USER MOD reduce.3.24.130724 H: found=0, std=0, add=1034, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1037 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 2 LYS NZ :NH3+ -133:sc= 0.964 (180deg=-0.526!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 6 GLN : amide:sc= -1.4! K(o=-1.4!,f=-0.019) USER MOD Single : A 7 SER OG : rot 70:sc= -2.02! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 87:sc= 0.65 USER MOD Single : A 27 THR OG1 : rot 34:sc= 0.164 USER MOD Single : A 29 TYR OH : rot -122:sc= 1.17 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0.851 K(o=0.85,f=-5.9!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.00371 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.306 K(o=-0.31,f=-2.7!) USER MOD Single : A 49 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00249) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -0.755 (180deg=-0.889!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.8! C(o=-1.8!,f=-8.6!) USER MOD Single : A 65 GLN : amide:sc= -0.298 K(o=-0.3,f=-1.2) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc=-0.00162 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0733 USER MOD Single : A 84 SER OG : rot 110:sc= -0.62 USER MOD Single : A 89 SER OG : rot 180:sc= 0.0547 USER MOD Single : A 95 GLN : amide:sc= -3.59 K(o=-3.6,f=-11!) USER MOD Single : A 99 LYS NZ :NH3+ 167:sc=-0.00269 (180deg=-0.202) USER MOD Single : A 102 SER OG : rot 3:sc= 1.1 USER MOD Single : A 106 THR OG1 : rot 42:sc= 0.382 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.616 USER MOD Single : A 114 ASN : amide:sc= -5.67! K(o=-5.7!,f=-0.57) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 2 0.780 36.912 33.214 1.00 0.00 N ATOM 2 CA LYS A 2 2.198 36.495 33.114 1.00 0.00 C ATOM 3 C LYS A 2 3.115 37.710 33.193 1.00 0.00 C ATOM 4 O LYS A 2 2.853 38.734 32.563 1.00 0.00 O ATOM 5 CB LYS A 2 2.439 35.739 31.805 1.00 0.00 C ATOM 6 CG LYS A 2 1.787 34.367 31.759 1.00 0.00 C ATOM 7 CD LYS A 2 1.965 33.685 30.405 1.00 0.00 C ATOM 8 CE LYS A 2 3.431 33.447 30.061 1.00 0.00 C ATOM 9 NZ LYS A 2 4.007 34.551 29.246 1.00 0.00 N1+ ATOM 0 HA LYS A 2 2.423 35.831 33.949 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.062 36.338 30.976 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.513 35.626 31.654 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.215 33.738 32.539 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.723 34.465 31.977 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.437 32.732 30.409 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.508 34.299 29.629 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.005 33.340 30.981 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.526 32.508 29.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.534 34.151 28.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.240 35.156 28.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.650 35.118 29.835 1.00 0.00 H new ATOM 25 N VAL A 3 4.183 37.593 33.971 1.00 0.00 N ATOM 26 CA VAL A 3 5.126 38.690 34.158 1.00 0.00 C ATOM 27 C VAL A 3 6.548 38.231 33.856 1.00 0.00 C ATOM 28 O VAL A 3 7.517 38.749 34.411 1.00 0.00 O ATOM 29 CB VAL A 3 5.070 39.260 35.594 1.00 0.00 C ATOM 30 CG1 VAL A 3 3.767 40.005 35.828 1.00 0.00 C ATOM 31 CG2 VAL A 3 5.245 38.155 36.627 1.00 0.00 C ATOM 0 H VAL A 3 4.419 36.745 34.486 1.00 0.00 H new ATOM 0 HA VAL A 3 4.838 39.479 33.463 1.00 0.00 H new ATOM 0 HB VAL A 3 5.894 39.964 35.706 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.750 40.397 36.845 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.687 40.829 35.120 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.928 39.323 35.688 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.202 38.583 37.629 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.449 37.420 36.512 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.210 37.670 36.481 1.00 0.00 H new ATOM 41 N GLN A 4 6.661 37.260 32.966 1.00 0.00 N ATOM 42 CA GLN A 4 7.948 36.686 32.608 1.00 0.00 C ATOM 43 C GLN A 4 8.056 36.625 31.089 1.00 0.00 C ATOM 44 O GLN A 4 8.383 35.587 30.506 1.00 0.00 O ATOM 45 CB GLN A 4 8.074 35.284 33.211 1.00 0.00 C ATOM 46 CG GLN A 4 9.493 34.741 33.216 1.00 0.00 C ATOM 47 CD GLN A 4 9.562 33.283 33.618 1.00 0.00 C ATOM 48 OE1 GLN A 4 8.735 32.790 34.384 1.00 0.00 O ATOM 49 NE2 GLN A 4 10.557 32.580 33.107 1.00 0.00 N ATOM 0 H GLN A 4 5.868 36.849 32.473 1.00 0.00 H new ATOM 0 HA GLN A 4 8.755 37.304 33.001 1.00 0.00 H new ATOM 0 HB2 GLN A 4 7.700 35.304 34.235 1.00 0.00 H new ATOM 0 HB3 GLN A 4 7.436 34.600 32.652 1.00 0.00 H new ATOM 0 HG2 GLN A 4 9.926 34.860 32.223 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.101 35.331 33.902 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.223 33.024 32.475 1.00 0.00 H new ATOM 0 HE22 GLN A 4 10.659 31.593 33.344 1.00 0.00 H new ATOM 58 N GLU A 5 7.772 37.752 30.456 1.00 0.00 N ATOM 59 CA GLU A 5 7.626 37.806 29.010 1.00 0.00 C ATOM 60 C GLU A 5 8.962 38.086 28.326 1.00 0.00 C ATOM 61 O GLU A 5 9.237 39.215 27.913 1.00 0.00 O ATOM 62 CB GLU A 5 6.608 38.888 28.625 1.00 0.00 C ATOM 63 CG GLU A 5 5.369 38.916 29.510 1.00 0.00 C ATOM 64 CD GLU A 5 4.635 37.592 29.551 1.00 0.00 C ATOM 65 OE1 GLU A 5 3.767 37.359 28.685 1.00 0.00 O ATOM 66 OE2 GLU A 5 4.909 36.779 30.457 1.00 0.00 O1- ATOM 0 H GLU A 5 7.637 38.648 30.925 1.00 0.00 H new ATOM 0 HA GLU A 5 7.269 36.833 28.672 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.095 39.862 28.668 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.300 38.731 27.591 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.660 39.194 30.523 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.690 39.689 29.150 1.00 0.00 H new ATOM 73 N GLN A 6 9.793 37.060 28.215 1.00 0.00 N ATOM 74 CA GLN A 6 11.064 37.189 27.515 1.00 0.00 C ATOM 75 C GLN A 6 10.900 36.818 26.046 1.00 0.00 C ATOM 76 O GLN A 6 11.126 37.636 25.153 1.00 0.00 O ATOM 77 CB GLN A 6 12.134 36.302 28.160 1.00 0.00 C ATOM 78 CG GLN A 6 13.446 36.283 27.387 1.00 0.00 C ATOM 79 CD GLN A 6 14.442 35.274 27.928 1.00 0.00 C ATOM 80 OE1 GLN A 6 15.653 35.464 27.820 1.00 0.00 O ATOM 81 NE2 GLN A 6 13.939 34.200 28.511 1.00 0.00 N ATOM 0 H GLN A 6 9.612 36.132 28.599 1.00 0.00 H new ATOM 0 HA GLN A 6 11.385 38.228 27.586 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.323 36.652 29.175 1.00 0.00 H new ATOM 0 HB3 GLN A 6 11.753 35.284 28.240 1.00 0.00 H new ATOM 0 HG2 GLN A 6 13.241 36.057 26.341 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.893 37.277 27.417 1.00 0.00 H new ATOM 0 HE21 GLN A 6 12.928 34.083 28.579 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.562 33.488 28.893 1.00 0.00 H new ATOM 90 N SER A 7 10.491 35.584 25.803 1.00 0.00 N ATOM 91 CA SER A 7 10.346 35.084 24.451 1.00 0.00 C ATOM 92 C SER A 7 8.910 35.249 23.972 1.00 0.00 C ATOM 93 O SER A 7 7.978 34.688 24.556 1.00 0.00 O ATOM 94 CB SER A 7 10.765 33.611 24.389 1.00 0.00 C ATOM 95 OG SER A 7 10.769 33.135 23.054 1.00 0.00 O ATOM 0 H SER A 7 10.253 34.909 26.530 1.00 0.00 H new ATOM 0 HA SER A 7 10.995 35.662 23.793 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.758 33.494 24.822 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.082 33.010 24.990 1.00 0.00 H new ATOM 0 HG SER A 7 11.507 33.551 22.561 1.00 0.00 H new ATOM 101 N VAL A 8 8.733 36.036 22.921 1.00 0.00 N ATOM 102 CA VAL A 8 7.413 36.277 22.360 1.00 0.00 C ATOM 103 C VAL A 8 7.302 35.661 20.969 1.00 0.00 C ATOM 104 O VAL A 8 6.450 34.805 20.719 1.00 0.00 O ATOM 105 CB VAL A 8 7.104 37.790 22.272 1.00 0.00 C ATOM 106 CG1 VAL A 8 5.693 38.027 21.757 1.00 0.00 C ATOM 107 CG2 VAL A 8 7.299 38.460 23.625 1.00 0.00 C ATOM 0 H VAL A 8 9.490 36.520 22.438 1.00 0.00 H new ATOM 0 HA VAL A 8 6.687 35.810 23.026 1.00 0.00 H new ATOM 0 HB VAL A 8 7.803 38.235 21.565 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.500 39.099 21.704 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.590 37.590 20.764 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.976 37.562 22.434 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.076 39.524 23.540 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.629 38.006 24.356 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.331 38.330 23.950 1.00 0.00 H new ATOM 117 N GLY A 9 8.193 36.072 20.080 1.00 0.00 N ATOM 118 CA GLY A 9 8.123 35.644 18.696 1.00 0.00 C ATOM 119 C GLY A 9 8.891 34.371 18.416 1.00 0.00 C ATOM 120 O GLY A 9 9.305 34.123 17.284 1.00 0.00 O ATOM 0 H GLY A 9 8.969 36.699 20.293 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.078 35.496 18.423 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.509 36.439 18.059 1.00 0.00 H new ATOM 124 N ALA A 10 9.085 33.559 19.437 1.00 0.00 N ATOM 125 CA ALA A 10 9.714 32.265 19.258 1.00 0.00 C ATOM 126 C ALA A 10 8.722 31.160 19.571 1.00 0.00 C ATOM 127 O ALA A 10 8.294 31.009 20.719 1.00 0.00 O ATOM 128 CB ALA A 10 10.956 32.138 20.125 1.00 0.00 C ATOM 0 H ALA A 10 8.817 33.772 20.398 1.00 0.00 H new ATOM 0 HA ALA A 10 10.026 32.172 18.218 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.408 31.158 19.971 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.671 32.914 19.852 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.681 32.250 21.174 1.00 0.00 H new ATOM 134 N PRO A 11 8.312 30.402 18.545 1.00 0.00 N ATOM 135 CA PRO A 11 7.376 29.289 18.710 1.00 0.00 C ATOM 136 C PRO A 11 7.982 28.155 19.534 1.00 0.00 C ATOM 137 O PRO A 11 9.029 27.611 19.178 1.00 0.00 O ATOM 138 CB PRO A 11 7.103 28.825 17.275 1.00 0.00 C ATOM 139 CG PRO A 11 8.275 29.296 16.487 1.00 0.00 C ATOM 140 CD PRO A 11 8.729 30.569 17.140 1.00 0.00 C ATOM 0 HA PRO A 11 6.475 29.588 19.245 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.003 27.741 17.223 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.175 29.249 16.893 1.00 0.00 H new ATOM 0 HG2 PRO A 11 9.071 28.551 16.489 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.002 29.468 15.446 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.807 30.702 17.054 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.263 31.443 16.684 1.00 0.00 H new ATOM 148 N PRO A 12 7.339 27.802 20.658 1.00 0.00 N ATOM 149 CA PRO A 12 7.790 26.707 21.515 1.00 0.00 C ATOM 150 C PRO A 12 7.635 25.352 20.831 1.00 0.00 C ATOM 151 O PRO A 12 6.539 24.985 20.399 1.00 0.00 O ATOM 152 CB PRO A 12 6.871 26.806 22.740 1.00 0.00 C ATOM 153 CG PRO A 12 5.653 27.509 22.249 1.00 0.00 C ATOM 154 CD PRO A 12 6.124 28.453 21.179 1.00 0.00 C ATOM 0 HA PRO A 12 8.849 26.785 21.763 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.627 25.819 23.131 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.348 27.360 23.548 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.926 26.800 21.852 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.162 28.050 23.058 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.373 28.584 20.400 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.340 29.442 21.583 1.00 0.00 H new ATOM 162 N PRO A 13 8.738 24.602 20.702 1.00 0.00 N ATOM 163 CA PRO A 13 8.730 23.286 20.055 1.00 0.00 C ATOM 164 C PRO A 13 7.839 22.293 20.792 1.00 0.00 C ATOM 165 O PRO A 13 8.138 21.887 21.919 1.00 0.00 O ATOM 166 CB PRO A 13 10.195 22.836 20.115 1.00 0.00 C ATOM 167 CG PRO A 13 10.976 24.082 20.361 1.00 0.00 C ATOM 168 CD PRO A 13 10.081 24.972 21.172 1.00 0.00 C ATOM 0 HA PRO A 13 8.334 23.336 19.041 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.351 22.109 20.912 1.00 0.00 H new ATOM 0 HB3 PRO A 13 10.499 22.358 19.184 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.900 23.865 20.896 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.256 24.560 19.422 1.00 0.00 H new ATOM 0 HD2 PRO A 13 10.198 24.796 22.241 1.00 0.00 H new ATOM 0 HD3 PRO A 13 10.294 26.027 20.997 1.00 0.00 H new ATOM 176 N GLY A 14 6.739 21.920 20.161 1.00 0.00 N ATOM 177 CA GLY A 14 5.832 20.965 20.754 1.00 0.00 C ATOM 178 C GLY A 14 6.139 19.552 20.307 1.00 0.00 C ATOM 179 O GLY A 14 6.364 18.663 21.132 1.00 0.00 O ATOM 0 H GLY A 14 6.457 22.264 19.243 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.898 21.026 21.840 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.807 21.219 20.482 1.00 0.00 H new ATOM 183 N ARG A 15 6.179 19.349 18.998 1.00 0.00 N ATOM 184 CA ARG A 15 6.452 18.036 18.438 1.00 0.00 C ATOM 185 C ARG A 15 7.586 18.093 17.425 1.00 0.00 C ATOM 186 O ARG A 15 7.441 18.676 16.351 1.00 0.00 O ATOM 187 CB ARG A 15 5.208 17.459 17.760 1.00 0.00 C ATOM 188 CG ARG A 15 4.066 17.150 18.709 1.00 0.00 C ATOM 189 CD ARG A 15 2.962 16.394 17.995 1.00 0.00 C ATOM 190 NE ARG A 15 3.453 15.140 17.423 1.00 0.00 N ATOM 191 CZ ARG A 15 2.988 14.587 16.304 1.00 0.00 C ATOM 192 NH1 ARG A 15 2.007 15.162 15.621 1.00 0.00 N1+ ATOM 193 NH2 ARG A 15 3.516 13.455 15.867 1.00 0.00 N ATOM 0 H ARG A 15 6.025 20.080 18.303 1.00 0.00 H new ATOM 0 HA ARG A 15 6.745 17.391 19.266 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.858 18.166 17.007 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.486 16.545 17.235 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.434 16.559 19.548 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.669 18.077 19.122 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.153 16.184 18.694 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.546 17.017 17.204 1.00 0.00 H new ATOM 0 HE ARG A 15 4.204 14.656 17.915 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.600 16.037 15.951 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.659 14.729 14.765 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.274 13.012 16.386 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.165 13.026 15.011 1.00 0.00 H new ATOM 207 N ALA A 16 8.719 17.513 17.787 1.00 0.00 N ATOM 208 CA ALA A 16 9.792 17.275 16.835 1.00 0.00 C ATOM 209 C ALA A 16 9.513 15.966 16.114 1.00 0.00 C ATOM 210 O ALA A 16 9.440 15.922 14.887 1.00 0.00 O ATOM 211 CB ALA A 16 11.141 17.232 17.542 1.00 0.00 C ATOM 0 H ALA A 16 8.920 17.198 18.736 1.00 0.00 H new ATOM 0 HA ALA A 16 9.832 18.089 16.112 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.929 17.053 16.811 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.320 18.184 18.043 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.140 16.429 18.279 1.00 0.00 H new ATOM 217 N ASP A 17 9.350 14.919 16.921 1.00 0.00 N ATOM 218 CA ASP A 17 8.869 13.607 16.475 1.00 0.00 C ATOM 219 C ASP A 17 9.564 13.121 15.209 1.00 0.00 C ATOM 220 O ASP A 17 8.976 13.100 14.128 1.00 0.00 O ATOM 221 CB ASP A 17 7.350 13.643 16.270 1.00 0.00 C ATOM 222 CG ASP A 17 6.577 13.651 17.579 1.00 0.00 C ATOM 223 OD1 ASP A 17 6.991 14.351 18.532 1.00 0.00 O1- ATOM 224 OD2 ASP A 17 5.542 12.955 17.664 1.00 0.00 O ATOM 0 H ASP A 17 9.551 14.956 17.920 1.00 0.00 H new ATOM 0 HA ASP A 17 9.115 12.894 17.262 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.087 14.530 15.693 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.047 12.778 15.680 1.00 0.00 H new ATOM 229 N LYS A 18 10.817 12.715 15.352 1.00 0.00 N ATOM 230 CA LYS A 18 11.569 12.186 14.228 1.00 0.00 C ATOM 231 C LYS A 18 12.371 10.961 14.648 1.00 0.00 C ATOM 232 O LYS A 18 12.945 10.921 15.737 1.00 0.00 O ATOM 233 CB LYS A 18 12.493 13.257 13.636 1.00 0.00 C ATOM 234 CG LYS A 18 13.568 13.757 14.588 1.00 0.00 C ATOM 235 CD LYS A 18 14.462 14.782 13.909 1.00 0.00 C ATOM 236 CE LYS A 18 15.623 15.192 14.798 1.00 0.00 C ATOM 237 NZ LYS A 18 16.501 16.189 14.134 1.00 0.00 N1+ ATOM 0 H LYS A 18 11.331 12.742 16.232 1.00 0.00 H new ATOM 0 HA LYS A 18 10.859 11.886 13.457 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.974 12.852 12.745 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.887 14.104 13.314 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.102 14.201 15.468 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.170 12.918 14.936 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.846 14.369 12.976 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.874 15.662 13.649 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.238 15.609 15.729 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.208 14.311 15.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.282 16.444 14.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.888 15.782 13.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.949 17.040 13.905 1.00 0.00 H new ATOM 251 N THR A 19 12.384 9.955 13.789 1.00 0.00 N ATOM 252 CA THR A 19 13.129 8.733 14.045 1.00 0.00 C ATOM 253 C THR A 19 14.560 8.864 13.523 1.00 0.00 C ATOM 254 O THR A 19 15.458 8.124 13.924 1.00 0.00 O ATOM 255 CB THR A 19 12.437 7.529 13.372 1.00 0.00 C ATOM 256 OG1 THR A 19 11.022 7.606 13.591 1.00 0.00 O ATOM 257 CG2 THR A 19 12.961 6.211 13.925 1.00 0.00 C ATOM 0 H THR A 19 11.882 9.961 12.901 1.00 0.00 H new ATOM 0 HA THR A 19 13.157 8.568 15.122 1.00 0.00 H new ATOM 0 HB THR A 19 12.655 7.565 12.305 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.583 6.842 13.162 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.454 5.382 13.431 1.00 0.00 H new ATOM 0 HG22 THR A 19 14.033 6.141 13.743 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.771 6.165 14.997 1.00 0.00 H new ATOM 265 N ALA A 20 14.772 9.828 12.637 1.00 0.00 N ATOM 266 CA ALA A 20 16.086 10.052 12.047 1.00 0.00 C ATOM 267 C ALA A 20 16.955 10.904 12.967 1.00 0.00 C ATOM 268 O ALA A 20 17.367 12.008 12.610 1.00 0.00 O ATOM 269 CB ALA A 20 15.943 10.705 10.680 1.00 0.00 C ATOM 0 H ALA A 20 14.049 10.469 12.310 1.00 0.00 H new ATOM 0 HA ALA A 20 16.578 9.088 11.920 1.00 0.00 H new ATOM 0 HB1 ALA A 20 16.931 10.867 10.249 1.00 0.00 H new ATOM 0 HB2 ALA A 20 15.364 10.054 10.025 1.00 0.00 H new ATOM 0 HB3 ALA A 20 15.432 11.662 10.786 1.00 0.00 H new ATOM 275 N ALA A 21 17.222 10.389 14.157 1.00 0.00 N ATOM 276 CA ALA A 21 18.033 11.107 15.128 1.00 0.00 C ATOM 277 C ALA A 21 19.310 10.335 15.489 1.00 0.00 C ATOM 278 O ALA A 21 20.409 10.838 15.261 1.00 0.00 O ATOM 279 CB ALA A 21 17.216 11.445 16.371 1.00 0.00 C ATOM 0 H ALA A 21 16.890 9.478 14.473 1.00 0.00 H new ATOM 0 HA ALA A 21 18.349 12.043 14.666 1.00 0.00 H new ATOM 0 HB1 ALA A 21 17.843 11.982 17.083 1.00 0.00 H new ATOM 0 HB2 ALA A 21 16.368 12.070 16.090 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.852 10.525 16.829 1.00 0.00 H new ATOM 285 N PRO A 22 19.205 9.103 16.042 1.00 0.00 N ATOM 286 CA PRO A 22 20.380 8.351 16.486 1.00 0.00 C ATOM 287 C PRO A 22 21.182 7.755 15.328 1.00 0.00 C ATOM 288 O PRO A 22 22.106 8.382 14.820 1.00 0.00 O ATOM 289 CB PRO A 22 19.800 7.238 17.376 1.00 0.00 C ATOM 290 CG PRO A 22 18.342 7.543 17.509 1.00 0.00 C ATOM 291 CD PRO A 22 17.973 8.346 16.297 1.00 0.00 C ATOM 0 HA PRO A 22 21.087 8.998 17.006 1.00 0.00 H new ATOM 0 HB2 PRO A 22 19.955 6.257 16.927 1.00 0.00 H new ATOM 0 HB3 PRO A 22 20.287 7.223 18.351 1.00 0.00 H new ATOM 0 HG2 PRO A 22 17.755 6.626 17.562 1.00 0.00 H new ATOM 0 HG3 PRO A 22 18.143 8.103 18.423 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.703 7.710 15.454 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.123 9.002 16.486 1.00 0.00 H new ATOM 299 N GLN A 23 20.813 6.556 14.892 1.00 0.00 N ATOM 300 CA GLN A 23 21.567 5.878 13.847 1.00 0.00 C ATOM 301 C GLN A 23 20.780 5.804 12.546 1.00 0.00 C ATOM 302 O GLN A 23 21.368 5.772 11.463 1.00 0.00 O ATOM 303 CB GLN A 23 21.980 4.473 14.295 1.00 0.00 C ATOM 304 CG GLN A 23 20.822 3.612 14.765 1.00 0.00 C ATOM 305 CD GLN A 23 21.235 2.189 15.056 1.00 0.00 C ATOM 306 OE1 GLN A 23 21.181 1.325 14.183 1.00 0.00 O ATOM 307 NE2 GLN A 23 21.665 1.939 16.277 1.00 0.00 N ATOM 0 H GLN A 23 20.006 6.039 15.241 1.00 0.00 H new ATOM 0 HA GLN A 23 22.466 6.466 13.664 1.00 0.00 H new ATOM 0 HB2 GLN A 23 22.481 3.971 13.467 1.00 0.00 H new ATOM 0 HB3 GLN A 23 22.707 4.559 15.102 1.00 0.00 H new ATOM 0 HG2 GLN A 23 20.389 4.051 15.664 1.00 0.00 H new ATOM 0 HG3 GLN A 23 20.042 3.611 14.003 1.00 0.00 H new ATOM 0 HE21 GLN A 23 21.693 2.686 16.971 1.00 0.00 H new ATOM 0 HE22 GLN A 23 21.970 0.998 16.528 1.00 0.00 H new ATOM 316 N THR A 24 19.457 5.801 12.649 1.00 0.00 N ATOM 317 CA THR A 24 18.596 5.730 11.476 1.00 0.00 C ATOM 318 C THR A 24 18.490 7.085 10.776 1.00 0.00 C ATOM 319 O THR A 24 17.406 7.523 10.396 1.00 0.00 O ATOM 320 CB THR A 24 17.191 5.225 11.857 1.00 0.00 C ATOM 321 OG1 THR A 24 16.757 5.866 13.065 1.00 0.00 O ATOM 322 CG2 THR A 24 17.189 3.716 12.050 1.00 0.00 C ATOM 0 H THR A 24 18.956 5.847 13.536 1.00 0.00 H new ATOM 0 HA THR A 24 19.051 5.022 10.783 1.00 0.00 H new ATOM 0 HB THR A 24 16.507 5.470 11.045 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.324 6.718 12.846 1.00 0.00 H new ATOM 0 HG21 THR A 24 16.186 3.385 12.318 1.00 0.00 H new ATOM 0 HG22 THR A 24 17.496 3.230 11.124 1.00 0.00 H new ATOM 0 HG23 THR A 24 17.884 3.450 12.847 1.00 0.00 H new ATOM 330 N ARG A 25 19.627 7.749 10.618 1.00 0.00 N ATOM 331 CA ARG A 25 19.677 9.028 9.929 1.00 0.00 C ATOM 332 C ARG A 25 20.170 8.838 8.499 1.00 0.00 C ATOM 333 O ARG A 25 19.969 9.693 7.642 1.00 0.00 O ATOM 334 CB ARG A 25 20.594 10.004 10.676 1.00 0.00 C ATOM 335 CG ARG A 25 22.049 9.563 10.719 1.00 0.00 C ATOM 336 CD ARG A 25 22.931 10.592 11.406 1.00 0.00 C ATOM 337 NE ARG A 25 22.613 10.737 12.826 1.00 0.00 N ATOM 338 CZ ARG A 25 23.454 11.239 13.728 1.00 0.00 C ATOM 339 NH1 ARG A 25 24.653 11.661 13.358 1.00 0.00 N1+ ATOM 340 NH2 ARG A 25 23.086 11.320 14.999 1.00 0.00 N ATOM 0 H ARG A 25 20.530 7.420 10.960 1.00 0.00 H new ATOM 0 HA ARG A 25 18.671 9.446 9.903 1.00 0.00 H new ATOM 0 HB2 ARG A 25 20.534 10.982 10.200 1.00 0.00 H new ATOM 0 HB3 ARG A 25 20.229 10.123 11.696 1.00 0.00 H new ATOM 0 HG2 ARG A 25 22.125 8.611 11.244 1.00 0.00 H new ATOM 0 HG3 ARG A 25 22.408 9.396 9.704 1.00 0.00 H new ATOM 0 HD2 ARG A 25 23.976 10.301 11.298 1.00 0.00 H new ATOM 0 HD3 ARG A 25 22.815 11.556 10.910 1.00 0.00 H new ATOM 0 HE ARG A 25 21.692 10.436 13.144 1.00 0.00 H new ATOM 0 HH11 ARG A 25 24.935 11.602 12.379 1.00 0.00 H new ATOM 0 HH12 ARG A 25 25.295 12.045 14.051 1.00 0.00 H new ATOM 0 HH21 ARG A 25 22.161 10.998 15.284 1.00 0.00 H new ATOM 0 HH22 ARG A 25 23.728 11.704 15.692 1.00 0.00 H new ATOM 354 N LEU A 26 20.817 7.704 8.252 1.00 0.00 N ATOM 355 CA LEU A 26 21.387 7.419 6.940 1.00 0.00 C ATOM 356 C LEU A 26 20.720 6.201 6.327 1.00 0.00 C ATOM 357 O LEU A 26 21.171 5.668 5.313 1.00 0.00 O ATOM 358 CB LEU A 26 22.894 7.177 7.060 1.00 0.00 C ATOM 359 CG LEU A 26 23.700 8.333 7.649 1.00 0.00 C ATOM 360 CD1 LEU A 26 25.153 7.930 7.825 1.00 0.00 C ATOM 361 CD2 LEU A 26 23.593 9.566 6.763 1.00 0.00 C ATOM 0 H LEU A 26 20.960 6.967 8.943 1.00 0.00 H new ATOM 0 HA LEU A 26 21.214 8.280 6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 26 23.055 6.293 7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 26 23.288 6.950 6.069 1.00 0.00 H new ATOM 0 HG LEU A 26 23.287 8.577 8.628 1.00 0.00 H new ATOM 0 HD11 LEU A 26 25.714 8.765 8.246 1.00 0.00 H new ATOM 0 HD12 LEU A 26 25.214 7.075 8.499 1.00 0.00 H new ATOM 0 HD13 LEU A 26 25.576 7.660 6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 26 24.174 10.379 7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 26 23.980 9.335 5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 26 22.549 9.868 6.684 1.00 0.00 H new ATOM 373 N THR A 27 19.636 5.777 6.940 1.00 0.00 N ATOM 374 CA THR A 27 18.961 4.559 6.541 1.00 0.00 C ATOM 375 C THR A 27 17.909 4.822 5.470 1.00 0.00 C ATOM 376 O THR A 27 16.990 5.621 5.676 1.00 0.00 O ATOM 377 CB THR A 27 18.293 3.895 7.754 1.00 0.00 C ATOM 378 OG1 THR A 27 17.543 4.876 8.483 1.00 0.00 O ATOM 379 CG2 THR A 27 19.331 3.260 8.665 1.00 0.00 C ATOM 0 H THR A 27 19.199 6.262 7.724 1.00 0.00 H new ATOM 0 HA THR A 27 19.717 3.893 6.125 1.00 0.00 H new ATOM 0 HB THR A 27 17.625 3.111 7.397 1.00 0.00 H new ATOM 0 HG1 THR A 27 17.170 5.533 7.859 1.00 0.00 H new ATOM 0 HG21 THR A 27 18.833 2.796 9.517 1.00 0.00 H new ATOM 0 HG22 THR A 27 19.885 2.502 8.112 1.00 0.00 H new ATOM 0 HG23 THR A 27 20.020 4.026 9.021 1.00 0.00 H new ATOM 387 N PRO A 28 18.042 4.175 4.305 1.00 0.00 N ATOM 388 CA PRO A 28 17.018 4.212 3.265 1.00 0.00 C ATOM 389 C PRO A 28 15.784 3.451 3.724 1.00 0.00 C ATOM 390 O PRO A 28 15.775 2.219 3.741 1.00 0.00 O ATOM 391 CB PRO A 28 17.669 3.507 2.064 1.00 0.00 C ATOM 392 CG PRO A 28 19.117 3.388 2.405 1.00 0.00 C ATOM 393 CD PRO A 28 19.193 3.358 3.903 1.00 0.00 C ATOM 0 HA PRO A 28 16.695 5.225 3.025 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.224 2.526 1.897 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.528 4.081 1.149 1.00 0.00 H new ATOM 0 HG2 PRO A 28 19.545 2.482 1.975 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.682 4.229 2.003 1.00 0.00 H new ATOM 0 HD2 PRO A 28 19.123 2.342 4.291 1.00 0.00 H new ATOM 0 HD3 PRO A 28 20.132 3.774 4.269 1.00 0.00 H new ATOM 401 N TYR A 29 14.746 4.175 4.111 1.00 0.00 N ATOM 402 CA TYR A 29 13.574 3.540 4.684 1.00 0.00 C ATOM 403 C TYR A 29 12.566 3.190 3.595 1.00 0.00 C ATOM 404 O TYR A 29 11.370 3.454 3.716 1.00 0.00 O ATOM 405 CB TYR A 29 12.935 4.424 5.757 1.00 0.00 C ATOM 406 CG TYR A 29 12.216 3.624 6.822 1.00 0.00 C ATOM 407 CD1 TYR A 29 12.932 2.981 7.825 1.00 0.00 C ATOM 408 CD2 TYR A 29 10.833 3.493 6.817 1.00 0.00 C ATOM 409 CE1 TYR A 29 12.293 2.234 8.794 1.00 0.00 C ATOM 410 CE2 TYR A 29 10.185 2.750 7.786 1.00 0.00 C ATOM 411 CZ TYR A 29 10.919 2.120 8.770 1.00 0.00 C ATOM 412 OH TYR A 29 10.279 1.367 9.727 1.00 0.00 O ATOM 0 H TYR A 29 14.692 5.191 4.039 1.00 0.00 H new ATOM 0 HA TYR A 29 13.893 2.615 5.164 1.00 0.00 H new ATOM 0 HB2 TYR A 29 13.707 5.034 6.226 1.00 0.00 H new ATOM 0 HB3 TYR A 29 12.230 5.109 5.285 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.008 3.067 7.847 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.255 3.979 6.045 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.866 1.742 9.566 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.109 2.663 7.773 1.00 0.00 H new ATOM 0 HH TYR A 29 9.752 0.665 9.292 1.00 0.00 H new ATOM 422 N ALA A 30 13.071 2.620 2.515 1.00 0.00 N ATOM 423 CA ALA A 30 12.220 2.054 1.485 1.00 0.00 C ATOM 424 C ALA A 30 11.951 0.591 1.799 1.00 0.00 C ATOM 425 O ALA A 30 11.099 -0.055 1.189 1.00 0.00 O ATOM 426 CB ALA A 30 12.862 2.202 0.117 1.00 0.00 C ATOM 0 H ALA A 30 14.070 2.537 2.329 1.00 0.00 H new ATOM 0 HA ALA A 30 11.273 2.594 1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.207 1.771 -0.641 1.00 0.00 H new ATOM 0 HB2 ALA A 30 13.020 3.259 -0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 30 13.820 1.682 0.107 1.00 0.00 H new ATOM 432 N GLN A 31 12.694 0.088 2.774 1.00 0.00 N ATOM 433 CA GLN A 31 12.562 -1.285 3.243 1.00 0.00 C ATOM 434 C GLN A 31 11.415 -1.408 4.248 1.00 0.00 C ATOM 435 O GLN A 31 11.614 -1.772 5.407 1.00 0.00 O ATOM 436 CB GLN A 31 13.887 -1.737 3.866 1.00 0.00 C ATOM 437 CG GLN A 31 14.461 -0.733 4.856 1.00 0.00 C ATOM 438 CD GLN A 31 15.864 -1.079 5.305 1.00 0.00 C ATOM 439 OE1 GLN A 31 16.057 -1.778 6.298 1.00 0.00 O ATOM 440 NE2 GLN A 31 16.854 -0.593 4.574 1.00 0.00 N ATOM 0 H GLN A 31 13.410 0.623 3.265 1.00 0.00 H new ATOM 0 HA GLN A 31 12.328 -1.932 2.397 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.736 -2.690 4.373 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.614 -1.910 3.072 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.466 0.257 4.399 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.810 -0.679 5.728 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.650 -0.017 3.757 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.821 -0.794 4.827 1.00 0.00 H new ATOM 449 N ALA A 32 10.215 -1.091 3.791 1.00 0.00 N ATOM 450 CA ALA A 32 9.034 -1.141 4.638 1.00 0.00 C ATOM 451 C ALA A 32 8.566 -2.577 4.834 1.00 0.00 C ATOM 452 O ALA A 32 8.445 -3.339 3.874 1.00 0.00 O ATOM 453 CB ALA A 32 7.919 -0.292 4.042 1.00 0.00 C ATOM 0 H ALA A 32 10.032 -0.795 2.832 1.00 0.00 H new ATOM 0 HA ALA A 32 9.297 -0.735 5.615 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.041 -0.339 4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.254 0.742 3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.663 -0.670 3.052 1.00 0.00 H new ATOM 459 N GLY A 33 8.327 -2.944 6.082 1.00 0.00 N ATOM 460 CA GLY A 33 7.866 -4.285 6.393 1.00 0.00 C ATOM 461 C GLY A 33 7.273 -4.367 7.781 1.00 0.00 C ATOM 462 O GLY A 33 7.179 -5.442 8.376 1.00 0.00 O ATOM 0 H GLY A 33 8.444 -2.335 6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.120 -4.592 5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.699 -4.984 6.312 1.00 0.00 H new ATOM 466 N GLU A 34 6.861 -3.220 8.288 1.00 0.00 N ATOM 467 CA GLU A 34 6.326 -3.112 9.636 1.00 0.00 C ATOM 468 C GLU A 34 4.874 -2.671 9.586 1.00 0.00 C ATOM 469 O GLU A 34 4.033 -3.178 10.327 1.00 0.00 O ATOM 470 CB GLU A 34 7.173 -2.136 10.479 1.00 0.00 C ATOM 471 CG GLU A 34 7.171 -0.685 9.990 1.00 0.00 C ATOM 472 CD GLU A 34 7.677 -0.530 8.568 1.00 0.00 C ATOM 473 OE1 GLU A 34 8.903 -0.412 8.378 1.00 0.00 O1- ATOM 474 OE2 GLU A 34 6.848 -0.569 7.634 1.00 0.00 O ATOM 0 H GLU A 34 6.887 -2.337 7.779 1.00 0.00 H new ATOM 0 HA GLU A 34 6.372 -4.091 10.113 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.809 -2.157 11.506 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.202 -2.495 10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.157 -0.289 10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.790 -0.084 10.656 1.00 0.00 H new ATOM 481 N ASP A 35 4.608 -1.742 8.685 1.00 0.00 N ATOM 482 CA ASP A 35 3.271 -1.197 8.446 1.00 0.00 C ATOM 483 C ASP A 35 2.746 -0.389 9.636 1.00 0.00 C ATOM 484 O ASP A 35 2.890 -0.769 10.801 1.00 0.00 O ATOM 485 CB ASP A 35 2.281 -2.299 8.068 1.00 0.00 C ATOM 486 CG ASP A 35 0.862 -1.783 7.948 1.00 0.00 C ATOM 487 OD1 ASP A 35 0.647 -0.736 7.296 1.00 0.00 O ATOM 488 OD2 ASP A 35 -0.045 -2.427 8.505 1.00 0.00 O1- ATOM 0 H ASP A 35 5.324 -1.334 8.085 1.00 0.00 H new ATOM 0 HA ASP A 35 3.364 -0.511 7.604 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.583 -2.746 7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.316 -3.088 8.819 1.00 0.00 H new ATOM 493 N ASN A 36 2.108 0.720 9.302 1.00 0.00 N ATOM 494 CA ASN A 36 1.604 1.685 10.272 1.00 0.00 C ATOM 495 C ASN A 36 0.972 2.831 9.502 1.00 0.00 C ATOM 496 O ASN A 36 0.040 3.492 9.963 1.00 0.00 O ATOM 497 CB ASN A 36 2.739 2.224 11.156 1.00 0.00 C ATOM 498 CG ASN A 36 2.246 3.147 12.261 1.00 0.00 C ATOM 499 OD1 ASN A 36 2.098 4.355 12.062 1.00 0.00 O ATOM 500 ND2 ASN A 36 2.015 2.590 13.441 1.00 0.00 N ATOM 0 H ASN A 36 1.921 0.982 8.334 1.00 0.00 H new ATOM 0 HA ASN A 36 0.876 1.201 10.923 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.274 1.386 11.602 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.453 2.762 10.533 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.703 3.165 14.224 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.149 1.587 13.566 1.00 0.00 H new ATOM 507 N TRP A 37 1.487 3.026 8.296 1.00 0.00 N ATOM 508 CA TRP A 37 1.054 4.095 7.415 1.00 0.00 C ATOM 509 C TRP A 37 -0.305 3.803 6.781 1.00 0.00 C ATOM 510 O TRP A 37 -0.891 4.679 6.148 1.00 0.00 O ATOM 511 CB TRP A 37 2.115 4.356 6.334 1.00 0.00 C ATOM 512 CG TRP A 37 2.871 3.128 5.907 1.00 0.00 C ATOM 513 CD1 TRP A 37 3.922 2.544 6.561 1.00 0.00 C ATOM 514 CD2 TRP A 37 2.652 2.348 4.725 1.00 0.00 C ATOM 515 NE1 TRP A 37 4.353 1.439 5.872 1.00 0.00 N ATOM 516 CE2 TRP A 37 3.596 1.301 4.736 1.00 0.00 C ATOM 517 CE3 TRP A 37 1.747 2.428 3.661 1.00 0.00 C ATOM 518 CZ2 TRP A 37 3.658 0.344 3.726 1.00 0.00 C ATOM 519 CZ3 TRP A 37 1.815 1.480 2.656 1.00 0.00 C ATOM 520 CH2 TRP A 37 2.763 0.449 2.696 1.00 0.00 C ATOM 0 H TRP A 37 2.223 2.441 7.901 1.00 0.00 H new ATOM 0 HA TRP A 37 0.937 4.993 8.021 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.629 4.792 5.461 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.824 5.095 6.707 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.350 2.902 7.486 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.112 0.821 6.158 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.009 3.216 3.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.387 -0.453 3.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.126 1.535 1.826 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.788 -0.278 1.898 1.00 0.00 H new ATOM 531 N ARG A 38 -0.820 2.588 6.967 1.00 0.00 N ATOM 532 CA ARG A 38 -2.145 2.248 6.453 1.00 0.00 C ATOM 533 C ARG A 38 -3.200 3.107 7.134 1.00 0.00 C ATOM 534 O ARG A 38 -4.146 3.575 6.503 1.00 0.00 O ATOM 535 CB ARG A 38 -2.497 0.772 6.675 1.00 0.00 C ATOM 536 CG ARG A 38 -2.734 0.411 8.136 1.00 0.00 C ATOM 537 CD ARG A 38 -3.479 -0.902 8.290 1.00 0.00 C ATOM 538 NE ARG A 38 -2.597 -2.054 8.145 1.00 0.00 N ATOM 539 CZ ARG A 38 -3.009 -3.318 8.100 1.00 0.00 C ATOM 540 NH1 ARG A 38 -4.305 -3.611 8.110 1.00 0.00 N1+ ATOM 541 NH2 ARG A 38 -2.112 -4.290 8.034 1.00 0.00 N ATOM 0 H ARG A 38 -0.347 1.832 7.463 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.127 2.436 5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.392 0.531 6.101 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.690 0.153 6.283 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.776 0.346 8.652 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.302 1.207 8.617 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.958 -0.934 9.269 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.272 -0.958 7.545 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.595 -1.879 8.073 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.997 -2.863 8.153 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.608 -4.584 8.075 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.117 -4.066 8.018 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.416 -5.263 7.999 1.00 0.00 H new ATOM 555 N SER A 39 -3.019 3.313 8.433 1.00 0.00 N ATOM 556 CA SER A 39 -3.951 4.079 9.232 1.00 0.00 C ATOM 557 C SER A 39 -3.913 5.538 8.802 1.00 0.00 C ATOM 558 O SER A 39 -4.917 6.247 8.866 1.00 0.00 O ATOM 559 CB SER A 39 -3.588 3.933 10.708 1.00 0.00 C ATOM 560 OG SER A 39 -3.266 2.581 11.011 1.00 0.00 O ATOM 0 H SER A 39 -2.221 2.952 8.956 1.00 0.00 H new ATOM 0 HA SER A 39 -4.964 3.706 9.085 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.741 4.577 10.946 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.422 4.262 11.328 1.00 0.00 H new ATOM 0 HG SER A 39 -3.034 2.505 11.960 1.00 0.00 H new ATOM 566 N ARG A 40 -2.744 5.966 8.336 1.00 0.00 N ATOM 567 CA ARG A 40 -2.566 7.298 7.824 1.00 0.00 C ATOM 568 C ARG A 40 -3.276 7.420 6.481 1.00 0.00 C ATOM 569 O ARG A 40 -3.951 8.411 6.205 1.00 0.00 O ATOM 570 CB ARG A 40 -1.075 7.589 7.657 1.00 0.00 C ATOM 571 CG ARG A 40 -0.184 7.001 8.747 1.00 0.00 C ATOM 572 CD ARG A 40 -0.574 7.484 10.134 1.00 0.00 C ATOM 573 NE ARG A 40 0.244 6.861 11.174 1.00 0.00 N ATOM 574 CZ ARG A 40 0.227 7.225 12.454 1.00 0.00 C ATOM 575 NH1 ARG A 40 -0.617 8.164 12.867 1.00 0.00 N1+ ATOM 576 NH2 ARG A 40 1.039 6.628 13.318 1.00 0.00 N ATOM 0 H ARG A 40 -1.902 5.392 8.308 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.991 8.019 8.522 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.749 7.201 6.692 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.930 8.669 7.632 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.243 5.913 8.714 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.854 7.270 8.549 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.465 8.567 10.186 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.625 7.260 10.315 1.00 0.00 H new ATOM 0 HE ARG A 40 0.866 6.100 10.901 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.252 8.606 12.203 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.630 8.443 13.848 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.672 5.894 13.000 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.030 6.903 14.300 1.00 0.00 H new ATOM 590 N ILE A 41 -3.113 6.394 5.649 1.00 0.00 N ATOM 591 CA ILE A 41 -3.794 6.327 4.360 1.00 0.00 C ATOM 592 C ILE A 41 -5.302 6.352 4.560 1.00 0.00 C ATOM 593 O ILE A 41 -6.005 7.123 3.916 1.00 0.00 O ATOM 594 CB ILE A 41 -3.416 5.046 3.578 1.00 0.00 C ATOM 595 CG1 ILE A 41 -1.938 5.083 3.181 1.00 0.00 C ATOM 596 CG2 ILE A 41 -4.300 4.872 2.345 1.00 0.00 C ATOM 597 CD1 ILE A 41 -1.458 3.833 2.476 1.00 0.00 C ATOM 0 H ILE A 41 -2.512 5.594 5.847 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.476 7.195 3.782 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.581 4.189 4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.768 5.942 2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.336 5.237 4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.011 3.964 1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.343 4.797 2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.178 5.731 1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.402 3.938 2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.593 2.972 3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.033 3.688 1.561 1.00 0.00 H new ATOM 609 N SER A 42 -5.787 5.503 5.464 1.00 0.00 N ATOM 610 CA SER A 42 -7.211 5.446 5.780 1.00 0.00 C ATOM 611 C SER A 42 -7.717 6.818 6.239 1.00 0.00 C ATOM 612 O SER A 42 -8.880 7.166 6.025 1.00 0.00 O ATOM 613 CB SER A 42 -7.469 4.386 6.859 1.00 0.00 C ATOM 614 OG SER A 42 -8.859 4.160 7.037 1.00 0.00 O ATOM 0 H SER A 42 -5.213 4.845 5.991 1.00 0.00 H new ATOM 0 HA SER A 42 -7.758 5.167 4.879 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.979 3.453 6.580 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.027 4.708 7.802 1.00 0.00 H new ATOM 0 HG SER A 42 -8.994 3.479 7.729 1.00 0.00 H new ATOM 620 N GLY A 43 -6.835 7.597 6.863 1.00 0.00 N ATOM 621 CA GLY A 43 -7.185 8.947 7.259 1.00 0.00 C ATOM 622 C GLY A 43 -7.380 9.860 6.061 1.00 0.00 C ATOM 623 O GLY A 43 -8.342 10.625 5.998 1.00 0.00 O ATOM 0 H GLY A 43 -5.884 7.315 7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.100 8.925 7.851 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.401 9.352 7.899 1.00 0.00 H new ATOM 627 N ARG A 44 -6.466 9.779 5.101 1.00 0.00 N ATOM 628 CA ARG A 44 -6.561 10.561 3.885 1.00 0.00 C ATOM 629 C ARG A 44 -7.717 10.062 3.023 1.00 0.00 C ATOM 630 O ARG A 44 -8.380 10.839 2.346 1.00 0.00 O ATOM 631 CB ARG A 44 -5.252 10.488 3.104 1.00 0.00 C ATOM 632 CG ARG A 44 -4.185 11.484 3.544 1.00 0.00 C ATOM 633 CD ARG A 44 -3.691 11.214 4.955 1.00 0.00 C ATOM 634 NE ARG A 44 -2.549 12.064 5.300 1.00 0.00 N ATOM 635 CZ ARG A 44 -2.296 12.530 6.525 1.00 0.00 C ATOM 636 NH1 ARG A 44 -3.169 12.348 7.506 1.00 0.00 N1+ ATOM 637 NH2 ARG A 44 -1.186 13.220 6.757 1.00 0.00 N ATOM 0 H ARG A 44 -5.647 9.173 5.147 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.749 11.600 4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.847 9.480 3.195 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.467 10.651 2.048 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.344 11.441 2.852 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.590 12.494 3.490 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.501 11.387 5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.406 10.166 5.047 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.903 12.317 4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.041 11.849 7.327 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.969 12.707 8.440 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.526 13.394 5.999 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.993 13.576 7.693 1.00 0.00 H new ATOM 651 N LEU A 45 -7.947 8.756 3.059 1.00 0.00 N ATOM 652 CA LEU A 45 -9.077 8.140 2.369 1.00 0.00 C ATOM 653 C LEU A 45 -10.376 8.739 2.905 1.00 0.00 C ATOM 654 O LEU A 45 -11.353 8.916 2.182 1.00 0.00 O ATOM 655 CB LEU A 45 -9.038 6.624 2.611 1.00 0.00 C ATOM 656 CG LEU A 45 -9.633 5.744 1.508 1.00 0.00 C ATOM 657 CD1 LEU A 45 -9.169 4.308 1.682 1.00 0.00 C ATOM 658 CD2 LEU A 45 -11.151 5.802 1.510 1.00 0.00 C ATOM 0 H LEU A 45 -7.359 8.094 3.565 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.021 8.329 1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.000 6.328 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.567 6.412 3.540 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.283 6.125 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.597 3.689 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.081 4.268 1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.495 3.935 2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.540 5.166 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.527 5.452 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.476 6.829 1.345 1.00 0.00 H new ATOM 670 N ASN A 46 -10.337 9.089 4.179 1.00 0.00 N ATOM 671 CA ASN A 46 -11.469 9.677 4.883 1.00 0.00 C ATOM 672 C ASN A 46 -11.708 11.094 4.397 1.00 0.00 C ATOM 673 O ASN A 46 -12.844 11.512 4.176 1.00 0.00 O ATOM 674 CB ASN A 46 -11.199 9.677 6.392 1.00 0.00 C ATOM 675 CG ASN A 46 -12.278 10.379 7.196 1.00 0.00 C ATOM 676 OD1 ASN A 46 -13.456 10.355 6.846 1.00 0.00 O ATOM 677 ND2 ASN A 46 -11.877 11.009 8.288 1.00 0.00 N ATOM 0 H ASN A 46 -9.509 8.972 4.763 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.360 9.083 4.680 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.110 8.647 6.738 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.241 10.161 6.582 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.555 11.498 8.873 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.890 11.006 8.545 1.00 0.00 H new ATOM 684 N ARG A 47 -10.614 11.821 4.226 1.00 0.00 N ATOM 685 CA ARG A 47 -10.641 13.173 3.729 1.00 0.00 C ATOM 686 C ARG A 47 -11.231 13.235 2.322 1.00 0.00 C ATOM 687 O ARG A 47 -11.641 14.302 1.858 1.00 0.00 O ATOM 688 CB ARG A 47 -9.216 13.713 3.759 1.00 0.00 C ATOM 689 CG ARG A 47 -8.533 13.815 2.405 1.00 0.00 C ATOM 690 CD ARG A 47 -7.076 14.208 2.576 1.00 0.00 C ATOM 691 NE ARG A 47 -6.368 14.309 1.303 1.00 0.00 N ATOM 692 CZ ARG A 47 -5.060 14.544 1.203 1.00 0.00 C ATOM 693 NH1 ARG A 47 -4.323 14.689 2.296 1.00 0.00 N1+ ATOM 694 NH2 ARG A 47 -4.492 14.639 0.010 1.00 0.00 N ATOM 0 H ARG A 47 -9.676 11.478 4.433 1.00 0.00 H new ATOM 0 HA ARG A 47 -11.283 13.788 4.359 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.229 14.702 4.217 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.615 13.072 4.404 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.600 12.860 1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.045 14.552 1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.020 15.165 3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.577 13.473 3.208 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.904 14.193 0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.757 14.621 3.217 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.322 14.869 2.216 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.056 14.532 -0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.491 14.819 -0.065 1.00 0.00 H new ATOM 708 N PHE A 48 -11.265 12.098 1.636 1.00 0.00 N ATOM 709 CA PHE A 48 -11.892 12.048 0.331 1.00 0.00 C ATOM 710 C PHE A 48 -13.293 11.451 0.416 1.00 0.00 C ATOM 711 O PHE A 48 -14.276 12.110 0.077 1.00 0.00 O ATOM 712 CB PHE A 48 -11.049 11.247 -0.662 1.00 0.00 C ATOM 713 CG PHE A 48 -9.781 11.931 -1.098 1.00 0.00 C ATOM 714 CD1 PHE A 48 -9.826 13.002 -1.977 1.00 0.00 C ATOM 715 CD2 PHE A 48 -8.549 11.492 -0.645 1.00 0.00 C ATOM 716 CE1 PHE A 48 -8.663 13.625 -2.392 1.00 0.00 C ATOM 717 CE2 PHE A 48 -7.383 12.112 -1.053 1.00 0.00 C ATOM 718 CZ PHE A 48 -7.440 13.180 -1.928 1.00 0.00 C ATOM 0 H PHE A 48 -10.871 11.214 1.959 1.00 0.00 H new ATOM 0 HA PHE A 48 -11.968 13.075 -0.027 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.793 10.288 -0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.654 11.034 -1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.780 13.354 -2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.498 10.655 0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.711 14.458 -3.078 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.429 11.762 -0.688 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.530 13.666 -2.249 1.00 0.00 H new ATOM 728 N LYS A 49 -13.378 10.223 0.914 1.00 0.00 N ATOM 729 CA LYS A 49 -14.646 9.510 1.054 1.00 0.00 C ATOM 730 C LYS A 49 -14.493 8.346 2.019 1.00 0.00 C ATOM 731 O LYS A 49 -13.945 7.304 1.662 1.00 0.00 O ATOM 732 CB LYS A 49 -15.137 8.951 -0.292 1.00 0.00 C ATOM 733 CG LYS A 49 -15.972 9.915 -1.120 1.00 0.00 C ATOM 734 CD LYS A 49 -16.432 9.267 -2.419 1.00 0.00 C ATOM 735 CE LYS A 49 -17.499 10.093 -3.123 1.00 0.00 C ATOM 736 NZ LYS A 49 -17.003 11.434 -3.529 1.00 0.00 N1+ ATOM 0 H LYS A 49 -12.569 9.691 1.233 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.373 10.229 1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.271 8.646 -0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.726 8.053 -0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.839 10.237 -0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -15.388 10.808 -1.343 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.577 9.139 -3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.824 8.272 -2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.847 9.555 -4.005 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.358 10.211 -2.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.761 11.951 -4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.711 11.966 -2.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.190 11.325 -4.168 1.00 0.00 H new ATOM 750 N ARG A 50 -14.977 8.507 3.236 1.00 0.00 N ATOM 751 CA ARG A 50 -14.953 7.415 4.190 1.00 0.00 C ATOM 752 C ARG A 50 -16.303 7.308 4.877 1.00 0.00 C ATOM 753 O ARG A 50 -16.632 8.099 5.762 1.00 0.00 O ATOM 754 CB ARG A 50 -13.858 7.628 5.228 1.00 0.00 C ATOM 755 CG ARG A 50 -13.320 6.345 5.838 1.00 0.00 C ATOM 756 CD ARG A 50 -12.332 5.648 4.915 1.00 0.00 C ATOM 757 NE ARG A 50 -11.697 4.508 5.577 1.00 0.00 N ATOM 758 CZ ARG A 50 -11.477 3.324 5.003 1.00 0.00 C ATOM 759 NH1 ARG A 50 -11.802 3.120 3.733 1.00 0.00 N1+ ATOM 760 NH2 ARG A 50 -10.914 2.349 5.700 1.00 0.00 N ATOM 0 H ARG A 50 -15.387 9.373 3.585 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.743 6.489 3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.034 8.170 4.764 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.247 8.261 6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.833 6.571 6.787 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.149 5.672 6.057 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.848 5.308 4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.568 6.357 4.595 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.402 4.627 6.546 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -12.224 3.872 3.187 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.630 2.212 3.302 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.650 2.504 6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.744 1.443 5.264 1.00 0.00 H new ATOM 774 N TYR A 51 -17.078 6.330 4.453 1.00 0.00 N ATOM 775 CA TYR A 51 -18.398 6.094 5.009 1.00 0.00 C ATOM 776 C TYR A 51 -18.280 5.151 6.196 1.00 0.00 C ATOM 777 O TYR A 51 -17.513 4.198 6.136 1.00 0.00 O ATOM 778 CB TYR A 51 -19.288 5.478 3.931 1.00 0.00 C ATOM 779 CG TYR A 51 -20.727 5.944 3.984 1.00 0.00 C ATOM 780 CD1 TYR A 51 -21.057 7.257 3.669 1.00 0.00 C ATOM 781 CD2 TYR A 51 -21.750 5.082 4.349 1.00 0.00 C ATOM 782 CE1 TYR A 51 -22.366 7.695 3.713 1.00 0.00 C ATOM 783 CE2 TYR A 51 -23.063 5.513 4.393 1.00 0.00 C ATOM 784 CZ TYR A 51 -23.366 6.820 4.076 1.00 0.00 C ATOM 785 OH TYR A 51 -24.675 7.253 4.119 1.00 0.00 O ATOM 0 H TYR A 51 -16.813 5.677 3.715 1.00 0.00 H new ATOM 0 HA TYR A 51 -18.839 7.033 5.345 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -18.874 5.718 2.951 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.264 4.393 4.030 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -20.276 7.947 3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -21.518 4.058 4.603 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -22.604 8.719 3.464 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -23.849 4.828 4.675 1.00 0.00 H new ATOM 0 HH TYR A 51 -25.256 6.512 4.392 1.00 0.00 H new ATOM 795 N PRO A 52 -19.012 5.414 7.295 1.00 0.00 N ATOM 796 CA PRO A 52 -18.970 4.573 8.500 1.00 0.00 C ATOM 797 C PRO A 52 -19.219 3.105 8.180 1.00 0.00 C ATOM 798 O PRO A 52 -20.187 2.771 7.494 1.00 0.00 O ATOM 799 CB PRO A 52 -20.109 5.128 9.356 1.00 0.00 C ATOM 800 CG PRO A 52 -20.248 6.542 8.922 1.00 0.00 C ATOM 801 CD PRO A 52 -19.931 6.552 7.453 1.00 0.00 C ATOM 0 HA PRO A 52 -17.996 4.603 8.989 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -21.033 4.572 9.196 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.876 5.060 10.419 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.257 6.910 9.107 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -19.566 7.189 9.474 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -20.829 6.430 6.847 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -19.466 7.490 7.149 1.00 0.00 H new ATOM 809 N LYS A 53 -18.358 2.233 8.711 1.00 0.00 N ATOM 810 CA LYS A 53 -18.387 0.809 8.381 1.00 0.00 C ATOM 811 C LYS A 53 -19.715 0.184 8.777 1.00 0.00 C ATOM 812 O LYS A 53 -20.127 -0.814 8.196 1.00 0.00 O ATOM 813 CB LYS A 53 -17.244 0.046 9.069 1.00 0.00 C ATOM 814 CG LYS A 53 -15.832 0.529 8.738 1.00 0.00 C ATOM 815 CD LYS A 53 -15.520 0.490 7.245 1.00 0.00 C ATOM 816 CE LYS A 53 -15.967 1.767 6.554 1.00 0.00 C ATOM 817 NZ LYS A 53 -15.369 2.968 7.201 1.00 0.00 N1+ ATOM 0 H LYS A 53 -17.629 2.492 9.375 1.00 0.00 H new ATOM 0 HA LYS A 53 -18.260 0.732 7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -17.387 0.110 10.148 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.321 -1.007 8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.709 1.549 9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.109 -0.089 9.270 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.449 0.351 7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.018 -0.366 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.678 1.735 5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -17.054 1.838 6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.477 3.790 6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.853 3.154 8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.358 2.799 7.380 1.00 0.00 H new ATOM 831 N ASP A 54 -20.377 0.780 9.764 1.00 0.00 N ATOM 832 CA ASP A 54 -21.699 0.322 10.192 1.00 0.00 C ATOM 833 C ASP A 54 -22.660 0.262 9.015 1.00 0.00 C ATOM 834 O ASP A 54 -23.434 -0.682 8.880 1.00 0.00 O ATOM 835 CB ASP A 54 -22.272 1.245 11.269 1.00 0.00 C ATOM 836 CG ASP A 54 -21.718 0.957 12.648 1.00 0.00 C ATOM 837 OD1 ASP A 54 -20.652 1.503 12.996 1.00 0.00 O1- ATOM 838 OD2 ASP A 54 -22.354 0.183 13.393 1.00 0.00 O ATOM 0 H ASP A 54 -20.021 1.582 10.284 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.581 -0.679 10.606 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -22.056 2.280 11.005 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.357 1.141 11.290 1.00 0.00 H new ATOM 843 N ALA A 55 -22.588 1.267 8.154 1.00 0.00 N ATOM 844 CA ALA A 55 -23.437 1.323 6.975 1.00 0.00 C ATOM 845 C ALA A 55 -23.030 0.259 5.967 1.00 0.00 C ATOM 846 O ALA A 55 -23.877 -0.368 5.338 1.00 0.00 O ATOM 847 CB ALA A 55 -23.383 2.705 6.349 1.00 0.00 C ATOM 0 H ALA A 55 -21.949 2.056 8.251 1.00 0.00 H new ATOM 0 HA ALA A 55 -24.464 1.123 7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -24.024 2.730 5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -23.729 3.445 7.071 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -22.357 2.933 6.059 1.00 0.00 H new ATOM 853 N LEU A 56 -21.727 0.048 5.836 1.00 0.00 N ATOM 854 CA LEU A 56 -21.196 -0.944 4.908 1.00 0.00 C ATOM 855 C LEU A 56 -21.583 -2.352 5.350 1.00 0.00 C ATOM 856 O LEU A 56 -21.915 -3.204 4.528 1.00 0.00 O ATOM 857 CB LEU A 56 -19.667 -0.830 4.802 1.00 0.00 C ATOM 858 CG LEU A 56 -19.127 0.394 4.048 1.00 0.00 C ATOM 859 CD1 LEU A 56 -19.760 0.510 2.675 1.00 0.00 C ATOM 860 CD2 LEU A 56 -19.346 1.672 4.836 1.00 0.00 C ATOM 0 H LEU A 56 -21.015 0.553 6.363 1.00 0.00 H new ATOM 0 HA LEU A 56 -21.628 -0.751 3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -19.254 -0.820 5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -19.290 -1.728 4.312 1.00 0.00 H new ATOM 0 HG LEU A 56 -18.053 0.251 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -19.360 1.385 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -19.536 -0.385 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -20.840 0.613 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.952 2.518 4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -20.413 1.815 5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -18.831 1.602 5.794 1.00 0.00 H new ATOM 872 N ARG A 57 -21.558 -2.586 6.654 1.00 0.00 N ATOM 873 CA ARG A 57 -21.963 -3.872 7.214 1.00 0.00 C ATOM 874 C ARG A 57 -23.454 -4.134 6.989 1.00 0.00 C ATOM 875 O ARG A 57 -23.928 -5.260 7.151 1.00 0.00 O ATOM 876 CB ARG A 57 -21.641 -3.921 8.708 1.00 0.00 C ATOM 877 CG ARG A 57 -20.164 -3.736 9.008 1.00 0.00 C ATOM 878 CD ARG A 57 -19.889 -3.715 10.501 1.00 0.00 C ATOM 879 NE ARG A 57 -18.485 -3.417 10.785 1.00 0.00 N ATOM 880 CZ ARG A 57 -18.079 -2.583 11.741 1.00 0.00 C ATOM 881 NH1 ARG A 57 -18.966 -1.953 12.503 1.00 0.00 N1+ ATOM 882 NH2 ARG A 57 -16.783 -2.376 11.931 1.00 0.00 N ATOM 0 H ARG A 57 -21.261 -1.901 7.348 1.00 0.00 H new ATOM 0 HA ARG A 57 -21.403 -4.653 6.700 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -22.209 -3.145 9.221 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -21.970 -4.878 9.113 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -19.596 -4.543 8.545 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -19.817 -2.804 8.561 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -20.524 -2.968 10.978 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -20.152 -4.680 10.934 1.00 0.00 H new ATOM 0 HE ARG A 57 -17.774 -3.876 10.216 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -19.964 -2.107 12.358 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.649 -1.316 13.234 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -16.099 -2.855 11.346 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.470 -1.738 12.663 1.00 0.00 H new ATOM 896 N LEU A 58 -24.184 -3.092 6.610 1.00 0.00 N ATOM 897 CA LEU A 58 -25.603 -3.215 6.309 1.00 0.00 C ATOM 898 C LEU A 58 -25.859 -3.023 4.816 1.00 0.00 C ATOM 899 O LEU A 58 -27.005 -3.059 4.366 1.00 0.00 O ATOM 900 CB LEU A 58 -26.402 -2.174 7.097 1.00 0.00 C ATOM 901 CG LEU A 58 -26.216 -2.214 8.614 1.00 0.00 C ATOM 902 CD1 LEU A 58 -26.998 -1.086 9.268 1.00 0.00 C ATOM 903 CD2 LEU A 58 -26.654 -3.560 9.171 1.00 0.00 C ATOM 0 H LEU A 58 -23.813 -2.148 6.504 1.00 0.00 H new ATOM 0 HA LEU A 58 -25.924 -4.216 6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -26.125 -1.182 6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -27.460 -2.309 6.874 1.00 0.00 H new ATOM 0 HG LEU A 58 -25.158 -2.080 8.838 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -26.858 -1.125 10.348 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -26.640 -0.128 8.890 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -28.057 -1.195 9.035 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -26.514 -3.569 10.252 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -27.706 -3.724 8.940 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -26.056 -4.352 8.721 1.00 0.00 H new ATOM 915 N LYS A 59 -24.792 -2.827 4.049 1.00 0.00 N ATOM 916 CA LYS A 59 -24.931 -2.499 2.636 1.00 0.00 C ATOM 917 C LYS A 59 -23.921 -3.261 1.782 1.00 0.00 C ATOM 918 O LYS A 59 -24.277 -4.216 1.095 1.00 0.00 O ATOM 919 CB LYS A 59 -24.766 -0.989 2.428 1.00 0.00 C ATOM 920 CG LYS A 59 -25.059 -0.526 1.012 1.00 0.00 C ATOM 921 CD LYS A 59 -24.659 0.928 0.801 1.00 0.00 C ATOM 922 CE LYS A 59 -25.287 1.860 1.832 1.00 0.00 C ATOM 923 NZ LYS A 59 -26.776 1.843 1.788 1.00 0.00 N1+ ATOM 0 H LYS A 59 -23.829 -2.889 4.379 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.930 -2.800 2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -25.428 -0.463 3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -23.746 -0.706 2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -24.522 -1.158 0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -26.122 -0.645 0.803 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.574 1.014 0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -24.958 1.243 -0.199 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.953 1.571 2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -24.934 2.877 1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -27.152 2.493 2.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -27.099 2.145 0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -27.118 0.880 1.979 1.00 0.00 H new ATOM 937 N ARG A 60 -22.660 -2.849 1.831 1.00 0.00 N ATOM 938 CA ARG A 60 -21.629 -3.444 0.998 1.00 0.00 C ATOM 939 C ARG A 60 -20.462 -3.903 1.851 1.00 0.00 C ATOM 940 O ARG A 60 -19.687 -3.090 2.352 1.00 0.00 O ATOM 941 CB ARG A 60 -21.134 -2.448 -0.054 1.00 0.00 C ATOM 942 CG ARG A 60 -22.225 -1.921 -0.966 1.00 0.00 C ATOM 943 CD ARG A 60 -22.935 -3.043 -1.703 1.00 0.00 C ATOM 944 NE ARG A 60 -24.004 -2.533 -2.557 1.00 0.00 N ATOM 945 CZ ARG A 60 -25.286 -2.878 -2.444 1.00 0.00 C ATOM 946 NH1 ARG A 60 -25.671 -3.741 -1.512 1.00 0.00 N1+ ATOM 947 NH2 ARG A 60 -26.189 -2.353 -3.262 1.00 0.00 N ATOM 0 H ARG A 60 -22.329 -2.102 2.442 1.00 0.00 H new ATOM 0 HA ARG A 60 -22.064 -4.304 0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -20.660 -1.607 0.452 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -20.367 -2.928 -0.662 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -22.949 -1.357 -0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -21.792 -1.229 -1.688 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -22.215 -3.593 -2.309 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -23.349 -3.748 -0.982 1.00 0.00 H new ATOM 0 HE ARG A 60 -23.753 -1.868 -3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -24.984 -4.145 -0.876 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -26.654 -4.000 -1.432 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -25.902 -1.685 -3.978 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -27.170 -2.617 -3.175 1.00 0.00 H new ATOM 961 N GLN A 61 -20.354 -5.204 2.020 1.00 0.00 N ATOM 962 CA GLN A 61 -19.271 -5.790 2.782 1.00 0.00 C ATOM 963 C GLN A 61 -18.441 -6.680 1.883 1.00 0.00 C ATOM 964 O GLN A 61 -18.923 -7.142 0.856 1.00 0.00 O ATOM 965 CB GLN A 61 -19.829 -6.590 3.955 1.00 0.00 C ATOM 966 CG GLN A 61 -20.852 -7.641 3.548 1.00 0.00 C ATOM 967 CD GLN A 61 -21.987 -7.755 4.547 1.00 0.00 C ATOM 968 OE1 GLN A 61 -22.552 -8.830 4.746 1.00 0.00 O ATOM 969 NE2 GLN A 61 -22.344 -6.639 5.162 1.00 0.00 N ATOM 0 H GLN A 61 -21.011 -5.883 1.635 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.637 -4.996 3.176 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -19.005 -7.080 4.474 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -20.290 -5.903 4.665 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -21.257 -7.390 2.568 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.358 -8.608 3.451 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -21.849 -5.769 4.968 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -23.115 -6.649 5.830 1.00 0.00 H new ATOM 978 N GLY A 62 -17.207 -6.932 2.266 1.00 0.00 N ATOM 979 CA GLY A 62 -16.345 -7.717 1.426 1.00 0.00 C ATOM 980 C GLY A 62 -14.884 -7.412 1.620 1.00 0.00 C ATOM 981 O GLY A 62 -14.505 -6.267 1.858 1.00 0.00 O ATOM 0 H GLY A 62 -16.789 -6.609 3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.518 -8.774 1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.610 -7.544 0.383 1.00 0.00 H new ATOM 985 N VAL A 63 -14.062 -8.442 1.521 1.00 0.00 N ATOM 986 CA VAL A 63 -12.629 -8.266 1.595 1.00 0.00 C ATOM 987 C VAL A 63 -12.015 -8.374 0.205 1.00 0.00 C ATOM 988 O VAL A 63 -12.185 -9.376 -0.497 1.00 0.00 O ATOM 989 CB VAL A 63 -11.975 -9.301 2.549 1.00 0.00 C ATOM 990 CG1 VAL A 63 -12.423 -10.717 2.217 1.00 0.00 C ATOM 991 CG2 VAL A 63 -10.454 -9.195 2.508 1.00 0.00 C ATOM 0 H VAL A 63 -14.366 -9.407 1.389 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.436 -7.272 1.999 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.307 -9.072 3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.948 -11.419 2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.506 -10.789 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.136 -10.959 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.020 -9.931 3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.103 -9.384 1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.151 -8.195 2.816 1.00 0.00 H new ATOM 1001 N GLY A 64 -11.316 -7.329 -0.190 1.00 0.00 N ATOM 1002 CA GLY A 64 -10.606 -7.341 -1.442 1.00 0.00 C ATOM 1003 C GLY A 64 -9.251 -6.722 -1.277 1.00 0.00 C ATOM 1004 O GLY A 64 -9.061 -5.879 -0.415 1.00 0.00 O ATOM 0 H GLY A 64 -11.228 -6.463 0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.504 -8.365 -1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.174 -6.795 -2.195 1.00 0.00 H new ATOM 1008 N GLN A 65 -8.301 -7.137 -2.071 1.00 0.00 N ATOM 1009 CA GLN A 65 -6.968 -6.595 -1.963 1.00 0.00 C ATOM 1010 C GLN A 65 -6.741 -5.653 -3.131 1.00 0.00 C ATOM 1011 O GLN A 65 -7.113 -5.968 -4.253 1.00 0.00 O ATOM 1012 CB GLN A 65 -5.951 -7.736 -1.952 1.00 0.00 C ATOM 1013 CG GLN A 65 -4.633 -7.392 -1.291 1.00 0.00 C ATOM 1014 CD GLN A 65 -3.741 -8.608 -1.134 1.00 0.00 C ATOM 1015 OE1 GLN A 65 -2.933 -8.922 -2.007 1.00 0.00 O ATOM 1016 NE2 GLN A 65 -3.888 -9.309 -0.020 1.00 0.00 N ATOM 0 H GLN A 65 -8.421 -7.844 -2.796 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.847 -6.038 -1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.389 -8.592 -1.438 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.759 -8.045 -2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.116 -6.638 -1.884 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.823 -6.953 -0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.569 -9.016 0.681 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.320 -10.142 0.137 1.00 0.00 H new ATOM 1025 N VAL A 66 -6.172 -4.493 -2.880 1.00 0.00 N ATOM 1026 CA VAL A 66 -5.978 -3.517 -3.940 1.00 0.00 C ATOM 1027 C VAL A 66 -4.520 -3.076 -4.009 1.00 0.00 C ATOM 1028 O VAL A 66 -3.898 -2.783 -2.990 1.00 0.00 O ATOM 1029 CB VAL A 66 -6.892 -2.284 -3.746 1.00 0.00 C ATOM 1030 CG1 VAL A 66 -8.358 -2.671 -3.757 1.00 0.00 C ATOM 1031 CG2 VAL A 66 -6.586 -1.587 -2.451 1.00 0.00 C ATOM 0 H VAL A 66 -5.837 -4.201 -1.962 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.247 -3.999 -4.880 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.695 -1.611 -4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.971 -1.780 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.604 -3.136 -4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.554 -3.376 -2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.242 -0.724 -2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.746 -2.275 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.548 -1.256 -2.453 1.00 0.00 H new ATOM 1041 N ARG A 67 -3.959 -3.080 -5.204 1.00 0.00 N ATOM 1042 CA ARG A 67 -2.612 -2.580 -5.393 1.00 0.00 C ATOM 1043 C ARG A 67 -2.674 -1.347 -6.278 1.00 0.00 C ATOM 1044 O ARG A 67 -3.471 -1.291 -7.223 1.00 0.00 O ATOM 1045 CB ARG A 67 -1.679 -3.647 -5.994 1.00 0.00 C ATOM 1046 CG ARG A 67 -1.683 -3.711 -7.512 1.00 0.00 C ATOM 1047 CD ARG A 67 -0.371 -4.266 -8.040 1.00 0.00 C ATOM 1048 NE ARG A 67 -0.203 -5.685 -7.735 1.00 0.00 N ATOM 1049 CZ ARG A 67 0.966 -6.254 -7.434 1.00 0.00 C ATOM 1050 NH1 ARG A 67 2.085 -5.535 -7.434 1.00 0.00 N1+ ATOM 1051 NH2 ARG A 67 1.017 -7.550 -7.157 1.00 0.00 N ATOM 0 H ARG A 67 -4.412 -3.421 -6.052 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.192 -2.319 -4.422 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.661 -3.453 -5.655 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.965 -4.623 -5.602 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.509 -4.337 -7.850 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.850 -2.714 -7.921 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.327 -4.122 -9.119 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.458 -3.704 -7.609 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.032 -6.279 -7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.053 -4.542 -7.665 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.975 -5.977 -7.203 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.164 -8.109 -7.174 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.909 -7.988 -6.927 1.00 0.00 H new ATOM 1065 N PHE A 68 -1.862 -0.355 -5.965 1.00 0.00 N ATOM 1066 CA PHE A 68 -1.904 0.902 -6.682 1.00 0.00 C ATOM 1067 C PHE A 68 -0.593 1.662 -6.564 1.00 0.00 C ATOM 1068 O PHE A 68 0.164 1.483 -5.611 1.00 0.00 O ATOM 1069 CB PHE A 68 -3.068 1.776 -6.188 1.00 0.00 C ATOM 1070 CG PHE A 68 -3.341 1.716 -4.709 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -2.371 2.060 -3.780 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -4.590 1.332 -4.253 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -2.646 2.016 -2.426 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -4.868 1.284 -2.904 1.00 0.00 C ATOM 1075 CZ PHE A 68 -3.897 1.627 -1.989 1.00 0.00 C ATOM 0 H PHE A 68 -1.167 -0.397 -5.220 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.062 0.666 -7.734 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.863 2.811 -6.460 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.973 1.480 -6.719 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.391 2.365 -4.117 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.358 1.066 -4.964 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.883 2.286 -1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.846 0.978 -2.564 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.114 1.592 -0.932 1.00 0.00 H new ATOM 1085 N THR A 69 -0.335 2.489 -7.563 1.00 0.00 N ATOM 1086 CA THR A 69 0.795 3.394 -7.553 1.00 0.00 C ATOM 1087 C THR A 69 0.325 4.757 -7.086 1.00 0.00 C ATOM 1088 O THR A 69 -0.679 5.274 -7.578 1.00 0.00 O ATOM 1089 CB THR A 69 1.425 3.517 -8.948 1.00 0.00 C ATOM 1090 OG1 THR A 69 1.667 2.214 -9.494 1.00 0.00 O ATOM 1091 CG2 THR A 69 2.729 4.283 -8.868 1.00 0.00 C ATOM 0 H THR A 69 -0.907 2.550 -8.405 1.00 0.00 H new ATOM 0 HA THR A 69 1.553 2.999 -6.877 1.00 0.00 H new ATOM 0 HB THR A 69 0.734 4.056 -9.596 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.067 2.302 -10.384 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.166 4.363 -9.864 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.541 5.281 -8.473 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.420 3.757 -8.210 1.00 0.00 H new ATOM 1099 N LEU A 70 1.032 5.326 -6.128 1.00 0.00 N ATOM 1100 CA LEU A 70 0.601 6.563 -5.504 1.00 0.00 C ATOM 1101 C LEU A 70 1.605 7.678 -5.719 1.00 0.00 C ATOM 1102 O LEU A 70 2.810 7.488 -5.559 1.00 0.00 O ATOM 1103 CB LEU A 70 0.393 6.323 -4.017 1.00 0.00 C ATOM 1104 CG LEU A 70 -0.609 5.221 -3.698 1.00 0.00 C ATOM 1105 CD1 LEU A 70 -0.548 4.872 -2.224 1.00 0.00 C ATOM 1106 CD2 LEU A 70 -2.014 5.648 -4.106 1.00 0.00 C ATOM 0 H LEU A 70 1.908 4.951 -5.765 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.335 6.876 -5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.351 6.070 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.056 7.251 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.351 4.329 -4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.268 4.083 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.455 4.527 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.787 5.755 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.719 4.850 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.293 6.550 -3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.036 5.849 -5.177 1.00 0.00 H new ATOM 1118 N ASP A 71 1.090 8.836 -6.093 1.00 0.00 N ATOM 1119 CA ASP A 71 1.910 10.017 -6.308 1.00 0.00 C ATOM 1120 C ASP A 71 2.289 10.643 -4.974 1.00 0.00 C ATOM 1121 O ASP A 71 1.579 10.456 -3.985 1.00 0.00 O ATOM 1122 CB ASP A 71 1.133 11.031 -7.146 1.00 0.00 C ATOM 1123 CG ASP A 71 2.004 12.161 -7.656 1.00 0.00 C ATOM 1124 OD1 ASP A 71 2.249 13.118 -6.894 1.00 0.00 O ATOM 1125 OD2 ASP A 71 2.444 12.102 -8.820 1.00 0.00 O1- ATOM 0 H ASP A 71 0.094 8.985 -6.256 1.00 0.00 H new ATOM 0 HA ASP A 71 2.820 9.727 -6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.675 10.521 -7.993 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.322 11.445 -6.547 1.00 0.00 H new ATOM 1130 N ARG A 72 3.388 11.391 -4.943 1.00 0.00 N ATOM 1131 CA ARG A 72 3.786 12.114 -3.736 1.00 0.00 C ATOM 1132 C ARG A 72 2.654 13.027 -3.268 1.00 0.00 C ATOM 1133 O ARG A 72 2.450 13.221 -2.069 1.00 0.00 O ATOM 1134 CB ARG A 72 5.049 12.944 -3.989 1.00 0.00 C ATOM 1135 CG ARG A 72 5.396 13.875 -2.831 1.00 0.00 C ATOM 1136 CD ARG A 72 6.578 14.774 -3.154 1.00 0.00 C ATOM 1137 NE ARG A 72 7.856 14.077 -3.038 1.00 0.00 N ATOM 1138 CZ ARG A 72 8.857 14.210 -3.909 1.00 0.00 C ATOM 1139 NH1 ARG A 72 8.680 14.906 -5.026 1.00 0.00 N1+ ATOM 1140 NH2 ARG A 72 10.026 13.627 -3.671 1.00 0.00 N ATOM 0 H ARG A 72 4.018 11.513 -5.736 1.00 0.00 H new ATOM 0 HA ARG A 72 4.001 11.381 -2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.888 12.272 -4.171 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.912 13.535 -4.894 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.529 14.490 -2.589 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.624 13.282 -1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.470 15.162 -4.167 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.573 15.632 -2.482 1.00 0.00 H new ATOM 0 HE ARG A 72 7.991 13.451 -2.244 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.777 15.340 -5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.447 15.007 -5.691 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.158 13.077 -2.822 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.792 13.729 -4.337 1.00 0.00 H new ATOM 1154 N GLN A 73 1.905 13.561 -4.224 1.00 0.00 N ATOM 1155 CA GLN A 73 0.793 14.453 -3.922 1.00 0.00 C ATOM 1156 C GLN A 73 -0.422 13.670 -3.424 1.00 0.00 C ATOM 1157 O GLN A 73 -1.498 14.237 -3.223 1.00 0.00 O ATOM 1158 CB GLN A 73 0.423 15.265 -5.163 1.00 0.00 C ATOM 1159 CG GLN A 73 1.572 16.101 -5.702 1.00 0.00 C ATOM 1160 CD GLN A 73 1.230 16.765 -7.020 1.00 0.00 C ATOM 1161 OE1 GLN A 73 1.458 16.202 -8.089 1.00 0.00 O ATOM 1162 NE2 GLN A 73 0.679 17.964 -6.954 1.00 0.00 N ATOM 0 H GLN A 73 2.048 13.391 -5.219 1.00 0.00 H new ATOM 0 HA GLN A 73 1.106 15.132 -3.129 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.080 14.586 -5.944 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.413 15.922 -4.922 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.837 16.865 -4.971 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.449 15.467 -5.834 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.506 18.397 -6.047 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.426 18.457 -7.810 1.00 0.00 H new ATOM 1171 N GLY A 74 -0.240 12.369 -3.225 1.00 0.00 N ATOM 1172 CA GLY A 74 -1.307 11.527 -2.724 1.00 0.00 C ATOM 1173 C GLY A 74 -2.392 11.305 -3.747 1.00 0.00 C ATOM 1174 O GLY A 74 -3.576 11.252 -3.413 1.00 0.00 O ATOM 0 H GLY A 74 0.637 11.880 -3.404 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.895 10.565 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.739 11.984 -1.833 1.00 0.00 H new ATOM 1178 N HIS A 75 -1.985 11.184 -4.999 1.00 0.00 N ATOM 1179 CA HIS A 75 -2.922 10.988 -6.088 1.00 0.00 C ATOM 1180 C HIS A 75 -2.741 9.604 -6.694 1.00 0.00 C ATOM 1181 O HIS A 75 -1.637 9.241 -7.104 1.00 0.00 O ATOM 1182 CB HIS A 75 -2.735 12.075 -7.154 1.00 0.00 C ATOM 1183 CG HIS A 75 -3.660 11.945 -8.328 1.00 0.00 C ATOM 1184 ND1 HIS A 75 -4.981 12.333 -8.298 1.00 0.00 N ATOM 1185 CD2 HIS A 75 -3.450 11.443 -9.565 1.00 0.00 C ATOM 1186 CE1 HIS A 75 -5.539 12.078 -9.467 1.00 0.00 C ATOM 1187 NE2 HIS A 75 -4.631 11.535 -10.255 1.00 0.00 N ATOM 0 H HIS A 75 -1.007 11.219 -5.286 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.937 11.063 -5.697 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.885 13.051 -6.693 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.705 12.046 -7.511 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.521 11.042 -9.942 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -6.566 12.280 -9.733 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -4.782 11.234 -11.218 1.00 0.00 H new ATOM 1196 N VAL A 76 -3.820 8.833 -6.692 1.00 0.00 N ATOM 1197 CA VAL A 76 -3.868 7.541 -7.364 1.00 0.00 C ATOM 1198 C VAL A 76 -3.341 7.634 -8.798 1.00 0.00 C ATOM 1199 O VAL A 76 -3.759 8.491 -9.578 1.00 0.00 O ATOM 1200 CB VAL A 76 -5.312 6.986 -7.373 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -6.269 7.921 -8.096 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -5.354 5.599 -7.987 1.00 0.00 C ATOM 0 H VAL A 76 -4.689 9.087 -6.223 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.225 6.860 -6.807 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.640 6.915 -6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.273 7.497 -8.081 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.277 8.890 -7.597 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.944 8.047 -9.129 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.380 5.230 -7.982 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.989 5.644 -9.013 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.723 4.925 -7.407 1.00 0.00 H new ATOM 1212 N LEU A 77 -2.397 6.768 -9.127 1.00 0.00 N ATOM 1213 CA LEU A 77 -1.804 6.757 -10.455 1.00 0.00 C ATOM 1214 C LEU A 77 -2.160 5.473 -11.194 1.00 0.00 C ATOM 1215 O LEU A 77 -2.520 5.493 -12.372 1.00 0.00 O ATOM 1216 CB LEU A 77 -0.285 6.896 -10.351 1.00 0.00 C ATOM 1217 CG LEU A 77 0.193 8.152 -9.627 1.00 0.00 C ATOM 1218 CD1 LEU A 77 1.660 8.025 -9.269 1.00 0.00 C ATOM 1219 CD2 LEU A 77 -0.047 9.389 -10.484 1.00 0.00 C ATOM 0 H LEU A 77 -2.024 6.062 -8.492 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.203 7.601 -11.018 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.112 6.022 -9.834 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.136 6.890 -11.356 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.379 8.261 -8.706 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.988 8.927 -8.753 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.802 7.163 -8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.246 7.893 -10.178 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.300 10.274 -9.951 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.499 9.293 -11.422 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.112 9.486 -10.693 1.00 0.00 H new ATOM 1231 N ALA A 78 -2.067 4.364 -10.482 1.00 0.00 N ATOM 1232 CA ALA A 78 -2.399 3.056 -11.028 1.00 0.00 C ATOM 1233 C ALA A 78 -3.323 2.338 -10.070 1.00 0.00 C ATOM 1234 O ALA A 78 -3.299 2.628 -8.882 1.00 0.00 O ATOM 1235 CB ALA A 78 -1.141 2.230 -11.246 1.00 0.00 C ATOM 0 H ALA A 78 -1.760 4.343 -9.510 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.893 3.189 -11.990 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.411 1.256 -11.654 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.483 2.747 -11.945 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.626 2.094 -10.295 1.00 0.00 H new ATOM 1241 N VAL A 79 -4.131 1.418 -10.578 1.00 0.00 N ATOM 1242 CA VAL A 79 -5.038 0.645 -9.744 1.00 0.00 C ATOM 1243 C VAL A 79 -5.232 -0.754 -10.308 1.00 0.00 C ATOM 1244 O VAL A 79 -5.536 -0.925 -11.490 1.00 0.00 O ATOM 1245 CB VAL A 79 -6.424 1.318 -9.594 1.00 0.00 C ATOM 1246 CG1 VAL A 79 -6.367 2.454 -8.591 1.00 0.00 C ATOM 1247 CG2 VAL A 79 -6.937 1.824 -10.933 1.00 0.00 C ATOM 0 H VAL A 79 -4.176 1.188 -11.571 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.574 0.591 -8.759 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.119 0.563 -9.225 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.352 2.911 -8.503 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.058 2.067 -7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.649 3.202 -8.928 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.912 2.292 -10.796 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.237 2.555 -11.338 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.030 0.988 -11.626 1.00 0.00 H new ATOM 1257 N THR A 80 -5.016 -1.754 -9.475 1.00 0.00 N ATOM 1258 CA THR A 80 -5.279 -3.128 -9.850 1.00 0.00 C ATOM 1259 C THR A 80 -5.792 -3.902 -8.642 1.00 0.00 C ATOM 1260 O THR A 80 -5.182 -3.867 -7.572 1.00 0.00 O ATOM 1261 CB THR A 80 -4.013 -3.809 -10.408 1.00 0.00 C ATOM 1262 OG1 THR A 80 -3.442 -2.997 -11.444 1.00 0.00 O ATOM 1263 CG2 THR A 80 -4.337 -5.188 -10.964 1.00 0.00 C ATOM 0 H THR A 80 -4.656 -1.638 -8.528 1.00 0.00 H new ATOM 0 HA THR A 80 -6.036 -3.127 -10.634 1.00 0.00 H new ATOM 0 HB THR A 80 -3.298 -3.923 -9.593 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.637 -3.432 -11.795 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.427 -5.647 -11.351 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.749 -5.812 -10.171 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.067 -5.094 -11.768 1.00 0.00 H new ATOM 1271 N LEU A 81 -6.920 -4.573 -8.801 1.00 0.00 N ATOM 1272 CA LEU A 81 -7.481 -5.355 -7.718 1.00 0.00 C ATOM 1273 C LEU A 81 -6.706 -6.651 -7.561 1.00 0.00 C ATOM 1274 O LEU A 81 -6.798 -7.546 -8.401 1.00 0.00 O ATOM 1275 CB LEU A 81 -8.956 -5.669 -7.966 1.00 0.00 C ATOM 1276 CG LEU A 81 -9.659 -6.387 -6.812 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -9.935 -5.420 -5.674 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.946 -7.049 -7.285 1.00 0.00 C ATOM 0 H LEU A 81 -7.461 -4.591 -9.665 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.405 -4.766 -6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.483 -4.737 -8.171 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.037 -6.284 -8.862 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.997 -7.170 -6.444 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.435 -5.947 -4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.994 -5.006 -5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.574 -4.612 -6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.426 -7.552 -6.446 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.619 -6.291 -7.687 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.716 -7.778 -8.062 1.00 0.00 H new ATOM 1290 N VAL A 82 -5.942 -6.741 -6.491 1.00 0.00 N ATOM 1291 CA VAL A 82 -5.173 -7.948 -6.209 1.00 0.00 C ATOM 1292 C VAL A 82 -6.119 -9.036 -5.709 1.00 0.00 C ATOM 1293 O VAL A 82 -5.926 -10.225 -5.961 1.00 0.00 O ATOM 1294 CB VAL A 82 -4.080 -7.692 -5.154 1.00 0.00 C ATOM 1295 CG1 VAL A 82 -2.747 -8.272 -5.594 1.00 0.00 C ATOM 1296 CG2 VAL A 82 -3.933 -6.209 -4.881 1.00 0.00 C ATOM 0 H VAL A 82 -5.834 -5.998 -5.801 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.681 -8.263 -7.129 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.387 -8.191 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.995 -8.076 -4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.848 -9.348 -5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.440 -7.809 -6.532 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.156 -6.052 -4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.659 -5.695 -5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.878 -5.812 -4.511 1.00 0.00 H new ATOM 1306 N SER A 83 -7.135 -8.579 -4.979 1.00 0.00 N ATOM 1307 CA SER A 83 -8.280 -9.391 -4.567 1.00 0.00 C ATOM 1308 C SER A 83 -7.939 -10.353 -3.430 1.00 0.00 C ATOM 1309 O SER A 83 -6.782 -10.491 -3.031 1.00 0.00 O ATOM 1310 CB SER A 83 -8.858 -10.143 -5.765 1.00 0.00 C ATOM 1311 OG SER A 83 -10.100 -10.754 -5.447 1.00 0.00 O ATOM 0 H SER A 83 -7.187 -7.615 -4.651 1.00 0.00 H new ATOM 0 HA SER A 83 -9.036 -8.708 -4.180 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.994 -9.453 -6.598 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.151 -10.904 -6.094 1.00 0.00 H new ATOM 0 HG SER A 83 -10.444 -11.225 -6.234 1.00 0.00 H new ATOM 1317 N SER A 84 -8.973 -10.989 -2.891 1.00 0.00 N ATOM 1318 CA SER A 84 -8.833 -11.871 -1.743 1.00 0.00 C ATOM 1319 C SER A 84 -9.941 -12.922 -1.732 1.00 0.00 C ATOM 1320 O SER A 84 -9.666 -14.118 -1.642 1.00 0.00 O ATOM 1321 CB SER A 84 -8.865 -11.060 -0.447 1.00 0.00 C ATOM 1322 OG SER A 84 -7.816 -10.107 -0.420 1.00 0.00 O ATOM 0 H SER A 84 -9.929 -10.907 -3.238 1.00 0.00 H new ATOM 0 HA SER A 84 -7.873 -12.382 -1.818 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.825 -10.552 -0.355 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.775 -11.730 0.408 1.00 0.00 H new ATOM 0 HG SER A 84 -8.190 -9.206 -0.509 1.00 0.00 H new ATOM 1328 N ALA A 85 -11.192 -12.478 -1.827 1.00 0.00 N ATOM 1329 CA ALA A 85 -12.318 -13.400 -1.789 1.00 0.00 C ATOM 1330 C ALA A 85 -13.172 -13.319 -3.053 1.00 0.00 C ATOM 1331 O ALA A 85 -13.042 -14.155 -3.949 1.00 0.00 O ATOM 1332 CB ALA A 85 -13.170 -13.157 -0.551 1.00 0.00 C ATOM 0 H ALA A 85 -11.447 -11.496 -1.930 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.907 -14.408 -1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.006 -13.856 -0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -12.564 -13.304 0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.551 -12.136 -0.566 1.00 0.00 H new ATOM 1338 N GLY A 86 -14.031 -12.306 -3.139 1.00 0.00 N ATOM 1339 CA GLY A 86 -14.932 -12.202 -4.267 1.00 0.00 C ATOM 1340 C GLY A 86 -16.009 -11.157 -4.055 1.00 0.00 C ATOM 1341 O GLY A 86 -16.964 -11.379 -3.309 1.00 0.00 O ATOM 0 H GLY A 86 -14.117 -11.560 -2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.361 -11.955 -5.162 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.400 -13.170 -4.445 1.00 0.00 H new ATOM 1345 N LEU A 87 -15.847 -10.014 -4.698 1.00 0.00 N ATOM 1346 CA LEU A 87 -16.828 -8.938 -4.612 1.00 0.00 C ATOM 1347 C LEU A 87 -17.381 -8.636 -6.001 1.00 0.00 C ATOM 1348 O LEU A 87 -16.704 -8.011 -6.811 1.00 0.00 O ATOM 1349 CB LEU A 87 -16.226 -7.639 -4.041 1.00 0.00 C ATOM 1350 CG LEU A 87 -15.407 -7.740 -2.746 1.00 0.00 C ATOM 1351 CD1 LEU A 87 -16.139 -8.558 -1.708 1.00 0.00 C ATOM 1352 CD2 LEU A 87 -14.016 -8.299 -3.005 1.00 0.00 C ATOM 0 H LEU A 87 -15.043 -9.803 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.615 -9.278 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.588 -7.200 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -17.043 -6.939 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.283 -6.730 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.539 -8.615 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -17.095 -8.087 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -16.312 -9.563 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.466 -8.356 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.099 -9.296 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.485 -7.646 -3.698 1.00 0.00 H new ATOM 1364 N PRO A 88 -18.607 -9.076 -6.309 1.00 0.00 N ATOM 1365 CA PRO A 88 -19.229 -8.804 -7.597 1.00 0.00 C ATOM 1366 C PRO A 88 -19.918 -7.441 -7.623 1.00 0.00 C ATOM 1367 O PRO A 88 -19.347 -6.455 -8.082 1.00 0.00 O ATOM 1368 CB PRO A 88 -20.243 -9.942 -7.762 1.00 0.00 C ATOM 1369 CG PRO A 88 -20.352 -10.623 -6.425 1.00 0.00 C ATOM 1370 CD PRO A 88 -19.479 -9.877 -5.446 1.00 0.00 C ATOM 0 HA PRO A 88 -18.500 -8.765 -8.406 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -21.211 -9.554 -8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.915 -10.644 -8.528 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.387 -10.629 -6.084 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.036 -11.663 -6.501 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.070 -9.250 -4.778 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.906 -10.559 -4.818 1.00 0.00 H new ATOM 1378 N SER A 89 -21.132 -7.386 -7.091 1.00 0.00 N ATOM 1379 CA SER A 89 -21.886 -6.144 -7.003 1.00 0.00 C ATOM 1380 C SER A 89 -21.269 -5.216 -5.960 1.00 0.00 C ATOM 1381 O SER A 89 -21.512 -4.009 -5.957 1.00 0.00 O ATOM 1382 CB SER A 89 -23.336 -6.462 -6.648 1.00 0.00 C ATOM 1383 OG SER A 89 -23.397 -7.473 -5.656 1.00 0.00 O ATOM 0 H SER A 89 -21.619 -8.197 -6.710 1.00 0.00 H new ATOM 0 HA SER A 89 -21.855 -5.634 -7.966 1.00 0.00 H new ATOM 0 HB2 SER A 89 -23.834 -5.562 -6.288 1.00 0.00 H new ATOM 0 HB3 SER A 89 -23.871 -6.787 -7.540 1.00 0.00 H new ATOM 0 HG SER A 89 -24.334 -7.663 -5.440 1.00 0.00 H new ATOM 1389 N LEU A 90 -20.470 -5.799 -5.080 1.00 0.00 N ATOM 1390 CA LEU A 90 -19.834 -5.058 -4.000 1.00 0.00 C ATOM 1391 C LEU A 90 -18.678 -4.220 -4.524 1.00 0.00 C ATOM 1392 O LEU A 90 -18.405 -3.134 -4.011 1.00 0.00 O ATOM 1393 CB LEU A 90 -19.301 -6.029 -2.945 1.00 0.00 C ATOM 1394 CG LEU A 90 -20.287 -7.089 -2.469 1.00 0.00 C ATOM 1395 CD1 LEU A 90 -19.522 -8.279 -1.914 1.00 0.00 C ATOM 1396 CD2 LEU A 90 -21.227 -6.509 -1.421 1.00 0.00 C ATOM 0 H LEU A 90 -20.244 -6.794 -5.093 1.00 0.00 H new ATOM 0 HA LEU A 90 -20.581 -4.399 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -18.422 -6.531 -3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -18.969 -5.453 -2.081 1.00 0.00 H new ATOM 0 HG LEU A 90 -20.893 -7.423 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -20.227 -9.038 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -18.886 -8.698 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -18.904 -7.956 -1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -21.925 -7.279 -1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -20.647 -6.156 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -21.783 -5.676 -1.852 1.00 0.00 H new ATOM 1408 N ASP A 91 -18.021 -4.734 -5.562 1.00 0.00 N ATOM 1409 CA ASP A 91 -16.779 -4.157 -6.073 1.00 0.00 C ATOM 1410 C ASP A 91 -16.935 -2.682 -6.409 1.00 0.00 C ATOM 1411 O ASP A 91 -16.163 -1.850 -5.943 1.00 0.00 O ATOM 1412 CB ASP A 91 -16.324 -4.922 -7.317 1.00 0.00 C ATOM 1413 CG ASP A 91 -15.056 -4.353 -7.928 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -15.158 -3.469 -8.804 1.00 0.00 O1- ATOM 1415 OD2 ASP A 91 -13.955 -4.804 -7.548 1.00 0.00 O ATOM 0 H ASP A 91 -18.334 -5.560 -6.072 1.00 0.00 H new ATOM 0 HA ASP A 91 -16.028 -4.243 -5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -16.158 -5.967 -7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -17.120 -4.903 -8.061 1.00 0.00 H new ATOM 1420 N ARG A 92 -17.969 -2.364 -7.173 1.00 0.00 N ATOM 1421 CA ARG A 92 -18.184 -1.001 -7.647 1.00 0.00 C ATOM 1422 C ARG A 92 -18.166 0.005 -6.494 1.00 0.00 C ATOM 1423 O ARG A 92 -17.511 1.040 -6.578 1.00 0.00 O ATOM 1424 CB ARG A 92 -19.522 -0.912 -8.390 1.00 0.00 C ATOM 1425 CG ARG A 92 -20.706 -1.375 -7.554 1.00 0.00 C ATOM 1426 CD ARG A 92 -22.024 -1.217 -8.286 1.00 0.00 C ATOM 1427 NE ARG A 92 -22.103 -2.067 -9.473 1.00 0.00 N ATOM 1428 CZ ARG A 92 -22.952 -1.864 -10.480 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -23.764 -0.812 -10.465 1.00 0.00 N1+ ATOM 1430 NH2 ARG A 92 -22.977 -2.708 -11.503 1.00 0.00 N ATOM 0 H ARG A 92 -18.676 -3.032 -7.480 1.00 0.00 H new ATOM 0 HA ARG A 92 -17.368 -0.751 -8.326 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -19.688 0.119 -8.703 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -19.468 -1.516 -9.296 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -20.568 -2.421 -7.281 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -20.738 -0.804 -6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -22.844 -1.462 -7.611 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -22.152 -0.175 -8.579 1.00 0.00 H new ATOM 0 HE ARG A 92 -21.470 -2.864 -9.534 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -23.738 -0.159 -9.682 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -24.413 -0.658 -11.236 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -22.347 -3.510 -11.518 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -23.626 -2.555 -12.275 1.00 0.00 H new ATOM 1444 N GLU A 93 -18.881 -0.311 -5.425 1.00 0.00 N ATOM 1445 CA GLU A 93 -19.051 0.591 -4.309 1.00 0.00 C ATOM 1446 C GLU A 93 -17.840 0.634 -3.377 1.00 0.00 C ATOM 1447 O GLU A 93 -17.307 1.709 -3.100 1.00 0.00 O ATOM 1448 CB GLU A 93 -20.307 0.184 -3.564 1.00 0.00 C ATOM 1449 CG GLU A 93 -21.551 0.870 -4.106 1.00 0.00 C ATOM 1450 CD GLU A 93 -22.832 0.198 -3.679 1.00 0.00 C ATOM 1451 OE1 GLU A 93 -23.286 -0.726 -4.388 1.00 0.00 O1- ATOM 1452 OE2 GLU A 93 -23.396 0.583 -2.638 1.00 0.00 O ATOM 0 H GLU A 93 -19.359 -1.205 -5.312 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.146 1.606 -4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.432 -0.897 -3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.194 0.426 -2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -21.562 1.907 -3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -21.503 0.888 -5.195 1.00 0.00 H new ATOM 1459 N ILE A 94 -17.407 -0.526 -2.892 1.00 0.00 N ATOM 1460 CA ILE A 94 -16.292 -0.582 -1.949 1.00 0.00 C ATOM 1461 C ILE A 94 -15.002 -0.048 -2.565 1.00 0.00 C ATOM 1462 O ILE A 94 -14.190 0.569 -1.872 1.00 0.00 O ATOM 1463 CB ILE A 94 -16.046 -2.005 -1.392 1.00 0.00 C ATOM 1464 CG1 ILE A 94 -15.642 -2.978 -2.504 1.00 0.00 C ATOM 1465 CG2 ILE A 94 -17.280 -2.511 -0.659 1.00 0.00 C ATOM 1466 CD1 ILE A 94 -15.346 -4.374 -2.005 1.00 0.00 C ATOM 0 H ILE A 94 -17.806 -1.433 -3.133 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.583 0.059 -1.117 1.00 0.00 H new ATOM 0 HB ILE A 94 -15.219 -1.948 -0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.443 -3.027 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -14.761 -2.589 -3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -17.089 -3.513 -0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -17.511 -1.842 0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -18.125 -2.542 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -15.067 -5.009 -2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -14.525 -4.338 -1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -16.233 -4.783 -1.520 1.00 0.00 H new ATOM 1478 N GLN A 95 -14.805 -0.260 -3.866 1.00 0.00 N ATOM 1479 CA GLN A 95 -13.628 0.263 -4.512 1.00 0.00 C ATOM 1480 C GLN A 95 -13.829 1.718 -4.875 1.00 0.00 C ATOM 1481 O GLN A 95 -12.892 2.471 -4.909 1.00 0.00 O ATOM 1482 CB GLN A 95 -13.262 -0.511 -5.763 1.00 0.00 C ATOM 1483 CG GLN A 95 -13.272 -2.024 -5.605 1.00 0.00 C ATOM 1484 CD GLN A 95 -12.260 -2.522 -4.603 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -11.229 -1.898 -4.390 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -12.543 -3.661 -3.998 1.00 0.00 N ATOM 0 H GLN A 95 -15.438 -0.781 -4.473 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.810 0.161 -3.799 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.957 -0.239 -6.558 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.269 -0.201 -6.087 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.267 -2.344 -5.297 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.074 -2.486 -6.572 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.415 -4.147 -4.207 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.889 -4.055 -3.321 1.00 0.00 H new ATOM 1495 N ALA A 96 -15.049 2.124 -5.139 1.00 0.00 N ATOM 1496 CA ALA A 96 -15.307 3.542 -5.384 1.00 0.00 C ATOM 1497 C ALA A 96 -14.775 4.356 -4.212 1.00 0.00 C ATOM 1498 O ALA A 96 -14.132 5.390 -4.390 1.00 0.00 O ATOM 1499 CB ALA A 96 -16.793 3.805 -5.578 1.00 0.00 C ATOM 0 H ALA A 96 -15.867 1.517 -5.191 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.797 3.839 -6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -16.954 4.868 -5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -17.155 3.233 -6.432 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -17.336 3.503 -4.683 1.00 0.00 H new ATOM 1505 N LEU A 97 -14.995 3.824 -3.023 1.00 0.00 N ATOM 1506 CA LEU A 97 -14.522 4.393 -1.801 1.00 0.00 C ATOM 1507 C LEU A 97 -12.987 4.414 -1.739 1.00 0.00 C ATOM 1508 O LEU A 97 -12.375 5.464 -1.551 1.00 0.00 O ATOM 1509 CB LEU A 97 -15.081 3.532 -0.679 1.00 0.00 C ATOM 1510 CG LEU A 97 -14.671 3.978 0.689 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -15.853 4.567 1.438 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -14.035 2.834 1.457 1.00 0.00 C ATOM 0 H LEU A 97 -15.523 2.961 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.849 5.429 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -16.169 3.534 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.755 2.502 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.922 4.763 0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -15.533 4.885 2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -16.240 5.425 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -16.635 3.814 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.744 3.179 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -14.751 2.017 1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.153 2.483 0.922 1.00 0.00 H new ATOM 1524 N VAL A 98 -12.379 3.249 -1.928 1.00 0.00 N ATOM 1525 CA VAL A 98 -10.929 3.084 -1.772 1.00 0.00 C ATOM 1526 C VAL A 98 -10.149 3.448 -3.039 1.00 0.00 C ATOM 1527 O VAL A 98 -9.176 4.199 -2.987 1.00 0.00 O ATOM 1528 CB VAL A 98 -10.603 1.625 -1.374 1.00 0.00 C ATOM 1529 CG1 VAL A 98 -9.117 1.320 -1.529 1.00 0.00 C ATOM 1530 CG2 VAL A 98 -11.062 1.354 0.054 1.00 0.00 C ATOM 0 H VAL A 98 -12.868 2.394 -2.192 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.618 3.773 -0.987 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.144 0.964 -2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -8.926 0.286 -1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.822 1.467 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.540 1.988 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.827 0.324 0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.550 2.033 0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -12.138 1.511 0.126 1.00 0.00 H new ATOM 1540 N LYS A 99 -10.595 2.917 -4.168 1.00 0.00 N ATOM 1541 CA LYS A 99 -9.903 3.060 -5.449 1.00 0.00 C ATOM 1542 C LYS A 99 -9.857 4.524 -5.882 1.00 0.00 C ATOM 1543 O LYS A 99 -8.896 4.961 -6.512 1.00 0.00 O ATOM 1544 CB LYS A 99 -10.610 2.227 -6.536 1.00 0.00 C ATOM 1545 CG LYS A 99 -9.665 1.636 -7.567 1.00 0.00 C ATOM 1546 CD LYS A 99 -8.832 0.512 -6.969 1.00 0.00 C ATOM 1547 CE LYS A 99 -9.690 -0.695 -6.624 1.00 0.00 C ATOM 1548 NZ LYS A 99 -10.253 -1.342 -7.841 1.00 0.00 N1+ ATOM 0 H LYS A 99 -11.454 2.370 -4.226 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.883 2.698 -5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.163 1.418 -6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.340 2.856 -7.045 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.237 1.257 -8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.007 2.416 -7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.056 0.218 -7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.328 0.870 -6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.092 -1.420 -6.071 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.504 -0.386 -5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.642 -2.273 -7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.009 -0.745 -8.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.502 -1.460 -8.550 1.00 0.00 H new ATOM 1562 N ARG A 100 -10.907 5.276 -5.561 1.00 0.00 N ATOM 1563 CA ARG A 100 -10.936 6.695 -5.885 1.00 0.00 C ATOM 1564 C ARG A 100 -10.057 7.462 -4.908 1.00 0.00 C ATOM 1565 O ARG A 100 -9.236 8.294 -5.303 1.00 0.00 O ATOM 1566 CB ARG A 100 -12.378 7.214 -5.838 1.00 0.00 C ATOM 1567 CG ARG A 100 -12.579 8.627 -6.378 1.00 0.00 C ATOM 1568 CD ARG A 100 -12.067 9.698 -5.425 1.00 0.00 C ATOM 1569 NE ARG A 100 -12.404 11.043 -5.887 1.00 0.00 N ATOM 1570 CZ ARG A 100 -11.534 12.049 -5.967 1.00 0.00 C ATOM 1571 NH1 ARG A 100 -10.266 11.877 -5.602 1.00 0.00 N1+ ATOM 1572 NH2 ARG A 100 -11.932 13.229 -6.424 1.00 0.00 N ATOM 0 H ARG A 100 -11.739 4.929 -5.083 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.550 6.844 -6.893 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -13.011 6.532 -6.406 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.724 7.185 -4.805 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -12.066 8.722 -7.335 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -13.640 8.792 -6.567 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -12.493 9.537 -4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.985 9.609 -5.325 1.00 0.00 H new ATOM 0 HE ARG A 100 -13.368 11.223 -6.166 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.953 10.969 -5.258 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.607 12.653 -5.667 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -12.901 13.364 -6.713 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.269 14.002 -6.487 1.00 0.00 H new ATOM 1586 N ALA A 101 -10.239 7.186 -3.628 1.00 0.00 N ATOM 1587 CA ALA A 101 -9.488 7.865 -2.587 1.00 0.00 C ATOM 1588 C ALA A 101 -8.239 7.084 -2.204 1.00 0.00 C ATOM 1589 O ALA A 101 -8.080 6.688 -1.052 1.00 0.00 O ATOM 1590 CB ALA A 101 -10.362 8.086 -1.361 1.00 0.00 C ATOM 0 H ALA A 101 -10.904 6.493 -3.284 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.175 8.832 -2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.785 8.596 -0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.223 8.697 -1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.705 7.124 -0.981 1.00 0.00 H new ATOM 1596 N SER A 102 -7.363 6.845 -3.173 1.00 0.00 N ATOM 1597 CA SER A 102 -6.085 6.213 -2.887 1.00 0.00 C ATOM 1598 C SER A 102 -5.004 7.279 -2.712 1.00 0.00 C ATOM 1599 O SER A 102 -4.483 7.829 -3.684 1.00 0.00 O ATOM 1600 CB SER A 102 -5.709 5.220 -3.987 1.00 0.00 C ATOM 1601 OG SER A 102 -6.733 4.257 -4.180 1.00 0.00 O ATOM 0 H SER A 102 -7.514 7.078 -4.155 1.00 0.00 H new ATOM 0 HA SER A 102 -6.171 5.653 -1.956 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.530 5.756 -4.919 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.778 4.717 -3.724 1.00 0.00 H new ATOM 0 HG SER A 102 -7.492 4.466 -3.597 1.00 0.00 H new ATOM 1607 N PRO A 103 -4.690 7.603 -1.451 1.00 0.00 N ATOM 1608 CA PRO A 103 -3.755 8.644 -1.075 1.00 0.00 C ATOM 1609 C PRO A 103 -2.396 8.107 -0.623 1.00 0.00 C ATOM 1610 O PRO A 103 -2.194 6.900 -0.512 1.00 0.00 O ATOM 1611 CB PRO A 103 -4.490 9.277 0.104 1.00 0.00 C ATOM 1612 CG PRO A 103 -5.312 8.166 0.704 1.00 0.00 C ATOM 1613 CD PRO A 103 -5.260 6.999 -0.253 1.00 0.00 C ATOM 0 HA PRO A 103 -3.512 9.313 -1.900 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -3.788 9.684 0.832 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.123 10.101 -0.224 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.918 7.881 1.679 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.341 8.490 0.859 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.639 6.188 0.128 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.250 6.582 -0.440 1.00 0.00 H new ATOM 1621 N LEU A 104 -1.480 9.021 -0.344 1.00 0.00 N ATOM 1622 CA LEU A 104 -0.142 8.670 0.112 1.00 0.00 C ATOM 1623 C LEU A 104 0.307 9.678 1.169 1.00 0.00 C ATOM 1624 O LEU A 104 0.867 10.725 0.836 1.00 0.00 O ATOM 1625 CB LEU A 104 0.825 8.669 -1.080 1.00 0.00 C ATOM 1626 CG LEU A 104 2.259 8.213 -0.788 1.00 0.00 C ATOM 1627 CD1 LEU A 104 2.307 6.724 -0.457 1.00 0.00 C ATOM 1628 CD2 LEU A 104 3.153 8.522 -1.978 1.00 0.00 C ATOM 0 H LEU A 104 -1.641 10.025 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.148 7.673 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.412 8.024 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.863 9.678 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 104 2.623 8.759 0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.337 6.429 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.694 6.527 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.925 6.151 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.170 8.195 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.781 7.997 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.149 9.595 -2.167 1.00 0.00 H new ATOM 1640 N PRO A 105 0.036 9.391 2.456 1.00 0.00 N ATOM 1641 CA PRO A 105 0.311 10.333 3.540 1.00 0.00 C ATOM 1642 C PRO A 105 1.800 10.508 3.807 1.00 0.00 C ATOM 1643 O PRO A 105 2.304 11.630 3.839 1.00 0.00 O ATOM 1644 CB PRO A 105 -0.380 9.730 4.762 1.00 0.00 C ATOM 1645 CG PRO A 105 -0.700 8.311 4.427 1.00 0.00 C ATOM 1646 CD PRO A 105 -0.546 8.130 2.938 1.00 0.00 C ATOM 0 HA PRO A 105 -0.053 11.329 3.288 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.268 9.783 5.637 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.288 10.283 5.004 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.034 7.635 4.963 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.717 8.068 4.736 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.102 7.284 2.709 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.507 7.933 2.464 1.00 0.00 H new ATOM 1654 N THR A 106 2.492 9.401 4.016 1.00 0.00 N ATOM 1655 CA THR A 106 3.926 9.428 4.230 1.00 0.00 C ATOM 1656 C THR A 106 4.649 9.253 2.903 1.00 0.00 C ATOM 1657 O THR A 106 4.660 8.154 2.348 1.00 0.00 O ATOM 1658 CB THR A 106 4.354 8.317 5.209 1.00 0.00 C ATOM 1659 OG1 THR A 106 3.786 7.065 4.802 1.00 0.00 O ATOM 1660 CG2 THR A 106 3.911 8.642 6.626 1.00 0.00 C ATOM 0 H THR A 106 2.080 8.468 4.042 1.00 0.00 H new ATOM 0 HA THR A 106 4.192 10.392 4.664 1.00 0.00 H new ATOM 0 HB THR A 106 5.442 8.248 5.194 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.854 6.976 3.828 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.225 7.843 7.298 1.00 0.00 H new ATOM 0 HG22 THR A 106 4.365 9.581 6.943 1.00 0.00 H new ATOM 0 HG23 THR A 106 2.825 8.735 6.655 1.00 0.00 H new ATOM 1668 N PRO A 107 5.238 10.336 2.370 1.00 0.00 N ATOM 1669 CA PRO A 107 5.906 10.316 1.065 1.00 0.00 C ATOM 1670 C PRO A 107 7.183 9.476 1.071 1.00 0.00 C ATOM 1671 O PRO A 107 8.215 9.889 1.609 1.00 0.00 O ATOM 1672 CB PRO A 107 6.236 11.789 0.802 1.00 0.00 C ATOM 1673 CG PRO A 107 6.281 12.420 2.150 1.00 0.00 C ATOM 1674 CD PRO A 107 5.297 11.668 3.000 1.00 0.00 C ATOM 0 HA PRO A 107 5.275 9.865 0.299 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.190 11.894 0.285 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.479 12.257 0.172 1.00 0.00 H new ATOM 0 HG2 PRO A 107 7.284 12.363 2.573 1.00 0.00 H new ATOM 0 HG3 PRO A 107 6.019 13.476 2.094 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.628 11.606 4.037 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.320 12.152 3.006 1.00 0.00 H new ATOM 1682 N PRO A 108 7.130 8.289 0.456 1.00 0.00 N ATOM 1683 CA PRO A 108 8.262 7.378 0.384 1.00 0.00 C ATOM 1684 C PRO A 108 9.149 7.696 -0.811 1.00 0.00 C ATOM 1685 O PRO A 108 9.318 6.877 -1.714 1.00 0.00 O ATOM 1686 CB PRO A 108 7.570 6.029 0.215 1.00 0.00 C ATOM 1687 CG PRO A 108 6.383 6.343 -0.628 1.00 0.00 C ATOM 1688 CD PRO A 108 5.951 7.736 -0.235 1.00 0.00 C ATOM 0 HA PRO A 108 8.924 7.428 1.248 1.00 0.00 H new ATOM 0 HB2 PRO A 108 8.223 5.302 -0.268 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.278 5.606 1.176 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.634 6.296 -1.688 1.00 0.00 H new ATOM 0 HG3 PRO A 108 5.582 5.623 -0.458 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.682 8.332 -1.107 1.00 0.00 H new ATOM 0 HD3 PRO A 108 5.078 7.715 0.418 1.00 0.00 H new ATOM 1696 N ALA A 109 9.697 8.904 -0.814 1.00 0.00 N ATOM 1697 CA ALA A 109 10.557 9.353 -1.897 1.00 0.00 C ATOM 1698 C ALA A 109 11.733 8.407 -2.058 1.00 0.00 C ATOM 1699 O ALA A 109 12.098 8.032 -3.169 1.00 0.00 O ATOM 1700 CB ALA A 109 11.041 10.769 -1.637 1.00 0.00 C ATOM 0 H ALA A 109 9.559 9.592 -0.074 1.00 0.00 H new ATOM 0 HA ALA A 109 9.983 9.353 -2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.684 11.090 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.184 11.439 -1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 109 11.603 10.796 -0.704 1.00 0.00 H new ATOM 1706 N ASP A 110 12.279 7.992 -0.927 1.00 0.00 N ATOM 1707 CA ASP A 110 13.411 7.077 -0.893 1.00 0.00 C ATOM 1708 C ASP A 110 13.069 5.737 -1.547 1.00 0.00 C ATOM 1709 O ASP A 110 13.941 5.045 -2.070 1.00 0.00 O ATOM 1710 CB ASP A 110 13.844 6.869 0.562 1.00 0.00 C ATOM 1711 CG ASP A 110 15.002 5.906 0.708 1.00 0.00 C ATOM 1712 OD1 ASP A 110 16.154 6.306 0.415 1.00 0.00 O1- ATOM 1713 OD2 ASP A 110 14.769 4.760 1.128 1.00 0.00 O ATOM 0 H ASP A 110 11.951 8.279 -0.005 1.00 0.00 H new ATOM 0 HA ASP A 110 14.231 7.514 -1.462 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.123 7.831 0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.996 6.497 1.137 1.00 0.00 H new ATOM 1718 N ALA A 111 11.786 5.400 -1.546 1.00 0.00 N ATOM 1719 CA ALA A 111 11.328 4.110 -2.039 1.00 0.00 C ATOM 1720 C ALA A 111 11.071 4.117 -3.539 1.00 0.00 C ATOM 1721 O ALA A 111 11.216 3.088 -4.200 1.00 0.00 O ATOM 1722 CB ALA A 111 10.065 3.696 -1.307 1.00 0.00 C ATOM 0 H ALA A 111 11.040 6.008 -1.207 1.00 0.00 H new ATOM 0 HA ALA A 111 12.125 3.392 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 111 9.728 2.729 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 111 10.272 3.620 -0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 111 9.287 4.441 -1.474 1.00 0.00 H new ATOM 1728 N TYR A 112 10.691 5.263 -4.087 1.00 0.00 N ATOM 1729 CA TYR A 112 10.276 5.302 -5.481 1.00 0.00 C ATOM 1730 C TYR A 112 11.186 6.137 -6.354 1.00 0.00 C ATOM 1731 O TYR A 112 10.817 6.512 -7.464 1.00 0.00 O ATOM 1732 CB TYR A 112 8.822 5.720 -5.639 1.00 0.00 C ATOM 1733 CG TYR A 112 8.404 7.024 -5.003 1.00 0.00 C ATOM 1734 CD1 TYR A 112 9.126 8.197 -5.172 1.00 0.00 C ATOM 1735 CD2 TYR A 112 7.252 7.070 -4.241 1.00 0.00 C ATOM 1736 CE1 TYR A 112 8.707 9.376 -4.590 1.00 0.00 C ATOM 1737 CE2 TYR A 112 6.823 8.234 -3.658 1.00 0.00 C ATOM 1738 CZ TYR A 112 7.552 9.390 -3.832 1.00 0.00 C ATOM 1739 OH TYR A 112 7.131 10.562 -3.244 1.00 0.00 O ATOM 0 H TYR A 112 10.661 6.159 -3.600 1.00 0.00 H new ATOM 0 HA TYR A 112 10.364 4.275 -5.836 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.602 5.779 -6.705 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.197 4.928 -5.227 1.00 0.00 H new ATOM 0 HD1 TYR A 112 10.027 8.187 -5.767 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.676 6.167 -4.102 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.278 10.282 -4.726 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.920 8.245 -3.066 1.00 0.00 H new ATOM 0 HH TYR A 112 6.302 10.399 -2.747 1.00 0.00 H new ATOM 1749 N VAL A 113 12.364 6.426 -5.858 1.00 0.00 N ATOM 1750 CA VAL A 113 13.367 7.077 -6.689 1.00 0.00 C ATOM 1751 C VAL A 113 13.869 6.065 -7.715 1.00 0.00 C ATOM 1752 O VAL A 113 14.872 5.375 -7.515 1.00 0.00 O ATOM 1753 CB VAL A 113 14.552 7.647 -5.869 1.00 0.00 C ATOM 1754 CG1 VAL A 113 14.172 8.981 -5.243 1.00 0.00 C ATOM 1755 CG2 VAL A 113 15.000 6.666 -4.790 1.00 0.00 C ATOM 0 H VAL A 113 12.656 6.228 -4.901 1.00 0.00 H new ATOM 0 HA VAL A 113 12.901 7.931 -7.181 1.00 0.00 H new ATOM 0 HB VAL A 113 15.387 7.803 -6.552 1.00 0.00 H new ATOM 0 HG11 VAL A 113 15.015 9.368 -4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 113 13.911 9.690 -6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 113 13.317 8.842 -4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.833 7.094 -4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 113 14.171 6.469 -4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 113 15.317 5.733 -5.256 1.00 0.00 H new ATOM 1765 N ASN A 114 13.149 6.044 -8.833 1.00 0.00 N ATOM 1766 CA ASN A 114 13.243 5.015 -9.871 1.00 0.00 C ATOM 1767 C ASN A 114 11.919 4.963 -10.626 1.00 0.00 C ATOM 1768 O ASN A 114 11.819 4.380 -11.703 1.00 0.00 O ATOM 1769 CB ASN A 114 13.572 3.608 -9.312 1.00 0.00 C ATOM 1770 CG ASN A 114 12.670 3.108 -8.175 1.00 0.00 C ATOM 1771 OD1 ASN A 114 13.127 2.366 -7.311 1.00 0.00 O ATOM 1772 ND2 ASN A 114 11.396 3.481 -8.157 1.00 0.00 N ATOM 0 H ASN A 114 12.461 6.765 -9.051 1.00 0.00 H new ATOM 0 HA ASN A 114 14.068 5.289 -10.529 1.00 0.00 H new ATOM 0 HB2 ASN A 114 13.520 2.892 -10.132 1.00 0.00 H new ATOM 0 HB3 ASN A 114 14.602 3.612 -8.957 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.778 3.150 -7.416 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.035 4.098 -8.884 1.00 0.00 H new ATOM 1779 N GLY A 115 10.898 5.574 -10.026 1.00 0.00 N ATOM 1780 CA GLY A 115 9.570 5.570 -10.599 1.00 0.00 C ATOM 1781 C GLY A 115 8.532 6.088 -9.621 1.00 0.00 C ATOM 1782 O GLY A 115 8.395 7.297 -9.435 1.00 0.00 O ATOM 0 H GLY A 115 10.974 6.077 -9.142 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.561 6.185 -11.499 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.309 4.557 -10.903 1.00 0.00 H new ATOM 1786 N THR A 116 7.812 5.171 -8.990 1.00 0.00 N ATOM 1787 CA THR A 116 6.741 5.505 -8.061 1.00 0.00 C ATOM 1788 C THR A 116 6.452 4.284 -7.182 1.00 0.00 C ATOM 1789 O THR A 116 7.061 3.234 -7.384 1.00 0.00 O ATOM 1790 CB THR A 116 5.456 5.941 -8.790 1.00 0.00 C ATOM 1791 OG1 THR A 116 5.723 6.239 -10.168 1.00 0.00 O ATOM 1792 CG2 THR A 116 4.868 7.168 -8.118 1.00 0.00 C ATOM 0 H THR A 116 7.955 4.168 -9.109 1.00 0.00 H new ATOM 0 HA THR A 116 7.067 6.348 -7.452 1.00 0.00 H new ATOM 0 HB THR A 116 4.745 5.117 -8.740 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.892 6.512 -10.611 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.960 7.469 -8.640 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.630 6.935 -7.080 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.592 7.982 -8.150 1.00 0.00 H new ATOM 1800 N VAL A 117 5.545 4.400 -6.213 1.00 0.00 N ATOM 1801 CA VAL A 117 5.282 3.276 -5.317 1.00 0.00 C ATOM 1802 C VAL A 117 4.010 2.558 -5.716 1.00 0.00 C ATOM 1803 O VAL A 117 2.905 3.078 -5.573 1.00 0.00 O ATOM 1804 CB VAL A 117 5.156 3.677 -3.816 1.00 0.00 C ATOM 1805 CG1 VAL A 117 6.499 4.062 -3.232 1.00 0.00 C ATOM 1806 CG2 VAL A 117 4.140 4.800 -3.600 1.00 0.00 C ATOM 0 H VAL A 117 4.993 5.238 -6.031 1.00 0.00 H new ATOM 0 HA VAL A 117 6.152 2.627 -5.418 1.00 0.00 H new ATOM 0 HB VAL A 117 4.790 2.795 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.375 4.336 -2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.184 3.218 -3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.906 4.910 -3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.088 5.044 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.448 5.682 -4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.159 4.475 -3.946 1.00 0.00 H new ATOM 1816 N GLU A 118 4.188 1.368 -6.250 1.00 0.00 N ATOM 1817 CA GLU A 118 3.083 0.474 -6.483 1.00 0.00 C ATOM 1818 C GLU A 118 3.050 -0.520 -5.343 1.00 0.00 C ATOM 1819 O GLU A 118 3.938 -1.361 -5.215 1.00 0.00 O ATOM 1820 CB GLU A 118 3.255 -0.258 -7.809 1.00 0.00 C ATOM 1821 CG GLU A 118 2.033 -1.057 -8.218 1.00 0.00 C ATOM 1822 CD GLU A 118 2.333 -2.063 -9.305 1.00 0.00 C ATOM 1823 OE1 GLU A 118 2.289 -1.694 -10.497 1.00 0.00 O ATOM 1824 OE2 GLU A 118 2.620 -3.233 -8.977 1.00 0.00 O1- ATOM 0 H GLU A 118 5.096 0.999 -6.531 1.00 0.00 H new ATOM 0 HA GLU A 118 2.150 1.036 -6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.483 0.468 -8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.111 -0.929 -7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.635 -1.577 -7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.256 -0.375 -8.564 1.00 0.00 H new ATOM 1831 N LEU A 119 2.039 -0.427 -4.511 1.00 0.00 N ATOM 1832 CA LEU A 119 1.998 -1.240 -3.318 1.00 0.00 C ATOM 1833 C LEU A 119 0.628 -1.858 -3.134 1.00 0.00 C ATOM 1834 O LEU A 119 -0.379 -1.319 -3.599 1.00 0.00 O ATOM 1835 CB LEU A 119 2.402 -0.400 -2.100 1.00 0.00 C ATOM 1836 CG LEU A 119 1.436 0.720 -1.706 1.00 0.00 C ATOM 1837 CD1 LEU A 119 0.596 0.287 -0.531 1.00 0.00 C ATOM 1838 CD2 LEU A 119 2.194 1.998 -1.381 1.00 0.00 C ATOM 0 H LEU A 119 1.242 0.197 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 119 2.711 -2.057 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 119 2.520 -1.068 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.379 0.042 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 119 0.779 0.925 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -0.088 1.090 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.024 -0.601 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.244 0.059 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 119 1.487 2.780 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.877 1.815 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 119 2.762 2.316 -2.255 1.00 0.00 H new ATOM 1850 N THR A 120 0.606 -2.995 -2.467 1.00 0.00 N ATOM 1851 CA THR A 120 -0.617 -3.742 -2.269 1.00 0.00 C ATOM 1852 C THR A 120 -1.153 -3.566 -0.853 1.00 0.00 C ATOM 1853 O THR A 120 -0.429 -3.756 0.126 1.00 0.00 O ATOM 1854 CB THR A 120 -0.388 -5.239 -2.550 1.00 0.00 C ATOM 1855 OG1 THR A 120 -0.073 -5.437 -3.934 1.00 0.00 O ATOM 1856 CG2 THR A 120 -1.614 -6.048 -2.180 1.00 0.00 C ATOM 0 H THR A 120 1.432 -3.424 -2.049 1.00 0.00 H new ATOM 0 HA THR A 120 -1.355 -3.351 -2.969 1.00 0.00 H new ATOM 0 HB THR A 120 0.449 -5.579 -1.939 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.073 -6.391 -4.103 1.00 0.00 H new ATOM 0 HG21 THR A 120 -1.430 -7.102 -2.387 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.829 -5.918 -1.119 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.466 -5.706 -2.767 1.00 0.00 H new ATOM 1864 N LEU A 121 -2.422 -3.197 -0.760 1.00 0.00 N ATOM 1865 CA LEU A 121 -3.095 -3.043 0.518 1.00 0.00 C ATOM 1866 C LEU A 121 -4.445 -3.739 0.467 1.00 0.00 C ATOM 1867 O LEU A 121 -5.243 -3.485 -0.431 1.00 0.00 O ATOM 1868 CB LEU A 121 -3.283 -1.558 0.852 1.00 0.00 C ATOM 1869 CG LEU A 121 -1.989 -0.763 1.009 1.00 0.00 C ATOM 1870 CD1 LEU A 121 -2.285 0.703 1.263 1.00 0.00 C ATOM 1871 CD2 LEU A 121 -1.145 -1.345 2.133 1.00 0.00 C ATOM 0 H LEU A 121 -3.012 -2.997 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.482 -3.496 1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.882 -1.097 0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.855 -1.479 1.776 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.425 -0.836 0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.348 1.250 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.848 1.111 0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.871 0.803 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -0.226 -0.768 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.704 -1.302 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.900 -2.382 1.904 1.00 0.00 H new ATOM 1883 N PRO A 122 -4.717 -4.654 1.399 1.00 0.00 N ATOM 1884 CA PRO A 122 -5.999 -5.336 1.456 1.00 0.00 C ATOM 1885 C PRO A 122 -7.069 -4.475 2.118 1.00 0.00 C ATOM 1886 O PRO A 122 -6.939 -4.081 3.279 1.00 0.00 O ATOM 1887 CB PRO A 122 -5.714 -6.593 2.295 1.00 0.00 C ATOM 1888 CG PRO A 122 -4.258 -6.537 2.658 1.00 0.00 C ATOM 1889 CD PRO A 122 -3.813 -5.114 2.452 1.00 0.00 C ATOM 0 HA PRO A 122 -6.385 -5.565 0.463 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -6.337 -6.613 3.189 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -5.939 -7.497 1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -4.105 -6.844 3.693 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -3.678 -7.218 2.035 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -3.913 -4.521 3.361 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -2.769 -5.055 2.146 1.00 0.00 H new ATOM 1897 N ILE A 123 -8.125 -4.191 1.377 1.00 0.00 N ATOM 1898 CA ILE A 123 -9.250 -3.450 1.908 1.00 0.00 C ATOM 1899 C ILE A 123 -10.327 -4.441 2.350 1.00 0.00 C ATOM 1900 O ILE A 123 -11.079 -4.987 1.540 1.00 0.00 O ATOM 1901 CB ILE A 123 -9.823 -2.436 0.873 1.00 0.00 C ATOM 1902 CG1 ILE A 123 -10.407 -3.130 -0.357 1.00 0.00 C ATOM 1903 CG2 ILE A 123 -8.742 -1.470 0.424 1.00 0.00 C ATOM 1904 CD1 ILE A 123 -11.087 -2.179 -1.310 1.00 0.00 C ATOM 0 H ILE A 123 -8.225 -4.465 0.400 1.00 0.00 H new ATOM 0 HA ILE A 123 -8.910 -2.864 2.762 1.00 0.00 H new ATOM 0 HB ILE A 123 -10.626 -1.897 1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -9.609 -3.653 -0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -11.124 -3.885 -0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -9.158 -0.768 -0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -8.364 -0.921 1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.926 -2.026 -0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.479 -2.735 -2.161 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.906 -1.674 -0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -10.368 -1.439 -1.661 1.00 0.00 H new ATOM 1916 N ASP A 124 -10.379 -4.729 3.632 1.00 0.00 N ATOM 1917 CA ASP A 124 -11.327 -5.716 4.091 1.00 0.00 C ATOM 1918 C ASP A 124 -12.484 -5.078 4.837 1.00 0.00 C ATOM 1919 O ASP A 124 -12.308 -4.298 5.773 1.00 0.00 O ATOM 1920 CB ASP A 124 -10.644 -6.787 4.955 1.00 0.00 C ATOM 1921 CG ASP A 124 -10.277 -6.315 6.347 1.00 0.00 C ATOM 1922 OD1 ASP A 124 -9.215 -5.675 6.504 1.00 0.00 O1- ATOM 1923 OD2 ASP A 124 -11.033 -6.615 7.298 1.00 0.00 O ATOM 0 H ASP A 124 -9.795 -4.308 4.355 1.00 0.00 H new ATOM 0 HA ASP A 124 -11.734 -6.205 3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -11.306 -7.649 5.038 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.741 -7.126 4.448 1.00 0.00 H new ATOM 1928 N PHE A 125 -13.668 -5.389 4.356 1.00 0.00 N ATOM 1929 CA PHE A 125 -14.898 -5.151 5.073 1.00 0.00 C ATOM 1930 C PHE A 125 -15.443 -6.519 5.436 1.00 0.00 C ATOM 1931 O PHE A 125 -15.321 -7.440 4.636 1.00 0.00 O ATOM 1932 CB PHE A 125 -15.892 -4.380 4.194 1.00 0.00 C ATOM 1933 CG PHE A 125 -15.362 -3.071 3.684 1.00 0.00 C ATOM 1934 CD1 PHE A 125 -15.457 -1.921 4.447 1.00 0.00 C ATOM 1935 CD2 PHE A 125 -14.767 -2.998 2.435 1.00 0.00 C ATOM 1936 CE1 PHE A 125 -14.968 -0.719 3.971 1.00 0.00 C ATOM 1937 CE2 PHE A 125 -14.277 -1.800 1.955 1.00 0.00 C ATOM 1938 CZ PHE A 125 -14.377 -0.659 2.724 1.00 0.00 C ATOM 0 H PHE A 125 -13.803 -5.821 3.442 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.732 -4.545 5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -16.171 -5.004 3.345 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.801 -4.195 4.766 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -15.917 -1.963 5.423 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -14.686 -3.889 1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -15.048 0.173 4.574 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -13.816 -1.756 0.979 1.00 0.00 H new ATOM 0 HZ PHE A 125 -13.994 0.280 2.352 1.00 0.00 H new ATOM 1948 N SER A 126 -16.017 -6.669 6.619 1.00 0.00 N ATOM 1949 CA SER A 126 -16.402 -7.992 7.111 1.00 0.00 C ATOM 1950 C SER A 126 -17.369 -8.690 6.153 1.00 0.00 C ATOM 1951 O SER A 126 -18.565 -8.396 6.132 1.00 0.00 O ATOM 1952 CB SER A 126 -17.031 -7.850 8.495 1.00 0.00 C ATOM 1953 OG SER A 126 -16.178 -7.111 9.357 1.00 0.00 O ATOM 0 H SER A 126 -16.227 -5.901 7.256 1.00 0.00 H new ATOM 0 HA SER A 126 -15.508 -8.612 7.175 1.00 0.00 H new ATOM 0 HB2 SER A 126 -17.996 -7.350 8.413 1.00 0.00 H new ATOM 0 HB3 SER A 126 -17.219 -8.837 8.918 1.00 0.00 H new ATOM 0 HG SER A 126 -16.597 -7.028 10.239 1.00 0.00 H new ATOM 1959 N LEU A 127 -16.836 -9.634 5.381 1.00 0.00 N ATOM 1960 CA LEU A 127 -17.604 -10.321 4.348 1.00 0.00 C ATOM 1961 C LEU A 127 -18.349 -11.504 4.943 1.00 0.00 C ATOM 1962 O LEU A 127 -18.019 -12.657 4.682 1.00 0.00 O ATOM 1963 CB LEU A 127 -16.676 -10.796 3.220 1.00 0.00 C ATOM 1964 CG LEU A 127 -17.235 -10.655 1.797 1.00 0.00 C ATOM 1965 CD1 LEU A 127 -16.168 -10.970 0.769 1.00 0.00 C ATOM 1966 CD2 LEU A 127 -18.440 -11.543 1.568 1.00 0.00 C ATOM 0 H LEU A 127 -15.866 -9.942 5.453 1.00 0.00 H new ATOM 0 HA LEU A 127 -18.330 -9.621 3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -15.743 -10.236 3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -16.431 -11.844 3.393 1.00 0.00 H new ATOM 0 HG LEU A 127 -17.554 -9.619 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -16.585 -10.864 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -15.332 -10.280 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.818 -11.993 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -18.801 -11.410 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -18.158 -12.585 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -19.229 -11.274 2.271 1.00 0.00 H new ATOM 1978 N ARG A 128 -19.346 -11.204 5.750 1.00 0.00 N ATOM 1979 CA ARG A 128 -20.191 -12.230 6.337 1.00 0.00 C ATOM 1980 C ARG A 128 -21.480 -12.376 5.537 1.00 0.00 C ATOM 1981 O ARG A 128 -22.507 -12.802 6.055 1.00 0.00 O ATOM 1982 CB ARG A 128 -20.473 -11.919 7.818 1.00 0.00 C ATOM 1983 CG ARG A 128 -20.633 -10.436 8.140 1.00 0.00 C ATOM 1984 CD ARG A 128 -21.913 -9.855 7.568 1.00 0.00 C ATOM 1985 NE ARG A 128 -23.105 -10.433 8.187 1.00 0.00 N ATOM 1986 CZ ARG A 128 -24.314 -10.427 7.629 1.00 0.00 C ATOM 1987 NH1 ARG A 128 -24.494 -9.918 6.414 1.00 0.00 N1+ ATOM 1988 NH2 ARG A 128 -25.346 -10.941 8.285 1.00 0.00 N ATOM 0 H ARG A 128 -19.594 -10.251 6.017 1.00 0.00 H new ATOM 0 HA ARG A 128 -19.665 -13.184 6.298 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -21.381 -12.442 8.118 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -19.659 -12.322 8.421 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -20.626 -10.299 9.221 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -19.779 -9.887 7.744 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -21.917 -8.775 7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -21.942 -10.032 6.493 1.00 0.00 H new ATOM 0 HE ARG A 128 -23.004 -10.868 9.104 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -23.703 -9.528 5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -25.423 -9.917 5.994 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -25.212 -11.339 9.214 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -26.273 -10.938 7.860 1.00 0.00 H new ATOM 2002 N GLY A 129 -21.407 -12.017 4.264 1.00 0.00 N ATOM 2003 CA GLY A 129 -22.555 -12.110 3.391 1.00 0.00 C ATOM 2004 C GLY A 129 -22.376 -11.265 2.148 1.00 0.00 C ATOM 2005 O GLY A 129 -21.337 -10.625 1.990 1.00 0.00 O ATOM 0 H GLY A 129 -20.562 -11.659 3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -22.713 -13.150 3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -23.448 -11.787 3.926 1.00 0.00 H new ATOM 2009 N ALA A 130 -23.374 -11.292 1.262 1.00 0.00 N ATOM 2010 CA ALA A 130 -23.397 -10.477 0.039 1.00 0.00 C ATOM 2011 C ALA A 130 -22.439 -11.003 -1.033 1.00 0.00 C ATOM 2012 O ALA A 130 -22.831 -11.175 -2.186 1.00 0.00 O ATOM 2013 CB ALA A 130 -23.109 -9.013 0.347 1.00 0.00 C ATOM 0 H ALA A 130 -24.197 -11.884 1.371 1.00 0.00 H new ATOM 0 HA ALA A 130 -24.406 -10.553 -0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -23.133 -8.435 -0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -23.864 -8.630 1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -22.124 -8.925 0.805 1.00 0.00 H new ATOM 2019 N GLY A 131 -21.190 -11.253 -0.655 1.00 0.00 N ATOM 2020 CA GLY A 131 -20.213 -11.763 -1.601 1.00 0.00 C ATOM 2021 C GLY A 131 -20.484 -13.203 -1.991 1.00 0.00 C ATOM 2022 O GLY A 131 -20.084 -13.652 -3.067 1.00 0.00 O ATOM 0 H GLY A 131 -20.836 -11.112 0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -20.218 -11.140 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -19.216 -11.689 -1.166 1.00 0.00 H new ATOM 2026 N PHE A 132 -21.159 -13.925 -1.109 1.00 0.00 N ATOM 2027 CA PHE A 132 -21.525 -15.305 -1.365 1.00 0.00 C ATOM 2028 C PHE A 132 -22.984 -15.529 -0.985 1.00 0.00 C ATOM 2029 O PHE A 132 -23.333 -15.326 0.194 1.00 0.00 O ATOM 2030 CB PHE A 132 -20.592 -16.279 -0.620 1.00 0.00 C ATOM 2031 CG PHE A 132 -20.496 -16.060 0.871 1.00 0.00 C ATOM 2032 CD1 PHE A 132 -19.668 -15.077 1.391 1.00 0.00 C ATOM 2033 CD2 PHE A 132 -21.231 -16.842 1.750 1.00 0.00 C ATOM 2034 CE1 PHE A 132 -19.576 -14.876 2.755 1.00 0.00 C ATOM 2035 CE2 PHE A 132 -21.143 -16.645 3.114 1.00 0.00 C ATOM 2036 CZ PHE A 132 -20.316 -15.661 3.618 1.00 0.00 C ATOM 2037 OXT PHE A 132 -23.781 -15.889 -1.874 1.00 0.00 O ATOM 0 H PHE A 132 -21.465 -13.572 -0.203 1.00 0.00 H new ATOM 0 HA PHE A 132 -21.409 -15.507 -2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -20.936 -17.297 -0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -19.593 -16.200 -1.048 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -19.087 -14.460 0.721 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -21.880 -17.614 1.363 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -18.927 -14.107 3.146 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -21.721 -17.261 3.787 1.00 0.00 H new ATOM 0 HZ PHE A 132 -20.248 -15.505 4.685 1.00 0.00 H new TER 2047 PHE A 132