USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 770 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 91 LYS NZ :NH3+ -168:sc= 1.06 (180deg=-0.347) USER MOD Set 1.2: A 93 TYR OH : rot -36:sc= -0.204 USER MOD Set 2.1: A 83 TYR OH : rot 132:sc= 0.137 USER MOD Set 2.2: A 85 LYS NZ :NH3+ 172:sc= 1.07 (180deg=0.139) USER MOD Set 2.3: A 94 TYR OH : rot 180:sc= 0.805 USER MOD Set 3.1: A 52 ASN : amide:sc= -0.238 K(o=0.68,f=-4.2) USER MOD Set 3.2: A 77 LYS NZ :NH3+ 173:sc= 0.919 (180deg=0) USER MOD Set 4.1: A 13 SER OG : rot -78:sc= 1.29 USER MOD Set 4.2: A 24 LYS NZ :NH3+ -133:sc= 0.3 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -93:sc= 0.0459 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00125 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 140:sc= 1.25 USER MOD Single : A 8 SER OG : rot 155:sc= 0.291 USER MOD Single : A 10 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.011) USER MOD Single : A 14 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 16 TYR OH : rot -124:sc= 0.858 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 81:sc= 0.774 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0278 K(o=-0.028,f=-5!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -109:sc= -0.808 (180deg=-0.94!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -3.28! USER MOD Single : A 40 TYR OH : rot 180:sc= -0.696 USER MOD Single : A 44 SER OG : rot -27:sc= 0.0112 USER MOD Single : A 46 ASN : amide:sc= -0.251 K(o=-0.25,f=-1.9) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 50 ASN : amide:sc= -0.894 K(o=-0.89,f=-12!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.077 USER MOD Single : A 66 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.1) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.269 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -139:sc= 1.12 (180deg=0.554) USER MOD Single : A 86 TYR OH : rot 97:sc= 0.975 USER MOD Single : A 89 SER OG : rot -44:sc= 0.613 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0125 USER MOD Single : A 96 ASN : amide:sc= -0.227 K(o=-0.23,f=-4.3!) USER MOD Single : A 97 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.0065) USER MOD Single : A 98 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.8!) USER MOD Single : A 99 SER OG : rot -15:sc= 0.857 USER MOD Single : A 101 ASN : amide:sc= 1.18 K(o=1.2,f=-1.6) USER MOD Single : A 102 TYR OH : rot 65:sc= 1.15 USER MOD Single : A 103 GLN : amide:sc= -2.13 K(o=-2.1,f=-0.3) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0692 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.128 17.773 12.817 1.00 0.00 N ATOM 2 CA ALA A 1 -9.631 16.384 12.907 1.00 0.00 C ATOM 3 C ALA A 1 -8.523 16.160 11.897 1.00 0.00 C ATOM 4 O ALA A 1 -8.485 16.799 10.843 1.00 0.00 O ATOM 5 CB ALA A 1 -10.754 15.388 12.688 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.616 18.370 13.498 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.974 18.135 11.854 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.145 17.793 13.035 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.233 16.228 13.910 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.360 14.374 12.760 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.522 15.533 13.447 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.187 15.540 11.699 1.00 0.00 H new ATOM 13 N SER A 2 -7.631 15.248 12.222 1.00 0.00 N ATOM 14 CA SER A 2 -6.491 14.967 11.375 1.00 0.00 C ATOM 15 C SER A 2 -6.748 13.748 10.497 1.00 0.00 C ATOM 16 O SER A 2 -7.209 12.706 10.970 1.00 0.00 O ATOM 17 CB SER A 2 -5.242 14.762 12.236 1.00 0.00 C ATOM 18 OG SER A 2 -5.460 13.806 13.260 1.00 0.00 O ATOM 0 H SER A 2 -7.674 14.686 13.072 1.00 0.00 H new ATOM 0 HA SER A 2 -6.329 15.820 10.716 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.415 14.437 11.605 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.948 15.712 12.682 1.00 0.00 H new ATOM 0 HG SER A 2 -4.641 13.700 13.788 1.00 0.00 H new ATOM 24 N ILE A 3 -6.487 13.913 9.205 1.00 0.00 N ATOM 25 CA ILE A 3 -6.570 12.819 8.246 1.00 0.00 C ATOM 26 C ILE A 3 -5.560 11.708 8.576 1.00 0.00 C ATOM 27 O ILE A 3 -5.928 10.534 8.598 1.00 0.00 O ATOM 28 CB ILE A 3 -6.332 13.310 6.799 1.00 0.00 C ATOM 29 CG1 ILE A 3 -7.240 14.500 6.479 1.00 0.00 C ATOM 30 CG2 ILE A 3 -6.562 12.183 5.804 1.00 0.00 C ATOM 31 CD1 ILE A 3 -8.714 14.217 6.666 1.00 0.00 C ATOM 0 H ILE A 3 -6.213 14.806 8.795 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.580 12.417 8.319 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.295 13.635 6.715 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.958 15.340 7.114 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.068 14.808 5.448 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.389 12.550 4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.874 11.365 6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.588 11.825 5.890 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.290 15.109 6.419 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.013 13.399 6.011 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.902 13.939 7.703 1.00 0.00 H new ATOM 43 N PRO A 4 -4.269 12.052 8.821 1.00 0.00 N ATOM 44 CA PRO A 4 -3.262 11.067 9.234 1.00 0.00 C ATOM 45 C PRO A 4 -3.679 10.307 10.486 1.00 0.00 C ATOM 46 O PRO A 4 -4.244 10.884 11.418 1.00 0.00 O ATOM 47 CB PRO A 4 -2.018 11.910 9.523 1.00 0.00 C ATOM 48 CG PRO A 4 -2.202 13.146 8.716 1.00 0.00 C ATOM 49 CD PRO A 4 -3.680 13.403 8.689 1.00 0.00 C ATOM 0 HA PRO A 4 -3.108 10.308 8.467 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -1.934 12.140 10.585 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -1.108 11.383 9.238 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.668 13.986 9.160 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -1.810 13.016 7.707 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.989 14.057 9.505 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -3.986 13.885 7.761 1.00 0.00 H new ATOM 57 N SER A 5 -3.400 9.018 10.508 1.00 0.00 N ATOM 58 CA SER A 5 -3.774 8.186 11.635 1.00 0.00 C ATOM 59 C SER A 5 -2.578 7.359 12.092 1.00 0.00 C ATOM 60 O SER A 5 -2.040 7.578 13.179 1.00 0.00 O ATOM 61 CB SER A 5 -4.951 7.282 11.256 1.00 0.00 C ATOM 62 OG SER A 5 -5.511 6.654 12.396 1.00 0.00 O ATOM 0 H SER A 5 -2.916 8.524 9.758 1.00 0.00 H new ATOM 0 HA SER A 5 -4.087 8.824 12.462 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.716 7.872 10.751 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.616 6.523 10.549 1.00 0.00 H new ATOM 0 HG SER A 5 -6.261 6.086 12.121 1.00 0.00 H new ATOM 68 N SER A 6 -2.149 6.429 11.251 1.00 0.00 N ATOM 69 CA SER A 6 -1.007 5.592 11.571 1.00 0.00 C ATOM 70 C SER A 6 0.285 6.261 11.106 1.00 0.00 C ATOM 71 O SER A 6 1.089 6.711 11.925 1.00 0.00 O ATOM 72 CB SER A 6 -1.164 4.207 10.934 1.00 0.00 C ATOM 73 OG SER A 6 -0.089 3.355 11.283 1.00 0.00 O ATOM 0 H SER A 6 -2.575 6.237 10.344 1.00 0.00 H new ATOM 0 HA SER A 6 -0.957 5.465 12.652 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.104 3.760 11.257 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.214 4.307 9.850 1.00 0.00 H new ATOM 0 HG SER A 6 -0.430 2.454 11.460 1.00 0.00 H new ATOM 79 N ALA A 7 0.470 6.349 9.796 1.00 0.00 N ATOM 80 CA ALA A 7 1.662 6.946 9.230 1.00 0.00 C ATOM 81 C ALA A 7 1.295 7.935 8.130 1.00 0.00 C ATOM 82 O ALA A 7 0.161 8.415 8.076 1.00 0.00 O ATOM 83 CB ALA A 7 2.553 5.850 8.681 1.00 0.00 C ATOM 0 H ALA A 7 -0.199 6.010 9.104 1.00 0.00 H new ATOM 0 HA ALA A 7 2.196 7.492 10.008 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.453 6.293 8.253 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.831 5.170 9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.017 5.298 7.908 1.00 0.00 H new ATOM 89 N SER A 8 2.251 8.227 7.249 1.00 0.00 N ATOM 90 CA SER A 8 2.008 9.108 6.116 1.00 0.00 C ATOM 91 C SER A 8 0.964 8.491 5.206 1.00 0.00 C ATOM 92 O SER A 8 0.164 9.187 4.577 1.00 0.00 O ATOM 93 CB SER A 8 3.306 9.337 5.340 1.00 0.00 C ATOM 94 OG SER A 8 4.293 9.918 6.174 1.00 0.00 O ATOM 0 H SER A 8 3.202 7.863 7.302 1.00 0.00 H new ATOM 0 HA SER A 8 1.644 10.068 6.482 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.670 8.389 4.943 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.115 9.988 4.487 1.00 0.00 H new ATOM 0 HG SER A 8 5.184 9.698 5.829 1.00 0.00 H new ATOM 100 N VAL A 9 0.978 7.174 5.156 1.00 0.00 N ATOM 101 CA VAL A 9 0.050 6.438 4.351 1.00 0.00 C ATOM 102 C VAL A 9 -0.855 5.583 5.225 1.00 0.00 C ATOM 103 O VAL A 9 -0.483 5.185 6.332 1.00 0.00 O ATOM 104 CB VAL A 9 0.795 5.586 3.302 1.00 0.00 C ATOM 105 CG1 VAL A 9 2.022 4.940 3.892 1.00 0.00 C ATOM 106 CG2 VAL A 9 -0.105 4.526 2.708 1.00 0.00 C ATOM 0 H VAL A 9 1.636 6.593 5.675 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.581 7.145 3.813 1.00 0.00 H new ATOM 0 HB VAL A 9 1.104 6.264 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.524 4.347 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.700 5.712 4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.730 4.293 4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.453 3.945 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.460 3.866 3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.957 5.002 2.223 1.00 0.00 H new ATOM 116 N GLN A 10 -2.055 5.367 4.731 1.00 0.00 N ATOM 117 CA GLN A 10 -3.063 4.597 5.424 1.00 0.00 C ATOM 118 C GLN A 10 -3.894 3.834 4.401 1.00 0.00 C ATOM 119 O GLN A 10 -4.425 4.428 3.465 1.00 0.00 O ATOM 120 CB GLN A 10 -3.946 5.546 6.238 1.00 0.00 C ATOM 121 CG GLN A 10 -5.064 4.867 7.005 1.00 0.00 C ATOM 122 CD GLN A 10 -5.916 5.862 7.767 1.00 0.00 C ATOM 123 OE1 GLN A 10 -6.471 5.547 8.818 1.00 0.00 O ATOM 124 NE2 GLN A 10 -6.027 7.077 7.244 1.00 0.00 N ATOM 0 H GLN A 10 -2.361 5.726 3.826 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.597 3.883 6.103 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.318 6.090 6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.382 6.284 5.564 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.692 4.308 6.311 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.639 4.145 7.702 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.552 7.301 6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.588 7.786 7.716 1.00 0.00 H new ATOM 133 N LEU A 11 -3.992 2.528 4.551 1.00 0.00 N ATOM 134 CA LEU A 11 -4.781 1.731 3.628 1.00 0.00 C ATOM 135 C LEU A 11 -6.264 2.038 3.778 1.00 0.00 C ATOM 136 O LEU A 11 -6.801 2.068 4.887 1.00 0.00 O ATOM 137 CB LEU A 11 -4.564 0.246 3.868 1.00 0.00 C ATOM 138 CG LEU A 11 -5.436 -0.668 3.005 1.00 0.00 C ATOM 139 CD1 LEU A 11 -4.869 -0.782 1.596 1.00 0.00 C ATOM 140 CD2 LEU A 11 -5.567 -2.029 3.659 1.00 0.00 C ATOM 0 H LEU A 11 -3.540 1.998 5.296 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.455 1.987 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.516 0.010 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.759 0.028 4.918 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.431 -0.231 2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.505 -1.437 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.834 0.206 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.862 -1.197 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.189 -2.673 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.579 -2.476 3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.027 -1.918 4.641 1.00 0.00 H new ATOM 152 N ASP A 12 -6.914 2.268 2.647 1.00 0.00 N ATOM 153 CA ASP A 12 -8.344 2.499 2.622 1.00 0.00 C ATOM 154 C ASP A 12 -9.081 1.174 2.677 1.00 0.00 C ATOM 155 O ASP A 12 -9.823 0.899 3.618 1.00 0.00 O ATOM 156 CB ASP A 12 -8.748 3.244 1.353 1.00 0.00 C ATOM 157 CG ASP A 12 -10.203 3.666 1.381 1.00 0.00 C ATOM 158 OD1 ASP A 12 -11.071 2.851 1.003 1.00 0.00 O ATOM 159 OD2 ASP A 12 -10.489 4.812 1.793 1.00 0.00 O ATOM 0 H ASP A 12 -6.467 2.299 1.731 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.607 3.105 3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.117 4.125 1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.572 2.606 0.487 1.00 0.00 H new ATOM 164 N SER A 13 -8.852 0.354 1.660 1.00 0.00 N ATOM 165 CA SER A 13 -9.518 -0.945 1.549 1.00 0.00 C ATOM 166 C SER A 13 -9.015 -1.744 0.346 1.00 0.00 C ATOM 167 O SER A 13 -8.427 -1.191 -0.588 1.00 0.00 O ATOM 168 CB SER A 13 -11.038 -0.749 1.455 1.00 0.00 C ATOM 169 OG SER A 13 -11.371 0.225 0.479 1.00 0.00 O ATOM 0 H SER A 13 -8.209 0.563 0.896 1.00 0.00 H new ATOM 0 HA SER A 13 -9.279 -1.517 2.446 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.515 -1.697 1.204 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.428 -0.443 2.426 1.00 0.00 H new ATOM 0 HG SER A 13 -11.216 1.121 0.845 1.00 0.00 H new ATOM 175 N TYR A 14 -9.241 -3.053 0.400 1.00 0.00 N ATOM 176 CA TYR A 14 -8.890 -3.968 -0.678 1.00 0.00 C ATOM 177 C TYR A 14 -9.841 -5.159 -0.641 1.00 0.00 C ATOM 178 O TYR A 14 -10.480 -5.409 0.382 1.00 0.00 O ATOM 179 CB TYR A 14 -7.428 -4.430 -0.551 1.00 0.00 C ATOM 180 CG TYR A 14 -7.118 -5.204 0.715 1.00 0.00 C ATOM 181 CD1 TYR A 14 -7.569 -6.504 0.885 1.00 0.00 C ATOM 182 CD2 TYR A 14 -6.361 -4.642 1.728 1.00 0.00 C ATOM 183 CE1 TYR A 14 -7.283 -7.217 2.027 1.00 0.00 C ATOM 184 CE2 TYR A 14 -6.068 -5.349 2.881 1.00 0.00 C ATOM 185 CZ TYR A 14 -6.533 -6.638 3.025 1.00 0.00 C ATOM 186 OH TYR A 14 -6.248 -7.349 4.168 1.00 0.00 O ATOM 0 H TYR A 14 -9.677 -3.511 1.200 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.987 -3.455 -1.635 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.182 -5.052 -1.411 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.779 -3.555 -0.594 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.157 -6.966 0.106 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.992 -3.633 1.617 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.646 -8.228 2.140 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.479 -4.893 3.663 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.203 -8.305 3.956 1.00 0.00 H new ATOM 196 N ASN A 15 -9.929 -5.890 -1.739 1.00 0.00 N ATOM 197 CA ASN A 15 -10.867 -7.002 -1.847 1.00 0.00 C ATOM 198 C ASN A 15 -10.159 -8.256 -2.330 1.00 0.00 C ATOM 199 O ASN A 15 -9.042 -8.189 -2.849 1.00 0.00 O ATOM 200 CB ASN A 15 -11.995 -6.672 -2.831 1.00 0.00 C ATOM 201 CG ASN A 15 -12.857 -5.496 -2.410 1.00 0.00 C ATOM 202 OD1 ASN A 15 -13.046 -5.235 -1.224 1.00 0.00 O ATOM 203 ND2 ASN A 15 -13.386 -4.779 -3.387 1.00 0.00 N ATOM 0 H ASN A 15 -9.362 -5.735 -2.573 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.285 -7.172 -0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.561 -6.460 -3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.629 -7.551 -2.949 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.976 -3.976 -3.169 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.204 -5.029 -4.359 1.00 0.00 H new ATOM 210 N TYR A 16 -10.830 -9.395 -2.179 1.00 0.00 N ATOM 211 CA TYR A 16 -10.290 -10.671 -2.615 1.00 0.00 C ATOM 212 C TYR A 16 -11.413 -11.572 -3.119 1.00 0.00 C ATOM 213 O TYR A 16 -12.564 -11.442 -2.698 1.00 0.00 O ATOM 214 CB TYR A 16 -9.554 -11.364 -1.466 1.00 0.00 C ATOM 215 CG TYR A 16 -8.745 -12.570 -1.891 1.00 0.00 C ATOM 216 CD1 TYR A 16 -7.476 -12.421 -2.424 1.00 0.00 C ATOM 217 CD2 TYR A 16 -9.260 -13.854 -1.767 1.00 0.00 C ATOM 218 CE1 TYR A 16 -6.739 -13.516 -2.825 1.00 0.00 C ATOM 219 CE2 TYR A 16 -8.528 -14.956 -2.162 1.00 0.00 C ATOM 220 CZ TYR A 16 -7.268 -14.780 -2.692 1.00 0.00 C ATOM 221 OH TYR A 16 -6.537 -15.872 -3.094 1.00 0.00 O ATOM 0 H TYR A 16 -11.755 -9.455 -1.754 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.585 -10.485 -3.425 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.890 -10.644 -0.987 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.282 -11.674 -0.716 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.056 -11.431 -2.528 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.249 -13.993 -1.355 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.752 -13.382 -3.241 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.940 -15.949 -2.056 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.055 -16.392 -3.743 1.00 0.00 H new ATOM 231 N ASP A 17 -11.059 -12.477 -4.018 1.00 0.00 N ATOM 232 CA ASP A 17 -11.980 -13.475 -4.562 1.00 0.00 C ATOM 233 C ASP A 17 -11.218 -14.381 -5.520 1.00 0.00 C ATOM 234 O ASP A 17 -10.500 -13.894 -6.396 1.00 0.00 O ATOM 235 CB ASP A 17 -13.184 -12.826 -5.274 1.00 0.00 C ATOM 236 CG ASP A 17 -12.816 -12.058 -6.531 1.00 0.00 C ATOM 237 OD1 ASP A 17 -12.520 -10.848 -6.432 1.00 0.00 O ATOM 238 OD2 ASP A 17 -12.849 -12.658 -7.628 1.00 0.00 O ATOM 0 H ASP A 17 -10.115 -12.544 -4.398 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.382 -14.060 -3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.903 -13.604 -5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.682 -12.149 -4.580 1.00 0.00 H new ATOM 243 N GLY A 18 -11.344 -15.693 -5.335 1.00 0.00 N ATOM 244 CA GLY A 18 -10.542 -16.632 -6.104 1.00 0.00 C ATOM 245 C GLY A 18 -9.070 -16.395 -5.854 1.00 0.00 C ATOM 246 O GLY A 18 -8.536 -16.794 -4.819 1.00 0.00 O ATOM 0 H GLY A 18 -11.985 -16.123 -4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.804 -17.654 -5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.760 -16.521 -7.166 1.00 0.00 H new ATOM 250 N SER A 19 -8.411 -15.749 -6.798 1.00 0.00 N ATOM 251 CA SER A 19 -7.122 -15.150 -6.545 1.00 0.00 C ATOM 252 C SER A 19 -7.103 -13.773 -7.194 1.00 0.00 C ATOM 253 O SER A 19 -6.634 -13.598 -8.320 1.00 0.00 O ATOM 254 CB SER A 19 -6.019 -16.034 -7.124 1.00 0.00 C ATOM 255 OG SER A 19 -6.102 -17.357 -6.611 1.00 0.00 O ATOM 0 H SER A 19 -8.753 -15.628 -7.751 1.00 0.00 H new ATOM 0 HA SER A 19 -6.949 -15.053 -5.473 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.099 -16.056 -8.211 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.044 -15.608 -6.885 1.00 0.00 H new ATOM 0 HG SER A 19 -5.386 -17.903 -6.998 1.00 0.00 H new ATOM 261 N THR A 20 -7.602 -12.797 -6.455 1.00 0.00 N ATOM 262 CA THR A 20 -7.670 -11.427 -6.920 1.00 0.00 C ATOM 263 C THR A 20 -7.433 -10.487 -5.752 1.00 0.00 C ATOM 264 O THR A 20 -8.048 -10.647 -4.704 1.00 0.00 O ATOM 265 CB THR A 20 -9.042 -11.108 -7.551 1.00 0.00 C ATOM 266 OG1 THR A 20 -9.446 -12.176 -8.421 1.00 0.00 O ATOM 267 CG2 THR A 20 -8.975 -9.811 -8.341 1.00 0.00 C ATOM 0 H THR A 20 -7.971 -12.935 -5.514 1.00 0.00 H new ATOM 0 HA THR A 20 -6.903 -11.293 -7.683 1.00 0.00 H new ATOM 0 HB THR A 20 -9.771 -10.999 -6.748 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.834 -12.902 -7.889 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.951 -9.601 -8.779 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.692 -8.994 -7.677 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.234 -9.906 -9.135 1.00 0.00 H new ATOM 275 N PHE A 21 -6.552 -9.522 -5.921 1.00 0.00 N ATOM 276 CA PHE A 21 -6.280 -8.574 -4.862 1.00 0.00 C ATOM 277 C PHE A 21 -6.280 -7.175 -5.432 1.00 0.00 C ATOM 278 O PHE A 21 -5.336 -6.747 -6.093 1.00 0.00 O ATOM 279 CB PHE A 21 -4.951 -8.896 -4.193 1.00 0.00 C ATOM 280 CG PHE A 21 -4.966 -8.682 -2.714 1.00 0.00 C ATOM 281 CD1 PHE A 21 -5.682 -9.529 -1.890 1.00 0.00 C ATOM 282 CD2 PHE A 21 -4.277 -7.630 -2.148 1.00 0.00 C ATOM 283 CE1 PHE A 21 -5.705 -9.332 -0.528 1.00 0.00 C ATOM 284 CE2 PHE A 21 -4.297 -7.424 -0.788 1.00 0.00 C ATOM 285 CZ PHE A 21 -5.010 -8.278 0.024 1.00 0.00 C ATOM 0 H PHE A 21 -6.016 -9.375 -6.776 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.058 -8.642 -4.102 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.690 -9.934 -4.400 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.170 -8.277 -4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.230 -10.355 -2.319 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.715 -6.959 -2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.266 -10.002 0.106 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.755 -6.595 -0.358 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.024 -8.122 1.093 1.00 0.00 H new ATOM 295 N SER A 22 -7.368 -6.485 -5.191 1.00 0.00 N ATOM 296 CA SER A 22 -7.587 -5.168 -5.761 1.00 0.00 C ATOM 297 C SER A 22 -8.105 -4.224 -4.691 1.00 0.00 C ATOM 298 O SER A 22 -8.614 -4.669 -3.670 1.00 0.00 O ATOM 299 CB SER A 22 -8.590 -5.258 -6.914 1.00 0.00 C ATOM 300 OG SER A 22 -8.181 -6.223 -7.873 1.00 0.00 O ATOM 0 H SER A 22 -8.128 -6.815 -4.596 1.00 0.00 H new ATOM 0 HA SER A 22 -6.642 -4.784 -6.146 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.573 -5.522 -6.525 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.687 -4.284 -7.393 1.00 0.00 H new ATOM 0 HG SER A 22 -8.839 -6.263 -8.598 1.00 0.00 H new ATOM 306 N GLY A 23 -7.972 -2.931 -4.924 1.00 0.00 N ATOM 307 CA GLY A 23 -8.433 -1.954 -3.966 1.00 0.00 C ATOM 308 C GLY A 23 -7.814 -0.602 -4.216 1.00 0.00 C ATOM 309 O GLY A 23 -7.608 -0.217 -5.369 1.00 0.00 O ATOM 0 H GLY A 23 -7.550 -2.538 -5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.519 -1.874 -4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.187 -2.287 -2.958 1.00 0.00 H new ATOM 313 N LYS A 24 -7.511 0.121 -3.153 1.00 0.00 N ATOM 314 CA LYS A 24 -6.892 1.426 -3.288 1.00 0.00 C ATOM 315 C LYS A 24 -6.258 1.868 -1.973 1.00 0.00 C ATOM 316 O LYS A 24 -6.603 1.368 -0.900 1.00 0.00 O ATOM 317 CB LYS A 24 -7.901 2.466 -3.784 1.00 0.00 C ATOM 318 CG LYS A 24 -9.057 2.744 -2.831 1.00 0.00 C ATOM 319 CD LYS A 24 -10.167 1.717 -2.955 1.00 0.00 C ATOM 320 CE LYS A 24 -11.319 2.055 -2.027 1.00 0.00 C ATOM 321 NZ LYS A 24 -12.437 1.085 -2.142 1.00 0.00 N ATOM 0 H LYS A 24 -7.683 -0.172 -2.191 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.101 1.344 -4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.373 3.401 -3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.308 2.130 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.686 2.752 -1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.460 3.737 -3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.522 1.681 -3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.780 0.726 -2.716 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.961 2.073 -0.998 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.685 3.056 -2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.337 1.600 -2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.300 0.496 -2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.458 0.478 -1.298 1.00 0.00 H new ATOM 335 N ILE A 25 -5.337 2.810 -2.076 1.00 0.00 N ATOM 336 CA ILE A 25 -4.534 3.244 -0.946 1.00 0.00 C ATOM 337 C ILE A 25 -4.711 4.745 -0.719 1.00 0.00 C ATOM 338 O ILE A 25 -5.045 5.490 -1.643 1.00 0.00 O ATOM 339 CB ILE A 25 -3.042 2.922 -1.186 1.00 0.00 C ATOM 340 CG1 ILE A 25 -2.887 1.485 -1.699 1.00 0.00 C ATOM 341 CG2 ILE A 25 -2.236 3.105 0.096 1.00 0.00 C ATOM 342 CD1 ILE A 25 -1.461 1.104 -2.032 1.00 0.00 C ATOM 0 H ILE A 25 -5.124 3.296 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.870 2.707 -0.059 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.660 3.613 -1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.270 0.797 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.504 1.359 -2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.189 2.873 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.322 4.137 0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.620 2.436 0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.433 0.074 -2.388 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.079 1.767 -2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.842 1.196 -1.140 1.00 0.00 H new ATOM 354 N TYR A 26 -4.472 5.177 0.509 1.00 0.00 N ATOM 355 CA TYR A 26 -4.743 6.544 0.927 1.00 0.00 C ATOM 356 C TYR A 26 -3.493 7.129 1.604 1.00 0.00 C ATOM 357 O TYR A 26 -3.220 6.831 2.762 1.00 0.00 O ATOM 358 CB TYR A 26 -5.916 6.484 1.909 1.00 0.00 C ATOM 359 CG TYR A 26 -6.620 7.787 2.172 1.00 0.00 C ATOM 360 CD1 TYR A 26 -6.003 8.789 2.889 1.00 0.00 C ATOM 361 CD2 TYR A 26 -7.919 7.996 1.725 1.00 0.00 C ATOM 362 CE1 TYR A 26 -6.657 9.977 3.158 1.00 0.00 C ATOM 363 CE2 TYR A 26 -8.580 9.180 1.984 1.00 0.00 C ATOM 364 CZ TYR A 26 -7.945 10.169 2.701 1.00 0.00 C ATOM 365 OH TYR A 26 -8.598 11.354 2.966 1.00 0.00 O ATOM 0 H TYR A 26 -4.084 4.588 1.246 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.992 7.182 0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.646 5.769 1.530 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.550 6.093 2.858 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.994 8.644 3.246 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.420 7.219 1.166 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.162 10.752 3.724 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.588 9.329 1.627 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.495 11.328 2.573 1.00 0.00 H new ATOM 375 N VAL A 27 -2.723 7.957 0.898 1.00 0.00 N ATOM 376 CA VAL A 27 -1.427 8.390 1.434 1.00 0.00 C ATOM 377 C VAL A 27 -1.191 9.889 1.255 1.00 0.00 C ATOM 378 O VAL A 27 -1.633 10.487 0.278 1.00 0.00 O ATOM 379 CB VAL A 27 -0.233 7.585 0.828 1.00 0.00 C ATOM 380 CG1 VAL A 27 -0.716 6.407 -0.004 1.00 0.00 C ATOM 381 CG2 VAL A 27 0.706 8.467 0.011 1.00 0.00 C ATOM 0 H VAL A 27 -2.961 8.334 -0.019 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.471 8.180 2.503 1.00 0.00 H new ATOM 0 HB VAL A 27 0.335 7.197 1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.143 5.871 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.301 5.734 0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.336 6.770 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.519 7.861 -0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.154 8.922 -0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.117 9.250 0.649 1.00 0.00 H new ATOM 391 N LYS A 28 -0.505 10.480 2.233 1.00 0.00 N ATOM 392 CA LYS A 28 -0.150 11.891 2.201 1.00 0.00 C ATOM 393 C LYS A 28 0.875 12.149 1.110 1.00 0.00 C ATOM 394 O LYS A 28 1.860 11.416 0.987 1.00 0.00 O ATOM 395 CB LYS A 28 0.423 12.325 3.556 1.00 0.00 C ATOM 396 CG LYS A 28 0.769 13.805 3.631 1.00 0.00 C ATOM 397 CD LYS A 28 1.497 14.164 4.920 1.00 0.00 C ATOM 398 CE LYS A 28 0.638 13.926 6.155 1.00 0.00 C ATOM 399 NZ LYS A 28 1.279 14.472 7.380 1.00 0.00 N ATOM 0 H LYS A 28 -0.182 9.991 3.068 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.050 12.469 1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.300 12.090 4.338 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.319 11.741 3.765 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.392 14.074 2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.145 14.394 3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.410 13.573 4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.797 15.211 4.885 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.338 14.392 6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.466 12.857 6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.667 14.292 8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.199 14.010 7.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.420 15.497 7.271 1.00 0.00 H new ATOM 413 N ASN A 29 0.654 13.181 0.320 1.00 0.00 N ATOM 414 CA ASN A 29 1.590 13.526 -0.733 1.00 0.00 C ATOM 415 C ASN A 29 2.567 14.596 -0.252 1.00 0.00 C ATOM 416 O ASN A 29 2.368 15.792 -0.455 1.00 0.00 O ATOM 417 CB ASN A 29 0.864 13.953 -2.026 1.00 0.00 C ATOM 418 CG ASN A 29 -0.051 15.160 -1.871 1.00 0.00 C ATOM 419 OD1 ASN A 29 -0.609 15.412 -0.803 1.00 0.00 O ATOM 420 ND2 ASN A 29 -0.230 15.904 -2.955 1.00 0.00 N ATOM 0 H ASN A 29 -0.160 13.792 0.386 1.00 0.00 H new ATOM 0 HA ASN A 29 2.165 12.633 -0.978 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.610 14.175 -2.789 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.275 13.112 -2.391 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.847 16.716 -2.920 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.249 15.664 -3.823 1.00 0.00 H new ATOM 427 N ILE A 30 3.626 14.141 0.414 1.00 0.00 N ATOM 428 CA ILE A 30 4.697 15.024 0.860 1.00 0.00 C ATOM 429 C ILE A 30 5.366 15.625 -0.366 1.00 0.00 C ATOM 430 O ILE A 30 5.571 16.836 -0.464 1.00 0.00 O ATOM 431 CB ILE A 30 5.755 14.276 1.717 1.00 0.00 C ATOM 432 CG1 ILE A 30 5.185 13.878 3.085 1.00 0.00 C ATOM 433 CG2 ILE A 30 7.008 15.120 1.897 1.00 0.00 C ATOM 434 CD1 ILE A 30 4.330 12.629 3.065 1.00 0.00 C ATOM 0 H ILE A 30 3.764 13.160 0.657 1.00 0.00 H new ATOM 0 HA ILE A 30 4.263 15.801 1.489 1.00 0.00 H new ATOM 0 HB ILE A 30 6.023 13.366 1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.011 13.727 3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.590 14.705 3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.732 14.572 2.501 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.442 15.340 0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.749 16.053 2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.968 12.420 4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.481 12.780 2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.924 11.787 2.711 1.00 0.00 H new ATOM 446 N ALA A 31 5.670 14.750 -1.306 1.00 0.00 N ATOM 447 CA ALA A 31 6.142 15.145 -2.607 1.00 0.00 C ATOM 448 C ALA A 31 5.081 14.759 -3.619 1.00 0.00 C ATOM 449 O ALA A 31 4.021 14.251 -3.241 1.00 0.00 O ATOM 450 CB ALA A 31 7.472 14.481 -2.930 1.00 0.00 C ATOM 0 H ALA A 31 5.594 13.741 -1.181 1.00 0.00 H new ATOM 0 HA ALA A 31 6.313 16.221 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.806 14.797 -3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.214 14.772 -2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.351 13.398 -2.917 1.00 0.00 H new ATOM 456 N TYR A 32 5.343 14.960 -4.886 1.00 0.00 N ATOM 457 CA TYR A 32 4.343 14.666 -5.887 1.00 0.00 C ATOM 458 C TYR A 32 4.752 13.450 -6.707 1.00 0.00 C ATOM 459 O TYR A 32 4.021 12.459 -6.759 1.00 0.00 O ATOM 460 CB TYR A 32 4.130 15.901 -6.747 1.00 0.00 C ATOM 461 CG TYR A 32 2.864 15.868 -7.571 1.00 0.00 C ATOM 462 CD1 TYR A 32 1.634 15.623 -6.972 1.00 0.00 C ATOM 463 CD2 TYR A 32 2.893 16.100 -8.938 1.00 0.00 C ATOM 464 CE1 TYR A 32 0.470 15.611 -7.713 1.00 0.00 C ATOM 465 CE2 TYR A 32 1.733 16.086 -9.688 1.00 0.00 C ATOM 466 CZ TYR A 32 0.524 15.842 -9.071 1.00 0.00 C ATOM 467 OH TYR A 32 -0.634 15.838 -9.814 1.00 0.00 O ATOM 0 H TYR A 32 6.226 15.321 -5.248 1.00 0.00 H new ATOM 0 HA TYR A 32 3.395 14.415 -5.411 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.109 16.780 -6.103 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.983 16.017 -7.416 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.588 15.439 -5.909 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.838 16.295 -9.424 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.478 15.422 -7.232 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.773 16.265 -10.752 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.421 16.018 -10.753 1.00 0.00 H new ATOM 477 N SER A 33 5.932 13.504 -7.304 1.00 0.00 N ATOM 478 CA SER A 33 6.461 12.374 -8.053 1.00 0.00 C ATOM 479 C SER A 33 6.972 11.292 -7.098 1.00 0.00 C ATOM 480 O SER A 33 8.178 11.121 -6.908 1.00 0.00 O ATOM 481 CB SER A 33 7.578 12.845 -8.985 1.00 0.00 C ATOM 482 OG SER A 33 7.164 13.983 -9.726 1.00 0.00 O ATOM 0 H SER A 33 6.543 14.320 -7.285 1.00 0.00 H new ATOM 0 HA SER A 33 5.662 11.943 -8.656 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.467 13.087 -8.403 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.853 12.041 -9.667 1.00 0.00 H new ATOM 0 HG SER A 33 7.892 14.272 -10.316 1.00 0.00 H new ATOM 488 N LYS A 34 6.036 10.592 -6.475 1.00 0.00 N ATOM 489 CA LYS A 34 6.349 9.531 -5.537 1.00 0.00 C ATOM 490 C LYS A 34 6.148 8.181 -6.203 1.00 0.00 C ATOM 491 O LYS A 34 5.910 8.110 -7.408 1.00 0.00 O ATOM 492 CB LYS A 34 5.428 9.650 -4.330 1.00 0.00 C ATOM 493 CG LYS A 34 5.418 11.031 -3.718 1.00 0.00 C ATOM 494 CD LYS A 34 4.307 11.183 -2.694 1.00 0.00 C ATOM 495 CE LYS A 34 2.934 10.962 -3.313 1.00 0.00 C ATOM 496 NZ LYS A 34 2.634 11.949 -4.386 1.00 0.00 N ATOM 0 H LYS A 34 5.036 10.746 -6.608 1.00 0.00 H new ATOM 0 HA LYS A 34 7.388 9.617 -5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.414 9.385 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.736 8.928 -3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.380 11.226 -3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.294 11.776 -4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.459 10.470 -1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.352 12.179 -2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.881 9.954 -3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.172 11.030 -2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.904 12.612 -4.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.498 12.476 -4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.289 11.450 -5.231 1.00 0.00 H new ATOM 510 N LYS A 35 6.229 7.114 -5.424 1.00 0.00 N ATOM 511 CA LYS A 35 5.963 5.787 -5.944 1.00 0.00 C ATOM 512 C LYS A 35 5.444 4.908 -4.826 1.00 0.00 C ATOM 513 O LYS A 35 5.857 5.045 -3.673 1.00 0.00 O ATOM 514 CB LYS A 35 7.215 5.166 -6.578 1.00 0.00 C ATOM 515 CG LYS A 35 8.364 4.971 -5.605 1.00 0.00 C ATOM 516 CD LYS A 35 9.473 4.117 -6.200 1.00 0.00 C ATOM 517 CE LYS A 35 10.059 4.736 -7.457 1.00 0.00 C ATOM 518 NZ LYS A 35 11.088 3.858 -8.071 1.00 0.00 N ATOM 0 H LYS A 35 6.476 7.143 -4.435 1.00 0.00 H new ATOM 0 HA LYS A 35 5.210 5.867 -6.728 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.951 4.201 -7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.549 5.802 -7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.767 5.943 -5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.993 4.501 -4.694 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.263 3.982 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.082 3.126 -6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.262 4.922 -8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.502 5.702 -7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.466 4.312 -8.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.860 3.701 -7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.659 2.945 -8.325 1.00 0.00 H new ATOM 532 N VAL A 36 4.530 4.022 -5.156 1.00 0.00 N ATOM 533 CA VAL A 36 3.936 3.168 -4.158 1.00 0.00 C ATOM 534 C VAL A 36 4.079 1.711 -4.551 1.00 0.00 C ATOM 535 O VAL A 36 3.612 1.279 -5.609 1.00 0.00 O ATOM 536 CB VAL A 36 2.460 3.535 -3.903 1.00 0.00 C ATOM 537 CG1 VAL A 36 1.721 2.390 -3.261 1.00 0.00 C ATOM 538 CG2 VAL A 36 2.382 4.749 -2.996 1.00 0.00 C ATOM 0 H VAL A 36 4.185 3.876 -6.105 1.00 0.00 H new ATOM 0 HA VAL A 36 4.473 3.324 -3.222 1.00 0.00 H new ATOM 0 HB VAL A 36 1.995 3.757 -4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.683 2.676 -3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.756 1.521 -3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.189 2.144 -2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.337 5.004 -2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.867 4.525 -2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.886 5.591 -3.471 1.00 0.00 H new ATOM 548 N THR A 37 4.746 0.968 -3.697 1.00 0.00 N ATOM 549 CA THR A 37 5.030 -0.422 -3.965 1.00 0.00 C ATOM 550 C THR A 37 4.344 -1.330 -2.955 1.00 0.00 C ATOM 551 O THR A 37 4.685 -1.340 -1.774 1.00 0.00 O ATOM 552 CB THR A 37 6.553 -0.666 -3.977 1.00 0.00 C ATOM 553 OG1 THR A 37 7.200 0.113 -2.961 1.00 0.00 O ATOM 554 CG2 THR A 37 7.129 -0.306 -5.333 1.00 0.00 C ATOM 0 H THR A 37 5.104 1.307 -2.804 1.00 0.00 H new ATOM 0 HA THR A 37 4.632 -0.665 -4.950 1.00 0.00 H new ATOM 0 HB THR A 37 6.729 -1.723 -3.777 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.165 -0.057 -2.984 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.205 -0.482 -5.330 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.663 -0.922 -6.102 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.934 0.746 -5.543 1.00 0.00 H new ATOM 562 N VAL A 38 3.346 -2.060 -3.427 1.00 0.00 N ATOM 563 CA VAL A 38 2.638 -3.021 -2.590 1.00 0.00 C ATOM 564 C VAL A 38 3.403 -4.324 -2.548 1.00 0.00 C ATOM 565 O VAL A 38 3.433 -5.054 -3.530 1.00 0.00 O ATOM 566 CB VAL A 38 1.223 -3.332 -3.116 1.00 0.00 C ATOM 567 CG1 VAL A 38 0.577 -4.438 -2.285 1.00 0.00 C ATOM 568 CG2 VAL A 38 0.353 -2.097 -3.105 1.00 0.00 C ATOM 0 H VAL A 38 3.006 -2.007 -4.387 1.00 0.00 H new ATOM 0 HA VAL A 38 2.556 -2.570 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 38 1.316 -3.673 -4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.422 -4.646 -2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.184 -5.341 -2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.506 -4.118 -1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.639 -2.347 -3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.270 -1.720 -2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.799 -1.332 -3.740 1.00 0.00 H new ATOM 578 N VAL A 39 4.010 -4.623 -1.423 1.00 0.00 N ATOM 579 CA VAL A 39 4.736 -5.875 -1.304 1.00 0.00 C ATOM 580 C VAL A 39 3.994 -6.825 -0.390 1.00 0.00 C ATOM 581 O VAL A 39 3.709 -6.512 0.768 1.00 0.00 O ATOM 582 CB VAL A 39 6.192 -5.689 -0.824 1.00 0.00 C ATOM 583 CG1 VAL A 39 7.001 -4.948 -1.871 1.00 0.00 C ATOM 584 CG2 VAL A 39 6.249 -4.954 0.501 1.00 0.00 C ATOM 0 H VAL A 39 4.019 -4.033 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 39 4.793 -6.301 -2.306 1.00 0.00 H new ATOM 0 HB VAL A 39 6.623 -6.679 -0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.025 -4.824 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.003 -5.518 -2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.557 -3.968 -2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.288 -4.840 0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.793 -3.970 0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.707 -5.523 1.256 1.00 0.00 H new ATOM 594 N TYR A 40 3.645 -7.976 -0.926 1.00 0.00 N ATOM 595 CA TYR A 40 2.919 -8.957 -0.153 1.00 0.00 C ATOM 596 C TYR A 40 3.698 -10.242 -0.009 1.00 0.00 C ATOM 597 O TYR A 40 4.492 -10.619 -0.877 1.00 0.00 O ATOM 598 CB TYR A 40 1.528 -9.242 -0.731 1.00 0.00 C ATOM 599 CG TYR A 40 1.464 -9.760 -2.151 1.00 0.00 C ATOM 600 CD1 TYR A 40 1.913 -11.024 -2.494 1.00 0.00 C ATOM 601 CD2 TYR A 40 0.898 -8.987 -3.137 1.00 0.00 C ATOM 602 CE1 TYR A 40 1.807 -11.492 -3.789 1.00 0.00 C ATOM 603 CE2 TYR A 40 0.778 -9.445 -4.430 1.00 0.00 C ATOM 604 CZ TYR A 40 1.236 -10.698 -4.753 1.00 0.00 C ATOM 605 OH TYR A 40 1.111 -11.166 -6.042 1.00 0.00 O ATOM 0 H TYR A 40 3.851 -8.252 -1.886 1.00 0.00 H new ATOM 0 HA TYR A 40 2.784 -8.523 0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.035 -9.968 -0.084 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.946 -8.322 -0.680 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.354 -11.655 -1.736 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.539 -7.998 -2.892 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.171 -12.477 -4.042 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.326 -8.821 -5.187 1.00 0.00 H new ATOM 0 HH TYR A 40 0.685 -10.481 -6.599 1.00 0.00 H new ATOM 615 N ALA A 41 3.484 -10.896 1.115 1.00 0.00 N ATOM 616 CA ALA A 41 4.003 -12.213 1.332 1.00 0.00 C ATOM 617 C ALA A 41 3.057 -13.156 0.654 1.00 0.00 C ATOM 618 O ALA A 41 2.056 -13.600 1.230 1.00 0.00 O ATOM 619 CB ALA A 41 4.148 -12.524 2.810 1.00 0.00 C ATOM 0 H ALA A 41 2.945 -10.522 1.896 1.00 0.00 H new ATOM 0 HA ALA A 41 5.007 -12.308 0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.544 -13.532 2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.830 -11.808 3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.173 -12.456 3.293 1.00 0.00 H new ATOM 625 N ASP A 42 3.330 -13.269 -0.625 1.00 0.00 N ATOM 626 CA ASP A 42 2.592 -14.122 -1.581 1.00 0.00 C ATOM 627 C ASP A 42 2.370 -15.564 -1.089 1.00 0.00 C ATOM 628 O ASP A 42 2.572 -15.878 0.080 1.00 0.00 O ATOM 629 CB ASP A 42 3.341 -14.176 -2.921 1.00 0.00 C ATOM 630 CG ASP A 42 4.537 -15.108 -2.895 1.00 0.00 C ATOM 631 OD1 ASP A 42 5.450 -14.890 -2.079 1.00 0.00 O ATOM 632 OD2 ASP A 42 4.565 -16.062 -3.699 1.00 0.00 O ATOM 0 H ASP A 42 4.097 -12.758 -1.063 1.00 0.00 H new ATOM 0 HA ASP A 42 1.610 -13.662 -1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.653 -14.499 -3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.675 -13.173 -3.185 1.00 0.00 H new ATOM 637 N GLY A 43 1.966 -16.445 -2.006 1.00 0.00 N ATOM 638 CA GLY A 43 1.745 -17.844 -1.673 1.00 0.00 C ATOM 639 C GLY A 43 2.982 -18.524 -1.104 1.00 0.00 C ATOM 640 O GLY A 43 2.883 -19.550 -0.430 1.00 0.00 O ATOM 0 H GLY A 43 1.787 -16.210 -2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.933 -17.915 -0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.423 -18.378 -2.567 1.00 0.00 H new ATOM 644 N SER A 44 4.151 -17.956 -1.377 1.00 0.00 N ATOM 645 CA SER A 44 5.396 -18.450 -0.810 1.00 0.00 C ATOM 646 C SER A 44 5.411 -18.251 0.704 1.00 0.00 C ATOM 647 O SER A 44 6.184 -18.894 1.415 1.00 0.00 O ATOM 648 CB SER A 44 6.581 -17.725 -1.444 1.00 0.00 C ATOM 649 OG SER A 44 7.819 -18.281 -1.031 1.00 0.00 O ATOM 0 H SER A 44 4.261 -17.149 -1.991 1.00 0.00 H new ATOM 0 HA SER A 44 5.475 -19.517 -1.020 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.502 -17.779 -2.530 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.548 -16.669 -1.174 1.00 0.00 H new ATOM 0 HG SER A 44 7.717 -18.685 -0.144 1.00 0.00 H new ATOM 655 N ASP A 45 4.553 -17.339 1.174 1.00 0.00 N ATOM 656 CA ASP A 45 4.362 -17.074 2.604 1.00 0.00 C ATOM 657 C ASP A 45 5.565 -16.323 3.173 1.00 0.00 C ATOM 658 O ASP A 45 5.800 -16.311 4.379 1.00 0.00 O ATOM 659 CB ASP A 45 4.109 -18.388 3.367 1.00 0.00 C ATOM 660 CG ASP A 45 3.686 -18.180 4.811 1.00 0.00 C ATOM 661 OD1 ASP A 45 2.524 -17.784 5.042 1.00 0.00 O ATOM 662 OD2 ASP A 45 4.506 -18.433 5.721 1.00 0.00 O ATOM 0 H ASP A 45 3.969 -16.761 0.570 1.00 0.00 H new ATOM 0 HA ASP A 45 3.483 -16.441 2.729 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.337 -18.956 2.849 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.017 -18.991 3.346 1.00 0.00 H new ATOM 667 N ASN A 46 6.306 -15.658 2.293 1.00 0.00 N ATOM 668 CA ASN A 46 7.530 -14.979 2.698 1.00 0.00 C ATOM 669 C ASN A 46 8.048 -14.059 1.599 1.00 0.00 C ATOM 670 O ASN A 46 7.862 -14.318 0.411 1.00 0.00 O ATOM 671 CB ASN A 46 8.609 -16.008 3.038 1.00 0.00 C ATOM 672 CG ASN A 46 9.894 -15.374 3.543 1.00 0.00 C ATOM 673 OD1 ASN A 46 9.877 -14.318 4.179 1.00 0.00 O ATOM 674 ND2 ASN A 46 11.016 -16.017 3.261 1.00 0.00 N ATOM 0 H ASN A 46 6.082 -15.575 1.301 1.00 0.00 H new ATOM 0 HA ASN A 46 7.298 -14.375 3.575 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.226 -16.692 3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.828 -16.604 2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.911 -15.641 3.573 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.985 -16.888 2.732 1.00 0.00 H new ATOM 681 N TRP A 47 8.694 -12.984 2.013 1.00 0.00 N ATOM 682 CA TRP A 47 9.369 -12.072 1.102 1.00 0.00 C ATOM 683 C TRP A 47 10.781 -12.574 0.881 1.00 0.00 C ATOM 684 O TRP A 47 11.728 -12.140 1.535 1.00 0.00 O ATOM 685 CB TRP A 47 9.399 -10.660 1.685 1.00 0.00 C ATOM 686 CG TRP A 47 8.581 -10.557 2.923 1.00 0.00 C ATOM 687 CD1 TRP A 47 8.919 -10.981 4.171 1.00 0.00 C ATOM 688 CD2 TRP A 47 7.270 -10.036 3.010 1.00 0.00 C ATOM 689 NE1 TRP A 47 7.871 -10.773 5.033 1.00 0.00 N ATOM 690 CE2 TRP A 47 6.844 -10.188 4.339 1.00 0.00 C ATOM 691 CE3 TRP A 47 6.412 -9.460 2.088 1.00 0.00 C ATOM 692 CZ2 TRP A 47 5.582 -9.786 4.753 1.00 0.00 C ATOM 693 CZ3 TRP A 47 5.176 -9.068 2.498 1.00 0.00 C ATOM 694 CH2 TRP A 47 4.762 -9.233 3.809 1.00 0.00 C ATOM 0 H TRP A 47 8.767 -12.716 2.995 1.00 0.00 H new ATOM 0 HA TRP A 47 8.832 -12.035 0.154 1.00 0.00 H new ATOM 0 HB2 TRP A 47 10.429 -10.379 1.905 1.00 0.00 H new ATOM 0 HB3 TRP A 47 9.027 -9.953 0.944 1.00 0.00 H new ATOM 0 HD1 TRP A 47 9.869 -11.416 4.443 1.00 0.00 H new ATOM 0 HE1 TRP A 47 7.859 -11.014 6.024 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.719 -9.325 1.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.261 -9.905 5.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.502 -8.618 1.785 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.769 -8.918 4.092 1.00 0.00 H new ATOM 705 N ASN A 48 10.890 -13.500 -0.042 1.00 0.00 N ATOM 706 CA ASN A 48 12.133 -14.196 -0.326 1.00 0.00 C ATOM 707 C ASN A 48 13.071 -13.331 -1.163 1.00 0.00 C ATOM 708 O ASN A 48 13.486 -13.734 -2.251 1.00 0.00 O ATOM 709 CB ASN A 48 11.817 -15.486 -1.081 1.00 0.00 C ATOM 710 CG ASN A 48 12.922 -16.503 -0.965 1.00 0.00 C ATOM 711 OD1 ASN A 48 13.859 -16.524 -1.762 1.00 0.00 O ATOM 712 ND2 ASN A 48 12.807 -17.369 0.022 1.00 0.00 N ATOM 0 H ASN A 48 10.110 -13.799 -0.627 1.00 0.00 H new ATOM 0 HA ASN A 48 12.632 -14.420 0.617 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.892 -15.913 -0.694 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.647 -15.256 -2.133 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.513 -18.095 0.149 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.012 -17.313 0.659 1.00 0.00 H new ATOM 719 N ASN A 49 13.370 -12.127 -0.665 1.00 0.00 N ATOM 720 CA ASN A 49 14.195 -11.141 -1.381 1.00 0.00 C ATOM 721 C ASN A 49 13.451 -10.593 -2.608 1.00 0.00 C ATOM 722 O ASN A 49 13.689 -9.467 -3.043 1.00 0.00 O ATOM 723 CB ASN A 49 15.552 -11.744 -1.782 1.00 0.00 C ATOM 724 CG ASN A 49 16.475 -10.745 -2.461 1.00 0.00 C ATOM 725 OD1 ASN A 49 16.432 -9.543 -2.188 1.00 0.00 O ATOM 726 ND2 ASN A 49 17.330 -11.239 -3.344 1.00 0.00 N ATOM 0 H ASN A 49 13.047 -11.805 0.248 1.00 0.00 H new ATOM 0 HA ASN A 49 14.387 -10.308 -0.704 1.00 0.00 H new ATOM 0 HB2 ASN A 49 16.044 -12.137 -0.893 1.00 0.00 H new ATOM 0 HB3 ASN A 49 15.384 -12.587 -2.452 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.982 -10.619 -3.824 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.336 -12.239 -3.544 1.00 0.00 H new ATOM 733 N ASN A 50 12.540 -11.397 -3.146 1.00 0.00 N ATOM 734 CA ASN A 50 11.669 -10.982 -4.235 1.00 0.00 C ATOM 735 C ASN A 50 10.790 -9.828 -3.797 1.00 0.00 C ATOM 736 O ASN A 50 10.621 -8.860 -4.537 1.00 0.00 O ATOM 737 CB ASN A 50 10.786 -12.151 -4.718 1.00 0.00 C ATOM 738 CG ASN A 50 10.242 -13.034 -3.608 1.00 0.00 C ATOM 739 OD1 ASN A 50 10.003 -12.590 -2.486 1.00 0.00 O ATOM 740 ND2 ASN A 50 10.035 -14.300 -3.922 1.00 0.00 N ATOM 0 H ASN A 50 12.386 -12.357 -2.837 1.00 0.00 H new ATOM 0 HA ASN A 50 12.302 -10.660 -5.062 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.948 -11.746 -5.285 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.367 -12.768 -5.404 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.665 -14.945 -3.224 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.245 -14.633 -4.863 1.00 0.00 H new ATOM 747 N GLY A 51 10.254 -9.937 -2.585 1.00 0.00 N ATOM 748 CA GLY A 51 9.348 -8.938 -2.077 1.00 0.00 C ATOM 749 C GLY A 51 8.253 -8.638 -3.079 1.00 0.00 C ATOM 750 O GLY A 51 8.164 -7.525 -3.596 1.00 0.00 O ATOM 0 H GLY A 51 10.437 -10.710 -1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.906 -9.284 -1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.898 -8.025 -1.850 1.00 0.00 H new ATOM 754 N ASN A 52 7.462 -9.671 -3.369 1.00 0.00 N ATOM 755 CA ASN A 52 6.416 -9.637 -4.398 1.00 0.00 C ATOM 756 C ASN A 52 5.639 -8.332 -4.376 1.00 0.00 C ATOM 757 O ASN A 52 4.821 -8.097 -3.487 1.00 0.00 O ATOM 758 CB ASN A 52 5.463 -10.816 -4.200 1.00 0.00 C ATOM 759 CG ASN A 52 6.181 -12.146 -4.290 1.00 0.00 C ATOM 760 OD1 ASN A 52 6.269 -12.745 -5.362 1.00 0.00 O ATOM 761 ND2 ASN A 52 6.709 -12.614 -3.166 1.00 0.00 N ATOM 0 H ASN A 52 7.529 -10.569 -2.890 1.00 0.00 H new ATOM 0 HA ASN A 52 6.902 -9.712 -5.371 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.978 -10.731 -3.228 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.676 -10.777 -4.953 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.211 -13.502 -3.169 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.613 -12.086 -2.299 1.00 0.00 H new ATOM 768 N ILE A 53 5.894 -7.495 -5.369 1.00 0.00 N ATOM 769 CA ILE A 53 5.354 -6.152 -5.376 1.00 0.00 C ATOM 770 C ILE A 53 4.415 -5.904 -6.547 1.00 0.00 C ATOM 771 O ILE A 53 4.661 -6.328 -7.680 1.00 0.00 O ATOM 772 CB ILE A 53 6.493 -5.099 -5.371 1.00 0.00 C ATOM 773 CG1 ILE A 53 5.955 -3.663 -5.490 1.00 0.00 C ATOM 774 CG2 ILE A 53 7.504 -5.388 -6.472 1.00 0.00 C ATOM 775 CD1 ILE A 53 5.908 -3.117 -6.907 1.00 0.00 C ATOM 0 H ILE A 53 6.471 -7.725 -6.178 1.00 0.00 H new ATOM 0 HA ILE A 53 4.767 -6.049 -4.463 1.00 0.00 H new ATOM 0 HB ILE A 53 6.997 -5.177 -4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.950 -3.630 -5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.577 -3.005 -4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.293 -4.636 -6.448 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.939 -6.375 -6.317 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.005 -5.360 -7.441 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.516 -2.100 -6.892 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.913 -3.112 -7.329 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.261 -3.747 -7.518 1.00 0.00 H new ATOM 787 N ILE A 54 3.329 -5.217 -6.245 1.00 0.00 N ATOM 788 CA ILE A 54 2.445 -4.680 -7.261 1.00 0.00 C ATOM 789 C ILE A 54 2.570 -3.158 -7.229 1.00 0.00 C ATOM 790 O ILE A 54 2.607 -2.554 -6.152 1.00 0.00 O ATOM 791 CB ILE A 54 0.964 -5.120 -7.054 1.00 0.00 C ATOM 792 CG1 ILE A 54 0.243 -5.201 -8.402 1.00 0.00 C ATOM 793 CG2 ILE A 54 0.209 -4.181 -6.127 1.00 0.00 C ATOM 794 CD1 ILE A 54 0.802 -6.262 -9.324 1.00 0.00 C ATOM 0 H ILE A 54 3.036 -5.016 -5.289 1.00 0.00 H new ATOM 0 HA ILE A 54 2.740 -5.072 -8.235 1.00 0.00 H new ATOM 0 HB ILE A 54 0.984 -6.104 -6.585 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.814 -5.403 -8.228 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.305 -4.232 -8.897 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.818 -4.529 -6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.696 -4.163 -5.152 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.207 -3.176 -6.550 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.243 -6.262 -10.260 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.851 -6.050 -9.528 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.715 -7.239 -8.849 1.00 0.00 H new ATOM 806 N ALA A 55 2.702 -2.539 -8.386 1.00 0.00 N ATOM 807 CA ALA A 55 2.870 -1.099 -8.430 1.00 0.00 C ATOM 808 C ALA A 55 1.517 -0.412 -8.436 1.00 0.00 C ATOM 809 O ALA A 55 0.746 -0.547 -9.388 1.00 0.00 O ATOM 810 CB ALA A 55 3.690 -0.672 -9.638 1.00 0.00 C ATOM 0 H ALA A 55 2.697 -3.001 -9.295 1.00 0.00 H new ATOM 0 HA ALA A 55 3.415 -0.797 -7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.797 0.413 -9.640 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.676 -1.134 -9.590 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.185 -0.989 -10.551 1.00 0.00 H new ATOM 816 N ALA A 56 1.224 0.300 -7.362 1.00 0.00 N ATOM 817 CA ALA A 56 -0.004 1.064 -7.279 1.00 0.00 C ATOM 818 C ALA A 56 0.152 2.349 -8.059 1.00 0.00 C ATOM 819 O ALA A 56 1.267 2.852 -8.227 1.00 0.00 O ATOM 820 CB ALA A 56 -0.355 1.366 -5.834 1.00 0.00 C ATOM 0 H ALA A 56 1.820 0.364 -6.537 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.816 0.475 -7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.281 1.940 -5.797 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.486 0.431 -5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.449 1.943 -5.377 1.00 0.00 H new ATOM 826 N SER A 57 -0.955 2.886 -8.518 1.00 0.00 N ATOM 827 CA SER A 57 -0.927 4.088 -9.316 1.00 0.00 C ATOM 828 C SER A 57 -1.925 5.074 -8.754 1.00 0.00 C ATOM 829 O SER A 57 -3.073 4.719 -8.479 1.00 0.00 O ATOM 830 CB SER A 57 -1.255 3.774 -10.775 1.00 0.00 C ATOM 831 OG SER A 57 -0.913 4.855 -11.624 1.00 0.00 O ATOM 0 H SER A 57 -1.888 2.508 -8.351 1.00 0.00 H new ATOM 0 HA SER A 57 0.073 4.520 -9.282 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.716 2.879 -11.087 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.318 3.555 -10.872 1.00 0.00 H new ATOM 0 HG SER A 57 -1.132 4.625 -12.551 1.00 0.00 H new ATOM 837 N PHE A 58 -1.488 6.299 -8.555 1.00 0.00 N ATOM 838 CA PHE A 58 -2.344 7.299 -7.986 1.00 0.00 C ATOM 839 C PHE A 58 -3.308 7.844 -9.023 1.00 0.00 C ATOM 840 O PHE A 58 -2.955 8.080 -10.180 1.00 0.00 O ATOM 841 CB PHE A 58 -1.547 8.411 -7.307 1.00 0.00 C ATOM 842 CG PHE A 58 -0.717 9.232 -8.234 1.00 0.00 C ATOM 843 CD1 PHE A 58 -1.300 10.265 -8.925 1.00 0.00 C ATOM 844 CD2 PHE A 58 0.633 8.977 -8.416 1.00 0.00 C ATOM 845 CE1 PHE A 58 -0.570 11.034 -9.784 1.00 0.00 C ATOM 846 CE2 PHE A 58 1.382 9.751 -9.280 1.00 0.00 C ATOM 847 CZ PHE A 58 0.777 10.784 -9.969 1.00 0.00 C ATOM 0 H PHE A 58 -0.546 6.619 -8.781 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.937 6.821 -7.206 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.240 9.068 -6.781 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.896 7.966 -6.554 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.351 10.472 -8.787 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.103 8.167 -7.878 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.046 11.841 -10.321 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.434 9.550 -9.416 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.354 11.394 -10.649 1.00 0.00 H new ATOM 857 N SER A 59 -4.537 8.007 -8.586 1.00 0.00 N ATOM 858 CA SER A 59 -5.594 8.526 -9.413 1.00 0.00 C ATOM 859 C SER A 59 -5.570 10.043 -9.321 1.00 0.00 C ATOM 860 O SER A 59 -6.001 10.743 -10.238 1.00 0.00 O ATOM 861 CB SER A 59 -6.942 7.958 -8.947 1.00 0.00 C ATOM 862 OG SER A 59 -7.997 8.292 -9.839 1.00 0.00 O ATOM 0 H SER A 59 -4.830 7.779 -7.636 1.00 0.00 H new ATOM 0 HA SER A 59 -5.453 8.230 -10.452 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.869 6.874 -8.862 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.173 8.341 -7.953 1.00 0.00 H new ATOM 0 HG SER A 59 -8.837 7.911 -9.509 1.00 0.00 H new ATOM 868 N GLY A 60 -5.066 10.550 -8.197 1.00 0.00 N ATOM 869 CA GLY A 60 -4.850 11.974 -8.074 1.00 0.00 C ATOM 870 C GLY A 60 -4.868 12.439 -6.639 1.00 0.00 C ATOM 871 O GLY A 60 -5.227 11.671 -5.747 1.00 0.00 O ATOM 0 H GLY A 60 -4.807 10.001 -7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.892 12.233 -8.525 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.620 12.505 -8.634 1.00 0.00 H new ATOM 875 N PRO A 61 -4.457 13.687 -6.383 1.00 0.00 N ATOM 876 CA PRO A 61 -4.532 14.286 -5.049 1.00 0.00 C ATOM 877 C PRO A 61 -5.976 14.413 -4.576 1.00 0.00 C ATOM 878 O PRO A 61 -6.877 14.715 -5.361 1.00 0.00 O ATOM 879 CB PRO A 61 -3.901 15.673 -5.228 1.00 0.00 C ATOM 880 CG PRO A 61 -3.130 15.587 -6.503 1.00 0.00 C ATOM 881 CD PRO A 61 -3.875 14.613 -7.366 1.00 0.00 C ATOM 0 HA PRO A 61 -4.025 13.681 -4.298 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.664 16.450 -5.280 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.250 15.921 -4.390 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.060 16.562 -6.984 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.110 15.248 -6.321 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -4.643 15.106 -7.962 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.212 14.100 -8.062 1.00 0.00 H new ATOM 889 N ILE A 62 -6.193 14.175 -3.295 1.00 0.00 N ATOM 890 CA ILE A 62 -7.530 14.209 -2.734 1.00 0.00 C ATOM 891 C ILE A 62 -7.913 15.634 -2.367 1.00 0.00 C ATOM 892 O ILE A 62 -7.372 16.207 -1.420 1.00 0.00 O ATOM 893 CB ILE A 62 -7.639 13.320 -1.483 1.00 0.00 C ATOM 894 CG1 ILE A 62 -7.005 11.954 -1.738 1.00 0.00 C ATOM 895 CG2 ILE A 62 -9.094 13.157 -1.078 1.00 0.00 C ATOM 896 CD1 ILE A 62 -6.997 11.065 -0.522 1.00 0.00 C ATOM 0 H ILE A 62 -5.458 13.956 -2.623 1.00 0.00 H new ATOM 0 HA ILE A 62 -8.212 13.827 -3.494 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.100 13.804 -0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -7.546 11.454 -2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.981 12.095 -2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.156 12.526 -0.192 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.522 14.135 -0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.649 12.693 -1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.533 10.111 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.431 11.545 0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.021 10.895 -0.189 1.00 0.00 H new ATOM 908 N SER A 63 -8.835 16.202 -3.127 1.00 0.00 N ATOM 909 CA SER A 63 -9.275 17.571 -2.906 1.00 0.00 C ATOM 910 C SER A 63 -9.939 17.715 -1.538 1.00 0.00 C ATOM 911 O SER A 63 -10.863 16.973 -1.208 1.00 0.00 O ATOM 912 CB SER A 63 -10.238 17.989 -4.014 1.00 0.00 C ATOM 913 OG SER A 63 -9.648 17.799 -5.292 1.00 0.00 O ATOM 0 H SER A 63 -9.296 15.733 -3.907 1.00 0.00 H new ATOM 0 HA SER A 63 -8.403 18.225 -2.926 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.157 17.407 -3.942 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.513 19.036 -3.887 1.00 0.00 H new ATOM 0 HG SER A 63 -10.282 18.071 -5.988 1.00 0.00 H new ATOM 919 N GLY A 64 -9.452 18.664 -0.748 1.00 0.00 N ATOM 920 CA GLY A 64 -9.996 18.874 0.579 1.00 0.00 C ATOM 921 C GLY A 64 -9.044 18.420 1.665 1.00 0.00 C ATOM 922 O GLY A 64 -9.297 18.626 2.852 1.00 0.00 O ATOM 0 H GLY A 64 -8.690 19.292 -1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.221 19.932 0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.937 18.333 0.674 1.00 0.00 H new ATOM 926 N SER A 65 -7.958 17.779 1.263 1.00 0.00 N ATOM 927 CA SER A 65 -6.936 17.332 2.196 1.00 0.00 C ATOM 928 C SER A 65 -5.579 17.298 1.502 1.00 0.00 C ATOM 929 O SER A 65 -5.499 17.354 0.273 1.00 0.00 O ATOM 930 CB SER A 65 -7.278 15.939 2.737 1.00 0.00 C ATOM 931 OG SER A 65 -8.603 15.896 3.252 1.00 0.00 O ATOM 0 H SER A 65 -7.761 17.555 0.288 1.00 0.00 H new ATOM 0 HA SER A 65 -6.896 18.032 3.031 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.170 15.201 1.942 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.572 15.668 3.521 1.00 0.00 H new ATOM 0 HG SER A 65 -8.794 14.996 3.589 1.00 0.00 H new ATOM 937 N ASN A 66 -4.519 17.201 2.287 1.00 0.00 N ATOM 938 CA ASN A 66 -3.169 17.148 1.742 1.00 0.00 C ATOM 939 C ASN A 66 -2.764 15.692 1.553 1.00 0.00 C ATOM 940 O ASN A 66 -1.727 15.236 2.036 1.00 0.00 O ATOM 941 CB ASN A 66 -2.184 17.883 2.661 1.00 0.00 C ATOM 942 CG ASN A 66 -0.826 18.117 2.013 1.00 0.00 C ATOM 943 OD1 ASN A 66 -0.619 19.109 1.315 1.00 0.00 O ATOM 944 ND2 ASN A 66 0.119 17.224 2.263 1.00 0.00 N ATOM 0 H ASN A 66 -4.565 17.157 3.305 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.147 17.650 0.775 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.613 18.843 2.950 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.049 17.306 3.576 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.053 17.347 1.873 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.087 16.413 2.846 1.00 0.00 H new ATOM 951 N TYR A 67 -3.615 14.957 0.859 1.00 0.00 N ATOM 952 CA TYR A 67 -3.383 13.551 0.607 1.00 0.00 C ATOM 953 C TYR A 67 -3.556 13.240 -0.862 1.00 0.00 C ATOM 954 O TYR A 67 -4.038 14.069 -1.637 1.00 0.00 O ATOM 955 CB TYR A 67 -4.332 12.680 1.437 1.00 0.00 C ATOM 956 CG TYR A 67 -3.744 12.229 2.756 1.00 0.00 C ATOM 957 CD1 TYR A 67 -3.299 13.142 3.691 1.00 0.00 C ATOM 958 CD2 TYR A 67 -3.636 10.882 3.057 1.00 0.00 C ATOM 959 CE1 TYR A 67 -2.755 12.728 4.893 1.00 0.00 C ATOM 960 CE2 TYR A 67 -3.099 10.454 4.254 1.00 0.00 C ATOM 961 CZ TYR A 67 -2.659 11.379 5.168 1.00 0.00 C ATOM 962 OH TYR A 67 -2.112 10.953 6.356 1.00 0.00 O ATOM 0 H TYR A 67 -4.480 15.318 0.458 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.358 13.325 0.901 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.249 13.238 1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.610 11.802 0.854 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.377 14.198 3.480 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.979 10.151 2.340 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.408 13.455 5.612 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.025 9.398 4.470 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.122 9.974 6.388 1.00 0.00 H new ATOM 972 N GLU A 68 -3.154 12.046 -1.226 1.00 0.00 N ATOM 973 CA GLU A 68 -3.254 11.570 -2.590 1.00 0.00 C ATOM 974 C GLU A 68 -4.023 10.252 -2.590 1.00 0.00 C ATOM 975 O GLU A 68 -4.261 9.676 -1.522 1.00 0.00 O ATOM 976 CB GLU A 68 -1.847 11.409 -3.169 1.00 0.00 C ATOM 977 CG GLU A 68 -1.740 11.673 -4.661 1.00 0.00 C ATOM 978 CD GLU A 68 -0.302 11.858 -5.096 1.00 0.00 C ATOM 979 OE1 GLU A 68 0.371 10.853 -5.394 1.00 0.00 O ATOM 980 OE2 GLU A 68 0.183 13.007 -5.097 1.00 0.00 O ATOM 0 H GLU A 68 -2.745 11.370 -0.581 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.793 12.281 -3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.173 12.087 -2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.500 10.396 -2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.182 10.842 -5.210 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.314 12.564 -4.915 1.00 0.00 H new ATOM 987 N TYR A 69 -4.367 9.745 -3.762 1.00 0.00 N ATOM 988 CA TYR A 69 -5.379 8.714 -3.856 1.00 0.00 C ATOM 989 C TYR A 69 -4.937 7.689 -4.860 1.00 0.00 C ATOM 990 O TYR A 69 -4.875 7.968 -6.051 1.00 0.00 O ATOM 991 CB TYR A 69 -6.724 9.315 -4.270 1.00 0.00 C ATOM 992 CG TYR A 69 -7.897 8.432 -3.930 1.00 0.00 C ATOM 993 CD1 TYR A 69 -7.913 7.739 -2.735 1.00 0.00 C ATOM 994 CD2 TYR A 69 -8.986 8.305 -4.782 1.00 0.00 C ATOM 995 CE1 TYR A 69 -8.980 6.935 -2.386 1.00 0.00 C ATOM 996 CE2 TYR A 69 -10.060 7.500 -4.444 1.00 0.00 C ATOM 997 CZ TYR A 69 -10.051 6.818 -3.243 1.00 0.00 C ATOM 998 OH TYR A 69 -11.119 6.021 -2.893 1.00 0.00 O ATOM 0 H TYR A 69 -3.962 10.030 -4.654 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.507 8.243 -2.881 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.850 10.280 -3.780 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -6.717 9.501 -5.344 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.074 7.828 -2.060 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.995 8.841 -5.720 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.974 6.402 -1.447 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.900 7.406 -5.116 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.793 6.046 -3.604 1.00 0.00 H new ATOM 1008 N TRP A 70 -4.624 6.512 -4.374 1.00 0.00 N ATOM 1009 CA TRP A 70 -3.966 5.512 -5.175 1.00 0.00 C ATOM 1010 C TRP A 70 -4.898 4.346 -5.414 1.00 0.00 C ATOM 1011 O TRP A 70 -5.482 3.836 -4.477 1.00 0.00 O ATOM 1012 CB TRP A 70 -2.724 5.043 -4.430 1.00 0.00 C ATOM 1013 CG TRP A 70 -1.874 6.173 -3.923 1.00 0.00 C ATOM 1014 CD1 TRP A 70 -2.161 7.055 -2.943 1.00 0.00 C ATOM 1015 CD2 TRP A 70 -0.584 6.514 -4.369 1.00 0.00 C ATOM 1016 NE1 TRP A 70 -1.115 7.923 -2.787 1.00 0.00 N ATOM 1017 CE2 TRP A 70 -0.133 7.600 -3.640 1.00 0.00 C ATOM 1018 CE3 TRP A 70 0.209 5.986 -5.309 1.00 0.00 C ATOM 1019 CZ2 TRP A 70 1.110 8.174 -3.841 1.00 0.00 C ATOM 1020 CZ3 TRP A 70 1.455 6.519 -5.538 1.00 0.00 C ATOM 1021 CH2 TRP A 70 1.904 7.613 -4.791 1.00 0.00 C ATOM 0 H TRP A 70 -4.818 6.222 -3.415 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.686 5.931 -6.141 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.027 4.420 -3.589 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.126 4.417 -5.092 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.076 7.073 -2.370 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -1.087 8.697 -2.123 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.131 5.140 -5.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 1.435 9.030 -3.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.091 6.091 -6.299 1.00 0.00 H new ATOM 0 HH2 TRP A 70 2.890 8.015 -4.971 1.00 0.00 H new ATOM 1032 N THR A 71 -5.034 3.925 -6.652 1.00 0.00 N ATOM 1033 CA THR A 71 -5.913 2.820 -6.980 1.00 0.00 C ATOM 1034 C THR A 71 -5.127 1.696 -7.624 1.00 0.00 C ATOM 1035 O THR A 71 -4.160 1.948 -8.354 1.00 0.00 O ATOM 1036 CB THR A 71 -7.044 3.279 -7.919 1.00 0.00 C ATOM 1037 OG1 THR A 71 -6.548 4.254 -8.848 1.00 0.00 O ATOM 1038 CG2 THR A 71 -8.196 3.865 -7.119 1.00 0.00 C ATOM 0 H THR A 71 -4.547 4.331 -7.451 1.00 0.00 H new ATOM 0 HA THR A 71 -6.360 2.456 -6.055 1.00 0.00 H new ATOM 0 HB THR A 71 -7.408 2.413 -8.471 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.274 4.539 -9.442 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.986 4.184 -7.799 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.587 3.110 -6.437 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.842 4.722 -6.546 1.00 0.00 H new ATOM 1046 N PHE A 72 -5.505 0.456 -7.338 1.00 0.00 N ATOM 1047 CA PHE A 72 -4.827 -0.667 -7.952 1.00 0.00 C ATOM 1048 C PHE A 72 -5.701 -1.914 -8.015 1.00 0.00 C ATOM 1049 O PHE A 72 -6.641 -2.089 -7.238 1.00 0.00 O ATOM 1050 CB PHE A 72 -3.511 -0.989 -7.227 1.00 0.00 C ATOM 1051 CG PHE A 72 -3.687 -1.711 -5.921 1.00 0.00 C ATOM 1052 CD1 PHE A 72 -4.245 -1.072 -4.831 1.00 0.00 C ATOM 1053 CD2 PHE A 72 -3.288 -3.032 -5.786 1.00 0.00 C ATOM 1054 CE1 PHE A 72 -4.406 -1.732 -3.627 1.00 0.00 C ATOM 1055 CE2 PHE A 72 -3.446 -3.700 -4.588 1.00 0.00 C ATOM 1056 CZ PHE A 72 -4.007 -3.049 -3.506 1.00 0.00 C ATOM 0 H PHE A 72 -6.261 0.210 -6.699 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.605 -0.365 -8.975 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.887 -1.596 -7.883 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.973 -0.059 -7.045 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.560 -0.043 -4.921 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.848 -3.545 -6.629 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.843 -1.219 -2.783 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.132 -4.729 -4.497 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.133 -3.569 -2.568 1.00 0.00 H new ATOM 1066 N SER A 73 -5.365 -2.768 -8.960 1.00 0.00 N ATOM 1067 CA SER A 73 -5.994 -4.065 -9.111 1.00 0.00 C ATOM 1068 C SER A 73 -4.943 -5.079 -9.529 1.00 0.00 C ATOM 1069 O SER A 73 -4.034 -4.753 -10.294 1.00 0.00 O ATOM 1070 CB SER A 73 -7.107 -3.999 -10.151 1.00 0.00 C ATOM 1071 OG SER A 73 -6.633 -3.437 -11.366 1.00 0.00 O ATOM 0 H SER A 73 -4.640 -2.580 -9.652 1.00 0.00 H new ATOM 0 HA SER A 73 -6.435 -4.366 -8.161 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.497 -5.000 -10.336 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.934 -3.401 -9.767 1.00 0.00 H new ATOM 0 HG SER A 73 -7.363 -3.406 -12.019 1.00 0.00 H new ATOM 1077 N ALA A 74 -5.046 -6.294 -9.018 1.00 0.00 N ATOM 1078 CA ALA A 74 -4.030 -7.297 -9.279 1.00 0.00 C ATOM 1079 C ALA A 74 -4.567 -8.720 -9.215 1.00 0.00 C ATOM 1080 O ALA A 74 -5.374 -9.058 -8.347 1.00 0.00 O ATOM 1081 CB ALA A 74 -2.908 -7.131 -8.274 1.00 0.00 C ATOM 0 H ALA A 74 -5.815 -6.607 -8.426 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.671 -7.143 -10.297 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.138 -7.880 -8.461 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.476 -6.135 -8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.301 -7.258 -7.265 1.00 0.00 H new ATOM 1087 N SER A 75 -4.121 -9.545 -10.150 1.00 0.00 N ATOM 1088 CA SER A 75 -4.301 -10.980 -10.050 1.00 0.00 C ATOM 1089 C SER A 75 -3.083 -11.547 -9.329 1.00 0.00 C ATOM 1090 O SER A 75 -2.006 -11.691 -9.913 1.00 0.00 O ATOM 1091 CB SER A 75 -4.457 -11.604 -11.444 1.00 0.00 C ATOM 1092 OG SER A 75 -4.740 -12.993 -11.367 1.00 0.00 O ATOM 0 H SER A 75 -3.629 -9.240 -10.990 1.00 0.00 H new ATOM 0 HA SER A 75 -5.208 -11.214 -9.493 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.259 -11.098 -11.982 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.542 -11.450 -12.017 1.00 0.00 H new ATOM 0 HG SER A 75 -4.835 -13.358 -12.271 1.00 0.00 H new ATOM 1098 N VAL A 76 -3.253 -11.836 -8.047 1.00 0.00 N ATOM 1099 CA VAL A 76 -2.136 -12.203 -7.190 1.00 0.00 C ATOM 1100 C VAL A 76 -1.896 -13.710 -7.202 1.00 0.00 C ATOM 1101 O VAL A 76 -2.780 -14.490 -7.559 1.00 0.00 O ATOM 1102 CB VAL A 76 -2.370 -11.725 -5.734 1.00 0.00 C ATOM 1103 CG1 VAL A 76 -2.453 -10.209 -5.675 1.00 0.00 C ATOM 1104 CG2 VAL A 76 -3.635 -12.334 -5.156 1.00 0.00 C ATOM 0 H VAL A 76 -4.158 -11.823 -7.576 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.251 -11.707 -7.588 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.522 -12.057 -5.136 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.617 -9.893 -4.645 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.521 -9.779 -6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.280 -9.865 -6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.774 -11.982 -4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.491 -12.038 -5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.549 -13.421 -5.156 1.00 0.00 H new ATOM 1114 N LYS A 77 -0.694 -14.106 -6.798 1.00 0.00 N ATOM 1115 CA LYS A 77 -0.313 -15.516 -6.745 1.00 0.00 C ATOM 1116 C LYS A 77 -0.657 -16.068 -5.371 1.00 0.00 C ATOM 1117 O LYS A 77 -0.005 -16.984 -4.867 1.00 0.00 O ATOM 1118 CB LYS A 77 1.196 -15.702 -6.992 1.00 0.00 C ATOM 1119 CG LYS A 77 1.744 -15.004 -8.233 1.00 0.00 C ATOM 1120 CD LYS A 77 2.026 -13.526 -7.976 1.00 0.00 C ATOM 1121 CE LYS A 77 3.128 -13.323 -6.941 1.00 0.00 C ATOM 1122 NZ LYS A 77 4.486 -13.541 -7.505 1.00 0.00 N ATOM 0 H LYS A 77 0.041 -13.465 -6.499 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.857 -16.047 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.738 -15.336 -6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.406 -16.769 -7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.661 -15.499 -8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.029 -15.101 -9.050 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.314 -13.045 -8.911 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.114 -13.038 -7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.063 -12.312 -6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.970 -14.008 -6.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.202 -13.277 -6.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.601 -14.544 -7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.607 -12.955 -8.356 1.00 0.00 H new ATOM 1136 N GLY A 78 -1.689 -15.494 -4.779 1.00 0.00 N ATOM 1137 CA GLY A 78 -2.009 -15.772 -3.400 1.00 0.00 C ATOM 1138 C GLY A 78 -1.281 -14.812 -2.485 1.00 0.00 C ATOM 1139 O GLY A 78 -0.173 -14.381 -2.798 1.00 0.00 O ATOM 0 H GLY A 78 -2.317 -14.833 -5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.085 -15.687 -3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.732 -16.798 -3.156 1.00 0.00 H new ATOM 1143 N ILE A 79 -1.898 -14.445 -1.377 1.00 0.00 N ATOM 1144 CA ILE A 79 -1.274 -13.517 -0.448 1.00 0.00 C ATOM 1145 C ILE A 79 -1.591 -13.877 0.991 1.00 0.00 C ATOM 1146 O ILE A 79 -2.746 -14.054 1.375 1.00 0.00 O ATOM 1147 CB ILE A 79 -1.666 -12.050 -0.749 1.00 0.00 C ATOM 1148 CG1 ILE A 79 -1.312 -11.115 0.410 1.00 0.00 C ATOM 1149 CG2 ILE A 79 -3.143 -11.928 -1.089 1.00 0.00 C ATOM 1150 CD1 ILE A 79 -1.642 -9.664 0.129 1.00 0.00 C ATOM 0 H ILE A 79 -2.823 -14.771 -1.098 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.196 -13.604 -0.587 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.085 -11.744 -1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.847 -11.436 1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.248 -11.203 0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.384 -10.885 -1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.365 -12.532 -1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.740 -12.279 -0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.367 -9.055 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.086 -9.327 -0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.711 -9.564 -0.059 1.00 0.00 H new ATOM 1162 N LYS A 80 -0.537 -14.005 1.768 1.00 0.00 N ATOM 1163 CA LYS A 80 -0.647 -14.367 3.169 1.00 0.00 C ATOM 1164 C LYS A 80 -0.690 -13.121 4.030 1.00 0.00 C ATOM 1165 O LYS A 80 -1.451 -13.046 4.985 1.00 0.00 O ATOM 1166 CB LYS A 80 0.532 -15.241 3.598 1.00 0.00 C ATOM 1167 CG LYS A 80 0.568 -16.612 2.945 1.00 0.00 C ATOM 1168 CD LYS A 80 -0.661 -17.435 3.297 1.00 0.00 C ATOM 1169 CE LYS A 80 -0.393 -18.920 3.140 1.00 0.00 C ATOM 1170 NZ LYS A 80 0.539 -19.419 4.182 1.00 0.00 N ATOM 0 H LYS A 80 0.421 -13.862 1.449 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.570 -14.931 3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.460 -14.717 3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.499 -15.368 4.680 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.632 -16.498 1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.465 -17.143 3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.961 -17.224 4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.493 -17.143 2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.333 -19.468 3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.027 -19.112 2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.213 -20.085 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.058 -18.618 4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.001 -19.903 4.927 1.00 0.00 H new ATOM 1184 N GLU A 81 0.140 -12.150 3.689 1.00 0.00 N ATOM 1185 CA GLU A 81 0.210 -10.900 4.432 1.00 0.00 C ATOM 1186 C GLU A 81 0.861 -9.838 3.564 1.00 0.00 C ATOM 1187 O GLU A 81 1.410 -10.178 2.521 1.00 0.00 O ATOM 1188 CB GLU A 81 1.012 -11.116 5.707 1.00 0.00 C ATOM 1189 CG GLU A 81 2.487 -11.361 5.465 1.00 0.00 C ATOM 1190 CD GLU A 81 3.254 -11.653 6.734 1.00 0.00 C ATOM 1191 OE1 GLU A 81 3.523 -10.708 7.502 1.00 0.00 O ATOM 1192 OE2 GLU A 81 3.605 -12.825 6.958 1.00 0.00 O ATOM 0 H GLU A 81 0.780 -12.203 2.896 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.792 -10.568 4.702 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.899 -10.243 6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.596 -11.966 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.602 -12.198 4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.920 -10.487 4.979 1.00 0.00 H new ATOM 1199 N PHE A 82 0.810 -8.564 3.960 1.00 0.00 N ATOM 1200 CA PHE A 82 1.452 -7.533 3.147 1.00 0.00 C ATOM 1201 C PHE A 82 1.514 -6.210 3.872 1.00 0.00 C ATOM 1202 O PHE A 82 0.951 -6.053 4.961 1.00 0.00 O ATOM 1203 CB PHE A 82 0.735 -7.372 1.793 1.00 0.00 C ATOM 1204 CG PHE A 82 -0.447 -6.445 1.755 1.00 0.00 C ATOM 1205 CD1 PHE A 82 -1.474 -6.567 2.662 1.00 0.00 C ATOM 1206 CD2 PHE A 82 -0.547 -5.487 0.763 1.00 0.00 C ATOM 1207 CE1 PHE A 82 -2.579 -5.747 2.588 1.00 0.00 C ATOM 1208 CE2 PHE A 82 -1.646 -4.656 0.688 1.00 0.00 C ATOM 1209 CZ PHE A 82 -2.667 -4.787 1.603 1.00 0.00 C ATOM 0 H PHE A 82 0.349 -8.231 4.807 1.00 0.00 H new ATOM 0 HA PHE A 82 2.475 -7.859 2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.464 -7.022 1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.404 -8.357 1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.414 -7.313 3.440 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.246 -5.388 0.037 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.379 -5.857 3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.705 -3.905 -0.086 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.531 -4.142 1.549 1.00 0.00 H new ATOM 1219 N TYR A 83 2.214 -5.278 3.254 1.00 0.00 N ATOM 1220 CA TYR A 83 2.305 -3.919 3.736 1.00 0.00 C ATOM 1221 C TYR A 83 2.853 -3.058 2.605 1.00 0.00 C ATOM 1222 O TYR A 83 3.575 -3.556 1.732 1.00 0.00 O ATOM 1223 CB TYR A 83 3.160 -3.836 5.020 1.00 0.00 C ATOM 1224 CG TYR A 83 4.668 -3.874 4.851 1.00 0.00 C ATOM 1225 CD1 TYR A 83 5.293 -4.708 3.930 1.00 0.00 C ATOM 1226 CD2 TYR A 83 5.470 -3.064 5.643 1.00 0.00 C ATOM 1227 CE1 TYR A 83 6.672 -4.725 3.808 1.00 0.00 C ATOM 1228 CE2 TYR A 83 6.843 -3.080 5.525 1.00 0.00 C ATOM 1229 CZ TYR A 83 7.438 -3.910 4.606 1.00 0.00 C ATOM 1230 OH TYR A 83 8.809 -3.925 4.484 1.00 0.00 O ATOM 0 H TYR A 83 2.739 -5.447 2.396 1.00 0.00 H new ATOM 0 HA TYR A 83 1.321 -3.547 4.020 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.901 -2.913 5.540 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.872 -4.661 5.672 1.00 0.00 H new ATOM 0 HD1 TYR A 83 4.695 -5.351 3.302 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.009 -2.408 6.366 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.144 -5.377 3.088 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.449 -2.443 6.152 1.00 0.00 H new ATOM 0 HH TYR A 83 9.142 -3.005 4.420 1.00 0.00 H new ATOM 1240 N ILE A 84 2.476 -1.798 2.568 1.00 0.00 N ATOM 1241 CA ILE A 84 2.833 -0.968 1.437 1.00 0.00 C ATOM 1242 C ILE A 84 4.124 -0.216 1.700 1.00 0.00 C ATOM 1243 O ILE A 84 4.337 0.323 2.789 1.00 0.00 O ATOM 1244 CB ILE A 84 1.724 0.038 1.064 1.00 0.00 C ATOM 1245 CG1 ILE A 84 0.337 -0.605 1.165 1.00 0.00 C ATOM 1246 CG2 ILE A 84 1.961 0.551 -0.345 1.00 0.00 C ATOM 1247 CD1 ILE A 84 0.171 -1.847 0.320 1.00 0.00 C ATOM 0 H ILE A 84 1.932 -1.332 3.294 1.00 0.00 H new ATOM 0 HA ILE A 84 2.968 -1.647 0.595 1.00 0.00 H new ATOM 0 HB ILE A 84 1.759 0.870 1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.140 -0.858 2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.414 0.127 0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.178 1.262 -0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.931 1.045 -0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.944 -0.285 -1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.837 -2.241 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.334 -1.598 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.897 -2.599 0.631 1.00 0.00 H new ATOM 1259 N LYS A 85 4.985 -0.193 0.696 1.00 0.00 N ATOM 1260 CA LYS A 85 6.250 0.509 0.790 1.00 0.00 C ATOM 1261 C LYS A 85 6.081 1.898 0.215 1.00 0.00 C ATOM 1262 O LYS A 85 5.980 2.074 -1.003 1.00 0.00 O ATOM 1263 CB LYS A 85 7.338 -0.239 0.023 1.00 0.00 C ATOM 1264 CG LYS A 85 7.388 -1.717 0.343 1.00 0.00 C ATOM 1265 CD LYS A 85 8.360 -2.039 1.464 1.00 0.00 C ATOM 1266 CE LYS A 85 9.806 -1.797 1.052 1.00 0.00 C ATOM 1267 NZ LYS A 85 10.762 -2.259 2.094 1.00 0.00 N ATOM 0 H LYS A 85 4.827 -0.657 -0.199 1.00 0.00 H new ATOM 0 HA LYS A 85 6.550 0.571 1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.172 -0.111 -1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.306 0.208 0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.391 -2.058 0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.675 -2.269 -0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.124 -1.428 2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.237 -3.080 1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.009 -2.317 0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.958 -0.734 0.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.732 -2.203 1.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.677 -1.654 2.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.546 -3.243 2.352 1.00 0.00 H new ATOM 1281 N TYR A 86 6.017 2.869 1.098 1.00 0.00 N ATOM 1282 CA TYR A 86 5.850 4.255 0.701 1.00 0.00 C ATOM 1283 C TYR A 86 7.211 4.865 0.421 1.00 0.00 C ATOM 1284 O TYR A 86 7.940 5.220 1.347 1.00 0.00 O ATOM 1285 CB TYR A 86 5.125 5.043 1.797 1.00 0.00 C ATOM 1286 CG TYR A 86 4.917 6.503 1.459 1.00 0.00 C ATOM 1287 CD1 TYR A 86 4.385 6.874 0.239 1.00 0.00 C ATOM 1288 CD2 TYR A 86 5.250 7.504 2.356 1.00 0.00 C ATOM 1289 CE1 TYR A 86 4.191 8.195 -0.086 1.00 0.00 C ATOM 1290 CE2 TYR A 86 5.059 8.837 2.041 1.00 0.00 C ATOM 1291 CZ TYR A 86 4.528 9.177 0.818 1.00 0.00 C ATOM 1292 OH TYR A 86 4.340 10.502 0.495 1.00 0.00 O ATOM 0 H TYR A 86 6.078 2.725 2.106 1.00 0.00 H new ATOM 0 HA TYR A 86 5.244 4.299 -0.204 1.00 0.00 H new ATOM 0 HB2 TYR A 86 4.156 4.581 1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.696 4.971 2.722 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.116 6.109 -0.475 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.666 7.239 3.317 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.776 8.462 -1.047 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.325 9.606 2.751 1.00 0.00 H new ATOM 0 HH TYR A 86 3.490 10.813 0.871 1.00 0.00 H new ATOM 1302 N GLU A 87 7.550 4.992 -0.851 1.00 0.00 N ATOM 1303 CA GLU A 87 8.873 5.424 -1.220 1.00 0.00 C ATOM 1304 C GLU A 87 8.804 6.773 -1.904 1.00 0.00 C ATOM 1305 O GLU A 87 8.095 6.960 -2.896 1.00 0.00 O ATOM 1306 CB GLU A 87 9.553 4.399 -2.123 1.00 0.00 C ATOM 1307 CG GLU A 87 11.065 4.452 -2.028 1.00 0.00 C ATOM 1308 CD GLU A 87 11.759 3.499 -2.978 1.00 0.00 C ATOM 1309 OE1 GLU A 87 11.401 2.301 -3.001 1.00 0.00 O ATOM 1310 OE2 GLU A 87 12.681 3.943 -3.699 1.00 0.00 O ATOM 0 H GLU A 87 6.927 4.802 -1.636 1.00 0.00 H new ATOM 0 HA GLU A 87 9.471 5.517 -0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.210 3.400 -1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.251 4.573 -3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.400 5.468 -2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.366 4.219 -1.007 1.00 0.00 H new ATOM 1317 N VAL A 88 9.521 7.712 -1.345 1.00 0.00 N ATOM 1318 CA VAL A 88 9.560 9.057 -1.856 1.00 0.00 C ATOM 1319 C VAL A 88 10.958 9.319 -2.393 1.00 0.00 C ATOM 1320 O VAL A 88 11.883 8.567 -2.090 1.00 0.00 O ATOM 1321 CB VAL A 88 9.198 10.052 -0.733 1.00 0.00 C ATOM 1322 CG1 VAL A 88 8.921 11.441 -1.286 1.00 0.00 C ATOM 1323 CG2 VAL A 88 8.003 9.521 0.050 1.00 0.00 C ATOM 0 H VAL A 88 10.098 7.564 -0.517 1.00 0.00 H new ATOM 0 HA VAL A 88 8.835 9.186 -2.660 1.00 0.00 H new ATOM 0 HB VAL A 88 10.050 10.145 -0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.669 12.115 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.807 11.811 -1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.087 11.394 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.747 10.223 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.151 9.404 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.255 8.555 0.488 1.00 0.00 H new ATOM 1333 N SER A 89 11.113 10.363 -3.195 1.00 0.00 N ATOM 1334 CA SER A 89 12.397 10.679 -3.815 1.00 0.00 C ATOM 1335 C SER A 89 13.390 11.228 -2.780 1.00 0.00 C ATOM 1336 O SER A 89 14.367 11.893 -3.124 1.00 0.00 O ATOM 1337 CB SER A 89 12.184 11.675 -4.955 1.00 0.00 C ATOM 1338 OG SER A 89 13.376 11.896 -5.689 1.00 0.00 O ATOM 0 H SER A 89 10.362 11.010 -3.434 1.00 0.00 H new ATOM 0 HA SER A 89 12.827 9.764 -4.222 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.409 11.302 -5.624 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.826 12.621 -4.549 1.00 0.00 H new ATOM 0 HG SER A 89 14.127 12.006 -5.069 1.00 0.00 H new ATOM 1344 N GLY A 90 13.125 10.936 -1.518 1.00 0.00 N ATOM 1345 CA GLY A 90 13.984 11.357 -0.445 1.00 0.00 C ATOM 1346 C GLY A 90 13.722 10.576 0.829 1.00 0.00 C ATOM 1347 O GLY A 90 14.655 10.179 1.526 1.00 0.00 O ATOM 0 H GLY A 90 12.309 10.402 -1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 90 15.025 11.229 -0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.835 12.420 -0.256 1.00 0.00 H new ATOM 1351 N LYS A 91 12.448 10.331 1.121 1.00 0.00 N ATOM 1352 CA LYS A 91 12.055 9.707 2.365 1.00 0.00 C ATOM 1353 C LYS A 91 11.373 8.362 2.090 1.00 0.00 C ATOM 1354 O LYS A 91 11.045 8.051 0.946 1.00 0.00 O ATOM 1355 CB LYS A 91 11.103 10.655 3.093 1.00 0.00 C ATOM 1356 CG LYS A 91 10.972 10.382 4.569 1.00 0.00 C ATOM 1357 CD LYS A 91 12.234 10.758 5.326 1.00 0.00 C ATOM 1358 CE LYS A 91 12.023 10.673 6.830 1.00 0.00 C ATOM 1359 NZ LYS A 91 11.020 11.663 7.313 1.00 0.00 N ATOM 0 H LYS A 91 11.670 10.560 0.503 1.00 0.00 H new ATOM 0 HA LYS A 91 12.931 9.515 2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.450 11.679 2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.117 10.587 2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.127 10.943 4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.755 9.325 4.725 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.048 10.095 5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.535 11.770 5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.695 9.667 7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.972 10.842 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.054 11.713 8.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.236 12.599 6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.069 11.369 7.012 1.00 0.00 H new ATOM 1373 N THR A 92 11.183 7.555 3.129 1.00 0.00 N ATOM 1374 CA THR A 92 10.451 6.302 3.003 1.00 0.00 C ATOM 1375 C THR A 92 9.677 6.020 4.286 1.00 0.00 C ATOM 1376 O THR A 92 10.128 6.363 5.378 1.00 0.00 O ATOM 1377 CB THR A 92 11.395 5.114 2.716 1.00 0.00 C ATOM 1378 OG1 THR A 92 12.345 5.480 1.705 1.00 0.00 O ATOM 1379 CG2 THR A 92 10.619 3.884 2.253 1.00 0.00 C ATOM 0 H THR A 92 11.527 7.748 4.070 1.00 0.00 H new ATOM 0 HA THR A 92 9.765 6.408 2.163 1.00 0.00 H new ATOM 0 HB THR A 92 11.911 4.867 3.644 1.00 0.00 H new ATOM 0 HG1 THR A 92 12.942 4.723 1.528 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.314 3.067 2.060 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.914 3.585 3.029 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.074 4.120 1.339 1.00 0.00 H new ATOM 1387 N TYR A 93 8.509 5.416 4.138 1.00 0.00 N ATOM 1388 CA TYR A 93 7.689 5.001 5.274 1.00 0.00 C ATOM 1389 C TYR A 93 7.029 3.673 4.939 1.00 0.00 C ATOM 1390 O TYR A 93 7.359 3.044 3.929 1.00 0.00 O ATOM 1391 CB TYR A 93 6.606 6.036 5.615 1.00 0.00 C ATOM 1392 CG TYR A 93 7.116 7.434 5.825 1.00 0.00 C ATOM 1393 CD1 TYR A 93 7.608 7.856 7.051 1.00 0.00 C ATOM 1394 CD2 TYR A 93 7.088 8.327 4.786 1.00 0.00 C ATOM 1395 CE1 TYR A 93 8.063 9.148 7.223 1.00 0.00 C ATOM 1396 CE2 TYR A 93 7.537 9.623 4.938 1.00 0.00 C ATOM 1397 CZ TYR A 93 8.025 10.030 6.162 1.00 0.00 C ATOM 1398 OH TYR A 93 8.478 11.318 6.326 1.00 0.00 O ATOM 0 H TYR A 93 8.099 5.198 3.230 1.00 0.00 H new ATOM 0 HA TYR A 93 8.338 4.906 6.145 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.870 6.049 4.811 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.087 5.714 6.518 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.636 7.166 7.881 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.706 8.010 3.827 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.446 9.466 8.181 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.507 10.312 4.107 1.00 0.00 H new ATOM 0 HH TYR A 93 8.251 11.632 7.226 1.00 0.00 H new ATOM 1408 N TYR A 94 6.071 3.273 5.753 1.00 0.00 N ATOM 1409 CA TYR A 94 5.443 1.964 5.627 1.00 0.00 C ATOM 1410 C TYR A 94 3.969 2.009 6.021 1.00 0.00 C ATOM 1411 O TYR A 94 3.597 2.683 6.983 1.00 0.00 O ATOM 1412 CB TYR A 94 6.153 0.941 6.518 1.00 0.00 C ATOM 1413 CG TYR A 94 7.496 0.473 5.999 1.00 0.00 C ATOM 1414 CD1 TYR A 94 7.631 0.003 4.701 1.00 0.00 C ATOM 1415 CD2 TYR A 94 8.615 0.456 6.822 1.00 0.00 C ATOM 1416 CE1 TYR A 94 8.840 -0.467 4.237 1.00 0.00 C ATOM 1417 CE2 TYR A 94 9.833 -0.005 6.359 1.00 0.00 C ATOM 1418 CZ TYR A 94 9.938 -0.469 5.066 1.00 0.00 C ATOM 1419 OH TYR A 94 11.141 -0.947 4.600 1.00 0.00 O ATOM 0 H TYR A 94 5.705 3.840 6.518 1.00 0.00 H new ATOM 0 HA TYR A 94 5.523 1.671 4.580 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.293 1.377 7.507 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.504 0.074 6.640 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.774 0.006 4.043 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.532 0.808 7.839 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.926 -0.833 3.225 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.697 -0.002 7.007 1.00 0.00 H new ATOM 0 HH TYR A 94 11.816 -0.879 5.307 1.00 0.00 H new ATOM 1429 N ASP A 95 3.147 1.288 5.273 1.00 0.00 N ATOM 1430 CA ASP A 95 1.749 1.071 5.638 1.00 0.00 C ATOM 1431 C ASP A 95 1.565 -0.388 6.038 1.00 0.00 C ATOM 1432 O ASP A 95 1.417 -1.262 5.186 1.00 0.00 O ATOM 1433 CB ASP A 95 0.813 1.419 4.478 1.00 0.00 C ATOM 1434 CG ASP A 95 -0.642 1.102 4.782 1.00 0.00 C ATOM 1435 OD1 ASP A 95 -1.290 1.888 5.501 1.00 0.00 O ATOM 1436 OD2 ASP A 95 -1.138 0.061 4.301 1.00 0.00 O ATOM 0 H ASP A 95 3.425 0.838 4.401 1.00 0.00 H new ATOM 0 HA ASP A 95 1.497 1.723 6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.908 2.480 4.245 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.122 0.869 3.589 1.00 0.00 H new ATOM 1441 N ASN A 96 1.619 -0.650 7.334 1.00 0.00 N ATOM 1442 CA ASN A 96 1.574 -2.016 7.846 1.00 0.00 C ATOM 1443 C ASN A 96 0.670 -2.105 9.067 1.00 0.00 C ATOM 1444 O ASN A 96 0.975 -2.844 10.016 1.00 0.00 O ATOM 1445 CB ASN A 96 2.990 -2.493 8.218 1.00 0.00 C ATOM 1446 CG ASN A 96 3.637 -1.662 9.321 1.00 0.00 C ATOM 1447 OD1 ASN A 96 3.381 -0.464 9.452 1.00 0.00 O ATOM 1448 ND2 ASN A 96 4.483 -2.290 10.126 1.00 0.00 N ATOM 0 H ASN A 96 1.694 0.067 8.056 1.00 0.00 H new ATOM 0 HA ASN A 96 1.171 -2.658 7.062 1.00 0.00 H new ATOM 0 HB2 ASN A 96 2.943 -3.534 8.537 1.00 0.00 H new ATOM 0 HB3 ASN A 96 3.622 -2.460 7.330 1.00 0.00 H new ATOM 0 HD21 ASN A 96 4.943 -1.780 10.880 1.00 0.00 H new ATOM 0 HD22 ASN A 96 4.674 -3.283 9.991 1.00 0.00 H new ATOM 1455 N ASN A 97 -0.451 -1.377 9.023 1.00 0.00 N ATOM 1456 CA ASN A 97 -1.314 -1.172 10.196 1.00 0.00 C ATOM 1457 C ASN A 97 -0.622 -0.252 11.195 1.00 0.00 C ATOM 1458 O ASN A 97 -1.089 0.850 11.483 1.00 0.00 O ATOM 1459 CB ASN A 97 -1.677 -2.496 10.893 1.00 0.00 C ATOM 1460 CG ASN A 97 -2.896 -3.179 10.312 1.00 0.00 C ATOM 1461 OD1 ASN A 97 -4.028 -2.859 10.670 1.00 0.00 O ATOM 1462 ND2 ASN A 97 -2.678 -4.156 9.448 1.00 0.00 N ATOM 0 H ASN A 97 -0.786 -0.914 8.178 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.238 -0.718 9.839 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.827 -3.175 10.828 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.851 -2.303 11.952 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.464 -4.673 9.054 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.724 -4.392 9.175 1.00 0.00 H new ATOM 1469 N ASN A 98 0.505 -0.729 11.698 1.00 0.00 N ATOM 1470 CA ASN A 98 1.337 -0.003 12.644 1.00 0.00 C ATOM 1471 C ASN A 98 2.558 -0.869 12.925 1.00 0.00 C ATOM 1472 O ASN A 98 3.700 -0.457 12.737 1.00 0.00 O ATOM 1473 CB ASN A 98 0.564 0.286 13.937 1.00 0.00 C ATOM 1474 CG ASN A 98 1.248 1.308 14.827 1.00 0.00 C ATOM 1475 OD1 ASN A 98 2.474 1.389 14.884 1.00 0.00 O ATOM 1476 ND2 ASN A 98 0.452 2.115 15.511 1.00 0.00 N ATOM 0 H ASN A 98 0.874 -1.649 11.456 1.00 0.00 H new ATOM 0 HA ASN A 98 1.638 0.960 12.231 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -0.434 0.644 13.684 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.438 -0.643 14.493 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.851 2.836 16.112 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.560 2.016 15.437 1.00 0.00 H new ATOM 1483 N SER A 99 2.280 -2.088 13.360 1.00 0.00 N ATOM 1484 CA SER A 99 3.285 -3.130 13.503 1.00 0.00 C ATOM 1485 C SER A 99 2.586 -4.484 13.457 1.00 0.00 C ATOM 1486 O SER A 99 2.641 -5.259 14.412 1.00 0.00 O ATOM 1487 CB SER A 99 4.055 -2.977 14.824 1.00 0.00 C ATOM 1488 OG SER A 99 4.718 -1.726 14.891 1.00 0.00 O ATOM 0 H SER A 99 1.341 -2.385 13.626 1.00 0.00 H new ATOM 0 HA SER A 99 4.006 -3.050 12.690 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.365 -3.071 15.663 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.783 -3.783 14.919 1.00 0.00 H new ATOM 0 HG SER A 99 4.745 -1.322 13.999 1.00 0.00 H new ATOM 1494 N ALA A 100 1.901 -4.756 12.347 1.00 0.00 N ATOM 1495 CA ALA A 100 1.039 -5.927 12.274 1.00 0.00 C ATOM 1496 C ALA A 100 1.145 -6.677 10.948 1.00 0.00 C ATOM 1497 O ALA A 100 1.299 -7.899 10.958 1.00 0.00 O ATOM 1498 CB ALA A 100 -0.404 -5.516 12.517 1.00 0.00 C ATOM 0 H ALA A 100 1.927 -4.189 11.500 1.00 0.00 H new ATOM 0 HA ALA A 100 1.378 -6.614 13.049 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.047 -6.395 12.462 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.492 -5.064 13.505 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.709 -4.795 11.759 1.00 0.00 H new ATOM 1504 N ASN A 101 1.052 -5.953 9.816 1.00 0.00 N ATOM 1505 CA ASN A 101 0.912 -6.590 8.486 1.00 0.00 C ATOM 1506 C ASN A 101 -0.496 -7.129 8.337 1.00 0.00 C ATOM 1507 O ASN A 101 -1.111 -7.583 9.302 1.00 0.00 O ATOM 1508 CB ASN A 101 1.939 -7.713 8.271 1.00 0.00 C ATOM 1509 CG ASN A 101 3.308 -7.190 7.884 1.00 0.00 C ATOM 1510 OD1 ASN A 101 3.620 -6.017 8.084 1.00 0.00 O ATOM 1511 ND2 ASN A 101 4.148 -8.068 7.366 1.00 0.00 N ATOM 0 H ASN A 101 1.071 -4.933 9.792 1.00 0.00 H new ATOM 0 HA ASN A 101 1.104 -5.833 7.725 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.025 -8.301 9.185 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.578 -8.385 7.492 1.00 0.00 H new ATOM 0 HD21 ASN A 101 5.095 -7.782 7.116 1.00 0.00 H new ATOM 0 HD22 ASN A 101 3.850 -9.032 7.216 1.00 0.00 H new ATOM 1518 N TYR A 102 -1.034 -7.033 7.142 1.00 0.00 N ATOM 1519 CA TYR A 102 -2.373 -7.521 6.895 1.00 0.00 C ATOM 1520 C TYR A 102 -2.287 -8.956 6.436 1.00 0.00 C ATOM 1521 O TYR A 102 -1.981 -9.220 5.273 1.00 0.00 O ATOM 1522 CB TYR A 102 -3.093 -6.683 5.836 1.00 0.00 C ATOM 1523 CG TYR A 102 -2.869 -5.194 5.972 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -1.692 -4.618 5.525 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -3.825 -4.370 6.547 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -1.461 -3.269 5.650 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -3.606 -3.011 6.674 1.00 0.00 C ATOM 1528 CZ TYR A 102 -2.422 -2.464 6.226 1.00 0.00 C ATOM 1529 OH TYR A 102 -2.194 -1.118 6.377 1.00 0.00 O ATOM 0 H TYR A 102 -0.569 -6.625 6.331 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.946 -7.447 7.819 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.760 -7.001 4.848 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.162 -6.886 5.893 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -0.939 -5.243 5.068 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.753 -4.796 6.900 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.533 -2.842 5.300 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.359 -2.380 7.122 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.123 -0.697 5.495 1.00 0.00 H new ATOM 1539 N GLN A 103 -2.478 -9.880 7.364 1.00 0.00 N ATOM 1540 CA GLN A 103 -2.553 -11.285 7.015 1.00 0.00 C ATOM 1541 C GLN A 103 -3.918 -11.570 6.415 1.00 0.00 C ATOM 1542 O GLN A 103 -4.940 -11.543 7.100 1.00 0.00 O ATOM 1543 CB GLN A 103 -2.261 -12.200 8.210 1.00 0.00 C ATOM 1544 CG GLN A 103 -2.764 -11.666 9.532 1.00 0.00 C ATOM 1545 CD GLN A 103 -1.696 -10.924 10.324 1.00 0.00 C ATOM 1546 OE1 GLN A 103 -1.745 -10.878 11.555 1.00 0.00 O ATOM 1547 NE2 GLN A 103 -0.713 -10.362 9.637 1.00 0.00 N ATOM 0 H GLN A 103 -2.583 -9.682 8.359 1.00 0.00 H new ATOM 0 HA GLN A 103 -1.779 -11.503 6.279 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.714 -13.174 8.027 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -1.185 -12.357 8.279 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -3.604 -10.995 9.350 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.142 -12.494 10.131 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.705 -10.420 8.619 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.036 -9.871 10.126 1.00 0.00 H new ATOM 1556 N VAL A 104 -3.908 -11.849 5.133 1.00 0.00 N ATOM 1557 CA VAL A 104 -5.114 -11.881 4.326 1.00 0.00 C ATOM 1558 C VAL A 104 -5.879 -13.182 4.508 1.00 0.00 C ATOM 1559 O VAL A 104 -5.295 -14.240 4.752 1.00 0.00 O ATOM 1560 CB VAL A 104 -4.769 -11.711 2.832 1.00 0.00 C ATOM 1561 CG1 VAL A 104 -6.029 -11.556 1.999 1.00 0.00 C ATOM 1562 CG2 VAL A 104 -3.834 -10.529 2.621 1.00 0.00 C ATOM 0 H VAL A 104 -3.057 -12.063 4.612 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.743 -11.056 4.660 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.254 -12.613 2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.759 -11.438 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.653 -12.442 2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.580 -10.677 2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.606 -10.430 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.315 -9.617 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.911 -10.692 3.177 1.00 0.00 H new ATOM 1572 N SER A 105 -7.193 -13.091 4.381 1.00 0.00 N ATOM 1573 CA SER A 105 -8.049 -14.259 4.444 1.00 0.00 C ATOM 1574 C SER A 105 -8.156 -14.878 3.055 1.00 0.00 C ATOM 1575 O SER A 105 -9.110 -14.624 2.322 1.00 0.00 O ATOM 1576 CB SER A 105 -9.438 -13.879 4.963 1.00 0.00 C ATOM 1577 OG SER A 105 -9.367 -13.256 6.237 1.00 0.00 O ATOM 0 H SER A 105 -7.690 -12.213 4.233 1.00 0.00 H new ATOM 0 HA SER A 105 -7.616 -14.984 5.133 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.920 -13.206 4.254 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.060 -14.772 5.028 1.00 0.00 H new ATOM 0 HG SER A 105 -10.270 -13.025 6.539 1.00 0.00 H new ATOM 1583 N THR A 106 -7.152 -15.661 2.689 1.00 0.00 N ATOM 1584 CA THR A 106 -7.112 -16.289 1.382 1.00 0.00 C ATOM 1585 C THR A 106 -7.882 -17.607 1.381 1.00 0.00 C ATOM 1586 O THR A 106 -9.038 -17.624 0.896 1.00 0.00 O ATOM 1587 CB THR A 106 -5.657 -16.515 0.929 1.00 0.00 C ATOM 1588 OG1 THR A 106 -4.792 -16.613 2.075 1.00 0.00 O ATOM 1589 CG2 THR A 106 -5.187 -15.383 0.032 1.00 0.00 C ATOM 1590 OXT THR A 106 -7.345 -18.617 1.887 1.00 0.00 O ATOM 0 H THR A 106 -6.352 -15.876 3.284 1.00 0.00 H new ATOM 0 HA THR A 106 -7.594 -15.615 0.674 1.00 0.00 H new ATOM 0 HB THR A 106 -5.619 -17.446 0.364 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.870 -16.758 1.777 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.157 -15.565 -0.275 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.824 -15.330 -0.851 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.242 -14.440 0.577 1.00 0.00 H new TER 1598 THR A 106