USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 970 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 71 THR OG1 : rot 11:sc= -2.5! USER MOD Set 1.2: A 73 HIS : no HD1:sc= -12.1! C(o=-39!,f=-40!) USER MOD Set 1.3: A 75 HIS : no HD1:sc= -24.3! C(o=-39!,f=-57!) USER MOD Set 2.1: A 60 ASN : amide:sc= -6.79! C(o=-16!,f=-18!) USER MOD Set 2.2: A 65 ASN : amide:sc= -9.24! C(o=-16!,f=-22!) USER MOD Set 3.1: A 34 TYR OH : rot 130:sc= -2.44! USER MOD Set 3.2: A 64 HIS : no HD1:sc= -7.4! C(o=-9.8!,f=-8.3!) USER MOD Set 4.1: A 57 SER OG : rot -126:sc= -3.25! USER MOD Set 4.2: A 59 HIS : no HE2:sc= -12.4! C(o=-16!,f=-24!) USER MOD Set 5.1: A 36 THR OG1 : rot 180:sc= 0.295 USER MOD Set 5.2: A 39 LYS NZ :NH3+ -108:sc= -6.7! (180deg=-9.38!) USER MOD Set 6.1: A 20 HIS : no HD1:sc= -0.131 K(o=-0.13,f=-2.3) USER MOD Set 6.2: A 96 LYS NZ :NH3+ -125:sc=-0.00152 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.358) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0776 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 170:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.239 K(o=-0.24,f=-2.6!) USER MOD Single : A 27 THR OG1 : rot 41:sc= 0.0947 USER MOD Single : A 30 CYS SG : rot -147:sc= -6.79! USER MOD Single : A 35 THR OG1 : rot -168:sc= -1.59! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 153:sc= -0.793! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 149:sc= -1.93 (180deg=-4.68!) USER MOD Single : A 50 LYS NZ :NH3+ -145:sc= -0.587 (180deg=-1.27!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -73:sc= 1.05 USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.96! USER MOD Single : A 61 SER OG : rot 114:sc= 0.131! USER MOD Single : A 62 TYR OH : rot 30:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -3.71! K(o=-3.7!,f=-1.4) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -4.53! K(o=-4.5!,f=-2.1) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0.41) USER MOD Single : A 83 TYR OH : rot -70:sc= -3! USER MOD Single : A 85 GLN : amide:sc= -6.6! C(o=-6.6!,f=-4.3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot -30:sc= -0.769 USER MOD Single : A 89 THR OG1 : rot -5:sc= 1.81 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot 170:sc= -3.4 USER MOD Single : A 99 ASN : amide:sc= -0.0517 X(o=-0.052,f=-0.42) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -119:sc= -2.18 (180deg=-3.99!) USER MOD Single : A 105 TYR OH : rot 59:sc= -0.08 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -43:sc= 0.0541 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP A 6 108.082 -5.953 17.847 1.00 0.00 N ATOM 75 CA ASP A 6 107.850 -5.684 16.404 1.00 0.00 C ATOM 76 C ASP A 6 107.916 -4.175 16.147 1.00 0.00 C ATOM 77 O ASP A 6 107.744 -3.386 17.055 1.00 0.00 O ATOM 78 CB ASP A 6 106.469 -6.210 16.014 1.00 0.00 C ATOM 79 CG ASP A 6 106.277 -7.614 16.588 1.00 0.00 C ATOM 80 OD1 ASP A 6 107.262 -8.204 17.001 1.00 0.00 O ATOM 81 OD2 ASP A 6 105.148 -8.078 16.602 1.00 0.00 O ATOM 0 HA ASP A 6 108.615 -6.183 15.809 1.00 0.00 H new ATOM 0 HB2 ASP A 6 105.694 -5.542 16.391 1.00 0.00 H new ATOM 0 HB3 ASP A 6 106.370 -6.233 14.929 1.00 0.00 H new ATOM 86 N PRO A 7 108.165 -3.822 14.912 1.00 0.00 N ATOM 87 CA PRO A 7 108.263 -2.412 14.493 1.00 0.00 C ATOM 88 C PRO A 7 106.868 -1.796 14.355 1.00 0.00 C ATOM 89 O PRO A 7 106.001 -2.339 13.701 1.00 0.00 O ATOM 90 CB PRO A 7 108.964 -2.489 13.134 1.00 0.00 C ATOM 91 CG PRO A 7 108.720 -3.920 12.598 1.00 0.00 C ATOM 92 CD PRO A 7 108.374 -4.795 13.817 1.00 0.00 C ATOM 0 HA PRO A 7 108.799 -1.788 15.208 1.00 0.00 H new ATOM 0 HB2 PRO A 7 108.563 -1.743 12.447 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.031 -2.289 13.235 1.00 0.00 H new ATOM 0 HG2 PRO A 7 107.907 -3.928 11.872 1.00 0.00 H new ATOM 0 HG3 PRO A 7 109.606 -4.299 12.088 1.00 0.00 H new ATOM 0 HD2 PRO A 7 107.480 -5.392 13.638 1.00 0.00 H new ATOM 0 HD3 PRO A 7 109.180 -5.490 14.050 1.00 0.00 H new ATOM 100 N LYS A 8 106.647 -0.665 14.968 1.00 0.00 N ATOM 101 CA LYS A 8 105.311 -0.016 14.871 1.00 0.00 C ATOM 102 C LYS A 8 105.301 0.960 13.693 1.00 0.00 C ATOM 103 O LYS A 8 104.291 1.562 13.384 1.00 0.00 O ATOM 104 CB LYS A 8 105.014 0.741 16.167 1.00 0.00 C ATOM 105 CG LYS A 8 103.589 0.427 16.627 1.00 0.00 C ATOM 106 CD LYS A 8 103.036 1.606 17.429 1.00 0.00 C ATOM 107 CE LYS A 8 101.846 1.138 18.268 1.00 0.00 C ATOM 108 NZ LYS A 8 100.860 0.448 17.389 1.00 0.00 N ATOM 0 H LYS A 8 107.334 -0.164 15.531 1.00 0.00 H new ATOM 0 HA LYS A 8 104.548 -0.779 14.715 1.00 0.00 H new ATOM 0 HB2 LYS A 8 105.728 0.455 16.939 1.00 0.00 H new ATOM 0 HB3 LYS A 8 105.128 1.813 16.009 1.00 0.00 H new ATOM 0 HG2 LYS A 8 102.953 0.231 15.764 1.00 0.00 H new ATOM 0 HG3 LYS A 8 103.584 -0.476 17.238 1.00 0.00 H new ATOM 0 HD2 LYS A 8 103.812 2.016 18.076 1.00 0.00 H new ATOM 0 HD3 LYS A 8 102.728 2.405 16.755 1.00 0.00 H new ATOM 0 HE2 LYS A 8 102.184 0.462 19.054 1.00 0.00 H new ATOM 0 HE3 LYS A 8 101.377 1.990 18.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 99.948 0.371 17.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 100.734 0.994 16.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 101.209 -0.504 17.156 1.00 0.00 H new ATOM 122 N ASP A 9 106.415 1.123 13.030 1.00 0.00 N ATOM 123 CA ASP A 9 106.459 2.061 11.873 1.00 0.00 C ATOM 124 C ASP A 9 107.900 2.202 11.379 1.00 0.00 C ATOM 125 O ASP A 9 108.770 1.437 11.746 1.00 0.00 O ATOM 126 CB ASP A 9 105.934 3.431 12.306 1.00 0.00 C ATOM 127 CG ASP A 9 104.781 3.848 11.391 1.00 0.00 C ATOM 128 OD1 ASP A 9 104.867 3.581 10.204 1.00 0.00 O ATOM 129 OD2 ASP A 9 103.832 4.428 11.893 1.00 0.00 O ATOM 0 H ASP A 9 107.293 0.648 13.239 1.00 0.00 H new ATOM 0 HA ASP A 9 105.837 1.669 11.068 1.00 0.00 H new ATOM 0 HB2 ASP A 9 105.595 3.392 13.341 1.00 0.00 H new ATOM 0 HB3 ASP A 9 106.734 4.170 12.260 1.00 0.00 H new ATOM 134 N PHE A 10 108.159 3.177 10.552 1.00 0.00 N ATOM 135 CA PHE A 10 109.543 3.370 10.036 1.00 0.00 C ATOM 136 C PHE A 10 110.383 4.084 11.096 1.00 0.00 C ATOM 137 O PHE A 10 109.846 4.700 11.996 1.00 0.00 O ATOM 138 CB PHE A 10 109.503 4.228 8.768 1.00 0.00 C ATOM 139 CG PHE A 10 108.952 3.418 7.619 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.696 2.808 7.729 1.00 0.00 C ATOM 141 CD2 PHE A 10 109.696 3.280 6.440 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.185 2.063 6.660 1.00 0.00 C ATOM 143 CE2 PHE A 10 109.185 2.534 5.372 1.00 0.00 C ATOM 144 CZ PHE A 10 107.929 1.925 5.482 1.00 0.00 C ATOM 0 H PHE A 10 107.471 3.849 10.211 1.00 0.00 H new ATOM 0 HA PHE A 10 109.982 2.399 9.807 1.00 0.00 H new ATOM 0 HB2 PHE A 10 108.883 5.109 8.934 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.505 4.584 8.527 1.00 0.00 H new ATOM 0 HD1 PHE A 10 107.122 2.912 8.638 1.00 0.00 H new ATOM 0 HD2 PHE A 10 110.665 3.750 6.355 1.00 0.00 H new ATOM 0 HE1 PHE A 10 106.216 1.594 6.744 1.00 0.00 H new ATOM 0 HE2 PHE A 10 109.759 2.428 4.463 1.00 0.00 H new ATOM 0 HZ PHE A 10 107.534 1.349 4.658 1.00 0.00 H new ATOM 154 N PRO A 11 111.679 3.988 10.954 1.00 0.00 N ATOM 155 CA PRO A 11 112.622 4.624 11.884 1.00 0.00 C ATOM 156 C PRO A 11 112.733 6.118 11.563 1.00 0.00 C ATOM 157 O PRO A 11 112.573 6.529 10.432 1.00 0.00 O ATOM 158 CB PRO A 11 113.941 3.891 11.613 1.00 0.00 C ATOM 159 CG PRO A 11 113.825 3.295 10.191 1.00 0.00 C ATOM 160 CD PRO A 11 112.323 3.237 9.856 1.00 0.00 C ATOM 0 HA PRO A 11 112.323 4.558 12.930 1.00 0.00 H new ATOM 0 HB2 PRO A 11 114.787 4.576 11.679 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.108 3.106 12.351 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.359 3.912 9.468 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.269 2.300 10.151 1.00 0.00 H new ATOM 0 HD2 PRO A 11 112.113 3.690 8.887 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.964 2.209 9.812 1.00 0.00 H new ATOM 168 N SER A 12 112.989 6.933 12.547 1.00 0.00 N ATOM 169 CA SER A 12 113.092 8.399 12.292 1.00 0.00 C ATOM 170 C SER A 12 114.246 8.683 11.324 1.00 0.00 C ATOM 171 O SER A 12 114.244 9.670 10.616 1.00 0.00 O ATOM 172 CB SER A 12 113.347 9.126 13.613 1.00 0.00 C ATOM 173 OG SER A 12 112.975 8.280 14.693 1.00 0.00 O ATOM 0 H SER A 12 113.131 6.649 13.516 1.00 0.00 H new ATOM 0 HA SER A 12 112.160 8.752 11.850 1.00 0.00 H new ATOM 0 HB2 SER A 12 114.399 9.398 13.695 1.00 0.00 H new ATOM 0 HB3 SER A 12 112.775 10.053 13.648 1.00 0.00 H new ATOM 0 HG SER A 12 113.139 8.742 15.542 1.00 0.00 H new ATOM 179 N GLU A 13 115.233 7.830 11.293 1.00 0.00 N ATOM 180 CA GLU A 13 116.390 8.057 10.381 1.00 0.00 C ATOM 181 C GLU A 13 115.909 8.182 8.932 1.00 0.00 C ATOM 182 O GLU A 13 116.632 8.637 8.069 1.00 0.00 O ATOM 183 CB GLU A 13 117.361 6.881 10.494 1.00 0.00 C ATOM 184 CG GLU A 13 118.686 7.371 11.079 1.00 0.00 C ATOM 185 CD GLU A 13 119.526 6.171 11.518 1.00 0.00 C ATOM 186 OE1 GLU A 13 119.442 5.144 10.864 1.00 0.00 O ATOM 187 OE2 GLU A 13 120.236 6.298 12.501 1.00 0.00 O ATOM 0 H GLU A 13 115.288 6.984 11.861 1.00 0.00 H new ATOM 0 HA GLU A 13 116.891 8.982 10.667 1.00 0.00 H new ATOM 0 HB2 GLU A 13 116.936 6.104 11.129 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.526 6.436 9.513 1.00 0.00 H new ATOM 0 HG2 GLU A 13 119.229 7.956 10.337 1.00 0.00 H new ATOM 0 HG3 GLU A 13 118.500 8.028 11.929 1.00 0.00 H new ATOM 194 N LEU A 14 114.700 7.780 8.653 1.00 0.00 N ATOM 195 CA LEU A 14 114.192 7.877 7.253 1.00 0.00 C ATOM 196 C LEU A 14 112.875 8.653 7.230 1.00 0.00 C ATOM 197 O LEU A 14 112.378 9.013 6.181 1.00 0.00 O ATOM 198 CB LEU A 14 113.959 6.474 6.699 1.00 0.00 C ATOM 199 CG LEU A 14 115.305 5.821 6.395 1.00 0.00 C ATOM 200 CD1 LEU A 14 115.756 5.006 7.608 1.00 0.00 C ATOM 201 CD2 LEU A 14 115.159 4.898 5.183 1.00 0.00 C ATOM 0 H LEU A 14 114.043 7.390 9.329 1.00 0.00 H new ATOM 0 HA LEU A 14 114.928 8.398 6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 14 113.405 5.873 7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 14 113.353 6.524 5.794 1.00 0.00 H new ATOM 0 HG LEU A 14 116.046 6.590 6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 14 116.717 4.538 7.395 1.00 0.00 H new ATOM 0 HD12 LEU A 14 115.856 5.664 8.471 1.00 0.00 H new ATOM 0 HD13 LEU A 14 115.017 4.235 7.823 1.00 0.00 H new ATOM 0 HD21 LEU A 14 116.119 4.431 4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 14 114.421 4.126 5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 14 114.833 5.479 4.320 1.00 0.00 H new ATOM 213 N LEU A 15 112.303 8.916 8.372 1.00 0.00 N ATOM 214 CA LEU A 15 111.018 9.668 8.394 1.00 0.00 C ATOM 215 C LEU A 15 111.193 10.976 7.624 1.00 0.00 C ATOM 216 O LEU A 15 110.238 11.584 7.184 1.00 0.00 O ATOM 217 CB LEU A 15 110.622 9.966 9.842 1.00 0.00 C ATOM 218 CG LEU A 15 110.227 8.666 10.545 1.00 0.00 C ATOM 219 CD1 LEU A 15 109.782 8.974 11.975 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.073 8.000 9.789 1.00 0.00 C ATOM 0 H LEU A 15 112.667 8.645 9.285 1.00 0.00 H new ATOM 0 HA LEU A 15 110.233 9.072 7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 15 111.453 10.437 10.367 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.790 10.670 9.864 1.00 0.00 H new ATOM 0 HG LEU A 15 111.085 7.993 10.564 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.501 8.048 12.476 1.00 0.00 H new ATOM 0 HD12 LEU A 15 110.601 9.445 12.518 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.926 9.649 11.952 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.794 7.074 10.293 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.216 8.673 9.767 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.386 7.778 8.769 1.00 0.00 H new ATOM 232 N SER A 16 112.410 11.408 7.449 1.00 0.00 N ATOM 233 CA SER A 16 112.652 12.670 6.699 1.00 0.00 C ATOM 234 C SER A 16 111.877 12.627 5.380 1.00 0.00 C ATOM 235 O SER A 16 110.845 13.251 5.231 1.00 0.00 O ATOM 236 CB SER A 16 114.146 12.800 6.403 1.00 0.00 C ATOM 237 OG SER A 16 114.376 13.992 5.663 1.00 0.00 O ATOM 0 H SER A 16 113.248 10.941 7.794 1.00 0.00 H new ATOM 0 HA SER A 16 112.320 13.522 7.293 1.00 0.00 H new ATOM 0 HB2 SER A 16 114.712 12.821 7.334 1.00 0.00 H new ATOM 0 HB3 SER A 16 114.493 11.935 5.838 1.00 0.00 H new ATOM 0 HG SER A 16 115.333 14.079 5.473 1.00 0.00 H new ATOM 243 N PHE A 17 112.372 11.894 4.423 1.00 0.00 N ATOM 244 CA PHE A 17 111.674 11.805 3.107 1.00 0.00 C ATOM 245 C PHE A 17 110.589 10.725 3.159 1.00 0.00 C ATOM 246 O PHE A 17 110.711 9.681 2.550 1.00 0.00 O ATOM 247 CB PHE A 17 112.679 11.461 1.998 1.00 0.00 C ATOM 248 CG PHE A 17 113.701 10.448 2.484 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.355 9.470 3.427 1.00 0.00 C ATOM 250 CD2 PHE A 17 115.005 10.489 1.971 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.309 8.544 3.856 1.00 0.00 C ATOM 252 CE2 PHE A 17 115.958 9.559 2.400 1.00 0.00 C ATOM 253 CZ PHE A 17 115.609 8.587 3.344 1.00 0.00 C ATOM 0 H PHE A 17 113.232 11.350 4.494 1.00 0.00 H new ATOM 0 HA PHE A 17 111.215 12.770 2.892 1.00 0.00 H new ATOM 0 HB2 PHE A 17 112.149 11.062 1.133 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.188 12.367 1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.351 9.432 3.822 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.274 11.240 1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 17 114.042 7.793 4.585 1.00 0.00 H new ATOM 0 HE2 PHE A 17 116.962 9.591 2.003 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.344 7.870 3.677 1.00 0.00 H new ATOM 263 N LEU A 18 109.527 10.967 3.875 1.00 0.00 N ATOM 264 CA LEU A 18 108.441 9.950 3.956 1.00 0.00 C ATOM 265 C LEU A 18 107.081 10.647 3.893 1.00 0.00 C ATOM 266 O LEU A 18 106.815 11.579 4.626 1.00 0.00 O ATOM 267 CB LEU A 18 108.561 9.176 5.271 1.00 0.00 C ATOM 268 CG LEU A 18 109.297 7.860 5.022 1.00 0.00 C ATOM 269 CD1 LEU A 18 109.454 7.104 6.342 1.00 0.00 C ATOM 270 CD2 LEU A 18 108.495 7.005 4.039 1.00 0.00 C ATOM 0 H LEU A 18 109.364 11.822 4.406 1.00 0.00 H new ATOM 0 HA LEU A 18 108.531 9.257 3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 18 109.099 9.772 6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.571 8.979 5.681 1.00 0.00 H new ATOM 0 HG LEU A 18 110.282 8.069 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 18 109.979 6.166 6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 18 110.025 7.712 7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 18 108.470 6.895 6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 18 109.020 6.066 3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 18 107.510 6.797 4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 18 108.383 7.542 3.097 1.00 0.00 H new ATOM 282 N SER A 19 106.217 10.204 3.021 1.00 0.00 N ATOM 283 CA SER A 19 104.876 10.842 2.910 1.00 0.00 C ATOM 284 C SER A 19 103.968 10.320 4.025 1.00 0.00 C ATOM 285 O SER A 19 103.423 9.237 3.939 1.00 0.00 O ATOM 286 CB SER A 19 104.261 10.501 1.551 1.00 0.00 C ATOM 287 OG SER A 19 102.845 10.593 1.641 1.00 0.00 O ATOM 0 H SER A 19 106.382 9.427 2.381 1.00 0.00 H new ATOM 0 HA SER A 19 104.979 11.923 3.002 1.00 0.00 H new ATOM 0 HB2 SER A 19 104.634 11.185 0.788 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.553 9.495 1.248 1.00 0.00 H new ATOM 0 HG SER A 19 102.456 10.535 0.744 1.00 0.00 H new ATOM 293 N HIS A 20 103.803 11.081 5.072 1.00 0.00 N ATOM 294 CA HIS A 20 102.932 10.630 6.193 1.00 0.00 C ATOM 295 C HIS A 20 101.474 10.957 5.868 1.00 0.00 C ATOM 296 O HIS A 20 101.037 12.084 5.995 1.00 0.00 O ATOM 297 CB HIS A 20 103.342 11.351 7.479 1.00 0.00 C ATOM 298 CG HIS A 20 104.834 11.537 7.495 1.00 0.00 C ATOM 299 ND1 HIS A 20 105.705 10.499 7.784 1.00 0.00 N ATOM 300 CD2 HIS A 20 105.624 12.636 7.261 1.00 0.00 C ATOM 301 CE1 HIS A 20 106.956 10.988 7.717 1.00 0.00 C ATOM 302 NE2 HIS A 20 106.964 12.287 7.402 1.00 0.00 N ATOM 0 H HIS A 20 104.234 11.996 5.199 1.00 0.00 H new ATOM 0 HA HIS A 20 103.042 9.554 6.329 1.00 0.00 H new ATOM 0 HB2 HIS A 20 102.843 12.318 7.541 1.00 0.00 H new ATOM 0 HB3 HIS A 20 103.027 10.774 8.348 1.00 0.00 H new ATOM 0 HD2 HIS A 20 105.261 13.621 7.006 1.00 0.00 H new ATOM 0 HE1 HIS A 20 107.846 10.403 7.896 1.00 0.00 H new ATOM 0 HE2 HIS A 20 107.777 12.892 7.289 1.00 0.00 H new ATOM 310 N ALA A 21 100.716 9.980 5.448 1.00 0.00 N ATOM 311 CA ALA A 21 99.287 10.237 5.115 1.00 0.00 C ATOM 312 C ALA A 21 98.619 8.929 4.687 1.00 0.00 C ATOM 313 O ALA A 21 99.151 8.180 3.891 1.00 0.00 O ATOM 314 CB ALA A 21 99.204 11.249 3.970 1.00 0.00 C ATOM 0 H ALA A 21 101.025 9.016 5.321 1.00 0.00 H new ATOM 0 HA ALA A 21 98.777 10.636 5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.159 11.437 3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 21 99.679 12.182 4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.715 10.850 3.094 1.00 0.00 H new ATOM 320 N VAL A 22 97.456 8.646 5.209 1.00 0.00 N ATOM 321 CA VAL A 22 96.756 7.386 4.830 1.00 0.00 C ATOM 322 C VAL A 22 95.419 7.726 4.170 1.00 0.00 C ATOM 323 O VAL A 22 94.922 6.991 3.340 1.00 0.00 O ATOM 324 CB VAL A 22 96.508 6.541 6.082 1.00 0.00 C ATOM 325 CG1 VAL A 22 96.449 5.062 5.696 1.00 0.00 C ATOM 326 CG2 VAL A 22 97.644 6.761 7.082 1.00 0.00 C ATOM 0 H VAL A 22 96.961 9.233 5.881 1.00 0.00 H new ATOM 0 HA VAL A 22 97.374 6.823 4.131 1.00 0.00 H new ATOM 0 HB VAL A 22 95.562 6.837 6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 22 96.272 4.460 6.587 1.00 0.00 H new ATOM 0 HG12 VAL A 22 95.638 4.904 4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 22 97.394 4.767 5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 22 97.466 6.159 7.973 1.00 0.00 H new ATOM 0 HG22 VAL A 22 98.590 6.467 6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 22 97.686 7.814 7.359 1.00 0.00 H new ATOM 336 N PHE A 23 94.832 8.833 4.532 1.00 0.00 N ATOM 337 CA PHE A 23 93.527 9.218 3.925 1.00 0.00 C ATOM 338 C PHE A 23 93.680 10.548 3.184 1.00 0.00 C ATOM 339 O PHE A 23 92.714 11.137 2.742 1.00 0.00 O ATOM 340 CB PHE A 23 92.475 9.367 5.026 1.00 0.00 C ATOM 341 CG PHE A 23 91.885 8.015 5.347 1.00 0.00 C ATOM 342 CD1 PHE A 23 90.949 7.436 4.482 1.00 0.00 C ATOM 343 CD2 PHE A 23 92.274 7.340 6.511 1.00 0.00 C ATOM 344 CE1 PHE A 23 90.402 6.181 4.780 1.00 0.00 C ATOM 345 CE2 PHE A 23 91.727 6.086 6.809 1.00 0.00 C ATOM 346 CZ PHE A 23 90.791 5.507 5.943 1.00 0.00 C ATOM 0 H PHE A 23 95.200 9.488 5.222 1.00 0.00 H new ATOM 0 HA PHE A 23 93.212 8.445 3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 23 92.927 9.799 5.919 1.00 0.00 H new ATOM 0 HB3 PHE A 23 91.690 10.051 4.703 1.00 0.00 H new ATOM 0 HD1 PHE A 23 90.648 7.957 3.585 1.00 0.00 H new ATOM 0 HD2 PHE A 23 92.996 7.787 7.179 1.00 0.00 H new ATOM 0 HE1 PHE A 23 89.680 5.734 4.112 1.00 0.00 H new ATOM 0 HE2 PHE A 23 92.027 5.565 7.706 1.00 0.00 H new ATOM 0 HZ PHE A 23 90.369 4.540 6.173 1.00 0.00 H new ATOM 356 N SER A 24 94.885 11.028 3.047 1.00 0.00 N ATOM 357 CA SER A 24 95.095 12.319 2.336 1.00 0.00 C ATOM 358 C SER A 24 94.306 12.314 1.026 1.00 0.00 C ATOM 359 O SER A 24 93.914 11.276 0.530 1.00 0.00 O ATOM 360 CB SER A 24 96.584 12.501 2.035 1.00 0.00 C ATOM 361 OG SER A 24 97.054 11.381 1.298 1.00 0.00 O ATOM 0 H SER A 24 95.733 10.582 3.397 1.00 0.00 H new ATOM 0 HA SER A 24 94.750 13.140 2.965 1.00 0.00 H new ATOM 0 HB2 SER A 24 96.743 13.417 1.467 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.145 12.601 2.964 1.00 0.00 H new ATOM 0 HG SER A 24 98.007 11.495 1.102 1.00 0.00 H new ATOM 367 N ASN A 25 94.067 13.466 0.460 1.00 0.00 N ATOM 368 CA ASN A 25 93.301 13.523 -0.816 1.00 0.00 C ATOM 369 C ASN A 25 94.270 13.434 -1.998 1.00 0.00 C ATOM 370 O ASN A 25 93.904 13.025 -3.082 1.00 0.00 O ATOM 371 CB ASN A 25 92.531 14.843 -0.890 1.00 0.00 C ATOM 372 CG ASN A 25 91.256 14.647 -1.713 1.00 0.00 C ATOM 373 OD1 ASN A 25 90.665 13.585 -1.694 1.00 0.00 O ATOM 374 ND2 ASN A 25 90.806 15.632 -2.440 1.00 0.00 N ATOM 0 H ASN A 25 94.369 14.369 0.826 1.00 0.00 H new ATOM 0 HA ASN A 25 92.600 12.689 -0.856 1.00 0.00 H new ATOM 0 HB2 ASN A 25 92.279 15.186 0.114 1.00 0.00 H new ATOM 0 HB3 ASN A 25 93.154 15.614 -1.343 1.00 0.00 H new ATOM 0 HD21 ASN A 25 89.958 15.511 -2.993 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.303 16.523 -2.455 1.00 0.00 H new ATOM 381 N ARG A 26 95.503 13.811 -1.797 1.00 0.00 N ATOM 382 CA ARG A 26 96.492 13.747 -2.909 1.00 0.00 C ATOM 383 C ARG A 26 96.764 12.284 -3.265 1.00 0.00 C ATOM 384 O ARG A 26 96.586 11.395 -2.457 1.00 0.00 O ATOM 385 CB ARG A 26 97.796 14.417 -2.471 1.00 0.00 C ATOM 386 CG ARG A 26 97.809 15.871 -2.949 1.00 0.00 C ATOM 387 CD ARG A 26 96.560 16.589 -2.435 1.00 0.00 C ATOM 388 NE ARG A 26 96.775 17.011 -1.021 1.00 0.00 N ATOM 389 CZ ARG A 26 97.509 18.057 -0.757 1.00 0.00 C ATOM 390 NH1 ARG A 26 97.098 19.247 -1.104 1.00 0.00 N ATOM 391 NH2 ARG A 26 98.653 17.916 -0.146 1.00 0.00 N ATOM 0 H ARG A 26 95.868 14.160 -0.911 1.00 0.00 H new ATOM 0 HA ARG A 26 96.093 14.265 -3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 26 97.890 14.379 -1.386 1.00 0.00 H new ATOM 0 HB3 ARG A 26 98.650 13.880 -2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 26 98.705 16.375 -2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 26 97.839 15.907 -4.038 1.00 0.00 H new ATOM 0 HD2 ARG A 26 96.346 17.458 -3.057 1.00 0.00 H new ATOM 0 HD3 ARG A 26 95.695 15.929 -2.501 1.00 0.00 H new ATOM 0 HE ARG A 26 96.348 16.482 -0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 26 96.203 19.359 -1.581 1.00 0.00 H new ATOM 0 HH12 ARG A 26 97.672 20.065 -0.898 1.00 0.00 H new ATOM 0 HH21 ARG A 26 98.975 16.987 0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 26 99.226 18.735 0.060 1.00 0.00 H new ATOM 405 N THR A 27 97.192 12.028 -4.471 1.00 0.00 N ATOM 406 CA THR A 27 97.473 10.623 -4.879 1.00 0.00 C ATOM 407 C THR A 27 98.969 10.461 -5.161 1.00 0.00 C ATOM 408 O THR A 27 99.548 11.202 -5.930 1.00 0.00 O ATOM 409 CB THR A 27 96.676 10.292 -6.144 1.00 0.00 C ATOM 410 OG1 THR A 27 96.812 11.355 -7.077 1.00 0.00 O ATOM 411 CG2 THR A 27 95.201 10.109 -5.788 1.00 0.00 C ATOM 0 H THR A 27 97.359 12.731 -5.191 1.00 0.00 H new ATOM 0 HA THR A 27 97.181 9.946 -4.076 1.00 0.00 H new ATOM 0 HB THR A 27 97.057 9.370 -6.583 1.00 0.00 H new ATOM 0 HG1 THR A 27 97.738 11.675 -7.076 1.00 0.00 H new ATOM 0 HG21 THR A 27 94.636 9.874 -6.690 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.098 9.294 -5.072 1.00 0.00 H new ATOM 0 HG23 THR A 27 94.816 11.029 -5.348 1.00 0.00 H new ATOM 419 N LEU A 28 99.598 9.499 -4.545 1.00 0.00 N ATOM 420 CA LEU A 28 101.055 9.293 -4.778 1.00 0.00 C ATOM 421 C LEU A 28 101.256 8.142 -5.767 1.00 0.00 C ATOM 422 O LEU A 28 100.366 7.347 -5.998 1.00 0.00 O ATOM 423 CB LEU A 28 101.741 8.952 -3.454 1.00 0.00 C ATOM 424 CG LEU A 28 102.494 10.180 -2.939 1.00 0.00 C ATOM 425 CD1 LEU A 28 101.496 11.198 -2.386 1.00 0.00 C ATOM 426 CD2 LEU A 28 103.457 9.757 -1.827 1.00 0.00 C ATOM 0 H LEU A 28 99.166 8.847 -3.890 1.00 0.00 H new ATOM 0 HA LEU A 28 101.489 10.205 -5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 28 101.001 8.632 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 28 102.432 8.121 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 28 103.056 10.630 -3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 28 102.034 12.072 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 28 100.808 11.500 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 28 100.933 10.749 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 28 103.994 10.631 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 28 102.894 9.307 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 28 104.170 9.032 -2.219 1.00 0.00 H new ATOM 438 N ALA A 29 102.418 8.044 -6.353 1.00 0.00 N ATOM 439 CA ALA A 29 102.672 6.944 -7.323 1.00 0.00 C ATOM 440 C ALA A 29 103.778 6.032 -6.783 1.00 0.00 C ATOM 441 O ALA A 29 103.910 4.893 -7.185 1.00 0.00 O ATOM 442 CB ALA A 29 103.107 7.536 -8.666 1.00 0.00 C ATOM 0 H ALA A 29 103.202 8.679 -6.201 1.00 0.00 H new ATOM 0 HA ALA A 29 101.759 6.365 -7.462 1.00 0.00 H new ATOM 0 HB1 ALA A 29 103.293 6.730 -9.376 1.00 0.00 H new ATOM 0 HB2 ALA A 29 102.319 8.184 -9.050 1.00 0.00 H new ATOM 0 HB3 ALA A 29 104.019 8.117 -8.529 1.00 0.00 H new ATOM 448 N CYS A 30 104.573 6.521 -5.867 1.00 0.00 N ATOM 449 CA CYS A 30 105.663 5.676 -5.296 1.00 0.00 C ATOM 450 C CYS A 30 105.333 5.355 -3.840 1.00 0.00 C ATOM 451 O CYS A 30 104.807 6.179 -3.116 1.00 0.00 O ATOM 452 CB CYS A 30 106.997 6.422 -5.360 1.00 0.00 C ATOM 453 SG CYS A 30 108.235 5.517 -4.396 1.00 0.00 S ATOM 0 H CYS A 30 104.515 7.467 -5.490 1.00 0.00 H new ATOM 0 HA CYS A 30 105.744 4.755 -5.874 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.324 6.518 -6.395 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.881 7.432 -4.968 1.00 0.00 H new ATOM 0 HG CYS A 30 109.067 6.359 -3.858 1.00 0.00 H new ATOM 459 N PHE A 31 105.630 4.162 -3.402 1.00 0.00 N ATOM 460 CA PHE A 31 105.321 3.800 -1.989 1.00 0.00 C ATOM 461 C PHE A 31 106.460 2.967 -1.393 1.00 0.00 C ATOM 462 O PHE A 31 107.094 2.171 -2.066 1.00 0.00 O ATOM 463 CB PHE A 31 104.024 2.986 -1.936 1.00 0.00 C ATOM 464 CG PHE A 31 102.936 3.691 -2.713 1.00 0.00 C ATOM 465 CD1 PHE A 31 103.033 3.813 -4.103 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.822 4.216 -2.042 1.00 0.00 C ATOM 467 CE1 PHE A 31 102.024 4.459 -4.822 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.811 4.860 -2.762 1.00 0.00 C ATOM 469 CZ PHE A 31 100.911 4.982 -4.154 1.00 0.00 C ATOM 0 H PHE A 31 106.070 3.427 -3.956 1.00 0.00 H new ATOM 0 HA PHE A 31 105.206 4.717 -1.411 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.192 1.992 -2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.713 2.851 -0.900 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.889 3.407 -4.621 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.745 4.123 -0.969 1.00 0.00 H new ATOM 0 HE1 PHE A 31 102.103 4.555 -5.895 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.953 5.263 -2.245 1.00 0.00 H new ATOM 0 HZ PHE A 31 100.130 5.479 -4.711 1.00 0.00 H new ATOM 479 N ALA A 32 106.713 3.142 -0.123 1.00 0.00 N ATOM 480 CA ALA A 32 107.790 2.369 0.550 1.00 0.00 C ATOM 481 C ALA A 32 107.150 1.389 1.530 1.00 0.00 C ATOM 482 O ALA A 32 106.578 1.780 2.528 1.00 0.00 O ATOM 483 CB ALA A 32 108.707 3.323 1.315 1.00 0.00 C ATOM 0 H ALA A 32 106.213 3.795 0.480 1.00 0.00 H new ATOM 0 HA ALA A 32 108.376 1.828 -0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.495 2.753 1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 32 109.153 4.034 0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 32 108.127 3.862 2.064 1.00 0.00 H new ATOM 489 N ILE A 33 107.230 0.120 1.252 1.00 0.00 N ATOM 490 CA ILE A 33 106.613 -0.874 2.171 1.00 0.00 C ATOM 491 C ILE A 33 107.655 -1.358 3.181 1.00 0.00 C ATOM 492 O ILE A 33 108.759 -1.720 2.830 1.00 0.00 O ATOM 493 CB ILE A 33 106.077 -2.060 1.349 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.652 -1.748 0.888 1.00 0.00 C ATOM 495 CG2 ILE A 33 106.058 -3.339 2.195 1.00 0.00 C ATOM 496 CD1 ILE A 33 104.239 -2.742 -0.201 1.00 0.00 C ATOM 0 H ILE A 33 107.694 -0.271 0.432 1.00 0.00 H new ATOM 0 HA ILE A 33 105.788 -0.412 2.713 1.00 0.00 H new ATOM 0 HB ILE A 33 106.730 -2.214 0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.964 -1.809 1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 33 104.597 -0.729 0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 33 105.676 -4.166 1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 33 107.070 -3.570 2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 33 105.415 -3.192 3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.224 -2.520 -0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 33 104.921 -2.659 -1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 33 104.278 -3.756 0.198 1.00 0.00 H new ATOM 508 N TYR A 34 107.293 -1.391 4.431 1.00 0.00 N ATOM 509 CA TYR A 34 108.231 -1.882 5.475 1.00 0.00 C ATOM 510 C TYR A 34 107.569 -3.075 6.153 1.00 0.00 C ATOM 511 O TYR A 34 106.658 -2.923 6.943 1.00 0.00 O ATOM 512 CB TYR A 34 108.501 -0.785 6.510 1.00 0.00 C ATOM 513 CG TYR A 34 109.165 -1.390 7.728 1.00 0.00 C ATOM 514 CD1 TYR A 34 109.902 -2.576 7.613 1.00 0.00 C ATOM 515 CD2 TYR A 34 109.040 -0.766 8.976 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.511 -3.137 8.739 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.650 -1.327 10.103 1.00 0.00 C ATOM 518 CZ TYR A 34 110.386 -2.512 9.986 1.00 0.00 C ATOM 519 OH TYR A 34 110.986 -3.065 11.099 1.00 0.00 O ATOM 0 H TYR A 34 106.380 -1.096 4.777 1.00 0.00 H new ATOM 0 HA TYR A 34 109.184 -2.164 5.027 1.00 0.00 H new ATOM 0 HB2 TYR A 34 109.140 -0.014 6.080 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.567 -0.302 6.795 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.000 -3.058 6.652 1.00 0.00 H new ATOM 0 HD2 TYR A 34 108.473 0.148 9.068 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.078 -4.052 8.647 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.553 -0.845 11.065 1.00 0.00 H new ATOM 0 HH TYR A 34 111.504 -2.377 11.567 1.00 0.00 H new ATOM 529 N THR A 35 107.994 -4.262 5.836 1.00 0.00 N ATOM 530 CA THR A 35 107.349 -5.450 6.453 1.00 0.00 C ATOM 531 C THR A 35 108.395 -6.508 6.771 1.00 0.00 C ATOM 532 O THR A 35 109.558 -6.375 6.442 1.00 0.00 O ATOM 533 CB THR A 35 106.331 -6.032 5.470 1.00 0.00 C ATOM 534 OG1 THR A 35 107.003 -6.437 4.286 1.00 0.00 O ATOM 535 CG2 THR A 35 105.287 -4.971 5.124 1.00 0.00 C ATOM 0 H THR A 35 108.752 -4.461 5.183 1.00 0.00 H new ATOM 0 HA THR A 35 106.853 -5.150 7.376 1.00 0.00 H new ATOM 0 HB THR A 35 105.836 -6.890 5.924 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.345 -6.631 3.586 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.563 -5.388 4.424 1.00 0.00 H new ATOM 0 HG22 THR A 35 104.773 -4.656 6.032 1.00 0.00 H new ATOM 0 HG23 THR A 35 105.779 -4.111 4.669 1.00 0.00 H new ATOM 543 N THR A 36 107.981 -7.566 7.402 1.00 0.00 N ATOM 544 CA THR A 36 108.932 -8.650 7.738 1.00 0.00 C ATOM 545 C THR A 36 109.395 -9.318 6.437 1.00 0.00 C ATOM 546 O THR A 36 108.714 -9.273 5.430 1.00 0.00 O ATOM 547 CB THR A 36 108.225 -9.655 8.653 1.00 0.00 C ATOM 548 OG1 THR A 36 107.209 -10.328 7.921 1.00 0.00 O ATOM 549 CG2 THR A 36 107.598 -8.901 9.835 1.00 0.00 C ATOM 0 H THR A 36 107.019 -7.726 7.700 1.00 0.00 H new ATOM 0 HA THR A 36 109.806 -8.258 8.259 1.00 0.00 H new ATOM 0 HB THR A 36 108.943 -10.386 9.025 1.00 0.00 H new ATOM 0 HG1 THR A 36 106.757 -10.972 8.505 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.093 -9.609 10.491 1.00 0.00 H new ATOM 0 HG22 THR A 36 108.379 -8.384 10.392 1.00 0.00 H new ATOM 0 HG23 THR A 36 106.877 -8.174 9.461 1.00 0.00 H new ATOM 557 N LYS A 37 110.558 -9.910 6.440 1.00 0.00 N ATOM 558 CA LYS A 37 111.082 -10.551 5.203 1.00 0.00 C ATOM 559 C LYS A 37 110.000 -11.411 4.535 1.00 0.00 C ATOM 560 O LYS A 37 109.782 -11.334 3.343 1.00 0.00 O ATOM 561 CB LYS A 37 112.275 -11.431 5.570 1.00 0.00 C ATOM 562 CG LYS A 37 111.824 -12.530 6.533 1.00 0.00 C ATOM 563 CD LYS A 37 113.033 -13.071 7.297 1.00 0.00 C ATOM 564 CE LYS A 37 112.562 -14.082 8.343 1.00 0.00 C ATOM 565 NZ LYS A 37 112.876 -15.463 7.877 1.00 0.00 N ATOM 0 H LYS A 37 111.171 -9.977 7.252 1.00 0.00 H new ATOM 0 HA LYS A 37 111.386 -9.773 4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.703 -11.874 4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.057 -10.828 6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.087 -12.135 7.232 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.340 -13.335 5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 37 113.731 -13.544 6.607 1.00 0.00 H new ATOM 0 HD3 LYS A 37 113.567 -12.253 7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 37 113.052 -13.889 9.297 1.00 0.00 H new ATOM 0 HE3 LYS A 37 111.490 -13.978 8.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 112.556 -16.151 8.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 112.389 -15.645 6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 113.903 -15.558 7.741 1.00 0.00 H new ATOM 579 N GLU A 38 109.334 -12.242 5.290 1.00 0.00 N ATOM 580 CA GLU A 38 108.288 -13.121 4.700 1.00 0.00 C ATOM 581 C GLU A 38 107.225 -12.282 3.987 1.00 0.00 C ATOM 582 O GLU A 38 106.696 -12.674 2.965 1.00 0.00 O ATOM 583 CB GLU A 38 107.623 -13.935 5.814 1.00 0.00 C ATOM 584 CG GLU A 38 107.374 -15.363 5.326 1.00 0.00 C ATOM 585 CD GLU A 38 106.041 -15.867 5.883 1.00 0.00 C ATOM 586 OE1 GLU A 38 105.192 -15.040 6.173 1.00 0.00 O ATOM 587 OE2 GLU A 38 105.892 -17.071 6.012 1.00 0.00 O ATOM 0 H GLU A 38 109.471 -12.349 6.295 1.00 0.00 H new ATOM 0 HA GLU A 38 108.756 -13.789 3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 38 108.260 -13.948 6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 38 106.681 -13.470 6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 38 107.358 -15.389 4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 38 108.185 -16.016 5.649 1.00 0.00 H new ATOM 594 N LYS A 39 106.898 -11.138 4.519 1.00 0.00 N ATOM 595 CA LYS A 39 105.858 -10.289 3.876 1.00 0.00 C ATOM 596 C LYS A 39 106.368 -9.743 2.539 1.00 0.00 C ATOM 597 O LYS A 39 105.877 -10.097 1.486 1.00 0.00 O ATOM 598 CB LYS A 39 105.520 -9.120 4.800 1.00 0.00 C ATOM 599 CG LYS A 39 104.123 -8.591 4.466 1.00 0.00 C ATOM 600 CD LYS A 39 103.337 -8.374 5.760 1.00 0.00 C ATOM 601 CE LYS A 39 103.356 -9.658 6.590 1.00 0.00 C ATOM 602 NZ LYS A 39 104.325 -9.507 7.711 1.00 0.00 N ATOM 0 H LYS A 39 107.306 -10.754 5.371 1.00 0.00 H new ATOM 0 HA LYS A 39 104.969 -10.894 3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 39 105.559 -9.442 5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 39 106.258 -8.326 4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 39 104.200 -7.655 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 39 103.599 -9.298 3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 39 103.773 -7.554 6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 39 102.309 -8.092 5.531 1.00 0.00 H new ATOM 0 HE2 LYS A 39 102.360 -9.866 6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 39 103.636 -10.505 5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 105.165 -10.092 7.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 104.609 -8.510 7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 103.879 -9.814 8.599 1.00 0.00 H new ATOM 616 N ALA A 40 107.339 -8.873 2.575 1.00 0.00 N ATOM 617 CA ALA A 40 107.869 -8.288 1.308 1.00 0.00 C ATOM 618 C ALA A 40 108.058 -9.380 0.253 1.00 0.00 C ATOM 619 O ALA A 40 107.664 -9.228 -0.886 1.00 0.00 O ATOM 620 CB ALA A 40 109.217 -7.620 1.579 1.00 0.00 C ATOM 0 H ALA A 40 107.790 -8.541 3.427 1.00 0.00 H new ATOM 0 HA ALA A 40 107.154 -7.553 0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.604 -7.193 0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 40 109.089 -6.829 2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 40 109.921 -8.361 1.959 1.00 0.00 H new ATOM 626 N ALA A 41 108.675 -10.471 0.615 1.00 0.00 N ATOM 627 CA ALA A 41 108.904 -11.561 -0.380 1.00 0.00 C ATOM 628 C ALA A 41 107.648 -11.771 -1.228 1.00 0.00 C ATOM 629 O ALA A 41 107.673 -11.631 -2.435 1.00 0.00 O ATOM 630 CB ALA A 41 109.248 -12.857 0.354 1.00 0.00 C ATOM 0 H ALA A 41 109.030 -10.656 1.553 1.00 0.00 H new ATOM 0 HA ALA A 41 109.730 -11.280 -1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.415 -13.653 -0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.151 -12.711 0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.423 -13.133 1.011 1.00 0.00 H new ATOM 636 N LEU A 42 106.555 -12.116 -0.611 1.00 0.00 N ATOM 637 CA LEU A 42 105.302 -12.346 -1.387 1.00 0.00 C ATOM 638 C LEU A 42 104.831 -11.029 -2.018 1.00 0.00 C ATOM 639 O LEU A 42 104.182 -11.021 -3.045 1.00 0.00 O ATOM 640 CB LEU A 42 104.221 -12.909 -0.454 1.00 0.00 C ATOM 641 CG LEU A 42 103.536 -11.776 0.309 1.00 0.00 C ATOM 642 CD1 LEU A 42 102.281 -11.346 -0.450 1.00 0.00 C ATOM 643 CD2 LEU A 42 103.146 -12.264 1.705 1.00 0.00 C ATOM 0 H LEU A 42 106.472 -12.249 0.397 1.00 0.00 H new ATOM 0 HA LEU A 42 105.492 -13.064 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 42 103.484 -13.464 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 42 104.668 -13.612 0.249 1.00 0.00 H new ATOM 0 HG LEU A 42 104.218 -10.930 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 42 101.788 -10.538 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 42 102.559 -11.001 -1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 42 101.600 -12.193 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 42 102.657 -11.456 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.462 -13.108 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 42 104.040 -12.576 2.244 1.00 0.00 H new ATOM 655 N LEU A 43 105.156 -9.917 -1.418 1.00 0.00 N ATOM 656 CA LEU A 43 104.728 -8.606 -1.988 1.00 0.00 C ATOM 657 C LEU A 43 105.509 -8.334 -3.274 1.00 0.00 C ATOM 658 O LEU A 43 105.166 -7.464 -4.050 1.00 0.00 O ATOM 659 CB LEU A 43 105.019 -7.489 -0.982 1.00 0.00 C ATOM 660 CG LEU A 43 103.785 -7.232 -0.117 1.00 0.00 C ATOM 661 CD1 LEU A 43 102.652 -6.689 -0.988 1.00 0.00 C ATOM 662 CD2 LEU A 43 103.342 -8.540 0.537 1.00 0.00 C ATOM 0 H LEU A 43 105.700 -9.858 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 43 103.660 -8.637 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.864 -7.767 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 43 105.300 -6.577 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 43 104.029 -6.502 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 43 101.773 -6.506 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 43 102.967 -5.756 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.407 -7.417 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 43 102.462 -8.358 1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 43 103.099 -9.269 -0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 43 104.149 -8.927 1.160 1.00 0.00 H new ATOM 674 N TYR A 44 106.562 -9.065 -3.499 1.00 0.00 N ATOM 675 CA TYR A 44 107.375 -8.847 -4.726 1.00 0.00 C ATOM 676 C TYR A 44 106.669 -9.461 -5.939 1.00 0.00 C ATOM 677 O TYR A 44 106.331 -8.775 -6.883 1.00 0.00 O ATOM 678 CB TYR A 44 108.745 -9.505 -4.547 1.00 0.00 C ATOM 679 CG TYR A 44 109.782 -8.731 -5.323 1.00 0.00 C ATOM 680 CD1 TYR A 44 109.971 -8.991 -6.686 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.556 -7.755 -4.683 1.00 0.00 C ATOM 682 CE1 TYR A 44 110.931 -8.277 -7.408 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.520 -7.041 -5.411 1.00 0.00 C ATOM 684 CZ TYR A 44 111.705 -7.304 -6.772 1.00 0.00 C ATOM 685 OH TYR A 44 112.655 -6.602 -7.487 1.00 0.00 O ATOM 0 H TYR A 44 106.896 -9.807 -2.884 1.00 0.00 H new ATOM 0 HA TYR A 44 107.498 -7.776 -4.890 1.00 0.00 H new ATOM 0 HB2 TYR A 44 109.012 -9.532 -3.490 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.712 -10.538 -4.894 1.00 0.00 H new ATOM 0 HD1 TYR A 44 109.374 -9.744 -7.180 1.00 0.00 H new ATOM 0 HD2 TYR A 44 110.411 -7.552 -3.632 1.00 0.00 H new ATOM 0 HE1 TYR A 44 111.075 -8.478 -8.459 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.119 -6.288 -4.920 1.00 0.00 H new ATOM 0 HH TYR A 44 112.796 -5.726 -7.072 1.00 0.00 H new ATOM 695 N LYS A 45 106.451 -10.747 -5.924 1.00 0.00 N ATOM 696 CA LYS A 45 105.776 -11.400 -7.082 1.00 0.00 C ATOM 697 C LYS A 45 104.299 -11.002 -7.123 1.00 0.00 C ATOM 698 O LYS A 45 103.623 -11.205 -8.112 1.00 0.00 O ATOM 699 CB LYS A 45 105.893 -12.919 -6.951 1.00 0.00 C ATOM 700 CG LYS A 45 106.964 -13.431 -7.916 1.00 0.00 C ATOM 701 CD LYS A 45 106.378 -14.544 -8.788 1.00 0.00 C ATOM 702 CE LYS A 45 107.446 -15.043 -9.764 1.00 0.00 C ATOM 703 NZ LYS A 45 107.072 -16.398 -10.259 1.00 0.00 N ATOM 0 H LYS A 45 106.710 -11.373 -5.162 1.00 0.00 H new ATOM 0 HA LYS A 45 106.257 -11.074 -8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.152 -13.188 -5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 45 104.935 -13.389 -7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 45 107.323 -12.615 -8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 45 107.822 -13.806 -7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 45 106.030 -15.366 -8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 45 105.513 -14.173 -9.337 1.00 0.00 H new ATOM 0 HE2 LYS A 45 107.540 -14.351 -10.601 1.00 0.00 H new ATOM 0 HE3 LYS A 45 108.417 -15.080 -9.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 107.797 -16.738 -10.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 107.003 -17.054 -9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 106.154 -16.349 -10.745 1.00 0.00 H new ATOM 717 N LYS A 46 103.786 -10.436 -6.064 1.00 0.00 N ATOM 718 CA LYS A 46 102.351 -10.033 -6.069 1.00 0.00 C ATOM 719 C LYS A 46 102.225 -8.598 -6.582 1.00 0.00 C ATOM 720 O LYS A 46 101.515 -8.328 -7.528 1.00 0.00 O ATOM 721 CB LYS A 46 101.787 -10.117 -4.649 1.00 0.00 C ATOM 722 CG LYS A 46 101.744 -11.578 -4.198 1.00 0.00 C ATOM 723 CD LYS A 46 100.289 -12.046 -4.124 1.00 0.00 C ATOM 724 CE LYS A 46 99.733 -11.769 -2.726 1.00 0.00 C ATOM 725 NZ LYS A 46 98.418 -12.452 -2.571 1.00 0.00 N ATOM 0 H LYS A 46 104.294 -10.237 -5.202 1.00 0.00 H new ATOM 0 HA LYS A 46 101.791 -10.704 -6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.405 -9.534 -3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 46 100.786 -9.687 -4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 46 102.303 -12.202 -4.896 1.00 0.00 H new ATOM 0 HG3 LYS A 46 102.221 -11.683 -3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 46 99.691 -11.528 -4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 46 100.227 -13.111 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 46 100.431 -12.124 -1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 46 99.618 -10.696 -2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 98.039 -12.264 -1.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 97.754 -12.092 -3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 98.542 -13.477 -2.698 1.00 0.00 H new ATOM 739 N ILE A 47 102.907 -7.676 -5.961 1.00 0.00 N ATOM 740 CA ILE A 47 102.829 -6.253 -6.402 1.00 0.00 C ATOM 741 C ILE A 47 103.315 -6.120 -7.850 1.00 0.00 C ATOM 742 O ILE A 47 102.956 -5.195 -8.550 1.00 0.00 O ATOM 743 CB ILE A 47 103.720 -5.400 -5.500 1.00 0.00 C ATOM 744 CG1 ILE A 47 103.110 -5.322 -4.089 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.866 -4.000 -6.105 1.00 0.00 C ATOM 746 CD1 ILE A 47 102.204 -4.091 -3.955 1.00 0.00 C ATOM 0 H ILE A 47 103.518 -7.847 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 47 101.794 -5.917 -6.338 1.00 0.00 H new ATOM 0 HB ILE A 47 104.708 -5.854 -5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.536 -6.226 -3.886 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.906 -5.276 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 47 104.501 -3.390 -5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.317 -4.076 -7.094 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.883 -3.536 -6.189 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.784 -4.056 -2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.788 -3.188 -4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.396 -4.153 -4.684 1.00 0.00 H new ATOM 758 N MET A 48 104.142 -7.025 -8.299 1.00 0.00 N ATOM 759 CA MET A 48 104.664 -6.934 -9.695 1.00 0.00 C ATOM 760 C MET A 48 103.511 -6.973 -10.706 1.00 0.00 C ATOM 761 O MET A 48 103.704 -6.726 -11.879 1.00 0.00 O ATOM 762 CB MET A 48 105.608 -8.108 -9.963 1.00 0.00 C ATOM 763 CG MET A 48 107.030 -7.584 -10.176 1.00 0.00 C ATOM 764 SD MET A 48 108.094 -8.936 -10.741 1.00 0.00 S ATOM 765 CE MET A 48 109.681 -8.146 -10.374 1.00 0.00 C ATOM 0 H MET A 48 104.479 -7.823 -7.761 1.00 0.00 H new ATOM 0 HA MET A 48 105.199 -5.991 -9.806 1.00 0.00 H new ATOM 0 HB2 MET A 48 105.588 -8.803 -9.124 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.277 -8.660 -10.843 1.00 0.00 H new ATOM 0 HG2 MET A 48 107.026 -6.779 -10.911 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.418 -7.166 -9.247 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.415 -8.908 -10.114 1.00 0.00 H new ATOM 0 HE2 MET A 48 110.024 -7.595 -11.250 1.00 0.00 H new ATOM 0 HE3 MET A 48 109.560 -7.458 -9.537 1.00 0.00 H new ATOM 775 N GLU A 49 102.321 -7.288 -10.274 1.00 0.00 N ATOM 776 CA GLU A 49 101.184 -7.347 -11.236 1.00 0.00 C ATOM 777 C GLU A 49 100.125 -6.298 -10.880 1.00 0.00 C ATOM 778 O GLU A 49 99.751 -5.482 -11.697 1.00 0.00 O ATOM 779 CB GLU A 49 100.551 -8.740 -11.190 1.00 0.00 C ATOM 780 CG GLU A 49 101.156 -9.613 -12.290 1.00 0.00 C ATOM 781 CD GLU A 49 100.463 -10.976 -12.301 1.00 0.00 C ATOM 782 OE1 GLU A 49 99.261 -11.006 -12.513 1.00 0.00 O ATOM 783 OE2 GLU A 49 101.144 -11.967 -12.096 1.00 0.00 O ATOM 0 H GLU A 49 102.087 -7.505 -9.305 1.00 0.00 H new ATOM 0 HA GLU A 49 101.561 -7.142 -12.238 1.00 0.00 H new ATOM 0 HB2 GLU A 49 100.721 -9.196 -10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 49 99.472 -8.665 -11.323 1.00 0.00 H new ATOM 0 HG2 GLU A 49 101.041 -9.127 -13.259 1.00 0.00 H new ATOM 0 HG3 GLU A 49 102.226 -9.739 -12.122 1.00 0.00 H new ATOM 790 N LYS A 50 99.624 -6.324 -9.675 1.00 0.00 N ATOM 791 CA LYS A 50 98.576 -5.342 -9.284 1.00 0.00 C ATOM 792 C LYS A 50 99.045 -3.911 -9.563 1.00 0.00 C ATOM 793 O LYS A 50 98.245 -3.004 -9.674 1.00 0.00 O ATOM 794 CB LYS A 50 98.262 -5.493 -7.794 1.00 0.00 C ATOM 795 CG LYS A 50 99.537 -5.846 -7.023 1.00 0.00 C ATOM 796 CD LYS A 50 99.417 -7.260 -6.448 1.00 0.00 C ATOM 797 CE LYS A 50 98.078 -7.414 -5.725 1.00 0.00 C ATOM 798 NZ LYS A 50 97.201 -8.334 -6.503 1.00 0.00 N ATOM 0 H LYS A 50 99.896 -6.983 -8.945 1.00 0.00 H new ATOM 0 HA LYS A 50 97.680 -5.538 -9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 50 97.838 -4.566 -7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 50 97.512 -6.271 -7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 50 100.402 -5.784 -7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 50 99.698 -5.128 -6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 50 99.495 -7.996 -7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 50 100.238 -7.452 -5.757 1.00 0.00 H new ATOM 0 HE2 LYS A 50 98.237 -7.807 -4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 50 97.597 -6.442 -5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 96.212 -8.022 -6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 97.487 -8.323 -7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 97.291 -9.300 -6.128 1.00 0.00 H new ATOM 812 N TYR A 51 100.326 -3.688 -9.673 1.00 0.00 N ATOM 813 CA TYR A 51 100.805 -2.298 -9.936 1.00 0.00 C ATOM 814 C TYR A 51 101.993 -2.305 -10.903 1.00 0.00 C ATOM 815 O TYR A 51 102.554 -1.269 -11.198 1.00 0.00 O ATOM 816 CB TYR A 51 101.240 -1.651 -8.620 1.00 0.00 C ATOM 817 CG TYR A 51 100.099 -1.686 -7.636 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.908 -2.811 -6.825 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.226 -0.595 -7.535 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.847 -2.844 -5.915 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.165 -0.629 -6.628 1.00 0.00 C ATOM 822 CZ TYR A 51 97.974 -1.755 -5.816 1.00 0.00 C ATOM 823 OH TYR A 51 96.924 -1.789 -4.920 1.00 0.00 O ATOM 0 H TYR A 51 101.055 -4.397 -9.594 1.00 0.00 H new ATOM 0 HA TYR A 51 99.988 -1.732 -10.384 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.102 -2.179 -8.211 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.551 -0.621 -8.795 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.580 -3.653 -6.902 1.00 0.00 H new ATOM 0 HD2 TYR A 51 99.374 0.274 -8.160 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.701 -3.711 -5.288 1.00 0.00 H new ATOM 0 HE2 TYR A 51 97.492 0.212 -6.552 1.00 0.00 H new ATOM 0 HH TYR A 51 96.417 -0.953 -4.979 1.00 0.00 H new ATOM 833 N SER A 52 102.386 -3.450 -11.397 1.00 0.00 N ATOM 834 CA SER A 52 103.546 -3.486 -12.335 1.00 0.00 C ATOM 835 C SER A 52 104.650 -2.580 -11.786 1.00 0.00 C ATOM 836 O SER A 52 105.143 -1.701 -12.464 1.00 0.00 O ATOM 837 CB SER A 52 103.108 -2.983 -13.711 1.00 0.00 C ATOM 838 OG SER A 52 104.260 -2.653 -14.476 1.00 0.00 O ATOM 0 H SER A 52 101.958 -4.354 -11.194 1.00 0.00 H new ATOM 0 HA SER A 52 103.916 -4.507 -12.430 1.00 0.00 H new ATOM 0 HB2 SER A 52 102.524 -3.748 -14.222 1.00 0.00 H new ATOM 0 HB3 SER A 52 102.465 -2.109 -13.604 1.00 0.00 H new ATOM 0 HG SER A 52 104.652 -1.822 -14.135 1.00 0.00 H new ATOM 844 N VAL A 53 105.020 -2.782 -10.551 1.00 0.00 N ATOM 845 CA VAL A 53 106.072 -1.938 -9.917 1.00 0.00 C ATOM 846 C VAL A 53 107.167 -1.581 -10.921 1.00 0.00 C ATOM 847 O VAL A 53 107.844 -2.438 -11.453 1.00 0.00 O ATOM 848 CB VAL A 53 106.692 -2.694 -8.746 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.859 -2.443 -7.491 1.00 0.00 C ATOM 850 CG2 VAL A 53 106.711 -4.194 -9.054 1.00 0.00 C ATOM 0 H VAL A 53 104.632 -3.506 -9.946 1.00 0.00 H new ATOM 0 HA VAL A 53 105.608 -1.016 -9.567 1.00 0.00 H new ATOM 0 HB VAL A 53 107.713 -2.347 -8.586 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.297 -2.981 -6.650 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.845 -1.375 -7.271 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.840 -2.793 -7.655 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.154 -4.732 -8.216 1.00 0.00 H new ATOM 0 HG22 VAL A 53 105.692 -4.546 -9.213 1.00 0.00 H new ATOM 0 HG23 VAL A 53 107.301 -4.373 -9.953 1.00 0.00 H new ATOM 860 N THR A 54 107.361 -0.313 -11.160 1.00 0.00 N ATOM 861 CA THR A 54 108.430 0.112 -12.103 1.00 0.00 C ATOM 862 C THR A 54 109.767 -0.344 -11.532 1.00 0.00 C ATOM 863 O THR A 54 110.737 -0.534 -12.241 1.00 0.00 O ATOM 864 CB THR A 54 108.422 1.637 -12.232 1.00 0.00 C ATOM 865 OG1 THR A 54 107.207 2.055 -12.830 1.00 0.00 O ATOM 866 CG2 THR A 54 109.599 2.085 -13.098 1.00 0.00 C ATOM 0 H THR A 54 106.824 0.447 -10.742 1.00 0.00 H new ATOM 0 HA THR A 54 108.266 -0.326 -13.088 1.00 0.00 H new ATOM 0 HB THR A 54 108.512 2.084 -11.242 1.00 0.00 H new ATOM 0 HG1 THR A 54 107.201 3.032 -12.911 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.591 3.171 -13.189 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.533 1.766 -12.636 1.00 0.00 H new ATOM 0 HG23 THR A 54 109.513 1.638 -14.088 1.00 0.00 H new ATOM 874 N PHE A 55 109.812 -0.525 -10.244 1.00 0.00 N ATOM 875 CA PHE A 55 111.064 -0.972 -9.584 1.00 0.00 C ATOM 876 C PHE A 55 110.730 -1.421 -8.163 1.00 0.00 C ATOM 877 O PHE A 55 109.957 -0.791 -7.470 1.00 0.00 O ATOM 878 CB PHE A 55 112.062 0.190 -9.538 1.00 0.00 C ATOM 879 CG PHE A 55 113.116 -0.084 -8.490 1.00 0.00 C ATOM 880 CD1 PHE A 55 114.183 -0.943 -8.777 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.021 0.515 -7.228 1.00 0.00 C ATOM 882 CE1 PHE A 55 115.154 -1.200 -7.806 1.00 0.00 C ATOM 883 CE2 PHE A 55 113.991 0.259 -6.256 1.00 0.00 C ATOM 884 CZ PHE A 55 115.060 -0.599 -6.546 1.00 0.00 C ATOM 0 H PHE A 55 109.023 -0.380 -9.614 1.00 0.00 H new ATOM 0 HA PHE A 55 111.507 -1.798 -10.140 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.531 0.318 -10.514 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.542 1.120 -9.310 1.00 0.00 H new ATOM 0 HD1 PHE A 55 114.256 -1.407 -9.749 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.196 1.176 -7.006 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.977 -1.863 -8.028 1.00 0.00 H new ATOM 0 HE2 PHE A 55 113.917 0.722 -5.283 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.812 -0.797 -5.796 1.00 0.00 H new ATOM 894 N ILE A 56 111.311 -2.494 -7.718 1.00 0.00 N ATOM 895 CA ILE A 56 111.025 -2.961 -6.336 1.00 0.00 C ATOM 896 C ILE A 56 112.265 -3.652 -5.770 1.00 0.00 C ATOM 897 O ILE A 56 112.808 -4.560 -6.366 1.00 0.00 O ATOM 898 CB ILE A 56 109.840 -3.931 -6.350 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.636 -4.510 -4.947 1.00 0.00 C ATOM 900 CG2 ILE A 56 110.111 -5.067 -7.335 1.00 0.00 C ATOM 901 CD1 ILE A 56 108.405 -5.418 -4.942 1.00 0.00 C ATOM 0 H ILE A 56 111.969 -3.067 -8.247 1.00 0.00 H new ATOM 0 HA ILE A 56 110.771 -2.108 -5.707 1.00 0.00 H new ATOM 0 HB ILE A 56 108.942 -3.395 -6.658 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.518 -5.074 -4.643 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.509 -3.704 -4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.264 -5.754 -7.340 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.251 -4.656 -8.335 1.00 0.00 H new ATOM 0 HG23 ILE A 56 111.011 -5.603 -7.034 1.00 0.00 H new ATOM 0 HD11 ILE A 56 108.261 -5.830 -3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.526 -4.840 -5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.550 -6.232 -5.652 1.00 0.00 H new ATOM 913 N SER A 57 112.732 -3.216 -4.632 1.00 0.00 N ATOM 914 CA SER A 57 113.951 -3.838 -4.047 1.00 0.00 C ATOM 915 C SER A 57 113.692 -4.269 -2.604 1.00 0.00 C ATOM 916 O SER A 57 113.178 -3.515 -1.802 1.00 0.00 O ATOM 917 CB SER A 57 115.086 -2.819 -4.055 1.00 0.00 C ATOM 918 OG SER A 57 116.308 -3.472 -3.737 1.00 0.00 O ATOM 0 H SER A 57 112.323 -2.459 -4.085 1.00 0.00 H new ATOM 0 HA SER A 57 114.217 -4.712 -4.641 1.00 0.00 H new ATOM 0 HB2 SER A 57 115.158 -2.346 -5.034 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.885 -2.028 -3.333 1.00 0.00 H new ATOM 0 HG SER A 57 116.739 -3.012 -2.987 1.00 0.00 H new ATOM 924 N ARG A 58 114.071 -5.468 -2.261 1.00 0.00 N ATOM 925 CA ARG A 58 113.878 -5.938 -0.863 1.00 0.00 C ATOM 926 C ARG A 58 115.172 -5.674 -0.088 1.00 0.00 C ATOM 927 O ARG A 58 116.184 -6.309 -0.323 1.00 0.00 O ATOM 928 CB ARG A 58 113.574 -7.440 -0.863 1.00 0.00 C ATOM 929 CG ARG A 58 112.157 -7.673 -1.391 1.00 0.00 C ATOM 930 CD ARG A 58 111.657 -9.041 -0.921 1.00 0.00 C ATOM 931 NE ARG A 58 112.665 -10.082 -1.263 1.00 0.00 N ATOM 932 CZ ARG A 58 112.697 -11.203 -0.597 1.00 0.00 C ATOM 933 NH1 ARG A 58 113.049 -11.206 0.658 1.00 0.00 N ATOM 934 NH2 ARG A 58 112.373 -12.320 -1.188 1.00 0.00 N ATOM 0 H ARG A 58 114.506 -6.143 -2.890 1.00 0.00 H new ATOM 0 HA ARG A 58 113.045 -5.411 -0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 58 114.297 -7.968 -1.485 1.00 0.00 H new ATOM 0 HB3 ARG A 58 113.668 -7.841 0.146 1.00 0.00 H new ATOM 0 HG2 ARG A 58 111.491 -6.888 -1.034 1.00 0.00 H new ATOM 0 HG3 ARG A 58 112.151 -7.626 -2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 58 111.484 -9.027 0.155 1.00 0.00 H new ATOM 0 HD3 ARG A 58 110.703 -9.274 -1.394 1.00 0.00 H new ATOM 0 HE ARG A 58 113.331 -9.918 -2.018 1.00 0.00 H new ATOM 0 HH11 ARG A 58 113.299 -10.332 1.120 1.00 0.00 H new ATOM 0 HH12 ARG A 58 113.074 -12.083 1.179 1.00 0.00 H new ATOM 0 HH21 ARG A 58 112.095 -12.316 -2.169 1.00 0.00 H new ATOM 0 HH22 ARG A 58 112.398 -13.198 -0.669 1.00 0.00 H new ATOM 948 N HIS A 59 115.161 -4.729 0.814 1.00 0.00 N ATOM 949 CA HIS A 59 116.405 -4.417 1.579 1.00 0.00 C ATOM 950 C HIS A 59 116.264 -4.871 3.035 1.00 0.00 C ATOM 951 O HIS A 59 115.237 -5.369 3.448 1.00 0.00 O ATOM 952 CB HIS A 59 116.652 -2.907 1.558 1.00 0.00 C ATOM 953 CG HIS A 59 116.835 -2.436 0.141 1.00 0.00 C ATOM 954 ND1 HIS A 59 118.066 -2.025 -0.346 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.953 -2.293 -0.900 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.891 -1.657 -1.628 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.623 -1.800 -2.016 1.00 0.00 N ATOM 0 H HIS A 59 114.348 -4.161 1.054 1.00 0.00 H new ATOM 0 HA HIS A 59 117.239 -4.943 1.115 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.812 -2.386 2.018 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.537 -2.667 2.147 1.00 0.00 H new ATOM 0 HD1 HIS A 59 118.944 -2.005 0.173 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.899 -2.527 -0.860 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.682 -1.290 -2.266 1.00 0.00 H new ATOM 965 N ASN A 60 117.298 -4.684 3.813 1.00 0.00 N ATOM 966 CA ASN A 60 117.247 -5.079 5.249 1.00 0.00 C ATOM 967 C ASN A 60 117.574 -3.854 6.105 1.00 0.00 C ATOM 968 O ASN A 60 118.267 -2.957 5.670 1.00 0.00 O ATOM 969 CB ASN A 60 118.279 -6.176 5.518 1.00 0.00 C ATOM 970 CG ASN A 60 117.694 -7.534 5.130 1.00 0.00 C ATOM 971 OD1 ASN A 60 116.577 -7.852 5.486 1.00 0.00 O ATOM 972 ND2 ASN A 60 118.406 -8.354 4.407 1.00 0.00 N ATOM 0 H ASN A 60 118.181 -4.272 3.512 1.00 0.00 H new ATOM 0 HA ASN A 60 116.254 -5.455 5.495 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.187 -5.983 4.947 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.559 -6.176 6.572 1.00 0.00 H new ATOM 0 HD21 ASN A 60 118.025 -9.262 4.141 1.00 0.00 H new ATOM 0 HD22 ASN A 60 119.344 -8.087 4.108 1.00 0.00 H new ATOM 979 N SER A 61 117.075 -3.798 7.311 1.00 0.00 N ATOM 980 CA SER A 61 117.356 -2.613 8.175 1.00 0.00 C ATOM 981 C SER A 61 117.716 -3.063 9.596 1.00 0.00 C ATOM 982 O SER A 61 118.874 -3.187 9.940 1.00 0.00 O ATOM 983 CB SER A 61 116.117 -1.718 8.200 1.00 0.00 C ATOM 984 OG SER A 61 115.915 -1.201 9.511 1.00 0.00 O ATOM 0 H SER A 61 116.488 -4.517 7.734 1.00 0.00 H new ATOM 0 HA SER A 61 118.202 -2.057 7.771 1.00 0.00 H new ATOM 0 HB2 SER A 61 116.236 -0.898 7.492 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.242 -2.286 7.886 1.00 0.00 H new ATOM 0 HG SER A 61 116.042 -0.229 9.503 1.00 0.00 H new ATOM 990 N TYR A 62 116.739 -3.295 10.429 1.00 0.00 N ATOM 991 CA TYR A 62 117.040 -3.719 11.826 1.00 0.00 C ATOM 992 C TYR A 62 116.810 -5.224 11.968 1.00 0.00 C ATOM 993 O TYR A 62 117.730 -5.982 12.202 1.00 0.00 O ATOM 994 CB TYR A 62 116.126 -2.957 12.791 1.00 0.00 C ATOM 995 CG TYR A 62 116.328 -1.467 12.610 1.00 0.00 C ATOM 996 CD1 TYR A 62 117.544 -0.978 12.114 1.00 0.00 C ATOM 997 CD2 TYR A 62 115.300 -0.572 12.939 1.00 0.00 C ATOM 998 CE1 TYR A 62 117.730 0.398 11.947 1.00 0.00 C ATOM 999 CE2 TYR A 62 115.487 0.802 12.771 1.00 0.00 C ATOM 1000 CZ TYR A 62 116.702 1.289 12.276 1.00 0.00 C ATOM 1001 OH TYR A 62 116.887 2.647 12.110 1.00 0.00 O ATOM 0 H TYR A 62 115.748 -3.210 10.204 1.00 0.00 H new ATOM 0 HA TYR A 62 118.081 -3.497 12.061 1.00 0.00 H new ATOM 0 HB2 TYR A 62 115.084 -3.219 12.605 1.00 0.00 H new ATOM 0 HB3 TYR A 62 116.347 -3.242 13.820 1.00 0.00 H new ATOM 0 HD1 TYR A 62 118.338 -1.664 11.860 1.00 0.00 H new ATOM 0 HD2 TYR A 62 114.362 -0.946 13.323 1.00 0.00 H new ATOM 0 HE1 TYR A 62 118.667 0.773 11.564 1.00 0.00 H new ATOM 0 HE2 TYR A 62 114.693 1.489 13.023 1.00 0.00 H new ATOM 0 HH TYR A 62 117.508 2.804 11.368 1.00 0.00 H new ATOM 1011 N ASN A 63 115.593 -5.664 11.826 1.00 0.00 N ATOM 1012 CA ASN A 63 115.310 -7.122 11.948 1.00 0.00 C ATOM 1013 C ASN A 63 114.255 -7.512 10.918 1.00 0.00 C ATOM 1014 O ASN A 63 113.525 -8.465 11.096 1.00 0.00 O ATOM 1015 CB ASN A 63 114.781 -7.429 13.348 1.00 0.00 C ATOM 1016 CG ASN A 63 115.809 -6.984 14.392 1.00 0.00 C ATOM 1017 OD1 ASN A 63 116.432 -7.806 15.033 1.00 0.00 O ATOM 1018 ND2 ASN A 63 116.014 -5.711 14.588 1.00 0.00 N ATOM 0 H ASN A 63 114.781 -5.078 11.631 1.00 0.00 H new ATOM 0 HA ASN A 63 116.227 -7.686 11.776 1.00 0.00 H new ATOM 0 HB2 ASN A 63 113.835 -6.914 13.512 1.00 0.00 H new ATOM 0 HB3 ASN A 63 114.584 -8.496 13.448 1.00 0.00 H new ATOM 0 HD21 ASN A 63 116.698 -5.405 15.280 1.00 0.00 H new ATOM 0 HD22 ASN A 63 115.490 -5.021 14.049 1.00 0.00 H new ATOM 1025 N HIS A 64 114.160 -6.776 9.848 1.00 0.00 N ATOM 1026 CA HIS A 64 113.139 -7.099 8.819 1.00 0.00 C ATOM 1027 C HIS A 64 113.599 -6.585 7.455 1.00 0.00 C ATOM 1028 O HIS A 64 114.775 -6.369 7.233 1.00 0.00 O ATOM 1029 CB HIS A 64 111.821 -6.449 9.227 1.00 0.00 C ATOM 1030 CG HIS A 64 111.334 -7.114 10.482 1.00 0.00 C ATOM 1031 ND1 HIS A 64 111.178 -6.426 11.674 1.00 0.00 N ATOM 1032 CD2 HIS A 64 110.991 -8.415 10.753 1.00 0.00 C ATOM 1033 CE1 HIS A 64 110.757 -7.309 12.596 1.00 0.00 C ATOM 1034 NE2 HIS A 64 110.627 -8.536 12.088 1.00 0.00 N ATOM 0 H HIS A 64 114.745 -5.966 9.643 1.00 0.00 H new ATOM 0 HA HIS A 64 113.002 -8.178 8.744 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.960 -5.381 9.393 1.00 0.00 H new ATOM 0 HB3 HIS A 64 111.084 -6.554 8.431 1.00 0.00 H new ATOM 0 HD2 HIS A 64 111.002 -9.223 10.036 1.00 0.00 H new ATOM 0 HE1 HIS A 64 110.549 -7.056 13.625 1.00 0.00 H new ATOM 0 HE2 HIS A 64 110.326 -9.380 12.575 1.00 0.00 H new ATOM 1042 N ASN A 65 112.698 -6.407 6.528 1.00 0.00 N ATOM 1043 CA ASN A 65 113.120 -5.931 5.182 1.00 0.00 C ATOM 1044 C ASN A 65 112.231 -4.777 4.708 1.00 0.00 C ATOM 1045 O ASN A 65 111.039 -4.744 4.957 1.00 0.00 O ATOM 1046 CB ASN A 65 113.018 -7.088 4.186 1.00 0.00 C ATOM 1047 CG ASN A 65 113.467 -8.384 4.861 1.00 0.00 C ATOM 1048 OD1 ASN A 65 112.972 -8.738 5.913 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.390 -9.114 4.297 1.00 0.00 N ATOM 0 H ASN A 65 111.698 -6.569 6.643 1.00 0.00 H new ATOM 0 HA ASN A 65 114.148 -5.575 5.244 1.00 0.00 H new ATOM 0 HB2 ASN A 65 111.992 -7.187 3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.639 -6.886 3.313 1.00 0.00 H new ATOM 0 HD21 ASN A 65 114.695 -9.981 4.739 1.00 0.00 H new ATOM 0 HD22 ASN A 65 114.806 -8.818 3.414 1.00 0.00 H new ATOM 1056 N ILE A 66 112.810 -3.839 4.006 1.00 0.00 N ATOM 1057 CA ILE A 66 112.024 -2.686 3.482 1.00 0.00 C ATOM 1058 C ILE A 66 111.677 -2.959 2.017 1.00 0.00 C ATOM 1059 O ILE A 66 112.508 -2.821 1.142 1.00 0.00 O ATOM 1060 CB ILE A 66 112.867 -1.409 3.561 1.00 0.00 C ATOM 1061 CG1 ILE A 66 113.489 -1.294 4.967 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.992 -0.186 3.245 1.00 0.00 C ATOM 1063 CD1 ILE A 66 112.587 -0.477 5.898 1.00 0.00 C ATOM 0 H ILE A 66 113.803 -3.823 3.772 1.00 0.00 H new ATOM 0 HA ILE A 66 111.117 -2.560 4.073 1.00 0.00 H new ATOM 0 HB ILE A 66 113.671 -1.451 2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 66 113.642 -2.289 5.384 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.469 -0.823 4.898 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.597 0.719 3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.580 -0.283 2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 66 111.178 -0.125 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.047 -0.410 6.884 1.00 0.00 H new ATOM 0 HD12 ILE A 66 112.456 0.525 5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 66 111.616 -0.964 5.983 1.00 0.00 H new ATOM 1075 N LEU A 67 110.467 -3.353 1.739 1.00 0.00 N ATOM 1076 CA LEU A 67 110.099 -3.635 0.324 1.00 0.00 C ATOM 1077 C LEU A 67 109.826 -2.325 -0.405 1.00 0.00 C ATOM 1078 O LEU A 67 108.727 -1.806 -0.393 1.00 0.00 O ATOM 1079 CB LEU A 67 108.848 -4.511 0.273 1.00 0.00 C ATOM 1080 CG LEU A 67 108.461 -4.749 -1.188 1.00 0.00 C ATOM 1081 CD1 LEU A 67 109.170 -5.998 -1.711 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.950 -4.945 -1.291 1.00 0.00 C ATOM 0 H LEU A 67 109.723 -3.491 2.423 1.00 0.00 H new ATOM 0 HA LEU A 67 110.925 -4.158 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 67 109.035 -5.462 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 67 108.029 -4.027 0.805 1.00 0.00 H new ATOM 0 HG LEU A 67 108.759 -3.886 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.892 -6.165 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 67 110.249 -5.860 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 67 108.875 -6.861 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.675 -5.114 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.653 -5.806 -0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.442 -4.054 -0.922 1.00 0.00 H new ATOM 1094 N PHE A 68 110.820 -1.799 -1.055 1.00 0.00 N ATOM 1095 CA PHE A 68 110.643 -0.533 -1.811 1.00 0.00 C ATOM 1096 C PHE A 68 109.955 -0.867 -3.133 1.00 0.00 C ATOM 1097 O PHE A 68 110.300 -1.834 -3.773 1.00 0.00 O ATOM 1098 CB PHE A 68 112.024 0.059 -2.095 1.00 0.00 C ATOM 1099 CG PHE A 68 111.965 1.561 -2.029 1.00 0.00 C ATOM 1100 CD1 PHE A 68 111.553 2.194 -0.854 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.332 2.320 -3.145 1.00 0.00 C ATOM 1102 CE1 PHE A 68 111.504 3.588 -0.794 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.284 3.712 -3.088 1.00 0.00 C ATOM 1104 CZ PHE A 68 111.869 4.350 -1.913 1.00 0.00 C ATOM 0 H PHE A 68 111.759 -2.196 -1.096 1.00 0.00 H new ATOM 0 HA PHE A 68 110.046 0.181 -1.245 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.746 -0.317 -1.370 1.00 0.00 H new ATOM 0 HB3 PHE A 68 112.368 -0.256 -3.080 1.00 0.00 H new ATOM 0 HD1 PHE A 68 111.273 1.606 0.007 1.00 0.00 H new ATOM 0 HD2 PHE A 68 112.653 1.828 -4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.185 4.079 0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 68 112.567 4.298 -3.950 1.00 0.00 H new ATOM 0 HZ PHE A 68 111.830 5.428 -1.868 1.00 0.00 H new ATOM 1114 N PHE A 69 108.981 -0.103 -3.552 1.00 0.00 N ATOM 1115 CA PHE A 69 108.311 -0.446 -4.838 1.00 0.00 C ATOM 1116 C PHE A 69 107.551 0.761 -5.395 1.00 0.00 C ATOM 1117 O PHE A 69 106.837 1.445 -4.689 1.00 0.00 O ATOM 1118 CB PHE A 69 107.345 -1.613 -4.611 1.00 0.00 C ATOM 1119 CG PHE A 69 106.086 -1.128 -3.928 1.00 0.00 C ATOM 1120 CD1 PHE A 69 106.149 -0.601 -2.634 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.853 -1.215 -4.589 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.981 -0.159 -2.002 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.687 -0.776 -3.957 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.748 -0.248 -2.664 1.00 0.00 C ATOM 0 H PHE A 69 108.627 0.725 -3.072 1.00 0.00 H new ATOM 0 HA PHE A 69 109.071 -0.734 -5.564 1.00 0.00 H new ATOM 0 HB2 PHE A 69 107.094 -2.077 -5.565 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.826 -2.378 -4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 69 107.098 -0.535 -2.123 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.804 -1.622 -5.588 1.00 0.00 H new ATOM 0 HE1 PHE A 69 105.029 0.251 -1.004 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.738 -0.845 -4.468 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.846 0.091 -2.175 1.00 0.00 H new ATOM 1134 N LEU A 70 107.699 1.014 -6.669 1.00 0.00 N ATOM 1135 CA LEU A 70 106.990 2.162 -7.297 1.00 0.00 C ATOM 1136 C LEU A 70 105.703 1.657 -7.951 1.00 0.00 C ATOM 1137 O LEU A 70 105.414 0.477 -7.943 1.00 0.00 O ATOM 1138 CB LEU A 70 107.881 2.793 -8.372 1.00 0.00 C ATOM 1139 CG LEU A 70 109.254 3.115 -7.784 1.00 0.00 C ATOM 1140 CD1 LEU A 70 110.271 3.276 -8.917 1.00 0.00 C ATOM 1141 CD2 LEU A 70 109.169 4.418 -6.989 1.00 0.00 C ATOM 0 H LEU A 70 108.284 0.470 -7.303 1.00 0.00 H new ATOM 0 HA LEU A 70 106.757 2.905 -6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 70 107.988 2.111 -9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.417 3.702 -8.754 1.00 0.00 H new ATOM 0 HG LEU A 70 109.569 2.304 -7.127 1.00 0.00 H new ATOM 0 HD11 LEU A 70 111.250 3.506 -8.497 1.00 0.00 H new ATOM 0 HD12 LEU A 70 110.329 2.349 -9.488 1.00 0.00 H new ATOM 0 HD13 LEU A 70 109.958 4.088 -9.574 1.00 0.00 H new ATOM 0 HD21 LEU A 70 110.147 4.652 -6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 70 108.856 5.227 -7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 70 108.444 4.306 -6.183 1.00 0.00 H new ATOM 1153 N THR A 71 104.930 2.539 -8.519 1.00 0.00 N ATOM 1154 CA THR A 71 103.664 2.106 -9.178 1.00 0.00 C ATOM 1155 C THR A 71 103.211 3.199 -10.159 1.00 0.00 C ATOM 1156 O THR A 71 102.669 4.207 -9.751 1.00 0.00 O ATOM 1157 CB THR A 71 102.595 1.885 -8.103 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.617 2.970 -7.186 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.886 0.586 -7.352 1.00 0.00 C ATOM 0 H THR A 71 105.119 3.541 -8.556 1.00 0.00 H new ATOM 0 HA THR A 71 103.820 1.177 -9.726 1.00 0.00 H new ATOM 0 HB THR A 71 101.615 1.822 -8.575 1.00 0.00 H new ATOM 0 HG1 THR A 71 103.187 3.685 -7.539 1.00 0.00 H new ATOM 0 HG21 THR A 71 102.125 0.429 -6.587 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.874 -0.249 -8.052 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.867 0.650 -6.880 1.00 0.00 H new ATOM 1167 N PRO A 72 103.474 2.978 -11.428 1.00 0.00 N ATOM 1168 CA PRO A 72 103.134 3.942 -12.495 1.00 0.00 C ATOM 1169 C PRO A 72 101.650 3.877 -12.883 1.00 0.00 C ATOM 1170 O PRO A 72 101.278 3.198 -13.819 1.00 0.00 O ATOM 1171 CB PRO A 72 104.000 3.488 -13.673 1.00 0.00 C ATOM 1172 CG PRO A 72 104.325 1.997 -13.425 1.00 0.00 C ATOM 1173 CD PRO A 72 104.138 1.751 -11.916 1.00 0.00 C ATOM 0 HA PRO A 72 103.311 4.971 -12.183 1.00 0.00 H new ATOM 0 HB2 PRO A 72 103.471 3.619 -14.617 1.00 0.00 H new ATOM 0 HB3 PRO A 72 104.913 4.080 -13.735 1.00 0.00 H new ATOM 0 HG2 PRO A 72 103.664 1.354 -14.007 1.00 0.00 H new ATOM 0 HG3 PRO A 72 105.345 1.767 -13.732 1.00 0.00 H new ATOM 0 HD2 PRO A 72 103.528 0.867 -11.729 1.00 0.00 H new ATOM 0 HD3 PRO A 72 105.094 1.590 -11.417 1.00 0.00 H new ATOM 1181 N HIS A 73 100.805 4.601 -12.200 1.00 0.00 N ATOM 1182 CA HIS A 73 99.356 4.591 -12.574 1.00 0.00 C ATOM 1183 C HIS A 73 98.518 5.460 -11.609 1.00 0.00 C ATOM 1184 O HIS A 73 97.307 5.459 -11.666 1.00 0.00 O ATOM 1185 CB HIS A 73 98.861 3.125 -12.641 1.00 0.00 C ATOM 1186 CG HIS A 73 97.941 2.757 -11.501 1.00 0.00 C ATOM 1187 ND1 HIS A 73 98.332 1.885 -10.495 1.00 0.00 N ATOM 1188 CD2 HIS A 73 96.631 3.073 -11.230 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.277 1.705 -9.679 1.00 0.00 C ATOM 1190 NE2 HIS A 73 96.214 2.407 -10.081 1.00 0.00 N ATOM 0 H HIS A 73 101.049 5.194 -11.407 1.00 0.00 H new ATOM 0 HA HIS A 73 99.230 5.039 -13.560 1.00 0.00 H new ATOM 0 HB2 HIS A 73 98.341 2.966 -13.586 1.00 0.00 H new ATOM 0 HB3 HIS A 73 99.722 2.457 -12.635 1.00 0.00 H new ATOM 0 HD2 HIS A 73 96.018 3.738 -11.820 1.00 0.00 H new ATOM 0 HE1 HIS A 73 97.288 1.070 -8.805 1.00 0.00 H new ATOM 0 HE2 HIS A 73 95.295 2.447 -9.641 1.00 0.00 H new ATOM 1198 N ARG A 74 99.151 6.235 -10.754 1.00 0.00 N ATOM 1199 CA ARG A 74 98.392 7.123 -9.818 1.00 0.00 C ATOM 1200 C ARG A 74 97.389 6.301 -9.011 1.00 0.00 C ATOM 1201 O ARG A 74 96.484 5.694 -9.548 1.00 0.00 O ATOM 1202 CB ARG A 74 97.652 8.200 -10.615 1.00 0.00 C ATOM 1203 CG ARG A 74 98.664 9.053 -11.383 1.00 0.00 C ATOM 1204 CD ARG A 74 98.784 10.425 -10.718 1.00 0.00 C ATOM 1205 NE ARG A 74 100.221 10.804 -10.617 1.00 0.00 N ATOM 1206 CZ ARG A 74 100.615 11.635 -9.690 1.00 0.00 C ATOM 1207 NH1 ARG A 74 100.300 12.899 -9.771 1.00 0.00 N ATOM 1208 NH2 ARG A 74 101.321 11.202 -8.682 1.00 0.00 N ATOM 0 H ARG A 74 100.166 6.288 -10.667 1.00 0.00 H new ATOM 0 HA ARG A 74 99.094 7.598 -9.133 1.00 0.00 H new ATOM 0 HB2 ARG A 74 96.951 7.736 -11.309 1.00 0.00 H new ATOM 0 HB3 ARG A 74 97.067 8.828 -9.942 1.00 0.00 H new ATOM 0 HG2 ARG A 74 99.635 8.558 -11.398 1.00 0.00 H new ATOM 0 HG3 ARG A 74 98.348 9.166 -12.420 1.00 0.00 H new ATOM 0 HD2 ARG A 74 98.240 11.171 -11.298 1.00 0.00 H new ATOM 0 HD3 ARG A 74 98.333 10.401 -9.726 1.00 0.00 H new ATOM 0 HE ARG A 74 100.898 10.414 -11.273 1.00 0.00 H new ATOM 0 HH11 ARG A 74 99.746 13.237 -10.558 1.00 0.00 H new ATOM 0 HH12 ARG A 74 100.607 13.549 -9.047 1.00 0.00 H new ATOM 0 HH21 ARG A 74 101.566 10.214 -8.618 1.00 0.00 H new ATOM 0 HH22 ARG A 74 101.628 11.852 -7.958 1.00 0.00 H new ATOM 1222 N HIS A 75 97.553 6.261 -7.720 1.00 0.00 N ATOM 1223 CA HIS A 75 96.624 5.453 -6.881 1.00 0.00 C ATOM 1224 C HIS A 75 96.305 6.205 -5.588 1.00 0.00 C ATOM 1225 O HIS A 75 95.258 6.807 -5.467 1.00 0.00 O ATOM 1226 CB HIS A 75 97.281 4.101 -6.550 1.00 0.00 C ATOM 1227 CG HIS A 75 98.512 3.916 -7.401 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.458 3.900 -8.784 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.836 3.789 -7.079 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.716 3.770 -9.239 1.00 0.00 C ATOM 1231 NE2 HIS A 75 100.595 3.700 -8.241 1.00 0.00 N ATOM 0 H HIS A 75 98.288 6.751 -7.209 1.00 0.00 H new ATOM 0 HA HIS A 75 95.697 5.282 -7.429 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.548 4.064 -5.494 1.00 0.00 H new ATOM 0 HB3 HIS A 75 96.577 3.289 -6.730 1.00 0.00 H new ATOM 0 HD2 HIS A 75 100.232 3.762 -6.074 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.981 3.728 -10.285 1.00 0.00 H new ATOM 0 HE2 HIS A 75 101.608 3.602 -8.313 1.00 0.00 H new ATOM 1239 N ARG A 76 97.211 6.163 -4.635 1.00 0.00 N ATOM 1240 CA ARG A 76 97.023 6.852 -3.313 1.00 0.00 C ATOM 1241 C ARG A 76 97.419 5.877 -2.204 1.00 0.00 C ATOM 1242 O ARG A 76 97.056 4.718 -2.229 1.00 0.00 O ATOM 1243 CB ARG A 76 95.565 7.275 -3.102 1.00 0.00 C ATOM 1244 CG ARG A 76 95.383 7.793 -1.675 1.00 0.00 C ATOM 1245 CD ARG A 76 94.677 9.148 -1.709 1.00 0.00 C ATOM 1246 NE ARG A 76 93.203 8.941 -1.645 1.00 0.00 N ATOM 1247 CZ ARG A 76 92.406 9.963 -1.493 1.00 0.00 C ATOM 1248 NH1 ARG A 76 92.302 10.855 -2.440 1.00 0.00 N ATOM 1249 NH2 ARG A 76 91.715 10.095 -0.394 1.00 0.00 N ATOM 0 H ARG A 76 98.097 5.666 -4.722 1.00 0.00 H new ATOM 0 HA ARG A 76 97.643 7.748 -3.295 1.00 0.00 H new ATOM 0 HB2 ARG A 76 95.293 8.050 -3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.901 6.429 -3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 76 94.799 7.082 -1.091 1.00 0.00 H new ATOM 0 HG3 ARG A 76 96.352 7.888 -1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 76 95.006 9.763 -0.871 1.00 0.00 H new ATOM 0 HD3 ARG A 76 94.941 9.685 -2.620 1.00 0.00 H new ATOM 0 HE ARG A 76 92.817 8.000 -1.720 1.00 0.00 H new ATOM 0 HH11 ARG A 76 92.844 10.753 -3.298 1.00 0.00 H new ATOM 0 HH12 ARG A 76 91.679 11.654 -2.322 1.00 0.00 H new ATOM 0 HH21 ARG A 76 91.798 9.399 0.347 1.00 0.00 H new ATOM 0 HH22 ARG A 76 91.092 10.894 -0.276 1.00 0.00 H new ATOM 1263 N VAL A 77 98.162 6.328 -1.231 1.00 0.00 N ATOM 1264 CA VAL A 77 98.574 5.412 -0.130 1.00 0.00 C ATOM 1265 C VAL A 77 97.342 4.685 0.415 1.00 0.00 C ATOM 1266 O VAL A 77 97.445 3.635 1.016 1.00 0.00 O ATOM 1267 CB VAL A 77 99.235 6.221 0.988 1.00 0.00 C ATOM 1268 CG1 VAL A 77 99.346 5.362 2.250 1.00 0.00 C ATOM 1269 CG2 VAL A 77 100.635 6.645 0.539 1.00 0.00 C ATOM 0 H VAL A 77 98.500 7.287 -1.151 1.00 0.00 H new ATOM 0 HA VAL A 77 99.285 4.680 -0.511 1.00 0.00 H new ATOM 0 HB VAL A 77 98.632 7.103 1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.817 5.941 3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 77 98.350 5.053 2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.950 4.480 2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 77 101.112 7.222 1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 77 101.233 5.759 0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 77 100.559 7.257 -0.360 1.00 0.00 H new ATOM 1279 N SER A 78 96.177 5.234 0.206 1.00 0.00 N ATOM 1280 CA SER A 78 94.938 4.575 0.707 1.00 0.00 C ATOM 1281 C SER A 78 94.665 3.311 -0.112 1.00 0.00 C ATOM 1282 O SER A 78 94.439 2.247 0.429 1.00 0.00 O ATOM 1283 CB SER A 78 93.759 5.539 0.564 1.00 0.00 C ATOM 1284 OG SER A 78 92.799 5.259 1.575 1.00 0.00 O ATOM 0 H SER A 78 96.030 6.112 -0.291 1.00 0.00 H new ATOM 0 HA SER A 78 95.066 4.307 1.756 1.00 0.00 H new ATOM 0 HB2 SER A 78 94.104 6.569 0.649 1.00 0.00 H new ATOM 0 HB3 SER A 78 93.307 5.435 -0.422 1.00 0.00 H new ATOM 0 HG SER A 78 92.043 5.876 1.488 1.00 0.00 H new ATOM 1290 N ALA A 79 94.685 3.418 -1.414 1.00 0.00 N ATOM 1291 CA ALA A 79 94.426 2.220 -2.264 1.00 0.00 C ATOM 1292 C ALA A 79 95.503 1.166 -1.998 1.00 0.00 C ATOM 1293 O ALA A 79 95.209 0.008 -1.772 1.00 0.00 O ATOM 1294 CB ALA A 79 94.458 2.624 -3.739 1.00 0.00 C ATOM 0 H ALA A 79 94.869 4.282 -1.925 1.00 0.00 H new ATOM 0 HA ALA A 79 93.446 1.807 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 79 94.269 1.749 -4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.691 3.375 -3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 79 95.437 3.037 -3.982 1.00 0.00 H new ATOM 1300 N ILE A 80 96.747 1.558 -2.016 1.00 0.00 N ATOM 1301 CA ILE A 80 97.840 0.580 -1.757 1.00 0.00 C ATOM 1302 C ILE A 80 97.698 0.053 -0.330 1.00 0.00 C ATOM 1303 O ILE A 80 98.051 -1.071 -0.031 1.00 0.00 O ATOM 1304 CB ILE A 80 99.199 1.268 -1.911 1.00 0.00 C ATOM 1305 CG1 ILE A 80 99.265 1.986 -3.265 1.00 0.00 C ATOM 1306 CG2 ILE A 80 100.312 0.221 -1.835 1.00 0.00 C ATOM 1307 CD1 ILE A 80 99.424 0.958 -4.386 1.00 0.00 C ATOM 0 H ILE A 80 97.054 2.513 -2.199 1.00 0.00 H new ATOM 0 HA ILE A 80 97.774 -0.242 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 80 99.327 1.996 -1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 80 98.359 2.572 -3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 80 100.102 2.684 -3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 80 101.280 0.710 -1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 80 100.269 -0.286 -0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 80 100.181 -0.508 -2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 80 99.471 1.471 -5.346 1.00 0.00 H new ATOM 0 HD12 ILE A 80 100.342 0.391 -4.232 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.572 0.278 -4.379 1.00 0.00 H new ATOM 1319 N ASN A 81 97.172 0.858 0.553 1.00 0.00 N ATOM 1320 CA ASN A 81 96.992 0.410 1.959 1.00 0.00 C ATOM 1321 C ASN A 81 95.968 -0.724 1.989 1.00 0.00 C ATOM 1322 O ASN A 81 96.130 -1.702 2.687 1.00 0.00 O ATOM 1323 CB ASN A 81 96.488 1.585 2.807 1.00 0.00 C ATOM 1324 CG ASN A 81 95.930 1.067 4.134 1.00 0.00 C ATOM 1325 OD1 ASN A 81 95.060 1.679 4.720 1.00 0.00 O ATOM 1326 ND2 ASN A 81 96.394 -0.045 4.634 1.00 0.00 N ATOM 0 H ASN A 81 96.859 1.809 0.358 1.00 0.00 H new ATOM 0 HA ASN A 81 97.941 0.058 2.363 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.302 2.286 2.993 1.00 0.00 H new ATOM 0 HB3 ASN A 81 95.715 2.131 2.266 1.00 0.00 H new ATOM 0 HD21 ASN A 81 96.026 -0.400 5.517 1.00 0.00 H new ATOM 0 HD22 ASN A 81 97.125 -0.559 4.142 1.00 0.00 H new ATOM 1333 N ASN A 82 94.915 -0.602 1.231 1.00 0.00 N ATOM 1334 CA ASN A 82 93.885 -1.676 1.213 1.00 0.00 C ATOM 1335 C ASN A 82 94.536 -2.996 0.797 1.00 0.00 C ATOM 1336 O ASN A 82 94.066 -4.063 1.138 1.00 0.00 O ATOM 1337 CB ASN A 82 92.787 -1.313 0.212 1.00 0.00 C ATOM 1338 CG ASN A 82 91.445 -1.856 0.707 1.00 0.00 C ATOM 1339 OD1 ASN A 82 91.349 -3.001 1.102 1.00 0.00 O ATOM 1340 ND2 ASN A 82 90.397 -1.077 0.703 1.00 0.00 N ATOM 0 H ASN A 82 94.723 0.195 0.624 1.00 0.00 H new ATOM 0 HA ASN A 82 93.450 -1.780 2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 82 92.732 -0.231 0.093 1.00 0.00 H new ATOM 0 HB3 ASN A 82 93.021 -1.730 -0.768 1.00 0.00 H new ATOM 0 HD21 ASN A 82 89.498 -1.430 1.031 1.00 0.00 H new ATOM 0 HD22 ASN A 82 90.477 -0.116 0.371 1.00 0.00 H new ATOM 1347 N TYR A 83 95.611 -2.936 0.058 1.00 0.00 N ATOM 1348 CA TYR A 83 96.281 -4.194 -0.378 1.00 0.00 C ATOM 1349 C TYR A 83 97.333 -4.612 0.653 1.00 0.00 C ATOM 1350 O TYR A 83 97.143 -5.551 1.401 1.00 0.00 O ATOM 1351 CB TYR A 83 96.957 -3.972 -1.735 1.00 0.00 C ATOM 1352 CG TYR A 83 97.808 -5.173 -2.088 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.567 -6.413 -1.481 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.841 -5.046 -3.026 1.00 0.00 C ATOM 1355 CE1 TYR A 83 98.355 -7.518 -1.809 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.628 -6.153 -3.355 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.387 -7.389 -2.746 1.00 0.00 C ATOM 1358 OH TYR A 83 100.164 -8.482 -3.070 1.00 0.00 O ATOM 0 H TYR A 83 96.052 -2.074 -0.261 1.00 0.00 H new ATOM 0 HA TYR A 83 95.534 -4.982 -0.466 1.00 0.00 H new ATOM 0 HB2 TYR A 83 96.203 -3.811 -2.505 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.575 -3.075 -1.701 1.00 0.00 H new ATOM 0 HD1 TYR A 83 96.771 -6.514 -0.759 1.00 0.00 H new ATOM 0 HD2 TYR A 83 99.029 -4.092 -3.495 1.00 0.00 H new ATOM 0 HE1 TYR A 83 98.168 -8.473 -1.340 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.423 -6.054 -4.080 1.00 0.00 H new ATOM 0 HH TYR A 83 100.736 -8.714 -2.309 1.00 0.00 H new ATOM 1368 N ALA A 84 98.444 -3.928 0.688 1.00 0.00 N ATOM 1369 CA ALA A 84 99.521 -4.285 1.658 1.00 0.00 C ATOM 1370 C ALA A 84 98.914 -4.644 3.016 1.00 0.00 C ATOM 1371 O ALA A 84 99.359 -5.556 3.683 1.00 0.00 O ATOM 1372 CB ALA A 84 100.466 -3.094 1.822 1.00 0.00 C ATOM 0 H ALA A 84 98.654 -3.133 0.084 1.00 0.00 H new ATOM 0 HA ALA A 84 100.071 -5.146 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.255 -3.350 2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 84 100.910 -2.846 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 84 99.908 -2.235 2.196 1.00 0.00 H new ATOM 1378 N GLN A 85 97.905 -3.935 3.433 1.00 0.00 N ATOM 1379 CA GLN A 85 97.277 -4.236 4.753 1.00 0.00 C ATOM 1380 C GLN A 85 96.662 -5.636 4.724 1.00 0.00 C ATOM 1381 O GLN A 85 96.856 -6.426 5.628 1.00 0.00 O ATOM 1382 CB GLN A 85 96.186 -3.203 5.050 1.00 0.00 C ATOM 1383 CG GLN A 85 95.965 -3.110 6.562 1.00 0.00 C ATOM 1384 CD GLN A 85 95.771 -4.512 7.140 1.00 0.00 C ATOM 1385 OE1 GLN A 85 94.745 -5.130 6.935 1.00 0.00 O ATOM 1386 NE2 GLN A 85 96.720 -5.043 7.862 1.00 0.00 N ATOM 0 H GLN A 85 97.486 -3.160 2.919 1.00 0.00 H new ATOM 0 HA GLN A 85 98.038 -4.193 5.532 1.00 0.00 H new ATOM 0 HB2 GLN A 85 96.475 -2.230 4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 85 95.258 -3.486 4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 85 96.819 -2.626 7.035 1.00 0.00 H new ATOM 0 HG3 GLN A 85 95.091 -2.494 6.775 1.00 0.00 H new ATOM 0 HE21 GLN A 85 97.581 -4.524 8.034 1.00 0.00 H new ATOM 0 HE22 GLN A 85 96.600 -5.977 8.254 1.00 0.00 H new ATOM 1395 N LYS A 86 95.923 -5.955 3.696 1.00 0.00 N ATOM 1396 CA LYS A 86 95.300 -7.306 3.619 1.00 0.00 C ATOM 1397 C LYS A 86 96.378 -8.375 3.816 1.00 0.00 C ATOM 1398 O LYS A 86 96.090 -9.507 4.150 1.00 0.00 O ATOM 1399 CB LYS A 86 94.643 -7.489 2.248 1.00 0.00 C ATOM 1400 CG LYS A 86 93.169 -7.086 2.330 1.00 0.00 C ATOM 1401 CD LYS A 86 92.522 -7.229 0.951 1.00 0.00 C ATOM 1402 CE LYS A 86 91.959 -8.642 0.793 1.00 0.00 C ATOM 1403 NZ LYS A 86 92.548 -9.279 -0.419 1.00 0.00 N ATOM 0 H LYS A 86 95.724 -5.339 2.908 1.00 0.00 H new ATOM 0 HA LYS A 86 94.544 -7.403 4.398 1.00 0.00 H new ATOM 0 HB2 LYS A 86 95.156 -6.881 1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 86 94.730 -8.527 1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 86 92.649 -7.714 3.054 1.00 0.00 H new ATOM 0 HG3 LYS A 86 93.081 -6.057 2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.726 -6.494 0.834 1.00 0.00 H new ATOM 0 HD3 LYS A 86 93.257 -7.030 0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 86 92.188 -9.237 1.677 1.00 0.00 H new ATOM 0 HE3 LYS A 86 90.873 -8.605 0.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 92.165 -10.240 -0.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 92.308 -8.715 -1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 93.582 -9.327 -0.318 1.00 0.00 H new ATOM 1417 N LEU A 87 97.619 -8.025 3.612 1.00 0.00 N ATOM 1418 CA LEU A 87 98.714 -9.019 3.787 1.00 0.00 C ATOM 1419 C LEU A 87 99.227 -8.971 5.229 1.00 0.00 C ATOM 1420 O LEU A 87 100.415 -9.017 5.475 1.00 0.00 O ATOM 1421 CB LEU A 87 99.859 -8.683 2.827 1.00 0.00 C ATOM 1422 CG LEU A 87 99.305 -8.505 1.413 1.00 0.00 C ATOM 1423 CD1 LEU A 87 100.161 -7.489 0.653 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.340 -9.847 0.680 1.00 0.00 C ATOM 0 H LEU A 87 97.921 -7.092 3.331 1.00 0.00 H new ATOM 0 HA LEU A 87 98.336 -10.019 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.362 -7.771 3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.603 -9.479 2.840 1.00 0.00 H new ATOM 0 HG LEU A 87 98.277 -8.146 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.766 -7.362 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 87 100.139 -6.532 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 87 101.189 -7.848 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 87 98.945 -9.721 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.368 -10.205 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 87 98.732 -10.573 1.220 1.00 0.00 H new ATOM 1436 N CYS A 88 98.341 -8.879 6.185 1.00 0.00 N ATOM 1437 CA CYS A 88 98.787 -8.828 7.608 1.00 0.00 C ATOM 1438 C CYS A 88 98.132 -9.966 8.396 1.00 0.00 C ATOM 1439 O CYS A 88 97.802 -9.819 9.556 1.00 0.00 O ATOM 1440 CB CYS A 88 98.383 -7.487 8.223 1.00 0.00 C ATOM 1441 SG CYS A 88 99.763 -6.825 9.188 1.00 0.00 S ATOM 0 H CYS A 88 97.332 -8.837 6.043 1.00 0.00 H new ATOM 0 HA CYS A 88 99.871 -8.937 7.649 1.00 0.00 H new ATOM 0 HB2 CYS A 88 98.104 -6.784 7.438 1.00 0.00 H new ATOM 0 HB3 CYS A 88 97.508 -7.616 8.861 1.00 0.00 H new ATOM 0 HG CYS A 88 100.465 -7.807 9.671 1.00 0.00 H new ATOM 1447 N THR A 89 97.943 -11.101 7.778 1.00 0.00 N ATOM 1448 CA THR A 89 97.314 -12.246 8.497 1.00 0.00 C ATOM 1449 C THR A 89 98.392 -13.271 8.846 1.00 0.00 C ATOM 1450 O THR A 89 98.106 -14.406 9.173 1.00 0.00 O ATOM 1451 CB THR A 89 96.259 -12.895 7.598 1.00 0.00 C ATOM 1452 OG1 THR A 89 96.865 -13.300 6.378 1.00 0.00 O ATOM 1453 CG2 THR A 89 95.145 -11.889 7.307 1.00 0.00 C ATOM 0 H THR A 89 98.197 -11.285 6.807 1.00 0.00 H new ATOM 0 HA THR A 89 96.838 -11.891 9.411 1.00 0.00 H new ATOM 0 HB THR A 89 95.837 -13.765 8.101 1.00 0.00 H new ATOM 0 HG1 THR A 89 97.798 -13.002 6.362 1.00 0.00 H new ATOM 0 HG21 THR A 89 94.394 -12.352 6.667 1.00 0.00 H new ATOM 0 HG22 THR A 89 94.681 -11.578 8.243 1.00 0.00 H new ATOM 0 HG23 THR A 89 95.564 -11.018 6.803 1.00 0.00 H new ATOM 1461 N PHE A 90 99.633 -12.878 8.773 1.00 0.00 N ATOM 1462 CA PHE A 90 100.744 -13.822 9.091 1.00 0.00 C ATOM 1463 C PHE A 90 101.742 -13.122 10.016 1.00 0.00 C ATOM 1464 O PHE A 90 102.165 -13.663 11.018 1.00 0.00 O ATOM 1465 CB PHE A 90 101.457 -14.252 7.799 1.00 0.00 C ATOM 1466 CG PHE A 90 101.057 -13.347 6.655 1.00 0.00 C ATOM 1467 CD1 PHE A 90 99.801 -13.495 6.055 1.00 0.00 C ATOM 1468 CD2 PHE A 90 101.937 -12.357 6.202 1.00 0.00 C ATOM 1469 CE1 PHE A 90 99.425 -12.655 5.000 1.00 0.00 C ATOM 1470 CE2 PHE A 90 101.560 -11.517 5.146 1.00 0.00 C ATOM 1471 CZ PHE A 90 100.305 -11.666 4.545 1.00 0.00 C ATOM 0 H PHE A 90 99.928 -11.939 8.506 1.00 0.00 H new ATOM 0 HA PHE A 90 100.338 -14.707 9.582 1.00 0.00 H new ATOM 0 HB2 PHE A 90 102.537 -14.214 7.941 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.203 -15.285 7.561 1.00 0.00 H new ATOM 0 HD1 PHE A 90 99.122 -14.258 6.406 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.905 -12.241 6.666 1.00 0.00 H new ATOM 0 HE1 PHE A 90 98.456 -12.770 4.537 1.00 0.00 H new ATOM 0 HE2 PHE A 90 102.239 -10.754 4.795 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.016 -11.018 3.731 1.00 0.00 H new ATOM 1481 N SER A 91 102.116 -11.916 9.686 1.00 0.00 N ATOM 1482 CA SER A 91 103.078 -11.167 10.540 1.00 0.00 C ATOM 1483 C SER A 91 102.655 -9.697 10.585 1.00 0.00 C ATOM 1484 O SER A 91 101.516 -9.366 10.322 1.00 0.00 O ATOM 1485 CB SER A 91 104.484 -11.283 9.948 1.00 0.00 C ATOM 1486 OG SER A 91 105.317 -11.991 10.857 1.00 0.00 O ATOM 0 H SER A 91 101.794 -11.416 8.857 1.00 0.00 H new ATOM 0 HA SER A 91 103.082 -11.580 11.549 1.00 0.00 H new ATOM 0 HB2 SER A 91 104.447 -11.802 8.990 1.00 0.00 H new ATOM 0 HB3 SER A 91 104.894 -10.291 9.757 1.00 0.00 H new ATOM 0 HG SER A 91 106.219 -12.069 10.481 1.00 0.00 H new ATOM 1492 N PHE A 92 103.553 -8.810 10.913 1.00 0.00 N ATOM 1493 CA PHE A 92 103.175 -7.370 10.965 1.00 0.00 C ATOM 1494 C PHE A 92 103.408 -6.727 9.599 1.00 0.00 C ATOM 1495 O PHE A 92 104.113 -7.257 8.764 1.00 0.00 O ATOM 1496 CB PHE A 92 104.008 -6.654 12.033 1.00 0.00 C ATOM 1497 CG PHE A 92 105.417 -6.401 11.536 1.00 0.00 C ATOM 1498 CD1 PHE A 92 105.660 -5.425 10.563 1.00 0.00 C ATOM 1499 CD2 PHE A 92 106.485 -7.128 12.069 1.00 0.00 C ATOM 1500 CE1 PHE A 92 106.967 -5.179 10.132 1.00 0.00 C ATOM 1501 CE2 PHE A 92 107.785 -6.880 11.635 1.00 0.00 C ATOM 1502 CZ PHE A 92 108.030 -5.904 10.669 1.00 0.00 C ATOM 0 H PHE A 92 104.524 -9.017 11.146 1.00 0.00 H new ATOM 0 HA PHE A 92 102.120 -7.283 11.223 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.535 -5.708 12.296 1.00 0.00 H new ATOM 0 HB3 PHE A 92 104.040 -7.257 12.940 1.00 0.00 H new ATOM 0 HD1 PHE A 92 104.838 -4.862 10.145 1.00 0.00 H new ATOM 0 HD2 PHE A 92 106.302 -7.883 12.819 1.00 0.00 H new ATOM 0 HE1 PHE A 92 107.154 -4.425 9.381 1.00 0.00 H new ATOM 0 HE2 PHE A 92 108.607 -7.446 12.048 1.00 0.00 H new ATOM 0 HZ PHE A 92 109.040 -5.711 10.338 1.00 0.00 H new ATOM 1512 N LEU A 93 102.821 -5.586 9.363 1.00 0.00 N ATOM 1513 CA LEU A 93 103.009 -4.908 8.050 1.00 0.00 C ATOM 1514 C LEU A 93 102.989 -3.391 8.249 1.00 0.00 C ATOM 1515 O LEU A 93 102.158 -2.859 8.957 1.00 0.00 O ATOM 1516 CB LEU A 93 101.879 -5.314 7.103 1.00 0.00 C ATOM 1517 CG LEU A 93 102.009 -4.534 5.795 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.824 -5.486 4.611 1.00 0.00 C ATOM 1519 CD2 LEU A 93 100.938 -3.443 5.744 1.00 0.00 C ATOM 0 H LEU A 93 102.219 -5.094 10.023 1.00 0.00 H new ATOM 0 HA LEU A 93 103.967 -5.203 7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.922 -6.385 6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.912 -5.113 7.565 1.00 0.00 H new ATOM 0 HG LEU A 93 102.997 -4.077 5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.917 -4.929 3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.587 -6.264 4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.836 -5.944 4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 93 101.030 -2.886 4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.950 -3.900 5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 93 101.070 -2.764 6.586 1.00 0.00 H new ATOM 1531 N ILE A 94 103.896 -2.690 7.625 1.00 0.00 N ATOM 1532 CA ILE A 94 103.929 -1.207 7.775 1.00 0.00 C ATOM 1533 C ILE A 94 104.118 -0.561 6.402 1.00 0.00 C ATOM 1534 O ILE A 94 105.189 -0.096 6.067 1.00 0.00 O ATOM 1535 CB ILE A 94 105.091 -0.812 8.687 1.00 0.00 C ATOM 1536 CG1 ILE A 94 104.841 -1.354 10.095 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.206 0.714 8.743 1.00 0.00 C ATOM 1538 CD1 ILE A 94 106.140 -1.928 10.659 1.00 0.00 C ATOM 0 H ILE A 94 104.616 -3.080 7.017 1.00 0.00 H new ATOM 0 HA ILE A 94 102.991 -0.865 8.213 1.00 0.00 H new ATOM 0 HB ILE A 94 106.017 -1.231 8.293 1.00 0.00 H new ATOM 0 HG12 ILE A 94 104.472 -0.558 10.742 1.00 0.00 H new ATOM 0 HG13 ILE A 94 104.072 -2.126 10.068 1.00 0.00 H new ATOM 0 HG21 ILE A 94 106.035 0.993 9.394 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.385 1.102 7.740 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.280 1.135 9.135 1.00 0.00 H new ATOM 0 HD11 ILE A 94 105.962 -2.314 11.663 1.00 0.00 H new ATOM 0 HD12 ILE A 94 106.490 -2.736 10.016 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.896 -1.144 10.701 1.00 0.00 H new ATOM 1550 N CYS A 95 103.088 -0.529 5.601 1.00 0.00 N ATOM 1551 CA CYS A 95 103.215 0.087 4.251 1.00 0.00 C ATOM 1552 C CYS A 95 103.041 1.603 4.366 1.00 0.00 C ATOM 1553 O CYS A 95 102.314 2.091 5.207 1.00 0.00 O ATOM 1554 CB CYS A 95 102.137 -0.483 3.327 1.00 0.00 C ATOM 1555 SG CYS A 95 102.354 0.186 1.660 1.00 0.00 S ATOM 0 H CYS A 95 102.165 -0.903 5.823 1.00 0.00 H new ATOM 0 HA CYS A 95 104.199 -0.136 3.840 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.201 -1.571 3.305 1.00 0.00 H new ATOM 0 HB3 CYS A 95 101.147 -0.229 3.706 1.00 0.00 H new ATOM 0 HG CYS A 95 101.582 -0.453 0.832 1.00 0.00 H new ATOM 1561 N LYS A 96 103.705 2.353 3.528 1.00 0.00 N ATOM 1562 CA LYS A 96 103.575 3.837 3.598 1.00 0.00 C ATOM 1563 C LYS A 96 103.874 4.443 2.224 1.00 0.00 C ATOM 1564 O LYS A 96 104.320 3.766 1.321 1.00 0.00 O ATOM 1565 CB LYS A 96 104.575 4.381 4.621 1.00 0.00 C ATOM 1566 CG LYS A 96 103.969 5.587 5.340 1.00 0.00 C ATOM 1567 CD LYS A 96 105.089 6.520 5.803 1.00 0.00 C ATOM 1568 CE LYS A 96 104.652 7.248 7.074 1.00 0.00 C ATOM 1569 NZ LYS A 96 105.768 7.231 8.063 1.00 0.00 N ATOM 0 H LYS A 96 104.329 2.004 2.801 1.00 0.00 H new ATOM 0 HA LYS A 96 102.561 4.101 3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 96 104.830 3.605 5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 96 105.500 4.669 4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 96 103.291 6.119 4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 96 103.380 5.256 6.195 1.00 0.00 H new ATOM 0 HD2 LYS A 96 105.998 5.949 5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 96 105.323 7.241 5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 96 104.374 8.276 6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 96 103.770 6.767 7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 105.432 6.822 8.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 106.552 6.657 7.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 106.099 8.203 8.229 1.00 0.00 H new ATOM 1583 N GLY A 97 103.635 5.717 2.061 1.00 0.00 N ATOM 1584 CA GLY A 97 103.913 6.369 0.748 1.00 0.00 C ATOM 1585 C GLY A 97 105.317 6.972 0.777 1.00 0.00 C ATOM 1586 O GLY A 97 105.954 7.026 1.811 1.00 0.00 O ATOM 0 H GLY A 97 103.259 6.335 2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.833 5.640 -0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 97 103.174 7.145 0.550 1.00 0.00 H new ATOM 1590 N VAL A 98 105.813 7.423 -0.344 1.00 0.00 N ATOM 1591 CA VAL A 98 107.182 8.012 -0.359 1.00 0.00 C ATOM 1592 C VAL A 98 107.206 9.270 -1.227 1.00 0.00 C ATOM 1593 O VAL A 98 106.910 9.229 -2.405 1.00 0.00 O ATOM 1594 CB VAL A 98 108.167 6.992 -0.930 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.600 7.426 -0.614 1.00 0.00 C ATOM 1596 CG2 VAL A 98 107.898 5.625 -0.303 1.00 0.00 C ATOM 0 H VAL A 98 105.333 7.409 -1.244 1.00 0.00 H new ATOM 0 HA VAL A 98 107.465 8.274 0.660 1.00 0.00 H new ATOM 0 HB VAL A 98 108.040 6.931 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.300 6.697 -1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.791 8.402 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.731 7.489 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.599 4.895 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.025 5.689 0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 98 106.878 5.314 -0.531 1.00 0.00 H new ATOM 1606 N ASN A 99 107.578 10.386 -0.660 1.00 0.00 N ATOM 1607 CA ASN A 99 107.645 11.639 -1.460 1.00 0.00 C ATOM 1608 C ASN A 99 108.946 11.627 -2.260 1.00 0.00 C ATOM 1609 O ASN A 99 108.962 11.866 -3.452 1.00 0.00 O ATOM 1610 CB ASN A 99 107.625 12.849 -0.523 1.00 0.00 C ATOM 1611 CG ASN A 99 106.475 13.780 -0.914 1.00 0.00 C ATOM 1612 OD1 ASN A 99 106.257 14.036 -2.081 1.00 0.00 O ATOM 1613 ND2 ASN A 99 105.727 14.298 0.020 1.00 0.00 N ATOM 0 H ASN A 99 107.838 10.482 0.322 1.00 0.00 H new ATOM 0 HA ASN A 99 106.791 11.703 -2.134 1.00 0.00 H new ATOM 0 HB2 ASN A 99 107.506 12.521 0.509 1.00 0.00 H new ATOM 0 HB3 ASN A 99 108.574 13.382 -0.580 1.00 0.00 H new ATOM 0 HD21 ASN A 99 104.957 14.919 -0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 99 105.912 14.082 1.000 1.00 0.00 H new ATOM 1620 N LYS A 100 110.038 11.324 -1.612 1.00 0.00 N ATOM 1621 CA LYS A 100 111.344 11.264 -2.324 1.00 0.00 C ATOM 1622 C LYS A 100 111.663 9.797 -2.617 1.00 0.00 C ATOM 1623 O LYS A 100 112.063 9.052 -1.744 1.00 0.00 O ATOM 1624 CB LYS A 100 112.438 11.868 -1.440 1.00 0.00 C ATOM 1625 CG LYS A 100 113.190 12.945 -2.225 1.00 0.00 C ATOM 1626 CD LYS A 100 112.842 14.325 -1.664 1.00 0.00 C ATOM 1627 CE LYS A 100 112.580 15.294 -2.818 1.00 0.00 C ATOM 1628 NZ LYS A 100 111.856 16.492 -2.306 1.00 0.00 N ATOM 0 H LYS A 100 110.080 11.115 -0.615 1.00 0.00 H new ATOM 0 HA LYS A 100 111.294 11.829 -3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.998 12.299 -0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 100 113.129 11.090 -1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 100 114.265 12.774 -2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 100 112.924 12.893 -3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 100 111.962 14.258 -1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 100 113.659 14.694 -1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 100 113.522 15.594 -3.276 1.00 0.00 H new ATOM 0 HE3 LYS A 100 111.991 14.803 -3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 111.678 17.151 -3.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 110.950 16.198 -1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 112.434 16.964 -1.582 1.00 0.00 H new ATOM 1642 N GLU A 101 111.460 9.369 -3.831 1.00 0.00 N ATOM 1643 CA GLU A 101 111.721 7.944 -4.174 1.00 0.00 C ATOM 1644 C GLU A 101 113.227 7.658 -4.157 1.00 0.00 C ATOM 1645 O GLU A 101 113.745 7.074 -3.225 1.00 0.00 O ATOM 1646 CB GLU A 101 111.148 7.636 -5.566 1.00 0.00 C ATOM 1647 CG GLU A 101 109.928 8.522 -5.861 1.00 0.00 C ATOM 1648 CD GLU A 101 109.037 8.660 -4.619 1.00 0.00 C ATOM 1649 OE1 GLU A 101 109.248 7.929 -3.667 1.00 0.00 O ATOM 1650 OE2 GLU A 101 108.153 9.502 -4.643 1.00 0.00 O ATOM 0 H GLU A 101 111.124 9.946 -4.602 1.00 0.00 H new ATOM 0 HA GLU A 101 111.237 7.308 -3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 101 111.914 7.800 -6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 101 110.863 6.586 -5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 101 110.260 9.508 -6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 101 109.352 8.093 -6.681 1.00 0.00 H new ATOM 1657 N TYR A 102 113.930 8.050 -5.181 1.00 0.00 N ATOM 1658 CA TYR A 102 115.396 7.787 -5.230 1.00 0.00 C ATOM 1659 C TYR A 102 116.040 8.077 -3.871 1.00 0.00 C ATOM 1660 O TYR A 102 116.959 7.399 -3.461 1.00 0.00 O ATOM 1661 CB TYR A 102 116.032 8.670 -6.301 1.00 0.00 C ATOM 1662 CG TYR A 102 117.477 8.275 -6.480 1.00 0.00 C ATOM 1663 CD1 TYR A 102 118.452 8.763 -5.603 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.839 7.419 -7.525 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.793 8.395 -5.774 1.00 0.00 C ATOM 1666 CE2 TYR A 102 119.178 7.053 -7.697 1.00 0.00 C ATOM 1667 CZ TYR A 102 120.156 7.539 -6.822 1.00 0.00 C ATOM 1668 OH TYR A 102 121.476 7.177 -6.991 1.00 0.00 O ATOM 0 H TYR A 102 113.552 8.543 -5.990 1.00 0.00 H new ATOM 0 HA TYR A 102 115.559 6.737 -5.473 1.00 0.00 H new ATOM 0 HB2 TYR A 102 115.494 8.563 -7.243 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.963 9.719 -6.012 1.00 0.00 H new ATOM 0 HD1 TYR A 102 118.171 9.423 -4.795 1.00 0.00 H new ATOM 0 HD2 TYR A 102 117.085 7.041 -8.199 1.00 0.00 H new ATOM 0 HE1 TYR A 102 120.547 8.771 -5.098 1.00 0.00 H new ATOM 0 HE2 TYR A 102 119.457 6.394 -8.506 1.00 0.00 H new ATOM 0 HH TYR A 102 121.555 6.579 -7.763 1.00 0.00 H new ATOM 1678 N LEU A 103 115.572 9.070 -3.168 1.00 0.00 N ATOM 1679 CA LEU A 103 116.166 9.385 -1.838 1.00 0.00 C ATOM 1680 C LEU A 103 115.983 8.208 -0.880 1.00 0.00 C ATOM 1681 O LEU A 103 116.934 7.557 -0.497 1.00 0.00 O ATOM 1682 CB LEU A 103 115.488 10.620 -1.263 1.00 0.00 C ATOM 1683 CG LEU A 103 116.548 11.680 -0.981 1.00 0.00 C ATOM 1684 CD1 LEU A 103 117.413 11.226 0.191 1.00 0.00 C ATOM 1685 CD2 LEU A 103 117.438 11.862 -2.205 1.00 0.00 C ATOM 0 H LEU A 103 114.805 9.677 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 103 117.232 9.573 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.748 11.005 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 103 114.956 10.366 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 103 116.056 12.623 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 103 118.172 11.980 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 103 116.788 11.091 1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 103 117.898 10.282 -0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 103 118.193 12.620 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.928 10.918 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 103 116.830 12.178 -3.053 1.00 0.00 H new ATOM 1697 N MET A 104 114.775 7.932 -0.480 1.00 0.00 N ATOM 1698 CA MET A 104 114.551 6.799 0.459 1.00 0.00 C ATOM 1699 C MET A 104 115.330 5.573 -0.026 1.00 0.00 C ATOM 1700 O MET A 104 115.738 4.736 0.756 1.00 0.00 O ATOM 1701 CB MET A 104 113.059 6.470 0.513 1.00 0.00 C ATOM 1702 CG MET A 104 112.774 5.588 1.729 1.00 0.00 C ATOM 1703 SD MET A 104 111.475 6.345 2.735 1.00 0.00 S ATOM 1704 CE MET A 104 111.284 4.985 3.913 1.00 0.00 C ATOM 0 H MET A 104 113.936 8.439 -0.761 1.00 0.00 H new ATOM 0 HA MET A 104 114.897 7.077 1.455 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.475 7.389 0.572 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.756 5.958 -0.400 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.465 4.594 1.406 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.681 5.463 2.321 1.00 0.00 H new ATOM 0 HE1 MET A 104 110.266 4.598 3.860 1.00 0.00 H new ATOM 0 HE2 MET A 104 111.988 4.190 3.668 1.00 0.00 H new ATOM 0 HE3 MET A 104 111.482 5.347 4.922 1.00 0.00 H new ATOM 1714 N TYR A 105 115.543 5.459 -1.310 1.00 0.00 N ATOM 1715 CA TYR A 105 116.296 4.285 -1.836 1.00 0.00 C ATOM 1716 C TYR A 105 117.773 4.408 -1.453 1.00 0.00 C ATOM 1717 O TYR A 105 118.395 3.454 -1.033 1.00 0.00 O ATOM 1718 CB TYR A 105 116.168 4.225 -3.358 1.00 0.00 C ATOM 1719 CG TYR A 105 116.801 2.951 -3.855 1.00 0.00 C ATOM 1720 CD1 TYR A 105 116.135 1.730 -3.692 1.00 0.00 C ATOM 1721 CD2 TYR A 105 118.057 2.985 -4.474 1.00 0.00 C ATOM 1722 CE1 TYR A 105 116.724 0.547 -4.147 1.00 0.00 C ATOM 1723 CE2 TYR A 105 118.645 1.802 -4.929 1.00 0.00 C ATOM 1724 CZ TYR A 105 117.980 0.582 -4.765 1.00 0.00 C ATOM 1725 OH TYR A 105 118.561 -0.587 -5.214 1.00 0.00 O ATOM 0 H TYR A 105 115.229 6.126 -2.015 1.00 0.00 H new ATOM 0 HA TYR A 105 115.883 3.374 -1.404 1.00 0.00 H new ATOM 0 HB2 TYR A 105 115.118 4.262 -3.649 1.00 0.00 H new ATOM 0 HB3 TYR A 105 116.655 5.089 -3.811 1.00 0.00 H new ATOM 0 HD1 TYR A 105 115.167 1.702 -3.215 1.00 0.00 H new ATOM 0 HD2 TYR A 105 118.571 3.926 -4.600 1.00 0.00 H new ATOM 0 HE1 TYR A 105 116.210 -0.395 -4.022 1.00 0.00 H new ATOM 0 HE2 TYR A 105 119.613 1.829 -5.407 1.00 0.00 H new ATOM 0 HH TYR A 105 117.973 -1.012 -5.873 1.00 0.00 H new ATOM 1735 N SER A 106 118.338 5.576 -1.591 1.00 0.00 N ATOM 1736 CA SER A 106 119.770 5.757 -1.224 1.00 0.00 C ATOM 1737 C SER A 106 119.937 5.427 0.257 1.00 0.00 C ATOM 1738 O SER A 106 120.898 4.806 0.663 1.00 0.00 O ATOM 1739 CB SER A 106 120.188 7.205 -1.480 1.00 0.00 C ATOM 1740 OG SER A 106 121.583 7.341 -1.233 1.00 0.00 O ATOM 0 H SER A 106 117.870 6.412 -1.942 1.00 0.00 H new ATOM 0 HA SER A 106 120.396 5.098 -1.826 1.00 0.00 H new ATOM 0 HB2 SER A 106 119.960 7.485 -2.508 1.00 0.00 H new ATOM 0 HB3 SER A 106 119.625 7.878 -0.834 1.00 0.00 H new ATOM 0 HG SER A 106 121.856 8.268 -1.398 1.00 0.00 H new ATOM 1746 N ALA A 107 118.995 5.830 1.066 1.00 0.00 N ATOM 1747 CA ALA A 107 119.083 5.529 2.520 1.00 0.00 C ATOM 1748 C ALA A 107 118.729 4.055 2.735 1.00 0.00 C ATOM 1749 O ALA A 107 119.008 3.480 3.768 1.00 0.00 O ATOM 1750 CB ALA A 107 118.093 6.414 3.287 1.00 0.00 C ATOM 0 H ALA A 107 118.168 6.355 0.781 1.00 0.00 H new ATOM 0 HA ALA A 107 120.092 5.726 2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.158 6.193 4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.336 7.463 3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.080 6.216 2.936 1.00 0.00 H new ATOM 1756 N LEU A 108 118.114 3.443 1.757 1.00 0.00 N ATOM 1757 CA LEU A 108 117.734 2.007 1.885 1.00 0.00 C ATOM 1758 C LEU A 108 118.896 1.121 1.429 1.00 0.00 C ATOM 1759 O LEU A 108 118.982 -0.037 1.786 1.00 0.00 O ATOM 1760 CB LEU A 108 116.514 1.725 1.008 1.00 0.00 C ATOM 1761 CG LEU A 108 115.237 2.073 1.775 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.020 1.788 0.893 1.00 0.00 C ATOM 1763 CD2 LEU A 108 115.158 1.219 3.042 1.00 0.00 C ATOM 0 H LEU A 108 117.858 3.879 0.871 1.00 0.00 H new ATOM 0 HA LEU A 108 117.499 1.789 2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 108 116.570 2.311 0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 108 116.499 0.675 0.715 1.00 0.00 H new ATOM 0 HG LEU A 108 115.250 3.129 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.109 2.036 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.077 2.393 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.006 0.732 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 108 114.249 1.465 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 108 115.143 0.164 2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.026 1.419 3.670 1.00 0.00 H new ATOM 1775 N THR A 109 119.789 1.652 0.639 1.00 0.00 N ATOM 1776 CA THR A 109 120.939 0.834 0.159 1.00 0.00 C ATOM 1777 C THR A 109 122.163 1.112 1.031 1.00 0.00 C ATOM 1778 O THR A 109 123.013 0.263 1.212 1.00 0.00 O ATOM 1779 CB THR A 109 121.254 1.199 -1.294 1.00 0.00 C ATOM 1780 OG1 THR A 109 121.887 2.470 -1.335 1.00 0.00 O ATOM 1781 CG2 THR A 109 119.957 1.246 -2.102 1.00 0.00 C ATOM 0 H THR A 109 119.772 2.616 0.305 1.00 0.00 H new ATOM 0 HA THR A 109 120.682 -0.224 0.221 1.00 0.00 H new ATOM 0 HB THR A 109 121.919 0.449 -1.722 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.432 3.082 -0.719 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.182 1.506 -3.136 1.00 0.00 H new ATOM 0 HG22 THR A 109 119.473 0.270 -2.070 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.290 1.996 -1.676 1.00 0.00 H new ATOM 1789 N ARG A 110 122.260 2.293 1.574 1.00 0.00 N ATOM 1790 CA ARG A 110 123.429 2.622 2.436 1.00 0.00 C ATOM 1791 C ARG A 110 123.122 2.213 3.877 1.00 0.00 C ATOM 1792 O ARG A 110 122.011 2.353 4.348 1.00 0.00 O ATOM 1793 CB ARG A 110 123.699 4.127 2.378 1.00 0.00 C ATOM 1794 CG ARG A 110 123.809 4.570 0.917 1.00 0.00 C ATOM 1795 CD ARG A 110 123.863 6.098 0.849 1.00 0.00 C ATOM 1796 NE ARG A 110 124.924 6.598 1.768 1.00 0.00 N ATOM 1797 CZ ARG A 110 125.680 7.599 1.408 1.00 0.00 C ATOM 1798 NH1 ARG A 110 126.132 7.667 0.186 1.00 0.00 N ATOM 1799 NH2 ARG A 110 125.985 8.529 2.271 1.00 0.00 N ATOM 0 H ARG A 110 121.580 3.045 1.458 1.00 0.00 H new ATOM 0 HA ARG A 110 124.308 2.084 2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 110 122.895 4.671 2.874 1.00 0.00 H new ATOM 0 HB3 ARG A 110 124.620 4.363 2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 110 124.703 4.143 0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 110 122.956 4.200 0.349 1.00 0.00 H new ATOM 0 HD2 ARG A 110 124.069 6.420 -0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 110 122.897 6.520 1.127 1.00 0.00 H new ATOM 0 HE ARG A 110 125.059 6.158 2.678 1.00 0.00 H new ATOM 0 HH11 ARG A 110 125.894 6.938 -0.487 1.00 0.00 H new ATOM 0 HH12 ARG A 110 126.723 8.449 -0.096 1.00 0.00 H new ATOM 0 HH21 ARG A 110 125.633 8.473 3.227 1.00 0.00 H new ATOM 0 HH22 ARG A 110 126.576 9.312 1.990 1.00 0.00 H new ATOM 1813 N ASP A 111 124.100 1.708 4.580 1.00 0.00 N ATOM 1814 CA ASP A 111 123.866 1.290 5.991 1.00 0.00 C ATOM 1815 C ASP A 111 123.023 2.353 6.704 1.00 0.00 C ATOM 1816 O ASP A 111 123.010 3.500 6.305 1.00 0.00 O ATOM 1817 CB ASP A 111 125.210 1.142 6.707 1.00 0.00 C ATOM 1818 CG ASP A 111 125.851 -0.193 6.322 1.00 0.00 C ATOM 1819 OD1 ASP A 111 125.148 -1.033 5.786 1.00 0.00 O ATOM 1820 OD2 ASP A 111 127.036 -0.351 6.569 1.00 0.00 O ATOM 0 H ASP A 111 125.050 1.567 4.238 1.00 0.00 H new ATOM 0 HA ASP A 111 123.338 0.336 6.006 1.00 0.00 H new ATOM 0 HB2 ASP A 111 125.871 1.966 6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.066 1.190 7.786 1.00 0.00 H new ATOM 1825 N PRO A 112 122.346 1.936 7.743 1.00 0.00 N ATOM 1826 CA PRO A 112 122.370 0.539 8.217 1.00 0.00 C ATOM 1827 C PRO A 112 121.445 -0.340 7.366 1.00 0.00 C ATOM 1828 O PRO A 112 121.175 -1.475 7.705 1.00 0.00 O ATOM 1829 CB PRO A 112 121.848 0.642 9.653 1.00 0.00 C ATOM 1830 CG PRO A 112 121.032 1.955 9.727 1.00 0.00 C ATOM 1831 CD PRO A 112 121.496 2.832 8.550 1.00 0.00 C ATOM 0 HA PRO A 112 123.359 0.085 8.154 1.00 0.00 H new ATOM 0 HB2 PRO A 112 121.225 -0.217 9.903 1.00 0.00 H new ATOM 0 HB3 PRO A 112 122.672 0.656 10.366 1.00 0.00 H new ATOM 0 HG2 PRO A 112 119.963 1.751 9.660 1.00 0.00 H new ATOM 0 HG3 PRO A 112 121.200 2.462 10.677 1.00 0.00 H new ATOM 0 HD2 PRO A 112 120.649 3.204 7.973 1.00 0.00 H new ATOM 0 HD3 PRO A 112 122.052 3.703 8.897 1.00 0.00 H new ATOM 1839 N PHE A 113 120.955 0.169 6.267 1.00 0.00 N ATOM 1840 CA PHE A 113 120.049 -0.655 5.413 1.00 0.00 C ATOM 1841 C PHE A 113 120.848 -1.282 4.270 1.00 0.00 C ATOM 1842 O PHE A 113 121.384 -0.595 3.423 1.00 0.00 O ATOM 1843 CB PHE A 113 118.936 0.227 4.832 1.00 0.00 C ATOM 1844 CG PHE A 113 118.072 0.780 5.947 1.00 0.00 C ATOM 1845 CD1 PHE A 113 118.253 0.344 7.265 1.00 0.00 C ATOM 1846 CD2 PHE A 113 117.094 1.740 5.662 1.00 0.00 C ATOM 1847 CE1 PHE A 113 117.466 0.864 8.290 1.00 0.00 C ATOM 1848 CE2 PHE A 113 116.303 2.258 6.689 1.00 0.00 C ATOM 1849 CZ PHE A 113 116.487 1.823 8.005 1.00 0.00 C ATOM 0 H PHE A 113 121.141 1.112 5.925 1.00 0.00 H new ATOM 0 HA PHE A 113 119.605 -1.443 6.022 1.00 0.00 H new ATOM 0 HB2 PHE A 113 119.372 1.046 4.260 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.324 -0.354 4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 113 119.005 -0.398 7.488 1.00 0.00 H new ATOM 0 HD2 PHE A 113 116.951 2.080 4.647 1.00 0.00 H new ATOM 0 HE1 PHE A 113 117.611 0.527 9.306 1.00 0.00 H new ATOM 0 HE2 PHE A 113 115.547 2.997 6.466 1.00 0.00 H new ATOM 0 HZ PHE A 113 115.876 2.226 8.799 1.00 0.00 H new ATOM 1859 N SER A 114 120.930 -2.584 4.237 1.00 0.00 N ATOM 1860 CA SER A 114 121.693 -3.252 3.143 1.00 0.00 C ATOM 1861 C SER A 114 120.749 -3.559 1.979 1.00 0.00 C ATOM 1862 O SER A 114 119.571 -3.267 2.028 1.00 0.00 O ATOM 1863 CB SER A 114 122.307 -4.552 3.663 1.00 0.00 C ATOM 1864 OG SER A 114 123.434 -4.890 2.865 1.00 0.00 O ATOM 0 H SER A 114 120.503 -3.213 4.917 1.00 0.00 H new ATOM 0 HA SER A 114 122.489 -2.591 2.801 1.00 0.00 H new ATOM 0 HB2 SER A 114 122.606 -4.436 4.705 1.00 0.00 H new ATOM 0 HB3 SER A 114 121.570 -5.354 3.631 1.00 0.00 H new ATOM 0 HG SER A 114 123.832 -5.722 3.196 1.00 0.00 H new ATOM 1870 N VAL A 115 121.255 -4.149 0.930 1.00 0.00 N ATOM 1871 CA VAL A 115 120.382 -4.475 -0.232 1.00 0.00 C ATOM 1872 C VAL A 115 120.327 -5.992 -0.420 1.00 0.00 C ATOM 1873 O VAL A 115 121.332 -6.671 -0.360 1.00 0.00 O ATOM 1874 CB VAL A 115 120.948 -3.828 -1.498 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.945 -3.987 -2.642 1.00 0.00 C ATOM 1876 CG2 VAL A 115 121.197 -2.340 -1.242 1.00 0.00 C ATOM 0 H VAL A 115 122.233 -4.419 0.828 1.00 0.00 H new ATOM 0 HA VAL A 115 119.378 -4.093 -0.046 1.00 0.00 H new ATOM 0 HB VAL A 115 121.887 -4.313 -1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.347 -3.527 -3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.766 -5.047 -2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 115 119.007 -3.501 -2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.600 -1.878 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.258 -1.855 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.910 -2.226 -0.426 1.00 0.00 H new ATOM 1886 N ILE A 116 119.159 -6.528 -0.648 1.00 0.00 N ATOM 1887 CA ILE A 116 119.043 -8.001 -0.840 1.00 0.00 C ATOM 1888 C ILE A 116 118.738 -8.303 -2.308 1.00 0.00 C ATOM 1889 O ILE A 116 119.449 -9.043 -2.959 1.00 0.00 O ATOM 1890 CB ILE A 116 117.914 -8.543 0.038 1.00 0.00 C ATOM 1891 CG1 ILE A 116 118.046 -7.965 1.450 1.00 0.00 C ATOM 1892 CG2 ILE A 116 118.005 -10.069 0.103 1.00 0.00 C ATOM 1893 CD1 ILE A 116 116.685 -8.004 2.148 1.00 0.00 C ATOM 0 H ILE A 116 118.282 -6.011 -0.709 1.00 0.00 H new ATOM 0 HA ILE A 116 119.982 -8.478 -0.559 1.00 0.00 H new ATOM 0 HB ILE A 116 116.953 -8.254 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 116 118.776 -8.538 2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 116 118.412 -6.940 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 116 117.200 -10.455 0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.914 -10.482 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.966 -10.358 0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 116 116.780 -7.593 3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.967 -7.412 1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 116 116.337 -9.035 2.209 1.00 0.00 H new ATOM 1905 N GLU A 117 117.687 -7.739 -2.840 1.00 0.00 N ATOM 1906 CA GLU A 117 117.348 -8.003 -4.268 1.00 0.00 C ATOM 1907 C GLU A 117 116.614 -6.799 -4.861 1.00 0.00 C ATOM 1908 O GLU A 117 116.313 -5.842 -4.177 1.00 0.00 O ATOM 1909 CB GLU A 117 116.452 -9.240 -4.358 1.00 0.00 C ATOM 1910 CG GLU A 117 117.260 -10.416 -4.912 1.00 0.00 C ATOM 1911 CD GLU A 117 116.430 -11.697 -4.817 1.00 0.00 C ATOM 1912 OE1 GLU A 117 115.253 -11.596 -4.514 1.00 0.00 O ATOM 1913 OE2 GLU A 117 116.987 -12.758 -5.046 1.00 0.00 O ATOM 0 H GLU A 117 117.051 -7.110 -2.350 1.00 0.00 H new ATOM 0 HA GLU A 117 118.267 -8.174 -4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 117 116.057 -9.488 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 117 115.597 -9.037 -5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 117 117.535 -10.225 -5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 117 118.188 -10.529 -4.351 1.00 0.00 H new ATOM 1920 N GLU A 118 116.325 -6.842 -6.136 1.00 0.00 N ATOM 1921 CA GLU A 118 115.611 -5.704 -6.782 1.00 0.00 C ATOM 1922 C GLU A 118 115.362 -6.029 -8.256 1.00 0.00 C ATOM 1923 O GLU A 118 115.726 -7.083 -8.740 1.00 0.00 O ATOM 1924 CB GLU A 118 116.464 -4.436 -6.685 1.00 0.00 C ATOM 1925 CG GLU A 118 117.948 -4.811 -6.684 1.00 0.00 C ATOM 1926 CD GLU A 118 118.714 -3.875 -7.619 1.00 0.00 C ATOM 1927 OE1 GLU A 118 118.636 -2.674 -7.419 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.367 -4.374 -8.521 1.00 0.00 O ATOM 0 H GLU A 118 116.554 -7.618 -6.757 1.00 0.00 H new ATOM 0 HA GLU A 118 114.660 -5.543 -6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 118 116.247 -3.775 -7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.217 -3.889 -5.775 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.350 -4.741 -5.673 1.00 0.00 H new ATOM 0 HG3 GLU A 118 118.072 -5.845 -7.006 1.00 0.00 H new ATOM 1935 N SER A 119 114.748 -5.130 -8.974 1.00 0.00 N ATOM 1936 CA SER A 119 114.480 -5.384 -10.418 1.00 0.00 C ATOM 1937 C SER A 119 115.404 -4.513 -11.271 1.00 0.00 C ATOM 1938 O SER A 119 115.885 -4.930 -12.306 1.00 0.00 O ATOM 1939 CB SER A 119 113.024 -5.045 -10.736 1.00 0.00 C ATOM 1940 OG SER A 119 112.927 -4.621 -12.089 1.00 0.00 O ATOM 0 H SER A 119 114.420 -4.230 -8.623 1.00 0.00 H new ATOM 0 HA SER A 119 114.664 -6.435 -10.640 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.391 -5.916 -10.569 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.667 -4.259 -10.070 1.00 0.00 H new ATOM 0 HG SER A 119 111.994 -4.404 -12.298 1.00 0.00 H new ATOM 1946 N LEU A 120 115.660 -3.305 -10.846 1.00 0.00 N ATOM 1947 CA LEU A 120 116.554 -2.411 -11.636 1.00 0.00 C ATOM 1948 C LEU A 120 118.014 -2.779 -11.361 1.00 0.00 C ATOM 1949 O LEU A 120 118.338 -3.272 -10.300 1.00 0.00 O ATOM 1950 CB LEU A 120 116.317 -0.955 -11.228 1.00 0.00 C ATOM 1951 CG LEU A 120 115.185 -0.365 -12.069 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.681 0.924 -11.416 1.00 0.00 C ATOM 1953 CD2 LEU A 120 115.705 -0.052 -13.474 1.00 0.00 C ATOM 0 H LEU A 120 115.289 -2.899 -9.987 1.00 0.00 H new ATOM 0 HA LEU A 120 116.337 -2.532 -12.697 1.00 0.00 H new ATOM 0 HB2 LEU A 120 116.064 -0.900 -10.169 1.00 0.00 H new ATOM 0 HB3 LEU A 120 117.229 -0.374 -11.368 1.00 0.00 H new ATOM 0 HG LEU A 120 114.368 -1.084 -12.133 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.874 1.344 -12.016 1.00 0.00 H new ATOM 0 HD12 LEU A 120 114.312 0.704 -10.414 1.00 0.00 H new ATOM 0 HD13 LEU A 120 115.498 1.643 -11.352 1.00 0.00 H new ATOM 0 HD21 LEU A 120 114.899 0.369 -14.075 1.00 0.00 H new ATOM 0 HD22 LEU A 120 116.522 0.667 -13.408 1.00 0.00 H new ATOM 0 HD23 LEU A 120 116.065 -0.969 -13.941 1.00 0.00 H new ATOM 1965 N PRO A 121 118.855 -2.523 -12.332 1.00 0.00 N ATOM 1966 CA PRO A 121 120.295 -2.812 -12.231 1.00 0.00 C ATOM 1967 C PRO A 121 120.997 -1.733 -11.401 1.00 0.00 C ATOM 1968 O PRO A 121 121.622 -0.837 -11.931 1.00 0.00 O ATOM 1969 CB PRO A 121 120.768 -2.780 -13.687 1.00 0.00 C ATOM 1970 CG PRO A 121 119.732 -1.934 -14.466 1.00 0.00 C ATOM 1971 CD PRO A 121 118.446 -1.924 -13.619 1.00 0.00 C ATOM 0 HA PRO A 121 120.512 -3.760 -11.740 1.00 0.00 H new ATOM 0 HB2 PRO A 121 121.763 -2.341 -13.762 1.00 0.00 H new ATOM 0 HB3 PRO A 121 120.832 -3.788 -14.096 1.00 0.00 H new ATOM 0 HG2 PRO A 121 120.100 -0.920 -14.624 1.00 0.00 H new ATOM 0 HG3 PRO A 121 119.544 -2.362 -15.451 1.00 0.00 H new ATOM 0 HD2 PRO A 121 118.066 -0.911 -13.484 1.00 0.00 H new ATOM 0 HD3 PRO A 121 117.652 -2.502 -14.093 1.00 0.00 H new ATOM 1979 N GLY A 122 120.898 -1.813 -10.101 1.00 0.00 N ATOM 1980 CA GLY A 122 121.559 -0.792 -9.239 1.00 0.00 C ATOM 1981 C GLY A 122 120.502 -0.065 -8.405 1.00 0.00 C ATOM 1982 O GLY A 122 120.790 0.476 -7.357 1.00 0.00 O ATOM 0 H GLY A 122 120.388 -2.541 -9.600 1.00 0.00 H new ATOM 0 HA2 GLY A 122 122.288 -1.270 -8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 122 122.105 -0.078 -9.856 1.00 0.00 H new ATOM 1986 N GLY A 123 119.280 -0.047 -8.864 1.00 0.00 N ATOM 1987 CA GLY A 123 118.206 0.647 -8.098 1.00 0.00 C ATOM 1988 C GLY A 123 117.790 1.917 -8.841 1.00 0.00 C ATOM 1989 O GLY A 123 118.037 2.063 -10.021 1.00 0.00 O ATOM 0 H GLY A 123 118.979 -0.483 -9.736 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.347 -0.013 -7.975 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.561 0.897 -7.098 1.00 0.00 H new ATOM 1993 N LEU A 124 117.163 2.838 -8.160 1.00 0.00 N ATOM 1994 CA LEU A 124 116.735 4.098 -8.831 1.00 0.00 C ATOM 1995 C LEU A 124 117.971 4.823 -9.374 1.00 0.00 C ATOM 1996 O LEU A 124 119.090 4.467 -9.061 1.00 0.00 O ATOM 1997 CB LEU A 124 116.002 4.990 -7.824 1.00 0.00 C ATOM 1998 CG LEU A 124 114.933 4.167 -7.094 1.00 0.00 C ATOM 1999 CD1 LEU A 124 114.122 5.077 -6.170 1.00 0.00 C ATOM 2000 CD2 LEU A 124 113.991 3.529 -8.115 1.00 0.00 C ATOM 0 H LEU A 124 116.929 2.772 -7.169 1.00 0.00 H new ATOM 0 HA LEU A 124 116.061 3.868 -9.656 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.710 5.404 -7.106 1.00 0.00 H new ATOM 0 HB3 LEU A 124 115.539 5.833 -8.338 1.00 0.00 H new ATOM 0 HG LEU A 124 115.422 3.390 -6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 124 113.364 4.488 -5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 124 114.786 5.537 -5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 124 113.638 5.855 -6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 124 113.232 2.945 -7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 124 113.508 4.310 -8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 124 114.560 2.877 -8.777 1.00 0.00 H new