USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 935 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 101 SER OG : rot -96:sc= 0.666 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 80 THR OG1 : rot -150:sc= 0 USER MOD Set 2.2: A 86 SER OG : rot -98:sc= 0.425 USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0.398 USER MOD Set 3.2: A 47 THR OG1 : rot -80:sc= 0.435 USER MOD Set 4.1: A 40 SER OG : rot 170:sc= -0.0241 USER MOD Set 4.2: A 41 HIS : no HD1:sc= 0 X(o=-0.024,f=-0.024) USER MOD Set 5.1: A 17 THR OG1 : rot 41:sc= 0.206 USER MOD Set 5.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASN :FLIP amide:sc= -2.91 F(o=-8.3!,f=-2.9) USER MOD Single : A 1 ASN N :NH3+ 140:sc= 0.0566 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0582 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 27 THR OG1 : rot 170:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= -0.019 (180deg=-0.264) USER MOD Single : A 31 TYR OH : rot 153:sc= 0.15 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 172:sc= -1.72! USER MOD Single : A 42 SER OG : rot -19:sc= 0.237 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 44 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.54) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -11.8! C(o=-15!,f=-12!) USER MOD Single : A 50 SER OG : rot -56:sc= 0.245 USER MOD Single : A 56 TYR OH : rot -5:sc= -0.841 USER MOD Single : A 57 ASN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 108:sc= 1.21 USER MOD Single : A 63 LYS NZ :NH3+ -125:sc= -1.74! (180deg=-5.13!) USER MOD Single : A 67 HIS : no HD1:sc= -1.45 K(o=-1.4,f=-4.1!) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.0513 F(o=-0.94,f=-0.051) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 79 LYS NZ :NH3+ -124:sc= 0.983 (180deg=-0.769) USER MOD Single : A 83 SER OG : rot 32:sc= 0.0559 USER MOD Single : A 87 GLN : amide:sc= -8.98! C(o=-9!,f=-10!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= -0.853 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -95:sc= 1.23 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 32.736 -0.645 -1.204 1.00 0.00 N ATOM 21 CA ASN A 1 31.559 0.208 -1.331 1.00 0.00 C ATOM 22 C ASN A 1 30.616 -0.312 -2.409 1.00 0.00 C ATOM 23 O ASN A 1 31.035 -1.007 -3.333 1.00 0.00 O ATOM 24 CB ASN A 1 31.974 1.643 -1.660 1.00 0.00 C ATOM 25 CG ASN A 1 31.998 2.531 -0.435 1.00 0.00 C ATOM 26 OD1 ASN A 1 30.863 3.153 -0.141 1.00 0.00 O flip ATOM 27 ND2 ASN A 1 33.019 2.656 0.240 1.00 0.00 N flip ATOM 0 H1 ASN A 1 33.579 -0.054 -1.060 1.00 0.00 H new ATOM 0 H2 ASN A 1 32.617 -1.282 -0.391 1.00 0.00 H new ATOM 0 H3 ASN A 1 32.852 -1.208 -2.071 1.00 0.00 H new ATOM 0 HA ASN A 1 31.034 0.194 -0.376 1.00 0.00 H new ATOM 0 HB2 ASN A 1 32.962 1.636 -2.120 1.00 0.00 H new ATOM 0 HB3 ASN A 1 31.284 2.059 -2.394 1.00 0.00 H new ATOM 0 HD21 ASN A 1 33.869 2.158 -0.024 1.00 0.00 H new ATOM 0 HD22 ASN A 1 33.015 3.258 1.064 1.00 0.00 H new ATOM 34 N CYS A 2 29.338 0.031 -2.281 1.00 0.00 N ATOM 35 CA CYS A 2 28.335 -0.392 -3.247 1.00 0.00 C ATOM 36 C CYS A 2 28.092 0.699 -4.282 1.00 0.00 C ATOM 37 O CYS A 2 28.557 1.829 -4.126 1.00 0.00 O ATOM 38 CB CYS A 2 27.029 -0.747 -2.537 1.00 0.00 C ATOM 39 SG CYS A 2 27.104 -2.298 -1.584 1.00 0.00 S ATOM 0 H CYS A 2 28.974 0.601 -1.517 1.00 0.00 H new ATOM 0 HA CYS A 2 28.707 -1.279 -3.761 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.759 0.068 -1.865 1.00 0.00 H new ATOM 0 HB3 CYS A 2 26.234 -0.826 -3.278 1.00 0.00 H new ATOM 44 N GLY A 3 27.363 0.358 -5.337 1.00 0.00 N ATOM 45 CA GLY A 3 27.061 1.331 -6.369 1.00 0.00 C ATOM 46 C GLY A 3 25.991 2.310 -5.923 1.00 0.00 C ATOM 47 O GLY A 3 25.174 1.976 -5.065 1.00 0.00 O ATOM 0 H GLY A 3 26.976 -0.572 -5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 3 27.967 1.877 -6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 3 26.729 0.815 -7.270 1.00 0.00 H new ATOM 51 N PRO A 4 25.971 3.534 -6.482 1.00 0.00 N ATOM 52 CA PRO A 4 24.981 4.554 -6.119 1.00 0.00 C ATOM 53 C PRO A 4 23.565 3.987 -6.010 1.00 0.00 C ATOM 54 O PRO A 4 23.083 3.324 -6.928 1.00 0.00 O ATOM 55 CB PRO A 4 25.085 5.548 -7.272 1.00 0.00 C ATOM 56 CG PRO A 4 26.514 5.467 -7.688 1.00 0.00 C ATOM 57 CD PRO A 4 26.912 4.025 -7.511 1.00 0.00 C ATOM 0 HA PRO A 4 25.174 4.990 -5.139 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.415 5.282 -8.090 1.00 0.00 H new ATOM 0 HB3 PRO A 4 24.818 6.556 -6.956 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.638 5.783 -8.724 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.136 6.122 -7.078 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.818 3.465 -8.441 1.00 0.00 H new ATOM 0 HD3 PRO A 4 27.948 3.931 -7.186 1.00 0.00 H new ATOM 65 N PRO A 5 22.883 4.244 -4.876 1.00 0.00 N ATOM 66 CA PRO A 5 21.520 3.754 -4.636 1.00 0.00 C ATOM 67 C PRO A 5 20.573 4.027 -5.802 1.00 0.00 C ATOM 68 O PRO A 5 20.543 5.131 -6.346 1.00 0.00 O ATOM 69 CB PRO A 5 21.078 4.535 -3.399 1.00 0.00 C ATOM 70 CG PRO A 5 22.343 4.827 -2.673 1.00 0.00 C ATOM 71 CD PRO A 5 23.389 5.033 -3.734 1.00 0.00 C ATOM 0 HA PRO A 5 21.500 2.671 -4.511 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.557 5.452 -3.674 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.393 3.951 -2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.239 5.715 -2.049 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.613 4.003 -2.013 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.498 6.087 -3.991 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.368 4.682 -3.406 1.00 0.00 H new ATOM 79 N PRO A 6 19.785 3.011 -6.200 1.00 0.00 N ATOM 80 CA PRO A 6 18.824 3.118 -7.297 1.00 0.00 C ATOM 81 C PRO A 6 17.495 3.715 -6.845 1.00 0.00 C ATOM 82 O PRO A 6 17.322 4.170 -5.714 1.00 0.00 O ATOM 83 CB PRO A 6 18.612 1.657 -7.733 1.00 0.00 C ATOM 84 CG PRO A 6 19.432 0.809 -6.805 1.00 0.00 C ATOM 85 CD PRO A 6 19.772 1.665 -5.621 1.00 0.00 C ATOM 0 HA PRO A 6 19.189 3.772 -8.089 1.00 0.00 H new ATOM 0 HB2 PRO A 6 17.558 1.385 -7.677 1.00 0.00 H new ATOM 0 HB3 PRO A 6 18.924 1.512 -8.767 1.00 0.00 H new ATOM 0 HG2 PRO A 6 18.875 -0.075 -6.495 1.00 0.00 H new ATOM 0 HG3 PRO A 6 20.337 0.458 -7.301 1.00 0.00 H new ATOM 0 HD2 PRO A 6 19.032 1.572 -4.826 1.00 0.00 H new ATOM 0 HD3 PRO A 6 20.737 1.398 -5.191 1.00 0.00 H new ATOM 93 N THR A 7 16.568 3.684 -7.801 1.00 0.00 N ATOM 94 CA THR A 7 15.215 4.193 -7.623 1.00 0.00 C ATOM 95 C THR A 7 14.259 3.017 -7.453 1.00 0.00 C ATOM 96 O THR A 7 13.356 2.830 -8.269 1.00 0.00 O ATOM 97 CB THR A 7 14.775 5.019 -8.849 1.00 0.00 C ATOM 98 OG1 THR A 7 15.778 5.990 -9.173 1.00 0.00 O ATOM 99 CG2 THR A 7 13.453 5.725 -8.581 1.00 0.00 C ATOM 0 H THR A 7 16.740 3.300 -8.730 1.00 0.00 H new ATOM 0 HA THR A 7 15.197 4.833 -6.741 1.00 0.00 H new ATOM 0 HB THR A 7 14.643 4.336 -9.688 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.491 6.509 -9.953 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.163 6.301 -9.460 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.683 4.985 -8.362 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.565 6.395 -7.729 1.00 0.00 H new ATOM 107 N LEU A 8 14.463 2.215 -6.414 1.00 0.00 N ATOM 108 CA LEU A 8 13.628 1.034 -6.212 1.00 0.00 C ATOM 109 C LEU A 8 12.155 1.384 -6.387 1.00 0.00 C ATOM 110 O LEU A 8 11.635 2.258 -5.704 1.00 0.00 O ATOM 111 CB LEU A 8 13.853 0.459 -4.814 1.00 0.00 C ATOM 112 CG LEU A 8 15.266 0.645 -4.262 1.00 0.00 C ATOM 113 CD1 LEU A 8 15.353 0.124 -2.837 1.00 0.00 C ATOM 114 CD2 LEU A 8 16.285 -0.047 -5.152 1.00 0.00 C ATOM 0 H LEU A 8 15.186 2.356 -5.709 1.00 0.00 H new ATOM 0 HA LEU A 8 13.907 0.289 -6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.146 0.925 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.624 -0.606 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 8 15.494 1.711 -4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.366 0.264 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.652 0.670 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.104 -0.937 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 8 17.284 0.098 -4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.063 -1.113 -5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 8 16.240 0.378 -6.155 1.00 0.00 H new ATOM 126 N SER A 9 11.485 0.714 -7.312 1.00 0.00 N ATOM 127 CA SER A 9 10.072 0.981 -7.545 1.00 0.00 C ATOM 128 C SER A 9 9.233 0.473 -6.375 1.00 0.00 C ATOM 129 O SER A 9 8.011 0.622 -6.359 1.00 0.00 O ATOM 130 CB SER A 9 9.607 0.335 -8.851 1.00 0.00 C ATOM 131 OG SER A 9 9.766 -1.072 -8.810 1.00 0.00 O ATOM 0 H SER A 9 11.889 -0.009 -7.907 1.00 0.00 H new ATOM 0 HA SER A 9 9.938 2.060 -7.628 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.560 0.581 -9.029 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.177 0.744 -9.685 1.00 0.00 H new ATOM 0 HG SER A 9 9.460 -1.461 -9.656 1.00 0.00 H new ATOM 137 N PHE A 10 9.907 -0.130 -5.400 1.00 0.00 N ATOM 138 CA PHE A 10 9.246 -0.657 -4.213 1.00 0.00 C ATOM 139 C PHE A 10 9.784 0.025 -2.962 1.00 0.00 C ATOM 140 O PHE A 10 9.952 -0.608 -1.919 1.00 0.00 O ATOM 141 CB PHE A 10 9.444 -2.172 -4.118 1.00 0.00 C ATOM 142 CG PHE A 10 10.862 -2.617 -4.336 1.00 0.00 C ATOM 143 CD1 PHE A 10 11.401 -2.662 -5.613 1.00 0.00 C ATOM 144 CD2 PHE A 10 11.655 -2.989 -3.265 1.00 0.00 C ATOM 145 CE1 PHE A 10 12.705 -3.071 -5.815 1.00 0.00 C ATOM 146 CE2 PHE A 10 12.958 -3.400 -3.462 1.00 0.00 C ATOM 147 CZ PHE A 10 13.485 -3.441 -4.738 1.00 0.00 C ATOM 0 H PHE A 10 10.918 -0.266 -5.411 1.00 0.00 H new ATOM 0 HA PHE A 10 8.178 -0.451 -4.292 1.00 0.00 H new ATOM 0 HB2 PHE A 10 9.115 -2.510 -3.136 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.804 -2.659 -4.854 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.795 -2.374 -6.459 1.00 0.00 H new ATOM 0 HD2 PHE A 10 11.250 -2.957 -2.264 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.114 -3.101 -6.814 1.00 0.00 H new ATOM 0 HE2 PHE A 10 13.566 -3.690 -2.618 1.00 0.00 H new ATOM 0 HZ PHE A 10 14.505 -3.762 -4.893 1.00 0.00 H new ATOM 157 N ALA A 11 10.010 1.336 -3.084 1.00 0.00 N ATOM 158 CA ALA A 11 10.541 2.169 -2.004 1.00 0.00 C ATOM 159 C ALA A 11 11.208 3.404 -2.597 1.00 0.00 C ATOM 160 O ALA A 11 11.737 3.380 -3.703 1.00 0.00 O ATOM 161 CB ALA A 11 11.531 1.403 -1.138 1.00 0.00 C ATOM 0 H ALA A 11 9.827 1.853 -3.944 1.00 0.00 H new ATOM 0 HA ALA A 11 9.710 2.469 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.903 2.055 -0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.034 0.541 -0.694 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.366 1.064 -1.752 1.00 0.00 H new ATOM 167 N ALA A 12 11.183 4.480 -1.827 1.00 0.00 N ATOM 168 CA ALA A 12 11.811 5.717 -2.271 1.00 0.00 C ATOM 169 C ALA A 12 12.573 6.393 -1.135 1.00 0.00 C ATOM 170 O ALA A 12 12.250 6.196 0.034 1.00 0.00 O ATOM 171 CB ALA A 12 10.761 6.660 -2.841 1.00 0.00 C ATOM 0 H ALA A 12 10.744 4.525 -0.908 1.00 0.00 H new ATOM 0 HA ALA A 12 12.530 5.470 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.240 7.582 -3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.267 6.185 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.022 6.889 -2.073 1.00 0.00 H new ATOM 177 N PRO A 13 13.588 7.212 -1.468 1.00 0.00 N ATOM 178 CA PRO A 13 14.399 7.916 -0.471 1.00 0.00 C ATOM 179 C PRO A 13 13.563 8.535 0.645 1.00 0.00 C ATOM 180 O PRO A 13 12.433 8.975 0.426 1.00 0.00 O ATOM 181 CB PRO A 13 15.084 9.006 -1.293 1.00 0.00 C ATOM 182 CG PRO A 13 15.221 8.414 -2.654 1.00 0.00 C ATOM 183 CD PRO A 13 14.025 7.518 -2.847 1.00 0.00 C ATOM 0 HA PRO A 13 15.086 7.243 0.042 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.490 9.919 -1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.056 9.268 -0.874 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.250 9.193 -3.416 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.149 7.848 -2.741 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.239 8.016 -3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.288 6.612 -3.394 1.00 0.00 H new ATOM 191 N MET A 14 14.137 8.563 1.842 1.00 0.00 N ATOM 192 CA MET A 14 13.463 9.128 3.006 1.00 0.00 C ATOM 193 C MET A 14 14.479 9.723 3.974 1.00 0.00 C ATOM 194 O MET A 14 14.194 10.693 4.675 1.00 0.00 O ATOM 195 CB MET A 14 12.630 8.050 3.706 1.00 0.00 C ATOM 196 CG MET A 14 11.460 8.596 4.513 1.00 0.00 C ATOM 197 SD MET A 14 11.976 9.485 5.994 1.00 0.00 S ATOM 198 CE MET A 14 10.389 9.864 6.732 1.00 0.00 C ATOM 0 H MET A 14 15.071 8.200 2.033 1.00 0.00 H new ATOM 0 HA MET A 14 12.798 9.925 2.672 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.249 7.357 2.956 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.279 7.477 4.369 1.00 0.00 H new ATOM 0 HG2 MET A 14 10.871 9.263 3.883 1.00 0.00 H new ATOM 0 HG3 MET A 14 10.808 7.771 4.800 1.00 0.00 H new ATOM 0 HE1 MET A 14 10.542 10.415 7.660 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.802 10.471 6.042 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.856 8.937 6.944 1.00 0.00 H new ATOM 208 N ASP A 15 15.669 9.140 3.997 1.00 0.00 N ATOM 209 CA ASP A 15 16.732 9.602 4.883 1.00 0.00 C ATOM 210 C ASP A 15 18.099 9.294 4.288 1.00 0.00 C ATOM 211 O ASP A 15 18.752 8.322 4.671 1.00 0.00 O ATOM 212 CB ASP A 15 16.599 8.947 6.257 1.00 0.00 C ATOM 213 CG ASP A 15 17.600 9.490 7.258 1.00 0.00 C ATOM 214 OD1 ASP A 15 17.298 10.515 7.903 1.00 0.00 O ATOM 215 OD2 ASP A 15 18.686 8.888 7.399 1.00 0.00 O ATOM 0 H ASP A 15 15.925 8.345 3.412 1.00 0.00 H new ATOM 0 HA ASP A 15 16.638 10.682 4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.589 9.106 6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.737 7.870 6.158 1.00 0.00 H new ATOM 220 N ILE A 16 18.519 10.126 3.345 1.00 0.00 N ATOM 221 CA ILE A 16 19.796 9.950 2.685 1.00 0.00 C ATOM 222 C ILE A 16 20.114 11.125 1.777 1.00 0.00 C ATOM 223 O ILE A 16 19.660 11.180 0.635 1.00 0.00 O ATOM 224 CB ILE A 16 19.811 8.658 1.853 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.033 8.614 0.933 1.00 0.00 C ATOM 226 CG2 ILE A 16 18.527 8.524 1.050 1.00 0.00 C ATOM 227 CD1 ILE A 16 21.186 7.307 0.185 1.00 0.00 C ATOM 0 H ILE A 16 17.987 10.934 3.021 1.00 0.00 H new ATOM 0 HA ILE A 16 20.553 9.888 3.466 1.00 0.00 H new ATOM 0 HB ILE A 16 19.876 7.813 2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 16 20.963 9.429 0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 16 21.930 8.790 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.557 7.603 0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 16 17.675 8.497 1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 16 18.428 9.376 0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.073 7.351 -0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.288 6.489 0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 16 20.307 7.138 -0.437 1.00 0.00 H new ATOM 239 N THR A 17 20.873 12.080 2.292 1.00 0.00 N ATOM 240 CA THR A 17 21.263 13.224 1.490 1.00 0.00 C ATOM 241 C THR A 17 21.976 12.733 0.245 1.00 0.00 C ATOM 242 O THR A 17 23.031 12.103 0.332 1.00 0.00 O ATOM 243 CB THR A 17 22.188 14.184 2.256 1.00 0.00 C ATOM 244 OG1 THR A 17 23.224 13.446 2.916 1.00 0.00 O ATOM 245 CG2 THR A 17 21.404 14.996 3.275 1.00 0.00 C ATOM 0 H THR A 17 21.226 12.085 3.249 1.00 0.00 H new ATOM 0 HA THR A 17 20.358 13.774 1.231 1.00 0.00 H new ATOM 0 HB THR A 17 22.636 14.871 1.538 1.00 0.00 H new ATOM 0 HG1 THR A 17 23.546 12.734 2.324 1.00 0.00 H new ATOM 0 HG21 THR A 17 22.081 15.667 3.804 1.00 0.00 H new ATOM 0 HG22 THR A 17 20.639 15.580 2.764 1.00 0.00 H new ATOM 0 HG23 THR A 17 20.929 14.323 3.989 1.00 0.00 H new ATOM 253 N LEU A 18 21.398 13.014 -0.912 1.00 0.00 N ATOM 254 CA LEU A 18 21.972 12.572 -2.165 1.00 0.00 C ATOM 255 C LEU A 18 23.173 13.422 -2.556 1.00 0.00 C ATOM 256 O LEU A 18 23.471 13.597 -3.738 1.00 0.00 O ATOM 257 CB LEU A 18 20.916 12.604 -3.269 1.00 0.00 C ATOM 258 CG LEU A 18 20.161 11.289 -3.477 1.00 0.00 C ATOM 259 CD1 LEU A 18 21.135 10.160 -3.781 1.00 0.00 C ATOM 260 CD2 LEU A 18 19.324 10.954 -2.252 1.00 0.00 C ATOM 0 H LEU A 18 20.533 13.546 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 18 22.318 11.547 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.194 13.388 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.399 12.881 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 18 19.491 11.407 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.582 9.232 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.693 10.395 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 18 21.828 10.043 -2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 18 18.795 10.016 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 18 19.974 10.854 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.602 11.752 -2.075 1.00 0.00 H new ATOM 272 N THR A 19 23.864 13.935 -1.551 1.00 0.00 N ATOM 273 CA THR A 19 25.038 14.765 -1.770 1.00 0.00 C ATOM 274 C THR A 19 26.252 13.896 -2.068 1.00 0.00 C ATOM 275 O THR A 19 27.197 14.330 -2.726 1.00 0.00 O ATOM 276 CB THR A 19 25.326 15.649 -0.544 1.00 0.00 C ATOM 277 OG1 THR A 19 25.821 14.848 0.537 1.00 0.00 O ATOM 278 CG2 THR A 19 24.062 16.373 -0.104 1.00 0.00 C ATOM 0 H THR A 19 23.630 13.790 -0.569 1.00 0.00 H new ATOM 0 HA THR A 19 24.836 15.410 -2.625 1.00 0.00 H new ATOM 0 HB THR A 19 26.080 16.386 -0.820 1.00 0.00 H new ATOM 0 HG1 THR A 19 26.003 15.420 1.312 1.00 0.00 H new ATOM 0 HG21 THR A 19 24.282 16.994 0.764 1.00 0.00 H new ATOM 0 HG22 THR A 19 23.701 17.002 -0.918 1.00 0.00 H new ATOM 0 HG23 THR A 19 23.296 15.642 0.157 1.00 0.00 H new ATOM 286 N GLU A 20 26.211 12.663 -1.572 1.00 0.00 N ATOM 287 CA GLU A 20 27.289 11.707 -1.786 1.00 0.00 C ATOM 288 C GLU A 20 26.926 10.756 -2.921 1.00 0.00 C ATOM 289 O GLU A 20 25.940 10.971 -3.626 1.00 0.00 O ATOM 290 CB GLU A 20 27.562 10.920 -0.502 1.00 0.00 C ATOM 291 CG GLU A 20 27.943 11.796 0.681 1.00 0.00 C ATOM 292 CD GLU A 20 29.203 12.602 0.429 1.00 0.00 C ATOM 293 OE1 GLU A 20 29.093 13.717 -0.123 1.00 0.00 O ATOM 294 OE2 GLU A 20 30.298 12.119 0.786 1.00 0.00 O ATOM 0 H GLU A 20 25.436 12.302 -1.015 1.00 0.00 H new ATOM 0 HA GLU A 20 28.193 12.251 -2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 20 26.674 10.342 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.364 10.206 -0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 20 27.120 12.475 0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 20 28.087 11.169 1.561 1.00 0.00 H new ATOM 301 N THR A 21 27.719 9.706 -3.100 1.00 0.00 N ATOM 302 CA THR A 21 27.457 8.738 -4.159 1.00 0.00 C ATOM 303 C THR A 21 27.862 7.328 -3.743 1.00 0.00 C ATOM 304 O THR A 21 27.492 6.351 -4.395 1.00 0.00 O ATOM 305 CB THR A 21 28.205 9.108 -5.452 1.00 0.00 C ATOM 306 OG1 THR A 21 28.344 10.530 -5.550 1.00 0.00 O ATOM 307 CG2 THR A 21 27.461 8.587 -6.672 1.00 0.00 C ATOM 0 H THR A 21 28.541 9.504 -2.532 1.00 0.00 H new ATOM 0 HA THR A 21 26.383 8.762 -4.342 1.00 0.00 H new ATOM 0 HB THR A 21 29.192 8.647 -5.418 1.00 0.00 H new ATOM 0 HG1 THR A 21 28.822 10.756 -6.375 1.00 0.00 H new ATOM 0 HG21 THR A 21 28.007 8.860 -7.575 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.378 7.502 -6.612 1.00 0.00 H new ATOM 0 HG23 THR A 21 26.464 9.026 -6.705 1.00 0.00 H new ATOM 315 N ARG A 22 28.623 7.226 -2.658 1.00 0.00 N ATOM 316 CA ARG A 22 29.080 5.931 -2.165 1.00 0.00 C ATOM 317 C ARG A 22 28.658 5.730 -0.712 1.00 0.00 C ATOM 318 O ARG A 22 28.548 6.691 0.050 1.00 0.00 O ATOM 319 CB ARG A 22 30.594 5.820 -2.281 1.00 0.00 C ATOM 320 CG ARG A 22 31.106 5.929 -3.709 1.00 0.00 C ATOM 321 CD ARG A 22 32.616 5.775 -3.773 1.00 0.00 C ATOM 322 NE ARG A 22 33.309 6.858 -3.084 1.00 0.00 N ATOM 323 CZ ARG A 22 34.597 6.819 -2.757 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.324 5.746 -3.037 1.00 0.00 N ATOM 325 NH2 ARG A 22 35.159 7.851 -2.146 1.00 0.00 N ATOM 0 H ARG A 22 28.936 8.023 -2.104 1.00 0.00 H new ATOM 0 HA ARG A 22 28.620 5.155 -2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.054 6.603 -1.678 1.00 0.00 H new ATOM 0 HB3 ARG A 22 30.913 4.866 -1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.635 5.163 -4.325 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.820 6.894 -4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.902 4.822 -3.328 1.00 0.00 H new ATOM 0 HD3 ARG A 22 32.933 5.748 -4.816 1.00 0.00 H new ATOM 0 HE ARG A 22 32.775 7.692 -2.839 1.00 0.00 H new ATOM 0 HH11 ARG A 22 34.895 4.947 -3.505 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.312 5.719 -2.785 1.00 0.00 H new ATOM 0 HH21 ARG A 22 34.603 8.678 -1.926 1.00 0.00 H new ATOM 0 HH22 ARG A 22 36.147 7.819 -1.896 1.00 0.00 H new ATOM 339 N PHE A 23 28.423 4.476 -0.334 1.00 0.00 N ATOM 340 CA PHE A 23 28.004 4.130 1.023 1.00 0.00 C ATOM 341 C PHE A 23 28.613 2.792 1.429 1.00 0.00 C ATOM 342 O PHE A 23 28.101 1.732 1.065 1.00 0.00 O ATOM 343 CB PHE A 23 26.474 4.068 1.098 1.00 0.00 C ATOM 344 CG PHE A 23 25.802 5.309 0.574 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.685 5.521 -0.791 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.304 6.269 1.440 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.089 6.665 -1.282 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.701 7.416 0.954 1.00 0.00 C ATOM 349 CZ PHE A 23 24.595 7.614 -0.408 1.00 0.00 C ATOM 0 H PHE A 23 28.517 3.673 -0.956 1.00 0.00 H new ATOM 0 HA PHE A 23 28.355 4.897 1.713 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.124 3.206 0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.174 3.910 2.134 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.065 4.781 -1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.387 6.121 2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.009 6.818 -2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.314 8.155 1.640 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.127 8.509 -0.790 1.00 0.00 H new ATOM 359 N LYS A 24 29.727 2.858 2.161 1.00 0.00 N ATOM 360 CA LYS A 24 30.435 1.663 2.626 1.00 0.00 C ATOM 361 C LYS A 24 29.471 0.593 3.102 1.00 0.00 C ATOM 362 O LYS A 24 28.299 0.860 3.358 1.00 0.00 O ATOM 363 CB LYS A 24 31.379 2.015 3.774 1.00 0.00 C ATOM 364 CG LYS A 24 30.839 3.090 4.705 1.00 0.00 C ATOM 365 CD LYS A 24 31.687 3.221 5.959 1.00 0.00 C ATOM 366 CE LYS A 24 31.138 4.289 6.892 1.00 0.00 C ATOM 367 NZ LYS A 24 31.859 4.313 8.194 1.00 0.00 N ATOM 0 H LYS A 24 30.162 3.735 2.447 1.00 0.00 H new ATOM 0 HA LYS A 24 31.002 1.277 1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 24 31.583 1.115 4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.330 2.350 3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.812 4.046 4.182 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.813 2.850 4.983 1.00 0.00 H new ATOM 0 HD2 LYS A 24 31.720 2.264 6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 24 32.712 3.469 5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 24 31.219 5.265 6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 24 30.078 4.107 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 31.455 5.054 8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 31.760 3.390 8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 32.866 4.512 8.029 1.00 0.00 H new ATOM 381 N THR A 25 29.983 -0.623 3.240 1.00 0.00 N ATOM 382 CA THR A 25 29.175 -1.713 3.731 1.00 0.00 C ATOM 383 C THR A 25 28.710 -1.371 5.135 1.00 0.00 C ATOM 384 O THR A 25 29.239 -0.447 5.755 1.00 0.00 O ATOM 385 CB THR A 25 29.951 -3.042 3.754 1.00 0.00 C ATOM 386 OG1 THR A 25 31.288 -2.825 4.220 1.00 0.00 O ATOM 387 CG2 THR A 25 29.987 -3.691 2.373 1.00 0.00 C ATOM 0 H THR A 25 30.947 -0.871 3.019 1.00 0.00 H new ATOM 0 HA THR A 25 28.326 -1.844 3.060 1.00 0.00 H new ATOM 0 HB THR A 25 29.433 -3.717 4.435 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.772 -3.677 4.232 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.543 -4.627 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 25 28.969 -3.891 2.038 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.475 -3.018 1.668 1.00 0.00 H new ATOM 395 N GLY A 26 27.737 -2.100 5.649 1.00 0.00 N ATOM 396 CA GLY A 26 27.243 -1.816 6.978 1.00 0.00 C ATOM 397 C GLY A 26 26.369 -0.575 7.018 1.00 0.00 C ATOM 398 O GLY A 26 25.544 -0.427 7.919 1.00 0.00 O ATOM 0 H GLY A 26 27.281 -2.879 5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 26 26.672 -2.671 7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 26 28.086 -1.685 7.656 1.00 0.00 H new ATOM 402 N THR A 27 26.543 0.325 6.043 1.00 0.00 N ATOM 403 CA THR A 27 25.757 1.551 5.974 1.00 0.00 C ATOM 404 C THR A 27 24.275 1.203 5.885 1.00 0.00 C ATOM 405 O THR A 27 23.926 0.115 5.438 1.00 0.00 O ATOM 406 CB THR A 27 26.162 2.403 4.754 1.00 0.00 C ATOM 407 OG1 THR A 27 25.911 3.789 5.019 1.00 0.00 O ATOM 408 CG2 THR A 27 25.403 1.981 3.503 1.00 0.00 C ATOM 0 H THR A 27 27.225 0.222 5.291 1.00 0.00 H new ATOM 0 HA THR A 27 25.948 2.132 6.876 1.00 0.00 H new ATOM 0 HB THR A 27 27.226 2.247 4.578 1.00 0.00 H new ATOM 0 HG1 THR A 27 26.315 4.335 4.313 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.713 2.602 2.663 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.620 0.936 3.281 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.333 2.102 3.669 1.00 0.00 H new ATOM 416 N THR A 28 23.402 2.111 6.300 1.00 0.00 N ATOM 417 CA THR A 28 21.973 1.825 6.249 1.00 0.00 C ATOM 418 C THR A 28 21.132 3.078 6.039 1.00 0.00 C ATOM 419 O THR A 28 21.230 4.044 6.798 1.00 0.00 O ATOM 420 CB THR A 28 21.505 1.110 7.531 1.00 0.00 C ATOM 421 OG1 THR A 28 22.161 -0.157 7.652 1.00 0.00 O ATOM 422 CG2 THR A 28 19.995 0.907 7.526 1.00 0.00 C ATOM 0 H THR A 28 23.648 3.030 6.667 1.00 0.00 H new ATOM 0 HA THR A 28 21.827 1.171 5.389 1.00 0.00 H new ATOM 0 HB THR A 28 21.765 1.738 8.383 1.00 0.00 H new ATOM 0 HG1 THR A 28 21.859 -0.605 8.470 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.693 0.400 8.443 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.498 1.875 7.466 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.712 0.300 6.666 1.00 0.00 H new ATOM 430 N LEU A 29 20.304 3.049 4.998 1.00 0.00 N ATOM 431 CA LEU A 29 19.433 4.174 4.679 1.00 0.00 C ATOM 432 C LEU A 29 18.040 3.931 5.254 1.00 0.00 C ATOM 433 O LEU A 29 17.882 3.173 6.211 1.00 0.00 O ATOM 434 CB LEU A 29 19.338 4.393 3.160 1.00 0.00 C ATOM 435 CG LEU A 29 20.224 3.493 2.292 1.00 0.00 C ATOM 436 CD1 LEU A 29 19.933 3.727 0.817 1.00 0.00 C ATOM 437 CD2 LEU A 29 21.694 3.742 2.584 1.00 0.00 C ATOM 0 H LEU A 29 20.219 2.257 4.361 1.00 0.00 H new ATOM 0 HA LEU A 29 19.862 5.071 5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.301 4.249 2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 29 19.591 5.432 2.947 1.00 0.00 H new ATOM 0 HG LEU A 29 19.997 2.455 2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 29 20.570 3.081 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 29 18.887 3.499 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.133 4.769 0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.305 3.093 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 29 21.936 4.783 2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 29 21.898 3.529 3.633 1.00 0.00 H new ATOM 449 N LYS A 30 17.032 4.573 4.670 1.00 0.00 N ATOM 450 CA LYS A 30 15.657 4.405 5.131 1.00 0.00 C ATOM 451 C LYS A 30 14.766 3.893 4.005 1.00 0.00 C ATOM 452 O LYS A 30 14.484 2.698 3.923 1.00 0.00 O ATOM 453 CB LYS A 30 15.106 5.723 5.679 1.00 0.00 C ATOM 454 CG LYS A 30 13.739 5.583 6.328 1.00 0.00 C ATOM 455 CD LYS A 30 13.446 6.740 7.269 1.00 0.00 C ATOM 456 CE LYS A 30 14.266 6.639 8.546 1.00 0.00 C ATOM 457 NZ LYS A 30 13.849 5.482 9.384 1.00 0.00 N ATOM 0 H LYS A 30 17.140 5.211 3.881 1.00 0.00 H new ATOM 0 HA LYS A 30 15.660 3.667 5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 30 15.807 6.125 6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.042 6.447 4.867 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.972 5.538 5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.692 4.644 6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.665 7.683 6.768 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.384 6.750 7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.322 6.542 8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.159 7.560 9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.198 5.613 10.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.811 5.417 9.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.246 4.606 8.989 1.00 0.00 H new ATOM 471 N TYR A 31 14.331 4.804 3.137 1.00 0.00 N ATOM 472 CA TYR A 31 13.472 4.448 2.011 1.00 0.00 C ATOM 473 C TYR A 31 12.113 3.930 2.486 1.00 0.00 C ATOM 474 O TYR A 31 12.023 3.185 3.462 1.00 0.00 O ATOM 475 CB TYR A 31 14.157 3.409 1.117 1.00 0.00 C ATOM 476 CG TYR A 31 15.020 4.012 0.032 1.00 0.00 C ATOM 477 CD1 TYR A 31 16.150 4.757 0.349 1.00 0.00 C ATOM 478 CD2 TYR A 31 14.705 3.836 -1.310 1.00 0.00 C ATOM 479 CE1 TYR A 31 16.941 5.309 -0.642 1.00 0.00 C ATOM 480 CE2 TYR A 31 15.492 4.385 -2.305 1.00 0.00 C ATOM 481 CZ TYR A 31 16.607 5.119 -1.965 1.00 0.00 C ATOM 482 OH TYR A 31 17.392 5.667 -2.954 1.00 0.00 O ATOM 0 H TYR A 31 14.560 5.796 3.193 1.00 0.00 H new ATOM 0 HA TYR A 31 13.300 5.353 1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.772 2.758 1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 31 13.395 2.781 0.655 1.00 0.00 H new ATOM 0 HD1 TYR A 31 16.414 4.907 1.385 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.831 3.261 -1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 31 17.816 5.886 -0.380 1.00 0.00 H new ATOM 0 HE2 TYR A 31 15.234 4.239 -3.344 1.00 0.00 H new ATOM 0 HH TYR A 31 17.319 5.125 -3.767 1.00 0.00 H new ATOM 492 N THR A 32 11.059 4.336 1.785 1.00 0.00 N ATOM 493 CA THR A 32 9.702 3.920 2.135 1.00 0.00 C ATOM 494 C THR A 32 8.932 3.394 0.922 1.00 0.00 C ATOM 495 O THR A 32 8.958 3.993 -0.152 1.00 0.00 O ATOM 496 CB THR A 32 8.914 5.078 2.773 1.00 0.00 C ATOM 497 OG1 THR A 32 7.506 4.837 2.659 1.00 0.00 O ATOM 498 CG2 THR A 32 9.268 6.404 2.114 1.00 0.00 C ATOM 0 H THR A 32 11.116 4.951 0.973 1.00 0.00 H new ATOM 0 HA THR A 32 9.804 3.110 2.857 1.00 0.00 H new ATOM 0 HB THR A 32 9.185 5.134 3.827 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.013 5.578 3.069 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.698 7.207 2.582 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.334 6.597 2.235 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.026 6.359 1.052 1.00 0.00 H new ATOM 506 N CYS A 33 8.240 2.271 1.115 1.00 0.00 N ATOM 507 CA CYS A 33 7.457 1.641 0.051 1.00 0.00 C ATOM 508 C CYS A 33 6.245 2.496 -0.327 1.00 0.00 C ATOM 509 O CYS A 33 5.450 2.907 0.519 1.00 0.00 O ATOM 510 CB CYS A 33 6.986 0.252 0.502 1.00 0.00 C ATOM 511 SG CYS A 33 8.323 -0.835 1.105 1.00 0.00 S ATOM 0 H CYS A 33 8.206 1.775 2.006 1.00 0.00 H new ATOM 0 HA CYS A 33 8.096 1.546 -0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.246 0.371 1.293 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.484 -0.237 -0.333 1.00 0.00 H new ATOM 516 N LEU A 34 6.145 2.744 -1.637 1.00 0.00 N ATOM 517 CA LEU A 34 5.091 3.567 -2.231 1.00 0.00 C ATOM 518 C LEU A 34 3.698 3.202 -1.725 1.00 0.00 C ATOM 519 O LEU A 34 3.487 2.124 -1.171 1.00 0.00 O ATOM 520 CB LEU A 34 5.139 3.435 -3.757 1.00 0.00 C ATOM 521 CG LEU A 34 6.431 3.932 -4.411 1.00 0.00 C ATOM 522 CD1 LEU A 34 6.416 3.644 -5.904 1.00 0.00 C ATOM 523 CD2 LEU A 34 6.621 5.421 -4.156 1.00 0.00 C ATOM 0 H LEU A 34 6.803 2.373 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 34 5.278 4.598 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.997 2.387 -4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.300 3.987 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 34 7.270 3.398 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.342 4.004 -6.353 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.327 2.570 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.568 4.152 -6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.544 5.756 -4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.779 5.972 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.676 5.602 -3.083 1.00 0.00 H new ATOM 535 N PRO A 35 2.721 4.114 -1.919 1.00 0.00 N ATOM 536 CA PRO A 35 1.336 3.897 -1.492 1.00 0.00 C ATOM 537 C PRO A 35 0.685 2.720 -2.206 1.00 0.00 C ATOM 538 O PRO A 35 0.304 2.814 -3.373 1.00 0.00 O ATOM 539 CB PRO A 35 0.628 5.206 -1.860 1.00 0.00 C ATOM 540 CG PRO A 35 1.488 5.827 -2.904 1.00 0.00 C ATOM 541 CD PRO A 35 2.894 5.432 -2.560 1.00 0.00 C ATOM 0 HA PRO A 35 1.277 3.654 -0.431 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.378 5.019 -2.237 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.527 5.858 -0.992 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.214 5.473 -3.898 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.376 6.911 -2.909 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.524 5.370 -3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.362 6.150 -1.886 1.00 0.00 H new ATOM 549 N GLY A 36 0.573 1.611 -1.492 1.00 0.00 N ATOM 550 CA GLY A 36 -0.038 0.425 -2.059 1.00 0.00 C ATOM 551 C GLY A 36 0.587 -0.845 -1.523 1.00 0.00 C ATOM 552 O GLY A 36 0.070 -1.943 -1.730 1.00 0.00 O ATOM 0 H GLY A 36 0.894 1.510 -0.529 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.105 0.426 -1.837 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.062 0.449 -3.144 1.00 0.00 H new ATOM 556 N TYR A 37 1.703 -0.682 -0.826 1.00 0.00 N ATOM 557 CA TYR A 37 2.399 -1.801 -0.218 1.00 0.00 C ATOM 558 C TYR A 37 1.844 -2.022 1.179 1.00 0.00 C ATOM 559 O TYR A 37 1.618 -1.058 1.911 1.00 0.00 O ATOM 560 CB TYR A 37 3.902 -1.517 -0.134 1.00 0.00 C ATOM 561 CG TYR A 37 4.632 -1.579 -1.459 1.00 0.00 C ATOM 562 CD1 TYR A 37 5.121 -2.784 -1.946 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.847 -0.431 -2.216 1.00 0.00 C ATOM 564 CE1 TYR A 37 5.799 -2.847 -3.147 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.525 -0.487 -3.419 1.00 0.00 C ATOM 566 CZ TYR A 37 5.999 -1.697 -3.879 1.00 0.00 C ATOM 567 OH TYR A 37 6.669 -1.758 -5.080 1.00 0.00 O ATOM 0 H TYR A 37 2.146 0.223 -0.668 1.00 0.00 H new ATOM 0 HA TYR A 37 2.249 -2.692 -0.828 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.047 -0.528 0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.356 -2.234 0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.968 -3.688 -1.375 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.478 0.519 -1.858 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.171 -3.793 -3.511 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.683 0.412 -3.996 1.00 0.00 H new ATOM 0 HH TYR A 37 6.614 -0.889 -5.530 1.00 0.00 H new ATOM 577 N VAL A 38 1.620 -3.273 1.563 1.00 0.00 N ATOM 578 CA VAL A 38 1.088 -3.619 2.869 1.00 0.00 C ATOM 579 C VAL A 38 1.882 -4.793 3.432 1.00 0.00 C ATOM 580 O VAL A 38 2.972 -5.099 2.953 1.00 0.00 O ATOM 581 CB VAL A 38 -0.409 -3.999 2.773 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.178 -2.959 1.971 1.00 0.00 C ATOM 583 CG2 VAL A 38 -0.580 -5.378 2.151 1.00 0.00 C ATOM 0 H VAL A 38 1.805 -4.081 0.969 1.00 0.00 H new ATOM 0 HA VAL A 38 1.177 -2.755 3.528 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.814 -4.026 3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.228 -3.246 1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.092 -1.988 2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.765 -2.898 0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.641 -5.623 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.153 -5.380 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.069 -6.120 2.765 1.00 0.00 H new ATOM 593 N ARG A 39 1.311 -5.428 4.454 1.00 0.00 N ATOM 594 CA ARG A 39 1.903 -6.590 5.122 1.00 0.00 C ATOM 595 C ARG A 39 3.388 -6.788 4.802 1.00 0.00 C ATOM 596 O ARG A 39 4.198 -5.885 5.018 1.00 0.00 O ATOM 597 CB ARG A 39 1.103 -7.847 4.771 1.00 0.00 C ATOM 598 CG ARG A 39 -0.348 -7.784 5.226 1.00 0.00 C ATOM 599 CD ARG A 39 -1.089 -9.075 4.924 1.00 0.00 C ATOM 600 NE ARG A 39 -0.549 -10.206 5.671 1.00 0.00 N ATOM 601 CZ ARG A 39 -0.934 -11.464 5.482 1.00 0.00 C ATOM 602 NH1 ARG A 39 -1.855 -11.750 4.571 1.00 0.00 N ATOM 603 NH2 ARG A 39 -0.398 -12.439 6.203 1.00 0.00 N ATOM 0 H ARG A 39 0.413 -5.148 4.848 1.00 0.00 H new ATOM 0 HA ARG A 39 1.852 -6.401 6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.132 -7.998 3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.582 -8.713 5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.385 -7.585 6.297 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.849 -6.953 4.730 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.144 -8.952 5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.030 -9.285 3.856 1.00 0.00 H new ATOM 0 HE ARG A 39 0.163 -10.021 6.377 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.270 -11.003 4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.148 -12.716 4.428 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.311 -12.224 6.904 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.695 -13.404 6.057 1.00 0.00 H new ATOM 617 N SER A 40 3.731 -7.974 4.284 1.00 0.00 N ATOM 618 CA SER A 40 5.115 -8.318 3.958 1.00 0.00 C ATOM 619 C SER A 40 6.080 -7.690 4.951 1.00 0.00 C ATOM 620 O SER A 40 6.697 -6.662 4.666 1.00 0.00 O ATOM 621 CB SER A 40 5.459 -7.881 2.538 1.00 0.00 C ATOM 622 OG SER A 40 6.851 -7.988 2.294 1.00 0.00 O ATOM 0 H SER A 40 3.060 -8.715 4.081 1.00 0.00 H new ATOM 0 HA SER A 40 5.214 -9.402 4.022 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.913 -8.496 1.823 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.138 -6.851 2.383 1.00 0.00 H new ATOM 0 HG SER A 40 7.027 -7.859 1.339 1.00 0.00 H new ATOM 628 N HIS A 41 6.203 -8.310 6.120 1.00 0.00 N ATOM 629 CA HIS A 41 7.081 -7.797 7.160 1.00 0.00 C ATOM 630 C HIS A 41 6.712 -6.348 7.475 1.00 0.00 C ATOM 631 O HIS A 41 5.570 -6.065 7.839 1.00 0.00 O ATOM 632 CB HIS A 41 8.545 -7.903 6.722 1.00 0.00 C ATOM 633 CG HIS A 41 8.954 -9.289 6.327 1.00 0.00 C ATOM 634 ND1 HIS A 41 9.581 -10.165 7.188 1.00 0.00 N ATOM 635 CD2 HIS A 41 8.823 -9.950 5.152 1.00 0.00 C ATOM 636 CE1 HIS A 41 9.818 -11.303 6.560 1.00 0.00 C ATOM 637 NE2 HIS A 41 9.367 -11.198 5.324 1.00 0.00 N ATOM 0 H HIS A 41 5.707 -9.166 6.368 1.00 0.00 H new ATOM 0 HA HIS A 41 6.955 -8.395 8.063 1.00 0.00 H new ATOM 0 HB2 HIS A 41 8.714 -7.230 5.881 1.00 0.00 H new ATOM 0 HB3 HIS A 41 9.185 -7.563 7.536 1.00 0.00 H new ATOM 0 HD2 HIS A 41 8.374 -9.566 4.248 1.00 0.00 H new ATOM 0 HE1 HIS A 41 10.299 -12.171 6.986 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.415 -11.927 4.612 1.00 0.00 H new ATOM 646 N SER A 42 7.672 -5.438 7.318 1.00 0.00 N ATOM 647 CA SER A 42 7.444 -4.019 7.578 1.00 0.00 C ATOM 648 C SER A 42 8.761 -3.256 7.555 1.00 0.00 C ATOM 649 O SER A 42 8.784 -2.027 7.614 1.00 0.00 O ATOM 650 CB SER A 42 6.753 -3.823 8.927 1.00 0.00 C ATOM 651 OG SER A 42 6.585 -2.447 9.222 1.00 0.00 O ATOM 0 H SER A 42 8.619 -5.660 7.011 1.00 0.00 H new ATOM 0 HA SER A 42 6.796 -3.630 6.793 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.781 -4.316 8.916 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.342 -4.297 9.712 1.00 0.00 H new ATOM 0 HG SER A 42 7.194 -1.917 8.667 1.00 0.00 H new ATOM 657 N THR A 43 9.858 -4.000 7.470 1.00 0.00 N ATOM 658 CA THR A 43 11.191 -3.408 7.439 1.00 0.00 C ATOM 659 C THR A 43 11.413 -2.631 6.145 1.00 0.00 C ATOM 660 O THR A 43 10.632 -2.745 5.202 1.00 0.00 O ATOM 661 CB THR A 43 12.284 -4.485 7.567 1.00 0.00 C ATOM 662 OG1 THR A 43 11.845 -5.527 8.446 1.00 0.00 O ATOM 663 CG2 THR A 43 13.576 -3.885 8.103 1.00 0.00 C ATOM 0 H THR A 43 9.850 -5.019 7.421 1.00 0.00 H new ATOM 0 HA THR A 43 11.258 -2.728 8.288 1.00 0.00 H new ATOM 0 HB THR A 43 12.472 -4.896 6.575 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.545 -6.209 8.521 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.333 -4.665 8.185 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.927 -3.109 7.423 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.395 -3.451 9.086 1.00 0.00 H new ATOM 671 N GLN A 44 12.484 -1.843 6.111 1.00 0.00 N ATOM 672 CA GLN A 44 12.818 -1.047 4.933 1.00 0.00 C ATOM 673 C GLN A 44 14.151 -0.330 5.123 1.00 0.00 C ATOM 674 O GLN A 44 14.199 0.790 5.631 1.00 0.00 O ATOM 675 CB GLN A 44 11.708 -0.034 4.637 1.00 0.00 C ATOM 676 CG GLN A 44 11.170 0.666 5.875 1.00 0.00 C ATOM 677 CD GLN A 44 9.945 1.509 5.584 1.00 0.00 C ATOM 678 OE1 GLN A 44 10.051 2.697 5.279 1.00 0.00 O ATOM 679 NE2 GLN A 44 8.771 0.894 5.676 1.00 0.00 N ATOM 0 H GLN A 44 13.137 -1.738 6.888 1.00 0.00 H new ATOM 0 HA GLN A 44 12.910 -1.723 4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.089 0.716 3.944 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.887 -0.545 4.134 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.922 -0.080 6.630 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.950 1.300 6.297 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.731 -0.093 5.932 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.910 1.408 5.491 1.00 0.00 H new ATOM 688 N THR A 45 15.233 -0.990 4.713 1.00 0.00 N ATOM 689 CA THR A 45 16.573 -0.427 4.840 1.00 0.00 C ATOM 690 C THR A 45 17.503 -0.981 3.765 1.00 0.00 C ATOM 691 O THR A 45 17.380 -2.135 3.361 1.00 0.00 O ATOM 692 CB THR A 45 17.187 -0.724 6.223 1.00 0.00 C ATOM 693 OG1 THR A 45 17.208 -2.138 6.454 1.00 0.00 O ATOM 694 CG2 THR A 45 16.407 -0.036 7.332 1.00 0.00 C ATOM 0 H THR A 45 15.206 -1.917 4.289 1.00 0.00 H new ATOM 0 HA THR A 45 16.471 0.651 4.720 1.00 0.00 H new ATOM 0 HB THR A 45 18.206 -0.336 6.230 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.601 -2.320 7.333 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.865 -0.265 8.295 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.420 1.042 7.171 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.377 -0.391 7.327 1.00 0.00 H new ATOM 702 N LEU A 46 18.434 -0.149 3.309 1.00 0.00 N ATOM 703 CA LEU A 46 19.391 -0.552 2.283 1.00 0.00 C ATOM 704 C LEU A 46 20.806 -0.522 2.852 1.00 0.00 C ATOM 705 O LEU A 46 21.353 0.545 3.130 1.00 0.00 O ATOM 706 CB LEU A 46 19.291 0.358 1.055 1.00 0.00 C ATOM 707 CG LEU A 46 18.408 -0.173 -0.078 1.00 0.00 C ATOM 708 CD1 LEU A 46 16.995 -0.441 0.422 1.00 0.00 C ATOM 709 CD2 LEU A 46 18.389 0.803 -1.247 1.00 0.00 C ATOM 0 H LEU A 46 18.547 0.811 3.635 1.00 0.00 H new ATOM 0 HA LEU A 46 19.155 -1.569 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.906 1.327 1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 46 20.295 0.526 0.664 1.00 0.00 H new ATOM 0 HG LEU A 46 18.830 -1.115 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.384 -0.818 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 46 17.026 -1.182 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.562 0.484 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.756 0.407 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.995 1.763 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.403 0.939 -1.624 1.00 0.00 H new ATOM 721 N THR A 47 21.391 -1.706 3.020 1.00 0.00 N ATOM 722 CA THR A 47 22.743 -1.830 3.556 1.00 0.00 C ATOM 723 C THR A 47 23.690 -2.372 2.501 1.00 0.00 C ATOM 724 O THR A 47 23.322 -3.259 1.729 1.00 0.00 O ATOM 725 CB THR A 47 22.787 -2.779 4.770 1.00 0.00 C ATOM 726 OG1 THR A 47 21.793 -2.399 5.731 1.00 0.00 O ATOM 727 CG2 THR A 47 24.161 -2.765 5.424 1.00 0.00 C ATOM 0 H THR A 47 20.947 -2.596 2.792 1.00 0.00 H new ATOM 0 HA THR A 47 23.051 -0.831 3.865 1.00 0.00 H new ATOM 0 HB THR A 47 22.581 -3.789 4.415 1.00 0.00 H new ATOM 0 HG1 THR A 47 22.121 -1.642 6.259 1.00 0.00 H new ATOM 0 HG21 THR A 47 24.165 -3.443 6.278 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.911 -3.087 4.702 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.393 -1.755 5.762 1.00 0.00 H new ATOM 735 N CYS A 48 24.909 -1.847 2.461 1.00 0.00 N ATOM 736 CA CYS A 48 25.882 -2.330 1.503 1.00 0.00 C ATOM 737 C CYS A 48 26.430 -3.648 2.022 1.00 0.00 C ATOM 738 O CYS A 48 27.011 -3.720 3.105 1.00 0.00 O ATOM 739 CB CYS A 48 26.999 -1.309 1.280 1.00 0.00 C ATOM 740 SG CYS A 48 28.228 -1.819 0.036 1.00 0.00 S ATOM 0 H CYS A 48 25.239 -1.100 3.072 1.00 0.00 H new ATOM 0 HA CYS A 48 25.408 -2.481 0.533 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.556 -0.362 0.972 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.508 -1.129 2.227 1.00 0.00 H new ATOM 745 N ASN A 49 26.223 -4.688 1.233 1.00 0.00 N ATOM 746 CA ASN A 49 26.724 -6.007 1.571 1.00 0.00 C ATOM 747 C ASN A 49 28.020 -6.266 0.811 1.00 0.00 C ATOM 748 O ASN A 49 28.460 -5.424 0.029 1.00 0.00 O ATOM 749 CB ASN A 49 25.678 -7.069 1.227 1.00 0.00 C ATOM 750 CG ASN A 49 25.005 -6.791 -0.099 1.00 0.00 C ATOM 751 OD1 ASN A 49 24.048 -5.875 -0.090 1.00 0.00 O flip ATOM 752 ND2 ASN A 49 25.348 -7.381 -1.120 1.00 0.00 N flip ATOM 0 H ASN A 49 25.710 -4.643 0.352 1.00 0.00 H new ATOM 0 HA ASN A 49 26.924 -6.057 2.641 1.00 0.00 H new ATOM 0 HB2 ASN A 49 26.154 -8.049 1.194 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.926 -7.106 2.015 1.00 0.00 H new ATOM 0 HD21 ASN A 49 26.090 -8.079 -1.080 1.00 0.00 H new ATOM 0 HD22 ASN A 49 24.891 -7.173 -2.008 1.00 0.00 H new ATOM 759 N SER A 50 28.633 -7.421 1.037 1.00 0.00 N ATOM 760 CA SER A 50 29.872 -7.759 0.345 1.00 0.00 C ATOM 761 C SER A 50 29.536 -8.365 -1.013 1.00 0.00 C ATOM 762 O SER A 50 29.823 -9.529 -1.296 1.00 0.00 O ATOM 763 CB SER A 50 30.706 -8.728 1.184 1.00 0.00 C ATOM 764 OG SER A 50 31.879 -9.123 0.495 1.00 0.00 O ATOM 0 H SER A 50 28.298 -8.133 1.686 1.00 0.00 H new ATOM 0 HA SER A 50 30.464 -6.856 0.196 1.00 0.00 H new ATOM 0 HB2 SER A 50 30.977 -8.255 2.128 1.00 0.00 H new ATOM 0 HB3 SER A 50 30.110 -9.608 1.428 1.00 0.00 H new ATOM 0 HG SER A 50 31.634 -9.515 -0.369 1.00 0.00 H new ATOM 770 N ASP A 51 28.914 -7.532 -1.839 1.00 0.00 N ATOM 771 CA ASP A 51 28.480 -7.896 -3.182 1.00 0.00 C ATOM 772 C ASP A 51 28.431 -6.658 -4.065 1.00 0.00 C ATOM 773 O ASP A 51 28.063 -6.727 -5.239 1.00 0.00 O ATOM 774 CB ASP A 51 27.087 -8.515 -3.133 1.00 0.00 C ATOM 775 CG ASP A 51 27.012 -9.717 -2.211 1.00 0.00 C ATOM 776 OD1 ASP A 51 26.836 -9.520 -0.990 1.00 0.00 O ATOM 777 OD2 ASP A 51 27.130 -10.856 -2.710 1.00 0.00 O ATOM 0 H ASP A 51 28.693 -6.568 -1.590 1.00 0.00 H new ATOM 0 HA ASP A 51 29.189 -8.616 -3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 51 26.371 -7.763 -2.801 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.792 -8.815 -4.139 1.00 0.00 H new ATOM 782 N GLY A 52 28.809 -5.524 -3.483 1.00 0.00 N ATOM 783 CA GLY A 52 28.771 -4.274 -4.214 1.00 0.00 C ATOM 784 C GLY A 52 27.377 -3.952 -4.714 1.00 0.00 C ATOM 785 O GLY A 52 27.182 -3.152 -5.629 1.00 0.00 O ATOM 0 H GLY A 52 29.140 -5.450 -2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 52 29.121 -3.467 -3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 52 29.456 -4.327 -5.060 1.00 0.00 H new ATOM 789 N GLU A 53 26.417 -4.612 -4.079 1.00 0.00 N ATOM 790 CA GLU A 53 25.007 -4.414 -4.377 1.00 0.00 C ATOM 791 C GLU A 53 24.240 -4.170 -3.085 1.00 0.00 C ATOM 792 O GLU A 53 24.757 -4.420 -1.997 1.00 0.00 O ATOM 793 CB GLU A 53 24.437 -5.634 -5.103 1.00 0.00 C ATOM 794 CG GLU A 53 24.165 -6.817 -4.187 1.00 0.00 C ATOM 795 CD GLU A 53 23.848 -8.087 -4.951 1.00 0.00 C ATOM 796 OE1 GLU A 53 24.796 -8.822 -5.300 1.00 0.00 O ATOM 797 OE2 GLU A 53 22.653 -8.348 -5.203 1.00 0.00 O ATOM 0 H GLU A 53 26.595 -5.298 -3.345 1.00 0.00 H new ATOM 0 HA GLU A 53 24.903 -3.546 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.510 -5.350 -5.600 1.00 0.00 H new ATOM 0 HB3 GLU A 53 25.135 -5.941 -5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 53 25.034 -6.987 -3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.331 -6.577 -3.528 1.00 0.00 H new ATOM 804 N TRP A 54 23.020 -3.670 -3.204 1.00 0.00 N ATOM 805 CA TRP A 54 22.191 -3.410 -2.044 1.00 0.00 C ATOM 806 C TRP A 54 21.280 -4.593 -1.764 1.00 0.00 C ATOM 807 O TRP A 54 20.379 -4.918 -2.538 1.00 0.00 O ATOM 808 CB TRP A 54 21.364 -2.153 -2.279 1.00 0.00 C ATOM 809 CG TRP A 54 22.202 -0.920 -2.429 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.462 -0.238 -3.582 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.902 -0.233 -1.390 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.284 0.834 -3.320 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.565 0.858 -1.981 1.00 0.00 C ATOM 814 CE3 TRP A 54 23.028 -0.433 -0.015 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.347 1.743 -1.242 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.803 0.445 0.718 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.452 1.522 0.103 1.00 0.00 C ATOM 0 H TRP A 54 22.584 -3.437 -4.096 1.00 0.00 H new ATOM 0 HA TRP A 54 22.834 -3.261 -1.176 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.759 -2.285 -3.176 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.674 -2.018 -1.446 1.00 0.00 H new ATOM 0 HD1 TRP A 54 22.079 -0.501 -4.557 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.628 1.501 -4.011 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.528 -1.260 0.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 24.852 2.573 -1.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.910 0.298 1.783 1.00 0.00 H new ATOM 0 HH2 TRP A 54 25.048 2.193 0.704 1.00 0.00 H new ATOM 828 N VAL A 55 21.548 -5.228 -0.627 1.00 0.00 N ATOM 829 CA VAL A 55 20.795 -6.384 -0.176 1.00 0.00 C ATOM 830 C VAL A 55 19.751 -5.910 0.823 1.00 0.00 C ATOM 831 O VAL A 55 20.043 -5.027 1.631 1.00 0.00 O ATOM 832 CB VAL A 55 21.723 -7.420 0.493 1.00 0.00 C ATOM 833 CG1 VAL A 55 21.027 -8.119 1.646 1.00 0.00 C ATOM 834 CG2 VAL A 55 22.218 -8.429 -0.525 1.00 0.00 C ATOM 0 H VAL A 55 22.297 -4.951 0.007 1.00 0.00 H new ATOM 0 HA VAL A 55 20.319 -6.863 -1.032 1.00 0.00 H new ATOM 0 HB VAL A 55 22.583 -6.887 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.707 -8.842 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.733 -7.383 2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 55 20.141 -8.635 1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 55 22.871 -9.151 -0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 55 21.367 -8.949 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 55 22.772 -7.913 -1.309 1.00 0.00 H new ATOM 844 N TYR A 56 18.554 -6.487 0.799 1.00 0.00 N ATOM 845 CA TYR A 56 17.532 -6.075 1.764 1.00 0.00 C ATOM 846 C TYR A 56 16.186 -6.749 1.523 1.00 0.00 C ATOM 847 O TYR A 56 15.176 -6.374 2.118 1.00 0.00 O ATOM 848 CB TYR A 56 17.348 -4.556 1.716 1.00 0.00 C ATOM 849 CG TYR A 56 17.152 -4.024 0.312 1.00 0.00 C ATOM 850 CD1 TYR A 56 15.894 -3.995 -0.268 1.00 0.00 C ATOM 851 CD2 TYR A 56 18.230 -3.564 -0.437 1.00 0.00 C ATOM 852 CE1 TYR A 56 15.711 -3.521 -1.553 1.00 0.00 C ATOM 853 CE2 TYR A 56 18.054 -3.091 -1.723 1.00 0.00 C ATOM 854 CZ TYR A 56 16.794 -3.071 -2.276 1.00 0.00 C ATOM 855 OH TYR A 56 16.614 -2.604 -3.557 1.00 0.00 O ATOM 0 H TYR A 56 18.270 -7.218 0.147 1.00 0.00 H new ATOM 0 HA TYR A 56 17.886 -6.387 2.747 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.487 -4.281 2.325 1.00 0.00 H new ATOM 0 HB3 TYR A 56 18.220 -4.076 2.161 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.042 -4.349 0.294 1.00 0.00 H new ATOM 0 HD2 TYR A 56 19.220 -3.577 -0.006 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.723 -3.503 -1.989 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.902 -2.738 -2.292 1.00 0.00 H new ATOM 0 HH TYR A 56 15.682 -2.739 -3.827 1.00 0.00 H new ATOM 865 N ASN A 57 16.190 -7.746 0.648 1.00 0.00 N ATOM 866 CA ASN A 57 14.982 -8.498 0.322 1.00 0.00 C ATOM 867 C ASN A 57 13.898 -7.576 -0.228 1.00 0.00 C ATOM 868 O ASN A 57 14.121 -6.379 -0.408 1.00 0.00 O ATOM 869 CB ASN A 57 14.463 -9.230 1.562 1.00 0.00 C ATOM 870 CG ASN A 57 15.510 -10.136 2.181 1.00 0.00 C ATOM 871 OD1 ASN A 57 16.377 -10.700 1.347 1.00 0.00 O flip ATOM 872 ND2 ASN A 57 15.539 -10.329 3.397 1.00 0.00 N flip ATOM 0 H ASN A 57 17.023 -8.056 0.147 1.00 0.00 H new ATOM 0 HA ASN A 57 15.235 -9.229 -0.446 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.136 -8.499 2.302 1.00 0.00 H new ATOM 0 HB3 ASN A 57 13.589 -9.822 1.291 1.00 0.00 H new ATOM 0 HD21 ASN A 57 14.854 -9.876 4.002 1.00 0.00 H new ATOM 0 HD22 ASN A 57 16.248 -10.942 3.799 1.00 0.00 H new ATOM 879 N THR A 58 12.726 -8.138 -0.498 1.00 0.00 N ATOM 880 CA THR A 58 11.613 -7.360 -1.024 1.00 0.00 C ATOM 881 C THR A 58 10.629 -7.012 0.082 1.00 0.00 C ATOM 882 O THR A 58 9.615 -7.685 0.262 1.00 0.00 O ATOM 883 CB THR A 58 10.870 -8.109 -2.145 1.00 0.00 C ATOM 884 OG1 THR A 58 11.797 -8.524 -3.156 1.00 0.00 O ATOM 885 CG2 THR A 58 9.797 -7.226 -2.765 1.00 0.00 C ATOM 0 H THR A 58 12.523 -9.128 -0.361 1.00 0.00 H new ATOM 0 HA THR A 58 12.035 -6.445 -1.440 1.00 0.00 H new ATOM 0 HB THR A 58 10.391 -8.986 -1.711 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.316 -9.001 -3.864 1.00 0.00 H new ATOM 0 HG21 THR A 58 9.285 -7.776 -3.555 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.077 -6.936 -1.999 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.259 -6.333 -3.186 1.00 0.00 H new ATOM 893 N PHE A 59 10.946 -5.961 0.825 1.00 0.00 N ATOM 894 CA PHE A 59 10.092 -5.516 1.913 1.00 0.00 C ATOM 895 C PHE A 59 8.780 -4.947 1.373 1.00 0.00 C ATOM 896 O PHE A 59 8.738 -4.381 0.280 1.00 0.00 O ATOM 897 CB PHE A 59 10.826 -4.486 2.779 1.00 0.00 C ATOM 898 CG PHE A 59 11.611 -3.463 2.005 1.00 0.00 C ATOM 899 CD1 PHE A 59 11.004 -2.681 1.036 1.00 0.00 C ATOM 900 CD2 PHE A 59 12.962 -3.284 2.253 1.00 0.00 C ATOM 901 CE1 PHE A 59 11.728 -1.740 0.331 1.00 0.00 C ATOM 902 CE2 PHE A 59 13.691 -2.343 1.551 1.00 0.00 C ATOM 903 CZ PHE A 59 13.074 -1.570 0.589 1.00 0.00 C ATOM 0 H PHE A 59 11.789 -5.402 0.693 1.00 0.00 H new ATOM 0 HA PHE A 59 9.849 -6.375 2.538 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.097 -3.969 3.403 1.00 0.00 H new ATOM 0 HB3 PHE A 59 11.504 -5.013 3.451 1.00 0.00 H new ATOM 0 HD1 PHE A 59 9.952 -2.809 0.829 1.00 0.00 H new ATOM 0 HD2 PHE A 59 13.451 -3.887 3.004 1.00 0.00 H new ATOM 0 HE1 PHE A 59 11.242 -1.137 -0.422 1.00 0.00 H new ATOM 0 HE2 PHE A 59 14.743 -2.213 1.755 1.00 0.00 H new ATOM 0 HZ PHE A 59 13.642 -0.834 0.039 1.00 0.00 H new ATOM 913 N CYS A 60 7.712 -5.126 2.146 1.00 0.00 N ATOM 914 CA CYS A 60 6.378 -4.647 1.774 1.00 0.00 C ATOM 915 C CYS A 60 5.787 -5.479 0.637 1.00 0.00 C ATOM 916 O CYS A 60 6.512 -5.969 -0.228 1.00 0.00 O ATOM 917 CB CYS A 60 6.403 -3.175 1.350 1.00 0.00 C ATOM 918 SG CYS A 60 7.393 -2.076 2.417 1.00 0.00 S ATOM 0 H CYS A 60 7.744 -5.605 3.046 1.00 0.00 H new ATOM 0 HA CYS A 60 5.754 -4.750 2.661 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.790 -3.113 0.333 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.379 -2.804 1.324 1.00 0.00 H new ATOM 923 N ILE A 61 4.464 -5.633 0.652 1.00 0.00 N ATOM 924 CA ILE A 61 3.767 -6.390 -0.382 1.00 0.00 C ATOM 925 C ILE A 61 2.649 -5.559 -0.998 1.00 0.00 C ATOM 926 O ILE A 61 1.593 -5.366 -0.397 1.00 0.00 O ATOM 927 CB ILE A 61 3.183 -7.714 0.154 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.346 -8.399 -0.927 1.00 0.00 C ATOM 929 CG2 ILE A 61 2.345 -7.473 1.403 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.078 -9.863 -0.651 1.00 0.00 C ATOM 0 H ILE A 61 3.854 -5.242 1.370 1.00 0.00 H new ATOM 0 HA ILE A 61 4.509 -6.631 -1.144 1.00 0.00 H new ATOM 0 HB ILE A 61 4.012 -8.369 0.424 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.394 -7.876 -1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.859 -8.307 -1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.945 -8.421 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.967 -7.026 2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.522 -6.799 1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.479 -10.282 -1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.024 -10.400 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.537 -9.963 0.290 1.00 0.00 H new ATOM 942 N TYR A 62 2.893 -5.073 -2.203 1.00 0.00 N ATOM 943 CA TYR A 62 1.922 -4.254 -2.910 1.00 0.00 C ATOM 944 C TYR A 62 0.684 -5.050 -3.293 1.00 0.00 C ATOM 945 O TYR A 62 0.743 -5.956 -4.123 1.00 0.00 O ATOM 946 CB TYR A 62 2.553 -3.658 -4.167 1.00 0.00 C ATOM 947 CG TYR A 62 1.966 -2.325 -4.566 1.00 0.00 C ATOM 948 CD1 TYR A 62 0.595 -2.138 -4.671 1.00 0.00 C ATOM 949 CD2 TYR A 62 2.794 -1.245 -4.818 1.00 0.00 C ATOM 950 CE1 TYR A 62 0.070 -0.908 -5.017 1.00 0.00 C ATOM 951 CE2 TYR A 62 2.283 -0.014 -5.164 1.00 0.00 C ATOM 952 CZ TYR A 62 0.921 0.152 -5.263 1.00 0.00 C ATOM 953 OH TYR A 62 0.411 1.382 -5.597 1.00 0.00 O ATOM 0 H TYR A 62 3.761 -5.232 -2.715 1.00 0.00 H new ATOM 0 HA TYR A 62 1.616 -3.455 -2.235 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.624 -3.539 -4.004 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.432 -4.360 -4.992 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.071 -2.966 -4.479 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.864 -1.370 -4.742 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.999 -0.776 -5.095 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.947 0.816 -5.356 1.00 0.00 H new ATOM 0 HH TYR A 62 0.532 2.001 -4.847 1.00 0.00 H new ATOM 963 N LYS A 63 -0.438 -4.701 -2.674 1.00 0.00 N ATOM 964 CA LYS A 63 -1.718 -5.326 -2.958 1.00 0.00 C ATOM 965 C LYS A 63 -2.835 -4.424 -2.454 1.00 0.00 C ATOM 966 O LYS A 63 -2.923 -4.135 -1.261 1.00 0.00 O ATOM 967 CB LYS A 63 -1.804 -6.718 -2.316 1.00 0.00 C ATOM 968 CG LYS A 63 -1.437 -6.759 -0.838 1.00 0.00 C ATOM 969 CD LYS A 63 -1.265 -8.195 -0.357 1.00 0.00 C ATOM 970 CE LYS A 63 -1.264 -8.300 1.157 1.00 0.00 C ATOM 971 NZ LYS A 63 -1.184 -9.716 1.611 1.00 0.00 N ATOM 0 H LYS A 63 -0.482 -3.974 -1.960 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.822 -5.459 -4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.819 -7.097 -2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.145 -7.395 -2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.514 -6.204 -0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.214 -6.266 -0.253 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.069 -8.810 -0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.330 -8.597 -0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.420 -7.740 1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.169 -7.841 1.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.979 -9.921 2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.230 -10.348 0.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.287 -9.869 2.114 1.00 0.00 H new ATOM 985 N ARG A 64 -3.682 -3.977 -3.369 1.00 0.00 N ATOM 986 CA ARG A 64 -4.771 -3.078 -3.018 1.00 0.00 C ATOM 987 C ARG A 64 -6.134 -3.693 -3.308 1.00 0.00 C ATOM 988 O ARG A 64 -6.279 -4.915 -3.360 1.00 0.00 O ATOM 989 CB ARG A 64 -4.612 -1.756 -3.764 1.00 0.00 C ATOM 990 CG ARG A 64 -4.039 -1.909 -5.159 1.00 0.00 C ATOM 991 CD ARG A 64 -3.198 -0.705 -5.535 1.00 0.00 C ATOM 992 NE ARG A 64 -4.002 0.509 -5.649 1.00 0.00 N ATOM 993 CZ ARG A 64 -3.530 1.669 -6.096 1.00 0.00 C ATOM 994 NH1 ARG A 64 -2.261 1.775 -6.469 1.00 0.00 N ATOM 995 NH2 ARG A 64 -4.330 2.724 -6.174 1.00 0.00 N ATOM 0 H ARG A 64 -3.637 -4.221 -4.358 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.722 -2.897 -1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.584 -1.268 -3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.964 -1.098 -3.185 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.431 -2.812 -5.209 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.849 -2.030 -5.878 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.421 -0.557 -4.785 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.694 -0.896 -6.482 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.982 0.464 -5.370 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.644 0.965 -6.413 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.903 2.667 -6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.307 2.645 -5.891 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.968 3.614 -6.517 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.133 -2.835 -3.498 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.490 -3.285 -3.762 1.00 0.00 C ATOM 1011 C CYS A 65 -9.122 -2.455 -4.866 1.00 0.00 C ATOM 1012 O CYS A 65 -9.053 -1.225 -4.839 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.326 -3.161 -2.489 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.366 -3.367 -0.954 1.00 0.00 S ATOM 0 H CYS A 65 -7.024 -1.821 -3.473 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.457 -4.326 -4.082 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -9.808 -2.184 -2.476 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.120 -3.908 -2.513 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.739 -3.115 -5.840 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.377 -2.388 -6.925 1.00 0.00 C ATOM 1021 C ARG A 66 -11.528 -1.563 -6.367 1.00 0.00 C ATOM 1022 O ARG A 66 -12.235 -1.999 -5.462 1.00 0.00 O ATOM 1023 CB ARG A 66 -10.865 -3.338 -8.022 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.634 -2.642 -9.136 1.00 0.00 C ATOM 1025 CD ARG A 66 -10.778 -1.605 -9.845 1.00 0.00 C ATOM 1026 NE ARG A 66 -11.528 -0.883 -10.870 1.00 0.00 N ATOM 1027 CZ ARG A 66 -10.964 -0.096 -11.781 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -9.647 0.063 -11.802 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -11.716 0.532 -12.675 1.00 0.00 N ATOM 0 H ARG A 66 -9.809 -4.131 -5.899 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.645 -1.722 -7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.006 -3.854 -8.452 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.502 -4.100 -7.573 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.981 -3.382 -9.857 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.520 -2.161 -8.722 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.388 -0.896 -9.114 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.919 -2.096 -10.303 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.542 -0.989 -10.888 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.064 -0.419 -11.118 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.217 0.668 -12.502 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.729 0.412 -12.664 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.282 1.135 -13.373 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.703 -0.372 -6.916 1.00 0.00 N ATOM 1044 CA HIS A 67 -12.763 0.530 -6.478 1.00 0.00 C ATOM 1045 C HIS A 67 -14.100 -0.206 -6.328 1.00 0.00 C ATOM 1046 O HIS A 67 -14.463 -1.025 -7.172 1.00 0.00 O ATOM 1047 CB HIS A 67 -12.912 1.678 -7.479 1.00 0.00 C ATOM 1048 CG HIS A 67 -13.656 2.860 -6.940 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -15.006 3.055 -7.137 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -13.228 3.916 -6.210 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -15.376 4.180 -6.551 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -14.316 4.721 -5.981 1.00 0.00 N ATOM 0 H HIS A 67 -11.123 -0.003 -7.670 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.486 0.927 -5.501 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -11.921 2.000 -7.798 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.428 1.309 -8.365 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -12.218 4.093 -5.871 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.376 4.588 -6.540 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -14.307 5.595 -5.456 1.00 0.00 H new ATOM 1061 N PRO A 68 -14.847 0.081 -5.242 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.156 -0.538 -4.981 1.00 0.00 C ATOM 1063 C PRO A 68 -17.139 -0.254 -6.103 1.00 0.00 C ATOM 1064 O PRO A 68 -17.929 -1.112 -6.495 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.630 0.147 -3.690 1.00 0.00 C ATOM 1066 CG PRO A 68 -15.819 1.389 -3.586 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.490 1.051 -4.194 1.00 0.00 C ATOM 0 HA PRO A 68 -16.088 -1.623 -4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.695 0.375 -3.734 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.477 -0.497 -2.824 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.295 2.214 -4.116 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.708 1.699 -2.547 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.999 1.932 -4.608 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.808 0.621 -3.461 1.00 0.00 H new ATOM 1075 N GLY A 69 -17.076 0.968 -6.611 1.00 0.00 N ATOM 1076 CA GLY A 69 -17.983 1.391 -7.655 1.00 0.00 C ATOM 1077 C GLY A 69 -18.921 2.466 -7.152 1.00 0.00 C ATOM 1078 O GLY A 69 -18.845 2.897 -6.002 1.00 0.00 O ATOM 0 H GLY A 69 -16.407 1.678 -6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.415 1.767 -8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.559 0.537 -8.010 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.796 2.902 -8.046 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.774 3.926 -7.723 1.00 0.00 C ATOM 1084 C GLU A 70 -21.992 3.305 -7.061 1.00 0.00 C ATOM 1085 O GLU A 70 -22.574 2.344 -7.567 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.171 4.725 -8.966 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.093 5.896 -8.669 1.00 0.00 C ATOM 1088 CD GLU A 70 -22.405 6.718 -9.904 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -21.635 7.654 -10.203 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -23.419 6.425 -10.572 1.00 0.00 O ATOM 0 H GLU A 70 -19.847 2.559 -9.005 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.318 4.622 -7.019 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.269 5.098 -9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.662 4.058 -9.675 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -23.023 5.522 -8.241 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -21.631 6.536 -7.918 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.383 3.884 -5.937 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.545 3.429 -5.199 1.00 0.00 C ATOM 1099 C LEU A 71 -24.700 4.374 -5.504 1.00 0.00 C ATOM 1100 O LEU A 71 -24.798 5.460 -4.932 1.00 0.00 O ATOM 1101 CB LEU A 71 -23.223 3.383 -3.699 1.00 0.00 C ATOM 1102 CG LEU A 71 -24.424 3.286 -2.763 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -25.295 2.087 -3.110 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -23.968 3.214 -1.314 1.00 0.00 C ATOM 0 H LEU A 71 -21.904 4.679 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.827 2.420 -5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -22.572 2.529 -3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -22.657 4.278 -3.441 1.00 0.00 H new ATOM 0 HG LEU A 71 -25.025 4.186 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -26.143 2.043 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -25.658 2.185 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -24.708 1.173 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -24.838 3.145 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -23.339 2.335 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -23.399 4.110 -1.067 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.570 3.953 -6.421 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.712 4.774 -6.801 1.00 0.00 C ATOM 1118 C ARG A 72 -27.603 4.983 -5.588 1.00 0.00 C ATOM 1119 O ARG A 72 -28.026 4.028 -4.935 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.485 4.160 -7.969 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.783 4.881 -8.292 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.507 4.225 -9.457 1.00 0.00 C ATOM 1123 NE ARG A 72 -28.686 4.191 -10.665 1.00 0.00 N ATOM 1124 CZ ARG A 72 -28.961 3.431 -11.722 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.024 2.639 -11.717 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -28.169 3.460 -12.785 1.00 0.00 N ATOM 0 H ARG A 72 -25.505 3.059 -6.908 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.351 5.743 -7.147 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.849 4.162 -8.854 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.707 3.118 -7.738 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.429 4.881 -7.414 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.572 5.923 -8.533 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -29.789 3.209 -9.182 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -30.430 4.768 -9.662 1.00 0.00 H new ATOM 0 HE ARG A 72 -27.856 4.783 -10.700 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -30.635 2.611 -10.901 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.231 2.058 -12.529 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.348 4.065 -12.793 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -28.381 2.877 -13.595 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.873 6.254 -5.299 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.644 6.625 -4.128 1.00 0.00 C ATOM 1142 C ASN A 73 -27.824 6.224 -2.917 1.00 0.00 C ATOM 1143 O ASN A 73 -28.326 5.579 -1.999 1.00 0.00 O ATOM 1144 CB ASN A 73 -30.014 5.939 -4.120 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.811 6.218 -5.381 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -30.606 7.394 -5.965 1.00 0.00 O flip ATOM 1147 ND2 ASN A 73 -31.604 5.387 -5.824 1.00 0.00 N flip ATOM 0 H ASN A 73 -27.565 7.044 -5.867 1.00 0.00 H new ATOM 0 HA ASN A 73 -28.841 7.697 -4.124 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.877 4.863 -4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.581 6.278 -3.253 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.731 4.496 -5.344 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -32.134 5.589 -6.671 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.557 6.635 -2.910 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.684 6.282 -1.817 1.00 0.00 C ATOM 1156 C GLY A 74 -24.378 7.052 -1.840 1.00 0.00 C ATOM 1157 O GLY A 74 -24.118 7.818 -2.767 1.00 0.00 O ATOM 0 H GLY A 74 -26.127 7.203 -3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.196 6.470 -0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.472 5.214 -1.857 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.553 6.847 -0.817 1.00 0.00 N ATOM 1162 CA GLN A 75 -22.268 7.533 -0.725 1.00 0.00 C ATOM 1163 C GLN A 75 -21.148 6.559 -0.365 1.00 0.00 C ATOM 1164 O GLN A 75 -21.298 5.727 0.528 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.338 8.650 0.317 1.00 0.00 C ATOM 1166 CG GLN A 75 -23.448 9.658 0.061 1.00 0.00 C ATOM 1167 CD GLN A 75 -23.440 10.800 1.058 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -22.390 11.181 1.576 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -24.616 11.352 1.335 1.00 0.00 N ATOM 0 H GLN A 75 -23.751 6.213 -0.042 1.00 0.00 H new ATOM 0 HA GLN A 75 -22.048 7.964 -1.701 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.482 8.207 1.302 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -21.382 9.174 0.340 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -23.343 10.060 -0.947 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -24.412 9.150 0.103 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -25.462 11.005 0.882 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -24.673 12.123 2.000 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.028 6.672 -1.071 1.00 0.00 N ATOM 1179 CA VAL A 76 -18.880 5.806 -0.819 1.00 0.00 C ATOM 1180 C VAL A 76 -17.767 6.569 -0.109 1.00 0.00 C ATOM 1181 O VAL A 76 -17.118 7.430 -0.705 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.322 5.201 -2.119 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -17.137 4.295 -1.815 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -19.409 4.442 -2.864 1.00 0.00 C ATOM 0 H VAL A 76 -19.890 7.351 -1.819 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.234 4.996 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 76 -17.976 6.012 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.753 3.874 -2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.353 4.873 -1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.456 3.488 -1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -18.996 4.021 -3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -19.788 3.637 -2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.223 5.123 -3.112 1.00 0.00 H new ATOM 1194 N GLU A 77 -17.550 6.254 1.163 1.00 0.00 N ATOM 1195 CA GLU A 77 -16.507 6.913 1.940 1.00 0.00 C ATOM 1196 C GLU A 77 -15.127 6.363 1.580 1.00 0.00 C ATOM 1197 O GLU A 77 -14.758 5.267 2.001 1.00 0.00 O ATOM 1198 CB GLU A 77 -16.762 6.734 3.438 1.00 0.00 C ATOM 1199 CG GLU A 77 -15.775 7.489 4.311 1.00 0.00 C ATOM 1200 CD GLU A 77 -15.956 8.992 4.232 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -15.326 9.620 3.356 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -16.728 9.542 5.046 1.00 0.00 O ATOM 0 H GLU A 77 -18.080 5.550 1.676 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.531 7.976 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.773 7.070 3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.715 5.673 3.683 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.891 7.167 5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.759 7.233 4.009 1.00 0.00 H new ATOM 1209 N ILE A 78 -14.373 7.130 0.798 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.032 6.724 0.384 1.00 0.00 C ATOM 1211 C ILE A 78 -11.989 7.711 0.896 1.00 0.00 C ATOM 1212 O ILE A 78 -12.237 8.916 0.946 1.00 0.00 O ATOM 1213 CB ILE A 78 -12.923 6.618 -1.151 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -13.899 5.565 -1.684 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -11.497 6.283 -1.565 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.671 4.178 -1.117 1.00 0.00 C ATOM 0 H ILE A 78 -14.668 8.038 0.437 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.845 5.741 0.816 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.186 7.584 -1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -14.918 5.878 -1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.815 5.522 -2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.441 6.212 -2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.824 7.066 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.204 5.330 -1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.400 3.487 -1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.665 3.843 -1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.784 4.205 -0.033 1.00 0.00 H new ATOM 1228 N LYS A 79 -10.819 7.198 1.275 1.00 0.00 N ATOM 1229 CA LYS A 79 -9.755 8.048 1.799 1.00 0.00 C ATOM 1230 C LYS A 79 -8.462 7.276 1.997 1.00 0.00 C ATOM 1231 O LYS A 79 -7.639 7.638 2.839 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.180 8.650 3.136 1.00 0.00 C ATOM 1233 CG LYS A 79 -10.393 7.617 4.239 1.00 0.00 C ATOM 1234 CD LYS A 79 -11.512 6.639 3.905 1.00 0.00 C ATOM 1235 CE LYS A 79 -12.023 5.930 5.149 1.00 0.00 C ATOM 1236 NZ LYS A 79 -13.106 4.958 4.832 1.00 0.00 N ATOM 0 H LYS A 79 -10.587 6.206 1.229 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.578 8.836 1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.421 9.362 3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.104 9.211 2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.467 7.065 4.401 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.627 8.128 5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.333 7.173 3.427 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.150 5.902 3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.198 5.408 5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.395 6.668 5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.951 5.185 5.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.338 5.015 3.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.786 3.995 5.061 1.00 0.00 H new ATOM 1250 N THR A 80 -8.273 6.226 1.219 1.00 0.00 N ATOM 1251 CA THR A 80 -7.074 5.418 1.341 1.00 0.00 C ATOM 1252 C THR A 80 -6.658 4.859 -0.004 1.00 0.00 C ATOM 1253 O THR A 80 -5.868 3.916 -0.078 1.00 0.00 O ATOM 1254 CB THR A 80 -7.287 4.258 2.328 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.362 3.423 1.880 1.00 0.00 O ATOM 1256 CG2 THR A 80 -7.598 4.786 3.722 1.00 0.00 C ATOM 0 H THR A 80 -8.928 5.915 0.502 1.00 0.00 H new ATOM 0 HA THR A 80 -6.284 6.067 1.719 1.00 0.00 H new ATOM 0 HB THR A 80 -6.368 3.674 2.372 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.805 3.017 2.654 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.745 3.948 4.404 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.767 5.398 4.073 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.505 5.390 3.688 1.00 0.00 H new ATOM 1264 N ASP A 81 -7.193 5.446 -1.071 1.00 0.00 N ATOM 1265 CA ASP A 81 -6.875 4.991 -2.421 1.00 0.00 C ATOM 1266 C ASP A 81 -7.270 3.534 -2.589 1.00 0.00 C ATOM 1267 O ASP A 81 -6.945 2.894 -3.590 1.00 0.00 O ATOM 1268 CB ASP A 81 -5.385 5.127 -2.683 1.00 0.00 C ATOM 1269 CG ASP A 81 -4.929 6.570 -2.734 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -5.064 7.198 -3.806 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -4.436 7.075 -1.703 1.00 0.00 O ATOM 0 H ASP A 81 -7.843 6.231 -1.028 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.430 5.607 -3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.834 4.604 -1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.140 4.640 -3.627 1.00 0.00 H new ATOM 1276 N LEU A 82 -7.970 3.029 -1.584 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.428 1.652 -1.570 1.00 0.00 C ATOM 1278 C LEU A 82 -7.241 0.696 -1.481 1.00 0.00 C ATOM 1279 O LEU A 82 -7.076 -0.188 -2.320 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.238 1.400 -2.830 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.222 2.521 -3.165 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -10.006 3.019 -4.583 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -11.646 2.053 -2.968 1.00 0.00 C ATOM 0 H LEU A 82 -8.235 3.564 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.055 1.476 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.555 1.266 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.790 0.467 -2.716 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.040 3.353 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.717 3.816 -4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.990 3.401 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.156 2.198 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.332 2.864 -3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.843 1.203 -3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.790 1.754 -1.930 1.00 0.00 H new ATOM 1295 N SER A 83 -6.422 0.881 -0.456 1.00 0.00 N ATOM 1296 CA SER A 83 -5.277 0.005 -0.231 1.00 0.00 C ATOM 1297 C SER A 83 -5.633 -1.056 0.809 1.00 0.00 C ATOM 1298 O SER A 83 -6.207 -0.739 1.851 1.00 0.00 O ATOM 1299 CB SER A 83 -4.055 0.807 0.220 1.00 0.00 C ATOM 1300 OG SER A 83 -4.326 1.523 1.412 1.00 0.00 O ATOM 0 H SER A 83 -6.527 1.627 0.232 1.00 0.00 H new ATOM 0 HA SER A 83 -5.027 -0.487 -1.171 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.213 0.133 0.380 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.762 1.502 -0.567 1.00 0.00 H new ATOM 0 HG SER A 83 -4.969 1.022 1.956 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.306 -2.315 0.505 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.597 -3.443 1.397 1.00 0.00 C ATOM 1308 C PHE A 84 -5.551 -3.037 2.867 1.00 0.00 C ATOM 1309 O PHE A 84 -4.683 -2.271 3.287 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.609 -4.587 1.148 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.694 -5.695 2.162 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.664 -6.680 2.055 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -3.805 -5.751 3.224 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -5.742 -7.698 2.986 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -3.879 -6.767 4.158 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.850 -7.742 4.039 1.00 0.00 C ATOM 0 H PHE A 84 -4.835 -2.581 -0.360 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.610 -3.777 1.173 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.789 -5.001 0.156 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.596 -4.185 1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.366 -6.651 1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.044 -4.991 3.323 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.501 -8.460 2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.179 -6.798 4.980 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.911 -8.537 4.768 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.489 -3.570 3.646 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.547 -3.262 5.060 1.00 0.00 C ATOM 1328 C GLY A 85 -7.287 -1.970 5.342 1.00 0.00 C ATOM 1329 O GLY A 85 -6.854 -1.173 6.175 1.00 0.00 O ATOM 0 H GLY A 85 -7.211 -4.212 3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.037 -4.080 5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.534 -3.190 5.455 1.00 0.00 H new ATOM 1333 N SER A 86 -8.406 -1.759 4.652 1.00 0.00 N ATOM 1334 CA SER A 86 -9.194 -0.549 4.848 1.00 0.00 C ATOM 1335 C SER A 86 -10.686 -0.836 4.848 1.00 0.00 C ATOM 1336 O SER A 86 -11.162 -1.771 4.202 1.00 0.00 O ATOM 1337 CB SER A 86 -8.874 0.491 3.776 1.00 0.00 C ATOM 1338 OG SER A 86 -9.057 -0.043 2.476 1.00 0.00 O ATOM 0 H SER A 86 -8.783 -2.405 3.959 1.00 0.00 H new ATOM 0 HA SER A 86 -8.923 -0.153 5.827 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.515 1.363 3.908 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.845 0.832 3.891 1.00 0.00 H new ATOM 0 HG SER A 86 -8.192 -0.327 2.114 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.410 -0.010 5.586 1.00 0.00 N ATOM 1345 CA GLN A 87 -12.854 -0.133 5.696 1.00 0.00 C ATOM 1346 C GLN A 87 -13.531 1.120 5.141 1.00 0.00 C ATOM 1347 O GLN A 87 -13.170 2.241 5.498 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.247 -0.370 7.161 1.00 0.00 C ATOM 1349 CG GLN A 87 -14.721 -0.150 7.462 1.00 0.00 C ATOM 1350 CD GLN A 87 -15.084 1.319 7.528 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -16.222 1.702 7.262 1.00 0.00 O ATOM 1352 NE2 GLN A 87 -14.107 2.151 7.872 1.00 0.00 N ATOM 0 H GLN A 87 -11.015 0.762 6.124 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.190 -0.988 5.109 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.982 -1.391 7.434 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.657 0.293 7.794 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.322 -0.636 6.694 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.970 -0.626 8.410 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.178 1.787 8.084 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.286 3.154 7.924 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.503 0.924 4.253 1.00 0.00 N ATOM 1362 CA ILE A 88 -15.228 2.041 3.655 1.00 0.00 C ATOM 1363 C ILE A 88 -16.731 1.878 3.855 1.00 0.00 C ATOM 1364 O ILE A 88 -17.315 0.864 3.470 1.00 0.00 O ATOM 1365 CB ILE A 88 -14.914 2.192 2.151 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -15.316 0.934 1.379 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.436 2.490 1.952 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.162 1.065 -0.122 1.00 0.00 C ATOM 0 H ILE A 88 -14.806 0.004 3.933 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.894 2.946 4.162 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.497 3.026 1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.710 0.097 1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -16.354 0.693 1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.226 2.594 0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.179 3.417 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.842 1.673 2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.466 0.134 -0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.789 1.880 -0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.120 1.274 -0.364 1.00 0.00 H new ATOM 1380 N GLU A 89 -17.352 2.879 4.470 1.00 0.00 N ATOM 1381 CA GLU A 89 -18.786 2.837 4.728 1.00 0.00 C ATOM 1382 C GLU A 89 -19.577 3.255 3.498 1.00 0.00 C ATOM 1383 O GLU A 89 -19.011 3.641 2.476 1.00 0.00 O ATOM 1384 CB GLU A 89 -19.159 3.752 5.898 1.00 0.00 C ATOM 1385 CG GLU A 89 -18.038 3.961 6.900 1.00 0.00 C ATOM 1386 CD GLU A 89 -18.424 4.907 8.020 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -19.012 4.437 9.017 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -18.140 6.117 7.900 1.00 0.00 O ATOM 0 H GLU A 89 -16.887 3.726 4.798 1.00 0.00 H new ATOM 0 HA GLU A 89 -19.038 1.807 4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -19.466 4.721 5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -20.021 3.330 6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.752 2.999 7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.163 4.354 6.383 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.895 3.172 3.617 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.796 3.549 2.539 1.00 0.00 C ATOM 1397 C PHE A 90 -23.012 4.253 3.127 1.00 0.00 C ATOM 1398 O PHE A 90 -23.502 3.860 4.186 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.228 2.310 1.752 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.076 1.492 1.238 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.529 0.477 2.011 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.540 1.733 -0.019 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.472 -0.278 1.541 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.482 0.980 -0.493 1.00 0.00 C ATOM 1405 CZ PHE A 90 -18.948 -0.027 0.288 1.00 0.00 C ATOM 0 H PHE A 90 -21.367 2.843 4.459 1.00 0.00 H new ATOM 0 HA PHE A 90 -21.282 4.225 1.856 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.851 1.684 2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.846 2.622 0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.935 0.275 2.991 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -20.954 2.518 -0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.055 -1.064 2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.073 1.179 -1.473 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.122 -0.617 -0.081 1.00 0.00 H new ATOM 1415 N SER A 91 -23.500 5.297 2.464 1.00 0.00 N ATOM 1416 CA SER A 91 -24.647 6.039 2.967 1.00 0.00 C ATOM 1417 C SER A 91 -25.736 6.189 1.915 1.00 0.00 C ATOM 1418 O SER A 91 -25.561 6.885 0.920 1.00 0.00 O ATOM 1419 CB SER A 91 -24.216 7.422 3.450 1.00 0.00 C ATOM 1420 OG SER A 91 -23.223 7.327 4.457 1.00 0.00 O ATOM 0 H SER A 91 -23.121 5.645 1.583 1.00 0.00 H new ATOM 0 HA SER A 91 -25.057 5.467 3.800 1.00 0.00 H new ATOM 0 HB2 SER A 91 -23.831 8.000 2.610 1.00 0.00 H new ATOM 0 HB3 SER A 91 -25.081 7.960 3.838 1.00 0.00 H new ATOM 0 HG SER A 91 -22.964 8.227 4.747 1.00 0.00 H new ATOM 1426 N CYS A 92 -26.867 5.551 2.170 1.00 0.00 N ATOM 1427 CA CYS A 92 -27.985 5.642 1.241 1.00 0.00 C ATOM 1428 C CYS A 92 -28.647 7.005 1.407 1.00 0.00 C ATOM 1429 O CYS A 92 -28.998 7.401 2.519 1.00 0.00 O ATOM 1430 CB CYS A 92 -28.988 4.507 1.459 1.00 0.00 C ATOM 1431 SG CYS A 92 -28.351 2.862 0.997 1.00 0.00 S ATOM 0 H CYS A 92 -27.036 4.975 2.995 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.615 5.539 0.221 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -29.282 4.491 2.509 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -29.888 4.714 0.880 1.00 0.00 H new ATOM 1436 N SER A 93 -28.802 7.721 0.296 1.00 0.00 N ATOM 1437 CA SER A 93 -29.380 9.066 0.302 1.00 0.00 C ATOM 1438 C SER A 93 -30.668 9.173 1.112 1.00 0.00 C ATOM 1439 O SER A 93 -31.222 8.182 1.582 1.00 0.00 O ATOM 1440 CB SER A 93 -29.647 9.531 -1.131 1.00 0.00 C ATOM 1441 OG SER A 93 -30.374 8.557 -1.856 1.00 0.00 O ATOM 0 H SER A 93 -28.533 7.389 -0.630 1.00 0.00 H new ATOM 0 HA SER A 93 -28.644 9.708 0.785 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.204 10.468 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 93 -28.701 9.732 -1.634 1.00 0.00 H new ATOM 0 HG SER A 93 -30.533 8.879 -2.768 1.00 0.00 H new ATOM 1447 N GLU A 94 -31.124 10.417 1.248 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.339 10.762 1.982 1.00 0.00 C ATOM 1449 C GLU A 94 -33.426 9.696 1.897 1.00 0.00 C ATOM 1450 O GLU A 94 -33.621 8.925 2.838 1.00 0.00 O ATOM 1451 CB GLU A 94 -32.876 12.098 1.465 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.267 12.439 1.969 1.00 0.00 C ATOM 1453 CD GLU A 94 -34.320 12.608 3.475 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -34.553 11.603 4.178 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -34.128 13.748 3.951 1.00 0.00 O ATOM 0 H GLU A 94 -30.652 11.226 0.845 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.066 10.835 3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.189 12.892 1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -32.891 12.075 0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -34.606 13.359 1.492 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.960 11.652 1.671 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.139 9.660 0.782 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.241 8.726 0.621 1.00 0.00 C ATOM 1464 C GLY A 95 -34.837 7.269 0.537 1.00 0.00 C ATOM 1465 O GLY A 95 -35.561 6.472 -0.054 1.00 0.00 O ATOM 0 H GLY A 95 -33.975 10.265 -0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -35.928 8.850 1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -35.791 8.988 -0.283 1.00 0.00 H new ATOM 1469 N PHE A 96 -33.709 6.900 1.133 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.265 5.504 1.108 1.00 0.00 C ATOM 1471 C PHE A 96 -32.355 5.180 2.291 1.00 0.00 C ATOM 1472 O PHE A 96 -31.705 6.060 2.854 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.507 5.198 -0.196 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.218 5.629 -1.450 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.221 4.846 -1.997 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -32.888 6.820 -2.077 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -34.883 5.241 -3.143 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -33.546 7.220 -3.226 1.00 0.00 C ATOM 1479 CZ PHE A 96 -34.544 6.429 -3.759 1.00 0.00 C ATOM 0 H PHE A 96 -33.089 7.536 1.635 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.161 4.886 1.171 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.534 5.688 -0.159 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -32.321 4.125 -0.250 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -34.489 3.914 -1.521 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -32.108 7.443 -1.664 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -35.665 4.621 -3.557 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -33.279 8.150 -3.706 1.00 0.00 H new ATOM 0 HZ PHE A 96 -35.059 6.739 -4.656 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.321 3.900 2.661 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.476 3.430 3.754 1.00 0.00 C ATOM 1491 C PHE A 97 -30.561 2.322 3.253 1.00 0.00 C ATOM 1492 O PHE A 97 -30.742 1.796 2.155 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.325 2.958 4.943 1.00 0.00 C ATOM 1494 CG PHE A 97 -32.989 1.623 4.755 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -34.036 1.472 3.860 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.577 0.523 5.490 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -34.657 0.247 3.700 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.196 -0.703 5.337 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.237 -0.841 4.440 1.00 0.00 C ATOM 0 H PHE A 97 -32.873 3.167 2.215 1.00 0.00 H new ATOM 0 HA PHE A 97 -30.860 4.258 4.106 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -31.690 2.911 5.828 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -33.093 3.705 5.142 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.371 2.320 3.281 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -31.762 0.625 6.191 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -35.470 0.141 2.997 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -32.866 -1.552 5.918 1.00 0.00 H new ATOM 0 HZ PHE A 97 -34.722 -1.798 4.317 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.587 1.969 4.082 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.614 0.954 3.710 1.00 0.00 C ATOM 1511 C LEU A 98 -29.070 -0.450 4.078 1.00 0.00 C ATOM 1512 O LEU A 98 -29.687 -0.674 5.120 1.00 0.00 O ATOM 1513 CB LEU A 98 -27.264 1.244 4.354 1.00 0.00 C ATOM 1514 CG LEU A 98 -26.095 0.474 3.739 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -24.804 1.248 3.913 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -25.982 -0.909 4.358 1.00 0.00 C ATOM 0 H LEU A 98 -29.451 2.369 5.011 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.517 0.995 2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -27.060 2.312 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -27.322 1.005 5.416 1.00 0.00 H new ATOM 0 HG LEU A 98 -26.282 0.354 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -23.981 0.687 3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -24.891 2.216 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -24.610 1.399 4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -25.145 -1.442 3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -25.817 -0.815 5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -26.903 -1.464 4.180 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.747 -1.388 3.196 1.00 0.00 N ATOM 1529 CA ILE A 99 -29.068 -2.802 3.362 1.00 0.00 C ATOM 1530 C ILE A 99 -28.119 -3.624 2.512 1.00 0.00 C ATOM 1531 O ILE A 99 -28.312 -3.810 1.312 1.00 0.00 O ATOM 1532 CB ILE A 99 -30.502 -3.127 2.900 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -31.305 -1.844 2.722 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -31.180 -4.061 3.888 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.556 -2.015 1.890 1.00 0.00 C ATOM 0 H ILE A 99 -28.246 -1.185 2.331 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.976 -3.037 4.422 1.00 0.00 H new ATOM 0 HB ILE A 99 -30.453 -3.634 1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -31.583 -1.462 3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -30.670 -1.091 2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -32.192 -4.280 3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -30.612 -4.989 3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -31.223 -3.585 4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -33.073 -1.059 1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -32.286 -2.367 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -33.213 -2.743 2.366 1.00 0.00 H new ATOM 1547 N GLY A 100 -27.082 -4.105 3.182 1.00 0.00 N ATOM 1548 CA GLY A 100 -26.054 -4.898 2.544 1.00 0.00 C ATOM 1549 C GLY A 100 -24.888 -5.143 3.478 1.00 0.00 C ATOM 1550 O GLY A 100 -24.562 -6.283 3.809 1.00 0.00 O ATOM 0 H GLY A 100 -26.934 -3.954 4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -26.474 -5.852 2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.703 -4.388 1.647 1.00 0.00 H new ATOM 1554 N SER A 101 -24.278 -4.044 3.902 1.00 0.00 N ATOM 1555 CA SER A 101 -23.134 -4.054 4.804 1.00 0.00 C ATOM 1556 C SER A 101 -22.568 -2.646 4.868 1.00 0.00 C ATOM 1557 O SER A 101 -21.893 -2.205 3.937 1.00 0.00 O ATOM 1558 CB SER A 101 -22.057 -5.029 4.317 1.00 0.00 C ATOM 1559 OG SER A 101 -20.961 -5.070 5.215 1.00 0.00 O ATOM 0 H SER A 101 -24.569 -3.106 3.625 1.00 0.00 H new ATOM 0 HA SER A 101 -23.455 -4.383 5.793 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.485 -6.026 4.215 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.710 -4.728 3.329 1.00 0.00 H new ATOM 0 HG SER A 101 -20.258 -4.464 4.900 1.00 0.00 H new ATOM 1565 N THR A 102 -22.845 -1.928 5.954 1.00 0.00 N ATOM 1566 CA THR A 102 -22.384 -0.553 6.091 1.00 0.00 C ATOM 1567 C THR A 102 -20.871 -0.473 6.258 1.00 0.00 C ATOM 1568 O THR A 102 -20.346 0.531 6.742 1.00 0.00 O ATOM 1569 CB THR A 102 -23.045 0.152 7.292 1.00 0.00 C ATOM 1570 OG1 THR A 102 -22.647 -0.484 8.513 1.00 0.00 O ATOM 1571 CG2 THR A 102 -24.561 0.125 7.178 1.00 0.00 C ATOM 0 H THR A 102 -23.384 -2.275 6.747 1.00 0.00 H new ATOM 0 HA THR A 102 -22.671 -0.049 5.168 1.00 0.00 H new ATOM 0 HB THR A 102 -22.716 1.191 7.294 1.00 0.00 H new ATOM 0 HG1 THR A 102 -23.070 -0.029 9.271 1.00 0.00 H new ATOM 0 HG21 THR A 102 -25.000 0.629 8.039 1.00 0.00 H new ATOM 0 HG22 THR A 102 -24.866 0.635 6.264 1.00 0.00 H new ATOM 0 HG23 THR A 102 -24.905 -0.909 7.149 1.00 0.00 H new ATOM 1579 N THR A 103 -20.172 -1.523 5.851 1.00 0.00 N ATOM 1580 CA THR A 103 -18.729 -1.569 5.944 1.00 0.00 C ATOM 1581 C THR A 103 -18.188 -2.375 4.780 1.00 0.00 C ATOM 1582 O THR A 103 -18.877 -3.248 4.251 1.00 0.00 O ATOM 1583 CB THR A 103 -18.260 -2.186 7.268 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.867 -3.469 7.458 1.00 0.00 O ATOM 1585 CG2 THR A 103 -18.599 -1.274 8.434 1.00 0.00 C ATOM 0 H THR A 103 -20.592 -2.361 5.449 1.00 0.00 H new ATOM 0 HA THR A 103 -18.350 -0.548 5.909 1.00 0.00 H new ATOM 0 HB THR A 103 -17.178 -2.307 7.225 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.559 -3.854 8.305 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.258 -1.730 9.364 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.105 -0.312 8.299 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.678 -1.125 8.477 1.00 0.00 H new ATOM 1593 N SER A 104 -16.963 -2.088 4.378 1.00 0.00 N ATOM 1594 CA SER A 104 -16.325 -2.827 3.306 1.00 0.00 C ATOM 1595 C SER A 104 -14.842 -2.952 3.614 1.00 0.00 C ATOM 1596 O SER A 104 -14.129 -1.954 3.684 1.00 0.00 O ATOM 1597 CB SER A 104 -16.541 -2.136 1.959 1.00 0.00 C ATOM 1598 OG SER A 104 -16.019 -2.915 0.896 1.00 0.00 O ATOM 0 H SER A 104 -16.390 -1.346 4.780 1.00 0.00 H new ATOM 0 HA SER A 104 -16.770 -3.819 3.237 1.00 0.00 H new ATOM 0 HB2 SER A 104 -17.606 -1.966 1.801 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.060 -1.158 1.967 1.00 0.00 H new ATOM 0 HG SER A 104 -15.113 -2.609 0.680 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.384 -4.181 3.798 1.00 0.00 N ATOM 1605 CA ARG A 105 -12.988 -4.448 4.126 1.00 0.00 C ATOM 1606 C ARG A 105 -12.234 -4.999 2.925 1.00 0.00 C ATOM 1607 O ARG A 105 -12.795 -5.145 1.841 1.00 0.00 O ATOM 1608 CB ARG A 105 -12.913 -5.437 5.288 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.690 -4.986 6.510 1.00 0.00 C ATOM 1610 CD ARG A 105 -12.852 -4.085 7.395 1.00 0.00 C ATOM 1611 NE ARG A 105 -11.661 -4.765 7.894 1.00 0.00 N ATOM 1612 CZ ARG A 105 -10.954 -4.344 8.938 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -11.321 -3.255 9.598 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -9.877 -5.013 9.324 1.00 0.00 N ATOM 0 H ARG A 105 -14.963 -5.017 3.725 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.519 -3.507 4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.295 -6.403 4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.869 -5.585 5.564 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -14.590 -4.456 6.196 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.015 -5.857 7.079 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.555 -3.199 6.833 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.454 -3.742 8.237 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.354 -5.611 7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.149 -2.736 9.305 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -10.775 -2.936 10.399 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.590 -5.852 8.820 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -9.335 -4.689 10.125 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.961 -5.316 3.130 1.00 0.00 N ATOM 1629 CA CYS A 106 -10.127 -5.841 2.060 1.00 0.00 C ATOM 1630 C CYS A 106 -9.401 -7.114 2.481 1.00 0.00 C ATOM 1631 O CYS A 106 -8.596 -7.108 3.411 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.109 -4.790 1.618 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.783 -3.529 0.490 1.00 0.00 S ATOM 0 H CYS A 106 -10.486 -5.218 4.027 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.784 -6.088 1.226 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -8.708 -4.294 2.502 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.275 -5.292 1.128 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.708 -8.203 1.788 1.00 0.00 N ATOM 1639 CA GLU A 107 -9.120 -9.500 2.075 1.00 0.00 C ATOM 1640 C GLU A 107 -8.263 -9.947 0.901 1.00 0.00 C ATOM 1641 O GLU A 107 -8.345 -9.376 -0.179 1.00 0.00 O ATOM 1642 CB GLU A 107 -10.235 -10.515 2.343 1.00 0.00 C ATOM 1643 CG GLU A 107 -9.740 -11.904 2.707 1.00 0.00 C ATOM 1644 CD GLU A 107 -8.982 -11.929 4.021 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -9.626 -12.118 5.074 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -7.745 -11.760 3.996 1.00 0.00 O ATOM 0 H GLU A 107 -10.371 -8.210 1.013 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.487 -9.429 2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.863 -10.142 3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.866 -10.587 1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.590 -12.583 2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.093 -12.275 1.912 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.451 -10.972 1.103 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.596 -11.444 0.024 1.00 0.00 C ATOM 1655 C VAL A 108 -6.775 -12.927 -0.263 1.00 0.00 C ATOM 1656 O VAL A 108 -6.687 -13.773 0.627 1.00 0.00 O ATOM 1657 CB VAL A 108 -5.110 -11.157 0.296 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -4.262 -11.745 -0.814 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.863 -9.667 0.395 1.00 0.00 C ATOM 0 H VAL A 108 -7.365 -11.483 1.981 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.911 -10.884 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.836 -11.618 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.210 -11.539 -0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.418 -12.823 -0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.547 -11.297 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.806 -9.485 0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.149 -9.188 -0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.457 -9.253 1.210 1.00 0.00 H new ATOM 1669 N GLN A 109 -7.028 -13.216 -1.534 1.00 0.00 N ATOM 1670 CA GLN A 109 -7.211 -14.585 -1.989 1.00 0.00 C ATOM 1671 C GLN A 109 -6.170 -14.955 -3.043 1.00 0.00 C ATOM 1672 O GLN A 109 -6.339 -14.660 -4.226 1.00 0.00 O ATOM 1673 CB GLN A 109 -8.619 -14.762 -2.560 1.00 0.00 C ATOM 1674 CG GLN A 109 -9.674 -13.918 -1.855 1.00 0.00 C ATOM 1675 CD GLN A 109 -11.046 -14.049 -2.485 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -11.170 -14.335 -3.677 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -12.089 -13.823 -1.692 1.00 0.00 N ATOM 0 H GLN A 109 -7.111 -12.515 -2.270 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.083 -15.249 -1.134 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.608 -14.504 -3.619 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.901 -15.813 -2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.730 -14.215 -0.808 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.369 -12.872 -1.874 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.942 -13.589 -0.710 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -13.036 -13.884 -2.065 1.00 0.00 H new ATOM 1686 N ASP A 110 -5.093 -15.599 -2.600 1.00 0.00 N ATOM 1687 CA ASP A 110 -4.018 -16.013 -3.495 1.00 0.00 C ATOM 1688 C ASP A 110 -3.449 -14.827 -4.270 1.00 0.00 C ATOM 1689 O ASP A 110 -2.666 -14.041 -3.736 1.00 0.00 O ATOM 1690 CB ASP A 110 -4.518 -17.090 -4.457 1.00 0.00 C ATOM 1691 CG ASP A 110 -4.734 -18.426 -3.773 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -3.769 -19.217 -3.699 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -5.866 -18.681 -3.312 1.00 0.00 O ATOM 0 H ASP A 110 -4.942 -15.846 -1.622 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.214 -16.427 -2.886 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -5.454 -16.762 -4.910 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.798 -17.212 -5.266 1.00 0.00 H new ATOM 1698 N ARG A 111 -3.847 -14.703 -5.532 1.00 0.00 N ATOM 1699 CA ARG A 111 -3.374 -13.621 -6.382 1.00 0.00 C ATOM 1700 C ARG A 111 -4.403 -12.499 -6.476 1.00 0.00 C ATOM 1701 O ARG A 111 -4.393 -11.715 -7.426 1.00 0.00 O ATOM 1702 CB ARG A 111 -3.051 -14.150 -7.781 1.00 0.00 C ATOM 1703 CG ARG A 111 -4.238 -14.800 -8.472 1.00 0.00 C ATOM 1704 CD ARG A 111 -3.899 -15.214 -9.896 1.00 0.00 C ATOM 1705 NE ARG A 111 -3.545 -14.068 -10.730 1.00 0.00 N ATOM 1706 CZ ARG A 111 -3.498 -14.108 -12.058 1.00 0.00 C ATOM 1707 NH1 ARG A 111 -3.776 -15.234 -12.703 1.00 0.00 N ATOM 1708 NH2 ARG A 111 -3.171 -13.021 -12.743 1.00 0.00 N ATOM 0 H ARG A 111 -4.498 -15.342 -5.988 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.468 -13.215 -5.932 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -2.688 -13.327 -8.397 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -2.241 -14.876 -7.708 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.556 -15.674 -7.904 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.078 -14.105 -8.485 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -3.069 -15.921 -9.880 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -4.751 -15.733 -10.335 1.00 0.00 H new ATOM 0 HE ARG A 111 -3.321 -13.187 -10.267 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -4.027 -16.073 -12.180 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -3.739 -15.261 -13.722 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -2.955 -12.154 -12.251 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.135 -13.052 -13.762 1.00 0.00 H new ATOM 1722 N GLY A 112 -5.282 -12.421 -5.484 1.00 0.00 N ATOM 1723 CA GLY A 112 -6.298 -11.387 -5.477 1.00 0.00 C ATOM 1724 C GLY A 112 -6.464 -10.756 -4.121 1.00 0.00 C ATOM 1725 O GLY A 112 -5.973 -11.280 -3.124 1.00 0.00 O ATOM 0 H GLY A 112 -5.309 -13.055 -4.685 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.035 -10.618 -6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.249 -11.814 -5.795 1.00 0.00 H new ATOM 1729 N VAL A 113 -7.153 -9.624 -4.079 1.00 0.00 N ATOM 1730 CA VAL A 113 -7.351 -8.921 -2.827 1.00 0.00 C ATOM 1731 C VAL A 113 -8.329 -7.771 -2.957 1.00 0.00 C ATOM 1732 O VAL A 113 -8.575 -7.253 -4.046 1.00 0.00 O ATOM 1733 CB VAL A 113 -6.013 -8.355 -2.304 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -5.165 -7.859 -3.463 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -6.227 -7.243 -1.286 1.00 0.00 C ATOM 0 H VAL A 113 -7.579 -9.179 -4.892 1.00 0.00 H new ATOM 0 HA VAL A 113 -7.759 -9.652 -2.130 1.00 0.00 H new ATOM 0 HB VAL A 113 -5.487 -9.164 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.224 -7.462 -3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.961 -8.685 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.701 -7.073 -3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.261 -6.873 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.785 -6.429 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.789 -7.631 -0.436 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.879 -7.390 -1.818 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.770 -6.266 -1.813 1.00 0.00 C ATOM 1747 C GLY A 114 -11.127 -6.527 -1.195 1.00 0.00 C ATOM 1748 O GLY A 114 -11.306 -7.472 -0.429 1.00 0.00 O ATOM 0 H GLY A 114 -8.725 -7.834 -0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.294 -5.447 -1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.914 -5.931 -2.840 1.00 0.00 H new ATOM 1752 N TRP A 115 -12.085 -5.679 -1.543 1.00 0.00 N ATOM 1753 CA TRP A 115 -13.435 -5.769 -1.001 1.00 0.00 C ATOM 1754 C TRP A 115 -14.111 -7.081 -1.378 1.00 0.00 C ATOM 1755 O TRP A 115 -14.021 -7.535 -2.519 1.00 0.00 O ATOM 1756 CB TRP A 115 -14.283 -4.591 -1.487 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.492 -3.336 -1.696 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -13.107 -2.807 -2.892 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -12.981 -2.455 -0.687 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.389 -1.654 -2.691 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -12.297 -1.417 -1.346 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.034 -2.444 0.709 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -11.675 -0.380 -0.658 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -12.415 -1.412 1.390 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -11.743 -0.393 0.707 1.00 0.00 C ATOM 0 H TRP A 115 -11.951 -4.914 -2.204 1.00 0.00 H new ATOM 0 HA TRP A 115 -13.352 -5.734 0.085 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -14.770 -4.865 -2.423 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -15.073 -4.397 -0.761 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -13.334 -3.233 -3.858 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -11.989 -1.069 -3.425 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -13.549 -3.227 1.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -11.156 0.408 -1.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -12.451 -1.392 2.469 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -11.269 0.398 1.269 1.00 0.00 H new ATOM 1776 N SER A 116 -14.790 -7.684 -0.407 1.00 0.00 N ATOM 1777 CA SER A 116 -15.500 -8.936 -0.630 1.00 0.00 C ATOM 1778 C SER A 116 -16.862 -8.658 -1.265 1.00 0.00 C ATOM 1779 O SER A 116 -17.365 -9.453 -2.058 1.00 0.00 O ATOM 1780 CB SER A 116 -15.680 -9.686 0.692 1.00 0.00 C ATOM 1781 OG SER A 116 -14.441 -9.852 1.360 1.00 0.00 O ATOM 0 H SER A 116 -14.863 -7.323 0.544 1.00 0.00 H new ATOM 0 HA SER A 116 -14.913 -9.557 -1.307 1.00 0.00 H new ATOM 0 HB2 SER A 116 -16.371 -9.138 1.333 1.00 0.00 H new ATOM 0 HB3 SER A 116 -16.127 -10.662 0.502 1.00 0.00 H new ATOM 0 HG SER A 116 -14.585 -10.332 2.202 1.00 0.00 H new ATOM 1787 N HIS A 117 -17.449 -7.515 -0.904 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.750 -7.107 -1.431 1.00 0.00 C ATOM 1789 C HIS A 117 -19.003 -5.624 -1.149 1.00 0.00 C ATOM 1790 O HIS A 117 -19.254 -5.240 -0.007 1.00 0.00 O ATOM 1791 CB HIS A 117 -19.870 -7.943 -0.812 1.00 0.00 C ATOM 1792 CG HIS A 117 -21.216 -7.675 -1.411 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -22.136 -6.820 -0.842 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -21.796 -8.152 -2.538 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -23.223 -6.782 -1.593 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -23.041 -7.581 -2.629 1.00 0.00 N ATOM 0 H HIS A 117 -17.040 -6.853 -0.245 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.741 -7.269 -2.509 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -19.632 -9.000 -0.931 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -19.912 -7.744 0.259 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -21.360 -8.852 -3.236 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -24.109 -6.197 -1.394 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -23.716 -7.747 -3.375 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.937 -4.773 -2.188 1.00 0.00 N ATOM 1806 CA PRO A 118 -19.148 -3.340 -2.055 1.00 0.00 C ATOM 1807 C PRO A 118 -20.574 -2.907 -2.382 1.00 0.00 C ATOM 1808 O PRO A 118 -21.476 -3.739 -2.472 1.00 0.00 O ATOM 1809 CB PRO A 118 -18.171 -2.782 -3.087 1.00 0.00 C ATOM 1810 CG PRO A 118 -18.052 -3.845 -4.144 1.00 0.00 C ATOM 1811 CD PRO A 118 -18.633 -5.123 -3.579 1.00 0.00 C ATOM 0 HA PRO A 118 -18.992 -2.991 -1.034 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -18.539 -1.847 -3.510 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -17.203 -2.568 -2.635 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -18.586 -3.548 -5.047 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -17.009 -3.990 -4.424 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -19.527 -5.431 -4.120 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -17.923 -5.948 -3.640 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.749 -1.595 -2.569 1.00 0.00 N ATOM 1820 CA LEU A 119 -22.035 -0.987 -2.891 1.00 0.00 C ATOM 1821 C LEU A 119 -23.232 -1.805 -2.393 1.00 0.00 C ATOM 1822 O LEU A 119 -23.629 -2.786 -3.024 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.119 -0.784 -4.396 1.00 0.00 C ATOM 1824 CG LEU A 119 -20.853 -0.219 -5.053 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -21.110 0.093 -6.516 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.373 1.021 -4.313 1.00 0.00 C ATOM 0 H LEU A 119 -19.988 -0.920 -2.499 1.00 0.00 H new ATOM 0 HA LEU A 119 -22.088 -0.030 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -22.355 -1.741 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -22.950 -0.112 -4.610 1.00 0.00 H new ATOM 0 HG LEU A 119 -20.068 -0.973 -4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -20.202 0.493 -6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -21.403 -0.819 -7.036 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -21.910 0.829 -6.596 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -19.474 1.407 -4.794 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -21.152 1.783 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -20.148 0.763 -3.278 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.837 -1.395 -1.260 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.995 -2.087 -0.683 1.00 0.00 C ATOM 1840 C PRO A 120 -26.277 -1.813 -1.463 1.00 0.00 C ATOM 1841 O PRO A 120 -26.233 -1.311 -2.586 1.00 0.00 O ATOM 1842 CB PRO A 120 -25.089 -1.496 0.723 1.00 0.00 C ATOM 1843 CG PRO A 120 -24.518 -0.127 0.591 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.439 -0.224 -0.454 1.00 0.00 C ATOM 0 HA PRO A 120 -24.877 -3.171 -0.699 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -26.121 -1.464 1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.528 -2.092 1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -25.285 0.588 0.294 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -24.111 0.219 1.541 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.386 0.680 -1.060 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.456 -0.363 -0.003 1.00 0.00 H new ATOM 1852 N GLN A 121 -27.421 -2.145 -0.868 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.718 -1.938 -1.505 1.00 0.00 C ATOM 1854 C GLN A 121 -29.441 -0.737 -0.902 1.00 0.00 C ATOM 1855 O GLN A 121 -29.774 -0.737 0.283 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.590 -3.183 -1.336 1.00 0.00 C ATOM 1857 CG GLN A 121 -30.802 -3.210 -2.254 1.00 0.00 C ATOM 1858 CD GLN A 121 -30.475 -3.725 -3.640 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -30.109 -2.959 -4.532 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -30.611 -5.033 -3.827 1.00 0.00 N ATOM 0 H GLN A 121 -27.475 -2.562 0.062 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.543 -1.748 -2.564 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.983 -4.069 -1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.928 -3.241 -0.301 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -31.574 -3.838 -1.810 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -31.215 -2.204 -2.333 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -30.917 -5.629 -3.058 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -30.409 -5.441 -4.740 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.681 0.284 -1.718 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.382 1.471 -1.241 1.00 0.00 C ATOM 1871 C CYS A 122 -31.841 1.449 -1.693 1.00 0.00 C ATOM 1872 O CYS A 122 -32.143 1.646 -2.871 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.685 2.741 -1.730 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.032 3.003 -1.004 1.00 0.00 S ATOM 0 H CYS A 122 -29.405 0.315 -2.699 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.360 1.468 -0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.592 2.698 -2.815 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.313 3.601 -1.498 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.736 1.204 -0.741 1.00 0.00 N ATOM 1880 CA GLU A 123 -34.170 1.144 -1.010 1.00 0.00 C ATOM 1881 C GLU A 123 -34.906 2.167 -0.154 1.00 0.00 C ATOM 1882 O GLU A 123 -34.557 2.410 1.001 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.707 -0.260 -0.722 1.00 0.00 C ATOM 1884 CG GLU A 123 -36.196 -0.409 -0.993 1.00 0.00 C ATOM 1885 CD GLU A 123 -36.688 -1.829 -0.790 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -36.626 -2.621 -1.754 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -37.134 -2.148 0.331 1.00 0.00 O ATOM 0 H GLU A 123 -32.490 1.042 0.235 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.337 1.375 -2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -34.161 -0.981 -1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -34.509 -0.509 0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -36.750 0.261 -0.335 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -36.408 -0.098 -2.016 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.932 2.761 -0.756 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.727 3.790 -0.100 1.00 0.00 C ATOM 1896 C ILE A 124 -37.553 3.225 1.051 1.00 0.00 C ATOM 1897 O ILE A 124 -38.101 2.127 0.960 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.660 4.490 -1.110 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.474 5.586 -0.422 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.579 3.473 -1.775 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -39.287 6.433 -1.378 1.00 0.00 C ATOM 0 H ILE A 124 -36.233 2.544 -1.706 1.00 0.00 H new ATOM 0 HA ILE A 124 -36.026 4.518 0.309 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.047 4.957 -1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -39.146 5.126 0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -37.797 6.233 0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.231 3.982 -2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -37.979 2.730 -2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.185 2.979 -1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -39.837 7.188 -0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -38.620 6.922 -2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -39.990 5.799 -1.918 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.632 3.992 2.135 1.00 0.00 N ATOM 1914 CA LEU A 125 -38.390 3.587 3.312 1.00 0.00 C ATOM 1915 C LEU A 125 -39.874 3.462 2.982 1.00 0.00 C ATOM 1916 O LEU A 125 -40.466 2.394 3.135 1.00 0.00 O ATOM 1917 CB LEU A 125 -38.189 4.602 4.440 1.00 0.00 C ATOM 1918 CG LEU A 125 -36.739 4.798 4.892 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -36.646 5.940 5.893 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -36.183 3.515 5.492 1.00 0.00 C ATOM 0 H LEU A 125 -37.178 4.901 2.221 1.00 0.00 H new ATOM 0 HA LEU A 125 -38.025 2.613 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -38.585 5.564 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -38.781 4.288 5.299 1.00 0.00 H new ATOM 0 HG LEU A 125 -36.139 5.052 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -35.609 6.067 6.205 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -37.001 6.860 5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -37.261 5.712 6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -35.152 3.677 5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -36.784 3.226 6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -36.214 2.721 4.746 1.00 0.00 H new