00 4.53 H new ATOM 0 HA2 GLY A 16 20.392 -19.082 6.045 1.00 70.11 H new ATOM 0 HA3 GLY A 16 21.755 -19.821 6.863 1.00 70.11 H new ATOM 237 N THR A 17 22.670 -17.045 5.604 1.00 52.52 N ATOM 238 CA THR A 17 23.203 -15.717 5.881 1.00 14.25 C ATOM 239 C THR A 17 22.094 -14.671 5.894 1.00 52.24 C ATOM 240 O THR A 17 21.146 -14.747 5.112 1.00 72.42 O ATOM 241 CB THR A 17 24.266 -15.310 4.844 1.00 55.44 C ATOM 242 OG1 THR A 17 25.390 -16.193 4.921 1.00 74.41 O ATOM 243 CG2 THR A 17 24.724 -13.877 5.072 1.00 73.13 C ATOM 0 H THR A 17 22.876 -17.395 4.668 1.00 52.52 H new ATOM 0 HA THR A 17 23.667 -15.762 6.866 1.00 14.25 H new ATOM 0 HB THR A 17 23.818 -15.378 3.852 1.00 55.44 H new ATOM 0 HG1 THR A 17 25.118 -17.093 4.644 1.00 74.41 H new ATOM 0 HG21 THR A 17 25.475 -13.612 4.327 1.00 73.13 H new ATOM 0 HG22 THR A 17 23.871 -13.204 4.983 1.00 73.13 H new ATOM 0 HG23 THR A 17 25.155 -13.787 6.069 1.00 73.13 H new ATOM 251 N PHE A 18 22.219 -13.693 6.785 1.00 33.21 N ATOM 252 CA PHE A 18 21.226 -12.631 6.899 1.00 41.01 C ATOM 253 C PHE A 18 21.285 -11.700 5.691 1.00 32.13 C ATOM 254 O PHE A 18 22.359 -11.253 5.289 1.00 21.13 O ATOM 255 CB PHE A 18 21.449 -11.832 8.185 1.00 54.35 C ATOM 256 CG PHE A 18 20.430 -12.116 9.251 1.00 11.00 C ATOM 257 CD1 PHE A 18 20.227 -13.409 9.707 1.00 52.53 C ATOM 258 CD2 PHE A 18 19.675 -11.091 9.798 1.00 41.55 C ATOM 259 CE1 PHE A 18 19.290 -13.674 10.688 1.00 4.43 C ATOM 260 CE2 PHE A 18 18.738 -11.349 10.780 1.00 73.55 C ATOM 261 CZ PHE A 18 18.544 -12.643 11.225 1.00 42.44 C ATOM 0 H PHE A 18 22.998 -13.614 7.439 1.00 33.21 H new ATOM 0 HA PHE A 18 20.239 -13.092 6.932 1.00 41.01 H new ATOM 0 HB2 PHE A 18 22.442 -12.055 8.574 1.00 54.35 H new ATOM 0 HB3 PHE A 18 21.430 -10.768 7.950 1.00 54.35 H new ATOM 0 HD1 PHE A 18 20.808 -14.219 9.291 1.00 52.53 H new ATOM 0 HD2 PHE A 18 19.821 -10.078 9.453 1.00 41.55 H new ATOM 0 HE1 PHE A 18 19.141 -14.686 11.034 1.00 4.43 H new ATOM 0 HE2 PHE A 18 18.158 -10.540 11.199 1.00 73.55 H new ATOM 0 HZ PHE A 18 17.811 -12.848 11.991 1.00 42.44 H new ATOM 271 N VAL A 19 20.121 -11.412 5.116 1.00 24.52 N ATOM 272 CA VAL A 19 20.039 -10.535 3.955 1.00 51.21 C ATOM 273 C VAL A 19 19.182 -9.309 4.252 1.00 61.30 C ATOM 274 O VAL A 19 19.419 -8.228 3.715 1.00 60.11 O ATOM 275 CB VAL A 19 19.456 -11.272 2.735 1.00 54.23 C ATOM 276 CG1 VAL A 19 19.611 -10.429 1.478 1.00 74.44 C ATOM 277 CG2 VAL A 19 20.123 -12.628 2.563 1.00 34.11 C ATOM 0 H VAL A 19 19.222 -11.774 5.436 1.00 24.52 H new ATOM 0 HA VAL A 19 21.056 -10.217 3.726 1.00 51.21 H new ATOM 0 HB VAL A 19 18.392 -11.435 2.905 1.00 54.23 H new ATOM 0 HG11 VAL A 19 19.193 -10.966 0.626 1.00 74.44 H new ATOM 0 HG12 VAL A 19 19.083 -9.484 1.606 1.00 74.44 H new ATOM 0 HG13 VAL A 19 20.668 -10.232 1.300 1.00 74.44 H new ATOM 0 HG21 VAL A 19 19.699 -13.135 1.696 1.00 34.11 H new ATOM 0 HG22 VAL A 19 21.194 -12.490 2.415 1.00 34.11 H new ATOM 0 HG23 VAL A 19 19.955 -13.232 3.455 1.00 34.11 H new ATOM 287 N GLY A 20 18.184 -9.486 5.113 1.00 61.03 N ATOM 288 CA GLY A 20 17.307 -8.386 5.467 1.00 14.22 C ATOM 289 C GLY A 20 15.879 -8.836 5.704 1.00 72.11 C ATOM 290 O GLY A 20 15.261 -9.447 4.832 1.00 54.54 O ATOM 0 H GLY A 20 17.968 -10.371 5.571 1.00 61.03 H new ATOM 0 HA2 GLY A 20 17.685 -7.899 6.366 1.00 14.22 H new ATOM 0 HA3 GLY A 20 17.323 -7.642 4.671 1.00 14.22 H new ATOM 294 N ARG A 21 15.354 -8.536 6.888 1.00 71.35 N ATOM 295 CA ARG A 21 13.991 -8.917 7.237 1.00 12.04 C ATOM 296 C ARG A 21 13.018 -8.537 6.125 1.00 33.11 C ATOM 297 O ARG A 21 12.575 -7.391 6.039 1.00 63.12 O ATOM 298 CB ARG A 21 13.572 -8.247 8.547 1.00 14.12 C ATOM 299 CG ARG A 21 14.465 -8.600 9.725 1.00 20.01 C ATOM 300 CD ARG A 21 14.541 -7.460 10.728 1.00 12.33 C ATOM 301 NE ARG A 21 15.561 -6.479 10.367 1.00 61.45 N ATOM 302 CZ ARG A 21 16.858 -6.649 10.598 1.00 1.24 C ATOM 303 NH1 ARG A 21 17.291 -7.755 11.188 1.00 15.30 N ATOM 304 NH2 ARG A 21 17.725 -5.711 10.240 1.00 44.13 N ATOM 0 H ARG A 21 15.852 -8.031 7.621 1.00 71.35 H new ATOM 0 HA ARG A 21 13.964 -9.999 7.365 1.00 12.04 H new ATOM 0 HB2 ARG A 21 13.577 -7.166 8.410 1.00 14.12 H new ATOM 0 HB3 ARG A 21 12.547 -8.534 8.780 1.00 14.12 H new ATOM 0 HG2 ARG A 21 14.083 -9.494 10.217 1.00 20.01 H new ATOM 0 HG3 ARG A 21 15.466 -8.837 9.366 1.00 20.01 H new ATOM 0 HD2 ARG A 21 13.571 -6.967 10.791 1.00 12.33 H new ATOM 0 HD3 ARG A 21 14.759 -7.862 11.717 1.00 12.33 H new ATOM 0 HE ARG A 21 15.261 -5.616 9.913 1.00 61.45 H new ATOM 0 HH11 ARG A 21 16.627 -8.478 11.466 1.00 15.30 H new ATOM 0 HH12 ARG A 21 18.288 -7.883 11.364 1.00 15.30 H new ATOM 0 HH21 ARG A 21 17.396 -4.858 9.787 1.00 44.13 H new ATOM 0 HH22 ARG A 21 18.721 -5.842 10.418 1.00 44.13 H new ATOM 318 N ILE A 22 12.690 -9.506 5.277 1.00 52.43 N ATOM 319 CA ILE A 22 11.769 -9.272 4.171 1.00 62.51 C ATOM 320 C ILE A 22 10.381 -8.902 4.680 1.00 14.35 C ATOM 321 O ILE A 22 9.708 -8.043 4.111 1.00 41.22 O ATOM 322 CB ILE A 22 11.656 -10.510 3.262 1.00 64.43 C ATOM 323 CG1 ILE A 22 10.608 -10.276 2.172 1.00 64.12 C ATOM 324 CG2 ILE A 22 11.307 -11.742 4.084 1.00 11.43 C ATOM 325 CD1 ILE A 22 10.706 -11.252 1.020 1.00 40.52 C ATOM 0 H ILE A 22 13.048 -10.460 5.334 1.00 52.43 H new ATOM 0 HA ILE A 22 12.175 -8.442 3.593 1.00 62.51 H new ATOM 0 HB ILE A 22 12.620 -10.679 2.783 1.00 64.43 H new ATOM 0 HG12 ILE A 22 9.614 -10.347 2.614 1.00 64.12 H new ATOM 0 HG13 ILE A 22 10.715 -9.261 1.788 1.00 64.12 H new ATOM 0 HG21 ILE A 22 11.231 -12.608 3.427 1.00 11.43 H new ATOM 0 HG22 ILE A 22 12.086 -11.917 4.826 1.00 11.43 H new ATOM 0 HG23 ILE A 22 10.354 -11.585 4.589 1.00 11.43 H new ATOM 0 HD11 ILE A 22 9.933 -11.027 0.285 1.00 40.52 H new ATOM 0 HD12 ILE A 22 11.687 -11.166 0.553 1.00 40.52 H new ATOM 0 HD13 ILE A 22 10.569 -12.268 1.391 1.00 40.52 H new ATOM 337 N ALA A 23 9.958 -9.554 5.758 1.00 21.34 N ATOM 338 CA ALA A 23 8.651 -9.291 6.348 1.00 43.43 C ATOM 339 C ALA A 23 8.611 -7.913 7.000 1.00 23.15 C ATOM 340 O ALA A 23 7.598 -7.218 6.940 1.00 11.52 O ATOM 341 CB ALA A 23 8.303 -10.369 7.364 1.00 42.55 C ATOM 0 H ALA A 23 10.502 -10.269 6.241 1.00 21.34 H new ATOM 0 HA ALA A 23 7.909 -9.308 5.550 1.00 43.43 H new ATOM 0 HB1 ALA A 23 7.325 -10.159 7.796 1.00 42.55 H new ATOM 0 HB2 ALA A 23 8.281 -11.341 6.870 1.00 42.55 H new ATOM 0 HB3 ALA A 23 9.054 -10.380 8.154 1.00 42.55 H new ATOM 347 N GLN A 24 9.720 -7.526 7.624 1.00 34.51 N ATOM 348 CA GLN A 24 9.809 -6.232 8.289 1.00 22.13 C ATOM 349 C GLN A 24 9.516 -5.097 7.314 1.00 61.14 C ATOM 350 O GLN A 24 8.701 -4.219 7.595 1.00 52.41 O ATOM 351 CB GLN A 24 11.197 -6.046 8.904 1.00 25.12 C ATOM 352 CG GLN A 24 11.305 -4.827 9.805 1.00 3.44 C ATOM 353 CD GLN A 24 10.406 -4.919 11.022 1.00 12.12 C ATOM 354 OE1 GLN A 24 9.345 -4.296 11.073 1.00 51.10 O ATOM 355 NE2 GLN A 24 10.826 -5.699 12.011 1.00 34.13 N ATOM 0 H GLN A 24 10.568 -8.090 7.682 1.00 34.51 H new ATOM 0 HA GLN A 24 9.061 -6.207 9.082 1.00 22.13 H new ATOM 0 HB2 GLN A 24 11.453 -6.936 9.479 1.00 25.12 H new ATOM 0 HB3 GLN A 24 11.932 -5.962 8.103 1.00 25.12 H new ATOM 0 HG2 GLN A 24 12.339 -4.711 10.130 1.00 3.44 H new ATOM 0 HG3 GLN A 24 11.048 -3.934 9.235 1.00 3.44 H new ATOM 0 HE21 GLN A 24 11.712 -6.197 11.927 1.00 34.13 H new ATOM 0 HE22 GLN A 24 10.263 -5.800 12.855 1.00 34.13 H new ATOM 364 N ASP A 25 10.186 -5.122 6.167 1.00 50.13 N ATOM 365 CA ASP A 25 9.997 -4.095 5.148 1.00 31.25 C ATOM 366 C ASP A 25 8.657 -4.272 4.441 1.00 62.35 C ATOM 367 O ASP A 25 8.226 -3.405 3.679 1.00 31.41 O ATOM 368 CB ASP A 25 11.136 -4.141 4.129 1.00 24.44 C ATOM 369 CG ASP A 25 11.296 -5.512 3.501 1.00 51.21 C ATOM 370 OD1 ASP A 25 10.391 -5.929 2.748 1.00 53.42 O ATOM 371 OD2 ASP A 25 12.326 -6.167 3.761 1.00 22.35 O ATOM 0 H ASP A 25 10.865 -5.842 5.919 1.00 50.13 H new ATOM 0 HA ASP A 25 10.002 -3.123 5.641 1.00 31.25 H new ATOM 0 HB2 ASP A 25 10.949 -3.406 3.346 1.00 24.44 H new ATOM 0 HB3 ASP A 25 12.068 -3.857 4.617 1.00 24.44 H new ATOM 376 N LEU A 26 8.004 -5.401 4.695 1.00 11.54 N ATOM 377 CA LEU A 26 6.713 -5.692 4.082 1.00 60.52 C ATOM 378 C LEU A 26 5.572 -5.107 4.908 1.00 4.02 C ATOM 379 O LEU A 26 4.598 -4.591 4.362 1.00 20.14 O ATOM 380 CB LEU A 26 6.527 -7.203 3.933 1.00 31.51 C ATOM 381 CG LEU A 26 6.478 -7.736 2.501 1.00 52.04 C ATOM 382 CD1 LEU A 26 7.661 -7.217 1.698 1.00 73.54 C ATOM 383 CD2 LEU A 26 6.455 -9.258 2.498 1.00 53.53 C ATOM 0 H LEU A 26 8.347 -6.129 5.321 1.00 11.54 H new ATOM 0 HA LEU A 26 6.695 -5.230 3.095 1.00 60.52 H new ATOM 0 HB2 LEU A 26 7.342 -7.702 4.457 1.00 31.51 H new ATOM 0 HB3 LEU A 26 5.603 -7.486 4.436 1.00 31.51 H new ATOM 0 HG LEU A 26 5.561 -7.378 2.032 1.00 52.04 H new ATOM 0 HD11 LEU A 26 7.610 -7.607 0.681 1.00 73.54 H new ATOM 0 HD12 LEU A 26 7.633 -6.128 1.671 1.00 73.54 H new ATOM 0 HD13 LEU A 26 8.590 -7.544 2.165 1.00 73.54 H new ATOM 0 HD21 LEU A 26 6.420 -9.619 1.470 1.00 53.53 H new ATOM 0 HD22 LEU A 26 7.354 -9.636 2.985 1.00 53.53 H new ATOM 0 HD23 LEU A 26 5.575 -9.610 3.036 1.00 53.53 H new ATOM 395 N GLY A 27 5.702 -5.189 6.229 1.00 64.10 N ATOM 396 CA GLY A 27 4.677 -4.661 7.110 1.00 74.45 C ATOM 397 C GLY A 27 3.522 -5.626 7.298 1.00 42.41 C ATOM 398 O GLY A 27 2.457 -5.243 7.785 1.00 62.33 O ATOM 0 H GLY A 27 6.499 -5.612 6.704 1.00 64.10 H new ATOM 0 HA2 GLY A 27 5.118 -4.433 8.080 1.00 74.45 H new ATOM 0 HA3 GLY A 27 4.300 -3.723 6.703 1.00 74.45 H new ATOM 402 N LEU A 28 3.731 -6.879 6.910 1.00 2.15 N ATOM 403 CA LEU A 28 2.698 -7.901 7.038 1.00 64.43 C ATOM 404 C LEU A 28 2.914 -8.740 8.294 1.00 53.43 C ATOM 405 O LEU A 28 4.049 -9.001 8.689 1.00 1.03 O ATOM 406 CB LEU A 28 2.692 -8.804 5.803 1.00 63.40 C ATOM 407 CG LEU A 28 2.893 -8.104 4.458 1.00 21.44 C ATOM 408 CD1 LEU A 28 3.396 -9.089 3.414 1.00 1.20 C ATOM 409 CD2 LEU A 28 1.598 -7.451 3.998 1.00 31.34 C ATOM 0 H LEU A 28 4.606 -7.212 6.504 1.00 2.15 H new ATOM 0 HA LEU A 28 1.734 -7.400 7.120 1.00 64.43 H new ATOM 0 HB2 LEU A 28 3.476 -9.552 5.921 1.00 63.40 H new ATOM 0 HB3 LEU A 28 1.743 -9.339 5.773 1.00 63.40 H new ATOM 0 HG LEU A 28 3.644 -7.325 4.584 1.00 21.44 H new ATOM 0 HD11 LEU A 28 3.533 -8.573 2.464 1.00 1.20 H new ATOM 0 HD12 LEU A 28 4.347 -9.510 3.739 1.00 1.20 H new ATOM 0 HD13 LEU A 28 2.668 -9.891 3.290 1.00 1.20 H new ATOM 0 HD21 LEU A 28 1.760 -6.958 3.040 1.00 31.34 H new ATOM 0 HD22 LEU A 28 0.826 -8.212 3.889 1.00 31.34 H new ATOM 0 HD23 LEU A 28 1.280 -6.715 4.736 1.00 31.34 H new ATOM 421 N GLU A 29 1.815 -9.159 8.914 1.00 25.24 N ATOM 422 CA GLU A 29 1.885 -9.969 10.125 1.00 63.21 C ATOM 423 C GLU A 29 2.710 -11.231 9.888 1.00 20.13 C ATOM 424 O GLU A 29 2.533 -11.923 8.885 1.00 62.13 O ATOM 425 CB GLU A 29 0.479 -10.347 10.595 1.00 52.54 C ATOM 426 CG GLU A 29 0.261 -10.147 12.085 1.00 32.20 C ATOM 427 CD GLU A 29 0.412 -8.699 12.508 1.00 23.02 C ATOM 428 OE1 GLU A 29 0.063 -7.807 11.708 1.00 41.33 O ATOM 429 OE2 GLU A 29 0.880 -8.459 13.641 1.00 42.50 O ATOM 0 H GLU A 29 0.867 -8.952 8.599 1.00 25.24 H new ATOM 0 HA GLU A 29 2.372 -9.377 10.900 1.00 63.21 H new ATOM 0 HB2 GLU A 29 -0.251 -9.751 10.046 1.00 52.54 H new ATOM 0 HB3 GLU A 29 0.290 -11.391 10.346 1.00 52.54 H new ATOM 0 HG2 GLU A 29 -0.736 -10.498 12.353 1.00 32.20 H new ATOM 0 HG3 GLU A 29 0.973 -10.759 12.638 1.00 32.20 H new ATOM 436 N LEU A 30 3.612 -11.524 10.819 1.00 72.33 N ATOM 437 CA LEU A 30 4.465 -12.703 10.713 1.00 43.44 C ATOM 438 C LEU A 30 3.629 -13.976 10.637 1.00 52.13 C ATOM 439 O LEU A 30 4.043 -14.970 10.039 1.00 1.13 O ATOM 440 CB LEU A 30 5.418 -12.775 11.907 1.00 65.43 C ATOM 441 CG LEU A 30 6.804 -13.357 11.625 1.00 44.32 C ATOM 442 CD1 LEU A 30 6.696 -14.813 11.201 1.00 63.13 C ATOM 443 CD2 LEU A 30 7.518 -12.540 10.557 1.00 2.04 C ATOM 0 H LEU A 30 3.771 -10.962 11.655 1.00 72.33 H new ATOM 0 HA LEU A 30 5.047 -12.619 9.795 1.00 43.44 H new ATOM 0 HB2 LEU A 30 5.543 -11.769 12.308 1.00 65.43 H new ATOM 0 HB3 LEU A 30 4.947 -13.373 12.687 1.00 65.43 H new ATOM 0 HG LEU A 30 7.390 -13.310 12.543 1.00 44.32 H new ATOM 0 HD11 LEU A 30 7.692 -15.210 11.005 1.00 63.13 H new ATOM 0 HD12 LEU A 30 6.226 -15.390 11.997 1.00 63.13 H new ATOM 0 HD13 LEU A 30 6.092 -14.885 10.296 1.00 63.13 H new ATOM 0 HD21 LEU A 30 8.503 -12.968 10.369 1.00 2.04 H new ATOM 0 HD22 LEU A 30 6.934 -12.555 9.637 1.00 2.04 H new ATOM 0 HD23 LEU A 30 7.629 -11.511 10.900 1.00 2.04 H new ATOM 455 N THR A 31 2.447 -13.939 11.245 1.00 50.44 N ATOM 456 CA THR A 31 1.551 -15.088 11.245 1.00 23.33 C ATOM 457 C THR A 31 0.524 -14.986 10.123 1.00 25.03 C ATOM 458 O THR A 31 -0.355 -15.837 9.996 1.00 70.02 O ATOM 459 CB THR A 31 0.813 -15.225 12.590 1.00 2.44 C ATOM 460 OG1 THR A 31 -0.041 -14.094 12.797 1.00 75.50 O ATOM 461 CG2 THR A 31 1.802 -15.336 13.741 1.00 32.23 C ATOM 0 H THR A 31 2.088 -13.125 11.744 1.00 50.44 H new ATOM 0 HA THR A 31 2.170 -15.971 11.087 1.00 23.33 H new ATOM 0 HB THR A 31 0.212 -16.134 12.559 1.00 2.44 H new ATOM 0 HG1 THR A 31 -0.508 -14.189 13.653 1.00 75.50 H new ATOM 0 HG21 THR A 31 1.258 -15.432 14.680 1.00 32.23 H new ATOM 0 HG22 THR A 31 2.432 -16.213 13.596 1.00 32.23 H new ATOM 0 HG23 THR A 31 2.425 -14.442 13.772 1.00 32.23 H new ATOM 469 N GLU A 32 0.643 -13.940 9.312 1.00 3.41 N ATOM 470 CA GLU A 32 -0.276 -13.727 8.200 1.00 32.44 C ATOM 471 C GLU A 32 0.318 -14.250 6.896 1.00 73.43 C ATOM 472 O GLU A 32 -0.379 -14.369 5.887 1.00 61.42 O ATOM 473 CB GLU A 32 -0.610 -12.240 8.062 1.00 65.51 C ATOM 474 CG GLU A 32 -1.803 -11.804 8.894 1.00 35.23 C ATOM 475 CD GLU A 32 -3.072 -12.552 8.532 1.00 41.13 C ATOM 476 OE1 GLU A 32 -3.096 -13.193 7.460 1.00 21.43 O ATOM 477 OE2 GLU A 32 -4.040 -12.496 9.318 1.00 0.53 O ATOM 0 H GLU A 32 1.366 -13.227 9.404 1.00 3.41 H new ATOM 0 HA GLU A 32 -1.192 -14.279 8.409 1.00 32.44 H new ATOM 0 HB2 GLU A 32 0.260 -11.652 8.354 1.00 65.51 H new ATOM 0 HB3 GLU A 32 -0.808 -12.017 7.014 1.00 65.51 H new ATOM 0 HG2 GLU A 32 -1.582 -11.961 9.950 1.00 35.23 H new ATOM 0 HG3 GLU A 32 -1.965 -10.735 8.758 1.00 35.23 H new ATOM 484 N LEU A 33 1.609 -14.561 6.923 1.00 1.31 N ATOM 485 CA LEU A 33 2.299 -15.071 5.743 1.00 54.40 C ATOM 486 C LEU A 33 1.771 -16.449 5.357 1.00 54.53 C ATOM 487 O LEU A 33 1.547 -16.732 4.180 1.00 42.24 O ATOM 488 CB LEU A 33 3.805 -15.143 6.000 1.00 51.35 C ATOM 489 CG LEU A 33 4.486 -13.826 6.374 1.00 52.43 C ATOM 490 CD1 LEU A 33 5.555 -14.059 7.430 1.00 41.33 C ATOM 491 CD2 LEU A 33 5.086 -13.166 5.141 1.00 61.44 C ATOM 0 H LEU A 33 2.200 -14.469 7.749 1.00 1.31 H new ATOM 0 HA LEU A 33 2.110 -14.385 4.917 1.00 54.40 H new ATOM 0 HB2 LEU A 33 3.983 -15.861 6.801 1.00 51.35 H new ATOM 0 HB3 LEU A 33 4.287 -15.537 5.106 1.00 51.35 H new ATOM 0 HG LEU A 33 3.734 -13.156 6.790 1.00 52.43 H new ATOM 0 HD11 LEU A 33 6.029 -13.111 7.684 1.00 41.33 H new ATOM 0 HD12 LEU A 33 5.098 -14.486 8.322 1.00 41.33 H new ATOM 0 HD13 LEU A 33 6.306 -14.747 7.042 1.00 41.33 H new ATOM 0 HD21 LEU A 33 5.566 -12.230 5.427 1.00 61.44 H new ATOM 0 HD22 LEU A 33 5.825 -13.832 4.695 1.00 61.44 H new ATOM 0 HD23 LEU A 33 4.297 -12.963 4.417 1.00 61.44 H new ATOM 503 N VAL A 34 1.571 -17.302 6.356 1.00 10.22 N ATOM 504 CA VAL A 34 1.066 -18.649 6.122 1.00 74.21 C ATOM 505 C VAL A 34 -0.217 -18.620 5.298 1.00 10.54 C ATOM 506 O VAL A 34 -0.306 -19.208 4.221 1.00 41.15 O ATOM 507 CB VAL A 34 0.795 -19.385 7.447 1.00 32.53 C ATOM 508 CG1 VAL A 34 -0.350 -20.373 7.285 1.00 34.42 C ATOM 509 CG2 VAL A 34 2.053 -20.090 7.932 1.00 61.04 C ATOM 0 H VAL A 34 1.751 -17.084 7.336 1.00 10.22 H new ATOM 0 HA VAL A 34 1.838 -19.184 5.569 1.00 74.21 H new ATOM 0 HB VAL A 34 0.505 -18.650 8.198 1.00 32.53 H new ATOM 0 HG11 VAL A 34 -0.527 -20.883 8.232 1.00 34.42 H new ATOM 0 HG12 VAL A 34 -1.252 -19.839 6.987 1.00 34.42 H new ATOM 0 HG13 VAL A 34 -0.093 -21.106 6.520 1.00 34.42 H new ATOM 0 HG21 VAL A 34 1.843 -20.605 8.870 1.00 61.04 H new ATOM 0 HG22 VAL A 34 2.375 -20.815 7.184 1.00 61.04 H new ATOM 0 HG23 VAL A 34 2.843 -19.356 8.090 1.00 61.04 H new ATOM 519 N PRO A 35 -1.236 -17.918 5.816 1.00 52.32 N ATOM 520 CA PRO A 35 -2.533 -17.793 5.144 1.00 32.11 C ATOM 521 C PRO A 35 -2.454 -16.937 3.885 1.00 51.50 C ATOM 522 O PRO A 35 -3.354 -16.966 3.045 1.00 11.25 O ATOM 523 CB PRO A 35 -3.414 -17.116 6.197 1.00 73.11 C ATOM 524 CG PRO A 35 -2.461 -16.372 7.067 1.00 51.44 C ATOM 525 CD PRO A 35 -1.201 -17.191 7.096 1.00 23.11 C ATOM 0 HA PRO A 35 -2.912 -18.758 4.807 1.00 32.11 H new ATOM 0 HB2 PRO A 35 -4.137 -16.443 5.735 1.00 73.11 H new ATOM 0 HB3 PRO A 35 -3.982 -17.850 6.769 1.00 73.11 H new ATOM 0 HG2 PRO A 35 -2.269 -15.375 6.672 1.00 51.44 H new ATOM 0 HG3 PRO A 35 -2.867 -16.245 8.071 1.00 51.44 H new ATOM 0 HD2 PRO A 35 -0.315 -16.562 7.176 1.00 23.11 H new ATOM 0 HD3 PRO A 35 -1.185 -17.874 7.945 1.00 23.11 H new ATOM 533 N ARG A 36 -1.372 -16.175 3.760 1.00 70.11 N ATOM 534 CA ARG A 36 -1.176 -15.310 2.603 1.00 14.31 C ATOM 535 C ARG A 36 -0.466 -16.058 1.479 1.00 52.45 C ATOM 536 O ARG A 36 -0.082 -15.464 0.470 1.00 63.42 O ATOM 537 CB ARG A 36 -0.368 -14.072 2.996 1.00 14.34 C ATOM 538 CG ARG A 36 -1.218 -12.943 3.559 1.00 63.44 C ATOM 539 CD ARG A 36 -0.356 -11.816 4.104 1.00 4.14 C ATOM 540 NE ARG A 36 -1.013 -10.517 3.986 1.00 35.41 N ATOM 541 CZ ARG A 36 -2.090 -10.173 4.684 1.00 2.31 C ATOM 542 NH1 ARG A 36 -2.626 -11.026 5.546 1.00 54.41 N ATOM 543 NH2 ARG A 36 -2.631 -8.972 4.521 1.00 34.40 N ATOM 0 H ARG A 36 -0.618 -16.139 4.446 1.00 70.11 H new ATOM 0 HA ARG A 36 -2.157 -14.997 2.245 1.00 14.31 H new ATOM 0 HB2 ARG A 36 0.380 -14.356 3.736 1.00 14.34 H new ATOM 0 HB3 ARG A 36 0.172 -13.708 2.122 1.00 14.34 H new ATOM 0 HG2 ARG A 36 -1.874 -12.556 2.779 1.00 63.44 H new ATOM 0 HG3 ARG A 36 -1.858 -13.329 4.352 1.00 63.44 H new ATOM 0 HD2 ARG A 36 -0.124 -12.011 5.151 1.00 4.14 H new ATOM 0 HD3 ARG A 36 0.592 -11.793 3.567 1.00 4.14 H new ATOM 0 HE ARG A 36 -0.624 -9.837 3.333 1.00 35.41 H new ATOM 0 HH11 ARG A 36 -2.212 -11.949 5.675 1.00 54.41 H new ATOM 0 HH12 ARG A 36 -3.453 -10.759 6.080 1.00 54.41 H new ATOM 0 HH21 ARG A 36 -2.220 -8.313 3.860 1.00 34.40 H new ATOM 0 HH22 ARG A 36 -3.458 -8.708 5.057 1.00 34.40 H new ATOM 557 N LEU A 37 -0.295 -17.362 1.659 1.00 22.50 N ATOM 558 CA LEU A 37 0.370 -18.192 0.660 1.00 32.31 C ATOM 559 C LEU A 37 1.663 -17.539 0.183 1.00 72.25 C ATOM 560 O LEU A 37 1.854 -17.317 -1.013 1.00 73.24 O ATOM 561 CB LEU A 37 -0.561 -18.437 -0.529 1.00 62.01 C ATOM 562 CG LEU A 37 -1.527 -19.615 -0.394 1.00 42.32 C ATOM 563 CD1 LEU A 37 -2.715 -19.233 0.475 1.00 72.42 C ATOM 564 CD2 LEU A 37 -1.994 -20.081 -1.765 1.00 51.13 C ATOM 0 H LEU A 37 -0.607 -17.868 2.487 1.00 22.50 H new ATOM 0 HA LEU A 37 0.617 -19.147 1.123 1.00 32.31 H new ATOM 0 HB2 LEU A 37 -1.145 -17.532 -0.700 1.00 62.01 H new ATOM 0 HB3 LEU A 37 0.051 -18.595 -1.417 1.00 62.01 H new ATOM 0 HG LEU A 37 -1.001 -20.439 0.088 1.00 42.32 H new ATOM 0 HD11 LEU A 37 -3.392 -20.083 0.560 1.00 72.42 H new ATOM 0 HD12 LEU A 37 -2.364 -18.948 1.467 1.00 72.42 H new ATOM 0 HD13 LEU A 37 -3.242 -18.393 0.022 1.00 72.42 H new ATOM 0 HD21 LEU A 37 -2.681 -20.920 -1.650 1.00 51.13 H new ATOM 0 HD22 LEU A 37 -2.503 -19.262 -2.274 1.00 51.13 H new ATOM 0 HD23 LEU A 37 -1.133 -20.395 -2.355 1.00 51.13 H new ATOM 576 N PHE A 38 2.549 -17.235 1.125 1.00 63.42 N ATOM 577 CA PHE A 38 3.826 -16.609 0.800 1.00 15.14 C ATOM 578 C PHE A 38 4.682 -17.533 -0.061 1.00 33.15 C ATOM 579 O PHE A 38 4.697 -18.748 0.140 1.00 51.25 O ATOM 580 CB PHE A 38 4.579 -16.244 2.081 1.00 13.32 C ATOM 581 CG PHE A 38 5.329 -14.946 1.986 1.00 14.22 C ATOM 582 CD1 PHE A 38 4.653 -13.736 2.011 1.00 74.53 C ATOM 583 CD2 PHE A 38 6.709 -14.935 1.873 1.00 44.11 C ATOM 584 CE1 PHE A 38 5.340 -12.541 1.923 1.00 43.14 C ATOM 585 CE2 PHE A 38 7.403 -13.742 1.785 1.00 74.22 C ATOM 586 CZ PHE A 38 6.717 -12.544 1.811 1.00 50.32 C ATOM 0 H PHE A 38 2.407 -17.412 2.119 1.00 63.42 H new ATOM 0 HA PHE A 38 3.623 -15.700 0.234 1.00 15.14 H new ATOM 0 HB2 PHE A 38 3.869 -16.185 2.906 1.00 13.32 H new ATOM 0 HB3 PHE A 38 5.280 -17.043 2.321 1.00 13.32 H new ATOM 0 HD1 PHE A 38 3.577 -13.728 2.100 1.00 74.53 H new ATOM 0 HD2 PHE A 38 7.250 -15.870 1.853 1.00 44.11 H new ATOM 0 HE1 PHE A 38 4.801 -11.605 1.942 1.00 43.14 H new ATOM 0 HE2 PHE A 38 8.479 -13.747 1.696 1.00 74.22 H new ATOM 0 HZ PHE A 38 7.256 -11.611 1.744 1.00 50.32 H new ATOM 596 N ARG A 39 5.393 -16.948 -1.019 1.00 74.52 N ATOM 597 CA ARG A 39 6.250 -17.719 -1.912 1.00 50.42 C ATOM 598 C ARG A 39 7.361 -16.845 -2.487 1.00 1.33 C ATOM 599 O ARG A 39 7.200 -15.633 -2.633 1.00 13.05 O ATOM 600 CB ARG A 39 5.425 -18.325 -3.048 1.00 73.44 C ATOM 601 CG ARG A 39 5.387 -19.845 -3.030 1.00 11.24 C ATOM 602 CD ARG A 39 3.993 -20.363 -2.714 1.00 32.43 C ATOM 603 NE ARG A 39 3.983 -21.807 -2.494 1.00 74.21 N ATOM 604 CZ ARG A 39 2.874 -22.514 -2.302 1.00 2.42 C ATOM 605 NH1 ARG A 39 1.693 -21.912 -2.303 1.00 35.34 N ATOM 606 NH2 ARG A 39 2.946 -23.824 -2.109 1.00 25.42 N ATOM 0 H ARG A 39 5.393 -15.944 -1.197 1.00 74.52 H new ATOM 0 HA ARG A 39 6.705 -18.523 -1.334 1.00 50.42 H new ATOM 0 HB2 ARG A 39 4.406 -17.944 -2.989 1.00 73.44 H new ATOM 0 HB3 ARG A 39 5.835 -17.992 -4.001 1.00 73.44 H new ATOM 0 HG2 ARG A 39 5.709 -20.230 -3.998 1.00 11.24 H new ATOM 0 HG3 ARG A 39 6.092 -20.219 -2.288 1.00 11.24 H new ATOM 0 HD2 ARG A 39 3.611 -19.858 -1.826 1.00 32.43 H new ATOM 0 HD3 ARG A 39 3.320 -20.117 -3.535 1.00 32.43 H new ATOM 0 HE ARG A 39 4.876 -22.300 -2.487 1.00 74.21 H new ATOM 0 HH11 ARG A 39 1.634 -20.905 -2.451 1.00 35.34 H new ATOM 0 HH12 ARG A 39 0.843 -22.456 -2.156 1.00 35.34 H new ATOM 0 HH21 ARG A 39 3.853 -24.290 -2.108 1.00 25.42 H new ATOM 0 HH22 ARG A 39 2.094 -24.365 -1.962 1.00 25.42 H new ATOM 620 N VAL A 40 8.489 -17.468 -2.811 1.00 25.11 N ATOM 621 CA VAL A 40 9.627 -16.748 -3.370 1.00 4.12 C ATOM 622 C VAL A 40 10.159 -17.444 -4.617 1.00 65.23 C ATOM 623 O VAL A 40 10.217 -18.672 -4.678 1.00 43.13 O ATOM 624 CB VAL A 40 10.768 -16.616 -2.343 1.00 33.42 C ATOM 625 CG1 VAL A 40 11.966 -15.914 -2.963 1.00 24.54 C ATOM 626 CG2 VAL A 40 10.286 -15.875 -1.105 1.00 4.40 C ATOM 0 H VAL A 40 8.639 -18.470 -2.696 1.00 25.11 H new ATOM 0 HA VAL A 40 9.271 -15.753 -3.637 1.00 4.12 H new ATOM 0 HB VAL A 40 11.080 -17.616 -2.041 1.00 33.42 H new ATOM 0 HG11 VAL A 40 12.762 -15.830 -2.223 1.00 24.54 H new ATOM 0 HG12 VAL A 40 12.324 -16.490 -3.816 1.00 24.54 H new ATOM 0 HG13 VAL A 40 11.673 -14.918 -3.295 1.00 24.54 H new ATOM 0 HG21 VAL A 40 11.104 -15.791 -0.390 1.00 4.40 H new ATOM 0 HG22 VAL A 40 9.946 -14.878 -1.387 1.00 4.40 H new ATOM 0 HG23 VAL A 40 9.462 -16.424 -0.650 1.00 4.40 H new ATOM 636 N ALA A 41 10.548 -16.651 -5.611 1.00 33.33 N ATOM 637 CA ALA A 41 11.078 -17.191 -6.856 1.00 72.25 C ATOM 638 C ALA A 41 11.885 -16.140 -7.611 1.00 23.33 C ATOM 639 O ALA A 41 11.929 -14.976 -7.215 1.00 3.52 O ATOM 640 CB ALA A 41 9.946 -17.716 -7.728 1.00 4.10 C ATOM 0 H ALA A 41 10.506 -15.632 -5.577 1.00 33.33 H new ATOM 0 HA ALA A 41 11.746 -18.017 -6.610 1.00 72.25 H new ATOM 0 HB1 ALA A 41 10.356 -18.116 -8.655 1.00 4.10 H new ATOM 0 HB2 ALA A 41 9.413 -18.504 -7.197 1.00 4.10 H new ATOM 0 HB3 ALA A 41 9.257 -16.903 -7.958 1.00 4.10 H new ATOM 646 N SER A 42 12.524 -16.559 -8.699 1.00 34.43 N ATOM 647 CA SER A 42 13.334 -15.655 -9.506 1.00 13.31 C ATOM 648 C SER A 42 13.440 -16.156 -10.943 1.00 35.11 C ATOM 649 O SER A 42 13.254 -17.343 -11.215 1.00 2.44 O ATOM 650 CB SER A 42 14.731 -15.509 -8.900 1.00 70.42 C ATOM 651 OG SER A 42 15.727 -15.519 -9.908 1.00 2.30 O ATOM 0 H SER A 42 12.496 -17.519 -9.042 1.00 34.43 H new ATOM 0 HA SER A 42 12.846 -14.680 -9.515 1.00 13.31 H new ATOM 0 HB2 SER A 42 14.790 -14.579 -8.335 1.00 70.42 H new ATOM 0 HB3 SER A 42 14.913 -16.322 -8.197 1.00 70.42 H new ATOM 0 HG SER A 42 16.085 -14.614 -10.023 1.00 2.30 H new ATOM 657 N LYS A 43 13.739 -15.243 -11.861 1.00 21.23 N ATOM 658 CA LYS A 43 13.872 -15.590 -13.271 1.00 15.02 C ATOM 659 C LYS A 43 15.260 -16.148 -13.566 1.00 21.24 C ATOM 660 O LYS A 43 15.451 -16.883 -14.535 1.00 20.34 O ATOM 661 CB LYS A 43 13.607 -14.363 -14.146 1.00 2.30 C ATOM 662 CG LYS A 43 12.151 -13.930 -14.163 1.00 4.23 C ATOM 663 CD LYS A 43 11.989 -12.542 -14.759 1.00 3.53 C ATOM 664 CE LYS A 43 10.596 -11.986 -14.507 1.00 72.22 C ATOM 665 NZ LYS A 43 10.099 -11.190 -15.663 1.00 41.23 N ATOM 0 H LYS A 43 13.894 -14.256 -11.654 1.00 21.23 H new ATOM 0 HA LYS A 43 13.135 -16.359 -13.501 1.00 15.02 H new ATOM 0 HB2 LYS A 43 14.219 -13.534 -13.790 1.00 2.30 H new ATOM 0 HB3 LYS A 43 13.925 -14.579 -15.166 1.00 2.30 H new ATOM 0 HG2 LYS A 43 11.564 -14.645 -14.740 1.00 4.23 H new ATOM 0 HG3 LYS A 43 11.756 -13.939 -13.147 1.00 4.23 H new ATOM 0 HD2 LYS A 43 12.733 -11.871 -14.329 1.00 3.53 H new ATOM 0 HD3 LYS A 43 12.178 -12.581 -15.832 1.00 3.53 H new ATOM 0 HE2 LYS A 43 9.907 -12.807 -14.309 1.00 72.22 H new ATOM 0 HE3 LYS A 43 10.611 -11.360 -13.615 1.00 72.22 H new ATOM 0 HZ1 LYS A 43 9.147 -10.829 -15.452 1.00 41.23 H new ATOM 0 HZ2 LYS A 43 10.742 -10.391 -15.837 1.00 41.23 H new ATOM 0 HZ3 LYS A 43 10.060 -11.793 -16.509 1.00 41.23 H new ATOM 679 N ASP A 44 16.225 -15.796 -12.724 1.00 4.42 N ATOM 680 CA ASP A 44 17.596 -16.264 -12.893 1.00 1.20 C ATOM 681 C ASP A 44 17.666 -17.785 -12.798 1.00 5.30 C ATOM 682 O ASP A 44 17.759 -18.476 -13.812 1.00 71.23 O ATOM 683 CB ASP A 44 18.507 -15.632 -11.839 1.00 41.14 C ATOM 684 CG ASP A 44 18.953 -14.234 -12.223 1.00 32.45 C ATOM 685 OD1 ASP A 44 18.079 -13.357 -12.386 1.00 22.42 O ATOM 686 OD2 ASP A 44 20.175 -14.018 -12.360 1.00 3.11 O ATOM 0 H ASP A 44 16.083 -15.188 -11.917 1.00 4.42 H new ATOM 0 HA ASP A 44 17.937 -15.964 -13.884 1.00 1.20 H new ATOM 0 HB2 ASP A 44 17.982 -15.593 -10.885 1.00 41.14 H new ATOM 0 HB3 ASP A 44 19.384 -16.263 -11.695 1.00 41.14 H new ATOM 691 N ARG A 45 17.623 -18.299 -11.573 1.00 42.41 N ATOM 692 CA ARG A 45 17.685 -19.737 -11.346 1.00 35.43 C ATOM 693 C ARG A 45 16.443 -20.224 -10.603 1.00 42.24 C ATOM 694 O ARG A 45 16.127 -21.413 -10.614 1.00 51.44 O ATOM 695 CB ARG A 45 18.941 -20.096 -10.550 1.00 71.41 C ATOM 696 CG ARG A 45 19.503 -21.468 -10.886 1.00 43.11 C ATOM 697 CD ARG A 45 21.020 -21.491 -10.772 1.00 35.51 C ATOM 698 NE ARG A 45 21.482 -22.510 -9.833 1.00 11.23 N ATOM 699 CZ ARG A 45 21.411 -23.815 -10.070 1.00 13.11 C ATOM 700 NH1 ARG A 45 20.899 -24.258 -11.210 1.00 41.20 N ATOM 701 NH2 ARG A 45 21.853 -24.680 -9.166 1.00 15.22 N ATOM 0 H ARG A 45 17.545 -17.741 -10.723 1.00 42.41 H new ATOM 0 HA ARG A 45 17.725 -20.231 -12.317 1.00 35.43 H new ATOM 0 HB2 ARG A 45 19.707 -19.343 -10.737 1.00 71.41 H new ATOM 0 HB3 ARG A 45 18.710 -20.058 -9.486 1.00 71.41 H new ATOM 0 HG2 ARG A 45 19.075 -22.212 -10.214 1.00 43.11 H new ATOM 0 HG3 ARG A 45 19.209 -21.745 -11.898 1.00 43.11 H new ATOM 0 HD2 ARG A 45 21.455 -21.679 -11.754 1.00 35.51 H new ATOM 0 HD3 ARG A 45 21.374 -20.512 -10.448 1.00 35.51 H new ATOM 0 HE ARG A 45 21.881 -22.202 -8.946 1.00 11.23 H new ATOM 0 HH11 ARG A 45 20.559 -23.596 -11.907 1.00 41.20 H new ATOM 0 HH12 ARG A 45 20.846 -25.261 -11.390 1.00 41.20 H new ATOM 0 HH21 ARG A 45 22.248 -24.343 -8.288 1.00 15.22 H new ATOM 0 HH22 ARG A 45 21.798 -25.682 -9.349 1.00 15.22 H new ATOM 715 N GLY A 46 15.744 -19.295 -9.958 1.00 74.14 N ATOM 716 CA GLY A 46 14.546 -19.649 -9.219 1.00 53.34 C ATOM 717 C GLY A 46 14.852 -20.131 -7.815 1.00 71.45 C ATOM 718 O GLY A 46 13.947 -20.297 -6.997 1.00 72.05 O ATOM 0 H GLY A 46 15.986 -18.304 -9.934 1.00 74.14 H new ATOM 0 HA2 GLY A 46 13.886 -18.783 -9.167 1.00 53.34 H new ATOM 0 HA3 GLY A 46 14.007 -20.428 -9.758 1.00 53.34 H new ATOM 722 N ASP A 47 16.130 -20.359 -7.536 1.00 24.23 N ATOM 723 CA ASP A 47 16.554 -20.827 -6.221 1.00 12.42 C ATOM 724 C ASP A 47 17.788 -20.067 -5.746 1.00 3.25 C ATOM 725 O ASP A 47 18.875 -20.635 -5.632 1.00 60.51 O ATOM 726 CB ASP A 47 16.847 -22.327 -6.259 1.00 72.35 C ATOM 727 CG ASP A 47 16.834 -22.955 -4.880 1.00 20.42 C ATOM 728 OD1 ASP A 47 17.437 -22.370 -3.956 1.00 54.12 O ATOM 729 OD2 ASP A 47 16.222 -24.033 -4.724 1.00 21.03 O ATOM 0 H ASP A 47 16.891 -20.228 -8.202 1.00 24.23 H new ATOM 0 HA ASP A 47 15.742 -20.642 -5.518 1.00 12.42 H new ATOM 0 HB2 ASP A 47 16.107 -22.823 -6.888 1.00 72.35 H new ATOM 0 HB3 ASP A 47 17.820 -22.492 -6.721 1.00 72.35 H new ATOM 734 N LEU A 48 17.614 -18.779 -5.470 1.00 62.00 N ATOM 735 CA LEU A 48 18.714 -17.940 -5.008 1.00 4.12 C ATOM 736 C LEU A 48 18.603 -17.672 -3.510 1.00 54.54 C ATOM 737 O LEU A 48 19.591 -17.750 -2.779 1.00 73.32 O ATOM 738 CB LEU A 48 18.730 -16.617 -5.775 1.00 13.40 C ATOM 739 CG LEU A 48 18.811 -16.725 -7.298 1.00 41.30 C ATOM 740 CD1 LEU A 48 17.424 -16.907 -7.895 1.00 64.11 C ATOM 741 CD2 LEU A 48 19.489 -15.495 -7.885 1.00 12.25 C ATOM 0 H LEU A 48 16.722 -18.293 -5.558 1.00 62.00 H new ATOM 0 HA LEU A 48 19.647 -18.472 -5.195 1.00 4.12 H new ATOM 0 HB2 LEU A 48 17.829 -16.060 -5.518 1.00 13.40 H new ATOM 0 HB3 LEU A 48 19.579 -16.029 -5.427 1.00 13.40 H new ATOM 0 HG LEU A 48 19.410 -17.600 -7.549 1.00 41.30 H new ATOM 0 HD11 LEU A 48 17.502 -16.982 -8.980 1.00 64.11 H new ATOM 0 HD12 LEU A 48 16.974 -17.818 -7.500 1.00 64.11 H new ATOM 0 HD13 LEU A 48 16.801 -16.052 -7.634 1.00 64.11 H new ATOM 0 HD21 LEU A 48 19.538 -15.589 -8.970 1.00 12.25 H new ATOM 0 HD22 LEU A 48 18.917 -14.605 -7.624 1.00 12.25 H new ATOM 0 HD23 LEU A 48 20.498 -15.409 -7.482 1.00 12.25 H new ATOM 753 N LEU A 49 17.393 -17.356 -3.060 1.00 24.31 N ATOM 754 CA LEU A 49 17.151 -17.078 -1.648 1.00 62.44 C ATOM 755 C LEU A 49 15.693 -17.341 -1.284 1.00 44.42 C ATOM 756 O LEU A 49 14.809 -17.269 -2.136 1.00 53.43 O ATOM 757 CB LEU A 49 17.517 -15.629 -1.324 1.00 22.14 C ATOM 758 CG LEU A 49 19.010 -15.299 -1.318 1.00 22.14 C ATOM 759 CD1 LEU A 49 19.454 -14.810 -2.687 1.00 63.35 C ATOM 760 CD2 LEU A 49 19.322 -14.259 -0.251 1.00 63.23 C ATOM 0 H LEU A 49 16.565 -17.286 -3.652 1.00 24.31 H new ATOM 0 HA LEU A 49 17.779 -17.745 -1.058 1.00 62.44 H new ATOM 0 HB2 LEU A 49 17.025 -14.980 -2.049 1.00 22.14 H new ATOM 0 HB3 LEU A 49 17.107 -15.382 -0.345 1.00 22.14 H new ATOM 0 HG LEU A 49 19.563 -16.209 -1.083 1.00 22.14 H new ATOM 0 HD11 LEU A 49 20.519 -14.580 -2.663 1.00 63.35 H new ATOM 0 HD12 LEU A 49 19.267 -15.586 -3.429 1.00 63.35 H new ATOM 0 HD13 LEU A 49 18.895 -13.913 -2.952 1.00 63.35 H new ATOM 0 HD21 LEU A 49 20.389 -14.036 -0.261 1.00 63.23 H new ATOM 0 HD22 LEU A 49 18.759 -13.348 -0.455 1.00 63.23 H new ATOM 0 HD23 LEU A 49 19.042 -14.647 0.728 1.00 63.23 H new ATOM 772 N GLU A 50 15.452 -17.643 -0.012 1.00 54.13 N ATOM 773 CA GLU A 50 14.100 -17.914 0.464 1.00 24.01 C ATOM 774 C GLU A 50 13.886 -17.325 1.855 1.00 15.32 C ATOM 775 O GLU A 50 14.824 -17.208 2.644 1.00 54.31 O ATOM 776 CB GLU A 50 13.838 -19.421 0.491 1.00 70.23 C ATOM 777 CG GLU A 50 13.324 -19.973 -0.828 1.00 41.15 C ATOM 778 CD GLU A 50 12.651 -21.323 -0.674 1.00 14.44 C ATOM 779 OE1 GLU A 50 11.753 -21.443 0.186 1.00 25.55 O ATOM 780 OE2 GLU A 50 13.021 -22.258 -1.413 1.00 61.25 O ATOM 0 H GLU A 50 16.174 -17.706 0.706 1.00 54.13 H new ATOM 0 HA GLU A 50 13.398 -17.443 -0.224 1.00 24.01 H new ATOM 0 HB2 GLU A 50 14.761 -19.937 0.756 1.00 70.23 H new ATOM 0 HB3 GLU A 50 13.113 -19.641 1.275 1.00 70.23 H new ATOM 0 HG2 GLU A 50 12.617 -19.266 -1.262 1.00 41.15 H new ATOM 0 HG3 GLU A 50 14.155 -20.063 -1.528 1.00 41.15 H new ATOM 787 N VAL A 51 12.643 -16.954 2.149 1.00 22.21 N ATOM 788 CA VAL A 51 12.304 -16.377 3.444 1.00 34.44 C ATOM 789 C VAL A 51 11.823 -17.450 4.415 1.00 72.42 C ATOM 790 O VAL A 51 11.106 -18.373 4.030 1.00 61.30 O ATOM 791 CB VAL A 51 11.214 -15.297 3.309 1.00 31.35 C ATOM 792 CG1 VAL A 51 10.026 -15.832 2.523 1.00 5.34 C ATOM 793 CG2 VAL A 51 10.778 -14.807 4.682 1.00 40.52 C ATOM 0 H VAL A 51 11.855 -17.043 1.508 1.00 22.21 H new ATOM 0 HA VAL A 51 13.213 -15.919 3.834 1.00 34.44 H new ATOM 0 HB VAL A 51 11.630 -14.452 2.761 1.00 31.35 H new ATOM 0 HG11 VAL A 51 9.266 -15.055 2.438 1.00 5.34 H new ATOM 0 HG12 VAL A 51 10.353 -16.130 1.527 1.00 5.34 H new ATOM 0 HG13 VAL A 51 9.606 -16.695 3.040 1.00 5.34 H new ATOM 0 HG21 VAL A 51 10.008 -14.044 4.568 1.00 40.52 H new ATOM 0 HG22 VAL A 51 10.379 -15.643 5.257 1.00 40.52 H new ATOM 0 HG23 VAL A 51 11.634 -14.382 5.206 1.00 40.52 H new ATOM 803 N ASN A 52 12.222 -17.322 5.676 1.00 41.11 N ATOM 804 CA ASN A 52 11.832 -18.281 6.703 1.00 54.02 C ATOM 805 C ASN A 52 10.653 -17.756 7.517 1.00 32.51 C ATOM 806 O ASN A 52 10.795 -16.818 8.302 1.00 11.11 O ATOM 807 CB ASN A 52 13.013 -18.578 7.628 1.00 22.23 C ATOM 808 CG ASN A 52 12.674 -19.611 8.686 1.00 13.51 C ATOM 809 OD1 ASN A 52 11.618 -20.242 8.637 1.00 51.20 O ATOM 810 ND2 ASN A 52 13.570 -19.787 9.650 1.00 41.41 N ATOM 0 H ASN A 52 12.815 -16.563 6.011 1.00 41.11 H new ATOM 0 HA ASN A 52 11.527 -19.203 6.207 1.00 54.02 H new ATOM 0 HB2 ASN A 52 13.855 -18.933 7.034 1.00 22.23 H new ATOM 0 HB3 ASN A 52 13.331 -17.656 8.114 1.00 22.23 H new ATOM 0 HD21 ASN A 52 13.396 -20.468 10.390 1.00 41.41 H new ATOM 0 HD22 ASN A 52 14.432 -19.242 9.651 1.00 41.41 H new ATOM 817 N LEU A 53 9.490 -18.369 7.325 1.00 14.35 N ATOM 818 CA LEU A 53 8.285 -17.965 8.042 1.00 1.45 C ATOM 819 C LEU A 53 8.520 -17.974 9.550 1.00 53.24 C ATOM 820 O LEU A 53 7.782 -17.342 10.305 1.00 31.24 O ATOM 821 CB LEU A 53 7.122 -18.894 7.690 1.00 2.12 C ATOM 822 CG LEU A 53 6.557 -18.755 6.276 1.00 20.42 C ATOM 823 CD1 LEU A 53 5.389 -19.708 6.072 1.00 1.05 C ATOM 824 CD2 LEU A 53 6.129 -17.319 6.011 1.00 31.42 C ATOM 0 H LEU A 53 9.356 -19.147 6.679 1.00 14.35 H new ATOM 0 HA LEU A 53 8.035 -16.949 7.738 1.00 1.45 H new ATOM 0 HB2 LEU A 53 7.451 -19.924 7.829 1.00 2.12 H new ATOM 0 HB3 LEU A 53 6.315 -18.719 8.401 1.00 2.12 H new ATOM 0 HG LEU A 53 7.341 -19.016 5.565 1.00 20.42 H new ATOM 0 HD11 LEU A 53 5.000 -19.595 5.060 1.00 1.05 H new ATOM 0 HD12 LEU A 53 5.727 -20.734 6.218 1.00 1.05 H new ATOM 0 HD13 LEU A 53 4.603 -19.479 6.791 1.00 1.05 H new ATOM 0 HD21 LEU A 53 5.730 -17.239 5.000 1.00 31.42 H new ATOM 0 HD22 LEU A 53 5.361 -17.030 6.729 1.00 31.42 H new ATOM 0 HD23 LEU A 53 6.989 -16.658 6.114 1.00 31.42 H new ATOM 836 N GLN A 54 9.552 -18.692 9.978 1.00 25.22 N ATOM 837 CA GLN A 54 9.885 -18.782 11.395 1.00 13.41 C ATOM 838 C GLN A 54 9.963 -17.395 12.024 1.00 2.44 C ATOM 839 O GLN A 54 9.464 -17.174 13.127 1.00 42.41 O ATOM 840 CB GLN A 54 11.213 -19.516 11.584 1.00 62.12 C ATOM 841 CG GLN A 54 11.438 -20.012 13.003 1.00 1.21 C ATOM 842 CD GLN A 54 10.746 -21.332 13.277 1.00 74.33 C ATOM 843 OE1 GLN A 54 9.682 -21.614 12.725 1.00 35.50 O ATOM 844 NE2 GLN A 54 11.347 -22.150 14.132 1.00 21.45 N ATOM 0 H GLN A 54 10.172 -19.220 9.364 1.00 25.22 H new ATOM 0 HA GLN A 54 9.095 -19.344 11.893 1.00 13.41 H new ATOM 0 HB2 GLN A 54 11.250 -20.365 10.901 1.00 62.12 H new ATOM 0 HB3 GLN A 54 12.030 -18.849 11.307 1.00 62.12 H new ATOM 0 HG2 GLN A 54 12.508 -20.124 13.179 1.00 1.21 H new ATOM 0 HG3 GLN A 54 11.075 -19.263 13.707 1.00 1.21 H new ATOM 0 HE21 GLN A 54 12.228 -21.876 14.567 1.00 21.45 H new ATOM 0 HE22 GLN A 54 10.928 -23.053 14.355 1.00 21.45 H new ATOM 853 N ASN A 55 10.594 -16.463 11.316 1.00 75.52 N ATOM 854 CA ASN A 55 10.738 -15.097 11.806 1.00 62.52 C ATOM 855 C ASN A 55 10.628 -14.095 10.661 1.00 5.53 C ATOM 856 O ASN A 55 11.035 -12.941 10.792 1.00 41.21 O ATOM 857 CB ASN A 55 12.081 -14.929 12.519 1.00 30.05 C ATOM 858 CG ASN A 55 11.924 -14.382 13.925 1.00 1.40 C ATOM 859 OD1 ASN A 55 11.383 -15.049 14.806 1.00 31.54 O ATOM 860 ND2 ASN A 55 12.398 -13.160 14.140 1.00 10.03 N ATOM 0 H ASN A 55 11.014 -16.629 10.401 1.00 75.52 H new ATOM 0 HA ASN A 55 9.932 -14.903 12.514 1.00 62.52 H new ATOM 0 HB2 ASN A 55 12.590 -15.892 12.561 1.00 30.05 H new ATOM 0 HB3 ASN A 55 12.716 -14.258 11.940 1.00 30.05 H new ATOM 0 HD21 ASN A 55 12.321 -12.739 15.066 1.00 10.03 H new ATOM 0 HD22 ASN A 55 12.839 -12.643 13.379 1.00 10.03 H new ATOM 867 N GLY A 56 10.075 -14.544 9.539 1.00 50.32 N ATOM 868 CA GLY A 56 9.921 -13.673 8.388 1.00 62.43 C ATOM 869 C GLY A 56 11.233 -13.053 7.950 1.00 24.52 C ATOM 870 O GLY A 56 11.250 -11.973 7.359 1.00 24.32 O ATOM 0 H GLY A 56 9.731 -15.495 9.406 1.00 50.32 H new ATOM 0 HA2 GLY A 56 9.497 -14.242 7.560 1.00 62.43 H new ATOM 0 HA3 GLY A 56 9.211 -12.882 8.628 1.00 62.43 H new ATOM 874 N ILE A 57 12.335 -13.737 8.242 1.00 40.32 N ATOM 875 CA ILE A 57 13.657 -13.246 7.875 1.00 45.41 C ATOM 876 C ILE A 57 14.103 -13.817 6.533 1.00 23.23 C ATOM 877 O ILE A 57 13.693 -14.912 6.145 1.00 24.13 O ATOM 878 CB ILE A 57 14.707 -13.600 8.945 1.00 14.03 C ATOM 879 CG1 ILE A 57 16.000 -12.819 8.701 1.00 33.24 C ATOM 880 CG2 ILE A 57 14.977 -15.097 8.946 1.00 25.03 C ATOM 881 CD1 ILE A 57 15.807 -11.319 8.692 1.00 40.11 C ATOM 0 H ILE A 57 12.338 -14.632 8.731 1.00 40.32 H new ATOM 0 HA ILE A 57 13.580 -12.161 7.798 1.00 45.41 H new ATOM 0 HB ILE A 57 14.316 -13.320 9.923 1.00 14.03 H new ATOM 0 HG12 ILE A 57 16.724 -13.079 9.473 1.00 33.24 H new ATOM 0 HG13 ILE A 57 16.427 -13.128 7.747 1.00 33.24 H new ATOM 0 HG21 ILE A 57 15.721 -15.332 9.707 1.00 25.03 H new ATOM 0 HG22 ILE A 57 14.053 -15.633 9.164 1.00 25.03 H new ATOM 0 HG23 ILE A 57 15.351 -15.400 7.968 1.00 25.03 H new ATOM 0 HD11 ILE A 57 16.765 -10.830 8.514 1.00 40.11 H new ATOM 0 HD12 ILE A 57 15.108 -11.047 7.901 1.00 40.11 H new ATOM 0 HD13 ILE A 57 15.409 -10.998 9.655 1.00 40.11 H new ATOM 893 N LEU A 58 14.947 -13.070 5.829 1.00 35.22 N ATOM 894 CA LEU A 58 15.451 -13.503 4.531 1.00 51.04 C ATOM 895 C LEU A 58 16.809 -14.182 4.673 1.00 44.23 C ATOM 896 O LEU A 58 17.797 -13.547 5.044 1.00 14.21 O ATOM 897 CB LEU A 58 15.561 -12.309 3.581 1.00 65.03 C ATOM 898 CG LEU A 58 15.075 -12.542 2.150 1.00 60.30 C ATOM 899 CD1 LEU A 58 15.950 -13.570 1.450 1.00 72.44 C ATOM 900 CD2 LEU A 58 13.620 -12.987 2.147 1.00 33.13 C ATOM 0 H LEU A 58 15.296 -12.162 6.136 1.00 35.22 H new ATOM 0 HA LEU A 58 14.747 -14.225 4.117 1.00 51.04 H new ATOM 0 HB2 LEU A 58 14.995 -11.480 4.005 1.00 65.03 H new ATOM 0 HB3 LEU A 58 16.604 -11.996 3.542 1.00 65.03 H new ATOM 0 HG LEU A 58 15.148 -11.601 1.604 1.00 60.30 H new ATOM 0 HD11 LEU A 58 15.589 -13.723 0.433 1.00 72.44 H new ATOM 0 HD12 LEU A 58 16.979 -13.212 1.420 1.00 72.44 H new ATOM 0 HD13 LEU A 58 15.910 -14.513 1.995 1.00 72.44 H new ATOM 0 HD21 LEU A 58 13.291 -13.148 1.120 1.00 33.13 H new ATOM 0 HD22 LEU A 58 13.522 -13.916 2.709 1.00 33.13 H new ATOM 0 HD23 LEU A 58 13.003 -12.216 2.609 1.00 33.13 H new ATOM 912 N PHE A 59 16.853 -15.476 4.373 1.00 52.33 N ATOM 913 CA PHE A 59 18.091 -16.241 4.466 1.00 53.13 C ATOM 914 C PHE A 59 18.570 -16.670 3.082 1.00 32.41 C ATOM 915 O PHE A 59 17.766 -16.968 2.199 1.00 75.12 O ATOM 916 CB PHE A 59 17.889 -17.471 5.353 1.00 61.33 C ATOM 917 CG PHE A 59 16.927 -18.472 4.779 1.00 24.55 C ATOM 918 CD1 PHE A 59 17.357 -19.422 3.866 1.00 2.41 C ATOM 919 CD2 PHE A 59 15.593 -18.464 5.154 1.00 62.14 C ATOM 920 CE1 PHE A 59 16.475 -20.345 3.337 1.00 52.40 C ATOM 921 CE2 PHE A 59 14.706 -19.385 4.628 1.00 5.22 C ATOM 922 CZ PHE A 59 15.147 -20.325 3.718 1.00 65.41 C ATOM 0 H PHE A 59 16.045 -16.017 4.063 1.00 52.33 H new ATOM 0 HA PHE A 59 18.852 -15.601 4.912 1.00 53.13 H new ATOM 0 HB2 PHE A 59 18.852 -17.955 5.514 1.00 61.33 H new ATOM 0 HB3 PHE A 59 17.527 -17.149 6.330 1.00 61.33 H new ATOM 0 HD1 PHE A 59 18.394 -19.441 3.564 1.00 2.41 H new ATOM 0 HD2 PHE A 59 15.242 -17.730 5.865 1.00 62.14 H new ATOM 0 HE1 PHE A 59 16.823 -21.081 2.627 1.00 52.40 H new ATOM 0 HE2 PHE A 59 13.669 -19.369 4.929 1.00 5.22 H new ATOM 0 HZ PHE A 59 14.455 -21.044 3.305 1.00 65.41 H new ATOM 932 N VAL A 60 19.886 -16.699 2.901 1.00 64.51 N ATOM 933 CA VAL A 60 20.474 -17.093 1.626 1.00 41.21 C ATOM 934 C VAL A 60 20.343 -18.595 1.400 1.00 12.22 C ATOM 935 O VAL A 60 20.395 -19.381 2.345 1.00 71.44 O ATOM 936 CB VAL A 60 21.962 -16.701 1.549 1.00 31.42 C ATOM 937 CG1 VAL A 60 22.503 -16.932 0.147 1.00 42.15 C ATOM 938 CG2 VAL A 60 22.154 -15.253 1.972 1.00 13.22 C ATOM 0 H VAL A 60 20.566 -16.454 3.621 1.00 64.51 H new ATOM 0 HA VAL A 60 19.925 -16.563 0.848 1.00 41.21 H new ATOM 0 HB VAL A 60 22.523 -17.334 2.237 1.00 31.42 H new ATOM 0 HG11 VAL A 60 23.555 -16.650 0.112 1.00 42.15 H new ATOM 0 HG12 VAL A 60 22.401 -17.986 -0.113 1.00 42.15 H new ATOM 0 HG13 VAL A 60 21.941 -16.327 -0.564 1.00 42.15 H new ATOM 0 HG21 VAL A 60 23.211 -14.993 1.912 1.00 13.22 H new ATOM 0 HG22 VAL A 60 21.582 -14.602 1.311 1.00 13.22 H new ATOM 0 HG23 VAL A 60 21.807 -15.124 2.997 1.00 13.22 H new ATOM 948 N ASN A 61 20.173 -18.986 0.141 1.00 14.24 N ATOM 949 CA ASN A 61 20.034 -20.395 -0.209 1.00 52.42 C ATOM 950 C ASN A 61 20.605 -20.669 -1.597 1.00 40.30 C ATOM 951 O ASN A 61 19.956 -21.297 -2.434 1.00 25.15 O ATOM 952 CB ASN A 61 18.562 -20.811 -0.160 1.00 24.44 C ATOM 953 CG ASN A 61 18.390 -22.316 -0.080 1.00 1.13 C ATOM 954 OD1 ASN A 61 18.221 -22.987 -1.098 1.00 34.44 O ATOM 955 ND2 ASN A 61 18.432 -22.852 1.134 1.00 24.53 N ATOM 0 H ASN A 61 20.128 -18.347 -0.653 1.00 14.24 H new ATOM 0 HA ASN A 61 20.595 -20.982 0.518 1.00 52.42 H new ATOM 0 HB2 ASN A 61 18.084 -20.347 0.703 1.00 24.44 H new ATOM 0 HB3 ASN A 61 18.051 -20.436 -1.047 1.00 24.44 H new ATOM 0 HD21 ASN A 61 18.322 -23.859 1.251 1.00 24.53 H new ATOM 0 HD22 ASN A 61 18.574 -22.256 1.950 1.00 24.53 H new ATOM 962 N SER A 62 21.823 -20.193 -1.834 1.00 25.21 N ATOM 963 CA SER A 62 22.482 -20.384 -3.121 1.00 55.12 C ATOM 964 C SER A 62 23.908 -19.845 -3.087 1.00 25.11 C ATOM 965 O SER A 62 24.429 -19.504 -2.025 1.00 43.40 O ATOM 966 CB SER A 62 21.689 -19.690 -4.231 1.00 31.32 C ATOM 967 OG SER A 62 21.968 -20.268 -5.494 1.00 42.44 O ATOM 0 H SER A 62 22.374 -19.672 -1.152 1.00 25.21 H new ATOM 0 HA SER A 62 22.522 -21.454 -3.326 1.00 55.12 H new ATOM 0 HB2 SER A 62 20.622 -19.764 -4.021 1.00 31.32 H new ATOM 0 HB3 SER A 62 21.937 -18.629 -4.250 1.00 31.32 H new ATOM 0 HG SER A 62 21.129 -20.539 -5.922 1.00 42.44 H new ATOM 973 N ARG A 63 24.535 -19.772 -4.257 1.00 31.32 N ATOM 974 CA ARG A 63 25.902 -19.277 -4.362 1.00 11.42 C ATOM 975 C ARG A 63 25.918 -17.762 -4.550 1.00 23.43 C ATOM 976 O ARG A 63 25.314 -17.237 -5.485 1.00 51.20 O ATOM 977 CB ARG A 63 26.624 -19.954 -5.528 1.00 4.21 C ATOM 978 CG ARG A 63 26.455 -21.464 -5.555 1.00 11.01 C ATOM 979 CD ARG A 63 26.961 -22.104 -4.272 1.00 21.40 C ATOM 980 NE ARG A 63 27.525 -23.431 -4.508 1.00 10.22 N ATOM 981 CZ ARG A 63 27.672 -24.347 -3.557 1.00 13.30 C ATOM 982 NH1 ARG A 63 27.298 -24.081 -2.313 1.00 34.40 N ATOM 983 NH2 ARG A 63 28.193 -25.531 -3.850 1.00 21.31 N ATOM 0 H ARG A 63 24.118 -20.050 -5.145 1.00 31.32 H new ATOM 0 HA ARG A 63 26.421 -19.517 -3.434 1.00 11.42 H new ATOM 0 HB2 ARG A 63 26.252 -19.539 -6.465 1.00 4.21 H new ATOM 0 HB3 ARG A 63 27.686 -19.717 -5.473 1.00 4.21 H new ATOM 0 HG2 ARG A 63 25.403 -21.711 -5.696 1.00 11.01 H new ATOM 0 HG3 ARG A 63 26.996 -21.877 -6.407 1.00 11.01 H new ATOM 0 HD2 ARG A 63 27.719 -21.463 -3.821 1.00 21.40 H new ATOM 0 HD3 ARG A 63 26.142 -22.180 -3.557 1.00 21.40 H new ATOM 0 HE ARG A 63 27.822 -23.667 -5.455 1.00 10.22 H new ATOM 0 HH11 ARG A 63 26.896 -23.172 -2.085 1.00 34.40 H new ATOM 0 HH12 ARG A 63 27.412 -24.786 -1.584 1.00 34.40 H new ATOM 0 HH21 ARG A 63 28.481 -25.739 -4.806 1.00 21.31 H new ATOM 0 HH22 ARG A 63 28.306 -26.234 -3.119 1.00 21.31 H new ATOM 997 N ILE A 64 26.613 -17.068 -3.655 1.00 12.10 N ATOM 998 CA ILE A 64 26.708 -15.615 -3.723 1.00 10.00 C ATOM 999 C ILE A 64 28.102 -15.175 -4.156 1.00 64.00 C ATOM 1000 O ILE A 64 28.301 -14.038 -4.584 1.00 54.04 O ATOM 1001 CB ILE A 64 26.375 -14.965 -2.367 1.00 52.11 C ATOM 1002 CG1 ILE A 64 25.108 -15.587 -1.776 1.00 52.23 C ATOM 1003 CG2 ILE A 64 26.208 -13.461 -2.527 1.00 62.24 C ATOM 1004 CD1 ILE A 64 23.904 -15.486 -2.687 1.00 22.40 C ATOM 0 H ILE A 64 27.118 -17.488 -2.875 1.00 12.10 H new ATOM 0 HA ILE A 64 25.979 -15.286 -4.463 1.00 10.00 H new ATOM 0 HB ILE A 64 27.202 -15.148 -1.680 1.00 52.11 H new ATOM 0 HG12 ILE A 64 25.298 -16.637 -1.553 1.00 52.23 H new ATOM 0 HG13 ILE A 64 24.880 -15.097 -0.830 1.00 52.23 H new ATOM 0 HG21 ILE A 64 25.973 -13.016 -1.560 1.00 62.24 H new ATOM 0 HG22 ILE A 64 27.134 -13.031 -2.909 1.00 62.24 H new ATOM 0 HG23 ILE A 64 25.397 -13.257 -3.227 1.00 62.24 H new ATOM 0 HD11 ILE A 64 23.043 -15.947 -2.204 1.00 22.40 H new ATOM 0 HD12 ILE A 64 23.688 -14.437 -2.890 1.00 22.40 H new ATOM 0 HD13 ILE A 64 24.113 -16.001 -3.625 1.00 22.40 H new ATOM 1016 N ASP A 65 29.065 -16.084 -4.043 1.00 51.50 N ATOM 1017 CA ASP A 65 30.441 -15.791 -4.426 1.00 3.22 C ATOM 1018 C ASP A 65 30.494 -15.125 -5.797 1.00 41.22 C ATOM 1019 O ASP A 65 29.747 -15.490 -6.705 1.00 30.42 O ATOM 1020 CB ASP A 65 31.274 -17.074 -4.436 1.00 2.43 C ATOM 1021 CG ASP A 65 32.752 -16.806 -4.227 1.00 71.02 C ATOM 1022 OD1 ASP A 65 33.092 -15.709 -3.738 1.00 5.10 O ATOM 1023 OD2 ASP A 65 33.568 -17.693 -4.554 1.00 72.50 O ATOM 0 H ASP A 65 28.918 -17.029 -3.689 1.00 51.50 H new ATOM 0 HA ASP A 65 30.858 -15.102 -3.691 1.00 3.22 H new ATOM 0 HB2 ASP A 65 30.915 -17.743 -3.654 1.00 2.43 H new ATOM 0 HB3 ASP A 65 31.132 -17.589 -5.386 1.00 2.43 H new ATOM 1028 N ARG A 66 31.381 -14.145 -5.940 1.00 33.12 N ATOM 1029 CA ARG A 66 31.529 -13.426 -7.200 1.00 21.44 C ATOM 1030 C ARG A 66 31.656 -14.399 -8.369 1.00 14.13 C ATOM 1031 O ARG A 66 31.213 -14.109 -9.480 1.00 5.23 O ATOM 1032 CB ARG A 66 32.754 -12.512 -7.148 1.00 43.23 C ATOM 1033 CG ARG A 66 33.978 -13.167 -6.529 1.00 61.24 C ATOM 1034 CD ARG A 66 35.215 -12.962 -7.389 1.00 41.55 C ATOM 1035 NE ARG A 66 35.377 -11.567 -7.790 1.00 43.44 N ATOM 1036 CZ ARG A 66 36.117 -11.180 -8.824 1.00 73.21 C ATOM 1037 NH1 ARG A 66 36.758 -12.079 -9.557 1.00 62.45 N ATOM 1038 NH2 ARG A 66 36.215 -9.892 -9.126 1.00 41.13 N ATOM 0 H ARG A 66 32.008 -13.831 -5.199 1.00 33.12 H new ATOM 0 HA ARG A 66 30.637 -12.818 -7.351 1.00 21.44 H new ATOM 0 HB2 ARG A 66 32.998 -12.188 -8.160 1.00 43.23 H new ATOM 0 HB3 ARG A 66 32.505 -11.617 -6.579 1.00 43.23 H new ATOM 0 HG2 ARG A 66 34.151 -12.752 -5.536 1.00 61.24 H new ATOM 0 HG3 ARG A 66 33.795 -14.234 -6.401 1.00 61.24 H new ATOM 0 HD2 ARG A 66 36.098 -13.286 -6.838 1.00 41.55 H new ATOM 0 HD3 ARG A 66 35.147 -13.589 -8.278 1.00 41.55 H new ATOM 0 HE ARG A 66 34.896 -10.850 -7.247 1.00 43.44 H new ATOM 0 HH11 ARG A 66 36.684 -13.070 -9.328 1.00 62.45 H new ATOM 0 HH12 ARG A 66 37.325 -11.780 -10.350 1.00 62.45 H new ATOM 0 HH21 ARG A 66 35.722 -9.198 -8.564 1.00 41.13 H new ATOM 0 HH22 ARG A 66 36.783 -9.596 -9.920 1.00 41.13 H new ATOM 1052 N GLU A 67 32.262 -15.553 -8.109 1.00 4.21 N ATOM 1053 CA GLU A 67 32.448 -16.567 -9.140 1.00 51.34 C ATOM 1054 C GLU A 67 31.103 -17.075 -9.652 1.00 0.11 C ATOM 1055 O GLU A 67 30.891 -17.193 -10.858 1.00 50.42 O ATOM 1056 CB GLU A 67 33.273 -17.735 -8.596 1.00 44.54 C ATOM 1057 CG GLU A 67 34.329 -18.238 -9.566 1.00 42.44 C ATOM 1058 CD GLU A 67 34.119 -19.688 -9.957 1.00 54.54 C ATOM 1059 OE1 GLU A 67 33.952 -20.528 -9.049 1.00 25.22 O ATOM 1060 OE2 GLU A 67 34.120 -19.982 -11.171 1.00 1.41 O ATOM 0 H GLU A 67 32.632 -15.809 -7.194 1.00 4.21 H new ATOM 0 HA GLU A 67 32.985 -16.109 -9.971 1.00 51.34 H new ATOM 0 HB2 GLU A 67 33.759 -17.426 -7.671 1.00 44.54 H new ATOM 0 HB3 GLU A 67 32.602 -18.556 -8.344 1.00 44.54 H new ATOM 0 HG2 GLU A 67 34.318 -17.619 -10.463 1.00 42.44 H new ATOM 0 HG3 GLU A 67 35.315 -18.127 -9.114 1.00 42.44 H new ATOM 1067 N GLU A 68 30.199 -17.375 -8.725 1.00 11.14 N ATOM 1068 CA GLU A 68 28.875 -17.872 -9.082 1.00 4.03 C ATOM 1069 C GLU A 68 27.937 -16.720 -9.430 1.00 43.13 C ATOM 1070 O GLU A 68 27.363 -16.679 -10.519 1.00 63.34 O ATOM 1071 CB GLU A 68 28.287 -18.693 -7.932 1.00 63.13 C ATOM 1072 CG GLU A 68 28.633 -20.171 -8.001 1.00 72.11 C ATOM 1073 CD GLU A 68 27.595 -20.978 -8.757 1.00 65.15 C ATOM 1074 OE1 GLU A 68 26.675 -20.366 -9.339 1.00 21.33 O ATOM 1075 OE2 GLU A 68 27.705 -22.222 -8.768 1.00 72.21 O ATOM 0 H GLU A 68 30.359 -17.283 -7.722 1.00 11.14 H new ATOM 0 HA GLU A 68 28.979 -18.511 -9.959 1.00 4.03 H new ATOM 0 HB2 GLU A 68 28.647 -18.288 -6.986 1.00 63.13 H new ATOM 0 HB3 GLU A 68 27.203 -18.582 -7.934 1.00 63.13 H new ATOM 0 HG2 GLU A 68 29.603 -20.291 -8.483 1.00 72.11 H new ATOM 0 HG3 GLU A 68 28.729 -20.566 -6.989 1.00 72.11 H new ATOM 1082 N LEU A 69 27.786 -15.786 -8.498 1.00 51.42 N ATOM 1083 CA LEU A 69 26.917 -14.632 -8.705 1.00 62.12 C ATOM 1084 C LEU A 69 27.174 -13.994 -10.067 1.00 23.04 C ATOM 1085 O LEU A 69 26.357 -14.106 -10.981 1.00 64.32 O ATOM 1086 CB LEU A 69 27.134 -13.600 -7.597 1.00 34.43 C ATOM 1087 CG LEU A 69 25.871 -12.959 -7.021 1.00 14.10 C ATOM 1088 CD1 LEU A 69 25.164 -12.127 -8.080 1.00 60.11 C ATOM 1089 CD2 LEU A 69 24.936 -14.024 -6.466 1.00 65.53 C ATOM 0 H LEU A 69 28.254 -15.805 -7.592 1.00 51.42 H new ATOM 0 HA LEU A 69 25.883 -14.977 -8.675 1.00 62.12 H new ATOM 0 HB2 LEU A 69 27.678 -14.079 -6.783 1.00 34.43 H new ATOM 0 HB3 LEU A 69 27.774 -12.808 -7.986 1.00 34.43 H new ATOM 0 HG LEU A 69 26.163 -12.299 -6.204 1.00 14.10 H new ATOM 0 HD11 LEU A 69 24.267 -11.679 -7.652 1.00 60.11 H new ATOM 0 HD12 LEU A 69 25.832 -11.340 -8.430 1.00 60.11 H new ATOM 0 HD13 LEU A 69 24.885 -12.766 -8.918 1.00 60.11 H new ATOM 0 HD21 LEU A 69 24.043 -13.549 -6.061 1.00 65.53 H new ATOM 0 HD22 LEU A 69 24.651 -14.710 -7.264 1.00 65.53 H new ATOM 0 HD23 LEU A 69 25.443 -14.577 -5.676 1.00 65.53 H new ATOM 1101 N CYS A 70 28.316 -13.326 -10.195 1.00 13.20 N ATOM 1102 CA CYS A 70 28.683 -12.671 -11.445 1.00 34.03 C ATOM 1103 C CYS A 70 30.174 -12.351 -11.474 1.00 25.23 C ATOM 1104 O CYS A 70 30.883 -12.730 -12.405 1.00 43.33 O ATOM 1105 CB CYS A 70 27.871 -11.387 -11.630 1.00 20.33 C ATOM 1106 SG CYS A 70 27.488 -10.520 -10.075 1.00 14.55 S ATOM 0 H CYS A 70 29.003 -13.224 -9.448 1.00 13.20 H new ATOM 0 HA CYS A 70 28.460 -13.355 -12.264 1.00 34.03 H new ATOM 0 HB2 CYS A 70 28.423 -10.712 -12.284 1.00 20.33 H new ATOM 0 HB3 CYS A 70 26.938 -11.630 -12.138 1.00 20.33 H new ATOM 1111 N GLY A 71 30.644 -11.651 -10.445 1.00 63.34 N ATOM 1112 CA GLY A 71 32.049 -11.292 -10.372 1.00 35.40 C ATOM 1113 C GLY A 71 32.464 -10.348 -11.482 1.00 63.03 C ATOM 1114 O GLY A 71 33.655 -10.143 -11.718 1.00 41.32 O ATOM 0 H GLY A 71 30.077 -11.326 -9.661 1.00 63.34 H new ATOM 0 HA2 GLY A 71 32.252 -10.826 -9.408 1.00 35.40 H new ATOM 0 HA3 GLY A 71 32.655 -12.197 -10.423 1.00 35.40 H new ATOM 1118 N ARG A 72 31.481 -9.773 -12.167 1.00 62.02 N ATOM 1119 CA ARG A 72 31.751 -8.848 -13.261 1.00 4.42 C ATOM 1120 C ARG A 72 32.212 -7.494 -12.727 1.00 30.52 C ATOM 1121 O ARG A 72 33.394 -7.157 -12.798 1.00 73.23 O ATOM 1122 CB ARG A 72 30.502 -8.668 -14.126 1.00 25.32 C ATOM 1123 CG ARG A 72 30.331 -9.750 -15.180 1.00 44.42 C ATOM 1124 CD ARG A 72 31.352 -9.604 -16.298 1.00 61.20 C ATOM 1125 NE ARG A 72 30.727 -9.238 -17.566 1.00 12.00 N ATOM 1126 CZ ARG A 72 30.094 -10.103 -18.350 1.00 60.43 C ATOM 1127 NH1 ARG A 72 30.003 -11.378 -17.998 1.00 71.43 N ATOM 1128 NH2 ARG A 72 29.550 -9.694 -19.489 1.00 44.33 N ATOM 0 H ARG A 72 30.490 -9.931 -11.984 1.00 62.02 H new ATOM 0 HA ARG A 72 32.549 -9.270 -13.871 1.00 4.42 H new ATOM 0 HB2 ARG A 72 29.623 -8.657 -13.482 1.00 25.32 H new ATOM 0 HB3 ARG A 72 30.548 -7.697 -14.618 1.00 25.32 H new ATOM 0 HG2 ARG A 72 30.435 -10.731 -14.716 1.00 44.42 H new ATOM 0 HG3 ARG A 72 29.325 -9.699 -15.596 1.00 44.42 H new ATOM 0 HD2 ARG A 72 32.085 -8.845 -16.023 1.00 61.20 H new ATOM 0 HD3 ARG A 72 31.894 -10.542 -16.419 1.00 61.20 H new ATOM 0 HE ARG A 72 30.780 -8.265 -17.866 1.00 12.00 H new ATOM 0 HH11 ARG A 72 30.420 -11.697 -17.123 1.00 71.43 H new ATOM 0 HH12 ARG A 72 29.516 -12.040 -18.602 1.00 71.43 H new ATOM 0 HH21 ARG A 72 29.618 -8.714 -19.764 1.00 44.33 H new ATOM 0 HH22 ARG A 72 29.064 -10.360 -20.090 1.00 44.33 H new ATOM 1142 N SER A 73 31.270 -6.723 -12.192 1.00 64.43 N ATOM 1143 CA SER A 73 31.579 -5.405 -11.650 1.00 75.31 C ATOM 1144 C SER A 73 31.663 -5.450 -10.127 1.00 74.34 C ATOM 1145 O SER A 73 31.062 -6.312 -9.487 1.00 31.41 O ATOM 1146 CB SER A 73 30.518 -4.391 -12.084 1.00 20.51 C ATOM 1147 OG SER A 73 31.034 -3.072 -12.061 1.00 3.02 O ATOM 0 H SER A 73 30.288 -6.988 -12.122 1.00 64.43 H new ATOM 0 HA SER A 73 32.548 -5.096 -12.041 1.00 75.31 H new ATOM 0 HB2 SER A 73 30.170 -4.631 -13.089 1.00 20.51 H new ATOM 0 HB3 SER A 73 29.654 -4.458 -11.423 1.00 20.51 H new ATOM 0 HG SER A 73 30.338 -2.443 -12.344 1.00 3.02 H new ATOM 1153 N ALA A 74 32.413 -4.515 -9.555 1.00 11.33 N ATOM 1154 CA ALA A 74 32.575 -4.445 -8.108 1.00 32.22 C ATOM 1155 C ALA A 74 31.223 -4.454 -7.403 1.00 75.20 C ATOM 1156 O ALA A 74 31.102 -4.939 -6.278 1.00 44.24 O ATOM 1157 CB ALA A 74 33.364 -3.202 -7.724 1.00 73.01 C ATOM 0 H ALA A 74 32.918 -3.795 -10.071 1.00 11.33 H new ATOM 0 HA ALA A 74 33.129 -5.327 -7.787 1.00 32.22 H new ATOM 0 HB1 ALA A 74 33.477 -3.163 -6.641 1.00 73.01 H new ATOM 0 HB2 ALA A 74 34.348 -3.237 -8.191 1.00 73.01 H new ATOM 0 HB3 ALA A 74 32.832 -2.314 -8.065 1.00 73.01 H new ATOM 1163 N GLU A 75 30.208 -3.915 -8.072 1.00 1.22 N ATOM 1164 CA GLU A 75 28.865 -3.860 -7.507 1.00 72.12 C ATOM 1165 C GLU A 75 27.871 -4.606 -8.393 1.00 43.25 C ATOM 1166 O GLU A 75 27.595 -4.193 -9.520 1.00 42.32 O ATOM 1167 CB GLU A 75 28.419 -2.407 -7.334 1.00 2.43 C ATOM 1168 CG GLU A 75 28.703 -1.534 -8.545 1.00 60.30 C ATOM 1169 CD GLU A 75 27.697 -0.411 -8.704 1.00 31.03 C ATOM 1170 OE1 GLU A 75 26.546 -0.697 -9.096 1.00 63.25 O ATOM 1171 OE2 GLU A 75 28.059 0.753 -8.436 1.00 4.34 O ATOM 0 H GLU A 75 30.290 -3.511 -9.005 1.00 1.22 H new ATOM 0 HA GLU A 75 28.890 -4.344 -6.530 1.00 72.12 H new ATOM 0 HB2 GLU A 75 27.349 -2.387 -7.125 1.00 2.43 H new ATOM 0 HB3 GLU A 75 28.922 -1.983 -6.465 1.00 2.43 H new ATOM 0 HG2 GLU A 75 29.703 -1.111 -8.456 1.00 60.30 H new ATOM 0 HG3 GLU A 75 28.697 -2.152 -9.443 1.00 60.30 H new ATOM 1178 N CYS A 76 27.337 -5.707 -7.877 1.00 24.43 N ATOM 1179 CA CYS A 76 26.376 -6.513 -8.619 1.00 54.24 C ATOM 1180 C CYS A 76 24.992 -6.434 -7.981 1.00 30.24 C ATOM 1181 O CYS A 76 24.836 -6.668 -6.782 1.00 70.22 O ATOM 1182 CB CYS A 76 26.839 -7.970 -8.681 1.00 53.45 C ATOM 1183 SG CYS A 76 27.068 -8.606 -10.373 1.00 51.41 S ATOM 0 H CYS A 76 27.554 -6.062 -6.946 1.00 24.43 H new ATOM 0 HA CYS A 76 26.313 -6.116 -9.632 1.00 54.24 H new ATOM 0 HB2 CYS A 76 27.780 -8.065 -8.138 1.00 53.45 H new ATOM 0 HB3 CYS A 76 26.109 -8.594 -8.165 1.00 53.45 H new ATOM 1188 N SER A 77 23.991 -6.103 -8.790 1.00 34.43 N ATOM 1189 CA SER A 77 22.620 -5.990 -8.304 1.00 25.34 C ATOM 1190 C SER A 77 21.790 -7.196 -8.733 1.00 63.05 C ATOM 1191 O SER A 77 21.868 -7.640 -9.879 1.00 65.32 O ATOM 1192 CB SER A 77 21.977 -4.703 -8.823 1.00 4.13 C ATOM 1193 OG SER A 77 22.032 -4.640 -10.237 1.00 43.33 O ATOM 0 H SER A 77 24.103 -5.908 -9.785 1.00 34.43 H new ATOM 0 HA SER A 77 22.648 -5.960 -7.215 1.00 25.34 H new ATOM 0 HB2 SER A 77 20.939 -4.653 -8.494 1.00 4.13 H new ATOM 0 HB3 SER A 77 22.489 -3.840 -8.397 1.00 4.13 H new ATOM 0 HG SER A 77 21.613 -3.809 -10.544 1.00 43.33 H new ATOM 1199 N ILE A 78 20.996 -7.720 -7.806 1.00 61.32 N ATOM 1200 CA ILE A 78 20.151 -8.874 -8.089 1.00 15.54 C ATOM 1201 C ILE A 78 18.675 -8.531 -7.910 1.00 5.43 C ATOM 1202 O ILE A 78 18.308 -7.771 -7.013 1.00 32.44 O ATOM 1203 CB ILE A 78 20.503 -10.066 -7.180 1.00 13.14 C ATOM 1204 CG1 ILE A 78 21.963 -10.476 -7.382 1.00 51.21 C ATOM 1205 CG2 ILE A 78 19.574 -11.238 -7.460 1.00 1.11 C ATOM 1206 CD1 ILE A 78 22.856 -10.130 -6.211 1.00 54.30 C ATOM 0 H ILE A 78 20.920 -7.364 -6.853 1.00 61.32 H new ATOM 0 HA ILE A 78 20.334 -9.153 -9.127 1.00 15.54 H new ATOM 0 HB ILE A 78 20.371 -9.763 -6.141 1.00 13.14 H new ATOM 0 HG12 ILE A 78 22.009 -11.551 -7.558 1.00 51.21 H new ATOM 0 HG13 ILE A 78 22.348 -9.989 -8.278 1.00 51.21 H new ATOM 0 HG21 ILE A 78 19.835 -12.073 -6.810 1.00 1.11 H new ATOM 0 HG22 ILE A 78 18.543 -10.939 -7.270 1.00 1.11 H new ATOM 0 HG23 ILE A 78 19.677 -11.543 -8.501 1.00 1.11 H new ATOM 0 HD11 ILE A 78 23.876 -10.450 -6.424 1.00 54.30 H new ATOM 0 HD12 ILE A 78 22.840 -9.052 -6.047 1.00 54.30 H new ATOM 0 HD13 ILE A 78 22.496 -10.638 -5.316 1.00 54.30 H new ATOM 1218 N HIS A 79 17.834 -9.097 -8.769 1.00 15.43 N ATOM 1219 CA HIS A 79 16.397 -8.853 -8.704 1.00 51.23 C ATOM 1220 C HIS A 79 15.644 -10.132 -8.352 1.00 71.24 C ATOM 1221 O HIS A 79 15.998 -11.219 -8.810 1.00 64.51 O ATOM 1222 CB HIS A 79 15.892 -8.300 -10.037 1.00 71.25 C ATOM 1223 CG HIS A 79 16.754 -7.213 -10.600 1.00 43.34 C ATOM 1224 ND1 HIS A 79 17.689 -7.430 -11.591 1.00 13.01 N ATOM 1225 CD2 HIS A 79 16.819 -5.893 -10.307 1.00 51.12 C ATOM 1226 CE1 HIS A 79 18.292 -6.291 -11.881 1.00 71.25 C ATOM 1227 NE2 HIS A 79 17.782 -5.343 -11.117 1.00 0.43 N ATOM 0 H HIS A 79 18.122 -9.727 -9.518 1.00 15.43 H new ATOM 0 HA HIS A 79 16.213 -8.117 -7.921 1.00 51.23 H new ATOM 0 HB2 HIS A 79 15.831 -9.114 -10.759 1.00 71.25 H new ATOM 0 HB3 HIS A 79 14.880 -7.917 -9.902 1.00 71.25 H new ATOM 0 HD2 HIS A 79 16.224 -5.370 -9.573 1.00 51.12 H new ATOM 0 HE1 HIS A 79 19.070 -6.158 -12.618 1.00 71.25 H new ATOM 0 HE2 HIS A 79 18.058 -4.361 -11.127 1.00 0.43 H new ATOM 1235 N LEU A 80 14.604 -9.996 -7.537 1.00 4.43 N ATOM 1236 CA LEU A 80 13.801 -11.141 -7.123 1.00 2.14 C ATOM 1237 C LEU A 80 12.323 -10.771 -7.047 1.00 4.31 C ATOM 1238 O LEU A 80 11.975 -9.603 -6.880 1.00 54.53 O ATOM 1239 CB LEU A 80 14.279 -11.660 -5.765 1.00 51.32 C ATOM 1240 CG LEU A 80 13.476 -12.816 -5.169 1.00 24.55 C ATOM 1241 CD1 LEU A 80 14.379 -13.724 -4.347 1.00 73.32 C ATOM 1242 CD2 LEU A 80 12.331 -12.288 -4.317 1.00 42.12 C ATOM 0 H LEU A 80 14.297 -9.104 -7.150 1.00 4.43 H new ATOM 0 HA LEU A 80 13.922 -11.927 -7.869 1.00 2.14 H new ATOM 0 HB2 LEU A 80 15.317 -11.978 -5.865 1.00 51.32 H new ATOM 0 HB3 LEU A 80 14.266 -10.832 -5.057 1.00 51.32 H new ATOM 0 HG LEU A 80 13.054 -13.400 -5.987 1.00 24.55 H new ATOM 0 HD11 LEU A 80 13.791 -14.541 -3.930 1.00 73.32 H new ATOM 0 HD12 LEU A 80 15.164 -14.130 -4.985 1.00 73.32 H new ATOM 0 HD13 LEU A 80 14.830 -13.152 -3.536 1.00 73.32 H new ATOM 0 HD21 LEU A 80 11.771 -13.125 -3.901 1.00 42.12 H new ATOM 0 HD22 LEU A 80 12.731 -11.681 -3.505 1.00 42.12 H new ATOM 0 HD23 LEU A 80 11.670 -11.679 -4.933 1.00 42.12 H new ATOM 1254 N GLU A 81 11.460 -11.774 -7.169 1.00 21.45 N ATOM 1255 CA GLU A 81 10.020 -11.553 -7.112 1.00 71.32 C ATOM 1256 C GLU A 81 9.365 -12.488 -6.099 1.00 62.12 C ATOM 1257 O GLU A 81 9.477 -13.710 -6.202 1.00 52.23 O ATOM 1258 CB GLU A 81 9.395 -11.762 -8.493 1.00 61.03 C ATOM 1259 CG GLU A 81 9.097 -10.466 -9.229 1.00 21.24 C ATOM 1260 CD GLU A 81 8.116 -10.655 -10.369 1.00 71.13 C ATOM 1261 OE1 GLU A 81 8.334 -11.566 -11.195 1.00 53.23 O ATOM 1262 OE2 GLU A 81 7.130 -9.892 -10.435 1.00 53.52 O ATOM 0 H GLU A 81 11.733 -12.747 -7.308 1.00 21.45 H new ATOM 0 HA GLU A 81 9.849 -10.524 -6.795 1.00 71.32 H new ATOM 0 HB2 GLU A 81 10.068 -12.368 -9.099 1.00 61.03 H new ATOM 0 HB3 GLU A 81 8.470 -12.328 -8.382 1.00 61.03 H new ATOM 0 HG2 GLU A 81 8.695 -9.737 -8.525 1.00 21.24 H new ATOM 0 HG3 GLU A 81 10.027 -10.052 -9.620 1.00 21.24 H new ATOM 1269 N VAL A 82 8.682 -11.905 -5.120 1.00 0.55 N ATOM 1270 CA VAL A 82 8.009 -12.684 -4.088 1.00 14.24 C ATOM 1271 C VAL A 82 6.548 -12.929 -4.449 1.00 40.14 C ATOM 1272 O VAL A 82 5.728 -12.011 -4.417 1.00 33.11 O ATOM 1273 CB VAL A 82 8.076 -11.980 -2.719 1.00 70.02 C ATOM 1274 CG1 VAL A 82 7.691 -12.941 -1.605 1.00 24.13 C ATOM 1275 CG2 VAL A 82 9.465 -11.406 -2.484 1.00 12.14 C ATOM 0 H VAL A 82 8.580 -10.895 -5.020 1.00 0.55 H new ATOM 0 HA VAL A 82 8.530 -13.639 -4.023 1.00 14.24 H new ATOM 0 HB VAL A 82 7.362 -11.156 -2.717 1.00 70.02 H new ATOM 0 HG11 VAL A 82 7.744 -12.426 -0.646 1.00 24.13 H new ATOM 0 HG12 VAL A 82 6.675 -13.299 -1.769 1.00 24.13 H new ATOM 0 HG13 VAL A 82 8.378 -13.787 -1.601 1.00 24.13 H new ATOM 0 HG21 VAL A 82 9.495 -10.912 -1.513 1.00 12.14 H new ATOM 0 HG22 VAL A 82 10.200 -12.211 -2.505 1.00 12.14 H new ATOM 0 HG23 VAL A 82 9.697 -10.683 -3.266 1.00 12.14 H new ATOM 1285 N ILE A 83 6.230 -14.172 -4.793 1.00 62.34 N ATOM 1286 CA ILE A 83 4.868 -14.538 -5.160 1.00 33.43 C ATOM 1287 C ILE A 83 3.994 -14.713 -3.922 1.00 72.13 C ATOM 1288 O ILE A 83 4.209 -15.622 -3.120 1.00 71.13 O ATOM 1289 CB ILE A 83 4.836 -15.839 -5.984 1.00 45.11 C ATOM 1290 CG1 ILE A 83 5.862 -15.774 -7.118 1.00 31.41 C ATOM 1291 CG2 ILE A 83 3.441 -16.081 -6.538 1.00 75.33 C ATOM 1292 CD1 ILE A 83 7.178 -16.438 -6.780 1.00 65.43 C ATOM 0 H ILE A 83 6.897 -14.943 -4.825 1.00 62.34 H new ATOM 0 HA ILE A 83 4.476 -13.723 -5.768 1.00 33.43 H new ATOM 0 HB ILE A 83 5.095 -16.672 -5.331 1.00 45.11 H new ATOM 0 HG12 ILE A 83 5.442 -16.249 -8.005 1.00 31.41 H new ATOM 0 HG13 ILE A 83 6.046 -14.730 -7.372 1.00 31.41 H new ATOM 0 HG21 ILE A 83 3.435 -17.004 -7.118 1.00 75.33 H new ATOM 0 HG22 ILE A 83 2.732 -16.165 -5.714 1.00 75.33 H new ATOM 0 HG23 ILE A 83 3.155 -15.248 -7.180 1.00 75.33 H new ATOM 0 HD11 ILE A 83 7.857 -16.354 -7.629 1.00 65.43 H new ATOM 0 HD12 ILE A 83 7.620 -15.949 -5.912 1.00 65.43 H new ATOM 0 HD13 ILE A 83 7.007 -17.491 -6.555 1.00 65.43 H new ATOM 1304 N VAL A 84 3.005 -13.837 -3.774 1.00 43.21 N ATOM 1305 CA VAL A 84 2.096 -13.895 -2.636 1.00 31.51 C ATOM 1306 C VAL A 84 0.650 -14.050 -3.095 1.00 24.41 C ATOM 1307 O VAL A 84 0.177 -13.303 -3.951 1.00 15.02 O ATOM 1308 CB VAL A 84 2.212 -12.635 -1.759 1.00 2.40 C ATOM 1309 CG1 VAL A 84 3.494 -12.670 -0.940 1.00 55.10 C ATOM 1310 CG2 VAL A 84 2.154 -11.381 -2.619 1.00 14.03 C ATOM 0 H VAL A 84 2.813 -13.079 -4.428 1.00 43.21 H new ATOM 0 HA VAL A 84 2.383 -14.766 -2.047 1.00 31.51 H new ATOM 0 HB VAL A 84 1.369 -12.615 -1.069 1.00 2.40 H new ATOM 0 HG11 VAL A 84 3.558 -11.771 -0.327 1.00 55.10 H new ATOM 0 HG12 VAL A 84 3.490 -13.549 -0.296 1.00 55.10 H new ATOM 0 HG13 VAL A 84 4.353 -12.714 -1.610 1.00 55.10 H new ATOM 0 HG21 VAL A 84 2.237 -10.500 -1.983 1.00 14.03 H new ATOM 0 HG22 VAL A 84 2.977 -11.392 -3.334 1.00 14.03 H new ATOM 0 HG23 VAL A 84 1.206 -11.352 -3.157 1.00 14.03 H new ATOM 1320 N ASP A 85 -0.046 -15.025 -2.520 1.00 2.21 N ATOM 1321 CA ASP A 85 -1.439 -15.277 -2.868 1.00 71.44 C ATOM 1322 C ASP A 85 -2.375 -14.730 -1.795 1.00 74.34 C ATOM 1323 O ASP A 85 -2.339 -15.166 -0.645 1.00 23.33 O ATOM 1324 CB ASP A 85 -1.677 -16.777 -3.054 1.00 41.21 C ATOM 1325 CG ASP A 85 -2.360 -17.096 -4.369 1.00 73.11 C ATOM 1326 OD1 ASP A 85 -2.065 -16.414 -5.373 1.00 25.11 O ATOM 1327 OD2 ASP A 85 -3.190 -18.029 -4.395 1.00 12.41 O ATOM 0 H ASP A 85 0.332 -15.653 -1.811 1.00 2.21 H new ATOM 0 HA ASP A 85 -1.652 -14.764 -3.806 1.00 71.44 H new ATOM 0 HB2 ASP A 85 -0.723 -17.302 -3.007 1.00 41.21 H new ATOM 0 HB3 ASP A 85 -2.287 -17.150 -2.231 1.00 41.21 H new ATOM 1332 N ARG A 86 -3.213 -13.773 -2.180 1.00 45.52 N ATOM 1333 CA ARG A 86 -4.157 -13.164 -1.251 1.00 24.24 C ATOM 1334 C ARG A 86 -3.428 -12.315 -0.213 1.00 43.14 C ATOM 1335 O ARG A 86 -3.110 -12.770 0.886 1.00 74.14 O ATOM 1336 CB ARG A 86 -4.984 -14.244 -0.551 1.00 21.11 C ATOM 1337 CG ARG A 86 -6.431 -13.844 -0.313 1.00 22.15 C ATOM 1338 CD ARG A 86 -6.623 -13.250 1.074 1.00 53.00 C ATOM 1339 NE ARG A 86 -7.804 -12.394 1.143 1.00 13.34 N ATOM 1340 CZ ARG A 86 -9.046 -12.859 1.221 1.00 70.15 C ATOM 1341 NH1 ARG A 86 -9.268 -14.166 1.239 1.00 63.25 N ATOM 1342 NH2 ARG A 86 -10.069 -12.016 1.280 1.00 32.44 N ATOM 0 H ARG A 86 -3.257 -13.403 -3.129 1.00 45.52 H new ATOM 0 HA ARG A 86 -4.823 -12.517 -1.821 1.00 24.24 H new ATOM 0 HB2 ARG A 86 -4.961 -15.153 -1.152 1.00 21.11 H new ATOM 0 HB3 ARG A 86 -4.520 -14.482 0.406 1.00 21.11 H new ATOM 0 HG2 ARG A 86 -6.738 -13.119 -1.066 1.00 22.15 H new ATOM 0 HG3 ARG A 86 -7.075 -14.716 -0.429 1.00 22.15 H new ATOM 0 HD2 ARG A 86 -6.715 -14.055 1.804 1.00 53.00 H new ATOM 0 HD3 ARG A 86 -5.740 -12.672 1.347 1.00 53.00 H new ATOM 0 HE ARG A 86 -7.668 -11.383 1.131 1.00 13.34 H new ATOM 0 HH11 ARG A 86 -8.484 -14.817 1.193 1.00 63.25 H new ATOM 0 HH12 ARG A 86 -10.223 -14.520 1.299 1.00 63.25 H new ATOM 0 HH21 ARG A 86 -9.902 -11.010 1.265 1.00 32.44 H new ATOM 0 HH22 ARG A 86 -11.022 -12.374 1.340 1.00 32.44 H new ATOM 1356 N PRO A 87 -3.155 -11.051 -0.569 1.00 41.23 N ATOM 1357 CA PRO A 87 -3.527 -10.498 -1.875 1.00 33.00 C ATOM 1358 C PRO A 87 -2.710 -11.099 -3.013 1.00 45.53 C ATOM 1359 O PRO A 87 -1.622 -11.634 -2.795 1.00 1.12 O ATOM 1360 CB PRO A 87 -3.223 -9.005 -1.728 1.00 33.01 C ATOM 1361 CG PRO A 87 -2.172 -8.934 -0.674 1.00 73.44 C ATOM 1362 CD PRO A 87 -2.461 -10.064 0.275 1.00 14.23 C ATOM 0 HA PRO A 87 -4.565 -10.712 -2.127 1.00 33.00 H new ATOM 0 HB2 PRO A 87 -2.871 -8.578 -2.667 1.00 33.01 H new ATOM 0 HB3 PRO A 87 -4.113 -8.447 -1.438 1.00 33.01 H new ATOM 0 HG2 PRO A 87 -1.177 -9.033 -1.108 1.00 73.44 H new ATOM 0 HG3 PRO A 87 -2.201 -7.974 -0.158 1.00 73.44 H new ATOM 0 HD2 PRO A 87 -1.546 -10.474 0.702 1.00 14.23 H new ATOM 0 HD3 PRO A 87 -3.084 -9.739 1.108 1.00 14.23 H new ATOM 1370 N LEU A 88 -3.239 -11.006 -4.228 1.00 64.23 N ATOM 1371 CA LEU A 88 -2.557 -11.540 -5.402 1.00 61.23 C ATOM 1372 C LEU A 88 -1.648 -10.488 -6.029 1.00 65.34 C ATOM 1373 O LEU A 88 -2.118 -9.560 -6.685 1.00 53.43 O ATOM 1374 CB LEU A 88 -3.578 -12.027 -6.432 1.00 30.32 C ATOM 1375 CG LEU A 88 -3.637 -13.539 -6.656 1.00 4.32 C ATOM 1376 CD1 LEU A 88 -5.071 -14.037 -6.565 1.00 3.42 C ATOM 1377 CD2 LEU A 88 -3.028 -13.902 -8.002 1.00 73.35 C ATOM 0 H LEU A 88 -4.138 -10.566 -4.426 1.00 64.23 H new ATOM 0 HA LEU A 88 -1.942 -12.382 -5.083 1.00 61.23 H new ATOM 0 HB2 LEU A 88 -4.566 -11.687 -6.123 1.00 30.32 H new ATOM 0 HB3 LEU A 88 -3.359 -11.547 -7.386 1.00 30.32 H new ATOM 0 HG LEU A 88 -3.056 -14.026 -5.873 1.00 4.32 H new ATOM 0 HD11 LEU A 88 -5.093 -15.115 -6.727 1.00 3.42 H new ATOM 0 HD12 LEU A 88 -5.473 -13.810 -5.577 1.00 3.42 H new ATOM 0 HD13 LEU A 88 -5.676 -13.543 -7.325 1.00 3.42 H new ATOM 0 HD21 LEU A 88 -3.078 -14.981 -8.145 1.00 73.35 H new ATOM 0 HD22 LEU A 88 -3.582 -13.404 -8.798 1.00 73.35 H new ATOM 0 HD23 LEU A 88 -1.987 -13.581 -8.029 1.00 73.35 H new ATOM 1389 N GLN A 89 -0.343 -10.643 -5.824 1.00 55.24 N ATOM 1390 CA GLN A 89 0.631 -9.707 -6.372 1.00 5.35 C ATOM 1391 C GLN A 89 2.055 -10.173 -6.084 1.00 32.00 C ATOM 1392 O GLN A 89 2.266 -11.252 -5.529 1.00 54.42 O ATOM 1393 CB GLN A 89 0.412 -8.310 -5.788 1.00 0.13 C ATOM 1394 CG GLN A 89 -0.031 -7.283 -6.817 1.00 41.13 C ATOM 1395 CD GLN A 89 1.135 -6.542 -7.442 1.00 21.13 C ATOM 1396 OE1 GLN A 89 1.893 -5.860 -6.752 1.00 23.03 O ATOM 1397 NE2 GLN A 89 1.285 -6.673 -8.755 1.00 11.44 N ATOM 0 H GLN A 89 0.063 -11.407 -5.283 1.00 55.24 H new ATOM 0 HA GLN A 89 0.492 -9.668 -7.452 1.00 5.35 H new ATOM 0 HB2 GLN A 89 -0.338 -8.369 -4.999 1.00 0.13 H new ATOM 0 HB3 GLN A 89 1.338 -7.970 -5.323 1.00 0.13 H new ATOM 0 HG2 GLN A 89 -0.601 -7.782 -7.600 1.00 41.13 H new ATOM 0 HG3 GLN A 89 -0.701 -6.565 -6.343 1.00 41.13 H new ATOM 0 HE21 GLN A 89 0.633 -7.249 -9.288 1.00 11.44 H new ATOM 0 HE22 GLN A 89 2.052 -6.198 -9.231 1.00 11.44 H new ATOM 1406 N VAL A 90 3.029 -9.353 -6.465 1.00 63.45 N ATOM 1407 CA VAL A 90 4.433 -9.681 -6.248 1.00 22.41 C ATOM 1408 C VAL A 90 5.165 -8.535 -5.559 1.00 60.02 C ATOM 1409 O VAL A 90 4.782 -7.372 -5.689 1.00 74.31 O ATOM 1410 CB VAL A 90 5.145 -10.008 -7.574 1.00 44.41 C ATOM 1411 CG1 VAL A 90 6.527 -10.587 -7.310 1.00 52.11 C ATOM 1412 CG2 VAL A 90 4.307 -10.965 -8.407 1.00 71.12 C ATOM 0 H VAL A 90 2.872 -8.457 -6.926 1.00 63.45 H new ATOM 0 HA VAL A 90 4.457 -10.561 -5.606 1.00 22.41 H new ATOM 0 HB VAL A 90 5.267 -9.083 -8.138 1.00 44.41 H new ATOM 0 HG11 VAL A 90 7.015 -10.812 -8.259 1.00 52.11 H new ATOM 0 HG12 VAL A 90 7.125 -9.863 -6.757 1.00 52.11 H new ATOM 0 HG13 VAL A 90 6.433 -11.502 -6.725 1.00 52.11 H new ATOM 0 HG21 VAL A 90 4.826 -11.185 -9.340 1.00 71.12 H new ATOM 0 HG22 VAL A 90 4.151 -11.890 -7.852 1.00 71.12 H new ATOM 0 HG23 VAL A 90 3.343 -10.507 -8.627 1.00 71.12 H new ATOM 1422 N PHE A 91 6.222 -8.870 -4.826 1.00 75.42 N ATOM 1423 CA PHE A 91 7.008 -7.869 -4.116 1.00 1.13 C ATOM 1424 C PHE A 91 8.368 -7.674 -4.780 1.00 22.24 C ATOM 1425 O PHE A 91 9.010 -8.638 -5.199 1.00 44.43 O ATOM 1426 CB PHE A 91 7.196 -8.280 -2.654 1.00 13.22 C ATOM 1427 CG PHE A 91 5.903 -8.450 -1.908 1.00 71.25 C ATOM 1428 CD1 PHE A 91 4.881 -7.524 -2.047 1.00 22.45 C ATOM 1429 CD2 PHE A 91 5.709 -9.536 -1.070 1.00 60.23 C ATOM 1430 CE1 PHE A 91 3.691 -7.679 -1.361 1.00 51.51 C ATOM 1431 CE2 PHE A 91 4.521 -9.696 -0.383 1.00 13.24 C ATOM 1432 CZ PHE A 91 3.510 -8.766 -0.529 1.00 70.21 C ATOM 0 H PHE A 91 6.554 -9.827 -4.709 1.00 75.42 H new ATOM 0 HA PHE A 91 6.466 -6.924 -4.154 1.00 1.13 H new ATOM 0 HB2 PHE A 91 7.753 -9.216 -2.617 1.00 13.22 H new ATOM 0 HB3 PHE A 91 7.802 -7.528 -2.148 1.00 13.22 H new ATOM 0 HD1 PHE A 91 5.016 -6.673 -2.698 1.00 22.45 H new ATOM 0 HD2 PHE A 91 6.496 -10.266 -0.952 1.00 60.23 H new ATOM 0 HE1 PHE A 91 2.903 -6.950 -1.476 1.00 51.51 H new ATOM 0 HE2 PHE A 91 4.383 -10.547 0.267 1.00 13.24 H new ATOM 0 HZ PHE A 91 2.580 -8.889 0.006 1.00 70.21 H new ATOM 1442 N HIS A 92 8.801 -6.421 -4.872 1.00 2.24 N ATOM 1443 CA HIS A 92 10.085 -6.099 -5.484 1.00 50.54 C ATOM 1444 C HIS A 92 11.223 -6.266 -4.482 1.00 12.11 C ATOM 1445 O HIS A 92 11.353 -5.485 -3.539 1.00 21.20 O ATOM 1446 CB HIS A 92 10.072 -4.668 -6.024 1.00 74.11 C ATOM 1447 CG HIS A 92 10.046 -4.592 -7.520 1.00 30.43 C ATOM 1448 ND1 HIS A 92 11.015 -5.161 -8.319 1.00 21.32 N ATOM 1449 CD2 HIS A 92 9.160 -4.011 -8.362 1.00 33.33 C ATOM 1450 CE1 HIS A 92 10.727 -4.932 -9.587 1.00 41.15 C ATOM 1451 NE2 HIS A 92 9.606 -4.236 -9.641 1.00 35.31 N ATOM 0 H HIS A 92 8.282 -5.612 -4.531 1.00 2.24 H new ATOM 0 HA HIS A 92 10.248 -6.791 -6.311 1.00 50.54 H new ATOM 0 HB2 HIS A 92 9.201 -4.147 -5.627 1.00 74.11 H new ATOM 0 HB3 HIS A 92 10.953 -4.142 -5.657 1.00 74.11 H new ATOM 0 HD2 HIS A 92 8.268 -3.471 -8.080 1.00 33.33 H new ATOM 0 HE1 HIS A 92 11.309 -5.258 -10.436 1.00 41.15 H new ATOM 0 HE2 HIS A 92 9.146 -3.917 -10.494 1.00 35.31 H new ATOM 1459 N VAL A 93 12.044 -7.290 -4.692 1.00 2.23 N ATOM 1460 CA VAL A 93 13.171 -7.560 -3.807 1.00 2.42 C ATOM 1461 C VAL A 93 14.496 -7.429 -4.549 1.00 43.41 C ATOM 1462 O VAL A 93 14.716 -8.085 -5.566 1.00 40.05 O ATOM 1463 CB VAL A 93 13.077 -8.968 -3.192 1.00 30.54 C ATOM 1464 CG1 VAL A 93 14.304 -9.264 -2.343 1.00 44.02 C ATOM 1465 CG2 VAL A 93 11.805 -9.106 -2.369 1.00 74.44 C ATOM 0 H VAL A 93 11.950 -7.946 -5.467 1.00 2.23 H new ATOM 0 HA VAL A 93 13.130 -6.819 -3.008 1.00 2.42 H new ATOM 0 HB VAL A 93 13.040 -9.697 -4.002 1.00 30.54 H new ATOM 0 HG11 VAL A 93 14.219 -10.264 -1.917 1.00 44.02 H new ATOM 0 HG12 VAL A 93 15.198 -9.209 -2.964 1.00 44.02 H new ATOM 0 HG13 VAL A 93 14.375 -8.532 -1.539 1.00 44.02 H new ATOM 0 HG21 VAL A 93 11.755 -10.108 -1.942 1.00 74.44 H new ATOM 0 HG22 VAL A 93 11.809 -8.369 -1.566 1.00 74.44 H new ATOM 0 HG23 VAL A 93 10.938 -8.941 -3.009 1.00 74.44 H new ATOM 1475 N GLU A 94 15.376 -6.577 -4.032 1.00 43.33 N ATOM 1476 CA GLU A 94 16.681 -6.360 -4.647 1.00 55.22 C ATOM 1477 C GLU A 94 17.801 -6.564 -3.632 1.00 64.11 C ATOM 1478 O GLU A 94 17.870 -5.870 -2.618 1.00 1.50 O ATOM 1479 CB GLU A 94 16.763 -4.951 -5.238 1.00 12.44 C ATOM 1480 CG GLU A 94 15.643 -4.634 -6.215 1.00 1.45 C ATOM 1481 CD GLU A 94 16.108 -3.778 -7.377 1.00 11.22 C ATOM 1482 OE1 GLU A 94 17.202 -4.049 -7.914 1.00 31.10 O ATOM 1483 OE2 GLU A 94 15.376 -2.836 -7.749 1.00 64.42 O ATOM 0 H GLU A 94 15.209 -6.026 -3.190 1.00 43.33 H new ATOM 0 HA GLU A 94 16.803 -7.089 -5.448 1.00 55.22 H new ATOM 0 HB2 GLU A 94 16.742 -4.224 -4.426 1.00 12.44 H new ATOM 0 HB3 GLU A 94 17.720 -4.834 -5.746 1.00 12.44 H new ATOM 0 HG2 GLU A 94 15.226 -5.565 -6.599 1.00 1.45 H new ATOM 0 HG3 GLU A 94 14.840 -4.119 -5.687 1.00 1.45 H new ATOM 1490 N VAL A 95 18.678 -7.523 -3.912 1.00 63.14 N ATOM 1491 CA VAL A 95 19.797 -7.820 -3.025 1.00 53.53 C ATOM 1492 C VAL A 95 21.130 -7.522 -3.703 1.00 15.22 C ATOM 1493 O VAL A 95 21.441 -8.082 -4.753 1.00 42.33 O ATOM 1494 CB VAL A 95 19.780 -9.292 -2.574 1.00 62.23 C ATOM 1495 CG1 VAL A 95 18.594 -9.558 -1.661 1.00 15.24 C ATOM 1496 CG2 VAL A 95 19.752 -10.218 -3.781 1.00 23.21 C ATOM 0 H VAL A 95 18.635 -8.108 -4.747 1.00 63.14 H new ATOM 0 HA VAL A 95 19.687 -7.179 -2.150 1.00 53.53 H new ATOM 0 HB VAL A 95 20.692 -9.492 -2.012 1.00 62.23 H new ATOM 0 HG11 VAL A 95 18.599 -10.604 -1.353 1.00 15.24 H new ATOM 0 HG12 VAL A 95 18.663 -8.920 -0.780 1.00 15.24 H new ATOM 0 HG13 VAL A 95 17.668 -9.342 -2.194 1.00 15.24 H new ATOM 0 HG21 VAL A 95 19.740 -11.255 -3.444 1.00 23.21 H new ATOM 0 HG22 VAL A 95 18.858 -10.018 -4.372 1.00 23.21 H new ATOM 0 HG23 VAL A 95 20.637 -10.045 -4.393 1.00 23.21 H new ATOM 1506 N GLU A 96 21.912 -6.637 -3.093 1.00 43.25 N ATOM 1507 CA GLU A 96 23.212 -6.265 -3.639 1.00 43.51 C ATOM 1508 C GLU A 96 24.333 -7.037 -2.949 1.00 2.50 C ATOM 1509 O GLU A 96 24.189 -7.474 -1.807 1.00 64.34 O ATOM 1510 CB GLU A 96 23.444 -4.760 -3.484 1.00 34.03 C ATOM 1511 CG GLU A 96 22.317 -3.910 -4.046 1.00 11.30 C ATOM 1512 CD GLU A 96 22.816 -2.630 -4.689 1.00 25.43 C ATOM 1513 OE1 GLU A 96 23.276 -1.735 -3.950 1.00 43.11 O ATOM 1514 OE2 GLU A 96 22.748 -2.525 -5.931 1.00 75.44 O ATOM 0 H GLU A 96 21.669 -6.165 -2.222 1.00 43.25 H new ATOM 0 HA GLU A 96 23.218 -6.519 -4.699 1.00 43.51 H new ATOM 0 HB2 GLU A 96 23.571 -4.527 -2.427 1.00 34.03 H new ATOM 0 HB3 GLU A 96 24.375 -4.491 -3.983 1.00 34.03 H new ATOM 0 HG2 GLU A 96 21.762 -4.490 -4.783 1.00 11.30 H new ATOM 0 HG3 GLU A 96 21.620 -3.662 -3.245 1.00 11.30 H new ATOM 1521 N VAL A 97 25.450 -7.200 -3.651 1.00 22.22 N ATOM 1522 CA VAL A 97 26.597 -7.918 -3.107 1.00 34.52 C ATOM 1523 C VAL A 97 27.638 -6.953 -2.553 1.00 12.52 C ATOM 1524 O VAL A 97 28.110 -6.061 -3.258 1.00 53.24 O ATOM 1525 CB VAL A 97 27.257 -8.812 -4.174 1.00 1.43 C ATOM 1526 CG1 VAL A 97 26.440 -10.076 -4.393 1.00 12.44 C ATOM 1527 CG2 VAL A 97 27.429 -8.046 -5.477 1.00 3.22 C ATOM 0 H VAL A 97 25.585 -6.845 -4.598 1.00 22.22 H new ATOM 0 HA VAL A 97 26.223 -8.546 -2.299 1.00 34.52 H new ATOM 0 HB VAL A 97 28.245 -9.105 -3.817 1.00 1.43 H new ATOM 0 HG11 VAL A 97 26.922 -10.694 -5.150 1.00 12.44 H new ATOM 0 HG12 VAL A 97 26.373 -10.633 -3.458 1.00 12.44 H new ATOM 0 HG13 VAL A 97 25.438 -9.808 -4.728 1.00 12.44 H new ATOM 0 HG21 VAL A 97 27.897 -8.692 -6.220 1.00 3.22 H new ATOM 0 HG22 VAL A 97 26.454 -7.722 -5.840 1.00 3.22 H new ATOM 0 HG23 VAL A 97 28.060 -7.174 -5.306 1.00 3.22 H new ATOM 1537 N ARG A 98 27.992 -7.137 -1.285 1.00 44.52 N ATOM 1538 CA ARG A 98 28.978 -6.281 -0.636 1.00 11.33 C ATOM 1539 C ARG A 98 30.321 -6.994 -0.513 1.00 20.40 C ATOM 1540 O ARG A 98 30.447 -7.981 0.212 1.00 31.31 O ATOM 1541 CB ARG A 98 28.484 -5.859 0.749 1.00 2.53 C ATOM 1542 CG ARG A 98 28.436 -4.352 0.946 1.00 63.12 C ATOM 1543 CD ARG A 98 29.086 -3.940 2.258 1.00 71.44 C ATOM 1544 NE ARG A 98 29.617 -2.581 2.203 1.00 54.13 N ATOM 1545 CZ ARG A 98 30.769 -2.265 1.623 1.00 4.12 C ATOM 1546 NH1 ARG A 98 31.508 -3.206 1.052 1.00 71.22 N ATOM 1547 NH2 ARG A 98 31.185 -1.005 1.614 1.00 43.10 N ATOM 0 H ARG A 98 27.611 -7.870 -0.687 1.00 44.52 H new ATOM 0 HA ARG A 98 29.113 -5.393 -1.253 1.00 11.33 H new ATOM 0 HB2 ARG A 98 27.487 -6.270 0.911 1.00 2.53 H new ATOM 0 HB3 ARG A 98 29.135 -6.295 1.506 1.00 2.53 H new ATOM 0 HG2 ARG A 98 28.944 -3.859 0.117 1.00 63.12 H new ATOM 0 HG3 ARG A 98 27.400 -4.015 0.931 1.00 63.12 H new ATOM 0 HD2 ARG A 98 28.354 -4.011 3.063 1.00 71.44 H new ATOM 0 HD3 ARG A 98 29.891 -4.634 2.497 1.00 71.44 H new ATOM 0 HE ARG A 98 29.073 -1.833 2.634 1.00 54.13 H new ATOM 0 HH11 ARG A 98 31.192 -4.176 1.057 1.00 71.22 H new ATOM 0 HH12 ARG A 98 32.392 -2.960 0.607 1.00 71.22 H new ATOM 0 HH21 ARG A 98 30.620 -0.278 2.053 1.00 43.10 H new ATOM 0 HH22 ARG A 98 32.070 -0.763 1.168 1.00 43.10 H new ATOM 1561 N ASP A 99 31.321 -6.489 -1.227 1.00 11.25 N ATOM 1562 CA ASP A 99 32.655 -7.077 -1.197 1.00 70.14 C ATOM 1563 C ASP A 99 33.610 -6.302 -2.100 1.00 24.34 C ATOM 1564 O ASP A 99 33.281 -5.219 -2.584 1.00 72.44 O ATOM 1565 CB ASP A 99 32.599 -8.543 -1.632 1.00 11.51 C ATOM 1566 CG ASP A 99 33.200 -9.476 -0.599 1.00 54.13 C ATOM 1567 OD1 ASP A 99 32.983 -9.243 0.609 1.00 71.34 O ATOM 1568 OD2 ASP A 99 33.886 -10.440 -0.999 1.00 54.40 O ATOM 0 H ASP A 99 31.233 -5.674 -1.834 1.00 11.25 H new ATOM 0 HA ASP A 99 33.027 -7.024 -0.174 1.00 70.14 H new ATOM 0 HB2 ASP A 99 31.562 -8.826 -1.813 1.00 11.51 H new ATOM 0 HB3 ASP A 99 33.131 -8.660 -2.576 1.00 11.51 H new ATOM 1573 N ILE A 100 34.795 -6.864 -2.319 1.00 55.44 N ATOM 1574 CA ILE A 100 35.797 -6.225 -3.163 1.00 61.21 C ATOM 1575 C ILE A 100 35.988 -6.993 -4.467 1.00 24.14 C ATOM 1576 O ILE A 100 35.697 -8.186 -4.545 1.00 2.25 O ATOM 1577 CB ILE A 100 37.153 -6.116 -2.441 1.00 42.42 C ATOM 1578 CG1 ILE A 100 37.601 -7.490 -1.940 1.00 2.02 C ATOM 1579 CG2 ILE A 100 37.061 -5.129 -1.287 1.00 15.11 C ATOM 1580 CD1 ILE A 100 39.038 -7.522 -1.469 1.00 23.34 C ATOM 0 H ILE A 100 35.084 -7.759 -1.924 1.00 55.44 H new ATOM 0 HA ILE A 100 35.431 -5.223 -3.385 1.00 61.21 H new ATOM 0 HB ILE A 100 37.896 -5.749 -3.149 1.00 42.42 H new ATOM 0 HG12 ILE A 100 36.952 -7.799 -1.121 1.00 2.02 H new ATOM 0 HG13 ILE A 100 37.473 -8.219 -2.740 1.00 2.02 H new ATOM 0 HG21 ILE A 100 38.027 -5.063 -0.787 1.00 15.11 H new ATOM 0 HG22 ILE A 100 36.783 -4.147 -1.669 1.00 15.11 H new ATOM 0 HG23 ILE A 100 36.307 -5.469 -0.577 1.00 15.11 H new ATOM 0 HD11 ILE A 100 39.287 -8.527 -1.128 1.00 23.34 H new ATOM 0 HD12 ILE A 100 39.697 -7.245 -2.292 1.00 23.34 H new ATOM 0 HD13 ILE A 100 39.167 -6.818 -0.647 1.00 23.34 H new