USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 907 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 GLN : amide:sc= -5.32! C(o=-14!,f=-21!) USER MOD Set 1.2: A 104 GLN :FLIP amide:sc= -8.22! C(o=-15!,f=-14!) USER MOD Set 2.1: A 98 ASN : amide:sc= 0.835 K(o=2.1,f=-0.45) USER MOD Set 2.2: A 99 SER OG : rot 79:sc= 1.23 USER MOD Set 3.1: A 62 THR OG1 : rot 180:sc= 0.649 USER MOD Set 3.2: A 64 THR OG1 : rot -71:sc= 0.71 USER MOD Single : A 8 SER OG : rot 170:sc= -0.909 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.193 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 71:sc= -0.129 USER MOD Single : A 39 GLN : amide:sc= -0.0743 X(o=-0.074,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc=-0.000561 X(o=-0.00056,f=-0.00056) USER MOD Single : A 44 SER OG : rot 180:sc=-0.00124 USER MOD Single : A 45 ASN : amide:sc= -0.0769 X(o=-0.077,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -109:sc= -6.24! (180deg=-7.21!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.0122 K(o=-0.012,f=-0.85) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= -1.39! USER MOD Single : A 84 ASN :FLIP amide:sc= -4.46! F(o=-5.3,f=-4.5!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.416 X(o=-0.42,f=0) USER MOD Single : A 100 THR OG1 : rot 93:sc= 0.387 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 132:sc= -0.135 (180deg=-0.573) USER MOD Single : A 113 LYS NZ :NH3+ -113:sc= 0.292 (180deg=-0.25) USER MOD ----------------------------------------------------------------- ATOM 14 N ARG A 2 7.299 4.377 -13.176 1.00 0.00 N ATOM 15 CA ARG A 2 7.622 4.530 -11.762 1.00 0.00 C ATOM 16 C ARG A 2 7.077 3.360 -10.951 1.00 0.00 C ATOM 17 O ARG A 2 6.512 2.419 -11.509 1.00 0.00 O ATOM 18 CB ARG A 2 7.061 5.852 -11.228 1.00 0.00 C ATOM 19 CG ARG A 2 5.612 6.103 -11.614 1.00 0.00 C ATOM 20 CD ARG A 2 5.503 6.781 -12.970 1.00 0.00 C ATOM 21 NE ARG A 2 6.285 8.014 -13.031 1.00 0.00 N ATOM 22 CZ ARG A 2 6.552 8.669 -14.158 1.00 0.00 C ATOM 23 NH1 ARG A 2 6.104 8.212 -15.321 1.00 0.00 N ATOM 24 NH2 ARG A 2 7.268 9.784 -14.124 1.00 0.00 N ATOM 0 HA ARG A 2 8.707 4.541 -11.660 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.144 5.859 -10.141 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.674 6.673 -11.600 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.072 5.157 -11.635 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.136 6.725 -10.856 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.845 6.096 -13.746 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.457 7.004 -13.180 1.00 0.00 H new ATOM 0 HE ARG A 2 6.648 8.395 -12.157 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.552 7.355 -15.354 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.312 8.718 -16.182 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.615 10.140 -13.233 1.00 0.00 H new ATOM 0 HH22 ARG A 2 7.472 10.285 -14.988 1.00 0.00 H new ATOM 38 N LEU A 3 7.247 3.423 -9.629 1.00 0.00 N ATOM 39 CA LEU A 3 6.768 2.366 -8.740 1.00 0.00 C ATOM 40 C LEU A 3 5.351 1.953 -9.113 1.00 0.00 C ATOM 41 O LEU A 3 4.409 2.726 -8.954 1.00 0.00 O ATOM 42 CB LEU A 3 6.803 2.840 -7.287 1.00 0.00 C ATOM 43 CG LEU A 3 7.013 1.738 -6.250 1.00 0.00 C ATOM 44 CD1 LEU A 3 8.365 1.069 -6.448 1.00 0.00 C ATOM 45 CD2 LEU A 3 6.893 2.305 -4.841 1.00 0.00 C ATOM 0 H LEU A 3 7.713 4.195 -9.152 1.00 0.00 H new ATOM 0 HA LEU A 3 7.425 1.503 -8.850 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.601 3.575 -7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.867 3.352 -7.066 1.00 0.00 H new ATOM 0 HG LEU A 3 6.237 0.984 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.497 0.287 -5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.411 0.630 -7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.157 1.810 -6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.045 1.507 -4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.647 3.078 -4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.901 2.735 -4.705 1.00 0.00 H new ATOM 57 N GLU A 4 5.205 0.738 -9.621 1.00 0.00 N ATOM 58 CA GLU A 4 3.900 0.243 -10.023 1.00 0.00 C ATOM 59 C GLU A 4 3.864 -1.280 -10.033 1.00 0.00 C ATOM 60 O GLU A 4 4.902 -1.939 -10.072 1.00 0.00 O ATOM 61 CB GLU A 4 3.542 0.780 -11.410 1.00 0.00 C ATOM 62 CG GLU A 4 4.456 0.270 -12.513 1.00 0.00 C ATOM 63 CD GLU A 4 4.722 1.316 -13.579 1.00 0.00 C ATOM 64 OE1 GLU A 4 4.690 2.520 -13.250 1.00 0.00 O ATOM 65 OE2 GLU A 4 4.960 0.929 -14.742 1.00 0.00 O ATOM 0 H GLU A 4 5.972 0.080 -9.764 1.00 0.00 H new ATOM 0 HA GLU A 4 3.168 0.595 -9.296 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.514 0.503 -11.644 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.582 1.869 -11.391 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.403 -0.048 -12.077 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.006 -0.609 -12.975 1.00 0.00 H new ATOM 72 N GLY A 5 2.657 -1.825 -9.995 1.00 0.00 N ATOM 73 CA GLY A 5 2.485 -3.264 -9.999 1.00 0.00 C ATOM 74 C GLY A 5 1.203 -3.672 -9.312 1.00 0.00 C ATOM 75 O GLY A 5 0.236 -2.912 -9.296 1.00 0.00 O ATOM 0 H GLY A 5 1.788 -1.292 -9.961 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.480 -3.628 -11.027 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.332 -3.734 -9.499 1.00 0.00 H new ATOM 79 N TRP A 6 1.190 -4.863 -8.733 1.00 0.00 N ATOM 80 CA TRP A 6 0.009 -5.345 -8.035 1.00 0.00 C ATOM 81 C TRP A 6 0.327 -5.659 -6.584 1.00 0.00 C ATOM 82 O TRP A 6 1.224 -6.448 -6.290 1.00 0.00 O ATOM 83 CB TRP A 6 -0.561 -6.586 -8.718 1.00 0.00 C ATOM 84 CG TRP A 6 -0.792 -6.381 -10.175 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.149 -6.434 -11.149 1.00 0.00 C ATOM 86 CD2 TRP A 6 -2.032 -6.082 -10.822 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.420 -6.176 -12.368 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.762 -5.961 -12.196 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.344 -5.903 -10.374 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.756 -5.672 -13.129 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.330 -5.617 -11.301 1.00 0.00 C ATOM 92 CH2 TRP A 6 -4.031 -5.505 -12.663 1.00 0.00 C ATOM 0 H TRP A 6 1.979 -5.510 -8.732 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.738 -4.552 -8.068 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.124 -7.422 -8.576 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.501 -6.860 -8.240 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.195 -6.648 -10.988 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.075 -6.148 -13.259 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.583 -5.986 -9.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.528 -5.583 -14.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.348 -5.478 -10.968 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.824 -5.282 -13.361 1.00 0.00 H new ATOM 103 N LEU A 7 -0.424 -5.050 -5.682 1.00 0.00 N ATOM 104 CA LEU A 7 -0.237 -5.277 -4.261 1.00 0.00 C ATOM 105 C LEU A 7 -1.517 -5.830 -3.671 1.00 0.00 C ATOM 106 O LEU A 7 -2.607 -5.551 -4.166 1.00 0.00 O ATOM 107 CB LEU A 7 0.170 -3.991 -3.552 1.00 0.00 C ATOM 108 CG LEU A 7 1.545 -3.450 -3.945 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.676 -1.996 -3.540 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.646 -4.285 -3.310 1.00 0.00 C ATOM 0 H LEU A 7 -1.170 -4.393 -5.910 1.00 0.00 H new ATOM 0 HA LEU A 7 0.567 -5.999 -4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.579 -3.226 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.158 -4.166 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 7 1.647 -3.515 -5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.660 -1.626 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.907 -1.408 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.555 -1.907 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.618 -3.886 -3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.549 -4.251 -2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.561 -5.317 -3.649 1.00 0.00 H new ATOM 122 N SER A 8 -1.382 -6.631 -2.632 1.00 0.00 N ATOM 123 CA SER A 8 -2.540 -7.258 -2.009 1.00 0.00 C ATOM 124 C SER A 8 -3.120 -6.396 -0.894 1.00 0.00 C ATOM 125 O SER A 8 -2.392 -5.861 -0.058 1.00 0.00 O ATOM 126 CB SER A 8 -2.160 -8.635 -1.463 1.00 0.00 C ATOM 127 OG SER A 8 -2.579 -9.664 -2.341 1.00 0.00 O ATOM 0 H SER A 8 -0.488 -6.865 -2.200 1.00 0.00 H new ATOM 0 HA SER A 8 -3.308 -7.369 -2.775 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.080 -8.689 -1.323 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.616 -8.780 -0.484 1.00 0.00 H new ATOM 0 HG SER A 8 -2.188 -10.516 -2.056 1.00 0.00 H new ATOM 133 N LEU A 9 -4.443 -6.277 -0.896 1.00 0.00 N ATOM 134 CA LEU A 9 -5.149 -5.491 0.105 1.00 0.00 C ATOM 135 C LEU A 9 -6.192 -6.349 0.818 1.00 0.00 C ATOM 136 O LEU A 9 -6.649 -7.357 0.277 1.00 0.00 O ATOM 137 CB LEU A 9 -5.820 -4.284 -0.552 1.00 0.00 C ATOM 138 CG LEU A 9 -4.858 -3.234 -1.111 1.00 0.00 C ATOM 139 CD1 LEU A 9 -4.620 -3.466 -2.595 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.397 -1.831 -0.867 1.00 0.00 C ATOM 0 H LEU A 9 -5.051 -6.719 -1.586 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.428 -5.137 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.458 -4.638 -1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.470 -3.806 0.180 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.904 -3.329 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.933 -2.710 -2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.189 -4.456 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.567 -3.399 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.699 -1.098 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.364 -1.722 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.515 -1.668 0.204 1.00 0.00 H new ATOM 152 N PRO A 10 -6.584 -5.965 2.044 1.00 0.00 N ATOM 153 CA PRO A 10 -7.576 -6.712 2.824 1.00 0.00 C ATOM 154 C PRO A 10 -8.928 -6.794 2.122 1.00 0.00 C ATOM 155 O PRO A 10 -9.623 -5.790 1.971 1.00 0.00 O ATOM 156 CB PRO A 10 -7.699 -5.912 4.127 1.00 0.00 C ATOM 157 CG PRO A 10 -7.150 -4.561 3.809 1.00 0.00 C ATOM 158 CD PRO A 10 -6.093 -4.781 2.767 1.00 0.00 C ATOM 0 HA PRO A 10 -7.269 -7.747 2.975 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.737 -5.849 4.454 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.139 -6.385 4.934 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.932 -3.899 3.438 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.730 -4.091 4.698 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.990 -3.919 2.108 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.115 -4.958 3.215 1.00 0.00 H new ATOM 166 N VAL A 11 -9.293 -7.999 1.693 1.00 0.00 N ATOM 167 CA VAL A 11 -10.561 -8.217 1.005 1.00 0.00 C ATOM 168 C VAL A 11 -11.468 -9.153 1.799 1.00 0.00 C ATOM 169 O VAL A 11 -11.067 -9.706 2.822 1.00 0.00 O ATOM 170 CB VAL A 11 -10.357 -8.804 -0.410 1.00 0.00 C ATOM 171 CG1 VAL A 11 -10.566 -7.730 -1.464 1.00 0.00 C ATOM 172 CG2 VAL A 11 -8.978 -9.437 -0.550 1.00 0.00 C ATOM 0 H VAL A 11 -8.728 -8.840 1.810 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.033 -7.238 0.917 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.099 -9.588 -0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.419 -8.159 -2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.579 -7.336 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.850 -6.923 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.864 -9.841 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.212 -8.682 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.871 -10.241 0.178 1.00 0.00 H new ATOM 319 N TRP A 20 -6.595 -11.885 0.487 1.00 0.00 N ATOM 320 CA TRP A 20 -5.836 -10.826 -0.164 1.00 0.00 C ATOM 321 C TRP A 20 -6.239 -10.679 -1.625 1.00 0.00 C ATOM 322 O TRP A 20 -6.710 -11.626 -2.253 1.00 0.00 O ATOM 323 CB TRP A 20 -4.336 -11.107 -0.076 1.00 0.00 C ATOM 324 CG TRP A 20 -3.815 -11.145 1.327 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.300 -12.224 1.983 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.755 -10.048 2.247 1.00 0.00 C ATOM 327 NE1 TRP A 20 -2.919 -11.865 3.255 1.00 0.00 N ATOM 328 CE2 TRP A 20 -3.190 -10.535 3.440 1.00 0.00 C ATOM 329 CE3 TRP A 20 -4.123 -8.702 2.176 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -2.987 -9.724 4.554 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -3.920 -7.897 3.282 1.00 0.00 C ATOM 332 CH2 TRP A 20 -3.356 -8.410 4.457 1.00 0.00 C ATOM 0 HA TRP A 20 -6.060 -9.895 0.356 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.125 -12.061 -0.559 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.798 -10.341 -0.634 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.205 -13.215 1.565 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.503 -12.488 3.947 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.558 -8.298 1.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.554 -10.118 5.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -4.201 -6.855 3.239 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.209 -7.755 5.303 1.00 0.00 H new ATOM 343 N VAL A 21 -6.035 -9.481 -2.158 1.00 0.00 N ATOM 344 CA VAL A 21 -6.359 -9.193 -3.550 1.00 0.00 C ATOM 345 C VAL A 21 -5.369 -8.185 -4.116 1.00 0.00 C ATOM 346 O VAL A 21 -5.296 -7.049 -3.650 1.00 0.00 O ATOM 347 CB VAL A 21 -7.798 -8.649 -3.693 1.00 0.00 C ATOM 348 CG1 VAL A 21 -7.935 -7.278 -3.043 1.00 0.00 C ATOM 349 CG2 VAL A 21 -8.207 -8.596 -5.155 1.00 0.00 C ATOM 0 H VAL A 21 -5.645 -8.690 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.292 -10.126 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.469 -9.333 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.958 -6.921 -3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.695 -7.353 -1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.250 -6.578 -3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.223 -8.210 -5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.527 -7.941 -5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.165 -9.598 -5.581 1.00 0.00 H new ATOM 359 N LYS A 22 -4.584 -8.600 -5.106 1.00 0.00 N ATOM 360 CA LYS A 22 -3.598 -7.711 -5.687 1.00 0.00 C ATOM 361 C LYS A 22 -4.237 -6.709 -6.644 1.00 0.00 C ATOM 362 O LYS A 22 -4.677 -7.065 -7.735 1.00 0.00 O ATOM 363 CB LYS A 22 -2.506 -8.506 -6.399 1.00 0.00 C ATOM 364 CG LYS A 22 -2.957 -9.139 -7.699 1.00 0.00 C ATOM 365 CD LYS A 22 -1.917 -10.100 -8.232 1.00 0.00 C ATOM 366 CE LYS A 22 -1.483 -9.700 -9.629 1.00 0.00 C ATOM 367 NZ LYS A 22 -0.870 -10.836 -10.371 1.00 0.00 N ATOM 0 H LYS A 22 -4.614 -9.534 -5.514 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.145 -7.148 -4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.663 -7.846 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.146 -9.288 -5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.897 -9.668 -7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.149 -8.361 -8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.053 -10.114 -7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.323 -11.111 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.345 -9.328 -10.183 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.767 -8.881 -9.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.588 -10.519 -11.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.032 -11.175 -9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.561 -11.609 -10.455 1.00 0.00 H new ATOM 381 N LYS A 23 -4.264 -5.449 -6.231 1.00 0.00 N ATOM 382 CA LYS A 23 -4.818 -4.387 -7.055 1.00 0.00 C ATOM 383 C LYS A 23 -3.680 -3.602 -7.684 1.00 0.00 C ATOM 384 O LYS A 23 -2.630 -3.422 -7.069 1.00 0.00 O ATOM 385 CB LYS A 23 -5.704 -3.457 -6.227 1.00 0.00 C ATOM 386 CG LYS A 23 -6.810 -4.180 -5.478 1.00 0.00 C ATOM 387 CD LYS A 23 -7.779 -4.858 -6.436 1.00 0.00 C ATOM 388 CE LYS A 23 -9.223 -4.682 -5.991 1.00 0.00 C ATOM 389 NZ LYS A 23 -10.053 -4.029 -7.042 1.00 0.00 N ATOM 0 H LYS A 23 -3.907 -5.138 -5.327 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.437 -4.831 -7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.083 -2.919 -5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.150 -2.711 -6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.374 -4.925 -4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.351 -3.471 -4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.653 -4.443 -7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.544 -5.921 -6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.648 -5.655 -5.745 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.252 -4.083 -5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.030 -3.927 -6.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.663 -3.090 -7.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.047 -4.613 -7.902 1.00 0.00 H new ATOM 403 N TYR A 24 -3.874 -3.152 -8.913 1.00 0.00 N ATOM 404 CA TYR A 24 -2.833 -2.410 -9.603 1.00 0.00 C ATOM 405 C TYR A 24 -2.561 -1.073 -8.928 1.00 0.00 C ATOM 406 O TYR A 24 -3.325 -0.119 -9.075 1.00 0.00 O ATOM 407 CB TYR A 24 -3.185 -2.191 -11.072 1.00 0.00 C ATOM 408 CG TYR A 24 -1.968 -2.172 -11.971 1.00 0.00 C ATOM 409 CD1 TYR A 24 -0.784 -1.574 -11.550 1.00 0.00 C ATOM 410 CD2 TYR A 24 -1.996 -2.756 -13.229 1.00 0.00 C ATOM 411 CE1 TYR A 24 0.334 -1.558 -12.359 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.880 -2.744 -14.044 1.00 0.00 C ATOM 413 CZ TYR A 24 0.283 -2.144 -13.606 1.00 0.00 C ATOM 414 OH TYR A 24 1.394 -2.131 -14.415 1.00 0.00 O ATOM 0 H TYR A 24 -4.732 -3.286 -9.448 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.926 -3.013 -9.551 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.861 -2.980 -11.400 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.722 -1.248 -11.175 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.739 -1.115 -10.574 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.904 -3.227 -13.577 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.245 -1.089 -12.017 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.918 -3.203 -15.021 1.00 0.00 H new ATOM 0 HH TYR A 24 1.190 -2.587 -15.258 1.00 0.00 H new ATOM 424 N VAL A 25 -1.451 -1.013 -8.201 1.00 0.00 N ATOM 425 CA VAL A 25 -1.050 0.205 -7.514 1.00 0.00 C ATOM 426 C VAL A 25 0.114 0.860 -8.244 1.00 0.00 C ATOM 427 O VAL A 25 1.105 0.202 -8.559 1.00 0.00 O ATOM 428 CB VAL A 25 -0.628 -0.068 -6.058 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.504 1.234 -5.284 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.611 -1.011 -5.379 1.00 0.00 C ATOM 0 H VAL A 25 -0.812 -1.798 -8.073 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.915 0.868 -7.507 1.00 0.00 H new ATOM 0 HB VAL A 25 0.349 -0.551 -6.070 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.205 1.020 -4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.247 1.868 -5.756 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.465 1.749 -5.282 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.293 -1.190 -4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.604 -0.562 -5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.640 -1.957 -5.920 1.00 0.00 H new ATOM 440 N ILE A 26 -0.009 2.151 -8.513 1.00 0.00 N ATOM 441 CA ILE A 26 1.045 2.876 -9.206 1.00 0.00 C ATOM 442 C ILE A 26 1.338 4.203 -8.520 1.00 0.00 C ATOM 443 O ILE A 26 0.496 5.099 -8.492 1.00 0.00 O ATOM 444 CB ILE A 26 0.674 3.141 -10.679 1.00 0.00 C ATOM 445 CG1 ILE A 26 0.064 1.887 -11.310 1.00 0.00 C ATOM 446 CG2 ILE A 26 1.898 3.596 -11.463 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.213 2.025 -12.793 1.00 0.00 C ATOM 0 H ILE A 26 -0.822 2.715 -8.264 1.00 0.00 H new ATOM 0 HA ILE A 26 1.935 2.248 -9.173 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.069 3.938 -10.712 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.740 1.046 -11.152 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.867 1.649 -10.796 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.618 3.779 -12.501 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.289 4.514 -11.026 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.663 2.821 -11.425 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.644 1.098 -13.170 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.913 2.844 -12.958 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.719 2.232 -13.319 1.00 0.00 H new ATOM 459 N VAL A 27 2.543 4.323 -7.975 1.00 0.00 N ATOM 460 CA VAL A 27 2.949 5.543 -7.297 1.00 0.00 C ATOM 461 C VAL A 27 3.550 6.528 -8.293 1.00 0.00 C ATOM 462 O VAL A 27 4.683 6.358 -8.740 1.00 0.00 O ATOM 463 CB VAL A 27 3.984 5.258 -6.192 1.00 0.00 C ATOM 464 CG1 VAL A 27 4.194 6.490 -5.326 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.550 4.070 -5.346 1.00 0.00 C ATOM 0 H VAL A 27 3.253 3.591 -7.990 1.00 0.00 H new ATOM 0 HA VAL A 27 2.057 5.972 -6.840 1.00 0.00 H new ATOM 0 HB VAL A 27 4.934 5.009 -6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.928 6.269 -4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.555 7.312 -5.944 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.250 6.773 -4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.294 3.884 -4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.588 4.286 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.457 3.187 -5.979 1.00 0.00 H new ATOM 475 N SER A 28 2.782 7.552 -8.644 1.00 0.00 N ATOM 476 CA SER A 28 3.240 8.557 -9.595 1.00 0.00 C ATOM 477 C SER A 28 3.949 9.703 -8.886 1.00 0.00 C ATOM 478 O SER A 28 3.959 9.778 -7.658 1.00 0.00 O ATOM 479 CB SER A 28 2.059 9.092 -10.408 1.00 0.00 C ATOM 480 OG SER A 28 1.670 8.170 -11.411 1.00 0.00 O ATOM 0 H SER A 28 1.840 7.708 -8.285 1.00 0.00 H new ATOM 0 HA SER A 28 3.953 8.083 -10.269 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.217 9.289 -9.745 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.331 10.042 -10.869 1.00 0.00 H new ATOM 0 HG SER A 28 0.913 8.535 -11.915 1.00 0.00 H new ATOM 486 N SER A 29 4.545 10.596 -9.672 1.00 0.00 N ATOM 487 CA SER A 29 5.261 11.744 -9.122 1.00 0.00 C ATOM 488 C SER A 29 4.434 12.453 -8.053 1.00 0.00 C ATOM 489 O SER A 29 3.346 12.957 -8.329 1.00 0.00 O ATOM 490 CB SER A 29 5.620 12.727 -10.238 1.00 0.00 C ATOM 491 OG SER A 29 6.911 12.461 -10.758 1.00 0.00 O ATOM 0 H SER A 29 4.546 10.547 -10.691 1.00 0.00 H new ATOM 0 HA SER A 29 6.175 11.376 -8.657 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.882 12.660 -11.037 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.582 13.747 -9.854 1.00 0.00 H new ATOM 0 HG SER A 29 7.115 13.102 -11.471 1.00 0.00 H new ATOM 497 N LYS A 30 4.960 12.478 -6.829 1.00 0.00 N ATOM 498 CA LYS A 30 4.284 13.118 -5.700 1.00 0.00 C ATOM 499 C LYS A 30 2.797 12.761 -5.654 1.00 0.00 C ATOM 500 O LYS A 30 1.973 13.558 -5.205 1.00 0.00 O ATOM 501 CB LYS A 30 4.468 14.642 -5.756 1.00 0.00 C ATOM 502 CG LYS A 30 3.548 15.354 -6.741 1.00 0.00 C ATOM 503 CD LYS A 30 2.791 16.493 -6.076 1.00 0.00 C ATOM 504 CE LYS A 30 3.397 17.845 -6.421 1.00 0.00 C ATOM 505 NZ LYS A 30 2.549 18.603 -7.381 1.00 0.00 N ATOM 0 H LYS A 30 5.859 12.059 -6.592 1.00 0.00 H new ATOM 0 HA LYS A 30 4.742 12.740 -4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.300 15.052 -4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.502 14.861 -6.021 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.136 15.743 -7.572 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.839 14.640 -7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.748 16.470 -6.391 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.800 16.355 -4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.525 18.429 -5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.389 17.700 -6.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.996 19.518 -7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.448 18.057 -8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.610 18.764 -6.963 1.00 0.00 H new ATOM 519 N LYS A 31 2.462 11.561 -6.119 1.00 0.00 N ATOM 520 CA LYS A 31 1.075 11.110 -6.126 1.00 0.00 C ATOM 521 C LYS A 31 0.991 9.586 -6.172 1.00 0.00 C ATOM 522 O LYS A 31 1.908 8.916 -6.645 1.00 0.00 O ATOM 523 CB LYS A 31 0.329 11.707 -7.321 1.00 0.00 C ATOM 524 CG LYS A 31 -1.184 11.644 -7.189 1.00 0.00 C ATOM 525 CD LYS A 31 -1.875 12.142 -8.447 1.00 0.00 C ATOM 526 CE LYS A 31 -1.856 13.659 -8.530 1.00 0.00 C ATOM 527 NZ LYS A 31 -1.816 14.139 -9.939 1.00 0.00 N ATOM 0 H LYS A 31 3.129 10.886 -6.494 1.00 0.00 H new ATOM 0 HA LYS A 31 0.607 11.452 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.631 12.747 -7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.628 11.179 -8.226 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.490 10.618 -6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.501 12.245 -6.337 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.382 11.722 -9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.906 11.789 -8.461 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.740 14.060 -8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.988 14.041 -7.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.804 15.179 -9.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.959 13.777 -10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.657 13.796 -10.446 1.00 0.00 H new ATOM 541 N ILE A 32 -0.120 9.048 -5.681 1.00 0.00 N ATOM 542 CA ILE A 32 -0.333 7.605 -5.669 1.00 0.00 C ATOM 543 C ILE A 32 -1.664 7.252 -6.323 1.00 0.00 C ATOM 544 O ILE A 32 -2.703 7.800 -5.961 1.00 0.00 O ATOM 545 CB ILE A 32 -0.319 7.044 -4.235 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.904 7.557 -3.474 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.337 5.522 -4.265 1.00 0.00 C ATOM 548 CD1 ILE A 32 1.007 7.024 -2.061 1.00 0.00 C ATOM 0 H ILE A 32 -0.888 9.590 -5.285 1.00 0.00 H new ATOM 0 HA ILE A 32 0.485 7.157 -6.232 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.213 7.388 -3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.805 7.283 -4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.870 8.646 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.327 5.138 -3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.238 5.179 -4.773 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.541 5.158 -4.798 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.898 7.430 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.124 7.321 -1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.073 5.936 -2.086 1.00 0.00 H new ATOM 560 N LEU A 33 -1.629 6.339 -7.288 1.00 0.00 N ATOM 561 CA LEU A 33 -2.841 5.928 -7.987 1.00 0.00 C ATOM 562 C LEU A 33 -3.175 4.465 -7.713 1.00 0.00 C ATOM 563 O LEU A 33 -2.296 3.660 -7.408 1.00 0.00 O ATOM 564 CB LEU A 33 -2.690 6.147 -9.494 1.00 0.00 C ATOM 565 CG LEU A 33 -2.262 7.557 -9.915 1.00 0.00 C ATOM 566 CD1 LEU A 33 -3.038 8.612 -9.141 1.00 0.00 C ATOM 567 CD2 LEU A 33 -0.765 7.738 -9.718 1.00 0.00 C ATOM 0 H LEU A 33 -0.779 5.872 -7.603 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.659 6.543 -7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.959 5.435 -9.876 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.641 5.916 -9.974 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.488 7.682 -10.974 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.717 9.605 -9.457 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.104 8.496 -9.337 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.850 8.492 -8.074 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.477 8.745 -10.022 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.516 7.591 -8.667 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.227 7.009 -10.324 1.00 0.00 H new ATOM 579 N PHE A 34 -4.456 4.137 -7.827 1.00 0.00 N ATOM 580 CA PHE A 34 -4.931 2.777 -7.601 1.00 0.00 C ATOM 581 C PHE A 34 -5.910 2.362 -8.694 1.00 0.00 C ATOM 582 O PHE A 34 -6.867 3.081 -8.986 1.00 0.00 O ATOM 583 CB PHE A 34 -5.606 2.671 -6.234 1.00 0.00 C ATOM 584 CG PHE A 34 -4.769 1.977 -5.198 1.00 0.00 C ATOM 585 CD1 PHE A 34 -3.793 2.669 -4.502 1.00 0.00 C ATOM 586 CD2 PHE A 34 -4.961 0.633 -4.921 1.00 0.00 C ATOM 587 CE1 PHE A 34 -3.022 2.033 -3.548 1.00 0.00 C ATOM 588 CE2 PHE A 34 -4.194 -0.007 -3.968 1.00 0.00 C ATOM 589 CZ PHE A 34 -3.224 0.694 -3.281 1.00 0.00 C ATOM 0 H PHE A 34 -5.190 4.800 -8.077 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.072 2.107 -7.627 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.849 3.673 -5.880 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.549 2.135 -6.345 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.632 3.717 -4.707 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.719 0.080 -5.456 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.262 2.583 -3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.353 -1.055 -3.760 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.623 0.195 -2.535 1.00 0.00 H new ATOM 599 N TYR A 35 -5.665 1.203 -9.291 1.00 0.00 N ATOM 600 CA TYR A 35 -6.527 0.695 -10.351 1.00 0.00 C ATOM 601 C TYR A 35 -6.891 -0.765 -10.102 1.00 0.00 C ATOM 602 O TYR A 35 -6.284 -1.433 -9.264 1.00 0.00 O ATOM 603 CB TYR A 35 -5.838 0.837 -11.709 1.00 0.00 C ATOM 604 CG TYR A 35 -5.361 2.241 -12.002 1.00 0.00 C ATOM 605 CD1 TYR A 35 -4.146 2.700 -11.510 1.00 0.00 C ATOM 606 CD2 TYR A 35 -6.126 3.108 -12.773 1.00 0.00 C ATOM 607 CE1 TYR A 35 -3.706 3.982 -11.775 1.00 0.00 C ATOM 608 CE2 TYR A 35 -5.693 4.392 -13.043 1.00 0.00 C ATOM 609 CZ TYR A 35 -4.483 4.825 -12.542 1.00 0.00 C ATOM 610 OH TYR A 35 -4.049 6.103 -12.809 1.00 0.00 O ATOM 0 H TYR A 35 -4.878 0.597 -9.060 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.444 1.284 -10.354 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.987 0.158 -11.748 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.530 0.526 -12.492 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.534 2.043 -10.910 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.074 2.773 -13.167 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.759 4.323 -11.384 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.299 5.054 -13.644 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.713 6.565 -13.363 1.00 0.00 H new ATOM 620 N ASP A 36 -7.883 -1.253 -10.837 1.00 0.00 N ATOM 621 CA ASP A 36 -8.330 -2.634 -10.697 1.00 0.00 C ATOM 622 C ASP A 36 -7.875 -3.479 -11.885 1.00 0.00 C ATOM 623 O ASP A 36 -7.779 -4.703 -11.786 1.00 0.00 O ATOM 624 CB ASP A 36 -9.853 -2.691 -10.572 1.00 0.00 C ATOM 625 CG ASP A 36 -10.551 -1.858 -11.631 1.00 0.00 C ATOM 626 OD1 ASP A 36 -10.553 -0.615 -11.501 1.00 0.00 O ATOM 627 OD2 ASP A 36 -11.095 -2.449 -12.588 1.00 0.00 O ATOM 0 H ASP A 36 -8.393 -0.713 -11.536 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.882 -3.042 -9.791 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.183 -3.727 -10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.147 -2.338 -9.584 1.00 0.00 H new ATOM 632 N SER A 37 -7.601 -2.821 -13.007 1.00 0.00 N ATOM 633 CA SER A 37 -7.157 -3.515 -14.209 1.00 0.00 C ATOM 634 C SER A 37 -6.458 -2.554 -15.165 1.00 0.00 C ATOM 635 O SER A 37 -6.373 -1.354 -14.904 1.00 0.00 O ATOM 636 CB SER A 37 -8.349 -4.173 -14.910 1.00 0.00 C ATOM 637 OG SER A 37 -9.458 -4.285 -14.036 1.00 0.00 O ATOM 0 H SER A 37 -7.679 -1.809 -13.108 1.00 0.00 H new ATOM 0 HA SER A 37 -6.445 -4.286 -13.913 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.629 -3.586 -15.785 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.063 -5.162 -15.268 1.00 0.00 H new ATOM 0 HG SER A 37 -9.835 -3.396 -13.870 1.00 0.00 H new ATOM 643 N GLU A 38 -5.956 -3.091 -16.274 1.00 0.00 N ATOM 644 CA GLU A 38 -5.263 -2.281 -17.269 1.00 0.00 C ATOM 645 C GLU A 38 -6.256 -1.493 -18.119 1.00 0.00 C ATOM 646 O GLU A 38 -5.963 -0.383 -18.563 1.00 0.00 O ATOM 647 CB GLU A 38 -4.395 -3.170 -18.163 1.00 0.00 C ATOM 648 CG GLU A 38 -2.955 -2.698 -18.275 1.00 0.00 C ATOM 649 CD GLU A 38 -1.962 -3.844 -18.254 1.00 0.00 C ATOM 650 OE1 GLU A 38 -2.265 -4.901 -18.846 1.00 0.00 O ATOM 651 OE2 GLU A 38 -0.883 -3.684 -17.646 1.00 0.00 O ATOM 0 H GLU A 38 -6.017 -4.083 -16.505 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.623 -1.571 -16.744 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.406 -4.187 -17.770 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.835 -3.208 -19.160 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.833 -2.133 -19.199 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.735 -2.016 -17.453 1.00 0.00 H new ATOM 658 N GLN A 39 -7.430 -2.074 -18.341 1.00 0.00 N ATOM 659 CA GLN A 39 -8.464 -1.425 -19.139 1.00 0.00 C ATOM 660 C GLN A 39 -8.901 -0.111 -18.500 1.00 0.00 C ATOM 661 O GLN A 39 -9.167 0.870 -19.194 1.00 0.00 O ATOM 662 CB GLN A 39 -9.671 -2.353 -19.299 1.00 0.00 C ATOM 663 CG GLN A 39 -10.371 -2.673 -17.987 1.00 0.00 C ATOM 664 CD GLN A 39 -10.998 -4.054 -17.985 1.00 0.00 C ATOM 665 OE1 GLN A 39 -12.214 -4.195 -17.851 1.00 0.00 O ATOM 666 NE2 GLN A 39 -10.170 -5.081 -18.133 1.00 0.00 N ATOM 0 H GLN A 39 -7.689 -2.992 -17.980 1.00 0.00 H new ATOM 0 HA GLN A 39 -8.046 -1.209 -20.122 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.386 -1.891 -19.980 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.344 -3.283 -19.763 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.654 -2.602 -17.169 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.143 -1.927 -17.799 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.169 -4.918 -18.241 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.535 -6.034 -18.139 1.00 0.00 H new ATOM 675 N ASP A 40 -8.971 -0.098 -17.173 1.00 0.00 N ATOM 676 CA ASP A 40 -9.375 1.097 -16.441 1.00 0.00 C ATOM 677 C ASP A 40 -8.235 2.111 -16.383 1.00 0.00 C ATOM 678 O ASP A 40 -8.462 3.319 -16.448 1.00 0.00 O ATOM 679 CB ASP A 40 -9.822 0.727 -15.023 1.00 0.00 C ATOM 680 CG ASP A 40 -11.280 1.054 -14.773 1.00 0.00 C ATOM 681 OD1 ASP A 40 -11.803 1.980 -15.429 1.00 0.00 O ATOM 682 OD2 ASP A 40 -11.900 0.385 -13.921 1.00 0.00 O ATOM 0 H ASP A 40 -8.753 -0.901 -16.583 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.213 1.551 -16.970 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.658 -0.338 -14.860 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.204 1.259 -14.300 1.00 0.00 H new ATOM 687 N LYS A 41 -7.010 1.611 -16.260 1.00 0.00 N ATOM 688 CA LYS A 41 -5.836 2.473 -16.194 1.00 0.00 C ATOM 689 C LYS A 41 -5.691 3.294 -17.472 1.00 0.00 C ATOM 690 O LYS A 41 -5.541 4.515 -17.423 1.00 0.00 O ATOM 691 CB LYS A 41 -4.576 1.637 -15.962 1.00 0.00 C ATOM 692 CG LYS A 41 -3.578 2.289 -15.020 1.00 0.00 C ATOM 693 CD LYS A 41 -2.914 3.501 -15.658 1.00 0.00 C ATOM 694 CE LYS A 41 -1.431 3.264 -15.895 1.00 0.00 C ATOM 695 NZ LYS A 41 -0.674 4.542 -15.998 1.00 0.00 N ATOM 0 H LYS A 41 -6.805 0.613 -16.204 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.966 3.159 -15.357 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.863 0.666 -15.558 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.091 1.452 -16.921 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.086 2.592 -14.104 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.816 1.563 -14.737 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.403 3.728 -16.605 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.046 4.371 -15.014 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.024 2.666 -15.080 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.297 2.688 -16.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.333 4.337 -16.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.045 5.102 -16.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.780 5.081 -15.115 1.00 0.00 H new ATOM 709 N GLU A 42 -5.737 2.614 -18.614 1.00 0.00 N ATOM 710 CA GLU A 42 -5.611 3.281 -19.904 1.00 0.00 C ATOM 711 C GLU A 42 -6.759 4.261 -20.128 1.00 0.00 C ATOM 712 O GLU A 42 -6.624 5.227 -20.879 1.00 0.00 O ATOM 713 CB GLU A 42 -5.580 2.248 -21.034 1.00 0.00 C ATOM 714 CG GLU A 42 -6.843 1.408 -21.124 1.00 0.00 C ATOM 715 CD GLU A 42 -7.130 0.938 -22.537 1.00 0.00 C ATOM 716 OE1 GLU A 42 -6.167 0.602 -23.258 1.00 0.00 O ATOM 717 OE2 GLU A 42 -8.317 0.906 -22.923 1.00 0.00 O ATOM 0 H GLU A 42 -5.860 1.603 -18.671 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.676 3.841 -19.904 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.428 2.763 -21.982 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.724 1.588 -20.889 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.747 0.542 -20.469 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.689 1.990 -20.760 1.00 0.00 H new ATOM 724 N GLN A 43 -7.888 4.008 -19.473 1.00 0.00 N ATOM 725 CA GLN A 43 -9.058 4.870 -19.604 1.00 0.00 C ATOM 726 C GLN A 43 -8.998 6.046 -18.626 1.00 0.00 C ATOM 727 O GLN A 43 -9.948 6.821 -18.521 1.00 0.00 O ATOM 728 CB GLN A 43 -10.337 4.061 -19.371 1.00 0.00 C ATOM 729 CG GLN A 43 -11.126 3.794 -20.642 1.00 0.00 C ATOM 730 CD GLN A 43 -11.834 5.031 -21.161 1.00 0.00 C ATOM 731 OE1 GLN A 43 -11.448 5.598 -22.182 1.00 0.00 O ATOM 732 NE2 GLN A 43 -12.874 5.456 -20.454 1.00 0.00 N ATOM 0 H GLN A 43 -8.018 3.214 -18.847 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.065 5.273 -20.617 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.076 3.109 -18.908 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.972 4.596 -18.664 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.452 3.416 -21.411 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.861 3.012 -20.451 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.159 4.954 -19.613 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.389 6.285 -20.752 1.00 0.00 H new ATOM 741 N SER A 44 -7.881 6.174 -17.912 1.00 0.00 N ATOM 742 CA SER A 44 -7.711 7.258 -16.951 1.00 0.00 C ATOM 743 C SER A 44 -8.774 7.187 -15.858 1.00 0.00 C ATOM 744 O SER A 44 -9.284 8.212 -15.406 1.00 0.00 O ATOM 745 CB SER A 44 -7.781 8.612 -17.659 1.00 0.00 C ATOM 746 OG SER A 44 -7.202 8.543 -18.950 1.00 0.00 O ATOM 0 H SER A 44 -7.084 5.542 -17.982 1.00 0.00 H new ATOM 0 HA SER A 44 -6.730 7.149 -16.488 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.820 8.930 -17.740 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.263 9.364 -17.064 1.00 0.00 H new ATOM 0 HG SER A 44 -7.261 9.421 -19.382 1.00 0.00 H new ATOM 752 N ASN A 45 -9.102 5.970 -15.436 1.00 0.00 N ATOM 753 CA ASN A 45 -10.102 5.766 -14.396 1.00 0.00 C ATOM 754 C ASN A 45 -9.464 5.190 -13.133 1.00 0.00 C ATOM 755 O ASN A 45 -9.547 3.988 -12.877 1.00 0.00 O ATOM 756 CB ASN A 45 -11.209 4.835 -14.900 1.00 0.00 C ATOM 757 CG ASN A 45 -12.594 5.366 -14.591 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.360 4.744 -13.856 1.00 0.00 O ATOM 759 ND2 ASN A 45 -12.924 6.525 -15.153 1.00 0.00 N ATOM 0 H ASN A 45 -8.689 5.111 -15.799 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.539 6.734 -14.149 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.106 4.702 -15.977 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.089 3.852 -14.444 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.843 6.932 -14.981 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.258 7.007 -15.756 1.00 0.00 H new ATOM 766 N PRO A 46 -8.811 6.044 -12.325 1.00 0.00 N ATOM 767 CA PRO A 46 -8.155 5.615 -11.087 1.00 0.00 C ATOM 768 C PRO A 46 -9.155 5.283 -9.986 1.00 0.00 C ATOM 769 O PRO A 46 -9.868 6.158 -9.496 1.00 0.00 O ATOM 770 CB PRO A 46 -7.315 6.832 -10.696 1.00 0.00 C ATOM 771 CG PRO A 46 -8.039 7.994 -11.283 1.00 0.00 C ATOM 772 CD PRO A 46 -8.662 7.495 -12.558 1.00 0.00 C ATOM 0 HA PRO A 46 -7.574 4.703 -11.226 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.231 6.924 -9.613 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.301 6.757 -11.090 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.800 8.366 -10.597 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.356 8.820 -11.480 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.624 7.972 -12.748 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.029 7.700 -13.421 1.00 0.00 H new ATOM 780 N TYR A 47 -9.201 4.011 -9.598 1.00 0.00 N ATOM 781 CA TYR A 47 -10.111 3.563 -8.549 1.00 0.00 C ATOM 782 C TYR A 47 -9.896 4.365 -7.270 1.00 0.00 C ATOM 783 O TYR A 47 -10.839 4.640 -6.527 1.00 0.00 O ATOM 784 CB TYR A 47 -9.908 2.072 -8.272 1.00 0.00 C ATOM 785 CG TYR A 47 -10.915 1.490 -7.305 1.00 0.00 C ATOM 786 CD1 TYR A 47 -12.260 1.405 -7.641 1.00 0.00 C ATOM 787 CD2 TYR A 47 -10.520 1.027 -6.057 1.00 0.00 C ATOM 788 CE1 TYR A 47 -13.184 0.874 -6.760 1.00 0.00 C ATOM 789 CE2 TYR A 47 -11.436 0.494 -5.171 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.766 0.420 -5.527 1.00 0.00 C ATOM 791 OH TYR A 47 -13.683 -0.110 -4.648 1.00 0.00 O ATOM 0 H TYR A 47 -8.619 3.273 -9.994 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.133 3.724 -8.892 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.964 1.526 -9.214 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.905 1.919 -7.874 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.590 1.760 -8.606 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.479 1.085 -5.774 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -14.227 0.815 -7.036 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.112 0.137 -4.205 1.00 0.00 H new ATOM 0 HH TYR A 47 -13.227 -0.384 -3.825 1.00 0.00 H new ATOM 801 N MET A 48 -8.646 4.740 -7.024 1.00 0.00 N ATOM 802 CA MET A 48 -8.296 5.517 -5.839 1.00 0.00 C ATOM 803 C MET A 48 -6.976 6.250 -6.050 1.00 0.00 C ATOM 804 O MET A 48 -6.062 5.729 -6.684 1.00 0.00 O ATOM 805 CB MET A 48 -8.202 4.606 -4.612 1.00 0.00 C ATOM 806 CG MET A 48 -8.381 5.341 -3.294 1.00 0.00 C ATOM 807 SD MET A 48 -8.114 4.277 -1.864 1.00 0.00 S ATOM 808 CE MET A 48 -6.377 3.882 -2.056 1.00 0.00 C ATOM 0 H MET A 48 -7.856 4.518 -7.630 1.00 0.00 H new ATOM 0 HA MET A 48 -9.080 6.255 -5.669 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.960 3.826 -4.690 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.232 4.109 -4.612 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.686 6.180 -3.253 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.387 5.758 -3.249 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.272 2.838 -2.352 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.941 4.522 -2.823 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.860 4.045 -1.110 1.00 0.00 H new ATOM 818 N VAL A 49 -6.884 7.465 -5.522 1.00 0.00 N ATOM 819 CA VAL A 49 -5.674 8.266 -5.663 1.00 0.00 C ATOM 820 C VAL A 49 -5.285 8.915 -4.337 1.00 0.00 C ATOM 821 O VAL A 49 -6.056 9.679 -3.757 1.00 0.00 O ATOM 822 CB VAL A 49 -5.853 9.360 -6.736 1.00 0.00 C ATOM 823 CG1 VAL A 49 -7.082 10.207 -6.439 1.00 0.00 C ATOM 824 CG2 VAL A 49 -4.607 10.229 -6.843 1.00 0.00 C ATOM 0 H VAL A 49 -7.631 7.916 -4.994 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.877 7.591 -5.974 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.002 8.870 -7.698 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.191 10.973 -7.207 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.968 9.572 -6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.969 10.684 -5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.760 10.992 -7.606 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.415 10.709 -5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.753 9.609 -7.116 1.00 0.00 H new ATOM 834 N LEU A 50 -4.081 8.606 -3.865 1.00 0.00 N ATOM 835 CA LEU A 50 -3.583 9.159 -2.609 1.00 0.00 C ATOM 836 C LEU A 50 -2.465 10.166 -2.863 1.00 0.00 C ATOM 837 O LEU A 50 -1.792 10.114 -3.892 1.00 0.00 O ATOM 838 CB LEU A 50 -3.076 8.043 -1.693 1.00 0.00 C ATOM 839 CG LEU A 50 -3.928 6.769 -1.682 1.00 0.00 C ATOM 840 CD1 LEU A 50 -3.121 5.582 -2.186 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.462 6.496 -0.284 1.00 0.00 C ATOM 0 H LEU A 50 -3.431 7.975 -4.334 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.410 9.672 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.062 7.780 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.016 8.429 -0.676 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.776 6.917 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.743 4.687 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.788 5.775 -3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.254 5.432 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.065 5.588 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.628 6.369 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.077 7.335 0.041 1.00 0.00 H new ATOM 853 N ASP A 51 -2.273 11.079 -1.916 1.00 0.00 N ATOM 854 CA ASP A 51 -1.235 12.096 -2.037 1.00 0.00 C ATOM 855 C ASP A 51 0.021 11.683 -1.277 1.00 0.00 C ATOM 856 O ASP A 51 -0.015 11.476 -0.064 1.00 0.00 O ATOM 857 CB ASP A 51 -1.745 13.439 -1.511 1.00 0.00 C ATOM 858 CG ASP A 51 -2.697 14.115 -2.477 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.559 13.414 -3.049 1.00 0.00 O ATOM 860 OD2 ASP A 51 -2.584 15.345 -2.660 1.00 0.00 O ATOM 0 H ASP A 51 -2.822 11.135 -1.058 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.982 12.199 -3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.249 13.284 -0.557 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.897 14.097 -1.321 1.00 0.00 H new ATOM 865 N ILE A 52 1.132 11.566 -1.998 1.00 0.00 N ATOM 866 CA ILE A 52 2.399 11.178 -1.390 1.00 0.00 C ATOM 867 C ILE A 52 2.818 12.174 -0.311 1.00 0.00 C ATOM 868 O ILE A 52 3.376 11.791 0.717 1.00 0.00 O ATOM 869 CB ILE A 52 3.520 11.072 -2.448 1.00 0.00 C ATOM 870 CG1 ILE A 52 3.134 10.054 -3.525 1.00 0.00 C ATOM 871 CG2 ILE A 52 4.842 10.689 -1.795 1.00 0.00 C ATOM 872 CD1 ILE A 52 4.220 9.814 -4.551 1.00 0.00 C ATOM 0 H ILE A 52 1.180 11.734 -3.003 1.00 0.00 H new ATOM 0 HA ILE A 52 2.248 10.199 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 52 3.646 12.047 -2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.884 9.108 -3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.235 10.400 -4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.618 10.620 -2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.119 11.447 -1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.736 9.725 -1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.875 9.082 -5.281 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.455 10.750 -5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.114 9.437 -4.054 1.00 0.00 H new ATOM 884 N ASP A 53 2.547 13.451 -0.555 1.00 0.00 N ATOM 885 CA ASP A 53 2.899 14.502 0.394 1.00 0.00 C ATOM 886 C ASP A 53 2.044 14.411 1.657 1.00 0.00 C ATOM 887 O ASP A 53 2.462 14.847 2.731 1.00 0.00 O ATOM 888 CB ASP A 53 2.728 15.877 -0.254 1.00 0.00 C ATOM 889 CG ASP A 53 3.138 17.008 0.670 1.00 0.00 C ATOM 890 OD1 ASP A 53 2.522 17.147 1.748 1.00 0.00 O ATOM 891 OD2 ASP A 53 4.074 17.755 0.317 1.00 0.00 O ATOM 0 H ASP A 53 2.085 13.784 -1.401 1.00 0.00 H new ATOM 0 HA ASP A 53 3.943 14.366 0.677 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.324 15.922 -1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.687 16.010 -0.547 1.00 0.00 H new ATOM 896 N LYS A 54 0.848 13.846 1.523 1.00 0.00 N ATOM 897 CA LYS A 54 -0.061 13.706 2.656 1.00 0.00 C ATOM 898 C LYS A 54 0.377 12.571 3.581 1.00 0.00 C ATOM 899 O LYS A 54 0.010 12.544 4.755 1.00 0.00 O ATOM 900 CB LYS A 54 -1.488 13.455 2.166 1.00 0.00 C ATOM 901 CG LYS A 54 -2.286 14.730 1.941 1.00 0.00 C ATOM 902 CD LYS A 54 -3.726 14.577 2.404 1.00 0.00 C ATOM 903 CE LYS A 54 -4.221 15.828 3.116 1.00 0.00 C ATOM 904 NZ LYS A 54 -5.208 16.580 2.292 1.00 0.00 N ATOM 0 H LYS A 54 0.486 13.478 0.643 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.034 14.638 3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.450 12.891 1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.009 12.833 2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.816 15.554 2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.269 14.989 0.882 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.365 14.369 1.546 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.804 13.721 3.074 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.678 15.549 4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.374 16.474 3.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.521 17.425 2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.765 16.868 1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.028 15.972 2.092 1.00 0.00 H new ATOM 918 N LEU A 55 1.160 11.636 3.047 1.00 0.00 N ATOM 919 CA LEU A 55 1.640 10.501 3.832 1.00 0.00 C ATOM 920 C LEU A 55 2.293 10.966 5.130 1.00 0.00 C ATOM 921 O LEU A 55 2.887 12.043 5.188 1.00 0.00 O ATOM 922 CB LEU A 55 2.641 9.674 3.021 1.00 0.00 C ATOM 923 CG LEU A 55 2.132 9.168 1.669 1.00 0.00 C ATOM 924 CD1 LEU A 55 3.119 8.182 1.065 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.760 8.526 1.818 1.00 0.00 C ATOM 0 H LEU A 55 1.475 11.642 2.077 1.00 0.00 H new ATOM 0 HA LEU A 55 0.778 9.882 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.532 10.278 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.947 8.816 3.619 1.00 0.00 H new ATOM 0 HG LEU A 55 2.039 10.021 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.742 7.832 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.081 8.673 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.243 7.333 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.416 8.173 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.825 7.684 2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.055 9.260 2.208 1.00 0.00 H new ATOM 937 N PHE A 56 2.181 10.145 6.169 1.00 0.00 N ATOM 938 CA PHE A 56 2.760 10.471 7.467 1.00 0.00 C ATOM 939 C PHE A 56 3.936 9.553 7.785 1.00 0.00 C ATOM 940 O PHE A 56 4.885 9.956 8.458 1.00 0.00 O ATOM 941 CB PHE A 56 1.702 10.362 8.564 1.00 0.00 C ATOM 942 CG PHE A 56 0.777 11.543 8.619 1.00 0.00 C ATOM 943 CD1 PHE A 56 0.031 11.904 7.510 1.00 0.00 C ATOM 944 CD2 PHE A 56 0.653 12.290 9.779 1.00 0.00 C ATOM 945 CE1 PHE A 56 -0.820 12.991 7.554 1.00 0.00 C ATOM 946 CE2 PHE A 56 -0.196 13.379 9.829 1.00 0.00 C ATOM 947 CZ PHE A 56 -0.934 13.730 8.716 1.00 0.00 C ATOM 0 H PHE A 56 1.695 9.249 6.137 1.00 0.00 H new ATOM 0 HA PHE A 56 3.125 11.497 7.425 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.115 9.457 8.404 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.199 10.254 9.528 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.115 11.329 6.600 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.226 12.018 10.653 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.395 13.263 6.681 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.282 13.955 10.738 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.599 14.580 8.754 1.00 0.00 H new ATOM 957 N HIS A 57 3.868 8.318 7.300 1.00 0.00 N ATOM 958 CA HIS A 57 4.931 7.348 7.539 1.00 0.00 C ATOM 959 C HIS A 57 4.685 6.055 6.769 1.00 0.00 C ATOM 960 O HIS A 57 3.541 5.650 6.560 1.00 0.00 O ATOM 961 CB HIS A 57 5.047 7.050 9.035 1.00 0.00 C ATOM 962 CG HIS A 57 6.432 6.676 9.466 1.00 0.00 C ATOM 963 ND1 HIS A 57 6.991 5.441 9.216 1.00 0.00 N ATOM 964 CD2 HIS A 57 7.373 7.384 10.133 1.00 0.00 C ATOM 965 CE1 HIS A 57 8.215 5.405 9.712 1.00 0.00 C ATOM 966 NE2 HIS A 57 8.470 6.572 10.273 1.00 0.00 N ATOM 0 H HIS A 57 3.091 7.966 6.741 1.00 0.00 H new ATOM 0 HA HIS A 57 5.866 7.782 7.184 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.724 7.926 9.598 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.365 6.239 9.289 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.278 8.399 10.489 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.891 4.564 9.666 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.342 6.829 10.736 1.00 0.00 H new ATOM 975 N VAL A 58 5.772 5.410 6.355 1.00 0.00 N ATOM 976 CA VAL A 58 5.690 4.157 5.613 1.00 0.00 C ATOM 977 C VAL A 58 6.706 3.152 6.147 1.00 0.00 C ATOM 978 O VAL A 58 7.910 3.408 6.135 1.00 0.00 O ATOM 979 CB VAL A 58 5.939 4.379 4.107 1.00 0.00 C ATOM 980 CG1 VAL A 58 5.826 3.069 3.337 1.00 0.00 C ATOM 981 CG2 VAL A 58 4.974 5.419 3.554 1.00 0.00 C ATOM 0 H VAL A 58 6.724 5.737 6.522 1.00 0.00 H new ATOM 0 HA VAL A 58 4.682 3.764 5.747 1.00 0.00 H new ATOM 0 HB VAL A 58 6.955 4.754 3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.006 3.253 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.565 2.361 3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.827 2.655 3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.164 5.563 2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.949 5.076 3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.117 6.363 4.079 1.00 0.00 H new ATOM 991 N ARG A 59 6.217 2.010 6.620 1.00 0.00 N ATOM 992 CA ARG A 59 7.095 0.976 7.162 1.00 0.00 C ATOM 993 C ARG A 59 6.394 -0.381 7.207 1.00 0.00 C ATOM 994 O ARG A 59 5.165 -0.452 7.233 1.00 0.00 O ATOM 995 CB ARG A 59 7.564 1.365 8.566 1.00 0.00 C ATOM 996 CG ARG A 59 6.432 1.779 9.492 1.00 0.00 C ATOM 997 CD ARG A 59 6.701 1.353 10.926 1.00 0.00 C ATOM 998 NE ARG A 59 5.499 1.423 11.753 1.00 0.00 N ATOM 999 CZ ARG A 59 4.543 0.496 11.751 1.00 0.00 C ATOM 1000 NH1 ARG A 59 4.644 -0.570 10.966 1.00 0.00 N ATOM 1001 NH2 ARG A 59 3.482 0.635 12.534 1.00 0.00 N ATOM 0 H ARG A 59 5.224 1.777 6.640 1.00 0.00 H new ATOM 0 HA ARG A 59 7.958 0.891 6.502 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.095 0.523 9.009 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.277 2.186 8.488 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.304 2.861 9.451 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.498 1.334 9.148 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.088 0.334 10.935 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.474 1.991 11.355 1.00 0.00 H new ATOM 0 HE ARG A 59 5.385 2.229 12.368 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.457 -0.682 10.360 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.909 -1.277 10.969 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.398 1.452 13.138 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.750 -0.075 12.532 1.00 0.00 H new ATOM 1015 N PRO A 60 7.173 -1.477 7.224 1.00 0.00 N ATOM 1016 CA PRO A 60 6.623 -2.836 7.271 1.00 0.00 C ATOM 1017 C PRO A 60 5.782 -3.071 8.521 1.00 0.00 C ATOM 1018 O PRO A 60 5.985 -2.424 9.548 1.00 0.00 O ATOM 1019 CB PRO A 60 7.865 -3.737 7.287 1.00 0.00 C ATOM 1020 CG PRO A 60 8.985 -2.851 7.713 1.00 0.00 C ATOM 1021 CD PRO A 60 8.644 -1.481 7.200 1.00 0.00 C ATOM 0 HA PRO A 60 5.957 -3.031 6.431 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.738 -4.571 7.978 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.054 -4.165 6.302 1.00 0.00 H new ATOM 0 HG2 PRO A 60 9.089 -2.847 8.798 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.934 -3.197 7.303 1.00 0.00 H new ATOM 0 HD2 PRO A 60 9.060 -0.697 7.833 1.00 0.00 H new ATOM 0 HD3 PRO A 60 9.032 -1.318 6.194 1.00 0.00 H new ATOM 1029 N VAL A 61 4.838 -4.000 8.429 1.00 0.00 N ATOM 1030 CA VAL A 61 3.967 -4.318 9.553 1.00 0.00 C ATOM 1031 C VAL A 61 4.494 -5.517 10.336 1.00 0.00 C ATOM 1032 O VAL A 61 5.485 -6.137 9.950 1.00 0.00 O ATOM 1033 CB VAL A 61 2.528 -4.608 9.088 1.00 0.00 C ATOM 1034 CG1 VAL A 61 1.944 -3.398 8.376 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.486 -5.836 8.191 1.00 0.00 C ATOM 0 H VAL A 61 4.656 -4.546 7.587 1.00 0.00 H new ATOM 0 HA VAL A 61 3.957 -3.442 10.202 1.00 0.00 H new ATOM 0 HB VAL A 61 1.919 -4.814 9.968 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.927 -3.621 8.054 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.931 -2.547 9.057 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.555 -3.158 7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.459 -6.021 7.875 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.111 -5.667 7.314 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.858 -6.701 8.740 1.00 0.00 H new ATOM 1045 N THR A 62 3.826 -5.839 11.438 1.00 0.00 N ATOM 1046 CA THR A 62 4.227 -6.964 12.275 1.00 0.00 C ATOM 1047 C THR A 62 3.059 -7.919 12.501 1.00 0.00 C ATOM 1048 O THR A 62 1.989 -7.756 11.916 1.00 0.00 O ATOM 1049 CB THR A 62 4.756 -6.461 13.618 1.00 0.00 C ATOM 1050 OG1 THR A 62 3.723 -5.848 14.368 1.00 0.00 O ATOM 1051 CG2 THR A 62 5.881 -5.457 13.481 1.00 0.00 C ATOM 0 H THR A 62 3.004 -5.337 11.773 1.00 0.00 H new ATOM 0 HA THR A 62 5.019 -7.505 11.758 1.00 0.00 H new ATOM 0 HB THR A 62 5.140 -7.346 14.125 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.082 -5.535 15.224 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.209 -5.141 14.471 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.716 -5.916 12.951 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.529 -4.590 12.922 1.00 0.00 H new ATOM 1059 N GLN A 63 3.274 -8.917 13.352 1.00 0.00 N ATOM 1060 CA GLN A 63 2.242 -9.901 13.655 1.00 0.00 C ATOM 1061 C GLN A 63 1.064 -9.260 14.387 1.00 0.00 C ATOM 1062 O GLN A 63 -0.010 -9.852 14.484 1.00 0.00 O ATOM 1063 CB GLN A 63 2.822 -11.036 14.500 1.00 0.00 C ATOM 1064 CG GLN A 63 1.929 -12.264 14.564 1.00 0.00 C ATOM 1065 CD GLN A 63 2.292 -13.303 13.521 1.00 0.00 C ATOM 1066 OE1 GLN A 63 3.353 -13.923 13.588 1.00 0.00 O ATOM 1067 NE2 GLN A 63 1.410 -13.497 12.549 1.00 0.00 N ATOM 0 H GLN A 63 4.155 -9.065 13.844 1.00 0.00 H new ATOM 0 HA GLN A 63 1.879 -10.305 12.710 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.791 -11.323 14.092 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.997 -10.671 15.512 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.001 -12.710 15.556 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.891 -11.962 14.425 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.543 -12.960 12.533 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.599 -14.183 11.818 1.00 0.00 H new ATOM 1076 N THR A 64 1.269 -8.050 14.901 1.00 0.00 N ATOM 1077 CA THR A 64 0.218 -7.341 15.622 1.00 0.00 C ATOM 1078 C THR A 64 -0.718 -6.618 14.656 1.00 0.00 C ATOM 1079 O THR A 64 -1.889 -6.397 14.963 1.00 0.00 O ATOM 1080 CB THR A 64 0.832 -6.337 16.599 1.00 0.00 C ATOM 1081 OG1 THR A 64 1.336 -5.209 15.907 1.00 0.00 O ATOM 1082 CG2 THR A 64 1.965 -6.917 17.419 1.00 0.00 C ATOM 0 H THR A 64 2.151 -7.542 14.832 1.00 0.00 H new ATOM 0 HA THR A 64 -0.363 -8.076 16.179 1.00 0.00 H new ATOM 0 HB THR A 64 0.023 -6.057 17.274 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.137 -5.465 15.404 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.356 -6.153 18.091 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.597 -7.760 18.003 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.759 -7.256 16.754 1.00 0.00 H new ATOM 1090 N ASP A 65 -0.195 -6.251 13.491 1.00 0.00 N ATOM 1091 CA ASP A 65 -0.986 -5.549 12.484 1.00 0.00 C ATOM 1092 C ASP A 65 -2.037 -6.470 11.873 1.00 0.00 C ATOM 1093 O ASP A 65 -3.101 -6.018 11.451 1.00 0.00 O ATOM 1094 CB ASP A 65 -0.077 -4.996 11.387 1.00 0.00 C ATOM 1095 CG ASP A 65 -0.479 -3.601 10.951 1.00 0.00 C ATOM 1096 OD1 ASP A 65 -1.526 -3.467 10.283 1.00 0.00 O ATOM 1097 OD2 ASP A 65 0.252 -2.643 11.277 1.00 0.00 O ATOM 0 H ASP A 65 0.772 -6.427 13.220 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.498 -4.722 12.975 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.952 -4.979 11.746 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.103 -5.664 10.526 1.00 0.00 H new ATOM 1102 N VAL A 66 -1.733 -7.763 11.828 1.00 0.00 N ATOM 1103 CA VAL A 66 -2.651 -8.744 11.268 1.00 0.00 C ATOM 1104 C VAL A 66 -2.754 -9.972 12.163 1.00 0.00 C ATOM 1105 O VAL A 66 -2.104 -10.052 13.204 1.00 0.00 O ATOM 1106 CB VAL A 66 -2.214 -9.187 9.857 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -2.654 -8.169 8.818 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -0.708 -9.398 9.803 1.00 0.00 C ATOM 0 H VAL A 66 -0.857 -8.155 12.173 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.626 -8.261 11.202 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.698 -10.137 9.630 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.337 -8.499 7.829 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.740 -8.074 8.838 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.201 -7.203 9.041 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.420 -9.710 8.799 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.201 -8.466 10.053 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.423 -10.169 10.519 1.00 0.00 H new ATOM 1118 N TYR A 67 -3.576 -10.926 11.747 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.767 -12.156 12.507 1.00 0.00 C ATOM 1120 C TYR A 67 -3.933 -13.347 11.570 1.00 0.00 C ATOM 1121 O TYR A 67 -3.277 -14.376 11.734 1.00 0.00 O ATOM 1122 CB TYR A 67 -4.987 -12.034 13.423 1.00 0.00 C ATOM 1123 CG TYR A 67 -6.259 -11.658 12.695 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -6.474 -10.357 12.260 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -7.243 -12.606 12.444 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -7.636 -10.011 11.597 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -8.407 -12.269 11.780 1.00 0.00 C ATOM 1128 CZ TYR A 67 -8.598 -10.970 11.358 1.00 0.00 C ATOM 1129 OH TYR A 67 -9.757 -10.629 10.698 1.00 0.00 O ATOM 0 H TYR A 67 -4.122 -10.873 10.887 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.881 -12.318 13.121 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.140 -12.983 13.938 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.782 -11.286 14.188 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.722 -9.604 12.443 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.096 -13.624 12.774 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.790 -8.994 11.267 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.162 -13.018 11.593 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.328 -11.420 10.610 1.00 0.00 H new ATOM 1139 N ARG A 68 -4.810 -13.197 10.583 1.00 0.00 N ATOM 1140 CA ARG A 68 -5.055 -14.257 9.613 1.00 0.00 C ATOM 1141 C ARG A 68 -3.849 -14.440 8.696 1.00 0.00 C ATOM 1142 O ARG A 68 -3.627 -15.521 8.152 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.301 -13.941 8.782 1.00 0.00 C ATOM 1144 CG ARG A 68 -6.155 -12.708 7.904 1.00 0.00 C ATOM 1145 CD ARG A 68 -6.691 -11.462 8.591 1.00 0.00 C ATOM 1146 NE ARG A 68 -7.820 -10.881 7.868 1.00 0.00 N ATOM 1147 CZ ARG A 68 -8.234 -9.627 8.024 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -7.616 -8.817 8.874 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -9.268 -9.178 7.324 1.00 0.00 N ATOM 0 H ARG A 68 -5.362 -12.352 10.434 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.220 -15.186 10.159 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.533 -14.799 8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.148 -13.800 9.453 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.104 -12.562 7.653 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.688 -12.864 6.966 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.000 -11.712 9.606 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.894 -10.723 8.674 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.320 -11.472 7.204 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.818 -9.155 9.412 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.939 -7.856 8.989 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.745 -9.795 6.666 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.586 -8.216 7.444 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.072 -13.371 8.531 1.00 0.00 N ATOM 1164 CA ALA A 69 -1.887 -13.407 7.685 1.00 0.00 C ATOM 1165 C ALA A 69 -0.931 -14.513 8.123 1.00 0.00 C ATOM 1166 O ALA A 69 -1.271 -15.343 8.966 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.188 -12.055 7.710 1.00 0.00 C ATOM 0 H ALA A 69 -3.245 -12.469 8.974 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.201 -13.624 6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.303 -12.091 7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.868 -11.287 7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.892 -11.817 8.732 1.00 0.00 H new ATOM 1173 N ASP A 70 0.267 -14.518 7.546 1.00 0.00 N ATOM 1174 CA ASP A 70 1.271 -15.522 7.878 1.00 0.00 C ATOM 1175 C ASP A 70 2.579 -14.859 8.299 1.00 0.00 C ATOM 1176 O ASP A 70 2.969 -13.831 7.746 1.00 0.00 O ATOM 1177 CB ASP A 70 1.512 -16.448 6.684 1.00 0.00 C ATOM 1178 CG ASP A 70 1.373 -17.913 7.051 1.00 0.00 C ATOM 1179 OD1 ASP A 70 0.234 -18.423 7.043 1.00 0.00 O ATOM 1180 OD2 ASP A 70 2.407 -18.551 7.347 1.00 0.00 O ATOM 0 H ASP A 70 0.566 -13.838 6.847 1.00 0.00 H new ATOM 0 HA ASP A 70 0.898 -16.114 8.714 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.804 -16.206 5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.510 -16.269 6.285 1.00 0.00 H new ATOM 1185 N ALA A 71 3.251 -15.454 9.281 1.00 0.00 N ATOM 1186 CA ALA A 71 4.515 -14.923 9.782 1.00 0.00 C ATOM 1187 C ALA A 71 5.477 -14.606 8.640 1.00 0.00 C ATOM 1188 O ALA A 71 6.321 -13.717 8.755 1.00 0.00 O ATOM 1189 CB ALA A 71 5.152 -15.908 10.750 1.00 0.00 C ATOM 0 H ALA A 71 2.940 -16.307 9.747 1.00 0.00 H new ATOM 0 HA ALA A 71 4.303 -13.992 10.309 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.094 -15.500 11.117 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.479 -16.079 11.590 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.340 -16.852 10.238 1.00 0.00 H new ATOM 1195 N LYS A 72 5.342 -15.336 7.538 1.00 0.00 N ATOM 1196 CA LYS A 72 6.198 -15.131 6.375 1.00 0.00 C ATOM 1197 C LYS A 72 5.689 -13.972 5.524 1.00 0.00 C ATOM 1198 O LYS A 72 6.462 -13.309 4.834 1.00 0.00 O ATOM 1199 CB LYS A 72 6.263 -16.408 5.536 1.00 0.00 C ATOM 1200 CG LYS A 72 6.739 -17.623 6.314 1.00 0.00 C ATOM 1201 CD LYS A 72 5.957 -18.871 5.935 1.00 0.00 C ATOM 1202 CE LYS A 72 6.620 -19.617 4.789 1.00 0.00 C ATOM 1203 NZ LYS A 72 7.510 -20.708 5.278 1.00 0.00 N ATOM 0 H LYS A 72 4.648 -16.075 7.426 1.00 0.00 H new ATOM 0 HA LYS A 72 7.200 -14.885 6.728 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.274 -16.614 5.126 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.931 -16.244 4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.800 -17.785 6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.632 -17.436 7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.877 -19.529 6.801 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.942 -18.593 5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.854 -20.038 4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.200 -18.917 4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.943 -21.193 4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.257 -20.304 5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.952 -21.390 5.831 1.00 0.00 H new ATOM 1217 N GLU A 73 4.382 -13.733 5.579 1.00 0.00 N ATOM 1218 CA GLU A 73 3.767 -12.656 4.813 1.00 0.00 C ATOM 1219 C GLU A 73 3.967 -11.306 5.500 1.00 0.00 C ATOM 1220 O GLU A 73 4.065 -10.273 4.838 1.00 0.00 O ATOM 1221 CB GLU A 73 2.273 -12.928 4.622 1.00 0.00 C ATOM 1222 CG GLU A 73 1.972 -14.319 4.089 1.00 0.00 C ATOM 1223 CD GLU A 73 2.489 -14.528 2.679 1.00 0.00 C ATOM 1224 OE1 GLU A 73 2.543 -13.542 1.915 1.00 0.00 O ATOM 1225 OE2 GLU A 73 2.841 -15.677 2.339 1.00 0.00 O ATOM 0 H GLU A 73 3.728 -14.272 6.147 1.00 0.00 H new ATOM 0 HA GLU A 73 4.252 -12.618 3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.763 -12.795 5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.862 -12.188 3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.419 -15.062 4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.895 -14.485 4.105 1.00 0.00 H new ATOM 1232 N ILE A 74 4.022 -11.323 6.829 1.00 0.00 N ATOM 1233 CA ILE A 74 4.206 -10.100 7.606 1.00 0.00 C ATOM 1234 C ILE A 74 5.324 -9.226 7.034 1.00 0.00 C ATOM 1235 O ILE A 74 5.119 -8.041 6.776 1.00 0.00 O ATOM 1236 CB ILE A 74 4.514 -10.407 9.088 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.478 -11.376 9.666 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.546 -9.121 9.901 1.00 0.00 C ATOM 1239 CD1 ILE A 74 2.044 -10.952 9.424 1.00 0.00 C ATOM 0 H ILE A 74 3.942 -12.170 7.391 1.00 0.00 H new ATOM 0 HA ILE A 74 3.264 -9.555 7.543 1.00 0.00 H new ATOM 0 HB ILE A 74 5.495 -10.879 9.143 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.634 -12.363 9.230 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.643 -11.472 10.739 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.764 -9.355 10.943 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.319 -8.461 9.508 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.578 -8.625 9.836 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.368 -11.687 9.862 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.870 -9.979 9.884 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.861 -10.884 8.352 1.00 0.00 H new ATOM 1251 N PRO A 75 6.528 -9.796 6.825 1.00 0.00 N ATOM 1252 CA PRO A 75 7.665 -9.044 6.279 1.00 0.00 C ATOM 1253 C PRO A 75 7.416 -8.559 4.854 1.00 0.00 C ATOM 1254 O PRO A 75 8.123 -7.684 4.356 1.00 0.00 O ATOM 1255 CB PRO A 75 8.818 -10.053 6.308 1.00 0.00 C ATOM 1256 CG PRO A 75 8.160 -11.389 6.334 1.00 0.00 C ATOM 1257 CD PRO A 75 6.878 -11.202 7.097 1.00 0.00 C ATOM 0 HA PRO A 75 7.861 -8.140 6.855 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.459 -9.946 5.433 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.449 -9.907 7.185 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.964 -11.748 5.324 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.798 -12.129 6.817 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.101 -11.885 6.753 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.013 -11.385 8.163 1.00 0.00 H new ATOM 1265 N ARG A 76 6.407 -9.130 4.201 1.00 0.00 N ATOM 1266 CA ARG A 76 6.072 -8.750 2.833 1.00 0.00 C ATOM 1267 C ARG A 76 4.914 -7.751 2.802 1.00 0.00 C ATOM 1268 O ARG A 76 4.454 -7.359 1.729 1.00 0.00 O ATOM 1269 CB ARG A 76 5.706 -9.988 2.013 1.00 0.00 C ATOM 1270 CG ARG A 76 6.766 -11.078 2.047 1.00 0.00 C ATOM 1271 CD ARG A 76 6.582 -12.072 0.911 1.00 0.00 C ATOM 1272 NE ARG A 76 6.416 -13.438 1.401 1.00 0.00 N ATOM 1273 CZ ARG A 76 7.427 -14.222 1.771 1.00 0.00 C ATOM 1274 NH1 ARG A 76 8.677 -13.778 1.709 1.00 0.00 N ATOM 1275 NH2 ARG A 76 7.188 -15.452 2.204 1.00 0.00 N ATOM 0 H ARG A 76 5.809 -9.856 4.597 1.00 0.00 H new ATOM 0 HA ARG A 76 6.949 -8.273 2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.766 -10.395 2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.536 -9.691 0.978 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.756 -10.626 1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.719 -11.602 3.001 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.710 -11.790 0.320 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.445 -12.027 0.247 1.00 0.00 H new ATOM 0 HE ARG A 76 5.470 -13.814 1.463 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.866 -12.832 1.377 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.448 -14.383 1.994 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.230 -15.798 2.254 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.962 -16.052 2.487 1.00 0.00 H new ATOM 1289 N ILE A 77 4.446 -7.344 3.979 1.00 0.00 N ATOM 1290 CA ILE A 77 3.343 -6.395 4.077 1.00 0.00 C ATOM 1291 C ILE A 77 3.809 -5.072 4.677 1.00 0.00 C ATOM 1292 O ILE A 77 4.391 -5.042 5.761 1.00 0.00 O ATOM 1293 CB ILE A 77 2.194 -6.962 4.933 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.739 -8.313 4.378 1.00 0.00 C ATOM 1295 CG2 ILE A 77 1.028 -5.983 4.982 1.00 0.00 C ATOM 1296 CD1 ILE A 77 1.077 -9.202 5.409 1.00 0.00 C ATOM 0 H ILE A 77 4.814 -7.657 4.877 1.00 0.00 H new ATOM 0 HA ILE A 77 2.980 -6.221 3.064 1.00 0.00 H new ATOM 0 HB ILE A 77 2.558 -7.108 5.950 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.043 -8.143 3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.601 -8.834 3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.227 -6.402 5.591 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.362 -5.041 5.418 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.660 -5.804 3.972 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.781 -10.142 4.943 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.778 -9.404 6.219 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.195 -8.702 5.808 1.00 0.00 H new ATOM 1308 N PHE A 78 3.542 -3.977 3.970 1.00 0.00 N ATOM 1309 CA PHE A 78 3.930 -2.653 4.441 1.00 0.00 C ATOM 1310 C PHE A 78 2.712 -1.751 4.594 1.00 0.00 C ATOM 1311 O PHE A 78 1.779 -1.807 3.792 1.00 0.00 O ATOM 1312 CB PHE A 78 4.946 -2.016 3.491 1.00 0.00 C ATOM 1313 CG PHE A 78 4.551 -2.074 2.042 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.622 -3.265 1.336 1.00 0.00 C ATOM 1315 CD2 PHE A 78 4.119 -0.934 1.383 1.00 0.00 C ATOM 1316 CE1 PHE A 78 4.268 -3.317 0.001 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.765 -0.981 0.047 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.838 -2.173 -0.644 1.00 0.00 C ATOM 0 H PHE A 78 3.060 -3.981 3.071 1.00 0.00 H new ATOM 0 HA PHE A 78 4.396 -2.769 5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.090 -0.974 3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.907 -2.516 3.615 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.958 -4.162 1.835 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.058 0.002 1.919 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.327 -4.251 -0.538 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.432 -0.085 -0.455 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.560 -2.212 -1.687 1.00 0.00 H new ATOM 1328 N GLN A 79 2.723 -0.924 5.636 1.00 0.00 N ATOM 1329 CA GLN A 79 1.615 -0.014 5.903 1.00 0.00 C ATOM 1330 C GLN A 79 2.011 1.434 5.633 1.00 0.00 C ATOM 1331 O GLN A 79 3.124 1.857 5.952 1.00 0.00 O ATOM 1332 CB GLN A 79 1.147 -0.166 7.353 1.00 0.00 C ATOM 1333 CG GLN A 79 -0.006 0.753 7.722 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.267 0.790 9.215 1.00 0.00 C ATOM 1335 OE1 GLN A 79 -1.239 0.005 9.665 1.00 0.00 O flip ATOM 1336 NE2 GLN A 79 0.397 1.515 9.955 1.00 0.00 N flip ATOM 0 H GLN A 79 3.487 -0.866 6.309 1.00 0.00 H new ATOM 0 HA GLN A 79 0.797 -0.273 5.231 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.845 -1.200 7.521 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.986 0.033 8.019 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.211 1.761 7.370 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.908 0.423 7.207 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.135 2.102 9.566 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.210 1.529 10.958 1.00 0.00 H new ATOM 1345 N ILE A 80 1.088 2.188 5.043 1.00 0.00 N ATOM 1346 CA ILE A 80 1.327 3.593 4.726 1.00 0.00 C ATOM 1347 C ILE A 80 0.239 4.480 5.326 1.00 0.00 C ATOM 1348 O ILE A 80 -0.925 4.395 4.939 1.00 0.00 O ATOM 1349 CB ILE A 80 1.381 3.821 3.200 1.00 0.00 C ATOM 1350 CG1 ILE A 80 2.474 2.954 2.571 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.615 5.292 2.884 1.00 0.00 C ATOM 1352 CD1 ILE A 80 1.940 1.884 1.645 1.00 0.00 C ATOM 0 H ILE A 80 0.165 1.848 4.774 1.00 0.00 H new ATOM 0 HA ILE A 80 2.291 3.861 5.159 1.00 0.00 H new ATOM 0 HB ILE A 80 0.421 3.531 2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.159 3.594 2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.052 2.481 3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.650 5.431 1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.802 5.887 3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.561 5.612 3.322 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.771 1.309 1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.277 1.220 2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.386 2.351 0.830 1.00 0.00 H new ATOM 1364 N LEU A 81 0.628 5.332 6.271 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.317 6.237 6.917 1.00 0.00 C ATOM 1366 C LEU A 81 -0.433 7.543 6.141 1.00 0.00 C ATOM 1367 O LEU A 81 0.559 8.064 5.632 1.00 0.00 O ATOM 1368 CB LEU A 81 0.120 6.526 8.356 1.00 0.00 C ATOM 1369 CG LEU A 81 -0.829 7.426 9.149 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -1.927 6.600 9.803 1.00 0.00 C ATOM 1371 CD2 LEU A 81 -0.062 8.220 10.198 1.00 0.00 C ATOM 0 H LEU A 81 1.588 5.414 6.605 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.293 5.752 6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.226 5.579 8.885 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.105 6.991 8.334 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.293 8.129 8.457 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.592 7.257 10.363 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.496 6.077 9.034 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.480 5.873 10.481 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.754 8.854 10.752 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.431 7.533 10.886 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.687 8.842 9.708 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.651 8.066 6.051 1.00 0.00 N ATOM 1384 CA TYR A 82 -1.896 9.310 5.333 1.00 0.00 C ATOM 1385 C TYR A 82 -3.122 10.027 5.887 1.00 0.00 C ATOM 1386 O TYR A 82 -4.060 9.391 6.373 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.084 9.034 3.841 1.00 0.00 C ATOM 1388 CG TYR A 82 -2.997 7.863 3.552 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -2.607 6.564 3.854 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -4.248 8.056 2.980 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -3.437 5.491 3.593 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -5.084 6.988 2.717 1.00 0.00 C ATOM 1393 CZ TYR A 82 -4.675 5.708 3.025 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.510 4.643 2.765 1.00 0.00 O ATOM 0 H TYR A 82 -2.483 7.647 6.466 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.028 9.955 5.470 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.489 9.926 3.363 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.110 8.845 3.390 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.639 6.390 4.300 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.572 9.057 2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.118 4.487 3.832 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.054 7.155 2.272 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.343 4.970 2.366 1.00 0.00 H new ATOM 1404 N ALA A 83 -3.111 11.352 5.808 1.00 0.00 N ATOM 1405 CA ALA A 83 -4.223 12.156 6.299 1.00 0.00 C ATOM 1406 C ALA A 83 -5.449 12.003 5.407 1.00 0.00 C ATOM 1407 O ALA A 83 -5.390 12.253 4.203 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.816 13.619 6.389 1.00 0.00 C ATOM 0 H ALA A 83 -2.344 11.893 5.408 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.484 11.799 7.295 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.656 14.208 6.757 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.974 13.721 7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.526 13.978 5.401 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.563 11.591 6.005 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.804 11.406 5.262 1.00 0.00 C ATOM 1416 C ASN A 84 -8.757 12.576 5.494 1.00 0.00 C ATOM 1417 O ASN A 84 -9.400 13.061 4.564 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.475 10.087 5.666 1.00 0.00 C ATOM 1419 CG ASN A 84 -9.200 10.178 6.997 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -8.501 9.848 8.076 1.00 0.00 O flip ATOM 1421 ND2 ASN A 84 -10.375 10.540 7.053 1.00 0.00 N flip ATOM 0 H ASN A 84 -6.631 11.379 7.000 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.562 11.368 4.200 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.183 9.793 4.891 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.720 9.303 5.722 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.875 10.785 6.198 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.849 10.596 7.954 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.840 13.023 6.743 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.713 14.136 7.101 1.00 0.00 C ATOM 1430 C GLU A 85 -8.925 15.247 7.788 1.00 0.00 C ATOM 1431 O GLU A 85 -9.124 16.428 7.506 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.838 13.652 8.017 1.00 0.00 C ATOM 1433 CG GLU A 85 -12.022 13.063 7.266 1.00 0.00 C ATOM 1434 CD GLU A 85 -12.805 14.110 6.498 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -13.230 15.108 7.117 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -12.992 13.934 5.275 1.00 0.00 O ATOM 0 H GLU A 85 -8.314 12.632 7.524 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.146 14.536 6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.441 12.901 8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.184 14.487 8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.665 12.301 6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.685 12.565 7.974 1.00 0.00 H new ATOM 1443 N GLY A 86 -8.028 14.860 8.689 1.00 0.00 N ATOM 1444 CA GLY A 86 -7.225 15.832 9.401 1.00 0.00 C ATOM 1445 C GLY A 86 -5.824 15.328 9.690 1.00 0.00 C ATOM 1446 O GLY A 86 -4.948 15.378 8.826 1.00 0.00 O ATOM 0 H GLY A 86 -7.844 13.888 8.938 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.164 16.748 8.814 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.717 16.087 10.340 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.613 14.840 10.907 1.00 0.00 N ATOM 1451 CA ILE A 87 -4.307 14.324 11.306 1.00 0.00 C ATOM 1452 C ILE A 87 -4.448 13.018 12.082 1.00 0.00 C ATOM 1453 O ILE A 87 -4.042 11.957 11.608 1.00 0.00 O ATOM 1454 CB ILE A 87 -3.535 15.338 12.174 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.819 16.770 11.714 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -2.042 15.048 12.121 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -4.997 17.407 12.419 1.00 0.00 C ATOM 0 H ILE A 87 -6.327 14.790 11.634 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.747 14.146 10.388 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.873 15.238 13.205 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.932 17.380 11.882 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.006 16.768 10.640 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.509 15.771 12.738 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.853 14.042 12.496 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.693 15.123 11.091 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.141 18.420 12.044 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.895 16.819 12.230 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.804 17.441 13.491 1.00 0.00 H new ATOM 1469 N SER A 88 -5.023 13.107 13.277 1.00 0.00 N ATOM 1470 CA SER A 88 -5.215 11.933 14.121 1.00 0.00 C ATOM 1471 C SER A 88 -6.094 10.898 13.427 1.00 0.00 C ATOM 1472 O SER A 88 -5.949 9.696 13.652 1.00 0.00 O ATOM 1473 CB SER A 88 -5.844 12.337 15.456 1.00 0.00 C ATOM 1474 OG SER A 88 -6.094 11.203 16.267 1.00 0.00 O ATOM 0 H SER A 88 -5.364 13.979 13.682 1.00 0.00 H new ATOM 0 HA SER A 88 -4.237 11.487 14.305 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.180 13.024 15.981 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.777 12.871 15.275 1.00 0.00 H new ATOM 0 HG SER A 88 -6.494 11.489 17.115 1.00 0.00 H new ATOM 1480 N SER A 89 -7.005 11.371 12.580 1.00 0.00 N ATOM 1481 CA SER A 89 -7.904 10.483 11.854 1.00 0.00 C ATOM 1482 C SER A 89 -7.184 9.786 10.703 1.00 0.00 C ATOM 1483 O SER A 89 -7.637 8.750 10.217 1.00 0.00 O ATOM 1484 CB SER A 89 -9.103 11.267 11.318 1.00 0.00 C ATOM 1485 OG SER A 89 -9.867 11.821 12.375 1.00 0.00 O ATOM 0 H SER A 89 -7.139 12.362 12.381 1.00 0.00 H new ATOM 0 HA SER A 89 -8.254 9.720 12.550 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.755 12.064 10.661 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.732 10.610 10.717 1.00 0.00 H new ATOM 0 HG SER A 89 -10.626 12.318 12.004 1.00 0.00 H new ATOM 1491 N ALA A 90 -6.061 10.364 10.271 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.267 9.807 9.174 1.00 0.00 C ATOM 1493 C ALA A 90 -5.230 8.281 9.215 1.00 0.00 C ATOM 1494 O ALA A 90 -4.706 7.687 10.157 1.00 0.00 O ATOM 1495 CB ALA A 90 -3.855 10.368 9.216 1.00 0.00 C ATOM 0 H ALA A 90 -5.679 11.223 10.667 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.745 10.098 8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.272 9.948 8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.891 11.453 9.117 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.388 10.106 10.165 1.00 0.00 H new ATOM 1501 N LYS A 91 -5.794 7.656 8.187 1.00 0.00 N ATOM 1502 CA LYS A 91 -5.829 6.201 8.101 1.00 0.00 C ATOM 1503 C LYS A 91 -4.564 5.665 7.441 1.00 0.00 C ATOM 1504 O LYS A 91 -3.662 6.427 7.097 1.00 0.00 O ATOM 1505 CB LYS A 91 -7.061 5.745 7.316 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.364 6.334 7.833 1.00 0.00 C ATOM 1507 CD LYS A 91 -8.656 5.882 9.255 1.00 0.00 C ATOM 1508 CE LYS A 91 -10.078 5.360 9.395 1.00 0.00 C ATOM 1509 NZ LYS A 91 -11.007 6.408 9.904 1.00 0.00 N ATOM 0 H LYS A 91 -6.234 8.135 7.401 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.885 5.803 9.114 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.937 6.021 6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.123 4.657 7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.311 7.422 7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.184 6.035 7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.951 5.101 9.541 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.504 6.715 9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.430 5.002 8.428 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.086 4.507 10.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.965 6.013 9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.686 6.732 10.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.019 7.212 9.244 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.505 4.349 7.269 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.348 3.712 6.651 1.00 0.00 C ATOM 1525 C ASN A 92 -3.773 2.744 5.553 1.00 0.00 C ATOM 1526 O ASN A 92 -4.950 2.404 5.431 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.515 2.970 7.702 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.363 2.379 8.814 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -3.170 2.689 9.989 1.00 0.00 O ATOM 1530 ND2 ASN A 92 -4.310 1.524 8.445 1.00 0.00 N ATOM 0 H ASN A 92 -5.244 3.703 7.548 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.739 4.497 6.203 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.953 2.172 7.217 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.786 3.657 8.133 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.913 1.096 9.148 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.435 1.296 7.459 1.00 0.00 H new ATOM 1537 N LEU A 93 -2.805 2.303 4.755 1.00 0.00 N ATOM 1538 CA LEU A 93 -3.072 1.372 3.665 1.00 0.00 C ATOM 1539 C LEU A 93 -2.165 0.149 3.763 1.00 0.00 C ATOM 1540 O LEU A 93 -0.940 0.270 3.725 1.00 0.00 O ATOM 1541 CB LEU A 93 -2.873 2.066 2.314 1.00 0.00 C ATOM 1542 CG LEU A 93 -4.067 1.988 1.362 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -4.148 3.241 0.502 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -3.970 0.745 0.489 1.00 0.00 C ATOM 0 H LEU A 93 -1.826 2.577 4.844 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.107 1.041 3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.639 3.115 2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.006 1.626 1.821 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.978 1.922 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.004 3.167 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.264 4.115 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.235 3.339 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.827 0.704 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.051 0.783 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.962 -0.143 1.121 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.771 -1.026 3.887 1.00 0.00 N ATOM 1557 CA LEU A 94 -2.014 -2.268 3.988 1.00 0.00 C ATOM 1558 C LEU A 94 -1.835 -2.903 2.615 1.00 0.00 C ATOM 1559 O LEU A 94 -2.811 -3.191 1.923 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.720 -3.247 4.927 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.601 -2.923 6.417 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -1.203 -3.240 6.924 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -2.946 -1.463 6.675 1.00 0.00 C ATOM 0 H LEU A 94 -3.784 -1.145 3.920 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.030 -2.034 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.777 -3.281 4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.316 -4.245 4.755 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.311 -3.545 6.961 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.139 -3.003 7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.994 -4.299 6.776 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.473 -2.646 6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.856 -1.251 7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.261 -0.823 6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.968 -1.268 6.351 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.583 -3.115 2.225 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.280 -3.710 0.931 1.00 0.00 C ATOM 1577 C LEU A 95 0.636 -4.920 1.079 1.00 0.00 C ATOM 1578 O LEU A 95 1.798 -4.791 1.465 1.00 0.00 O ATOM 1579 CB LEU A 95 0.361 -2.666 0.016 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.473 -1.402 -0.200 1.00 0.00 C ATOM 1581 CD1 LEU A 95 0.123 -0.553 -1.312 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -1.917 -1.762 -0.522 1.00 0.00 C ATOM 0 H LEU A 95 0.237 -2.884 2.786 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.214 -4.053 0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.326 -2.380 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.557 -3.125 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.460 -0.821 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.484 0.342 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.139 -0.264 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.141 -1.127 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.495 -0.850 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.948 -2.365 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.344 -2.329 0.305 1.00 0.00 H new ATOM 1594 N LEU A 96 0.100 -6.094 0.765 1.00 0.00 N ATOM 1595 CA LEU A 96 0.860 -7.335 0.855 1.00 0.00 C ATOM 1596 C LEU A 96 1.580 -7.617 -0.460 1.00 0.00 C ATOM 1597 O LEU A 96 0.948 -7.755 -1.508 1.00 0.00 O ATOM 1598 CB LEU A 96 -0.078 -8.496 1.214 1.00 0.00 C ATOM 1599 CG LEU A 96 0.492 -9.902 0.997 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.370 -10.310 2.167 1.00 0.00 C ATOM 1601 CD2 LEU A 96 -0.636 -10.905 0.799 1.00 0.00 C ATOM 0 H LEU A 96 -0.861 -6.212 0.445 1.00 0.00 H new ATOM 0 HA LEU A 96 1.610 -7.233 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.364 -8.397 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.989 -8.398 0.624 1.00 0.00 H new ATOM 0 HG LEU A 96 1.107 -9.890 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.765 -11.311 1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.196 -9.606 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.780 -10.306 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.216 -11.899 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.275 -10.913 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.226 -10.622 -0.073 1.00 0.00 H new ATOM 1613 N ALA A 97 2.904 -7.701 -0.398 1.00 0.00 N ATOM 1614 CA ALA A 97 3.707 -7.968 -1.584 1.00 0.00 C ATOM 1615 C ALA A 97 3.966 -9.461 -1.750 1.00 0.00 C ATOM 1616 O ALA A 97 4.310 -10.152 -0.792 1.00 0.00 O ATOM 1617 CB ALA A 97 5.023 -7.207 -1.513 1.00 0.00 C ATOM 0 H ALA A 97 3.443 -7.588 0.460 1.00 0.00 H new ATOM 0 HA ALA A 97 3.147 -7.625 -2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.613 -7.416 -2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.822 -6.137 -1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.578 -7.522 -0.629 1.00 0.00 H new ATOM 1623 N ASN A 98 3.796 -9.953 -2.973 1.00 0.00 N ATOM 1624 CA ASN A 98 4.012 -11.365 -3.268 1.00 0.00 C ATOM 1625 C ASN A 98 5.405 -11.810 -2.830 1.00 0.00 C ATOM 1626 O ASN A 98 5.634 -12.989 -2.557 1.00 0.00 O ATOM 1627 CB ASN A 98 3.828 -11.630 -4.763 1.00 0.00 C ATOM 1628 CG ASN A 98 4.711 -10.746 -5.621 1.00 0.00 C ATOM 1629 OD1 ASN A 98 5.867 -11.074 -5.886 1.00 0.00 O ATOM 1630 ND2 ASN A 98 4.171 -9.614 -6.057 1.00 0.00 N ATOM 0 H ASN A 98 3.509 -9.394 -3.777 1.00 0.00 H new ATOM 0 HA ASN A 98 3.275 -11.941 -2.709 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.052 -12.676 -4.974 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.784 -11.467 -5.032 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.719 -8.977 -6.636 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.208 -9.381 -5.813 1.00 0.00 H new ATOM 1637 N SER A 99 6.334 -10.860 -2.761 1.00 0.00 N ATOM 1638 CA SER A 99 7.701 -11.156 -2.353 1.00 0.00 C ATOM 1639 C SER A 99 8.221 -10.090 -1.395 1.00 0.00 C ATOM 1640 O SER A 99 7.853 -8.920 -1.494 1.00 0.00 O ATOM 1641 CB SER A 99 8.613 -11.248 -3.578 1.00 0.00 C ATOM 1642 OG SER A 99 7.988 -11.966 -4.628 1.00 0.00 O ATOM 0 H SER A 99 6.163 -9.879 -2.983 1.00 0.00 H new ATOM 0 HA SER A 99 7.702 -12.116 -1.837 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.868 -10.245 -3.921 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.547 -11.739 -3.304 1.00 0.00 H new ATOM 0 HG SER A 99 7.355 -11.380 -5.093 1.00 0.00 H new ATOM 1648 N THR A 100 9.079 -10.504 -0.467 1.00 0.00 N ATOM 1649 CA THR A 100 9.649 -9.584 0.511 1.00 0.00 C ATOM 1650 C THR A 100 10.385 -8.440 -0.178 1.00 0.00 C ATOM 1651 O THR A 100 10.226 -7.276 0.189 1.00 0.00 O ATOM 1652 CB THR A 100 10.605 -10.329 1.445 1.00 0.00 C ATOM 1653 OG1 THR A 100 10.227 -11.689 1.569 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.662 -9.739 2.836 1.00 0.00 C ATOM 0 H THR A 100 9.394 -11.469 -0.372 1.00 0.00 H new ATOM 0 HA THR A 100 8.830 -9.164 1.096 1.00 0.00 H new ATOM 0 HB THR A 100 11.590 -10.234 0.987 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.712 -12.225 0.907 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.358 -10.314 3.447 1.00 0.00 H new ATOM 0 HG22 THR A 100 10.999 -8.704 2.779 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.670 -9.773 3.287 1.00 0.00 H new ATOM 1662 N GLU A 101 11.190 -8.780 -1.177 1.00 0.00 N ATOM 1663 CA GLU A 101 11.956 -7.784 -1.921 1.00 0.00 C ATOM 1664 C GLU A 101 11.047 -6.680 -2.455 1.00 0.00 C ATOM 1665 O GLU A 101 11.415 -5.504 -2.453 1.00 0.00 O ATOM 1666 CB GLU A 101 12.708 -8.446 -3.076 1.00 0.00 C ATOM 1667 CG GLU A 101 13.504 -9.672 -2.659 1.00 0.00 C ATOM 1668 CD GLU A 101 14.468 -10.133 -3.733 1.00 0.00 C ATOM 1669 OE1 GLU A 101 15.566 -9.548 -3.837 1.00 0.00 O ATOM 1670 OE2 GLU A 101 14.125 -11.082 -4.472 1.00 0.00 O ATOM 0 H GLU A 101 11.330 -9.740 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 101 12.677 -7.335 -1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.993 -8.732 -3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.385 -7.718 -3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.060 -9.447 -1.749 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.816 -10.483 -2.420 1.00 0.00 H new ATOM 1677 N GLU A 102 9.860 -7.066 -2.913 1.00 0.00 N ATOM 1678 CA GLU A 102 8.900 -6.107 -3.450 1.00 0.00 C ATOM 1679 C GLU A 102 8.538 -5.056 -2.403 1.00 0.00 C ATOM 1680 O GLU A 102 8.452 -3.867 -2.707 1.00 0.00 O ATOM 1681 CB GLU A 102 7.636 -6.830 -3.927 1.00 0.00 C ATOM 1682 CG GLU A 102 7.162 -6.382 -5.298 1.00 0.00 C ATOM 1683 CD GLU A 102 7.694 -7.258 -6.415 1.00 0.00 C ATOM 1684 OE1 GLU A 102 7.340 -8.455 -6.451 1.00 0.00 O ATOM 1685 OE2 GLU A 102 8.466 -6.747 -7.253 1.00 0.00 O ATOM 0 H GLU A 102 9.540 -8.034 -2.923 1.00 0.00 H new ATOM 0 HA GLU A 102 9.362 -5.603 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.828 -7.903 -3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.838 -6.665 -3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.072 -6.391 -5.322 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.476 -5.352 -5.468 1.00 0.00 H new ATOM 1692 N GLN A 103 8.329 -5.506 -1.171 1.00 0.00 N ATOM 1693 CA GLN A 103 7.979 -4.605 -0.077 1.00 0.00 C ATOM 1694 C GLN A 103 9.108 -3.617 0.200 1.00 0.00 C ATOM 1695 O GLN A 103 8.863 -2.444 0.479 1.00 0.00 O ATOM 1696 CB GLN A 103 7.660 -5.407 1.188 1.00 0.00 C ATOM 1697 CG GLN A 103 7.352 -4.540 2.398 1.00 0.00 C ATOM 1698 CD GLN A 103 8.522 -4.449 3.360 1.00 0.00 C ATOM 1699 OE1 GLN A 103 9.381 -5.330 3.397 1.00 0.00 O ATOM 1700 NE2 GLN A 103 8.559 -3.380 4.147 1.00 0.00 N ATOM 0 H GLN A 103 8.396 -6.488 -0.904 1.00 0.00 H new ATOM 0 HA GLN A 103 7.095 -4.040 -0.373 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.807 -6.057 0.991 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.506 -6.054 1.421 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.082 -3.538 2.064 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.486 -4.946 2.921 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.826 -2.674 4.083 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.321 -3.265 4.816 1.00 0.00 H new ATOM 1709 N GLN A 104 10.345 -4.098 0.124 1.00 0.00 N ATOM 1710 CA GLN A 104 11.509 -3.249 0.370 1.00 0.00 C ATOM 1711 C GLN A 104 11.599 -2.143 -0.676 1.00 0.00 C ATOM 1712 O GLN A 104 11.913 -0.996 -0.357 1.00 0.00 O ATOM 1713 CB GLN A 104 12.805 -4.071 0.361 1.00 0.00 C ATOM 1714 CG GLN A 104 12.646 -5.502 0.856 1.00 0.00 C ATOM 1715 CD GLN A 104 11.863 -5.597 2.150 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.372 -6.793 2.453 1.00 0.00 O flip ATOM 1717 NE2 GLN A 104 11.702 -4.611 2.867 1.00 0.00 N flip ATOM 0 H GLN A 104 10.568 -5.067 -0.105 1.00 0.00 H new ATOM 0 HA GLN A 104 11.386 -2.801 1.356 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.200 -4.093 -0.655 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.546 -3.565 0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.144 -6.092 0.090 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.633 -5.942 1.001 1.00 0.00 H new ATOM 0 HE21 GLN A 104 12.098 -3.712 2.594 1.00 0.00 H new ATOM 0 HE22 GLN A 104 11.173 -4.693 3.735 1.00 0.00 H new ATOM 1726 N LYS A 105 11.327 -2.498 -1.926 1.00 0.00 N ATOM 1727 CA LYS A 105 11.382 -1.540 -3.024 1.00 0.00 C ATOM 1728 C LYS A 105 10.201 -0.577 -2.970 1.00 0.00 C ATOM 1729 O LYS A 105 10.377 0.639 -3.048 1.00 0.00 O ATOM 1730 CB LYS A 105 11.397 -2.277 -4.367 1.00 0.00 C ATOM 1731 CG LYS A 105 11.294 -1.354 -5.573 1.00 0.00 C ATOM 1732 CD LYS A 105 11.287 -2.136 -6.877 1.00 0.00 C ATOM 1733 CE LYS A 105 10.265 -1.580 -7.854 1.00 0.00 C ATOM 1734 NZ LYS A 105 10.097 -2.459 -9.044 1.00 0.00 N ATOM 0 H LYS A 105 11.066 -3.444 -2.205 1.00 0.00 H new ATOM 0 HA LYS A 105 12.300 -0.961 -2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.316 -2.858 -4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.569 -2.986 -4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.384 -0.759 -5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.132 -0.657 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 105 12.279 -2.102 -7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 105 11.065 -3.183 -6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.306 -1.465 -7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.576 -0.587 -8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.391 -2.044 -9.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 11.006 -2.548 -9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 9.776 -3.400 -8.738 1.00 0.00 H new ATOM 1748 N TRP A 106 8.996 -1.126 -2.850 1.00 0.00 N ATOM 1749 CA TRP A 106 7.787 -0.312 -2.800 1.00 0.00 C ATOM 1750 C TRP A 106 7.859 0.731 -1.688 1.00 0.00 C ATOM 1751 O TRP A 106 7.619 1.917 -1.918 1.00 0.00 O ATOM 1752 CB TRP A 106 6.561 -1.195 -2.600 1.00 0.00 C ATOM 1753 CG TRP A 106 5.827 -1.455 -3.874 1.00 0.00 C ATOM 1754 CD1 TRP A 106 6.074 -2.452 -4.764 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.740 -0.696 -4.410 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.193 -2.377 -5.816 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.366 -1.304 -5.622 1.00 0.00 C ATOM 1758 CE3 TRP A 106 4.042 0.435 -3.981 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.324 -0.820 -6.407 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 3.008 0.914 -4.766 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.660 0.287 -5.963 1.00 0.00 C ATOM 0 H TRP A 106 8.831 -2.131 -2.786 1.00 0.00 H new ATOM 0 HA TRP A 106 7.704 0.212 -3.752 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.869 -2.144 -2.162 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.887 -0.719 -1.887 1.00 0.00 H new ATOM 0 HD1 TRP A 106 6.850 -3.196 -4.660 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.161 -3.016 -6.611 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.304 0.926 -3.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.051 -1.303 -7.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.461 1.789 -4.447 1.00 0.00 H new ATOM 0 HH2 TRP A 106 1.847 0.686 -6.551 1.00 0.00 H new ATOM 1772 N VAL A 107 8.184 0.279 -0.483 1.00 0.00 N ATOM 1773 CA VAL A 107 8.279 1.167 0.669 1.00 0.00 C ATOM 1774 C VAL A 107 9.392 2.195 0.499 1.00 0.00 C ATOM 1775 O VAL A 107 9.161 3.397 0.624 1.00 0.00 O ATOM 1776 CB VAL A 107 8.526 0.372 1.966 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.502 1.293 3.178 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.500 -0.742 2.114 1.00 0.00 C ATOM 0 H VAL A 107 8.387 -0.699 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 107 7.324 1.689 0.739 1.00 0.00 H new ATOM 0 HB VAL A 107 9.516 -0.081 1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.679 0.710 4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.281 2.049 3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.530 1.781 3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.691 -1.292 3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.499 -0.312 2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.575 -1.421 1.264 1.00 0.00 H new ATOM 1788 N SER A 108 10.599 1.716 0.225 1.00 0.00 N ATOM 1789 CA SER A 108 11.750 2.594 0.054 1.00 0.00 C ATOM 1790 C SER A 108 11.540 3.586 -1.089 1.00 0.00 C ATOM 1791 O SER A 108 11.964 4.739 -1.003 1.00 0.00 O ATOM 1792 CB SER A 108 13.012 1.769 -0.199 1.00 0.00 C ATOM 1793 OG SER A 108 14.107 2.601 -0.540 1.00 0.00 O ATOM 0 H SER A 108 10.806 0.723 0.116 1.00 0.00 H new ATOM 0 HA SER A 108 11.868 3.164 0.975 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.256 1.189 0.691 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.829 1.056 -1.003 1.00 0.00 H new ATOM 0 HG SER A 108 14.902 2.049 -0.695 1.00 0.00 H new ATOM 1799 N ARG A 109 10.897 3.135 -2.160 1.00 0.00 N ATOM 1800 CA ARG A 109 10.649 3.996 -3.311 1.00 0.00 C ATOM 1801 C ARG A 109 9.532 4.996 -3.029 1.00 0.00 C ATOM 1802 O ARG A 109 9.709 6.206 -3.190 1.00 0.00 O ATOM 1803 CB ARG A 109 10.297 3.155 -4.539 1.00 0.00 C ATOM 1804 CG ARG A 109 11.508 2.558 -5.236 1.00 0.00 C ATOM 1805 CD ARG A 109 12.347 3.630 -5.912 1.00 0.00 C ATOM 1806 NE ARG A 109 13.750 3.235 -6.022 1.00 0.00 N ATOM 1807 CZ ARG A 109 14.777 4.003 -5.655 1.00 0.00 C ATOM 1808 NH1 ARG A 109 14.572 5.218 -5.160 1.00 0.00 N ATOM 1809 NH2 ARG A 109 16.017 3.552 -5.788 1.00 0.00 N ATOM 0 H ARG A 109 10.540 2.184 -2.256 1.00 0.00 H new ATOM 0 HA ARG A 109 11.563 4.555 -3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.628 2.349 -4.237 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.749 3.775 -5.249 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.118 2.021 -4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 109 11.180 1.830 -5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 109 11.947 3.831 -6.906 1.00 0.00 H new ATOM 0 HD3 ARG A 109 12.275 4.559 -5.346 1.00 0.00 H new ATOM 0 HE ARG A 109 13.957 2.312 -6.404 1.00 0.00 H new ATOM 0 HH11 ARG A 109 13.621 5.573 -5.057 1.00 0.00 H new ATOM 0 HH12 ARG A 109 15.365 5.796 -4.883 1.00 0.00 H new ATOM 0 HH21 ARG A 109 16.183 2.621 -6.170 1.00 0.00 H new ATOM 0 HH22 ARG A 109 16.805 4.136 -5.509 1.00 0.00 H new ATOM 1823 N LEU A 110 8.377 4.487 -2.611 1.00 0.00 N ATOM 1824 CA LEU A 110 7.233 5.339 -2.313 1.00 0.00 C ATOM 1825 C LEU A 110 7.544 6.298 -1.168 1.00 0.00 C ATOM 1826 O LEU A 110 7.100 7.446 -1.171 1.00 0.00 O ATOM 1827 CB LEU A 110 6.003 4.487 -1.979 1.00 0.00 C ATOM 1828 CG LEU A 110 5.982 3.886 -0.574 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.371 4.866 0.415 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.213 2.573 -0.570 1.00 0.00 C ATOM 0 H LEU A 110 8.210 3.491 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 110 7.016 5.934 -3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.112 5.101 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.937 3.675 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 110 7.009 3.685 -0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.364 4.422 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.961 5.782 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.349 5.097 0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.207 2.158 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.188 2.751 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.692 1.869 -1.250 1.00 0.00 H new ATOM 1842 N VAL A 111 8.311 5.824 -0.191 1.00 0.00 N ATOM 1843 CA VAL A 111 8.678 6.649 0.955 1.00 0.00 C ATOM 1844 C VAL A 111 9.689 7.719 0.551 1.00 0.00 C ATOM 1845 O VAL A 111 9.586 8.873 0.969 1.00 0.00 O ATOM 1846 CB VAL A 111 9.254 5.801 2.109 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.670 5.336 1.798 1.00 0.00 C ATOM 1848 CG2 VAL A 111 9.218 6.583 3.413 1.00 0.00 C ATOM 0 H VAL A 111 8.689 4.877 -0.170 1.00 0.00 H new ATOM 0 HA VAL A 111 7.766 7.131 1.307 1.00 0.00 H new ATOM 0 HB VAL A 111 8.630 4.914 2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.048 4.741 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.663 4.730 0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.313 6.203 1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.628 5.970 4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.813 7.491 3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.188 6.849 3.649 1.00 0.00 H new ATOM 1858 N LYS A 112 10.660 7.328 -0.269 1.00 0.00 N ATOM 1859 CA LYS A 112 11.682 8.257 -0.733 1.00 0.00 C ATOM 1860 C LYS A 112 11.048 9.388 -1.532 1.00 0.00 C ATOM 1861 O LYS A 112 11.548 10.513 -1.541 1.00 0.00 O ATOM 1862 CB LYS A 112 12.717 7.526 -1.590 1.00 0.00 C ATOM 1863 CG LYS A 112 13.912 7.019 -0.799 1.00 0.00 C ATOM 1864 CD LYS A 112 15.149 6.902 -1.673 1.00 0.00 C ATOM 1865 CE LYS A 112 15.742 8.266 -1.985 1.00 0.00 C ATOM 1866 NZ LYS A 112 16.175 8.978 -0.751 1.00 0.00 N ATOM 0 H LYS A 112 10.760 6.377 -0.624 1.00 0.00 H new ATOM 0 HA LYS A 112 12.183 8.680 0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.236 6.683 -2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.068 8.198 -2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.114 7.696 0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.677 6.046 -0.367 1.00 0.00 H new ATOM 0 HD2 LYS A 112 15.895 6.287 -1.169 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.892 6.395 -2.603 1.00 0.00 H new ATOM 0 HE2 LYS A 112 16.595 8.147 -2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 112 15.005 8.870 -2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 17.136 9.352 -0.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 15.522 9.764 -0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.170 8.316 0.051 1.00 0.00 H new ATOM 1880 N LYS A 113 9.938 9.082 -2.199 1.00 0.00 N ATOM 1881 CA LYS A 113 9.230 10.074 -2.999 1.00 0.00 C ATOM 1882 C LYS A 113 8.563 11.121 -2.107 1.00 0.00 C ATOM 1883 O LYS A 113 8.247 12.221 -2.559 1.00 0.00 O ATOM 1884 CB LYS A 113 8.178 9.395 -3.878 1.00 0.00 C ATOM 1885 CG LYS A 113 8.771 8.564 -5.004 1.00 0.00 C ATOM 1886 CD LYS A 113 7.812 7.476 -5.459 1.00 0.00 C ATOM 1887 CE LYS A 113 7.052 7.886 -6.710 1.00 0.00 C ATOM 1888 NZ LYS A 113 7.423 7.048 -7.885 1.00 0.00 N ATOM 0 H LYS A 113 9.511 8.156 -2.201 1.00 0.00 H new ATOM 0 HA LYS A 113 9.959 10.576 -3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.554 8.755 -3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.526 10.157 -4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.014 9.212 -5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 113 9.705 8.111 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.368 6.559 -5.655 1.00 0.00 H new ATOM 0 HD3 LYS A 113 7.105 7.256 -4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 113 5.981 7.802 -6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 113 7.256 8.933 -6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 7.922 7.633 -8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 8.044 6.273 -7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 6.563 6.652 -8.315 1.00 0.00 H new ATOM 1902 N ILE A 114 8.355 10.772 -0.840 1.00 0.00 N ATOM 1903 CA ILE A 114 7.727 11.682 0.112 1.00 0.00 C ATOM 1904 C ILE A 114 8.607 12.906 0.362 1.00 0.00 C ATOM 1905 O ILE A 114 9.821 12.782 0.530 1.00 0.00 O ATOM 1906 CB ILE A 114 7.447 10.984 1.457 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.700 9.668 1.233 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.653 11.898 2.376 1.00 0.00 C ATOM 1909 CD1 ILE A 114 6.424 8.906 2.511 1.00 0.00 C ATOM 0 H ILE A 114 8.612 9.866 -0.449 1.00 0.00 H new ATOM 0 HA ILE A 114 6.781 11.998 -0.328 1.00 0.00 H new ATOM 0 HB ILE A 114 8.401 10.761 1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.755 9.877 0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.284 9.038 0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.464 11.389 3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.221 12.810 2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.703 12.152 1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.892 7.984 2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.367 8.666 3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.814 9.518 3.175 1.00 0.00 H new ATOM 1921 N PRO A 115 8.008 14.111 0.394 1.00 0.00 N ATOM 1922 CA PRO A 115 8.748 15.353 0.629 1.00 0.00 C ATOM 1923 C PRO A 115 9.164 15.511 2.088 1.00 0.00 C ATOM 1924 O PRO A 115 10.272 15.958 2.385 1.00 0.00 O ATOM 1925 CB PRO A 115 7.747 16.439 0.238 1.00 0.00 C ATOM 1926 CG PRO A 115 6.413 15.827 0.496 1.00 0.00 C ATOM 1927 CD PRO A 115 6.564 14.358 0.205 1.00 0.00 C ATOM 0 HA PRO A 115 9.679 15.388 0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.890 17.343 0.830 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.858 16.723 -0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 115 6.103 15.990 1.528 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.650 16.274 -0.141 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.962 13.752 0.882 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.245 14.116 -0.809 1.00 0.00 H new