USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 764 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 81 HIS : no HD1:sc= -11.7! C(o=-30!,f=-22!) USER MOD Set 1.2: A 88 HIS : no HE2:sc= -18.2! C(o=-30!,f=-25!) USER MOD Set 2.1: A 66 ASN : amide:sc= -1.6 K(o=-2.9,f=-4.7!) USER MOD Set 2.2: A 87 SER OG : rot -62:sc= -1.31 USER MOD Set 3.1: A 43 SER OG : rot -170:sc= -4.05! USER MOD Set 3.2: A 52 HIS : no HE2:sc= -8.05! C(o=-12!,f=-17!) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 47:sc= 0.28 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -16.2! C(o=-16!,f=-23!) USER MOD Single : A 25 THR OG1 : rot 21:sc= 0.0718 USER MOD Single : A 33 SER OG : rot 140:sc= 0.315 USER MOD Single : A 35 LYS NZ :NH3+ -130:sc= -0.659 (180deg=-2.38) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -23:sc= 0.484 USER MOD Single : A 48 GLN : amide:sc= -0.0109 K(o=-0.011,f=-0.87) USER MOD Single : A 53 TYR OH : rot -163:sc= -2.95 USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= 1.41 (180deg=1.02) USER MOD Single : A 64 HIS : no HD1:sc= -4.8 X(o=-4.8,f=-4.8!) USER MOD Single : A 70 SER OG : rot 16:sc= -0.0214 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0226 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= -2.28 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 85 SER OG : rot 180:sc= -1.65 USER MOD Single : A 96 CYS SG : rot 180:sc= -1.01 USER MOD ----------------------------------------------------------------- ATOM 29 N PRO A 3 5.927 1.674 4.637 1.00 0.00 N ATOM 30 CA PRO A 3 4.484 1.688 4.375 1.00 0.00 C ATOM 31 C PRO A 3 3.660 1.665 5.657 1.00 0.00 C ATOM 32 O PRO A 3 2.588 2.262 5.731 1.00 0.00 O ATOM 33 CB PRO A 3 4.277 0.365 3.636 1.00 0.00 C ATOM 34 CG PRO A 3 5.278 -0.551 4.246 1.00 0.00 C ATOM 35 CD PRO A 3 6.479 0.301 4.567 1.00 0.00 C ATOM 0 HA PRO A 3 4.174 2.583 3.835 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.262 -0.010 3.766 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.440 0.477 2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.880 -1.020 5.146 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.542 -1.354 3.558 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.939 0.006 5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.247 0.217 3.798 1.00 0.00 H new ATOM 43 N TRP A 4 4.156 0.931 6.651 1.00 0.00 N ATOM 44 CA TRP A 4 3.461 0.770 7.924 1.00 0.00 C ATOM 45 C TRP A 4 2.316 -0.222 7.743 1.00 0.00 C ATOM 46 O TRP A 4 1.200 0.154 7.379 1.00 0.00 O ATOM 47 CB TRP A 4 2.938 2.110 8.463 1.00 0.00 C ATOM 48 CG TRP A 4 3.847 2.737 9.475 1.00 0.00 C ATOM 49 CD1 TRP A 4 5.034 3.365 9.230 1.00 0.00 C ATOM 50 CD2 TRP A 4 3.646 2.799 10.893 1.00 0.00 C ATOM 51 NE1 TRP A 4 5.584 3.813 10.406 1.00 0.00 N ATOM 52 CE2 TRP A 4 4.752 3.479 11.441 1.00 0.00 C ATOM 53 CE3 TRP A 4 2.640 2.347 11.752 1.00 0.00 C ATOM 54 CZ2 TRP A 4 4.877 3.716 12.807 1.00 0.00 C ATOM 55 CZ3 TRP A 4 2.766 2.583 13.108 1.00 0.00 C ATOM 56 CH2 TRP A 4 3.878 3.262 13.624 1.00 0.00 C ATOM 0 H TRP A 4 5.045 0.434 6.597 1.00 0.00 H new ATOM 0 HA TRP A 4 4.168 0.388 8.660 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.802 2.800 7.630 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.957 1.955 8.913 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.477 3.491 8.253 1.00 0.00 H new ATOM 0 HE1 TRP A 4 6.469 4.313 10.494 1.00 0.00 H new ATOM 0 HE3 TRP A 4 1.780 1.823 11.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 5.732 4.240 13.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 1.995 2.238 13.781 1.00 0.00 H new ATOM 0 HH2 TRP A 4 3.948 3.430 14.689 1.00 0.00 H new ATOM 67 N PHE A 5 2.615 -1.496 7.971 1.00 0.00 N ATOM 68 CA PHE A 5 1.628 -2.558 7.812 1.00 0.00 C ATOM 69 C PHE A 5 0.550 -2.480 8.884 1.00 0.00 C ATOM 70 O PHE A 5 0.839 -2.529 10.079 1.00 0.00 O ATOM 71 CB PHE A 5 2.303 -3.932 7.859 1.00 0.00 C ATOM 72 CG PHE A 5 3.645 -3.975 7.183 1.00 0.00 C ATOM 73 CD1 PHE A 5 3.741 -3.908 5.803 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.807 -4.081 7.928 1.00 0.00 C ATOM 75 CE1 PHE A 5 4.973 -3.946 5.178 1.00 0.00 C ATOM 76 CE2 PHE A 5 6.043 -4.120 7.309 1.00 0.00 C ATOM 77 CZ PHE A 5 6.126 -4.052 5.932 1.00 0.00 C ATOM 0 H PHE A 5 3.536 -1.819 8.267 1.00 0.00 H new ATOM 0 HA PHE A 5 1.156 -2.422 6.839 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.422 -4.232 8.900 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.647 -4.665 7.389 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.843 -3.825 5.209 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.748 -4.134 9.005 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.035 -3.893 4.101 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.942 -4.204 7.901 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.090 -4.082 5.446 1.00 0.00 H new ATOM 87 N PHE A 6 -0.694 -2.373 8.440 1.00 0.00 N ATOM 88 CA PHE A 6 -1.831 -2.305 9.346 1.00 0.00 C ATOM 89 C PHE A 6 -2.910 -3.277 8.885 1.00 0.00 C ATOM 90 O PHE A 6 -3.725 -2.949 8.029 1.00 0.00 O ATOM 91 CB PHE A 6 -2.387 -0.880 9.396 1.00 0.00 C ATOM 92 CG PHE A 6 -2.225 -0.220 10.735 1.00 0.00 C ATOM 93 CD1 PHE A 6 -3.104 -0.498 11.770 1.00 0.00 C ATOM 94 CD2 PHE A 6 -1.196 0.681 10.959 1.00 0.00 C ATOM 95 CE1 PHE A 6 -2.958 0.108 13.003 1.00 0.00 C ATOM 96 CE2 PHE A 6 -1.045 1.291 12.190 1.00 0.00 C ATOM 97 CZ PHE A 6 -1.927 1.004 13.214 1.00 0.00 C ATOM 0 H PHE A 6 -0.942 -2.331 7.452 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.505 -2.582 10.349 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -1.886 -0.276 8.639 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.445 -0.902 9.137 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.912 -1.196 11.611 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -0.504 0.909 10.162 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.649 -0.118 13.801 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.239 1.991 12.351 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.811 1.479 14.177 1.00 0.00 H new ATOM 107 N GLY A 7 -2.905 -4.477 9.453 1.00 0.00 N ATOM 108 CA GLY A 7 -3.878 -5.478 9.073 1.00 0.00 C ATOM 109 C GLY A 7 -5.210 -5.291 9.759 1.00 0.00 C ATOM 110 O GLY A 7 -6.037 -6.204 9.770 1.00 0.00 O ATOM 0 H GLY A 7 -2.243 -4.773 10.170 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.023 -5.445 7.993 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.487 -6.467 9.312 1.00 0.00 H new ATOM 114 N CYS A 8 -5.430 -4.115 10.338 1.00 0.00 N ATOM 115 CA CYS A 8 -6.680 -3.851 11.023 1.00 0.00 C ATOM 116 C CYS A 8 -7.397 -2.621 10.465 1.00 0.00 C ATOM 117 O CYS A 8 -8.540 -2.348 10.829 1.00 0.00 O ATOM 118 CB CYS A 8 -6.441 -3.683 12.525 1.00 0.00 C ATOM 119 SG CYS A 8 -7.868 -4.105 13.551 1.00 0.00 S ATOM 0 H CYS A 8 -4.765 -3.341 10.345 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.326 -4.712 10.853 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.598 -4.307 12.820 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.157 -2.649 12.724 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.568 -3.933 14.804 1.00 0.00 H new ATOM 125 N ILE A 9 -6.729 -1.883 9.584 1.00 0.00 N ATOM 126 CA ILE A 9 -7.326 -0.690 8.990 1.00 0.00 C ATOM 127 C ILE A 9 -8.260 -1.057 7.844 1.00 0.00 C ATOM 128 O ILE A 9 -7.911 -1.860 6.978 1.00 0.00 O ATOM 129 CB ILE A 9 -6.259 0.289 8.457 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.402 -0.385 7.389 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.391 0.813 9.593 1.00 0.00 C ATOM 132 CD1 ILE A 9 -4.178 0.412 7.024 1.00 0.00 C ATOM 0 H ILE A 9 -5.781 -2.087 9.267 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.888 -0.202 9.787 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.770 1.138 8.003 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.095 -1.368 7.745 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.005 -0.544 6.495 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.646 1.501 9.194 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.016 1.335 10.317 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.889 -0.022 10.082 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.611 -0.121 6.260 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.480 1.386 6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.556 0.549 7.908 1.00 0.00 H new ATOM 144 N SER A 10 -9.442 -0.456 7.839 1.00 0.00 N ATOM 145 CA SER A 10 -10.421 -0.712 6.792 1.00 0.00 C ATOM 146 C SER A 10 -10.316 0.349 5.702 1.00 0.00 C ATOM 147 O SER A 10 -9.611 1.346 5.863 1.00 0.00 O ATOM 148 CB SER A 10 -11.835 -0.728 7.376 1.00 0.00 C ATOM 149 OG SER A 10 -12.593 -1.803 6.849 1.00 0.00 O ATOM 0 H SER A 10 -9.746 0.212 8.548 1.00 0.00 H new ATOM 0 HA SER A 10 -10.213 -1.689 6.354 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.782 -0.814 8.461 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.334 0.216 7.155 1.00 0.00 H new ATOM 0 HG SER A 10 -12.059 -2.624 6.876 1.00 0.00 H new ATOM 155 N ARG A 11 -11.019 0.134 4.596 1.00 0.00 N ATOM 156 CA ARG A 11 -10.996 1.082 3.488 1.00 0.00 C ATOM 157 C ARG A 11 -11.404 2.474 3.948 1.00 0.00 C ATOM 158 O ARG A 11 -11.057 3.472 3.324 1.00 0.00 O ATOM 159 CB ARG A 11 -11.916 0.610 2.361 1.00 0.00 C ATOM 160 CG ARG A 11 -11.879 1.503 1.130 1.00 0.00 C ATOM 161 CD ARG A 11 -12.045 0.699 -0.149 1.00 0.00 C ATOM 162 NE ARG A 11 -12.972 1.339 -1.081 1.00 0.00 N ATOM 163 CZ ARG A 11 -14.296 1.314 -0.945 1.00 0.00 C ATOM 164 NH1 ARG A 11 -14.852 0.684 0.082 1.00 0.00 N ATOM 165 NH2 ARG A 11 -15.066 1.921 -1.837 1.00 0.00 N ATOM 0 H ARG A 11 -11.609 -0.684 4.443 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.974 1.133 3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.634 -0.403 2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.939 0.562 2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.671 2.249 1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.933 2.044 1.100 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.074 0.577 -0.629 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.408 -0.300 0.095 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.581 1.834 -1.883 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.264 0.216 0.772 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.867 0.668 0.182 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.644 2.407 -2.628 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.080 1.902 -1.732 1.00 0.00 H new ATOM 179 N SER A 12 -12.139 2.527 5.045 1.00 0.00 N ATOM 180 CA SER A 12 -12.601 3.793 5.599 1.00 0.00 C ATOM 181 C SER A 12 -11.442 4.592 6.193 1.00 0.00 C ATOM 182 O SER A 12 -11.365 5.809 6.020 1.00 0.00 O ATOM 183 CB SER A 12 -13.663 3.546 6.671 1.00 0.00 C ATOM 184 OG SER A 12 -14.465 4.697 6.870 1.00 0.00 O ATOM 0 H SER A 12 -12.431 1.705 5.574 1.00 0.00 H new ATOM 0 HA SER A 12 -13.037 4.374 4.787 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.293 2.707 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.180 3.269 7.608 1.00 0.00 H new ATOM 0 HG SER A 12 -15.137 4.512 7.559 1.00 0.00 H new ATOM 190 N GLU A 13 -10.550 3.905 6.899 1.00 0.00 N ATOM 191 CA GLU A 13 -9.405 4.562 7.522 1.00 0.00 C ATOM 192 C GLU A 13 -8.312 4.864 6.507 1.00 0.00 C ATOM 193 O GLU A 13 -7.834 5.989 6.423 1.00 0.00 O ATOM 194 CB GLU A 13 -8.824 3.703 8.643 1.00 0.00 C ATOM 195 CG GLU A 13 -9.876 2.986 9.477 1.00 0.00 C ATOM 196 CD GLU A 13 -9.341 2.530 10.821 1.00 0.00 C ATOM 197 OE1 GLU A 13 -8.724 3.356 11.526 1.00 0.00 O ATOM 198 OE2 GLU A 13 -9.540 1.346 11.168 1.00 0.00 O ATOM 0 H GLU A 13 -10.597 2.898 7.054 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.768 5.502 7.937 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.151 2.963 8.209 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.223 4.335 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.725 3.651 9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.246 2.122 8.925 1.00 0.00 H new ATOM 205 N ALA A 14 -7.908 3.853 5.749 1.00 0.00 N ATOM 206 CA ALA A 14 -6.855 4.024 4.756 1.00 0.00 C ATOM 207 C ALA A 14 -7.208 5.108 3.742 1.00 0.00 C ATOM 208 O ALA A 14 -6.325 5.671 3.098 1.00 0.00 O ATOM 209 CB ALA A 14 -6.572 2.705 4.056 1.00 0.00 C ATOM 0 H ALA A 14 -8.292 2.909 5.802 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.954 4.347 5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.784 2.847 3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.252 1.965 4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.477 2.356 3.559 1.00 0.00 H new ATOM 215 N VAL A 15 -8.494 5.406 3.605 1.00 0.00 N ATOM 216 CA VAL A 15 -8.927 6.437 2.667 1.00 0.00 C ATOM 217 C VAL A 15 -8.732 7.825 3.272 1.00 0.00 C ATOM 218 O VAL A 15 -8.201 8.728 2.625 1.00 0.00 O ATOM 219 CB VAL A 15 -10.402 6.233 2.236 1.00 0.00 C ATOM 220 CG1 VAL A 15 -11.340 7.235 2.900 1.00 0.00 C ATOM 221 CG2 VAL A 15 -10.528 6.302 0.722 1.00 0.00 C ATOM 0 H VAL A 15 -9.248 4.956 4.124 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.308 6.353 1.774 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.704 5.241 2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -12.362 7.053 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.285 7.122 3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.044 8.248 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.570 6.157 0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.189 7.277 0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.916 5.522 0.270 1.00 0.00 H new ATOM 231 N ARG A 16 -9.159 7.984 4.520 1.00 0.00 N ATOM 232 CA ARG A 16 -9.023 9.259 5.218 1.00 0.00 C ATOM 233 C ARG A 16 -7.646 9.377 5.867 1.00 0.00 C ATOM 234 O ARG A 16 -7.215 10.467 6.248 1.00 0.00 O ATOM 235 CB ARG A 16 -10.118 9.407 6.276 1.00 0.00 C ATOM 236 CG ARG A 16 -11.502 9.638 5.691 1.00 0.00 C ATOM 237 CD ARG A 16 -12.456 10.218 6.724 1.00 0.00 C ATOM 238 NE ARG A 16 -13.140 11.411 6.230 1.00 0.00 N ATOM 239 CZ ARG A 16 -12.583 12.620 6.186 1.00 0.00 C ATOM 240 NH1 ARG A 16 -11.337 12.800 6.605 1.00 0.00 N ATOM 241 NH2 ARG A 16 -13.275 13.651 5.721 1.00 0.00 N ATOM 0 H ARG A 16 -9.602 7.247 5.069 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.129 10.060 4.487 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.139 8.509 6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.867 10.240 6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.430 10.316 4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.901 8.696 5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.194 9.465 6.999 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.902 10.467 7.629 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.100 11.312 5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.800 12.010 6.963 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.916 13.728 6.569 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.233 13.518 5.397 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.849 14.577 5.687 1.00 0.00 H new ATOM 255 N ARG A 17 -6.964 8.247 5.982 1.00 0.00 N ATOM 256 CA ARG A 17 -5.634 8.199 6.574 1.00 0.00 C ATOM 257 C ARG A 17 -4.595 8.703 5.582 1.00 0.00 C ATOM 258 O ARG A 17 -3.738 9.519 5.919 1.00 0.00 O ATOM 259 CB ARG A 17 -5.297 6.766 7.010 1.00 0.00 C ATOM 260 CG ARG A 17 -3.911 6.625 7.620 1.00 0.00 C ATOM 261 CD ARG A 17 -3.877 5.541 8.685 1.00 0.00 C ATOM 262 NE ARG A 17 -3.050 5.921 9.826 1.00 0.00 N ATOM 263 CZ ARG A 17 -2.595 5.059 10.732 1.00 0.00 C ATOM 264 NH1 ARG A 17 -2.883 3.767 10.634 1.00 0.00 N ATOM 265 NH2 ARG A 17 -1.848 5.489 11.741 1.00 0.00 N ATOM 0 H ARG A 17 -7.314 7.341 5.669 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.621 8.845 7.452 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.039 6.432 7.735 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.374 6.105 6.147 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.190 6.389 6.837 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.607 7.576 8.058 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.892 5.335 9.025 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.493 4.618 8.251 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.806 6.905 9.935 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.456 3.429 9.861 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.531 3.112 11.332 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.622 6.480 11.822 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.499 4.828 12.435 1.00 0.00 H new ATOM 279 N LEU A 18 -4.690 8.216 4.349 1.00 0.00 N ATOM 280 CA LEU A 18 -3.771 8.617 3.294 1.00 0.00 C ATOM 281 C LEU A 18 -4.017 10.062 2.896 1.00 0.00 C ATOM 282 O LEU A 18 -3.087 10.822 2.631 1.00 0.00 O ATOM 283 CB LEU A 18 -3.935 7.711 2.081 1.00 0.00 C ATOM 284 CG LEU A 18 -3.118 6.425 2.128 1.00 0.00 C ATOM 285 CD1 LEU A 18 -1.634 6.743 2.160 1.00 0.00 C ATOM 286 CD2 LEU A 18 -3.502 5.582 3.332 1.00 0.00 C ATOM 0 H LEU A 18 -5.397 7.541 4.057 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.752 8.526 3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.989 7.452 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.656 8.270 1.188 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.335 5.852 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.064 5.815 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.363 7.304 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.409 7.339 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.905 4.670 3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.318 6.147 4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.559 5.323 3.273 1.00 0.00 H new ATOM 298 N GLN A 19 -5.286 10.415 2.862 1.00 0.00 N ATOM 299 CA GLN A 19 -5.708 11.764 2.499 1.00 0.00 C ATOM 300 C GLN A 19 -5.377 12.769 3.600 1.00 0.00 C ATOM 301 O GLN A 19 -5.312 13.972 3.349 1.00 0.00 O ATOM 302 CB GLN A 19 -7.209 11.791 2.203 1.00 0.00 C ATOM 303 CG GLN A 19 -7.533 11.984 0.731 1.00 0.00 C ATOM 304 CD GLN A 19 -9.025 12.044 0.463 1.00 0.00 C ATOM 305 OE1 GLN A 19 -9.610 13.124 0.381 1.00 0.00 O ATOM 306 NE2 GLN A 19 -9.648 10.879 0.328 1.00 0.00 N ATOM 0 H GLN A 19 -6.055 9.782 3.083 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.159 12.051 1.602 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.656 10.858 2.546 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.670 12.595 2.777 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.067 12.904 0.378 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.097 11.166 0.157 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.123 10.008 0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.652 10.855 0.149 1.00 0.00 H new ATOM 315 N ALA A 20 -5.165 12.275 4.821 1.00 0.00 N ATOM 316 CA ALA A 20 -4.837 13.145 5.949 1.00 0.00 C ATOM 317 C ALA A 20 -3.734 14.129 5.575 1.00 0.00 C ATOM 318 O ALA A 20 -3.128 14.013 4.510 1.00 0.00 O ATOM 319 CB ALA A 20 -4.416 12.312 7.150 1.00 0.00 C ATOM 0 H ALA A 20 -5.214 11.283 5.052 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.728 13.716 6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.174 12.972 7.983 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.232 11.649 7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.539 11.718 6.891 1.00 0.00 H new ATOM 325 N GLU A 21 -3.467 15.099 6.448 1.00 0.00 N ATOM 326 CA GLU A 21 -2.426 16.085 6.172 1.00 0.00 C ATOM 327 C GLU A 21 -1.079 15.645 6.717 1.00 0.00 C ATOM 328 O GLU A 21 -0.134 16.428 6.804 1.00 0.00 O ATOM 329 CB GLU A 21 -2.811 17.458 6.723 1.00 0.00 C ATOM 330 CG GLU A 21 -4.214 17.897 6.339 1.00 0.00 C ATOM 331 CD GLU A 21 -4.770 18.954 7.273 1.00 0.00 C ATOM 332 OE1 GLU A 21 -4.224 20.077 7.290 1.00 0.00 O ATOM 333 OE2 GLU A 21 -5.753 18.660 7.985 1.00 0.00 O ATOM 0 H GLU A 21 -3.949 15.222 7.339 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.334 16.165 5.089 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.730 17.440 7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.097 18.198 6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.203 18.286 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.875 17.031 6.342 1.00 0.00 H new ATOM 340 N GLY A 22 -1.004 14.375 7.039 1.00 0.00 N ATOM 341 CA GLY A 22 0.225 13.787 7.531 1.00 0.00 C ATOM 342 C GLY A 22 0.997 13.104 6.418 1.00 0.00 C ATOM 343 O GLY A 22 2.138 12.681 6.605 1.00 0.00 O ATOM 0 H GLY A 22 -1.785 13.723 6.969 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.845 14.561 7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.004 13.064 8.314 1.00 0.00 H new ATOM 347 N ASN A 23 0.350 12.979 5.260 1.00 0.00 N ATOM 348 CA ASN A 23 0.943 12.324 4.102 1.00 0.00 C ATOM 349 C ASN A 23 1.322 13.330 3.027 1.00 0.00 C ATOM 350 O ASN A 23 0.479 14.075 2.531 1.00 0.00 O ATOM 351 CB ASN A 23 -0.042 11.304 3.540 1.00 0.00 C ATOM 352 CG ASN A 23 -0.237 10.129 4.477 1.00 0.00 C ATOM 353 OD1 ASN A 23 0.077 10.210 5.664 1.00 0.00 O ATOM 354 ND2 ASN A 23 -0.758 9.030 3.950 1.00 0.00 N ATOM 0 H ASN A 23 -0.595 13.328 5.102 1.00 0.00 H new ATOM 0 HA ASN A 23 1.856 11.821 4.421 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.002 11.788 3.360 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.319 10.944 2.577 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.913 8.208 4.534 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.004 9.006 2.960 1.00 0.00 H new ATOM 361 N ALA A 24 2.599 13.333 2.663 1.00 0.00 N ATOM 362 CA ALA A 24 3.091 14.235 1.637 1.00 0.00 C ATOM 363 C ALA A 24 3.324 13.483 0.336 1.00 0.00 C ATOM 364 O ALA A 24 4.456 13.366 -0.134 1.00 0.00 O ATOM 365 CB ALA A 24 4.364 14.925 2.095 1.00 0.00 C ATOM 0 H ALA A 24 3.309 12.721 3.064 1.00 0.00 H new ATOM 0 HA ALA A 24 2.336 15.001 1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.716 15.596 1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.162 15.498 3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.129 14.177 2.302 1.00 0.00 H new ATOM 371 N THR A 25 2.235 12.977 -0.228 1.00 0.00 N ATOM 372 CA THR A 25 2.270 12.224 -1.473 1.00 0.00 C ATOM 373 C THR A 25 3.206 11.025 -1.378 1.00 0.00 C ATOM 374 O THR A 25 4.292 11.105 -0.806 1.00 0.00 O ATOM 375 CB THR A 25 2.657 13.133 -2.639 1.00 0.00 C ATOM 376 OG1 THR A 25 3.893 13.780 -2.394 1.00 0.00 O ATOM 377 CG2 THR A 25 1.621 14.203 -2.911 1.00 0.00 C ATOM 0 H THR A 25 1.300 13.078 0.167 1.00 0.00 H new ATOM 0 HA THR A 25 1.268 11.837 -1.657 1.00 0.00 H new ATOM 0 HB THR A 25 2.732 12.479 -3.508 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.396 13.280 -1.717 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.946 14.820 -3.749 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.668 13.733 -3.155 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.502 14.827 -2.025 1.00 0.00 H new ATOM 385 N GLY A 26 2.754 9.899 -1.921 1.00 0.00 N ATOM 386 CA GLY A 26 3.536 8.679 -1.869 1.00 0.00 C ATOM 387 C GLY A 26 3.261 7.903 -0.607 1.00 0.00 C ATOM 388 O GLY A 26 3.440 6.691 -0.578 1.00 0.00 O ATOM 0 H GLY A 26 1.857 9.811 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.305 8.060 -2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.597 8.922 -1.924 1.00 0.00 H new ATOM 392 N ALA A 27 2.797 8.600 0.434 1.00 0.00 N ATOM 393 CA ALA A 27 2.468 7.957 1.699 1.00 0.00 C ATOM 394 C ALA A 27 1.674 6.690 1.428 1.00 0.00 C ATOM 395 O ALA A 27 0.650 6.740 0.757 1.00 0.00 O ATOM 396 CB ALA A 27 1.670 8.910 2.572 1.00 0.00 C ATOM 0 H ALA A 27 2.643 9.608 0.421 1.00 0.00 H new ATOM 0 HA ALA A 27 3.385 7.695 2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.428 8.422 3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.260 9.805 2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.749 9.187 2.060 1.00 0.00 H new ATOM 402 N PHE A 28 2.162 5.553 1.902 1.00 0.00 N ATOM 403 CA PHE A 28 1.495 4.294 1.644 1.00 0.00 C ATOM 404 C PHE A 28 1.330 3.496 2.922 1.00 0.00 C ATOM 405 O PHE A 28 1.930 3.806 3.951 1.00 0.00 O ATOM 406 CB PHE A 28 2.307 3.513 0.621 1.00 0.00 C ATOM 407 CG PHE A 28 3.775 3.461 0.941 1.00 0.00 C ATOM 408 CD1 PHE A 28 4.556 4.603 0.902 1.00 0.00 C ATOM 409 CD2 PHE A 28 4.370 2.272 1.300 1.00 0.00 C ATOM 410 CE1 PHE A 28 5.898 4.556 1.210 1.00 0.00 C ATOM 411 CE2 PHE A 28 5.715 2.218 1.613 1.00 0.00 C ATOM 412 CZ PHE A 28 6.481 3.361 1.566 1.00 0.00 C ATOM 0 H PHE A 28 3.011 5.480 2.463 1.00 0.00 H new ATOM 0 HA PHE A 28 0.497 4.486 1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.919 2.496 0.560 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.172 3.965 -0.361 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.107 5.545 0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.778 1.370 1.337 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.493 5.457 1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.166 1.278 1.895 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.533 3.320 1.807 1.00 0.00 H new ATOM 422 N LEU A 29 0.500 2.480 2.842 1.00 0.00 N ATOM 423 CA LEU A 29 0.214 1.621 3.975 1.00 0.00 C ATOM 424 C LEU A 29 -0.261 0.264 3.496 1.00 0.00 C ATOM 425 O LEU A 29 -0.941 0.164 2.476 1.00 0.00 O ATOM 426 CB LEU A 29 -0.839 2.267 4.881 1.00 0.00 C ATOM 427 CG LEU A 29 -2.149 2.736 4.207 1.00 0.00 C ATOM 428 CD1 LEU A 29 -2.071 2.732 2.696 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.303 1.867 4.657 1.00 0.00 C ATOM 0 H LEU A 29 0.002 2.224 1.989 1.00 0.00 H new ATOM 0 HA LEU A 29 1.129 1.486 4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.097 1.554 5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.383 3.127 5.371 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.309 3.768 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.021 3.071 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.274 3.401 2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.862 1.721 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.222 2.205 4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.108 0.831 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.412 1.938 5.739 1.00 0.00 H new ATOM 441 N ILE A 30 0.086 -0.785 4.218 1.00 0.00 N ATOM 442 CA ILE A 30 -0.332 -2.113 3.804 1.00 0.00 C ATOM 443 C ILE A 30 -1.168 -2.800 4.866 1.00 0.00 C ATOM 444 O ILE A 30 -0.695 -3.113 5.957 1.00 0.00 O ATOM 445 CB ILE A 30 0.851 -3.018 3.398 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.130 -2.187 3.159 1.00 0.00 C ATOM 447 CG2 ILE A 30 0.458 -3.807 2.155 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.950 -2.619 1.959 1.00 0.00 C ATOM 0 H ILE A 30 0.642 -0.749 5.073 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.948 -1.960 2.918 1.00 0.00 H new ATOM 0 HB ILE A 30 1.075 -3.712 4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.849 -1.141 3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.756 -2.244 4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.285 -4.451 1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.418 -4.418 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.225 -3.117 1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.828 -1.980 1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.266 -3.654 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.346 -2.534 1.056 1.00 0.00 H new ATOM 460 N ARG A 31 -2.424 -3.030 4.519 1.00 0.00 N ATOM 461 CA ARG A 31 -3.367 -3.679 5.411 1.00 0.00 C ATOM 462 C ARG A 31 -3.689 -5.073 4.912 1.00 0.00 C ATOM 463 O ARG A 31 -3.125 -5.533 3.921 1.00 0.00 O ATOM 464 CB ARG A 31 -4.652 -2.861 5.501 1.00 0.00 C ATOM 465 CG ARG A 31 -5.403 -2.770 4.188 1.00 0.00 C ATOM 466 CD ARG A 31 -6.221 -1.492 4.099 1.00 0.00 C ATOM 467 NE ARG A 31 -6.551 -1.147 2.717 1.00 0.00 N ATOM 468 CZ ARG A 31 -7.787 -1.146 2.220 1.00 0.00 C ATOM 469 NH1 ARG A 31 -8.825 -1.476 2.981 1.00 0.00 N ATOM 470 NH2 ARG A 31 -7.987 -0.813 0.952 1.00 0.00 N ATOM 0 H ARG A 31 -2.816 -2.772 3.613 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.915 -3.750 6.400 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.304 -3.305 6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.410 -1.855 5.843 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.695 -2.808 3.360 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.062 -3.632 4.084 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.140 -1.610 4.673 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.664 -0.673 4.554 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.786 -0.891 2.093 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.680 -1.734 3.957 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.767 -1.471 2.589 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.196 -0.559 0.361 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.932 -0.811 0.568 1.00 0.00 H new ATOM 484 N VAL A 32 -4.606 -5.742 5.592 1.00 0.00 N ATOM 485 CA VAL A 32 -4.991 -7.080 5.187 1.00 0.00 C ATOM 486 C VAL A 32 -6.099 -7.038 4.151 1.00 0.00 C ATOM 487 O VAL A 32 -6.698 -5.991 3.903 1.00 0.00 O ATOM 488 CB VAL A 32 -5.439 -7.935 6.387 1.00 0.00 C ATOM 489 CG1 VAL A 32 -4.281 -8.158 7.347 1.00 0.00 C ATOM 490 CG2 VAL A 32 -6.613 -7.281 7.099 1.00 0.00 C ATOM 0 H VAL A 32 -5.091 -5.385 6.415 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.107 -7.542 4.747 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.764 -8.907 6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.617 -8.764 8.188 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.473 -8.674 6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.922 -7.196 7.713 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.916 -7.899 7.944 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.317 -6.295 7.458 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.448 -7.179 6.406 1.00 0.00 H new ATOM 500 N SER A 33 -6.352 -8.182 3.537 1.00 0.00 N ATOM 501 CA SER A 33 -7.373 -8.295 2.508 1.00 0.00 C ATOM 502 C SER A 33 -8.762 -7.976 3.055 1.00 0.00 C ATOM 503 O SER A 33 -9.558 -8.879 3.309 1.00 0.00 O ATOM 504 CB SER A 33 -7.360 -9.706 1.919 1.00 0.00 C ATOM 505 OG SER A 33 -7.017 -10.667 2.902 1.00 0.00 O ATOM 0 H SER A 33 -5.860 -9.053 3.736 1.00 0.00 H new ATOM 0 HA SER A 33 -7.145 -7.567 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.341 -9.939 1.505 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.647 -9.753 1.096 1.00 0.00 H new ATOM 0 HG SER A 33 -7.573 -11.466 2.786 1.00 0.00 H new ATOM 511 N GLU A 34 -9.060 -6.688 3.212 1.00 0.00 N ATOM 512 CA GLU A 34 -10.371 -6.273 3.703 1.00 0.00 C ATOM 513 C GLU A 34 -11.459 -6.756 2.752 1.00 0.00 C ATOM 514 O GLU A 34 -12.620 -6.909 3.129 1.00 0.00 O ATOM 515 CB GLU A 34 -10.433 -4.751 3.850 1.00 0.00 C ATOM 516 CG GLU A 34 -9.546 -4.211 4.959 1.00 0.00 C ATOM 517 CD GLU A 34 -9.918 -4.759 6.322 1.00 0.00 C ATOM 518 OE1 GLU A 34 -9.653 -5.955 6.574 1.00 0.00 O ATOM 519 OE2 GLU A 34 -10.473 -3.995 7.138 1.00 0.00 O ATOM 0 H GLU A 34 -8.419 -5.921 3.009 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.534 -6.719 4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.141 -4.291 2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.464 -4.455 4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.507 -4.461 4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.615 -3.123 4.978 1.00 0.00 H new ATOM 526 N LYS A 35 -11.050 -7.010 1.517 1.00 0.00 N ATOM 527 CA LYS A 35 -11.946 -7.502 0.478 1.00 0.00 C ATOM 528 C LYS A 35 -11.450 -8.854 -0.039 1.00 0.00 C ATOM 529 O LYS A 35 -12.122 -9.871 0.131 1.00 0.00 O ATOM 530 CB LYS A 35 -12.059 -6.498 -0.681 1.00 0.00 C ATOM 531 CG LYS A 35 -11.356 -5.170 -0.431 1.00 0.00 C ATOM 532 CD LYS A 35 -12.096 -4.329 0.598 1.00 0.00 C ATOM 533 CE LYS A 35 -12.200 -2.876 0.162 1.00 0.00 C ATOM 534 NZ LYS A 35 -10.918 -2.371 -0.405 1.00 0.00 N ATOM 0 H LYS A 35 -10.087 -6.881 1.206 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.938 -7.625 0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.644 -6.952 -1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.114 -6.306 -0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.339 -5.356 -0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.279 -4.616 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -13.095 -4.736 0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.579 -4.386 1.556 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.990 -2.776 -0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.486 -2.261 1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.669 -1.469 0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.164 -3.066 -0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.025 -2.225 -1.429 1.00 0.00 H new ATOM 548 N PRO A 36 -10.255 -8.886 -0.669 1.00 0.00 N ATOM 549 CA PRO A 36 -9.670 -10.126 -1.195 1.00 0.00 C ATOM 550 C PRO A 36 -9.625 -11.231 -0.143 1.00 0.00 C ATOM 551 O PRO A 36 -10.177 -11.086 0.948 1.00 0.00 O ATOM 552 CB PRO A 36 -8.243 -9.718 -1.606 1.00 0.00 C ATOM 553 CG PRO A 36 -8.025 -8.363 -1.023 1.00 0.00 C ATOM 554 CD PRO A 36 -9.378 -7.732 -0.920 1.00 0.00 C ATOM 0 HA PRO A 36 -10.258 -10.532 -2.018 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.509 -10.429 -1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.139 -9.698 -2.691 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.552 -8.432 -0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.365 -7.769 -1.655 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.425 -7.004 -0.110 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.651 -7.208 -1.836 1.00 0.00 H new ATOM 562 N SER A 37 -8.963 -12.337 -0.474 1.00 0.00 N ATOM 563 CA SER A 37 -8.851 -13.464 0.448 1.00 0.00 C ATOM 564 C SER A 37 -7.396 -13.888 0.627 1.00 0.00 C ATOM 565 O SER A 37 -6.716 -14.230 -0.339 1.00 0.00 O ATOM 566 CB SER A 37 -9.678 -14.646 -0.057 1.00 0.00 C ATOM 567 OG SER A 37 -10.189 -15.412 1.022 1.00 0.00 O ATOM 0 H SER A 37 -8.497 -12.477 -1.371 1.00 0.00 H new ATOM 0 HA SER A 37 -9.236 -13.144 1.416 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.502 -14.281 -0.670 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.061 -15.278 -0.696 1.00 0.00 H new ATOM 0 HG SER A 37 -10.715 -16.161 0.671 1.00 0.00 H new ATOM 573 N ALA A 38 -6.926 -13.865 1.873 1.00 0.00 N ATOM 574 CA ALA A 38 -5.552 -14.249 2.180 1.00 0.00 C ATOM 575 C ALA A 38 -4.556 -13.421 1.373 1.00 0.00 C ATOM 576 O ALA A 38 -3.754 -13.963 0.612 1.00 0.00 O ATOM 577 CB ALA A 38 -5.348 -15.734 1.914 1.00 0.00 C ATOM 0 H ALA A 38 -7.477 -13.585 2.684 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.373 -14.053 3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.319 -16.007 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.028 -16.312 2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.551 -15.947 0.864 1.00 0.00 H new ATOM 583 N ASP A 39 -4.620 -12.105 1.540 1.00 0.00 N ATOM 584 CA ASP A 39 -3.733 -11.197 0.823 1.00 0.00 C ATOM 585 C ASP A 39 -3.508 -9.915 1.619 1.00 0.00 C ATOM 586 O ASP A 39 -3.844 -9.840 2.802 1.00 0.00 O ATOM 587 CB ASP A 39 -4.331 -10.861 -0.546 1.00 0.00 C ATOM 588 CG ASP A 39 -4.779 -12.095 -1.303 1.00 0.00 C ATOM 589 OD1 ASP A 39 -3.917 -12.939 -1.624 1.00 0.00 O ATOM 590 OD2 ASP A 39 -5.992 -12.215 -1.577 1.00 0.00 O ATOM 0 H ASP A 39 -5.278 -11.642 2.167 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.771 -11.691 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.181 -10.192 -0.413 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.592 -10.323 -1.140 1.00 0.00 H new ATOM 595 N TYR A 40 -2.965 -8.897 0.957 1.00 0.00 N ATOM 596 CA TYR A 40 -2.728 -7.609 1.589 1.00 0.00 C ATOM 597 C TYR A 40 -3.067 -6.524 0.610 1.00 0.00 C ATOM 598 O TYR A 40 -2.779 -6.641 -0.571 1.00 0.00 O ATOM 599 CB TYR A 40 -1.266 -7.455 2.066 1.00 0.00 C ATOM 600 CG TYR A 40 -1.123 -7.511 3.573 1.00 0.00 C ATOM 601 CD1 TYR A 40 -1.472 -8.653 4.280 1.00 0.00 C ATOM 602 CD2 TYR A 40 -0.638 -6.421 4.288 1.00 0.00 C ATOM 603 CE1 TYR A 40 -1.343 -8.711 5.655 1.00 0.00 C ATOM 604 CE2 TYR A 40 -0.506 -6.471 5.662 1.00 0.00 C ATOM 605 CZ TYR A 40 -0.860 -7.618 6.341 1.00 0.00 C ATOM 606 OH TYR A 40 -0.729 -7.671 7.710 1.00 0.00 O ATOM 0 H TYR A 40 -2.681 -8.943 -0.022 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.361 -7.538 2.474 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.660 -8.244 1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.870 -6.506 1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.851 -9.512 3.746 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.360 -5.521 3.760 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.619 -9.608 6.189 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.127 -5.616 6.202 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.374 -6.819 8.038 1.00 0.00 H new ATOM 616 N VAL A 41 -3.689 -5.475 1.099 1.00 0.00 N ATOM 617 CA VAL A 41 -4.063 -4.369 0.237 1.00 0.00 C ATOM 618 C VAL A 41 -3.291 -3.130 0.626 1.00 0.00 C ATOM 619 O VAL A 41 -3.225 -2.766 1.799 1.00 0.00 O ATOM 620 CB VAL A 41 -5.572 -4.089 0.270 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.289 -5.032 -0.684 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.116 -4.236 1.684 1.00 0.00 C ATOM 0 H VAL A 41 -3.946 -5.361 2.079 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.812 -4.651 -0.786 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.748 -3.062 -0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.360 -4.831 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.915 -4.879 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.106 -6.063 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.187 -4.033 1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.939 -5.251 2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.612 -3.529 2.343 1.00 0.00 H new ATOM 632 N LEU A 42 -2.678 -2.499 -0.358 1.00 0.00 N ATOM 633 CA LEU A 42 -1.882 -1.323 -0.103 1.00 0.00 C ATOM 634 C LEU A 42 -2.497 -0.085 -0.723 1.00 0.00 C ATOM 635 O LEU A 42 -2.912 -0.100 -1.874 1.00 0.00 O ATOM 636 CB LEU A 42 -0.474 -1.511 -0.645 1.00 0.00 C ATOM 637 CG LEU A 42 0.425 -0.290 -0.510 1.00 0.00 C ATOM 638 CD1 LEU A 42 1.055 -0.256 0.873 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.490 -0.310 -1.587 1.00 0.00 C ATOM 0 H LEU A 42 -2.718 -2.783 -1.337 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.846 -1.184 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.008 -2.348 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.538 -1.784 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.174 0.612 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.696 0.621 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.271 -0.208 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.650 -1.157 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.129 0.567 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.093 -1.212 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.015 -0.299 -2.568 1.00 0.00 H new ATOM 651 N SER A 43 -2.521 0.995 0.037 1.00 0.00 N ATOM 652 CA SER A 43 -3.052 2.249 -0.459 1.00 0.00 C ATOM 653 C SER A 43 -2.024 3.342 -0.352 1.00 0.00 C ATOM 654 O SER A 43 -0.994 3.188 0.302 1.00 0.00 O ATOM 655 CB SER A 43 -4.342 2.632 0.246 1.00 0.00 C ATOM 656 OG SER A 43 -4.220 3.851 0.958 1.00 0.00 O ATOM 0 H SER A 43 -2.180 1.028 0.998 1.00 0.00 H new ATOM 0 HA SER A 43 -3.293 2.113 -1.513 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.143 2.720 -0.488 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.627 1.837 0.935 1.00 0.00 H new ATOM 0 HG SER A 43 -5.011 3.981 1.521 1.00 0.00 H new ATOM 662 N VAL A 44 -2.288 4.430 -1.036 1.00 0.00 N ATOM 663 CA VAL A 44 -1.350 5.539 -1.042 1.00 0.00 C ATOM 664 C VAL A 44 -2.019 6.869 -1.340 1.00 0.00 C ATOM 665 O VAL A 44 -2.931 6.953 -2.163 1.00 0.00 O ATOM 666 CB VAL A 44 -0.233 5.284 -2.076 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.755 5.448 -3.498 1.00 0.00 C ATOM 668 CG2 VAL A 44 0.961 6.192 -1.832 1.00 0.00 C ATOM 0 H VAL A 44 -3.132 4.575 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.928 5.600 -0.039 1.00 0.00 H new ATOM 0 HB VAL A 44 0.099 4.253 -1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.053 5.263 -4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.562 4.736 -3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.130 6.462 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.731 5.989 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.648 7.233 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.362 6.006 -0.835 1.00 0.00 H new ATOM 678 N ARG A 45 -1.519 7.921 -0.697 1.00 0.00 N ATOM 679 CA ARG A 45 -2.032 9.259 -0.932 1.00 0.00 C ATOM 680 C ARG A 45 -1.597 9.713 -2.313 1.00 0.00 C ATOM 681 O ARG A 45 -2.034 10.750 -2.811 1.00 0.00 O ATOM 682 CB ARG A 45 -1.509 10.243 0.118 1.00 0.00 C ATOM 683 CG ARG A 45 -2.215 11.590 0.093 1.00 0.00 C ATOM 684 CD ARG A 45 -1.462 12.633 0.903 1.00 0.00 C ATOM 685 NE ARG A 45 -1.238 13.859 0.142 1.00 0.00 N ATOM 686 CZ ARG A 45 -2.166 14.795 -0.048 1.00 0.00 C ATOM 687 NH1 ARG A 45 -3.381 14.649 0.468 1.00 0.00 N ATOM 688 NH2 ARG A 45 -1.879 15.880 -0.754 1.00 0.00 N ATOM 0 H ARG A 45 -0.763 7.869 -0.014 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.120 9.236 -0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.623 9.800 1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.442 10.398 -0.041 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.313 11.931 -0.938 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.224 11.480 0.490 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.024 12.865 1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.503 12.223 1.220 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.316 14.007 -0.268 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.607 13.817 1.013 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.088 15.369 0.319 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.947 15.998 -1.152 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.590 16.597 -0.899 1.00 0.00 H new ATOM 702 N ASP A 46 -0.719 8.915 -2.928 1.00 0.00 N ATOM 703 CA ASP A 46 -0.200 9.215 -4.261 1.00 0.00 C ATOM 704 C ASP A 46 0.195 10.690 -4.367 1.00 0.00 C ATOM 705 O ASP A 46 1.150 11.121 -3.724 1.00 0.00 O ATOM 706 CB ASP A 46 -1.219 8.820 -5.342 1.00 0.00 C ATOM 707 CG ASP A 46 -2.643 9.207 -4.987 1.00 0.00 C ATOM 708 OD1 ASP A 46 -3.224 8.568 -4.086 1.00 0.00 O ATOM 709 OD2 ASP A 46 -3.176 10.149 -5.610 1.00 0.00 O ATOM 0 H ASP A 46 -0.353 8.054 -2.520 1.00 0.00 H new ATOM 0 HA ASP A 46 0.699 8.622 -4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.944 9.295 -6.284 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.171 7.743 -5.502 1.00 0.00 H new ATOM 714 N THR A 47 -0.533 11.464 -5.162 1.00 0.00 N ATOM 715 CA THR A 47 -0.238 12.884 -5.319 1.00 0.00 C ATOM 716 C THR A 47 -1.338 13.750 -4.709 1.00 0.00 C ATOM 717 O THR A 47 -1.197 14.970 -4.614 1.00 0.00 O ATOM 718 CB THR A 47 -0.058 13.230 -6.798 1.00 0.00 C ATOM 719 OG1 THR A 47 0.120 14.625 -6.969 1.00 0.00 O ATOM 720 CG2 THR A 47 -1.230 12.808 -7.659 1.00 0.00 C ATOM 0 H THR A 47 -1.330 11.134 -5.707 1.00 0.00 H new ATOM 0 HA THR A 47 0.691 13.092 -4.788 1.00 0.00 H new ATOM 0 HB THR A 47 0.825 12.677 -7.118 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.269 15.100 -6.205 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.037 13.083 -8.696 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.363 11.728 -7.589 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.134 13.308 -7.313 1.00 0.00 H new ATOM 728 N GLN A 48 -2.429 13.115 -4.296 1.00 0.00 N ATOM 729 CA GLN A 48 -3.551 13.824 -3.693 1.00 0.00 C ATOM 730 C GLN A 48 -4.496 12.846 -3.002 1.00 0.00 C ATOM 731 O GLN A 48 -4.266 12.450 -1.859 1.00 0.00 O ATOM 732 CB GLN A 48 -4.291 14.647 -4.754 1.00 0.00 C ATOM 733 CG GLN A 48 -3.681 16.019 -4.992 1.00 0.00 C ATOM 734 CD GLN A 48 -4.696 17.030 -5.487 1.00 0.00 C ATOM 735 OE1 GLN A 48 -5.778 16.665 -5.948 1.00 0.00 O ATOM 736 NE2 GLN A 48 -4.351 18.309 -5.396 1.00 0.00 N ATOM 0 H GLN A 48 -2.560 12.106 -4.368 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.166 14.508 -2.937 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.297 14.093 -5.693 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.330 14.768 -4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.236 16.380 -4.065 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.875 15.933 -5.720 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.444 18.566 -5.007 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.993 19.034 -5.715 1.00 0.00 H new ATOM 745 N ALA A 49 -5.548 12.454 -3.701 1.00 0.00 N ATOM 746 CA ALA A 49 -6.521 11.511 -3.160 1.00 0.00 C ATOM 747 C ALA A 49 -5.842 10.201 -2.778 1.00 0.00 C ATOM 748 O ALA A 49 -4.615 10.113 -2.763 1.00 0.00 O ATOM 749 CB ALA A 49 -7.632 11.260 -4.167 1.00 0.00 C ATOM 0 H ALA A 49 -5.753 12.774 -4.648 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.959 11.945 -2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.350 10.554 -3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.136 12.199 -4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.207 10.846 -5.082 1.00 0.00 H new ATOM 755 N VAL A 50 -6.641 9.187 -2.469 1.00 0.00 N ATOM 756 CA VAL A 50 -6.100 7.887 -2.091 1.00 0.00 C ATOM 757 C VAL A 50 -6.301 6.856 -3.191 1.00 0.00 C ATOM 758 O VAL A 50 -7.309 6.865 -3.897 1.00 0.00 O ATOM 759 CB VAL A 50 -6.735 7.351 -0.792 1.00 0.00 C ATOM 760 CG1 VAL A 50 -6.179 5.973 -0.445 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.509 8.321 0.352 1.00 0.00 C ATOM 0 H VAL A 50 -7.660 9.239 -2.472 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.034 8.043 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.809 7.253 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.641 5.615 0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.398 5.278 -1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.100 6.040 -0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.964 7.925 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.439 8.453 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.961 9.282 0.109 1.00 0.00 H new ATOM 771 N ARG A 51 -5.337 5.957 -3.306 1.00 0.00 N ATOM 772 CA ARG A 51 -5.390 4.889 -4.289 1.00 0.00 C ATOM 773 C ARG A 51 -5.051 3.568 -3.619 1.00 0.00 C ATOM 774 O ARG A 51 -3.903 3.329 -3.250 1.00 0.00 O ATOM 775 CB ARG A 51 -4.415 5.162 -5.437 1.00 0.00 C ATOM 776 CG ARG A 51 -4.604 6.521 -6.088 1.00 0.00 C ATOM 777 CD ARG A 51 -3.913 6.592 -7.441 1.00 0.00 C ATOM 778 NE ARG A 51 -4.856 6.450 -8.548 1.00 0.00 N ATOM 779 CZ ARG A 51 -5.599 7.447 -9.023 1.00 0.00 C ATOM 780 NH1 ARG A 51 -5.517 8.660 -8.487 1.00 0.00 N ATOM 781 NH2 ARG A 51 -6.428 7.233 -10.035 1.00 0.00 N ATOM 0 H ARG A 51 -4.500 5.947 -2.723 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.397 4.839 -4.702 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.395 5.088 -5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.533 4.387 -6.194 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.668 6.722 -6.211 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.207 7.297 -5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.390 7.544 -7.531 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.159 5.807 -7.504 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.951 5.532 -8.983 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.882 8.831 -7.707 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.089 9.420 -8.855 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.497 6.304 -10.450 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.997 7.997 -10.398 1.00 0.00 H new ATOM 795 N HIS A 52 -6.052 2.718 -3.445 1.00 0.00 N ATOM 796 CA HIS A 52 -5.842 1.431 -2.801 1.00 0.00 C ATOM 797 C HIS A 52 -5.364 0.409 -3.812 1.00 0.00 C ATOM 798 O HIS A 52 -5.470 0.626 -5.018 1.00 0.00 O ATOM 799 CB HIS A 52 -7.132 0.957 -2.134 1.00 0.00 C ATOM 800 CG HIS A 52 -7.562 1.887 -1.060 1.00 0.00 C ATOM 801 ND1 HIS A 52 -6.970 1.894 0.174 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.438 2.917 -1.067 1.00 0.00 C ATOM 803 CE1 HIS A 52 -7.440 2.893 0.879 1.00 0.00 C ATOM 804 NE2 HIS A 52 -8.341 3.531 0.155 1.00 0.00 N ATOM 0 H HIS A 52 -7.013 2.895 -3.739 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.076 1.545 -2.034 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.920 0.874 -2.882 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.982 -0.039 -1.716 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.271 1.225 0.495 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.090 3.202 -1.880 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.141 3.151 1.884 1.00 0.00 H new ATOM 813 N TYR A 53 -4.812 -0.696 -3.328 1.00 0.00 N ATOM 814 CA TYR A 53 -4.299 -1.712 -4.223 1.00 0.00 C ATOM 815 C TYR A 53 -4.322 -3.097 -3.596 1.00 0.00 C ATOM 816 O TYR A 53 -3.939 -3.278 -2.443 1.00 0.00 O ATOM 817 CB TYR A 53 -2.873 -1.349 -4.627 1.00 0.00 C ATOM 818 CG TYR A 53 -2.738 0.065 -5.149 1.00 0.00 C ATOM 819 CD1 TYR A 53 -3.163 0.387 -6.427 1.00 0.00 C ATOM 820 CD2 TYR A 53 -2.176 1.072 -4.371 1.00 0.00 C ATOM 821 CE1 TYR A 53 -3.035 1.669 -6.924 1.00 0.00 C ATOM 822 CE2 TYR A 53 -2.040 2.358 -4.862 1.00 0.00 C ATOM 823 CZ TYR A 53 -2.472 2.650 -6.139 1.00 0.00 C ATOM 824 OH TYR A 53 -2.335 3.928 -6.634 1.00 0.00 O ATOM 0 H TYR A 53 -4.711 -0.906 -2.335 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.946 -1.745 -5.100 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.216 -1.475 -3.766 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.532 -2.045 -5.393 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.603 -0.380 -7.047 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.841 0.846 -3.369 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.375 1.901 -7.923 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.598 3.129 -4.249 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.690 4.423 -6.087 1.00 0.00 H new ATOM 834 N LYS A 54 -4.757 -4.072 -4.381 1.00 0.00 N ATOM 835 CA LYS A 54 -4.815 -5.454 -3.936 1.00 0.00 C ATOM 836 C LYS A 54 -3.462 -6.114 -4.136 1.00 0.00 C ATOM 837 O LYS A 54 -2.992 -6.250 -5.263 1.00 0.00 O ATOM 838 CB LYS A 54 -5.884 -6.219 -4.719 1.00 0.00 C ATOM 839 CG LYS A 54 -6.572 -7.308 -3.917 1.00 0.00 C ATOM 840 CD LYS A 54 -7.160 -8.376 -4.824 1.00 0.00 C ATOM 841 CE LYS A 54 -6.218 -9.560 -4.977 1.00 0.00 C ATOM 842 NZ LYS A 54 -6.924 -10.771 -5.477 1.00 0.00 N ATOM 0 H LYS A 54 -5.078 -3.927 -5.338 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.074 -5.472 -2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.635 -5.513 -5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.425 -6.666 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.858 -7.764 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.363 -6.869 -3.308 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.111 -8.717 -4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.369 -7.947 -5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.415 -9.298 -5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.754 -9.781 -4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.226 -11.481 -5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.516 -11.165 -4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.524 -10.514 -6.287 1.00 0.00 H new ATOM 856 N ILE A 55 -2.847 -6.527 -3.042 1.00 0.00 N ATOM 857 CA ILE A 55 -1.553 -7.179 -3.090 1.00 0.00 C ATOM 858 C ILE A 55 -1.759 -8.667 -2.834 1.00 0.00 C ATOM 859 O ILE A 55 -1.946 -9.096 -1.697 1.00 0.00 O ATOM 860 CB ILE A 55 -0.585 -6.578 -2.049 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.945 -5.124 -1.710 1.00 0.00 C ATOM 862 CG2 ILE A 55 0.852 -6.636 -2.535 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.332 -4.662 -0.416 1.00 0.00 C ATOM 0 H ILE A 55 -3.228 -6.420 -2.102 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.104 -7.025 -4.071 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.684 -7.183 -1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.611 -4.473 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.029 -5.027 -1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.509 -6.205 -1.780 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.134 -7.674 -2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.946 -6.071 -3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.619 -3.628 -0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.686 -5.293 0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.754 -4.730 -0.483 1.00 0.00 H new ATOM 875 N TRP A 56 -1.780 -9.435 -3.916 1.00 0.00 N ATOM 876 CA TRP A 56 -2.034 -10.870 -3.851 1.00 0.00 C ATOM 877 C TRP A 56 -0.773 -11.670 -3.543 1.00 0.00 C ATOM 878 O TRP A 56 0.261 -11.502 -4.190 1.00 0.00 O ATOM 879 CB TRP A 56 -2.632 -11.326 -5.187 1.00 0.00 C ATOM 880 CG TRP A 56 -3.450 -12.585 -5.112 1.00 0.00 C ATOM 881 CD1 TRP A 56 -3.332 -13.599 -4.206 1.00 0.00 C ATOM 882 CD2 TRP A 56 -4.512 -12.961 -5.995 1.00 0.00 C ATOM 883 NE1 TRP A 56 -4.258 -14.578 -4.468 1.00 0.00 N ATOM 884 CE2 TRP A 56 -4.995 -14.211 -5.562 1.00 0.00 C ATOM 885 CE3 TRP A 56 -5.105 -12.361 -7.110 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -6.041 -14.870 -6.205 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -6.143 -13.017 -7.748 1.00 0.00 C ATOM 888 CH2 TRP A 56 -6.600 -14.260 -7.294 1.00 0.00 C ATOM 0 H TRP A 56 -1.622 -9.083 -4.860 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.732 -11.055 -3.035 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.258 -10.525 -5.582 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.821 -11.478 -5.900 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.614 -13.627 -3.400 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -4.378 -15.439 -3.934 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.759 -11.402 -7.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.397 -15.828 -5.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -6.608 -12.563 -8.610 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -7.411 -14.747 -7.815 1.00 0.00 H new ATOM 899 N ARG A 57 -0.882 -12.554 -2.555 1.00 0.00 N ATOM 900 CA ARG A 57 0.229 -13.407 -2.160 1.00 0.00 C ATOM 901 C ARG A 57 0.275 -14.649 -3.045 1.00 0.00 C ATOM 902 O ARG A 57 -0.740 -15.310 -3.262 1.00 0.00 O ATOM 903 CB ARG A 57 0.094 -13.809 -0.687 1.00 0.00 C ATOM 904 CG ARG A 57 1.050 -14.913 -0.260 1.00 0.00 C ATOM 905 CD ARG A 57 0.305 -16.184 0.119 1.00 0.00 C ATOM 906 NE ARG A 57 1.115 -17.066 0.956 1.00 0.00 N ATOM 907 CZ ARG A 57 0.753 -18.301 1.296 1.00 0.00 C ATOM 908 NH1 ARG A 57 -0.400 -18.803 0.873 1.00 0.00 N ATOM 909 NH2 ARG A 57 1.549 -19.037 2.060 1.00 0.00 N ATOM 0 H ARG A 57 -1.734 -12.697 -2.012 1.00 0.00 H new ATOM 0 HA ARG A 57 1.159 -12.852 -2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.266 -12.932 -0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.929 -14.136 -0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.746 -15.127 -1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.644 -14.573 0.588 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.611 -15.923 0.649 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.010 -16.714 -0.786 1.00 0.00 H new ATOM 0 HE ARG A 57 2.009 -16.715 1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.015 -18.242 0.284 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.671 -19.750 1.137 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.437 -18.657 2.386 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.273 -19.983 2.321 1.00 0.00 H new ATOM 923 N ARG A 58 1.459 -14.951 -3.561 1.00 0.00 N ATOM 924 CA ARG A 58 1.649 -16.101 -4.432 1.00 0.00 C ATOM 925 C ARG A 58 1.378 -17.409 -3.696 1.00 0.00 C ATOM 926 O ARG A 58 0.246 -17.888 -3.652 1.00 0.00 O ATOM 927 CB ARG A 58 3.069 -16.083 -5.006 1.00 0.00 C ATOM 928 CG ARG A 58 3.175 -15.358 -6.339 1.00 0.00 C ATOM 929 CD ARG A 58 3.625 -16.289 -7.454 1.00 0.00 C ATOM 930 NE ARG A 58 2.873 -16.066 -8.687 1.00 0.00 N ATOM 931 CZ ARG A 58 3.316 -16.401 -9.898 1.00 0.00 C ATOM 932 NH1 ARG A 58 4.499 -16.983 -10.045 1.00 0.00 N ATOM 933 NH2 ARG A 58 2.569 -16.157 -10.966 1.00 0.00 N ATOM 0 H ARG A 58 2.307 -14.411 -3.389 1.00 0.00 H new ATOM 0 HA ARG A 58 0.932 -16.037 -5.251 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.737 -15.607 -4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.415 -17.109 -5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.208 -14.925 -6.595 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.880 -14.532 -6.248 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.688 -16.140 -7.645 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.501 -17.324 -7.135 1.00 0.00 H new ATOM 0 HE ARG A 58 1.955 -15.628 -8.616 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.077 -17.177 -9.227 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.831 -17.236 -10.976 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.657 -15.713 -10.860 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.907 -16.413 -11.894 1.00 0.00 H new ATOM 947 N ALA A 59 2.424 -17.976 -3.125 1.00 0.00 N ATOM 948 CA ALA A 59 2.320 -19.229 -2.389 1.00 0.00 C ATOM 949 C ALA A 59 3.610 -19.518 -1.631 1.00 0.00 C ATOM 950 O ALA A 59 4.562 -20.061 -2.191 1.00 0.00 O ATOM 951 CB ALA A 59 1.991 -20.374 -3.337 1.00 0.00 C ATOM 0 H ALA A 59 3.366 -17.586 -3.156 1.00 0.00 H new ATOM 0 HA ALA A 59 1.512 -19.135 -1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.917 -21.304 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.042 -20.174 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.779 -20.465 -4.084 1.00 0.00 H new ATOM 957 N GLY A 60 3.635 -19.143 -0.359 1.00 0.00 N ATOM 958 CA GLY A 60 4.814 -19.360 0.455 1.00 0.00 C ATOM 959 C GLY A 60 5.489 -18.058 0.834 1.00 0.00 C ATOM 960 O GLY A 60 6.133 -17.965 1.878 1.00 0.00 O ATOM 0 H GLY A 60 2.858 -18.692 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.536 -19.901 1.360 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.519 -19.989 -0.088 1.00 0.00 H new ATOM 964 N GLY A 61 5.337 -17.048 -0.018 1.00 0.00 N ATOM 965 CA GLY A 61 5.938 -15.756 0.251 1.00 0.00 C ATOM 966 C GLY A 61 6.251 -14.978 -1.013 1.00 0.00 C ATOM 967 O GLY A 61 7.364 -15.050 -1.532 1.00 0.00 O ATOM 0 H GLY A 61 4.809 -17.102 -0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.264 -15.170 0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.856 -15.899 0.821 1.00 0.00 H new ATOM 971 N ARG A 62 5.269 -14.225 -1.504 1.00 0.00 N ATOM 972 CA ARG A 62 5.446 -13.421 -2.707 1.00 0.00 C ATOM 973 C ARG A 62 4.206 -12.576 -2.975 1.00 0.00 C ATOM 974 O ARG A 62 3.114 -13.103 -3.165 1.00 0.00 O ATOM 975 CB ARG A 62 5.752 -14.316 -3.911 1.00 0.00 C ATOM 976 CG ARG A 62 7.131 -14.080 -4.507 1.00 0.00 C ATOM 977 CD ARG A 62 7.241 -14.662 -5.906 1.00 0.00 C ATOM 978 NE ARG A 62 8.449 -14.209 -6.593 1.00 0.00 N ATOM 979 CZ ARG A 62 8.794 -14.597 -7.818 1.00 0.00 C ATOM 980 NH1 ARG A 62 8.028 -15.443 -8.495 1.00 0.00 N ATOM 981 NH2 ARG A 62 9.910 -14.137 -8.369 1.00 0.00 N ATOM 0 H ARG A 62 4.342 -14.156 -1.085 1.00 0.00 H new ATOM 0 HA ARG A 62 6.292 -12.752 -2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.670 -15.360 -3.608 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.999 -14.147 -4.680 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.336 -13.010 -4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.888 -14.530 -3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.244 -15.750 -5.847 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.364 -14.377 -6.488 1.00 0.00 H new ATOM 0 HE ARG A 62 9.063 -13.557 -6.105 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.169 -15.800 -8.077 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.298 -15.736 -9.434 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.503 -13.486 -7.853 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.175 -14.434 -9.308 1.00 0.00 H new ATOM 995 N LEU A 63 4.383 -11.261 -2.987 1.00 0.00 N ATOM 996 CA LEU A 63 3.277 -10.343 -3.228 1.00 0.00 C ATOM 997 C LEU A 63 3.315 -9.813 -4.648 1.00 0.00 C ATOM 998 O LEU A 63 4.385 -9.612 -5.214 1.00 0.00 O ATOM 999 CB LEU A 63 3.320 -9.174 -2.244 1.00 0.00 C ATOM 1000 CG LEU A 63 2.804 -9.498 -0.849 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.326 -9.847 -0.907 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.606 -10.639 -0.246 1.00 0.00 C ATOM 0 H LEU A 63 5.283 -10.806 -2.833 1.00 0.00 H new ATOM 0 HA LEU A 63 2.349 -10.896 -3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.348 -8.822 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.733 -8.351 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 63 2.925 -8.622 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.967 -10.077 0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.768 -9.001 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.182 -10.714 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.228 -10.862 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.511 -11.523 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.655 -10.351 -0.181 1.00 0.00 H new ATOM 1014 N HIS A 64 2.141 -9.584 -5.213 1.00 0.00 N ATOM 1015 CA HIS A 64 2.038 -9.072 -6.568 1.00 0.00 C ATOM 1016 C HIS A 64 0.712 -8.349 -6.758 1.00 0.00 C ATOM 1017 O HIS A 64 -0.331 -8.981 -6.930 1.00 0.00 O ATOM 1018 CB HIS A 64 2.177 -10.214 -7.579 1.00 0.00 C ATOM 1019 CG HIS A 64 1.077 -11.229 -7.505 1.00 0.00 C ATOM 1020 ND1 HIS A 64 -0.028 -11.200 -8.329 1.00 0.00 N ATOM 1021 CD2 HIS A 64 0.918 -12.310 -6.704 1.00 0.00 C ATOM 1022 CE1 HIS A 64 -0.819 -12.218 -8.038 1.00 0.00 C ATOM 1023 NE2 HIS A 64 -0.267 -12.906 -7.056 1.00 0.00 N ATOM 0 H HIS A 64 1.245 -9.745 -4.753 1.00 0.00 H new ATOM 0 HA HIS A 64 2.847 -8.361 -6.737 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.204 -9.794 -8.585 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.131 -10.715 -7.417 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.597 -12.641 -5.932 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.757 -12.448 -8.521 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.658 -13.745 -6.628 1.00 0.00 H new ATOM 1032 N LEU A 65 0.751 -7.024 -6.718 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.460 -6.236 -6.882 1.00 0.00 C ATOM 1034 C LEU A 65 -0.979 -6.350 -8.308 1.00 0.00 C ATOM 1035 O LEU A 65 -2.183 -6.296 -8.556 1.00 0.00 O ATOM 1036 CB LEU A 65 -0.207 -4.771 -6.529 1.00 0.00 C ATOM 1037 CG LEU A 65 0.163 -4.520 -5.068 1.00 0.00 C ATOM 1038 CD1 LEU A 65 1.668 -4.615 -4.883 1.00 0.00 C ATOM 1039 CD2 LEU A 65 -0.354 -3.167 -4.608 1.00 0.00 C ATOM 0 H LEU A 65 1.600 -6.478 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.215 -6.629 -6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.595 -4.392 -7.163 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.101 -4.195 -6.767 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.309 -5.287 -4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.918 -4.434 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.008 -5.610 -5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.159 -3.869 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.080 -3.008 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.086 -2.381 -5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.439 -3.140 -4.706 1.00 0.00 H new ATOM 1051 N ASN A 66 -0.050 -6.515 -9.236 1.00 0.00 N ATOM 1052 CA ASN A 66 -0.379 -6.648 -10.650 1.00 0.00 C ATOM 1053 C ASN A 66 0.213 -7.932 -11.223 1.00 0.00 C ATOM 1054 O ASN A 66 1.033 -8.589 -10.582 1.00 0.00 O ATOM 1055 CB ASN A 66 0.134 -5.438 -11.434 1.00 0.00 C ATOM 1056 CG ASN A 66 -0.974 -4.458 -11.770 1.00 0.00 C ATOM 1057 OD1 ASN A 66 -1.620 -3.905 -10.881 1.00 0.00 O ATOM 1058 ND2 ASN A 66 -1.198 -4.242 -13.061 1.00 0.00 N ATOM 0 H ASN A 66 0.949 -6.561 -9.034 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.464 -6.694 -10.744 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.902 -4.929 -10.851 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.607 -5.779 -12.355 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.931 -3.595 -13.350 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.637 -4.723 -13.764 1.00 0.00 H new ATOM 1065 N GLU A 67 -0.210 -8.286 -12.432 1.00 0.00 N ATOM 1066 CA GLU A 67 0.277 -9.494 -13.089 1.00 0.00 C ATOM 1067 C GLU A 67 1.699 -9.309 -13.619 1.00 0.00 C ATOM 1068 O GLU A 67 2.333 -10.269 -14.059 1.00 0.00 O ATOM 1069 CB GLU A 67 -0.656 -9.886 -14.235 1.00 0.00 C ATOM 1070 CG GLU A 67 -1.852 -10.712 -13.789 1.00 0.00 C ATOM 1071 CD GLU A 67 -3.095 -10.428 -14.610 1.00 0.00 C ATOM 1072 OE1 GLU A 67 -3.759 -9.404 -14.346 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -3.403 -11.229 -15.517 1.00 0.00 O ATOM 0 H GLU A 67 -0.889 -7.754 -12.977 1.00 0.00 H new ATOM 0 HA GLU A 67 0.293 -10.291 -12.346 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.013 -8.982 -14.728 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.091 -10.451 -14.976 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.606 -11.771 -13.864 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.060 -10.506 -12.739 1.00 0.00 H new ATOM 1080 N ALA A 68 2.199 -8.075 -13.581 1.00 0.00 N ATOM 1081 CA ALA A 68 3.545 -7.783 -14.065 1.00 0.00 C ATOM 1082 C ALA A 68 4.436 -7.249 -12.947 1.00 0.00 C ATOM 1083 O ALA A 68 5.424 -6.562 -13.208 1.00 0.00 O ATOM 1084 CB ALA A 68 3.486 -6.789 -15.214 1.00 0.00 C ATOM 0 H ALA A 68 1.694 -7.265 -13.221 1.00 0.00 H new ATOM 0 HA ALA A 68 3.982 -8.715 -14.423 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.496 -6.579 -15.566 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.898 -7.210 -16.029 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.022 -5.864 -14.871 1.00 0.00 H new ATOM 1090 N VAL A 69 4.086 -7.567 -11.704 1.00 0.00 N ATOM 1091 CA VAL A 69 4.863 -7.112 -10.555 1.00 0.00 C ATOM 1092 C VAL A 69 4.719 -8.071 -9.376 1.00 0.00 C ATOM 1093 O VAL A 69 3.612 -8.316 -8.904 1.00 0.00 O ATOM 1094 CB VAL A 69 4.429 -5.699 -10.112 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.442 -4.741 -11.291 1.00 0.00 C ATOM 1096 CG2 VAL A 69 3.048 -5.732 -9.471 1.00 0.00 C ATOM 0 H VAL A 69 3.273 -8.136 -11.467 1.00 0.00 H new ATOM 0 HA VAL A 69 5.907 -7.084 -10.868 1.00 0.00 H new ATOM 0 HB VAL A 69 5.143 -5.344 -9.369 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.133 -3.750 -10.958 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.449 -4.687 -11.705 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.753 -5.097 -12.057 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.764 -4.725 -9.167 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.322 -6.112 -10.190 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.068 -6.383 -8.597 1.00 0.00 H new ATOM 1106 N SER A 70 5.837 -8.610 -8.897 1.00 0.00 N ATOM 1107 CA SER A 70 5.799 -9.534 -7.768 1.00 0.00 C ATOM 1108 C SER A 70 7.062 -9.440 -6.917 1.00 0.00 C ATOM 1109 O SER A 70 8.153 -9.180 -7.426 1.00 0.00 O ATOM 1110 CB SER A 70 5.610 -10.971 -8.255 1.00 0.00 C ATOM 1111 OG SER A 70 5.248 -11.828 -7.186 1.00 0.00 O ATOM 0 H SER A 70 6.769 -8.426 -9.268 1.00 0.00 H new ATOM 0 HA SER A 70 4.950 -9.249 -7.147 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.839 -10.999 -9.025 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.532 -11.327 -8.714 1.00 0.00 H new ATOM 0 HG SER A 70 4.950 -11.291 -6.423 1.00 0.00 H new ATOM 1117 N PHE A 71 6.901 -9.663 -5.615 1.00 0.00 N ATOM 1118 CA PHE A 71 8.018 -9.615 -4.677 1.00 0.00 C ATOM 1119 C PHE A 71 7.736 -10.461 -3.444 1.00 0.00 C ATOM 1120 O PHE A 71 6.718 -10.297 -2.776 1.00 0.00 O ATOM 1121 CB PHE A 71 8.333 -8.174 -4.278 1.00 0.00 C ATOM 1122 CG PHE A 71 9.663 -7.701 -4.792 1.00 0.00 C ATOM 1123 CD1 PHE A 71 9.791 -7.218 -6.084 1.00 0.00 C ATOM 1124 CD2 PHE A 71 10.787 -7.747 -3.985 1.00 0.00 C ATOM 1125 CE1 PHE A 71 11.015 -6.786 -6.559 1.00 0.00 C ATOM 1126 CE2 PHE A 71 12.013 -7.317 -4.453 1.00 0.00 C ATOM 1127 CZ PHE A 71 12.127 -6.837 -5.743 1.00 0.00 C ATOM 0 H PHE A 71 6.002 -9.880 -5.184 1.00 0.00 H new ATOM 0 HA PHE A 71 8.891 -10.030 -5.180 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.549 -7.518 -4.657 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.320 -8.092 -3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.925 -7.179 -6.727 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.704 -8.124 -2.976 1.00 0.00 H new ATOM 0 HE1 PHE A 71 11.101 -6.409 -7.567 1.00 0.00 H new ATOM 0 HE2 PHE A 71 12.881 -7.356 -3.812 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.085 -6.502 -6.113 1.00 0.00 H new ATOM 1137 N LEU A 72 8.669 -11.365 -3.172 1.00 0.00 N ATOM 1138 CA LEU A 72 8.615 -12.290 -2.039 1.00 0.00 C ATOM 1139 C LEU A 72 7.786 -11.775 -0.856 1.00 0.00 C ATOM 1140 O LEU A 72 7.105 -12.554 -0.189 1.00 0.00 O ATOM 1141 CB LEU A 72 10.038 -12.558 -1.572 1.00 0.00 C ATOM 1142 CG LEU A 72 10.901 -11.302 -1.480 1.00 0.00 C ATOM 1143 CD1 LEU A 72 10.673 -10.606 -0.145 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.370 -11.645 -1.668 1.00 0.00 C ATOM 0 H LEU A 72 9.505 -11.481 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 72 8.121 -13.197 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.006 -13.038 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.509 -13.262 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 72 10.611 -10.620 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.294 -9.712 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.624 -10.326 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.939 -11.282 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.968 -10.736 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.682 -12.345 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.515 -12.101 -2.648 1.00 0.00 H new ATOM 1156 N SER A 73 7.853 -10.476 -0.581 1.00 0.00 N ATOM 1157 CA SER A 73 7.113 -9.906 0.539 1.00 0.00 C ATOM 1158 C SER A 73 6.756 -8.446 0.298 1.00 0.00 C ATOM 1159 O SER A 73 7.047 -7.885 -0.759 1.00 0.00 O ATOM 1160 CB SER A 73 7.927 -10.034 1.828 1.00 0.00 C ATOM 1161 OG SER A 73 7.123 -9.771 2.966 1.00 0.00 O ATOM 0 H SER A 73 8.406 -9.804 -1.113 1.00 0.00 H new ATOM 0 HA SER A 73 6.183 -10.466 0.636 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.347 -11.038 1.899 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.766 -9.339 1.803 1.00 0.00 H new ATOM 0 HG SER A 73 7.665 -9.861 3.777 1.00 0.00 H new ATOM 1167 N LEU A 74 6.117 -7.841 1.295 1.00 0.00 N ATOM 1168 CA LEU A 74 5.703 -6.448 1.212 1.00 0.00 C ATOM 1169 C LEU A 74 6.895 -5.500 1.266 1.00 0.00 C ATOM 1170 O LEU A 74 7.145 -4.757 0.318 1.00 0.00 O ATOM 1171 CB LEU A 74 4.753 -6.111 2.340 1.00 0.00 C ATOM 1172 CG LEU A 74 3.310 -6.469 2.053 1.00 0.00 C ATOM 1173 CD1 LEU A 74 2.442 -6.039 3.212 1.00 0.00 C ATOM 1174 CD2 LEU A 74 2.863 -5.823 0.746 1.00 0.00 C ATOM 0 H LEU A 74 5.875 -8.299 2.174 1.00 0.00 H new ATOM 0 HA LEU A 74 5.201 -6.320 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.075 -6.633 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.818 -5.043 2.550 1.00 0.00 H new ATOM 0 HG LEU A 74 3.213 -7.549 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.404 -6.297 3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.768 -6.548 4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.527 -4.961 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.824 -6.086 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.955 -4.740 0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.490 -6.181 -0.070 1.00 0.00 H new ATOM 1186 N PRO A 75 7.652 -5.506 2.385 1.00 0.00 N ATOM 1187 CA PRO A 75 8.818 -4.642 2.550 1.00 0.00 C ATOM 1188 C PRO A 75 9.671 -4.628 1.294 1.00 0.00 C ATOM 1189 O PRO A 75 10.142 -3.579 0.854 1.00 0.00 O ATOM 1190 CB PRO A 75 9.585 -5.266 3.729 1.00 0.00 C ATOM 1191 CG PRO A 75 8.846 -6.518 4.085 1.00 0.00 C ATOM 1192 CD PRO A 75 7.448 -6.345 3.569 1.00 0.00 C ATOM 0 HA PRO A 75 8.543 -3.603 2.733 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.616 -5.487 3.451 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.623 -4.581 4.576 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.321 -7.390 3.636 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.845 -6.675 5.164 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.987 -7.300 3.316 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.801 -5.863 4.302 1.00 0.00 H new ATOM 1200 N GLU A 76 9.838 -5.803 0.701 1.00 0.00 N ATOM 1201 CA GLU A 76 10.605 -5.917 -0.523 1.00 0.00 C ATOM 1202 C GLU A 76 9.747 -5.493 -1.702 1.00 0.00 C ATOM 1203 O GLU A 76 10.248 -4.907 -2.666 1.00 0.00 O ATOM 1204 CB GLU A 76 11.113 -7.342 -0.718 1.00 0.00 C ATOM 1205 CG GLU A 76 11.797 -7.925 0.510 1.00 0.00 C ATOM 1206 CD GLU A 76 12.701 -6.928 1.213 1.00 0.00 C ATOM 1207 OE1 GLU A 76 13.324 -6.098 0.516 1.00 0.00 O ATOM 1208 OE2 GLU A 76 12.784 -6.978 2.457 1.00 0.00 O ATOM 0 H GLU A 76 9.454 -6.682 1.048 1.00 0.00 H new ATOM 0 HA GLU A 76 11.472 -5.260 -0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.275 -7.982 -0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.813 -7.357 -1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.038 -8.276 1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.384 -8.794 0.214 1.00 0.00 H new ATOM 1215 N LEU A 77 8.440 -5.758 -1.619 1.00 0.00 N ATOM 1216 CA LEU A 77 7.547 -5.357 -2.688 1.00 0.00 C ATOM 1217 C LEU A 77 7.555 -3.843 -2.801 1.00 0.00 C ATOM 1218 O LEU A 77 7.922 -3.285 -3.834 1.00 0.00 O ATOM 1219 CB LEU A 77 6.130 -5.848 -2.428 1.00 0.00 C ATOM 1220 CG LEU A 77 5.063 -5.168 -3.280 1.00 0.00 C ATOM 1221 CD1 LEU A 77 3.924 -6.121 -3.563 1.00 0.00 C ATOM 1222 CD2 LEU A 77 4.570 -3.901 -2.598 1.00 0.00 C ATOM 0 H LEU A 77 7.993 -6.238 -0.838 1.00 0.00 H new ATOM 0 HA LEU A 77 7.893 -5.802 -3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.092 -6.922 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.892 -5.692 -1.376 1.00 0.00 H new ATOM 0 HG LEU A 77 5.504 -4.885 -4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.172 -5.619 -4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.303 -6.992 -4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.475 -6.441 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.809 -3.427 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.142 -4.153 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.405 -3.214 -2.459 1.00 0.00 H new ATOM 1234 N VAL A 78 7.169 -3.182 -1.712 1.00 0.00 N ATOM 1235 CA VAL A 78 7.158 -1.732 -1.676 1.00 0.00 C ATOM 1236 C VAL A 78 8.505 -1.200 -2.144 1.00 0.00 C ATOM 1237 O VAL A 78 8.593 -0.118 -2.718 1.00 0.00 O ATOM 1238 CB VAL A 78 6.848 -1.198 -0.264 1.00 0.00 C ATOM 1239 CG1 VAL A 78 6.883 0.323 -0.243 1.00 0.00 C ATOM 1240 CG2 VAL A 78 5.492 -1.705 0.207 1.00 0.00 C ATOM 0 H VAL A 78 6.862 -3.630 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 78 6.368 -1.385 -2.343 1.00 0.00 H new ATOM 0 HB VAL A 78 7.615 -1.566 0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.661 0.678 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.873 0.668 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.139 0.714 -0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.286 -1.320 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.717 -1.364 -0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.500 -2.795 0.233 1.00 0.00 H new ATOM 1250 N ASN A 79 9.553 -1.987 -1.916 1.00 0.00 N ATOM 1251 CA ASN A 79 10.890 -1.607 -2.342 1.00 0.00 C ATOM 1252 C ASN A 79 10.895 -1.332 -3.842 1.00 0.00 C ATOM 1253 O ASN A 79 11.497 -0.361 -4.306 1.00 0.00 O ATOM 1254 CB ASN A 79 11.893 -2.711 -2.003 1.00 0.00 C ATOM 1255 CG ASN A 79 13.195 -2.160 -1.451 1.00 0.00 C ATOM 1256 OD1 ASN A 79 13.960 -1.515 -2.166 1.00 0.00 O ATOM 1257 ND2 ASN A 79 13.450 -2.415 -0.173 1.00 0.00 N ATOM 0 H ASN A 79 9.499 -2.888 -1.440 1.00 0.00 H new ATOM 0 HA ASN A 79 11.184 -0.701 -1.813 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.450 -3.389 -1.273 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.100 -3.297 -2.898 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.310 -2.071 0.254 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.786 -2.955 0.382 1.00 0.00 H new ATOM 1264 N TYR A 80 10.194 -2.178 -4.599 1.00 0.00 N ATOM 1265 CA TYR A 80 10.111 -1.994 -6.043 1.00 0.00 C ATOM 1266 C TYR A 80 8.998 -1.007 -6.377 1.00 0.00 C ATOM 1267 O TYR A 80 9.071 -0.277 -7.367 1.00 0.00 O ATOM 1268 CB TYR A 80 9.895 -3.336 -6.761 1.00 0.00 C ATOM 1269 CG TYR A 80 8.445 -3.754 -6.906 1.00 0.00 C ATOM 1270 CD1 TYR A 80 7.605 -3.131 -7.824 1.00 0.00 C ATOM 1271 CD2 TYR A 80 7.921 -4.776 -6.128 1.00 0.00 C ATOM 1272 CE1 TYR A 80 6.285 -3.516 -7.958 1.00 0.00 C ATOM 1273 CE2 TYR A 80 6.604 -5.166 -6.259 1.00 0.00 C ATOM 1274 CZ TYR A 80 5.790 -4.534 -7.173 1.00 0.00 C ATOM 1275 OH TYR A 80 4.475 -4.918 -7.300 1.00 0.00 O ATOM 0 H TYR A 80 9.684 -2.985 -4.240 1.00 0.00 H new ATOM 0 HA TYR A 80 11.057 -1.585 -6.397 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.342 -3.277 -7.753 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.430 -4.114 -6.216 1.00 0.00 H new ATOM 0 HD1 TYR A 80 7.991 -2.334 -8.442 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.554 -5.274 -5.408 1.00 0.00 H new ATOM 0 HE1 TYR A 80 5.645 -3.022 -8.674 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.212 -5.965 -5.647 1.00 0.00 H new ATOM 0 HH TYR A 80 4.286 -5.649 -6.675 1.00 0.00 H new ATOM 1285 N HIS A 81 7.975 -0.982 -5.528 1.00 0.00 N ATOM 1286 CA HIS A 81 6.850 -0.077 -5.708 1.00 0.00 C ATOM 1287 C HIS A 81 7.278 1.358 -5.427 1.00 0.00 C ATOM 1288 O HIS A 81 6.708 2.307 -5.967 1.00 0.00 O ATOM 1289 CB HIS A 81 5.702 -0.472 -4.777 1.00 0.00 C ATOM 1290 CG HIS A 81 4.492 -0.973 -5.497 1.00 0.00 C ATOM 1291 ND1 HIS A 81 3.272 -1.163 -4.884 1.00 0.00 N ATOM 1292 CD2 HIS A 81 4.321 -1.330 -6.789 1.00 0.00 C ATOM 1293 CE1 HIS A 81 2.405 -1.616 -5.771 1.00 0.00 C ATOM 1294 NE2 HIS A 81 3.017 -1.726 -6.934 1.00 0.00 N ATOM 0 H HIS A 81 7.904 -1.582 -4.706 1.00 0.00 H new ATOM 0 HA HIS A 81 6.508 -0.146 -6.741 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.051 -1.243 -4.091 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.423 0.391 -4.172 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.073 -1.307 -7.564 1.00 0.00 H new ATOM 0 HE1 HIS A 81 1.370 -1.856 -5.577 1.00 0.00 H new ATOM 0 HE2 HIS A 81 2.589 -2.053 -7.801 1.00 0.00 H new ATOM 1303 N ARG A 82 8.290 1.510 -4.577 1.00 0.00 N ATOM 1304 CA ARG A 82 8.796 2.825 -4.222 1.00 0.00 C ATOM 1305 C ARG A 82 9.650 3.381 -5.337 1.00 0.00 C ATOM 1306 O ARG A 82 9.558 4.554 -5.688 1.00 0.00 O ATOM 1307 CB ARG A 82 9.590 2.759 -2.912 1.00 0.00 C ATOM 1308 CG ARG A 82 10.489 3.963 -2.668 1.00 0.00 C ATOM 1309 CD ARG A 82 11.007 3.993 -1.239 1.00 0.00 C ATOM 1310 NE ARG A 82 12.135 4.908 -1.085 1.00 0.00 N ATOM 1311 CZ ARG A 82 13.342 4.693 -1.605 1.00 0.00 C ATOM 1312 NH1 ARG A 82 13.580 3.599 -2.317 1.00 0.00 N ATOM 1313 NH2 ARG A 82 14.312 5.577 -1.415 1.00 0.00 N ATOM 0 H ARG A 82 8.774 0.735 -4.123 1.00 0.00 H new ATOM 0 HA ARG A 82 7.948 3.494 -4.074 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.891 2.667 -2.081 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.202 1.857 -2.916 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.330 3.936 -3.360 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.936 4.879 -2.875 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.202 4.293 -0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.311 2.989 -0.943 1.00 0.00 H new ATOM 0 HE ARG A 82 11.990 5.762 -0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.837 2.917 -2.469 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.506 3.440 -2.713 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.133 6.421 -0.871 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.237 5.413 -1.813 1.00 0.00 H new ATOM 1327 N ALA A 83 10.468 2.525 -5.899 1.00 0.00 N ATOM 1328 CA ALA A 83 11.328 2.921 -6.993 1.00 0.00 C ATOM 1329 C ALA A 83 10.492 3.137 -8.245 1.00 0.00 C ATOM 1330 O ALA A 83 10.409 4.242 -8.775 1.00 0.00 O ATOM 1331 CB ALA A 83 12.400 1.870 -7.239 1.00 0.00 C ATOM 0 H ALA A 83 10.558 1.548 -5.618 1.00 0.00 H new ATOM 0 HA ALA A 83 11.827 3.855 -6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.037 2.186 -8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.005 1.750 -6.340 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.928 0.920 -7.488 1.00 0.00 H new ATOM 1337 N GLN A 84 9.868 2.061 -8.702 1.00 0.00 N ATOM 1338 CA GLN A 84 9.021 2.103 -9.889 1.00 0.00 C ATOM 1339 C GLN A 84 7.541 2.231 -9.535 1.00 0.00 C ATOM 1340 O GLN A 84 7.038 1.521 -8.665 1.00 0.00 O ATOM 1341 CB GLN A 84 9.244 0.855 -10.744 1.00 0.00 C ATOM 1342 CG GLN A 84 10.688 0.663 -11.177 1.00 0.00 C ATOM 1343 CD GLN A 84 10.983 -0.762 -11.604 1.00 0.00 C ATOM 1344 OE1 GLN A 84 10.715 -1.711 -10.866 1.00 0.00 O ATOM 1345 NE2 GLN A 84 11.539 -0.919 -12.799 1.00 0.00 N ATOM 0 H GLN A 84 9.932 1.141 -8.266 1.00 0.00 H new ATOM 0 HA GLN A 84 9.304 2.990 -10.456 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.922 -0.022 -10.182 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.613 0.915 -11.631 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.909 1.339 -12.003 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.350 0.937 -10.355 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.744 -0.104 -13.377 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.761 -1.855 -13.139 1.00 0.00 H new ATOM 1354 N SER A 85 6.838 3.113 -10.243 1.00 0.00 N ATOM 1355 CA SER A 85 5.404 3.299 -10.031 1.00 0.00 C ATOM 1356 C SER A 85 4.607 2.465 -11.037 1.00 0.00 C ATOM 1357 O SER A 85 3.454 2.773 -11.337 1.00 0.00 O ATOM 1358 CB SER A 85 5.024 4.775 -10.166 1.00 0.00 C ATOM 1359 OG SER A 85 6.174 5.592 -10.298 1.00 0.00 O ATOM 0 H SER A 85 7.238 3.709 -10.968 1.00 0.00 H new ATOM 0 HA SER A 85 5.163 2.967 -9.021 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.379 4.909 -11.034 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.452 5.087 -9.292 1.00 0.00 H new ATOM 0 HG SER A 85 5.901 6.529 -10.384 1.00 0.00 H new ATOM 1365 N LEU A 86 5.240 1.417 -11.566 1.00 0.00 N ATOM 1366 CA LEU A 86 4.612 0.542 -12.555 1.00 0.00 C ATOM 1367 C LEU A 86 3.174 0.190 -12.182 1.00 0.00 C ATOM 1368 O LEU A 86 2.229 0.642 -12.829 1.00 0.00 O ATOM 1369 CB LEU A 86 5.434 -0.740 -12.717 1.00 0.00 C ATOM 1370 CG LEU A 86 4.985 -1.659 -13.854 1.00 0.00 C ATOM 1371 CD1 LEU A 86 6.116 -2.592 -14.263 1.00 0.00 C ATOM 1372 CD2 LEU A 86 3.757 -2.457 -13.443 1.00 0.00 C ATOM 0 H LEU A 86 6.195 1.153 -11.323 1.00 0.00 H new ATOM 0 HA LEU A 86 4.584 1.086 -13.499 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.476 -0.467 -12.882 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.395 -1.299 -11.782 1.00 0.00 H new ATOM 0 HG LEU A 86 4.721 -1.041 -14.712 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.779 -3.239 -15.073 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.969 -2.003 -14.600 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.410 -3.203 -13.410 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.452 -3.105 -14.265 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.994 -3.065 -12.570 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.944 -1.773 -13.199 1.00 0.00 H new ATOM 1384 N SER A 87 3.014 -0.626 -11.147 1.00 0.00 N ATOM 1385 CA SER A 87 1.689 -1.045 -10.707 1.00 0.00 C ATOM 1386 C SER A 87 1.260 -0.303 -9.447 1.00 0.00 C ATOM 1387 O SER A 87 0.686 -0.894 -8.531 1.00 0.00 O ATOM 1388 CB SER A 87 1.669 -2.554 -10.455 1.00 0.00 C ATOM 1389 OG SER A 87 0.443 -2.958 -9.872 1.00 0.00 O ATOM 0 H SER A 87 3.783 -1.010 -10.598 1.00 0.00 H new ATOM 0 HA SER A 87 0.982 -0.801 -11.500 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.820 -3.085 -11.395 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.495 -2.827 -9.798 1.00 0.00 H new ATOM 0 HG SER A 87 0.336 -2.523 -9.000 1.00 0.00 H new ATOM 1395 N HIS A 88 1.535 0.996 -9.404 1.00 0.00 N ATOM 1396 CA HIS A 88 1.167 1.806 -8.253 1.00 0.00 C ATOM 1397 C HIS A 88 1.075 3.281 -8.634 1.00 0.00 C ATOM 1398 O HIS A 88 1.949 3.815 -9.318 1.00 0.00 O ATOM 1399 CB HIS A 88 2.168 1.593 -7.118 1.00 0.00 C ATOM 1400 CG HIS A 88 1.612 1.899 -5.764 1.00 0.00 C ATOM 1401 ND1 HIS A 88 0.978 0.961 -4.978 1.00 0.00 N ATOM 1402 CD2 HIS A 88 1.608 3.046 -5.049 1.00 0.00 C ATOM 1403 CE1 HIS A 88 0.615 1.518 -3.840 1.00 0.00 C ATOM 1404 NE2 HIS A 88 0.986 2.782 -3.857 1.00 0.00 N ATOM 0 H HIS A 88 2.009 1.507 -10.149 1.00 0.00 H new ATOM 0 HA HIS A 88 0.182 1.492 -7.907 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.510 0.558 -7.136 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.042 2.220 -7.293 1.00 0.00 H new ATOM 0 HD1 HIS A 88 0.815 -0.012 -5.237 1.00 0.00 H new ATOM 0 HD2 HIS A 88 2.019 3.995 -5.360 1.00 0.00 H new ATOM 0 HE1 HIS A 88 0.100 1.022 -3.030 1.00 0.00 H new ATOM 1413 N GLY A 89 -0.006 3.923 -8.202 1.00 0.00 N ATOM 1414 CA GLY A 89 -0.237 5.326 -8.513 1.00 0.00 C ATOM 1415 C GLY A 89 0.979 6.217 -8.326 1.00 0.00 C ATOM 1416 O GLY A 89 1.243 7.087 -9.154 1.00 0.00 O ATOM 0 H GLY A 89 -0.736 3.492 -7.635 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.576 5.406 -9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.045 5.697 -7.883 1.00 0.00 H new ATOM 1420 N LEU A 90 1.711 6.023 -7.234 1.00 0.00 N ATOM 1421 CA LEU A 90 2.885 6.847 -6.960 1.00 0.00 C ATOM 1422 C LEU A 90 3.986 6.051 -6.270 1.00 0.00 C ATOM 1423 O LEU A 90 3.721 5.099 -5.539 1.00 0.00 O ATOM 1424 CB LEU A 90 2.493 8.045 -6.091 1.00 0.00 C ATOM 1425 CG LEU A 90 3.256 9.339 -6.387 1.00 0.00 C ATOM 1426 CD1 LEU A 90 2.437 10.246 -7.294 1.00 0.00 C ATOM 1427 CD2 LEU A 90 3.613 10.060 -5.093 1.00 0.00 C ATOM 0 H LEU A 90 1.516 5.311 -6.530 1.00 0.00 H new ATOM 0 HA LEU A 90 3.273 7.197 -7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.427 8.233 -6.218 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.648 7.781 -5.045 1.00 0.00 H new ATOM 0 HG LEU A 90 4.181 9.081 -6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.995 11.161 -7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.233 9.733 -8.234 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.495 10.495 -6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.155 10.977 -5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.701 10.305 -4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.239 9.414 -4.478 1.00 0.00 H new ATOM 1439 N ARG A 91 5.227 6.458 -6.503 1.00 0.00 N ATOM 1440 CA ARG A 91 6.377 5.796 -5.903 1.00 0.00 C ATOM 1441 C ARG A 91 6.298 5.847 -4.377 1.00 0.00 C ATOM 1442 O ARG A 91 6.503 6.899 -3.773 1.00 0.00 O ATOM 1443 CB ARG A 91 7.668 6.463 -6.383 1.00 0.00 C ATOM 1444 CG ARG A 91 8.147 5.969 -7.738 1.00 0.00 C ATOM 1445 CD ARG A 91 9.169 6.918 -8.344 1.00 0.00 C ATOM 1446 NE ARG A 91 8.657 7.585 -9.538 1.00 0.00 N ATOM 1447 CZ ARG A 91 8.631 7.027 -10.747 1.00 0.00 C ATOM 1448 NH1 ARG A 91 9.080 5.791 -10.925 1.00 0.00 N ATOM 1449 NH2 ARG A 91 8.152 7.708 -11.779 1.00 0.00 N ATOM 0 H ARG A 91 5.463 7.246 -7.106 1.00 0.00 H new ATOM 0 HA ARG A 91 6.374 4.751 -6.211 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.512 7.541 -6.434 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.452 6.289 -5.646 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.587 4.978 -7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.296 5.869 -8.412 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.452 7.667 -7.604 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.072 6.364 -8.598 1.00 0.00 H new ATOM 0 HE ARG A 91 8.298 8.535 -9.440 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.448 5.263 -10.133 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.057 5.369 -11.853 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.804 8.658 -11.646 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.131 7.282 -12.706 1.00 0.00 H new ATOM 1463 N LEU A 92 5.999 4.703 -3.760 1.00 0.00 N ATOM 1464 CA LEU A 92 5.892 4.618 -2.302 1.00 0.00 C ATOM 1465 C LEU A 92 7.077 5.294 -1.630 1.00 0.00 C ATOM 1466 O LEU A 92 8.158 4.721 -1.505 1.00 0.00 O ATOM 1467 CB LEU A 92 5.762 3.166 -1.874 1.00 0.00 C ATOM 1468 CG LEU A 92 4.555 2.468 -2.493 1.00 0.00 C ATOM 1469 CD1 LEU A 92 4.417 1.040 -1.988 1.00 0.00 C ATOM 1470 CD2 LEU A 92 3.290 3.260 -2.210 1.00 0.00 C ATOM 0 H LEU A 92 5.827 3.823 -4.246 1.00 0.00 H new ATOM 0 HA LEU A 92 4.995 5.148 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.668 2.628 -2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.685 3.119 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 92 4.709 2.421 -3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.547 0.573 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.312 0.474 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.293 1.047 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.435 2.752 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.143 3.338 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.383 4.258 -2.637 1.00 0.00 H new ATOM 1482 N ALA A 93 6.854 6.536 -1.232 1.00 0.00 N ATOM 1483 CA ALA A 93 7.893 7.351 -0.599 1.00 0.00 C ATOM 1484 C ALA A 93 7.953 7.164 0.917 1.00 0.00 C ATOM 1485 O ALA A 93 8.789 6.416 1.423 1.00 0.00 O ATOM 1486 CB ALA A 93 7.679 8.819 -0.940 1.00 0.00 C ATOM 0 H ALA A 93 5.957 7.010 -1.335 1.00 0.00 H new ATOM 0 HA ALA A 93 8.851 7.014 -0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.455 9.420 -0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.726 8.952 -2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.702 9.138 -0.578 1.00 0.00 H new ATOM 1492 N ALA A 94 7.078 7.861 1.640 1.00 0.00 N ATOM 1493 CA ALA A 94 7.054 7.782 3.099 1.00 0.00 C ATOM 1494 C ALA A 94 5.827 7.021 3.605 1.00 0.00 C ATOM 1495 O ALA A 94 5.011 6.553 2.814 1.00 0.00 O ATOM 1496 CB ALA A 94 7.092 9.184 3.689 1.00 0.00 C ATOM 0 H ALA A 94 6.378 8.486 1.240 1.00 0.00 H new ATOM 0 HA ALA A 94 7.935 7.228 3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.074 9.121 4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.004 9.689 3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.225 9.748 3.344 1.00 0.00 H new ATOM 1502 N PRO A 95 5.685 6.883 4.939 1.00 0.00 N ATOM 1503 CA PRO A 95 4.558 6.176 5.544 1.00 0.00 C ATOM 1504 C PRO A 95 3.339 7.073 5.730 1.00 0.00 C ATOM 1505 O PRO A 95 3.455 8.299 5.744 1.00 0.00 O ATOM 1506 CB PRO A 95 5.118 5.757 6.899 1.00 0.00 C ATOM 1507 CG PRO A 95 6.073 6.845 7.262 1.00 0.00 C ATOM 1508 CD PRO A 95 6.615 7.398 5.964 1.00 0.00 C ATOM 0 HA PRO A 95 4.207 5.350 4.926 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.327 5.659 7.642 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.620 4.792 6.839 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.572 7.625 7.835 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.880 6.460 7.885 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.636 8.488 5.972 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.636 7.061 5.782 1.00 0.00 H new ATOM 1516 N CYS A 96 2.171 6.457 5.880 1.00 0.00 N ATOM 1517 CA CYS A 96 0.933 7.203 6.071 1.00 0.00 C ATOM 1518 C CYS A 96 0.910 7.878 7.439 1.00 0.00 C ATOM 1519 O CYS A 96 1.831 7.712 8.240 1.00 0.00 O ATOM 1520 CB CYS A 96 -0.275 6.275 5.925 1.00 0.00 C ATOM 1521 SG CYS A 96 -0.409 5.023 7.223 1.00 0.00 S ATOM 0 H CYS A 96 2.056 5.444 5.873 1.00 0.00 H new ATOM 0 HA CYS A 96 0.882 7.976 5.304 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.183 6.877 5.922 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.220 5.775 4.958 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.462 4.291 7.012 1.00 0.00 H new ATOM 1527 N ARG A 97 -0.147 8.641 7.700 1.00 0.00 N ATOM 1528 CA ARG A 97 -0.289 9.342 8.971 1.00 0.00 C ATOM 1529 C ARG A 97 -1.725 9.817 9.170 1.00 0.00 C ATOM 1530 O ARG A 97 -2.463 10.016 8.205 1.00 0.00 O ATOM 1531 CB ARG A 97 0.669 10.533 9.032 1.00 0.00 C ATOM 1532 CG ARG A 97 1.995 10.214 9.703 1.00 0.00 C ATOM 1533 CD ARG A 97 2.719 11.479 10.136 1.00 0.00 C ATOM 1534 NE ARG A 97 2.019 12.167 11.217 1.00 0.00 N ATOM 1535 CZ ARG A 97 2.587 13.074 12.009 1.00 0.00 C ATOM 1536 NH1 ARG A 97 3.863 13.403 11.847 1.00 0.00 N ATOM 1537 NH2 ARG A 97 1.878 13.653 12.968 1.00 0.00 N ATOM 0 H ARG A 97 -0.917 8.789 7.048 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.040 8.646 9.772 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.860 10.887 8.019 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.187 11.349 9.569 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.821 9.578 10.571 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.625 9.650 9.016 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.728 11.226 10.461 1.00 0.00 H new ATOM 0 HD3 ARG A 97 2.818 12.150 9.283 1.00 0.00 H new ATOM 0 HE ARG A 97 1.037 11.939 11.375 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.415 12.960 11.112 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.292 14.099 12.457 1.00 0.00 H new ATOM 0 HH21 ARG A 97 0.898 13.404 13.099 1.00 0.00 H new ATOM 0 HH22 ARG A 97 2.313 14.348 13.575 1.00 0.00 H new