USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 971 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 ASN : amide:sc= 1.49 K(o=2.1,f=-4.2!) USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0.00198 USER MOD Set 1.3: A 93 SER OG : rot 82:sc= 0.563 USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.109 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.248 USER MOD Single : A 18 LYS NZ :NH3+ 155:sc= -2.12! (180deg=-3.15!) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.0358 (180deg=-0.321) USER MOD Single : A 31 CYS SG : rot -179:sc= -0.221 USER MOD Single : A 33 THR OG1 : rot 80:sc= -0.0133 USER MOD Single : A 34 THR OG1 : rot 131:sc= 1.25 USER MOD Single : A 36 CYS SG : rot 38:sc= 0.071 USER MOD Single : A 39 CYS SG : rot -91:sc= -2.2! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -160:sc= -0.0485 (180deg=-0.344) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc=-0.000606 (180deg=-0.118) USER MOD Single : A 50 SER OG : rot -63:sc= 1.26 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.0063 F(o=-0.88,f=-0.0063) USER MOD Single : A 62 ASN : amide:sc= 0.0794 X(o=0.079,f=-0.1) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0673) USER MOD Single : A 65 MET CE :methyl -142:sc= -0.176 (180deg=-0.687) USER MOD Single : A 67 MET CE :methyl 148:sc= -0.337 (180deg=-2.79!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0666) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.037 USER MOD Single : A 98 TYR OH : rot 97:sc= -1.75! USER MOD Single : A 111 LYS NZ :NH3+ 171:sc= 1.05 (180deg=0.846) USER MOD Single : A 112 LYS NZ :NH3+ -142:sc= 0.529 (180deg=-0.452) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0.0106 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.239 0.102 17.039 1.00 0.00 N ATOM 2 CA ALA A 1 5.822 0.564 15.761 1.00 0.00 C ATOM 3 C ALA A 1 7.290 0.937 15.937 1.00 0.00 C ATOM 4 O ALA A 1 7.767 1.105 17.062 1.00 0.00 O ATOM 5 CB ALA A 1 5.039 1.754 15.228 1.00 0.00 C ATOM 0 H1 ALA A 1 4.973 -0.900 16.957 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.939 0.213 17.800 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.395 0.667 17.260 1.00 0.00 H new ATOM 0 HA ALA A 1 5.761 -0.253 15.042 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.477 2.086 14.287 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.002 1.462 15.063 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.076 2.568 15.952 1.00 0.00 H new ATOM 11 N GLN A 2 8.006 1.040 14.823 1.00 0.00 N ATOM 12 CA GLN A 2 9.396 1.483 14.827 1.00 0.00 C ATOM 13 C GLN A 2 9.552 2.678 13.892 1.00 0.00 C ATOM 14 O GLN A 2 8.611 3.042 13.183 1.00 0.00 O ATOM 15 CB GLN A 2 10.327 0.355 14.371 1.00 0.00 C ATOM 16 CG GLN A 2 10.361 -0.845 15.302 1.00 0.00 C ATOM 17 CD GLN A 2 11.191 -1.979 14.734 1.00 0.00 C ATOM 18 OE1 GLN A 2 10.678 -2.849 14.029 1.00 0.00 O ATOM 19 NE2 GLN A 2 12.480 -1.972 15.025 1.00 0.00 N ATOM 0 H GLN A 2 7.642 0.820 13.896 1.00 0.00 H new ATOM 0 HA GLN A 2 9.666 1.768 15.844 1.00 0.00 H new ATOM 0 HB2 GLN A 2 10.017 0.022 13.380 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.337 0.752 14.272 1.00 0.00 H new ATOM 0 HG2 GLN A 2 10.770 -0.544 16.267 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.344 -1.194 15.481 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.866 -1.233 15.613 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.089 -2.705 14.662 1.00 0.00 H new ATOM 28 N ALA A 3 10.729 3.283 13.889 1.00 0.00 N ATOM 29 CA ALA A 3 11.003 4.400 12.997 1.00 0.00 C ATOM 30 C ALA A 3 11.590 3.892 11.689 1.00 0.00 C ATOM 31 O ALA A 3 11.142 4.263 10.603 1.00 0.00 O ATOM 32 CB ALA A 3 11.945 5.395 13.659 1.00 0.00 C ATOM 0 H ALA A 3 11.509 3.021 14.492 1.00 0.00 H new ATOM 0 HA ALA A 3 10.066 4.913 12.781 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.138 6.223 12.977 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.488 5.776 14.572 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.885 4.899 13.903 1.00 0.00 H new ATOM 38 N ASP A 4 12.589 3.028 11.801 1.00 0.00 N ATOM 39 CA ASP A 4 13.223 2.442 10.633 1.00 0.00 C ATOM 40 C ASP A 4 12.423 1.243 10.166 1.00 0.00 C ATOM 41 O ASP A 4 12.473 0.164 10.767 1.00 0.00 O ATOM 42 CB ASP A 4 14.662 2.033 10.936 1.00 0.00 C ATOM 43 CG ASP A 4 15.512 3.202 11.385 1.00 0.00 C ATOM 44 OD1 ASP A 4 15.741 4.126 10.575 1.00 0.00 O ATOM 45 OD2 ASP A 4 15.953 3.211 12.553 1.00 0.00 O ATOM 0 H ASP A 4 12.977 2.718 12.692 1.00 0.00 H new ATOM 0 HA ASP A 4 13.248 3.190 9.841 1.00 0.00 H new ATOM 0 HB2 ASP A 4 14.663 1.267 11.712 1.00 0.00 H new ATOM 0 HB3 ASP A 4 15.105 1.586 10.046 1.00 0.00 H new ATOM 50 N GLY A 5 11.677 1.444 9.098 1.00 0.00 N ATOM 51 CA GLY A 5 10.749 0.442 8.637 1.00 0.00 C ATOM 52 C GLY A 5 9.330 0.947 8.750 1.00 0.00 C ATOM 53 O GLY A 5 8.869 1.258 9.852 1.00 0.00 O ATOM 0 H GLY A 5 11.699 2.295 8.535 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.968 0.183 7.601 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.866 -0.469 9.225 1.00 0.00 H new ATOM 57 N ILE A 6 8.647 1.054 7.617 1.00 0.00 N ATOM 58 CA ILE A 6 7.309 1.632 7.581 1.00 0.00 C ATOM 59 C ILE A 6 6.345 0.851 8.460 1.00 0.00 C ATOM 60 O ILE A 6 6.117 -0.341 8.249 1.00 0.00 O ATOM 61 CB ILE A 6 6.746 1.693 6.148 1.00 0.00 C ATOM 62 CG1 ILE A 6 7.702 2.459 5.234 1.00 0.00 C ATOM 63 CG2 ILE A 6 5.377 2.356 6.153 1.00 0.00 C ATOM 64 CD1 ILE A 6 7.213 2.583 3.810 1.00 0.00 C ATOM 0 H ILE A 6 8.998 0.748 6.710 1.00 0.00 H new ATOM 0 HA ILE A 6 7.404 2.648 7.963 1.00 0.00 H new ATOM 0 HB ILE A 6 6.643 0.676 5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.860 3.457 5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.670 1.958 5.234 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.988 2.394 5.136 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.696 1.781 6.781 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.465 3.369 6.546 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.943 3.138 3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.083 1.589 3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.260 3.111 3.797 1.00 0.00 H new ATOM 76 N ALA A 7 5.794 1.534 9.451 1.00 0.00 N ATOM 77 CA ALA A 7 4.812 0.935 10.331 1.00 0.00 C ATOM 78 C ALA A 7 3.454 0.892 9.651 1.00 0.00 C ATOM 79 O ALA A 7 2.713 1.877 9.650 1.00 0.00 O ATOM 80 CB ALA A 7 4.732 1.703 11.641 1.00 0.00 C ATOM 0 H ALA A 7 6.013 2.507 9.664 1.00 0.00 H new ATOM 0 HA ALA A 7 5.120 -0.087 10.553 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.989 1.239 12.290 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.705 1.686 12.133 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.445 2.735 11.441 1.00 0.00 H new ATOM 86 N PHE A 8 3.153 -0.238 9.032 1.00 0.00 N ATOM 87 CA PHE A 8 1.864 -0.430 8.398 1.00 0.00 C ATOM 88 C PHE A 8 0.775 -0.587 9.446 1.00 0.00 C ATOM 89 O PHE A 8 0.900 -1.380 10.379 1.00 0.00 O ATOM 90 CB PHE A 8 1.890 -1.643 7.465 1.00 0.00 C ATOM 91 CG PHE A 8 2.397 -1.326 6.085 1.00 0.00 C ATOM 92 CD1 PHE A 8 3.733 -1.034 5.869 1.00 0.00 C ATOM 93 CD2 PHE A 8 1.532 -1.316 5.004 1.00 0.00 C ATOM 94 CE1 PHE A 8 4.197 -0.736 4.602 1.00 0.00 C ATOM 95 CE2 PHE A 8 1.988 -1.020 3.734 1.00 0.00 C ATOM 96 CZ PHE A 8 3.324 -0.731 3.533 1.00 0.00 C ATOM 0 H PHE A 8 3.785 -1.035 8.956 1.00 0.00 H new ATOM 0 HA PHE A 8 1.644 0.454 7.799 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.518 -2.417 7.906 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.884 -2.054 7.388 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.421 -1.039 6.701 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.487 -1.543 5.156 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.241 -0.507 4.448 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.302 -1.015 2.900 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.685 -0.502 2.541 1.00 0.00 H new ATOM 106 N ARG A 9 -0.283 0.180 9.280 1.00 0.00 N ATOM 107 CA ARG A 9 -1.382 0.207 10.225 1.00 0.00 C ATOM 108 C ARG A 9 -2.272 -1.013 10.021 1.00 0.00 C ATOM 109 O ARG A 9 -2.557 -1.402 8.884 1.00 0.00 O ATOM 110 CB ARG A 9 -2.207 1.490 10.028 1.00 0.00 C ATOM 111 CG ARG A 9 -1.363 2.753 9.897 1.00 0.00 C ATOM 112 CD ARG A 9 -0.875 3.267 11.242 1.00 0.00 C ATOM 113 NE ARG A 9 -1.938 3.940 11.989 1.00 0.00 N ATOM 114 CZ ARG A 9 -2.022 5.266 12.138 1.00 0.00 C ATOM 115 NH1 ARG A 9 -1.098 6.062 11.609 1.00 0.00 N ATOM 116 NH2 ARG A 9 -3.027 5.791 12.830 1.00 0.00 N ATOM 0 H ARG A 9 -0.406 0.805 8.483 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.980 0.190 11.238 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.822 1.381 9.135 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.888 1.606 10.871 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.505 2.548 9.256 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.950 3.529 9.406 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.489 2.434 11.830 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.047 3.958 11.087 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.659 3.363 12.422 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.319 5.662 11.086 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.168 7.073 11.726 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.732 5.183 13.246 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.093 6.802 12.945 1.00 0.00 H new ATOM 130 N GLU A 10 -2.679 -1.631 11.115 1.00 0.00 N ATOM 131 CA GLU A 10 -3.649 -2.711 11.058 1.00 0.00 C ATOM 132 C GLU A 10 -5.016 -2.177 11.467 1.00 0.00 C ATOM 133 O GLU A 10 -5.319 -2.047 12.656 1.00 0.00 O ATOM 134 CB GLU A 10 -3.216 -3.872 11.958 1.00 0.00 C ATOM 135 CG GLU A 10 -4.155 -5.068 11.916 1.00 0.00 C ATOM 136 CD GLU A 10 -3.582 -6.285 12.611 1.00 0.00 C ATOM 137 OE1 GLU A 10 -3.544 -6.302 13.858 1.00 0.00 O ATOM 138 OE2 GLU A 10 -3.146 -7.224 11.909 1.00 0.00 O ATOM 0 H GLU A 10 -2.353 -1.404 12.054 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.710 -3.093 10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.218 -4.195 11.662 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.144 -3.515 12.985 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.101 -4.799 12.385 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.374 -5.317 10.878 1.00 0.00 H new ATOM 145 N LEU A 11 -5.818 -1.822 10.474 1.00 0.00 N ATOM 146 CA LEU A 11 -7.109 -1.209 10.700 1.00 0.00 C ATOM 147 C LEU A 11 -8.167 -1.831 9.797 1.00 0.00 C ATOM 148 O LEU A 11 -7.846 -2.556 8.855 1.00 0.00 O ATOM 149 CB LEU A 11 -7.019 0.286 10.413 1.00 0.00 C ATOM 150 CG LEU A 11 -6.278 1.119 11.461 1.00 0.00 C ATOM 151 CD1 LEU A 11 -6.104 2.551 10.979 1.00 0.00 C ATOM 152 CD2 LEU A 11 -7.030 1.101 12.782 1.00 0.00 C ATOM 0 H LEU A 11 -5.587 -1.953 9.489 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.394 -1.374 11.739 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.526 0.424 9.451 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.030 0.679 10.312 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.292 0.680 11.612 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.575 3.128 11.737 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.529 2.556 10.053 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.083 2.996 10.801 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.490 1.698 13.516 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.027 1.517 12.639 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.113 0.075 13.139 1.00 0.00 H new ATOM 164 N SER A 12 -9.424 -1.539 10.088 1.00 0.00 N ATOM 165 CA SER A 12 -10.524 -1.973 9.243 1.00 0.00 C ATOM 166 C SER A 12 -10.630 -1.046 8.031 1.00 0.00 C ATOM 167 O SER A 12 -10.076 0.056 8.040 1.00 0.00 O ATOM 168 CB SER A 12 -11.827 -1.968 10.050 1.00 0.00 C ATOM 169 OG SER A 12 -12.915 -2.499 9.308 1.00 0.00 O ATOM 0 H SER A 12 -9.709 -1.001 10.906 1.00 0.00 H new ATOM 0 HA SER A 12 -10.342 -2.988 8.890 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.691 -2.551 10.961 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.060 -0.948 10.356 1.00 0.00 H new ATOM 0 HG SER A 12 -13.726 -2.480 9.858 1.00 0.00 H new ATOM 175 N PHE A 13 -11.348 -1.493 7.005 1.00 0.00 N ATOM 176 CA PHE A 13 -11.478 -0.748 5.747 1.00 0.00 C ATOM 177 C PHE A 13 -11.987 0.690 5.983 1.00 0.00 C ATOM 178 O PHE A 13 -11.283 1.654 5.651 1.00 0.00 O ATOM 179 CB PHE A 13 -12.399 -1.513 4.780 1.00 0.00 C ATOM 180 CG PHE A 13 -12.461 -0.946 3.387 1.00 0.00 C ATOM 181 CD1 PHE A 13 -13.383 0.039 3.061 1.00 0.00 C ATOM 182 CD2 PHE A 13 -11.607 -1.409 2.400 1.00 0.00 C ATOM 183 CE1 PHE A 13 -13.446 0.553 1.780 1.00 0.00 C ATOM 184 CE2 PHE A 13 -11.667 -0.901 1.116 1.00 0.00 C ATOM 185 CZ PHE A 13 -12.587 0.082 0.806 1.00 0.00 C ATOM 0 H PHE A 13 -11.856 -2.377 7.017 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.489 -0.662 5.297 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -12.062 -2.548 4.721 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -13.406 -1.529 5.196 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -14.059 0.408 3.818 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.885 -2.177 2.637 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -14.166 1.322 1.541 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -10.995 -1.272 0.356 1.00 0.00 H new ATOM 0 HZ PHE A 13 -12.635 0.482 -0.196 1.00 0.00 H new ATOM 195 N PRO A 14 -13.197 0.876 6.571 1.00 0.00 N ATOM 196 CA PRO A 14 -13.741 2.220 6.819 1.00 0.00 C ATOM 197 C PRO A 14 -12.908 3.000 7.831 1.00 0.00 C ATOM 198 O PRO A 14 -12.729 4.212 7.700 1.00 0.00 O ATOM 199 CB PRO A 14 -15.141 1.955 7.378 1.00 0.00 C ATOM 200 CG PRO A 14 -15.089 0.566 7.912 1.00 0.00 C ATOM 201 CD PRO A 14 -14.122 -0.179 7.039 1.00 0.00 C ATOM 0 HA PRO A 14 -13.742 2.826 5.913 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.394 2.669 8.161 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -15.900 2.051 6.602 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.760 0.560 8.951 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -16.075 0.101 7.887 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.597 -0.956 7.594 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.627 -0.668 6.206 1.00 0.00 H new ATOM 209 N GLU A 15 -12.395 2.288 8.830 1.00 0.00 N ATOM 210 CA GLU A 15 -11.579 2.888 9.872 1.00 0.00 C ATOM 211 C GLU A 15 -10.356 3.567 9.284 1.00 0.00 C ATOM 212 O GLU A 15 -10.127 4.755 9.506 1.00 0.00 O ATOM 213 CB GLU A 15 -11.123 1.812 10.855 1.00 0.00 C ATOM 214 CG GLU A 15 -12.254 1.155 11.626 1.00 0.00 C ATOM 215 CD GLU A 15 -12.992 2.125 12.522 1.00 0.00 C ATOM 216 OE1 GLU A 15 -12.451 2.477 13.588 1.00 0.00 O ATOM 217 OE2 GLU A 15 -14.118 2.527 12.174 1.00 0.00 O ATOM 0 H GLU A 15 -12.534 1.283 8.937 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.184 3.635 10.386 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.577 1.044 10.308 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.424 2.256 11.564 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.957 0.710 10.922 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.852 0.342 12.231 1.00 0.00 H new ATOM 224 N ALA A 16 -9.588 2.807 8.510 1.00 0.00 N ATOM 225 CA ALA A 16 -8.328 3.287 7.967 1.00 0.00 C ATOM 226 C ALA A 16 -8.537 4.492 7.060 1.00 0.00 C ATOM 227 O ALA A 16 -7.744 5.431 7.078 1.00 0.00 O ATOM 228 CB ALA A 16 -7.616 2.173 7.216 1.00 0.00 C ATOM 0 H ALA A 16 -9.821 1.850 8.245 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.703 3.604 8.802 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.674 2.548 6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.417 1.345 7.896 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.246 1.826 6.397 1.00 0.00 H new ATOM 234 N LEU A 17 -9.607 4.457 6.273 1.00 0.00 N ATOM 235 CA LEU A 17 -9.938 5.562 5.379 1.00 0.00 C ATOM 236 C LEU A 17 -10.115 6.850 6.171 1.00 0.00 C ATOM 237 O LEU A 17 -9.477 7.868 5.890 1.00 0.00 O ATOM 238 CB LEU A 17 -11.225 5.247 4.617 1.00 0.00 C ATOM 239 CG LEU A 17 -11.614 6.264 3.541 1.00 0.00 C ATOM 240 CD1 LEU A 17 -10.502 6.410 2.513 1.00 0.00 C ATOM 241 CD2 LEU A 17 -12.913 5.853 2.865 1.00 0.00 C ATOM 0 H LEU A 17 -10.261 3.675 6.236 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.120 5.693 4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.120 4.269 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.043 5.170 5.334 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.765 7.230 4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.798 7.137 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.592 6.751 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.318 5.447 2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.175 6.587 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.787 4.876 2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -13.709 5.801 3.608 1.00 0.00 H new ATOM 253 N LYS A 18 -10.974 6.781 7.173 1.00 0.00 N ATOM 254 CA LYS A 18 -11.277 7.911 8.022 1.00 0.00 C ATOM 255 C LYS A 18 -10.038 8.392 8.781 1.00 0.00 C ATOM 256 O LYS A 18 -9.814 9.599 8.931 1.00 0.00 O ATOM 257 CB LYS A 18 -12.379 7.491 8.980 1.00 0.00 C ATOM 258 CG LYS A 18 -12.817 8.566 9.938 1.00 0.00 C ATOM 259 CD LYS A 18 -14.113 8.174 10.622 1.00 0.00 C ATOM 260 CE LYS A 18 -15.340 8.497 9.769 1.00 0.00 C ATOM 261 NZ LYS A 18 -15.410 7.693 8.515 1.00 0.00 N ATOM 0 H LYS A 18 -11.482 5.932 7.419 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.609 8.752 7.413 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.242 7.165 8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.036 6.629 9.553 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.041 8.733 10.685 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.952 9.506 9.402 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.097 7.106 10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.189 8.695 11.576 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.240 8.320 10.357 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.329 9.557 9.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.399 7.622 8.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.845 8.155 7.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.034 6.740 8.692 1.00 0.00 H new ATOM 275 N ARG A 19 -9.231 7.445 9.249 1.00 0.00 N ATOM 276 CA ARG A 19 -7.987 7.767 9.936 1.00 0.00 C ATOM 277 C ARG A 19 -7.069 8.586 9.035 1.00 0.00 C ATOM 278 O ARG A 19 -6.448 9.548 9.483 1.00 0.00 O ATOM 279 CB ARG A 19 -7.270 6.492 10.379 1.00 0.00 C ATOM 280 CG ARG A 19 -8.027 5.683 11.417 1.00 0.00 C ATOM 281 CD ARG A 19 -8.226 6.461 12.707 1.00 0.00 C ATOM 282 NE ARG A 19 -8.934 5.672 13.710 1.00 0.00 N ATOM 283 CZ ARG A 19 -8.839 5.864 15.023 1.00 0.00 C ATOM 284 NH1 ARG A 19 -8.040 6.806 15.508 1.00 0.00 N ATOM 285 NH2 ARG A 19 -9.536 5.096 15.845 1.00 0.00 N ATOM 0 H ARG A 19 -9.418 6.446 9.164 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.235 8.358 10.817 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.092 5.866 9.505 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.294 6.759 10.784 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.998 5.393 11.014 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.482 4.763 11.628 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.257 6.765 13.101 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.786 7.373 12.499 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.543 4.922 13.382 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.494 7.388 14.873 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.972 6.948 16.516 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.140 4.364 15.470 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.469 5.236 16.853 1.00 0.00 H new ATOM 299 N ALA A 20 -7.004 8.204 7.764 1.00 0.00 N ATOM 300 CA ALA A 20 -6.171 8.903 6.791 1.00 0.00 C ATOM 301 C ALA A 20 -6.625 10.343 6.611 1.00 0.00 C ATOM 302 O ALA A 20 -5.804 11.258 6.596 1.00 0.00 O ATOM 303 CB ALA A 20 -6.187 8.173 5.454 1.00 0.00 C ATOM 0 H ALA A 20 -7.520 7.411 7.382 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.150 8.916 7.173 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.561 8.708 4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.803 7.162 5.587 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.209 8.127 5.077 1.00 0.00 H new ATOM 309 N GLU A 21 -7.935 10.536 6.497 1.00 0.00 N ATOM 310 CA GLU A 21 -8.507 11.863 6.299 1.00 0.00 C ATOM 311 C GLU A 21 -8.083 12.820 7.405 1.00 0.00 C ATOM 312 O GLU A 21 -7.771 13.983 7.150 1.00 0.00 O ATOM 313 CB GLU A 21 -10.033 11.792 6.265 1.00 0.00 C ATOM 314 CG GLU A 21 -10.589 10.910 5.164 1.00 0.00 C ATOM 315 CD GLU A 21 -12.099 10.952 5.107 1.00 0.00 C ATOM 316 OE1 GLU A 21 -12.644 11.834 4.410 1.00 0.00 O ATOM 317 OE2 GLU A 21 -12.752 10.114 5.759 1.00 0.00 O ATOM 0 H GLU A 21 -8.624 9.785 6.539 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.134 12.235 5.345 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.390 11.423 7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.430 12.800 6.143 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.182 11.229 4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.261 9.883 5.323 1.00 0.00 H new ATOM 324 N VAL A 22 -8.070 12.320 8.632 1.00 0.00 N ATOM 325 CA VAL A 22 -7.807 13.160 9.793 1.00 0.00 C ATOM 326 C VAL A 22 -6.319 13.235 10.146 1.00 0.00 C ATOM 327 O VAL A 22 -5.763 14.325 10.297 1.00 0.00 O ATOM 328 CB VAL A 22 -8.590 12.652 11.024 1.00 0.00 C ATOM 329 CG1 VAL A 22 -8.303 13.508 12.252 1.00 0.00 C ATOM 330 CG2 VAL A 22 -10.083 12.618 10.726 1.00 0.00 C ATOM 0 H VAL A 22 -8.238 11.338 8.850 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.140 14.162 9.523 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.257 11.637 11.242 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.868 13.126 13.102 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.238 13.473 12.479 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.598 14.539 12.054 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.621 12.258 11.603 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.427 13.622 10.476 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.271 11.950 9.885 1.00 0.00 H new ATOM 340 N GLU A 23 -5.671 12.084 10.257 1.00 0.00 N ATOM 341 CA GLU A 23 -4.337 12.019 10.843 1.00 0.00 C ATOM 342 C GLU A 23 -3.252 12.345 9.828 1.00 0.00 C ATOM 343 O GLU A 23 -2.283 13.035 10.153 1.00 0.00 O ATOM 344 CB GLU A 23 -4.097 10.624 11.423 1.00 0.00 C ATOM 345 CG GLU A 23 -2.811 10.498 12.224 1.00 0.00 C ATOM 346 CD GLU A 23 -2.585 9.090 12.740 1.00 0.00 C ATOM 347 OE1 GLU A 23 -3.578 8.397 13.038 1.00 0.00 O ATOM 348 OE2 GLU A 23 -1.414 8.672 12.864 1.00 0.00 O ATOM 0 H GLU A 23 -6.044 11.185 9.951 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.286 12.767 11.634 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.939 10.359 12.063 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.077 9.902 10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.967 10.793 11.600 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.842 11.190 13.066 1.00 0.00 H new ATOM 355 N ASP A 24 -3.424 11.892 8.598 1.00 0.00 N ATOM 356 CA ASP A 24 -2.376 12.043 7.598 1.00 0.00 C ATOM 357 C ASP A 24 -2.955 12.398 6.243 1.00 0.00 C ATOM 358 O ASP A 24 -3.730 13.346 6.115 1.00 0.00 O ATOM 359 CB ASP A 24 -1.520 10.772 7.496 1.00 0.00 C ATOM 360 CG ASP A 24 -0.709 10.498 8.747 1.00 0.00 C ATOM 361 OD1 ASP A 24 0.129 11.349 9.111 1.00 0.00 O ATOM 362 OD2 ASP A 24 -0.901 9.433 9.367 1.00 0.00 O ATOM 0 H ASP A 24 -4.267 11.422 8.269 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.735 12.864 7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.169 9.919 7.297 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.845 10.864 6.645 1.00 0.00 H new ATOM 367 N LYS A 25 -2.578 11.630 5.242 1.00 0.00 N ATOM 368 CA LYS A 25 -2.955 11.905 3.866 1.00 0.00 C ATOM 369 C LYS A 25 -2.900 10.632 3.034 1.00 0.00 C ATOM 370 O LYS A 25 -1.885 9.939 3.038 1.00 0.00 O ATOM 371 CB LYS A 25 -2.002 12.936 3.261 1.00 0.00 C ATOM 372 CG LYS A 25 -2.376 13.353 1.852 1.00 0.00 C ATOM 373 CD LYS A 25 -1.201 13.989 1.134 1.00 0.00 C ATOM 374 CE LYS A 25 -1.629 14.596 -0.191 1.00 0.00 C ATOM 375 NZ LYS A 25 -2.533 15.759 0.006 1.00 0.00 N ATOM 0 H LYS A 25 -2.001 10.797 5.357 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.973 12.294 3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.982 13.819 3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.992 12.525 3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.719 12.483 1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.207 14.057 1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.761 14.761 1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.429 13.240 0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.747 14.910 -0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.134 13.840 -0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.575 16.318 -0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.486 15.421 0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.171 16.353 0.779 1.00 0.00 H new ATOM 389 N LEU A 26 -3.995 10.337 2.331 1.00 0.00 N ATOM 390 CA LEU A 26 -4.063 9.215 1.392 1.00 0.00 C ATOM 391 C LEU A 26 -3.970 7.865 2.098 1.00 0.00 C ATOM 392 O LEU A 26 -3.244 7.693 3.078 1.00 0.00 O ATOM 393 CB LEU A 26 -2.968 9.328 0.322 1.00 0.00 C ATOM 394 CG LEU A 26 -3.071 10.552 -0.592 1.00 0.00 C ATOM 395 CD1 LEU A 26 -1.882 10.612 -1.537 1.00 0.00 C ATOM 396 CD2 LEU A 26 -4.372 10.522 -1.381 1.00 0.00 C ATOM 0 H LEU A 26 -4.862 10.871 2.397 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.038 9.268 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.998 9.347 0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.993 8.430 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.065 11.446 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.972 11.488 -2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.961 10.679 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.860 9.712 -2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.427 11.400 -2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.406 9.620 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.216 10.524 -0.691 1.00 0.00 H new ATOM 408 N LEU A 27 -4.722 6.903 1.600 1.00 0.00 N ATOM 409 CA LEU A 27 -4.678 5.562 2.140 1.00 0.00 C ATOM 410 C LEU A 27 -3.896 4.655 1.196 1.00 0.00 C ATOM 411 O LEU A 27 -4.354 4.333 0.096 1.00 0.00 O ATOM 412 CB LEU A 27 -6.090 5.020 2.368 1.00 0.00 C ATOM 413 CG LEU A 27 -6.157 3.674 3.094 1.00 0.00 C ATOM 414 CD1 LEU A 27 -5.502 3.764 4.465 1.00 0.00 C ATOM 415 CD2 LEU A 27 -7.598 3.221 3.230 1.00 0.00 C ATOM 0 H LEU A 27 -5.370 7.027 0.822 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.173 5.587 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.656 5.754 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.585 4.920 1.402 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.611 2.940 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.562 2.795 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.456 4.049 4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.018 4.512 5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.631 2.263 3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.160 3.961 3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.041 3.113 2.240 1.00 0.00 H new ATOM 427 N PHE A 28 -2.702 4.279 1.617 1.00 0.00 N ATOM 428 CA PHE A 28 -1.853 3.392 0.840 1.00 0.00 C ATOM 429 C PHE A 28 -2.141 1.953 1.238 1.00 0.00 C ATOM 430 O PHE A 28 -1.700 1.490 2.286 1.00 0.00 O ATOM 431 CB PHE A 28 -0.374 3.738 1.080 1.00 0.00 C ATOM 432 CG PHE A 28 0.598 2.848 0.351 1.00 0.00 C ATOM 433 CD1 PHE A 28 1.071 1.687 0.942 1.00 0.00 C ATOM 434 CD2 PHE A 28 1.037 3.176 -0.922 1.00 0.00 C ATOM 435 CE1 PHE A 28 1.963 0.869 0.278 1.00 0.00 C ATOM 436 CE2 PHE A 28 1.930 2.360 -1.591 1.00 0.00 C ATOM 437 CZ PHE A 28 2.392 1.206 -0.990 1.00 0.00 C ATOM 0 H PHE A 28 -2.294 4.578 2.503 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.063 3.516 -0.222 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.201 4.770 0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.169 3.681 2.149 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.738 1.419 1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.678 4.078 -1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.324 -0.033 0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.266 2.625 -2.583 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.089 0.567 -1.512 1.00 0.00 H new ATOM 447 N VAL A 29 -2.906 1.257 0.418 1.00 0.00 N ATOM 448 CA VAL A 29 -3.298 -0.103 0.733 1.00 0.00 C ATOM 449 C VAL A 29 -2.365 -1.102 0.067 1.00 0.00 C ATOM 450 O VAL A 29 -2.273 -1.154 -1.162 1.00 0.00 O ATOM 451 CB VAL A 29 -4.746 -0.392 0.291 1.00 0.00 C ATOM 452 CG1 VAL A 29 -5.162 -1.798 0.693 1.00 0.00 C ATOM 453 CG2 VAL A 29 -5.700 0.639 0.871 1.00 0.00 C ATOM 0 H VAL A 29 -3.267 1.610 -0.468 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.234 -0.210 1.816 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.790 -0.323 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.187 -1.980 0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.499 -2.523 0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.098 -1.901 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.717 0.417 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.651 0.608 1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.417 1.633 0.523 1.00 0.00 H new ATOM 463 N ASP A 30 -1.660 -1.872 0.878 1.00 0.00 N ATOM 464 CA ASP A 30 -0.809 -2.932 0.364 1.00 0.00 C ATOM 465 C ASP A 30 -1.509 -4.275 0.514 1.00 0.00 C ATOM 466 O ASP A 30 -1.677 -4.787 1.630 1.00 0.00 O ATOM 467 CB ASP A 30 0.541 -2.960 1.086 1.00 0.00 C ATOM 468 CG ASP A 30 1.452 -4.069 0.580 1.00 0.00 C ATOM 469 OD1 ASP A 30 2.006 -3.936 -0.533 1.00 0.00 O ATOM 470 OD2 ASP A 30 1.636 -5.072 1.299 1.00 0.00 O ATOM 0 H ASP A 30 -1.660 -1.783 1.894 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.622 -2.736 -0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.038 -1.999 0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.374 -3.091 2.155 1.00 0.00 H new ATOM 475 N CYS A 31 -1.961 -4.813 -0.605 1.00 0.00 N ATOM 476 CA CYS A 31 -2.576 -6.125 -0.623 1.00 0.00 C ATOM 477 C CYS A 31 -1.531 -7.165 -0.976 1.00 0.00 C ATOM 478 O CYS A 31 -0.980 -7.158 -2.077 1.00 0.00 O ATOM 479 CB CYS A 31 -3.729 -6.174 -1.628 1.00 0.00 C ATOM 480 SG CYS A 31 -5.062 -5.007 -1.284 1.00 0.00 S ATOM 0 H CYS A 31 -1.912 -4.358 -1.516 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.982 -6.336 0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.336 -5.975 -2.625 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.140 -7.183 -1.643 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.996 -5.139 -2.178 1.00 0.00 H new ATOM 486 N PHE A 32 -1.235 -8.030 -0.032 1.00 0.00 N ATOM 487 CA PHE A 32 -0.250 -9.068 -0.243 1.00 0.00 C ATOM 488 C PHE A 32 -0.888 -10.434 -0.087 1.00 0.00 C ATOM 489 O PHE A 32 -1.900 -10.580 0.599 1.00 0.00 O ATOM 490 CB PHE A 32 0.919 -8.905 0.740 1.00 0.00 C ATOM 491 CG PHE A 32 0.509 -8.868 2.190 1.00 0.00 C ATOM 492 CD1 PHE A 32 0.127 -7.676 2.786 1.00 0.00 C ATOM 493 CD2 PHE A 32 0.505 -10.023 2.955 1.00 0.00 C ATOM 494 CE1 PHE A 32 -0.252 -7.636 4.114 1.00 0.00 C ATOM 495 CE2 PHE A 32 0.125 -9.989 4.285 1.00 0.00 C ATOM 496 CZ PHE A 32 -0.253 -8.795 4.865 1.00 0.00 C ATOM 0 H PHE A 32 -1.664 -8.035 0.893 1.00 0.00 H new ATOM 0 HA PHE A 32 0.139 -8.980 -1.257 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.619 -9.727 0.593 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.453 -7.985 0.502 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.126 -6.766 2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.802 -10.960 2.508 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.547 -6.700 4.564 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.124 -10.897 4.870 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.549 -8.767 5.903 1.00 0.00 H new ATOM 506 N THR A 33 -0.301 -11.429 -0.724 1.00 0.00 N ATOM 507 CA THR A 33 -0.748 -12.796 -0.556 1.00 0.00 C ATOM 508 C THR A 33 0.143 -13.501 0.453 1.00 0.00 C ATOM 509 O THR A 33 1.161 -12.951 0.875 1.00 0.00 O ATOM 510 CB THR A 33 -0.707 -13.570 -1.886 1.00 0.00 C ATOM 511 OG1 THR A 33 0.615 -13.511 -2.440 1.00 0.00 O ATOM 512 CG2 THR A 33 -1.708 -13.004 -2.881 1.00 0.00 C ATOM 0 H THR A 33 0.486 -11.315 -1.362 1.00 0.00 H new ATOM 0 HA THR A 33 -1.779 -12.771 -0.203 1.00 0.00 H new ATOM 0 HB THR A 33 -0.975 -14.607 -1.686 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.187 -14.168 -1.991 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.657 -13.570 -3.811 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.714 -13.077 -2.467 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.472 -11.958 -3.079 1.00 0.00 H new ATOM 520 N THR A 34 -0.232 -14.708 0.843 1.00 0.00 N ATOM 521 CA THR A 34 0.549 -15.458 1.810 1.00 0.00 C ATOM 522 C THR A 34 1.865 -15.927 1.183 1.00 0.00 C ATOM 523 O THR A 34 2.850 -16.165 1.882 1.00 0.00 O ATOM 524 CB THR A 34 -0.254 -16.658 2.353 1.00 0.00 C ATOM 525 OG1 THR A 34 -1.503 -16.191 2.885 1.00 0.00 O ATOM 526 CG2 THR A 34 0.514 -17.396 3.444 1.00 0.00 C ATOM 0 H THR A 34 -1.068 -15.187 0.507 1.00 0.00 H new ATOM 0 HA THR A 34 0.780 -14.801 2.648 1.00 0.00 H new ATOM 0 HB THR A 34 -0.427 -17.352 1.530 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.235 -16.733 2.524 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.081 -18.235 3.804 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.456 -17.766 3.039 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.717 -16.715 4.270 1.00 0.00 H new ATOM 534 N TRP A 35 1.880 -16.026 -0.144 1.00 0.00 N ATOM 535 CA TRP A 35 3.094 -16.369 -0.872 1.00 0.00 C ATOM 536 C TRP A 35 4.098 -15.224 -0.790 1.00 0.00 C ATOM 537 O TRP A 35 3.797 -14.094 -1.185 1.00 0.00 O ATOM 538 CB TRP A 35 2.779 -16.665 -2.339 1.00 0.00 C ATOM 539 CG TRP A 35 1.782 -17.762 -2.529 1.00 0.00 C ATOM 540 CD1 TRP A 35 1.936 -19.073 -2.195 1.00 0.00 C ATOM 541 CD2 TRP A 35 0.482 -17.648 -3.117 1.00 0.00 C ATOM 542 NE1 TRP A 35 0.812 -19.782 -2.535 1.00 0.00 N ATOM 543 CE2 TRP A 35 -0.095 -18.927 -3.101 1.00 0.00 C ATOM 544 CE3 TRP A 35 -0.246 -16.585 -3.650 1.00 0.00 C ATOM 545 CZ2 TRP A 35 -1.371 -19.175 -3.602 1.00 0.00 C ATOM 546 CZ3 TRP A 35 -1.512 -16.830 -4.148 1.00 0.00 C ATOM 547 CH2 TRP A 35 -2.063 -18.114 -4.119 1.00 0.00 C ATOM 0 H TRP A 35 1.063 -15.873 -0.736 1.00 0.00 H new ATOM 0 HA TRP A 35 3.523 -17.261 -0.416 1.00 0.00 H new ATOM 0 HB2 TRP A 35 2.402 -15.758 -2.811 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.702 -16.932 -2.853 1.00 0.00 H new ATOM 0 HD1 TRP A 35 2.815 -19.494 -1.730 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.675 -20.782 -2.390 1.00 0.00 H new ATOM 0 HE3 TRP A 35 0.171 -15.589 -3.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.798 -20.167 -3.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.085 -16.016 -4.566 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -3.056 -18.272 -4.513 1.00 0.00 H new ATOM 558 N CYS A 36 5.285 -15.511 -0.277 1.00 0.00 N ATOM 559 CA CYS A 36 6.306 -14.493 -0.120 1.00 0.00 C ATOM 560 C CYS A 36 7.317 -14.549 -1.260 1.00 0.00 C ATOM 561 O CYS A 36 7.940 -15.584 -1.511 1.00 0.00 O ATOM 562 CB CYS A 36 7.005 -14.643 1.234 1.00 0.00 C ATOM 563 SG CYS A 36 7.642 -16.299 1.564 1.00 0.00 S ATOM 0 H CYS A 36 5.562 -16.441 0.037 1.00 0.00 H new ATOM 0 HA CYS A 36 5.821 -13.517 -0.153 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.830 -13.933 1.284 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.304 -14.373 2.023 1.00 0.00 H new ATOM 0 HG CYS A 36 8.117 -16.808 0.466 1.00 0.00 H new ATOM 569 N GLY A 37 7.444 -13.440 -1.965 1.00 0.00 N ATOM 570 CA GLY A 37 8.405 -13.331 -3.041 1.00 0.00 C ATOM 571 C GLY A 37 8.599 -11.891 -3.469 1.00 0.00 C ATOM 572 O GLY A 37 9.489 -11.205 -2.961 1.00 0.00 O ATOM 0 H GLY A 37 6.889 -12.599 -1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.360 -13.748 -2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.068 -13.922 -3.892 1.00 0.00 H new ATOM 576 N PRO A 38 7.765 -11.405 -4.398 1.00 0.00 N ATOM 577 CA PRO A 38 7.803 -10.011 -4.863 1.00 0.00 C ATOM 578 C PRO A 38 7.683 -9.002 -3.723 1.00 0.00 C ATOM 579 O PRO A 38 8.376 -7.983 -3.712 1.00 0.00 O ATOM 580 CB PRO A 38 6.589 -9.906 -5.790 1.00 0.00 C ATOM 581 CG PRO A 38 6.310 -11.301 -6.224 1.00 0.00 C ATOM 582 CD PRO A 38 6.733 -12.192 -5.089 1.00 0.00 C ATOM 0 HA PRO A 38 8.752 -9.779 -5.347 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.733 -9.476 -5.271 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.800 -9.262 -6.644 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.252 -11.434 -6.448 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.861 -11.542 -7.133 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.897 -12.425 -4.429 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.128 -13.142 -5.450 1.00 0.00 H new ATOM 590 N CYS A 39 6.810 -9.286 -2.760 1.00 0.00 N ATOM 591 CA CYS A 39 6.598 -8.385 -1.632 1.00 0.00 C ATOM 592 C CYS A 39 7.810 -8.380 -0.703 1.00 0.00 C ATOM 593 O CYS A 39 8.022 -7.426 0.045 1.00 0.00 O ATOM 594 CB CYS A 39 5.348 -8.788 -0.852 1.00 0.00 C ATOM 595 SG CYS A 39 3.858 -8.920 -1.862 1.00 0.00 S ATOM 0 H CYS A 39 6.239 -10.131 -2.738 1.00 0.00 H new ATOM 0 HA CYS A 39 6.460 -7.379 -2.028 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.530 -9.746 -0.365 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.175 -8.057 -0.062 1.00 0.00 H new ATOM 0 HG CYS A 39 3.239 -7.777 -1.874 1.00 0.00 H new ATOM 601 N LYS A 40 8.613 -9.439 -0.763 1.00 0.00 N ATOM 602 CA LYS A 40 9.796 -9.549 0.083 1.00 0.00 C ATOM 603 C LYS A 40 10.856 -8.548 -0.371 1.00 0.00 C ATOM 604 O LYS A 40 11.657 -8.061 0.428 1.00 0.00 O ATOM 605 CB LYS A 40 10.357 -10.974 0.043 1.00 0.00 C ATOM 606 CG LYS A 40 11.372 -11.258 1.135 1.00 0.00 C ATOM 607 CD LYS A 40 10.729 -11.187 2.511 1.00 0.00 C ATOM 608 CE LYS A 40 11.740 -11.431 3.618 1.00 0.00 C ATOM 609 NZ LYS A 40 11.101 -11.418 4.962 1.00 0.00 N ATOM 0 H LYS A 40 8.466 -10.232 -1.388 1.00 0.00 H new ATOM 0 HA LYS A 40 9.512 -9.322 1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.533 -11.682 0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.822 -11.145 -0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.807 -12.246 0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.188 -10.538 1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.269 -10.208 2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.931 -11.926 2.578 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.230 -12.391 3.458 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.516 -10.666 3.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.823 -11.588 5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.655 -10.493 5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.378 -12.164 5.010 1.00 0.00 H new ATOM 623 N ARG A 41 10.840 -8.238 -1.664 1.00 0.00 N ATOM 624 CA ARG A 41 11.706 -7.208 -2.223 1.00 0.00 C ATOM 625 C ARG A 41 11.416 -5.867 -1.561 1.00 0.00 C ATOM 626 O ARG A 41 12.326 -5.094 -1.263 1.00 0.00 O ATOM 627 CB ARG A 41 11.487 -7.099 -3.733 1.00 0.00 C ATOM 628 CG ARG A 41 12.044 -8.263 -4.521 1.00 0.00 C ATOM 629 CD ARG A 41 13.561 -8.264 -4.488 1.00 0.00 C ATOM 630 NE ARG A 41 14.127 -7.001 -4.973 1.00 0.00 N ATOM 631 CZ ARG A 41 15.427 -6.699 -4.932 1.00 0.00 C ATOM 632 NH1 ARG A 41 16.297 -7.571 -4.428 1.00 0.00 N ATOM 633 NH2 ARG A 41 15.854 -5.527 -5.385 1.00 0.00 N ATOM 0 H ARG A 41 10.232 -8.690 -2.347 1.00 0.00 H new ATOM 0 HA ARG A 41 12.744 -7.482 -2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.418 -7.019 -3.930 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.947 -6.178 -4.091 1.00 0.00 H new ATOM 0 HG2 ARG A 41 11.667 -9.199 -4.110 1.00 0.00 H new ATOM 0 HG3 ARG A 41 11.699 -8.207 -5.553 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.900 -8.444 -3.468 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.935 -9.086 -5.098 1.00 0.00 H new ATOM 0 HE ARG A 41 13.488 -6.310 -5.366 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.971 -8.470 -4.073 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.290 -7.340 -4.397 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.189 -4.854 -5.766 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.848 -5.299 -5.352 1.00 0.00 H new ATOM 647 N LEU A 42 10.137 -5.616 -1.317 1.00 0.00 N ATOM 648 CA LEU A 42 9.703 -4.383 -0.683 1.00 0.00 C ATOM 649 C LEU A 42 10.181 -4.348 0.766 1.00 0.00 C ATOM 650 O LEU A 42 10.631 -3.314 1.261 1.00 0.00 O ATOM 651 CB LEU A 42 8.176 -4.280 -0.740 1.00 0.00 C ATOM 652 CG LEU A 42 7.609 -2.867 -0.621 1.00 0.00 C ATOM 653 CD1 LEU A 42 7.940 -2.064 -1.865 1.00 0.00 C ATOM 654 CD2 LEU A 42 6.107 -2.912 -0.398 1.00 0.00 C ATOM 0 H LEU A 42 9.378 -6.256 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 42 10.134 -3.535 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.835 -4.712 -1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.758 -4.890 0.061 1.00 0.00 H new ATOM 0 HG LEU A 42 8.067 -2.379 0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.531 -1.058 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.022 -2.006 -1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.505 -2.550 -2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.721 -1.896 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.629 -3.415 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.892 -3.458 0.521 1.00 0.00 H new ATOM 666 N SER A 43 10.101 -5.500 1.431 1.00 0.00 N ATOM 667 CA SER A 43 10.524 -5.619 2.820 1.00 0.00 C ATOM 668 C SER A 43 12.012 -5.315 2.972 1.00 0.00 C ATOM 669 O SER A 43 12.427 -4.676 3.937 1.00 0.00 O ATOM 670 CB SER A 43 10.235 -7.029 3.340 1.00 0.00 C ATOM 671 OG SER A 43 8.888 -7.406 3.102 1.00 0.00 O ATOM 0 H SER A 43 9.745 -6.366 1.025 1.00 0.00 H new ATOM 0 HA SER A 43 9.961 -4.891 3.404 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.904 -7.741 2.856 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.443 -7.073 4.409 1.00 0.00 H new ATOM 0 HG SER A 43 8.736 -8.312 3.444 1.00 0.00 H new ATOM 677 N LYS A 44 12.801 -5.772 2.005 1.00 0.00 N ATOM 678 CA LYS A 44 14.253 -5.622 2.046 1.00 0.00 C ATOM 679 C LYS A 44 14.680 -4.162 2.194 1.00 0.00 C ATOM 680 O LYS A 44 15.379 -3.808 3.141 1.00 0.00 O ATOM 681 CB LYS A 44 14.882 -6.224 0.783 1.00 0.00 C ATOM 682 CG LYS A 44 16.347 -5.851 0.590 1.00 0.00 C ATOM 683 CD LYS A 44 16.929 -6.485 -0.661 1.00 0.00 C ATOM 684 CE LYS A 44 17.268 -7.952 -0.440 1.00 0.00 C ATOM 685 NZ LYS A 44 18.396 -8.119 0.517 1.00 0.00 N ATOM 0 H LYS A 44 12.456 -6.254 1.175 1.00 0.00 H new ATOM 0 HA LYS A 44 14.608 -6.158 2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.796 -7.310 0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.315 -5.894 -0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.441 -4.767 0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.921 -6.170 1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.216 -6.395 -1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.827 -5.944 -0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.390 -8.475 -0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.528 -8.413 -1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.820 -9.061 0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.115 -7.390 0.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.042 -8.023 1.490 1.00 0.00 H new ATOM 699 N VAL A 45 14.261 -3.320 1.262 1.00 0.00 N ATOM 700 CA VAL A 45 14.744 -1.951 1.212 1.00 0.00 C ATOM 701 C VAL A 45 13.791 -0.960 1.878 1.00 0.00 C ATOM 702 O VAL A 45 14.218 -0.110 2.663 1.00 0.00 O ATOM 703 CB VAL A 45 15.006 -1.515 -0.243 1.00 0.00 C ATOM 704 CG1 VAL A 45 16.282 -2.154 -0.764 1.00 0.00 C ATOM 705 CG2 VAL A 45 13.827 -1.873 -1.142 1.00 0.00 C ATOM 0 H VAL A 45 13.590 -3.561 0.533 1.00 0.00 H new ATOM 0 HA VAL A 45 15.678 -1.938 1.774 1.00 0.00 H new ATOM 0 HB VAL A 45 15.125 -0.432 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 45 16.454 -1.837 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 45 17.123 -1.845 -0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 45 16.186 -3.239 -0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 45 14.038 -1.554 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 45 13.670 -2.951 -1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 45 12.930 -1.369 -0.783 1.00 0.00 H new ATOM 715 N VAL A 46 12.505 -1.080 1.589 1.00 0.00 N ATOM 716 CA VAL A 46 11.530 -0.086 2.027 1.00 0.00 C ATOM 717 C VAL A 46 11.278 -0.180 3.532 1.00 0.00 C ATOM 718 O VAL A 46 10.978 0.816 4.189 1.00 0.00 O ATOM 719 CB VAL A 46 10.205 -0.237 1.251 1.00 0.00 C ATOM 720 CG1 VAL A 46 9.233 0.876 1.598 1.00 0.00 C ATOM 721 CG2 VAL A 46 10.470 -0.259 -0.246 1.00 0.00 C ATOM 0 H VAL A 46 12.110 -1.853 1.054 1.00 0.00 H new ATOM 0 HA VAL A 46 11.947 0.899 1.814 1.00 0.00 H new ATOM 0 HB VAL A 46 9.750 -1.183 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.309 0.741 1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.014 0.849 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.676 1.839 1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.526 -0.366 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.952 0.672 -0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.121 -1.099 -0.488 1.00 0.00 H new ATOM 731 N PHE A 47 11.434 -1.374 4.082 1.00 0.00 N ATOM 732 CA PHE A 47 11.256 -1.583 5.515 1.00 0.00 C ATOM 733 C PHE A 47 12.596 -1.517 6.241 1.00 0.00 C ATOM 734 O PHE A 47 12.735 -2.018 7.356 1.00 0.00 O ATOM 735 CB PHE A 47 10.590 -2.937 5.783 1.00 0.00 C ATOM 736 CG PHE A 47 9.143 -3.000 5.384 1.00 0.00 C ATOM 737 CD1 PHE A 47 8.773 -3.035 4.049 1.00 0.00 C ATOM 738 CD2 PHE A 47 8.151 -3.036 6.349 1.00 0.00 C ATOM 739 CE1 PHE A 47 7.443 -3.102 3.685 1.00 0.00 C ATOM 740 CE2 PHE A 47 6.819 -3.104 5.990 1.00 0.00 C ATOM 741 CZ PHE A 47 6.467 -3.137 4.656 1.00 0.00 C ATOM 0 H PHE A 47 11.683 -2.214 3.560 1.00 0.00 H new ATOM 0 HA PHE A 47 10.611 -0.789 5.892 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.138 -3.711 5.246 1.00 0.00 H new ATOM 0 HB3 PHE A 47 10.673 -3.166 6.845 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.535 -3.010 3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.422 -3.011 7.394 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.168 -3.127 2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.054 -3.131 6.752 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.426 -3.190 4.373 1.00 0.00 H new ATOM 751 N LYS A 48 13.574 -0.878 5.614 1.00 0.00 N ATOM 752 CA LYS A 48 14.910 -0.795 6.185 1.00 0.00 C ATOM 753 C LYS A 48 15.460 0.623 6.087 1.00 0.00 C ATOM 754 O LYS A 48 16.034 1.139 7.048 1.00 0.00 O ATOM 755 CB LYS A 48 15.838 -1.779 5.474 1.00 0.00 C ATOM 756 CG LYS A 48 17.244 -1.844 6.048 1.00 0.00 C ATOM 757 CD LYS A 48 18.074 -2.900 5.336 1.00 0.00 C ATOM 758 CE LYS A 48 19.506 -2.931 5.842 1.00 0.00 C ATOM 759 NZ LYS A 48 19.584 -3.238 7.296 1.00 0.00 N ATOM 0 H LYS A 48 13.468 -0.411 4.713 1.00 0.00 H new ATOM 0 HA LYS A 48 14.853 -1.058 7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.395 -2.774 5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 48 15.901 -1.504 4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.726 -0.871 5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.196 -2.071 7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.617 -3.879 5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.072 -2.702 4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.070 -3.678 5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.978 -1.967 5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.576 -3.399 7.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.204 -2.438 7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.027 -4.092 7.501 1.00 0.00 H new ATOM 773 N ASP A 49 15.279 1.246 4.929 1.00 0.00 N ATOM 774 CA ASP A 49 15.792 2.595 4.694 1.00 0.00 C ATOM 775 C ASP A 49 15.055 3.617 5.553 1.00 0.00 C ATOM 776 O ASP A 49 13.823 3.654 5.575 1.00 0.00 O ATOM 777 CB ASP A 49 15.668 2.975 3.218 1.00 0.00 C ATOM 778 CG ASP A 49 16.361 4.288 2.901 1.00 0.00 C ATOM 779 OD1 ASP A 49 15.747 5.358 3.098 1.00 0.00 O ATOM 780 OD2 ASP A 49 17.529 4.255 2.451 1.00 0.00 O ATOM 0 H ASP A 49 14.781 0.841 4.136 1.00 0.00 H new ATOM 0 HA ASP A 49 16.846 2.599 4.972 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.097 2.183 2.604 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.614 3.050 2.952 1.00 0.00 H new ATOM 785 N SER A 50 15.818 4.448 6.244 1.00 0.00 N ATOM 786 CA SER A 50 15.265 5.432 7.162 1.00 0.00 C ATOM 787 C SER A 50 14.464 6.510 6.434 1.00 0.00 C ATOM 788 O SER A 50 13.358 6.850 6.850 1.00 0.00 O ATOM 789 CB SER A 50 16.395 6.075 7.962 1.00 0.00 C ATOM 790 OG SER A 50 17.182 5.083 8.603 1.00 0.00 O ATOM 0 H SER A 50 16.836 4.460 6.185 1.00 0.00 H new ATOM 0 HA SER A 50 14.580 4.914 7.833 1.00 0.00 H new ATOM 0 HB2 SER A 50 17.022 6.672 7.300 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.980 6.754 8.706 1.00 0.00 H new ATOM 0 HG SER A 50 16.628 4.590 9.243 1.00 0.00 H new ATOM 796 N LEU A 51 15.016 7.032 5.345 1.00 0.00 N ATOM 797 CA LEU A 51 14.401 8.141 4.632 1.00 0.00 C ATOM 798 C LEU A 51 13.135 7.702 3.909 1.00 0.00 C ATOM 799 O LEU A 51 12.121 8.403 3.941 1.00 0.00 O ATOM 800 CB LEU A 51 15.389 8.751 3.642 1.00 0.00 C ATOM 801 CG LEU A 51 16.612 9.422 4.271 1.00 0.00 C ATOM 802 CD1 LEU A 51 17.494 10.028 3.191 1.00 0.00 C ATOM 803 CD2 LEU A 51 16.183 10.484 5.275 1.00 0.00 C ATOM 0 H LEU A 51 15.891 6.703 4.937 1.00 0.00 H new ATOM 0 HA LEU A 51 14.124 8.896 5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.732 7.968 2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 51 14.862 9.488 3.035 1.00 0.00 H new ATOM 0 HG LEU A 51 17.188 8.665 4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.360 10.502 3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 51 17.828 9.244 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.927 10.773 2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 51 17.066 10.950 5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 51 15.585 11.242 4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 51 15.590 10.021 6.064 1.00 0.00 H new ATOM 815 N VAL A 52 13.199 6.546 3.258 1.00 0.00 N ATOM 816 CA VAL A 52 12.045 6.007 2.547 1.00 0.00 C ATOM 817 C VAL A 52 10.898 5.739 3.517 1.00 0.00 C ATOM 818 O VAL A 52 9.769 6.190 3.303 1.00 0.00 O ATOM 819 CB VAL A 52 12.403 4.708 1.789 1.00 0.00 C ATOM 820 CG1 VAL A 52 11.173 4.108 1.125 1.00 0.00 C ATOM 821 CG2 VAL A 52 13.490 4.975 0.755 1.00 0.00 C ATOM 0 H VAL A 52 14.036 5.965 3.208 1.00 0.00 H new ATOM 0 HA VAL A 52 11.732 6.753 1.817 1.00 0.00 H new ATOM 0 HB VAL A 52 12.782 3.988 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.452 3.195 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.427 3.875 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.757 4.823 0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.729 4.049 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.136 5.716 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.383 5.350 1.255 1.00 0.00 H new ATOM 831 N ALA A 53 11.207 5.039 4.605 1.00 0.00 N ATOM 832 CA ALA A 53 10.208 4.712 5.615 1.00 0.00 C ATOM 833 C ALA A 53 9.601 5.973 6.211 1.00 0.00 C ATOM 834 O ALA A 53 8.395 6.043 6.447 1.00 0.00 O ATOM 835 CB ALA A 53 10.825 3.855 6.709 1.00 0.00 C ATOM 0 H ALA A 53 12.143 4.687 4.809 1.00 0.00 H new ATOM 0 HA ALA A 53 9.410 4.147 5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.068 3.618 7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.208 2.931 6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.642 4.400 7.181 1.00 0.00 H new ATOM 841 N ASP A 54 10.446 6.970 6.435 1.00 0.00 N ATOM 842 CA ASP A 54 10.016 8.239 7.012 1.00 0.00 C ATOM 843 C ASP A 54 9.050 8.966 6.085 1.00 0.00 C ATOM 844 O ASP A 54 7.982 9.415 6.508 1.00 0.00 O ATOM 845 CB ASP A 54 11.235 9.122 7.295 1.00 0.00 C ATOM 846 CG ASP A 54 10.860 10.507 7.777 1.00 0.00 C ATOM 847 OD1 ASP A 54 10.179 10.614 8.815 1.00 0.00 O ATOM 848 OD2 ASP A 54 11.270 11.496 7.130 1.00 0.00 O ATOM 0 H ASP A 54 11.443 6.924 6.224 1.00 0.00 H new ATOM 0 HA ASP A 54 9.495 8.029 7.946 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.861 8.639 8.045 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.833 9.208 6.388 1.00 0.00 H new ATOM 853 N TYR A 55 9.425 9.057 4.814 1.00 0.00 N ATOM 854 CA TYR A 55 8.637 9.787 3.828 1.00 0.00 C ATOM 855 C TYR A 55 7.248 9.177 3.665 1.00 0.00 C ATOM 856 O TYR A 55 6.236 9.878 3.755 1.00 0.00 O ATOM 857 CB TYR A 55 9.358 9.807 2.475 1.00 0.00 C ATOM 858 CG TYR A 55 8.595 10.530 1.389 1.00 0.00 C ATOM 859 CD1 TYR A 55 8.672 11.911 1.262 1.00 0.00 C ATOM 860 CD2 TYR A 55 7.791 9.833 0.497 1.00 0.00 C ATOM 861 CE1 TYR A 55 7.970 12.574 0.275 1.00 0.00 C ATOM 862 CE2 TYR A 55 7.085 10.489 -0.489 1.00 0.00 C ATOM 863 CZ TYR A 55 7.179 11.859 -0.597 1.00 0.00 C ATOM 864 OH TYR A 55 6.468 12.515 -1.575 1.00 0.00 O ATOM 0 H TYR A 55 10.274 8.632 4.441 1.00 0.00 H new ATOM 0 HA TYR A 55 8.521 10.809 4.189 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.332 10.281 2.599 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.541 8.781 2.156 1.00 0.00 H new ATOM 0 HD1 TYR A 55 9.290 12.475 1.945 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.717 8.758 0.577 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.041 13.648 0.187 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.462 9.932 -1.173 1.00 0.00 H new ATOM 0 HH TYR A 55 5.963 11.864 -2.105 1.00 0.00 H new ATOM 874 N PHE A 56 7.202 7.873 3.433 1.00 0.00 N ATOM 875 CA PHE A 56 5.944 7.190 3.169 1.00 0.00 C ATOM 876 C PHE A 56 5.045 7.161 4.399 1.00 0.00 C ATOM 877 O PHE A 56 3.827 7.169 4.274 1.00 0.00 O ATOM 878 CB PHE A 56 6.193 5.771 2.665 1.00 0.00 C ATOM 879 CG PHE A 56 6.571 5.701 1.211 1.00 0.00 C ATOM 880 CD1 PHE A 56 7.892 5.821 0.813 1.00 0.00 C ATOM 881 CD2 PHE A 56 5.599 5.516 0.242 1.00 0.00 C ATOM 882 CE1 PHE A 56 8.237 5.758 -0.523 1.00 0.00 C ATOM 883 CE2 PHE A 56 5.936 5.453 -1.096 1.00 0.00 C ATOM 884 CZ PHE A 56 7.257 5.574 -1.480 1.00 0.00 C ATOM 0 H PHE A 56 8.022 7.266 3.422 1.00 0.00 H new ATOM 0 HA PHE A 56 5.428 7.755 2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.987 5.318 3.259 1.00 0.00 H new ATOM 0 HB3 PHE A 56 5.295 5.175 2.826 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.662 5.966 1.556 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.564 5.420 0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.271 5.852 -0.819 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.167 5.309 -1.841 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.524 5.525 -2.525 1.00 0.00 H new ATOM 894 N ASN A 57 5.641 7.132 5.585 1.00 0.00 N ATOM 895 CA ASN A 57 4.863 7.083 6.823 1.00 0.00 C ATOM 896 C ASN A 57 4.154 8.412 7.082 1.00 0.00 C ATOM 897 O ASN A 57 3.043 8.440 7.612 1.00 0.00 O ATOM 898 CB ASN A 57 5.758 6.730 8.015 1.00 0.00 C ATOM 899 CG ASN A 57 4.977 6.571 9.307 1.00 0.00 C ATOM 900 OD1 ASN A 57 4.800 7.525 10.066 1.00 0.00 O ATOM 901 ND2 ASN A 57 4.508 5.361 9.571 1.00 0.00 N ATOM 0 H ASN A 57 6.652 7.141 5.719 1.00 0.00 H new ATOM 0 HA ASN A 57 4.109 6.305 6.706 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.292 5.804 7.802 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.510 7.509 8.143 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.980 5.194 10.428 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.675 4.596 8.918 1.00 0.00 H new ATOM 908 N ARG A 58 4.798 9.510 6.699 1.00 0.00 N ATOM 909 CA ARG A 58 4.227 10.836 6.926 1.00 0.00 C ATOM 910 C ARG A 58 3.230 11.216 5.834 1.00 0.00 C ATOM 911 O ARG A 58 2.159 11.744 6.116 1.00 0.00 O ATOM 912 CB ARG A 58 5.312 11.912 6.979 1.00 0.00 C ATOM 913 CG ARG A 58 6.377 11.698 8.039 1.00 0.00 C ATOM 914 CD ARG A 58 7.260 12.927 8.158 1.00 0.00 C ATOM 915 NE ARG A 58 8.507 12.664 8.869 1.00 0.00 N ATOM 916 CZ ARG A 58 9.147 13.570 9.604 1.00 0.00 C ATOM 917 NH1 ARG A 58 8.577 14.741 9.865 1.00 0.00 N ATOM 918 NH2 ARG A 58 10.345 13.284 10.102 1.00 0.00 N ATOM 0 H ARG A 58 5.706 9.511 6.235 1.00 0.00 H new ATOM 0 HA ARG A 58 3.713 10.784 7.886 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.797 11.966 6.004 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.837 12.877 7.153 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.906 11.486 8.999 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.984 10.830 7.783 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.489 13.302 7.160 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.711 13.714 8.676 1.00 0.00 H new ATOM 0 HE ARG A 58 8.912 11.730 8.798 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.647 14.948 9.502 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.070 15.434 10.429 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.769 12.374 9.920 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.841 13.974 10.666 1.00 0.00 H new ATOM 932 N HIS A 59 3.592 10.954 4.583 1.00 0.00 N ATOM 933 CA HIS A 59 2.816 11.453 3.448 1.00 0.00 C ATOM 934 C HIS A 59 1.702 10.492 3.055 1.00 0.00 C ATOM 935 O HIS A 59 0.850 10.834 2.238 1.00 0.00 O ATOM 936 CB HIS A 59 3.727 11.714 2.241 1.00 0.00 C ATOM 937 CG HIS A 59 4.712 12.821 2.457 1.00 0.00 C ATOM 938 ND1 HIS A 59 5.685 12.971 3.387 1.00 0.00 N flip ATOM 939 CD2 HIS A 59 4.779 13.943 1.656 1.00 0.00 C flip ATOM 940 CE1 HIS A 59 6.310 14.163 3.136 1.00 0.00 C flip ATOM 941 NE2 HIS A 59 5.747 14.731 2.088 1.00 0.00 N flip ATOM 0 H HIS A 59 4.412 10.403 4.328 1.00 0.00 H new ATOM 0 HA HIS A 59 2.357 12.391 3.762 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.269 10.799 2.002 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.109 11.954 1.376 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.140 14.145 0.809 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.132 14.572 3.705 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.014 15.627 1.680 1.00 0.00 H new ATOM 950 N PHE A 60 1.720 9.295 3.627 1.00 0.00 N ATOM 951 CA PHE A 60 0.717 8.282 3.320 1.00 0.00 C ATOM 952 C PHE A 60 0.358 7.501 4.576 1.00 0.00 C ATOM 953 O PHE A 60 1.202 7.296 5.449 1.00 0.00 O ATOM 954 CB PHE A 60 1.238 7.295 2.262 1.00 0.00 C ATOM 955 CG PHE A 60 1.732 7.933 0.993 1.00 0.00 C ATOM 956 CD1 PHE A 60 0.850 8.266 -0.022 1.00 0.00 C ATOM 957 CD2 PHE A 60 3.080 8.195 0.815 1.00 0.00 C ATOM 958 CE1 PHE A 60 1.305 8.850 -1.189 1.00 0.00 C ATOM 959 CE2 PHE A 60 3.541 8.779 -0.349 1.00 0.00 C ATOM 960 CZ PHE A 60 2.652 9.107 -1.352 1.00 0.00 C ATOM 0 H PHE A 60 2.420 9.001 4.308 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.164 8.795 2.933 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.049 6.711 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.440 6.596 2.014 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.204 8.067 0.100 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.780 7.939 1.596 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.608 9.105 -1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.595 8.978 -0.474 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.009 9.564 -2.263 1.00 0.00 H new ATOM 970 N VAL A 61 -0.893 7.084 4.682 1.00 0.00 N ATOM 971 CA VAL A 61 -1.271 6.130 5.710 1.00 0.00 C ATOM 972 C VAL A 61 -1.148 4.730 5.143 1.00 0.00 C ATOM 973 O VAL A 61 -1.921 4.330 4.273 1.00 0.00 O ATOM 974 CB VAL A 61 -2.705 6.352 6.237 1.00 0.00 C ATOM 975 CG1 VAL A 61 -3.078 5.287 7.260 1.00 0.00 C ATOM 976 CG2 VAL A 61 -2.834 7.732 6.847 1.00 0.00 C ATOM 0 H VAL A 61 -1.656 7.387 4.076 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.599 6.271 6.557 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.393 6.274 5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.093 5.465 7.617 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.024 4.302 6.796 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.385 5.331 8.100 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.850 7.874 7.214 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.132 7.831 7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.613 8.486 6.092 1.00 0.00 H new ATOM 986 N ASN A 62 -0.168 3.998 5.629 1.00 0.00 N ATOM 987 CA ASN A 62 0.138 2.683 5.098 1.00 0.00 C ATOM 988 C ASN A 62 -0.715 1.623 5.769 1.00 0.00 C ATOM 989 O ASN A 62 -0.618 1.406 6.972 1.00 0.00 O ATOM 990 CB ASN A 62 1.624 2.380 5.285 1.00 0.00 C ATOM 991 CG ASN A 62 2.504 3.347 4.517 1.00 0.00 C ATOM 992 OD1 ASN A 62 2.896 3.085 3.382 1.00 0.00 O ATOM 993 ND2 ASN A 62 2.815 4.479 5.134 1.00 0.00 N ATOM 0 H ASN A 62 0.435 4.293 6.397 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.090 2.672 4.032 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.873 2.428 6.345 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.830 1.362 4.955 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.400 5.171 4.666 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.469 4.658 6.077 1.00 0.00 H new ATOM 1000 N LEU A 63 -1.558 0.982 4.982 1.00 0.00 N ATOM 1001 CA LEU A 63 -2.463 -0.040 5.480 1.00 0.00 C ATOM 1002 C LEU A 63 -2.096 -1.402 4.906 1.00 0.00 C ATOM 1003 O LEU A 63 -1.986 -1.564 3.689 1.00 0.00 O ATOM 1004 CB LEU A 63 -3.906 0.306 5.099 1.00 0.00 C ATOM 1005 CG LEU A 63 -4.960 -0.732 5.499 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -5.103 -0.804 7.010 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -6.298 -0.411 4.848 1.00 0.00 C ATOM 0 H LEU A 63 -1.636 1.154 3.980 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.375 -0.079 6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.167 1.259 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.954 0.450 4.020 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.629 -1.708 5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.857 -1.548 7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.148 -1.086 7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.407 0.170 7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.035 -1.158 5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.632 0.575 5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.186 -0.420 3.764 1.00 0.00 H new ATOM 1019 N LYS A 64 -1.901 -2.372 5.783 1.00 0.00 N ATOM 1020 CA LYS A 64 -1.620 -3.736 5.359 1.00 0.00 C ATOM 1021 C LYS A 64 -2.867 -4.590 5.532 1.00 0.00 C ATOM 1022 O LYS A 64 -3.530 -4.519 6.566 1.00 0.00 O ATOM 1023 CB LYS A 64 -0.456 -4.329 6.162 1.00 0.00 C ATOM 1024 CG LYS A 64 -0.670 -4.311 7.671 1.00 0.00 C ATOM 1025 CD LYS A 64 0.515 -4.908 8.413 1.00 0.00 C ATOM 1026 CE LYS A 64 0.633 -6.410 8.188 1.00 0.00 C ATOM 1027 NZ LYS A 64 -0.450 -7.165 8.870 1.00 0.00 N ATOM 0 H LYS A 64 -1.932 -2.242 6.794 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.333 -3.723 4.308 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.294 -5.358 5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.453 -3.775 5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.829 -3.285 8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.573 -4.870 7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.432 -4.419 8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.412 -4.708 9.480 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.602 -6.619 7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.600 -6.756 8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.248 -8.184 8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.504 -6.871 9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.358 -6.969 8.402 1.00 0.00 H new ATOM 1041 N MET A 65 -3.204 -5.374 4.521 1.00 0.00 N ATOM 1042 CA MET A 65 -4.371 -6.242 4.613 1.00 0.00 C ATOM 1043 C MET A 65 -4.155 -7.529 3.830 1.00 0.00 C ATOM 1044 O MET A 65 -3.568 -7.522 2.747 1.00 0.00 O ATOM 1045 CB MET A 65 -5.622 -5.516 4.110 1.00 0.00 C ATOM 1046 CG MET A 65 -6.901 -6.326 4.258 1.00 0.00 C ATOM 1047 SD MET A 65 -8.366 -5.428 3.706 1.00 0.00 S ATOM 1048 CE MET A 65 -8.387 -4.061 4.866 1.00 0.00 C ATOM 0 H MET A 65 -2.696 -5.429 3.638 1.00 0.00 H new ATOM 0 HA MET A 65 -4.517 -6.501 5.662 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.731 -4.579 4.655 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.485 -5.259 3.060 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.809 -7.249 3.686 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.027 -6.610 5.303 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.417 -3.834 5.142 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.823 -4.332 5.758 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.934 -3.184 4.403 1.00 0.00 H new ATOM 1058 N ASP A 66 -4.628 -8.629 4.397 1.00 0.00 N ATOM 1059 CA ASP A 66 -4.523 -9.933 3.766 1.00 0.00 C ATOM 1060 C ASP A 66 -5.530 -10.066 2.637 1.00 0.00 C ATOM 1061 O ASP A 66 -6.548 -9.375 2.612 1.00 0.00 O ATOM 1062 CB ASP A 66 -4.774 -11.046 4.783 1.00 0.00 C ATOM 1063 CG ASP A 66 -3.695 -11.150 5.838 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -3.819 -10.488 6.890 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -2.736 -11.928 5.636 1.00 0.00 O ATOM 0 H ASP A 66 -5.094 -8.641 5.304 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.513 -10.025 3.366 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.733 -10.873 5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.851 -11.998 4.257 1.00 0.00 H new ATOM 1070 N MET A 67 -5.235 -10.950 1.699 1.00 0.00 N ATOM 1071 CA MET A 67 -6.178 -11.291 0.646 1.00 0.00 C ATOM 1072 C MET A 67 -6.878 -12.591 1.018 1.00 0.00 C ATOM 1073 O MET A 67 -7.766 -13.070 0.312 1.00 0.00 O ATOM 1074 CB MET A 67 -5.466 -11.420 -0.701 1.00 0.00 C ATOM 1075 CG MET A 67 -4.784 -10.134 -1.143 1.00 0.00 C ATOM 1076 SD MET A 67 -4.085 -10.244 -2.798 1.00 0.00 S ATOM 1077 CE MET A 67 -5.560 -10.544 -3.766 1.00 0.00 C ATOM 0 H MET A 67 -4.346 -11.447 1.645 1.00 0.00 H new ATOM 0 HA MET A 67 -6.917 -10.496 0.547 1.00 0.00 H new ATOM 0 HB2 MET A 67 -4.723 -12.215 -0.637 1.00 0.00 H new ATOM 0 HB3 MET A 67 -6.189 -11.720 -1.460 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.505 -9.317 -1.112 1.00 0.00 H new ATOM 0 HG3 MET A 67 -3.992 -9.887 -0.436 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.445 -10.095 -4.753 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.714 -11.618 -3.872 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.421 -10.102 -3.264 1.00 0.00 H new ATOM 1087 N GLU A 68 -6.442 -13.151 2.138 1.00 0.00 N ATOM 1088 CA GLU A 68 -7.068 -14.313 2.739 1.00 0.00 C ATOM 1089 C GLU A 68 -7.377 -13.992 4.188 1.00 0.00 C ATOM 1090 O GLU A 68 -6.461 -13.832 5.001 1.00 0.00 O ATOM 1091 CB GLU A 68 -6.157 -15.537 2.647 1.00 0.00 C ATOM 1092 CG GLU A 68 -5.772 -15.881 1.224 1.00 0.00 C ATOM 1093 CD GLU A 68 -4.833 -17.062 1.136 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -3.665 -16.940 1.570 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -5.260 -18.124 0.637 1.00 0.00 O ATOM 0 H GLU A 68 -5.635 -12.805 2.658 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.987 -14.550 2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.253 -15.355 3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.660 -16.392 3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.674 -16.097 0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.301 -15.014 0.761 1.00 0.00 H new ATOM 1102 N LYS A 69 -8.665 -13.880 4.482 1.00 0.00 N ATOM 1103 CA LYS A 69 -9.158 -13.440 5.787 1.00 0.00 C ATOM 1104 C LYS A 69 -8.942 -11.937 5.970 1.00 0.00 C ATOM 1105 O LYS A 69 -8.142 -11.318 5.265 1.00 0.00 O ATOM 1106 CB LYS A 69 -8.495 -14.215 6.931 1.00 0.00 C ATOM 1107 CG LYS A 69 -8.769 -15.712 6.904 1.00 0.00 C ATOM 1108 CD LYS A 69 -8.020 -16.433 8.012 1.00 0.00 C ATOM 1109 CE LYS A 69 -8.230 -17.933 7.940 1.00 0.00 C ATOM 1110 NZ LYS A 69 -7.513 -18.643 9.029 1.00 0.00 N ATOM 0 H LYS A 69 -9.408 -14.094 3.816 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.228 -13.647 5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.418 -14.052 6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.843 -13.809 7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.839 -15.889 7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.473 -16.120 5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.956 -16.210 7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.357 -16.063 8.981 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.296 -18.154 8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.883 -18.303 6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.681 -19.666 8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.493 -18.452 8.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.862 -18.309 9.950 1.00 0.00 H new ATOM 1124 N GLY A 70 -9.672 -11.349 6.906 1.00 0.00 N ATOM 1125 CA GLY A 70 -9.563 -9.923 7.142 1.00 0.00 C ATOM 1126 C GLY A 70 -10.327 -9.120 6.110 1.00 0.00 C ATOM 1127 O GLY A 70 -9.961 -7.984 5.806 1.00 0.00 O ATOM 0 H GLY A 70 -10.339 -11.834 7.507 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.942 -9.690 8.137 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.513 -9.631 7.124 1.00 0.00 H new ATOM 1131 N GLU A 71 -11.389 -9.732 5.575 1.00 0.00 N ATOM 1132 CA GLU A 71 -12.237 -9.124 4.543 1.00 0.00 C ATOM 1133 C GLU A 71 -11.494 -9.002 3.213 1.00 0.00 C ATOM 1134 O GLU A 71 -11.937 -8.301 2.302 1.00 0.00 O ATOM 1135 CB GLU A 71 -12.782 -7.757 4.988 1.00 0.00 C ATOM 1136 CG GLU A 71 -13.985 -7.846 5.921 1.00 0.00 C ATOM 1137 CD GLU A 71 -13.668 -8.511 7.243 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -13.242 -7.803 8.176 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -13.856 -9.741 7.369 1.00 0.00 O ATOM 0 H GLU A 71 -11.686 -10.669 5.847 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.088 -9.789 4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.986 -7.205 5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.061 -7.183 4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.366 -6.842 6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.781 -8.401 5.425 1.00 0.00 H new ATOM 1146 N GLY A 72 -10.391 -9.732 3.096 1.00 0.00 N ATOM 1147 CA GLY A 72 -9.615 -9.729 1.873 1.00 0.00 C ATOM 1148 C GLY A 72 -10.392 -10.292 0.701 1.00 0.00 C ATOM 1149 O GLY A 72 -10.205 -9.867 -0.441 1.00 0.00 O ATOM 0 H GLY A 72 -10.019 -10.330 3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.304 -8.710 1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.707 -10.314 2.019 1.00 0.00 H new ATOM 1153 N VAL A 73 -11.274 -11.246 0.989 1.00 0.00 N ATOM 1154 CA VAL A 73 -12.097 -11.877 -0.040 1.00 0.00 C ATOM 1155 C VAL A 73 -12.934 -10.839 -0.798 1.00 0.00 C ATOM 1156 O VAL A 73 -13.133 -10.954 -2.009 1.00 0.00 O ATOM 1157 CB VAL A 73 -13.015 -12.968 0.570 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -13.928 -12.386 1.636 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -13.831 -13.667 -0.508 1.00 0.00 C ATOM 0 H VAL A 73 -11.438 -11.601 1.931 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.421 -12.354 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.371 -13.709 1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.559 -13.175 2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.325 -11.953 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.555 -11.612 1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.465 -14.426 -0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.455 -12.937 -1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.159 -14.139 -1.224 1.00 0.00 H new ATOM 1169 N GLU A 74 -13.391 -9.810 -0.089 1.00 0.00 N ATOM 1170 CA GLU A 74 -14.187 -8.752 -0.697 1.00 0.00 C ATOM 1171 C GLU A 74 -13.364 -7.996 -1.734 1.00 0.00 C ATOM 1172 O GLU A 74 -13.776 -7.847 -2.888 1.00 0.00 O ATOM 1173 CB GLU A 74 -14.691 -7.781 0.377 1.00 0.00 C ATOM 1174 CG GLU A 74 -15.469 -6.592 -0.175 1.00 0.00 C ATOM 1175 CD GLU A 74 -16.831 -6.971 -0.726 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -16.893 -7.625 -1.784 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -17.848 -6.597 -0.104 1.00 0.00 O ATOM 0 H GLU A 74 -13.222 -9.688 0.909 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.044 -9.208 -1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -15.327 -8.326 1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.838 -7.411 0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.597 -5.852 0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.884 -6.118 -0.964 1.00 0.00 H new ATOM 1184 N LEU A 75 -12.183 -7.548 -1.327 1.00 0.00 N ATOM 1185 CA LEU A 75 -11.334 -6.742 -2.190 1.00 0.00 C ATOM 1186 C LEU A 75 -10.739 -7.577 -3.318 1.00 0.00 C ATOM 1187 O LEU A 75 -10.523 -7.073 -4.420 1.00 0.00 O ATOM 1188 CB LEU A 75 -10.221 -6.059 -1.386 1.00 0.00 C ATOM 1189 CG LEU A 75 -10.678 -4.917 -0.467 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -11.325 -5.450 0.803 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -9.511 -4.006 -0.127 1.00 0.00 C ATOM 0 H LEU A 75 -11.792 -7.730 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.961 -5.969 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.720 -6.813 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.480 -5.667 -2.083 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.428 -4.338 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.637 -4.615 1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.195 -6.053 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.607 -6.064 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.854 -3.203 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.737 -4.581 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.103 -3.580 -1.044 1.00 0.00 H new ATOM 1203 N ARG A 76 -10.493 -8.855 -3.047 1.00 0.00 N ATOM 1204 CA ARG A 76 -9.972 -9.769 -4.059 1.00 0.00 C ATOM 1205 C ARG A 76 -10.931 -9.847 -5.247 1.00 0.00 C ATOM 1206 O ARG A 76 -10.514 -9.847 -6.406 1.00 0.00 O ATOM 1207 CB ARG A 76 -9.759 -11.161 -3.458 1.00 0.00 C ATOM 1208 CG ARG A 76 -9.100 -12.147 -4.410 1.00 0.00 C ATOM 1209 CD ARG A 76 -9.016 -13.541 -3.803 1.00 0.00 C ATOM 1210 NE ARG A 76 -8.303 -14.478 -4.673 1.00 0.00 N ATOM 1211 CZ ARG A 76 -8.819 -15.625 -5.120 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -10.048 -15.987 -4.774 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -8.098 -16.421 -5.902 1.00 0.00 N ATOM 0 H ARG A 76 -10.646 -9.282 -2.134 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.012 -9.390 -4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -9.145 -11.070 -2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.723 -11.562 -3.144 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.666 -12.188 -5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.098 -11.798 -4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.511 -13.486 -2.839 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.022 -13.915 -3.615 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.352 -14.239 -4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.603 -15.388 -4.164 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.437 -16.865 -5.119 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.148 -16.156 -6.162 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.495 -17.297 -6.242 1.00 0.00 H new ATOM 1227 N LYS A 77 -12.223 -9.913 -4.947 1.00 0.00 N ATOM 1228 CA LYS A 77 -13.251 -9.936 -5.981 1.00 0.00 C ATOM 1229 C LYS A 77 -13.473 -8.536 -6.558 1.00 0.00 C ATOM 1230 O LYS A 77 -13.816 -8.378 -7.728 1.00 0.00 O ATOM 1231 CB LYS A 77 -14.561 -10.486 -5.403 1.00 0.00 C ATOM 1232 CG LYS A 77 -15.722 -10.472 -6.385 1.00 0.00 C ATOM 1233 CD LYS A 77 -16.997 -11.012 -5.758 1.00 0.00 C ATOM 1234 CE LYS A 77 -18.198 -10.814 -6.671 1.00 0.00 C ATOM 1235 NZ LYS A 77 -18.026 -11.492 -7.984 1.00 0.00 N ATOM 0 H LYS A 77 -12.584 -9.952 -3.994 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.916 -10.587 -6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -14.396 -11.509 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.833 -9.900 -4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.891 -9.453 -6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.466 -11.070 -7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.875 -12.073 -5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -17.176 -10.511 -4.807 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.092 -11.199 -6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.357 -9.748 -6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -18.917 -11.445 -8.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.274 -11.018 -8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -17.767 -12.487 -7.829 1.00 0.00 H new ATOM 1249 N LYS A 78 -13.254 -7.525 -5.727 1.00 0.00 N ATOM 1250 CA LYS A 78 -13.568 -6.146 -6.088 1.00 0.00 C ATOM 1251 C LYS A 78 -12.539 -5.559 -7.052 1.00 0.00 C ATOM 1252 O LYS A 78 -12.894 -5.002 -8.092 1.00 0.00 O ATOM 1253 CB LYS A 78 -13.641 -5.283 -4.823 1.00 0.00 C ATOM 1254 CG LYS A 78 -14.082 -3.847 -5.077 1.00 0.00 C ATOM 1255 CD LYS A 78 -15.495 -3.784 -5.628 1.00 0.00 C ATOM 1256 CE LYS A 78 -16.506 -4.339 -4.638 1.00 0.00 C ATOM 1257 NZ LYS A 78 -17.893 -4.277 -5.165 1.00 0.00 N ATOM 0 H LYS A 78 -12.858 -7.634 -4.793 1.00 0.00 H new ATOM 0 HA LYS A 78 -14.533 -6.149 -6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -14.333 -5.746 -4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.661 -5.272 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.028 -3.280 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -13.396 -3.374 -5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -15.748 -2.751 -5.866 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -15.549 -4.348 -6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.253 -5.373 -4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.447 -3.777 -3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -18.550 -4.665 -4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -18.144 -3.288 -5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -17.957 -4.834 -6.041 1.00 0.00 H new ATOM 1271 N TYR A 79 -11.269 -5.699 -6.716 1.00 0.00 N ATOM 1272 CA TYR A 79 -10.203 -5.081 -7.492 1.00 0.00 C ATOM 1273 C TYR A 79 -9.579 -6.081 -8.454 1.00 0.00 C ATOM 1274 O TYR A 79 -8.893 -5.697 -9.404 1.00 0.00 O ATOM 1275 CB TYR A 79 -9.152 -4.497 -6.554 1.00 0.00 C ATOM 1276 CG TYR A 79 -9.725 -3.462 -5.610 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -9.825 -2.129 -5.986 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -10.179 -3.820 -4.348 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -10.354 -1.182 -5.129 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -10.709 -2.879 -3.485 1.00 0.00 C ATOM 1281 CZ TYR A 79 -10.795 -1.563 -3.880 1.00 0.00 C ATOM 1282 OH TYR A 79 -11.322 -0.624 -3.019 1.00 0.00 O ATOM 0 H TYR A 79 -10.948 -6.236 -5.910 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.628 -4.273 -8.088 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.701 -5.302 -5.974 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.355 -4.044 -7.144 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.484 -1.827 -6.965 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -10.117 -4.852 -4.035 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.421 -0.149 -5.437 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.054 -3.175 -2.505 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.585 -1.059 -2.182 1.00 0.00 H new ATOM 1292 N GLY A 80 -9.828 -7.358 -8.210 1.00 0.00 N ATOM 1293 CA GLY A 80 -9.353 -8.388 -9.107 1.00 0.00 C ATOM 1294 C GLY A 80 -7.983 -8.900 -8.726 1.00 0.00 C ATOM 1295 O GLY A 80 -6.989 -8.179 -8.834 1.00 0.00 O ATOM 0 H GLY A 80 -10.352 -7.700 -7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.060 -9.218 -9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.321 -7.994 -10.123 1.00 0.00 H new ATOM 1299 N VAL A 81 -7.932 -10.140 -8.265 1.00 0.00 N ATOM 1300 CA VAL A 81 -6.669 -10.778 -7.933 1.00 0.00 C ATOM 1301 C VAL A 81 -5.891 -11.110 -9.207 1.00 0.00 C ATOM 1302 O VAL A 81 -6.453 -11.607 -10.187 1.00 0.00 O ATOM 1303 CB VAL A 81 -6.885 -12.063 -7.091 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -7.732 -13.083 -7.842 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -5.553 -12.675 -6.675 1.00 0.00 C ATOM 0 H VAL A 81 -8.753 -10.725 -8.112 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.091 -10.076 -7.332 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.426 -11.776 -6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.864 -13.971 -7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.706 -12.650 -8.069 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.232 -13.358 -8.771 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.734 -13.574 -6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.978 -12.933 -7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.993 -11.956 -6.077 1.00 0.00 H new ATOM 1315 N HIS A 82 -4.607 -10.799 -9.207 1.00 0.00 N ATOM 1316 CA HIS A 82 -3.755 -11.093 -10.348 1.00 0.00 C ATOM 1317 C HIS A 82 -2.433 -11.672 -9.873 1.00 0.00 C ATOM 1318 O HIS A 82 -2.172 -12.865 -10.037 1.00 0.00 O ATOM 1319 CB HIS A 82 -3.502 -9.840 -11.199 1.00 0.00 C ATOM 1320 CG HIS A 82 -4.732 -9.272 -11.838 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -5.320 -8.098 -11.423 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -5.479 -9.714 -12.878 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -6.372 -7.843 -12.175 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -6.493 -8.808 -13.063 1.00 0.00 N ATOM 0 H HIS A 82 -4.130 -10.343 -8.429 1.00 0.00 H new ATOM 0 HA HIS A 82 -4.270 -11.824 -10.971 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -3.046 -9.074 -10.571 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.781 -10.084 -11.979 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.308 -10.612 -13.454 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.024 -6.988 -12.079 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -7.222 -8.872 -13.773 1.00 0.00 H new ATOM 1333 N ALA A 83 -1.617 -10.828 -9.254 1.00 0.00 N ATOM 1334 CA ALA A 83 -0.294 -11.233 -8.803 1.00 0.00 C ATOM 1335 C ALA A 83 -0.277 -11.463 -7.294 1.00 0.00 C ATOM 1336 O ALA A 83 -1.323 -11.654 -6.672 1.00 0.00 O ATOM 1337 CB ALA A 83 0.732 -10.177 -9.193 1.00 0.00 C ATOM 0 H ALA A 83 -1.850 -9.856 -9.053 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.037 -12.175 -9.288 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.720 -10.486 -8.852 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.741 -10.062 -10.277 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.470 -9.226 -8.729 1.00 0.00 H new ATOM 1343 N TYR A 84 0.916 -11.432 -6.713 1.00 0.00 N ATOM 1344 CA TYR A 84 1.083 -11.629 -5.277 1.00 0.00 C ATOM 1345 C TYR A 84 1.027 -10.291 -4.542 1.00 0.00 C ATOM 1346 O TYR A 84 0.340 -10.176 -3.524 1.00 0.00 O ATOM 1347 CB TYR A 84 2.414 -12.326 -4.982 1.00 0.00 C ATOM 1348 CG TYR A 84 2.646 -13.565 -5.817 1.00 0.00 C ATOM 1349 CD1 TYR A 84 2.086 -14.782 -5.460 1.00 0.00 C ATOM 1350 CD2 TYR A 84 3.423 -13.511 -6.968 1.00 0.00 C ATOM 1351 CE1 TYR A 84 2.294 -15.914 -6.225 1.00 0.00 C ATOM 1352 CE2 TYR A 84 3.633 -14.637 -7.739 1.00 0.00 C ATOM 1353 CZ TYR A 84 3.067 -15.835 -7.363 1.00 0.00 C ATOM 1354 OH TYR A 84 3.267 -16.959 -8.131 1.00 0.00 O ATOM 0 H TYR A 84 1.788 -11.271 -7.217 1.00 0.00 H new ATOM 0 HA TYR A 84 0.267 -12.260 -4.924 1.00 0.00 H new ATOM 0 HB2 TYR A 84 3.229 -11.623 -5.155 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.446 -12.598 -3.927 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.478 -14.846 -4.570 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.870 -12.573 -7.264 1.00 0.00 H new ATOM 0 HE1 TYR A 84 1.853 -16.855 -5.932 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.238 -14.579 -8.632 1.00 0.00 H new ATOM 0 HH TYR A 84 3.834 -16.734 -8.898 1.00 0.00 H new ATOM 1364 N PRO A 85 1.772 -9.263 -5.015 1.00 0.00 N ATOM 1365 CA PRO A 85 1.624 -7.913 -4.507 1.00 0.00 C ATOM 1366 C PRO A 85 0.565 -7.132 -5.285 1.00 0.00 C ATOM 1367 O PRO A 85 0.418 -7.312 -6.497 1.00 0.00 O ATOM 1368 CB PRO A 85 3.007 -7.311 -4.729 1.00 0.00 C ATOM 1369 CG PRO A 85 3.524 -7.988 -5.954 1.00 0.00 C ATOM 1370 CD PRO A 85 2.841 -9.333 -6.036 1.00 0.00 C ATOM 0 HA PRO A 85 1.297 -7.887 -3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.951 -6.231 -4.867 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.658 -7.489 -3.873 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.312 -7.393 -6.842 1.00 0.00 H new ATOM 0 HG3 PRO A 85 4.606 -8.107 -5.901 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.431 -9.511 -7.030 1.00 0.00 H new ATOM 0 HD3 PRO A 85 3.537 -10.146 -5.828 1.00 0.00 H new ATOM 1378 N THR A 86 -0.188 -6.294 -4.596 1.00 0.00 N ATOM 1379 CA THR A 86 -1.185 -5.457 -5.246 1.00 0.00 C ATOM 1380 C THR A 86 -1.346 -4.136 -4.500 1.00 0.00 C ATOM 1381 O THR A 86 -1.784 -4.106 -3.349 1.00 0.00 O ATOM 1382 CB THR A 86 -2.544 -6.184 -5.337 1.00 0.00 C ATOM 1383 OG1 THR A 86 -2.373 -7.433 -6.024 1.00 0.00 O ATOM 1384 CG2 THR A 86 -3.576 -5.336 -6.073 1.00 0.00 C ATOM 0 H THR A 86 -0.129 -6.173 -3.585 1.00 0.00 H new ATOM 0 HA THR A 86 -0.838 -5.249 -6.258 1.00 0.00 H new ATOM 0 HB THR A 86 -2.906 -6.360 -4.324 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.235 -7.896 -6.081 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.522 -5.875 -6.121 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.720 -4.396 -5.541 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.224 -5.131 -7.084 1.00 0.00 H new ATOM 1392 N LEU A 87 -0.972 -3.047 -5.155 1.00 0.00 N ATOM 1393 CA LEU A 87 -1.038 -1.731 -4.543 1.00 0.00 C ATOM 1394 C LEU A 87 -2.351 -1.038 -4.876 1.00 0.00 C ATOM 1395 O LEU A 87 -2.647 -0.761 -6.042 1.00 0.00 O ATOM 1396 CB LEU A 87 0.141 -0.868 -4.995 1.00 0.00 C ATOM 1397 CG LEU A 87 1.508 -1.340 -4.503 1.00 0.00 C ATOM 1398 CD1 LEU A 87 2.605 -0.423 -5.018 1.00 0.00 C ATOM 1399 CD2 LEU A 87 1.527 -1.398 -2.983 1.00 0.00 C ATOM 0 H LEU A 87 -0.619 -3.050 -6.112 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.984 -1.863 -3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.154 -0.837 -6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.021 0.153 -4.649 1.00 0.00 H new ATOM 0 HG LEU A 87 1.692 -2.342 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.572 -0.774 -4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.601 -0.427 -6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.430 0.591 -4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.506 -1.736 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.325 -0.406 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.763 -2.094 -2.636 1.00 0.00 H new ATOM 1411 N LEU A 88 -3.139 -0.782 -3.844 1.00 0.00 N ATOM 1412 CA LEU A 88 -4.389 -0.059 -3.996 1.00 0.00 C ATOM 1413 C LEU A 88 -4.236 1.356 -3.465 1.00 0.00 C ATOM 1414 O LEU A 88 -3.789 1.564 -2.336 1.00 0.00 O ATOM 1415 CB LEU A 88 -5.524 -0.777 -3.267 1.00 0.00 C ATOM 1416 CG LEU A 88 -5.831 -2.190 -3.773 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -7.006 -2.782 -3.014 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -6.117 -2.178 -5.267 1.00 0.00 C ATOM 0 H LEU A 88 -2.932 -1.067 -2.887 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.638 -0.018 -5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.276 -0.833 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.428 -0.174 -3.351 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.954 -2.813 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.211 -3.786 -3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.766 -2.830 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.886 -2.155 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.332 -3.192 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.977 -1.539 -5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.247 -1.795 -5.801 1.00 0.00 H new ATOM 1430 N PHE A 89 -4.595 2.322 -4.286 1.00 0.00 N ATOM 1431 CA PHE A 89 -4.444 3.721 -3.928 1.00 0.00 C ATOM 1432 C PHE A 89 -5.804 4.350 -3.676 1.00 0.00 C ATOM 1433 O PHE A 89 -6.573 4.595 -4.608 1.00 0.00 O ATOM 1434 CB PHE A 89 -3.688 4.465 -5.032 1.00 0.00 C ATOM 1435 CG PHE A 89 -2.262 4.013 -5.176 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -1.932 2.972 -6.031 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -1.252 4.619 -4.445 1.00 0.00 C ATOM 1438 CE1 PHE A 89 -0.623 2.546 -6.155 1.00 0.00 C ATOM 1439 CE2 PHE A 89 0.060 4.197 -4.567 1.00 0.00 C ATOM 1440 CZ PHE A 89 0.374 3.160 -5.421 1.00 0.00 C ATOM 0 H PHE A 89 -4.996 2.164 -5.211 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.864 3.794 -3.008 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.206 4.321 -5.980 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.705 5.534 -4.819 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.707 2.488 -6.607 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.492 5.430 -3.773 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.380 1.734 -6.825 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.838 4.679 -3.994 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.397 2.829 -5.516 1.00 0.00 H new ATOM 1450 N ILE A 90 -6.099 4.597 -2.407 1.00 0.00 N ATOM 1451 CA ILE A 90 -7.401 5.110 -2.002 1.00 0.00 C ATOM 1452 C ILE A 90 -7.274 6.524 -1.440 1.00 0.00 C ATOM 1453 O ILE A 90 -6.578 6.746 -0.452 1.00 0.00 O ATOM 1454 CB ILE A 90 -8.048 4.198 -0.932 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -8.153 2.753 -1.436 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -9.422 4.723 -0.540 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -9.044 2.591 -2.652 1.00 0.00 C ATOM 0 H ILE A 90 -5.449 4.449 -1.635 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.035 5.127 -2.888 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.408 4.207 -0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.154 2.389 -1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.535 2.125 -0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.860 4.068 0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.324 5.730 -0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -10.066 4.748 -1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -9.068 1.542 -2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -10.054 2.923 -2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.652 3.191 -3.473 1.00 0.00 H new ATOM 1469 N ASN A 91 -7.930 7.481 -2.081 1.00 0.00 N ATOM 1470 CA ASN A 91 -7.936 8.851 -1.590 1.00 0.00 C ATOM 1471 C ASN A 91 -9.156 9.077 -0.702 1.00 0.00 C ATOM 1472 O ASN A 91 -9.903 8.137 -0.424 1.00 0.00 O ATOM 1473 CB ASN A 91 -7.915 9.856 -2.752 1.00 0.00 C ATOM 1474 CG ASN A 91 -9.233 9.970 -3.491 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -10.069 10.804 -3.156 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -9.421 9.141 -4.507 1.00 0.00 N ATOM 0 H ASN A 91 -8.463 7.335 -2.938 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.034 9.012 -1.000 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -7.641 10.838 -2.365 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.138 9.563 -3.458 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -10.287 9.181 -5.044 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.700 8.463 -4.752 1.00 0.00 H new ATOM 1483 N SER A 92 -9.365 10.320 -0.275 1.00 0.00 N ATOM 1484 CA SER A 92 -10.456 10.665 0.631 1.00 0.00 C ATOM 1485 C SER A 92 -11.821 10.250 0.079 1.00 0.00 C ATOM 1486 O SER A 92 -12.750 9.981 0.841 1.00 0.00 O ATOM 1487 CB SER A 92 -10.439 12.168 0.901 1.00 0.00 C ATOM 1488 OG SER A 92 -10.307 12.896 -0.311 1.00 0.00 O ATOM 0 H SER A 92 -8.785 11.114 -0.547 1.00 0.00 H new ATOM 0 HA SER A 92 -10.302 10.115 1.559 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.358 12.461 1.409 1.00 0.00 H new ATOM 0 HB3 SER A 92 -9.614 12.413 1.569 1.00 0.00 H new ATOM 0 HG SER A 92 -10.300 13.856 -0.117 1.00 0.00 H new ATOM 1494 N SER A 93 -11.938 10.191 -1.241 1.00 0.00 N ATOM 1495 CA SER A 93 -13.190 9.818 -1.877 1.00 0.00 C ATOM 1496 C SER A 93 -13.562 8.363 -1.587 1.00 0.00 C ATOM 1497 O SER A 93 -14.741 8.005 -1.575 1.00 0.00 O ATOM 1498 CB SER A 93 -13.106 10.039 -3.387 1.00 0.00 C ATOM 1499 OG SER A 93 -12.822 11.394 -3.691 1.00 0.00 O ATOM 0 H SER A 93 -11.179 10.397 -1.891 1.00 0.00 H new ATOM 0 HA SER A 93 -13.970 10.455 -1.459 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.331 9.399 -3.808 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.048 9.749 -3.853 1.00 0.00 H new ATOM 0 HG SER A 93 -11.858 11.552 -3.611 1.00 0.00 H new ATOM 1505 N GLY A 94 -12.557 7.531 -1.345 1.00 0.00 N ATOM 1506 CA GLY A 94 -12.800 6.114 -1.143 1.00 0.00 C ATOM 1507 C GLY A 94 -12.721 5.340 -2.442 1.00 0.00 C ATOM 1508 O GLY A 94 -12.697 4.107 -2.449 1.00 0.00 O ATOM 0 H GLY A 94 -11.578 7.811 -1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.070 5.717 -0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.784 5.974 -0.696 1.00 0.00 H new ATOM 1512 N GLU A 95 -12.681 6.076 -3.544 1.00 0.00 N ATOM 1513 CA GLU A 95 -12.574 5.486 -4.866 1.00 0.00 C ATOM 1514 C GLU A 95 -11.109 5.295 -5.227 1.00 0.00 C ATOM 1515 O GLU A 95 -10.228 5.827 -4.551 1.00 0.00 O ATOM 1516 CB GLU A 95 -13.245 6.391 -5.900 1.00 0.00 C ATOM 1517 CG GLU A 95 -14.694 6.706 -5.581 1.00 0.00 C ATOM 1518 CD GLU A 95 -15.343 7.576 -6.633 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -15.256 8.818 -6.522 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -15.943 7.020 -7.577 1.00 0.00 O ATOM 0 H GLU A 95 -12.722 7.095 -3.544 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.074 4.518 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.686 7.324 -5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -13.193 5.913 -6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -15.253 5.775 -5.489 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.749 7.208 -4.615 1.00 0.00 H new ATOM 1527 N VAL A 96 -10.846 4.545 -6.288 1.00 0.00 N ATOM 1528 CA VAL A 96 -9.479 4.326 -6.740 1.00 0.00 C ATOM 1529 C VAL A 96 -9.079 5.342 -7.803 1.00 0.00 C ATOM 1530 O VAL A 96 -9.760 5.502 -8.818 1.00 0.00 O ATOM 1531 CB VAL A 96 -9.271 2.893 -7.286 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -9.374 1.880 -6.162 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -10.272 2.565 -8.386 1.00 0.00 C ATOM 0 H VAL A 96 -11.558 4.079 -6.850 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.840 4.455 -5.867 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.272 2.843 -7.718 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -9.226 0.877 -6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.610 2.089 -5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.360 1.945 -5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.097 1.551 -8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.285 2.640 -7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.151 3.269 -9.209 1.00 0.00 H new ATOM 1543 N VAL A 97 -7.989 6.055 -7.551 1.00 0.00 N ATOM 1544 CA VAL A 97 -7.439 6.973 -8.534 1.00 0.00 C ATOM 1545 C VAL A 97 -6.740 6.181 -9.643 1.00 0.00 C ATOM 1546 O VAL A 97 -6.911 6.469 -10.828 1.00 0.00 O ATOM 1547 CB VAL A 97 -6.475 8.001 -7.884 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -5.413 7.311 -7.038 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -5.828 8.884 -8.939 1.00 0.00 C ATOM 0 H VAL A 97 -7.470 6.014 -6.674 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.259 7.544 -8.970 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.069 8.634 -7.224 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.755 8.060 -6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -5.895 6.740 -6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.828 6.638 -7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.157 9.595 -8.457 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.261 8.265 -9.634 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.601 9.426 -9.484 1.00 0.00 H new ATOM 1559 N TYR A 98 -5.981 5.168 -9.242 1.00 0.00 N ATOM 1560 CA TYR A 98 -5.383 4.225 -10.176 1.00 0.00 C ATOM 1561 C TYR A 98 -4.977 2.968 -9.416 1.00 0.00 C ATOM 1562 O TYR A 98 -4.931 2.981 -8.185 1.00 0.00 O ATOM 1563 CB TYR A 98 -4.175 4.842 -10.902 1.00 0.00 C ATOM 1564 CG TYR A 98 -2.927 4.998 -10.058 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -2.824 5.995 -9.098 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -1.840 4.150 -10.241 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -1.675 6.143 -8.344 1.00 0.00 C ATOM 1568 CE2 TYR A 98 -0.692 4.290 -9.490 1.00 0.00 C ATOM 1569 CZ TYR A 98 -0.614 5.286 -8.545 1.00 0.00 C ATOM 1570 OH TYR A 98 0.532 5.431 -7.803 1.00 0.00 O ATOM 0 H TYR A 98 -5.764 4.979 -8.264 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.116 3.969 -10.941 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.935 4.222 -11.766 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -4.462 5.822 -11.283 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.655 6.666 -8.938 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.896 3.368 -10.984 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.609 6.925 -7.602 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.142 3.621 -9.643 1.00 0.00 H new ATOM 0 HH TYR A 98 0.513 4.808 -7.047 1.00 0.00 H new ATOM 1580 N ARG A 99 -4.699 1.891 -10.133 1.00 0.00 N ATOM 1581 CA ARG A 99 -4.318 0.634 -9.499 1.00 0.00 C ATOM 1582 C ARG A 99 -2.985 0.150 -10.056 1.00 0.00 C ATOM 1583 O ARG A 99 -2.723 0.278 -11.253 1.00 0.00 O ATOM 1584 CB ARG A 99 -5.410 -0.432 -9.692 1.00 0.00 C ATOM 1585 CG ARG A 99 -5.741 -0.739 -11.147 1.00 0.00 C ATOM 1586 CD ARG A 99 -6.816 -1.810 -11.251 1.00 0.00 C ATOM 1587 NE ARG A 99 -7.140 -2.138 -12.639 1.00 0.00 N ATOM 1588 CZ ARG A 99 -7.620 -3.319 -13.034 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -7.870 -4.274 -12.144 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -7.875 -3.540 -14.315 1.00 0.00 N ATOM 0 H ARG A 99 -4.729 1.859 -11.152 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.207 0.806 -8.428 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.092 -1.353 -9.203 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.318 -0.100 -9.188 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.079 0.169 -11.645 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.841 -1.071 -11.665 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -6.480 -2.710 -10.736 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -7.717 -1.468 -10.741 1.00 0.00 H new ATOM 0 HE ARG A 99 -6.990 -1.420 -13.348 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.695 -4.106 -11.153 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -8.237 -5.175 -12.452 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.705 -2.806 -15.003 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.242 -4.444 -14.613 1.00 0.00 H new ATOM 1604 N LEU A 100 -2.142 -0.392 -9.189 1.00 0.00 N ATOM 1605 CA LEU A 100 -0.813 -0.814 -9.595 1.00 0.00 C ATOM 1606 C LEU A 100 -0.572 -2.273 -9.227 1.00 0.00 C ATOM 1607 O LEU A 100 -0.738 -2.670 -8.073 1.00 0.00 O ATOM 1608 CB LEU A 100 0.245 0.080 -8.942 1.00 0.00 C ATOM 1609 CG LEU A 100 1.686 -0.186 -9.375 1.00 0.00 C ATOM 1610 CD1 LEU A 100 1.849 0.052 -10.867 1.00 0.00 C ATOM 1611 CD2 LEU A 100 2.644 0.690 -8.591 1.00 0.00 C ATOM 0 H LEU A 100 -2.355 -0.549 -8.204 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.737 -0.719 -10.678 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.004 1.120 -9.162 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.180 -0.040 -7.861 1.00 0.00 H new ATOM 0 HG LEU A 100 1.921 -1.230 -9.166 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.882 -0.143 -11.156 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.186 -0.617 -11.417 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.596 1.086 -11.100 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.666 0.488 -8.911 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.408 1.739 -8.770 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.548 0.473 -7.527 1.00 0.00 H new ATOM 1623 N VAL A 101 -0.196 -3.071 -10.218 1.00 0.00 N ATOM 1624 CA VAL A 101 0.109 -4.474 -9.996 1.00 0.00 C ATOM 1625 C VAL A 101 1.619 -4.691 -9.980 1.00 0.00 C ATOM 1626 O VAL A 101 2.282 -4.597 -11.016 1.00 0.00 O ATOM 1627 CB VAL A 101 -0.524 -5.373 -11.082 1.00 0.00 C ATOM 1628 CG1 VAL A 101 -0.218 -6.841 -10.817 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -2.026 -5.141 -11.160 1.00 0.00 C ATOM 0 H VAL A 101 -0.095 -2.767 -11.186 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.314 -4.750 -9.030 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.086 -5.105 -12.043 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.674 -7.454 -11.595 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.861 -6.994 -10.821 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.622 -7.127 -9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.454 -5.783 -11.930 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.481 -5.376 -10.198 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.221 -4.098 -11.408 1.00 0.00 H new ATOM 1639 N GLY A 102 2.163 -4.951 -8.799 1.00 0.00 N ATOM 1640 CA GLY A 102 3.586 -5.194 -8.673 1.00 0.00 C ATOM 1641 C GLY A 102 4.258 -4.187 -7.764 1.00 0.00 C ATOM 1642 O GLY A 102 3.834 -3.034 -7.683 1.00 0.00 O ATOM 0 H GLY A 102 1.642 -4.998 -7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.748 -6.199 -8.283 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.048 -5.156 -9.659 1.00 0.00 H new ATOM 1646 N ALA A 103 5.297 -4.626 -7.072 1.00 0.00 N ATOM 1647 CA ALA A 103 6.032 -3.756 -6.169 1.00 0.00 C ATOM 1648 C ALA A 103 7.510 -3.752 -6.527 1.00 0.00 C ATOM 1649 O ALA A 103 8.181 -4.780 -6.434 1.00 0.00 O ATOM 1650 CB ALA A 103 5.831 -4.195 -4.726 1.00 0.00 C ATOM 0 H ALA A 103 5.651 -5.582 -7.119 1.00 0.00 H new ATOM 0 HA ALA A 103 5.649 -2.741 -6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.388 -3.533 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.771 -4.150 -4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.190 -5.217 -4.603 1.00 0.00 H new ATOM 1656 N GLU A 104 8.000 -2.603 -6.956 1.00 0.00 N ATOM 1657 CA GLU A 104 9.395 -2.458 -7.338 1.00 0.00 C ATOM 1658 C GLU A 104 10.217 -1.904 -6.177 1.00 0.00 C ATOM 1659 O GLU A 104 9.703 -1.731 -5.071 1.00 0.00 O ATOM 1660 CB GLU A 104 9.505 -1.544 -8.560 1.00 0.00 C ATOM 1661 CG GLU A 104 8.848 -2.123 -9.804 1.00 0.00 C ATOM 1662 CD GLU A 104 8.793 -1.140 -10.954 1.00 0.00 C ATOM 1663 OE1 GLU A 104 9.808 -0.976 -11.663 1.00 0.00 O ATOM 1664 OE2 GLU A 104 7.719 -0.540 -11.171 1.00 0.00 O ATOM 0 H GLU A 104 7.448 -1.750 -7.049 1.00 0.00 H new ATOM 0 HA GLU A 104 9.794 -3.440 -7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.046 -0.583 -8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.558 -1.353 -8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.396 -3.011 -10.118 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.836 -2.444 -9.558 1.00 0.00 H new ATOM 1671 N ASP A 105 11.494 -1.640 -6.433 1.00 0.00 N ATOM 1672 CA ASP A 105 12.395 -1.114 -5.410 1.00 0.00 C ATOM 1673 C ASP A 105 11.969 0.280 -4.959 1.00 0.00 C ATOM 1674 O ASP A 105 11.171 0.938 -5.623 1.00 0.00 O ATOM 1675 CB ASP A 105 13.833 -1.083 -5.928 1.00 0.00 C ATOM 1676 CG ASP A 105 14.576 -2.383 -5.683 1.00 0.00 C ATOM 1677 OD1 ASP A 105 14.359 -3.360 -6.436 1.00 0.00 O ATOM 1678 OD2 ASP A 105 15.400 -2.425 -4.749 1.00 0.00 O ATOM 0 H ASP A 105 11.931 -1.782 -7.344 1.00 0.00 H new ATOM 0 HA ASP A 105 12.343 -1.779 -4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.824 -0.871 -6.997 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.370 -0.267 -5.445 1.00 0.00 H new ATOM 1683 N ALA A 106 12.540 0.735 -3.844 1.00 0.00 N ATOM 1684 CA ALA A 106 12.127 1.987 -3.201 1.00 0.00 C ATOM 1685 C ALA A 106 12.105 3.191 -4.163 1.00 0.00 C ATOM 1686 O ALA A 106 11.091 3.893 -4.230 1.00 0.00 O ATOM 1687 CB ALA A 106 13.008 2.275 -1.991 1.00 0.00 C ATOM 0 H ALA A 106 13.297 0.251 -3.362 1.00 0.00 H new ATOM 0 HA ALA A 106 11.097 1.845 -2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 106 12.691 3.207 -1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 106 12.918 1.460 -1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.046 2.365 -2.310 1.00 0.00 H new ATOM 1693 N PRO A 107 13.199 3.466 -4.917 1.00 0.00 N ATOM 1694 CA PRO A 107 13.231 4.603 -5.851 1.00 0.00 C ATOM 1695 C PRO A 107 12.125 4.529 -6.901 1.00 0.00 C ATOM 1696 O PRO A 107 11.446 5.524 -7.176 1.00 0.00 O ATOM 1697 CB PRO A 107 14.603 4.490 -6.522 1.00 0.00 C ATOM 1698 CG PRO A 107 15.427 3.685 -5.582 1.00 0.00 C ATOM 1699 CD PRO A 107 14.477 2.723 -4.929 1.00 0.00 C ATOM 0 HA PRO A 107 13.073 5.548 -5.332 1.00 0.00 H new ATOM 0 HB2 PRO A 107 14.527 4.005 -7.495 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.043 5.473 -6.689 1.00 0.00 H new ATOM 0 HG2 PRO A 107 16.219 3.155 -6.111 1.00 0.00 H new ATOM 0 HG3 PRO A 107 15.910 4.322 -4.841 1.00 0.00 H new ATOM 0 HD2 PRO A 107 14.397 1.793 -5.491 1.00 0.00 H new ATOM 0 HD3 PRO A 107 14.799 2.460 -3.922 1.00 0.00 H new ATOM 1707 N GLU A 108 11.943 3.344 -7.477 1.00 0.00 N ATOM 1708 CA GLU A 108 10.934 3.131 -8.501 1.00 0.00 C ATOM 1709 C GLU A 108 9.535 3.211 -7.908 1.00 0.00 C ATOM 1710 O GLU A 108 8.632 3.783 -8.514 1.00 0.00 O ATOM 1711 CB GLU A 108 11.147 1.775 -9.175 1.00 0.00 C ATOM 1712 CG GLU A 108 12.461 1.673 -9.935 1.00 0.00 C ATOM 1713 CD GLU A 108 12.579 2.710 -11.033 1.00 0.00 C ATOM 1714 OE1 GLU A 108 13.015 3.841 -10.741 1.00 0.00 O ATOM 1715 OE2 GLU A 108 12.230 2.403 -12.194 1.00 0.00 O ATOM 0 H GLU A 108 12.488 2.513 -7.247 1.00 0.00 H new ATOM 0 HA GLU A 108 11.032 3.918 -9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.114 0.992 -8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.323 1.587 -9.863 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.290 1.791 -9.238 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.549 0.677 -10.369 1.00 0.00 H new ATOM 1722 N LEU A 109 9.370 2.644 -6.716 1.00 0.00 N ATOM 1723 CA LEU A 109 8.096 2.674 -6.002 1.00 0.00 C ATOM 1724 C LEU A 109 7.583 4.102 -5.889 1.00 0.00 C ATOM 1725 O LEU A 109 6.470 4.414 -6.318 1.00 0.00 O ATOM 1726 CB LEU A 109 8.269 2.086 -4.599 1.00 0.00 C ATOM 1727 CG LEU A 109 6.987 1.973 -3.770 1.00 0.00 C ATOM 1728 CD1 LEU A 109 6.026 0.977 -4.397 1.00 0.00 C ATOM 1729 CD2 LEU A 109 7.315 1.578 -2.337 1.00 0.00 C ATOM 0 H LEU A 109 10.113 2.152 -6.219 1.00 0.00 H new ATOM 0 HA LEU A 109 7.374 2.079 -6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.710 1.093 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.982 2.702 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 109 6.500 2.948 -3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.122 0.913 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.766 1.306 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.500 -0.003 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.393 1.502 -1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.826 0.615 -2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.961 2.334 -1.890 1.00 0.00 H new ATOM 1741 N LEU A 110 8.420 4.962 -5.324 1.00 0.00 N ATOM 1742 CA LEU A 110 8.085 6.371 -5.143 1.00 0.00 C ATOM 1743 C LEU A 110 7.719 7.025 -6.475 1.00 0.00 C ATOM 1744 O LEU A 110 6.779 7.821 -6.555 1.00 0.00 O ATOM 1745 CB LEU A 110 9.260 7.113 -4.496 1.00 0.00 C ATOM 1746 CG LEU A 110 9.038 8.608 -4.260 1.00 0.00 C ATOM 1747 CD1 LEU A 110 7.820 8.838 -3.377 1.00 0.00 C ATOM 1748 CD2 LEU A 110 10.277 9.234 -3.638 1.00 0.00 C ATOM 0 H LEU A 110 9.345 4.706 -4.980 1.00 0.00 H new ATOM 0 HA LEU A 110 7.218 6.432 -4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 110 9.485 6.640 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.139 6.988 -5.128 1.00 0.00 H new ATOM 0 HG LEU A 110 8.854 9.086 -5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.680 9.908 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.936 8.423 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.970 8.348 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.105 10.298 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 110 10.489 8.751 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.127 9.102 -4.308 1.00 0.00 H new ATOM 1760 N LYS A 111 8.453 6.667 -7.521 1.00 0.00 N ATOM 1761 CA LYS A 111 8.202 7.207 -8.848 1.00 0.00 C ATOM 1762 C LYS A 111 6.838 6.757 -9.369 1.00 0.00 C ATOM 1763 O LYS A 111 6.090 7.557 -9.923 1.00 0.00 O ATOM 1764 CB LYS A 111 9.309 6.785 -9.820 1.00 0.00 C ATOM 1765 CG LYS A 111 9.097 7.286 -11.241 1.00 0.00 C ATOM 1766 CD LYS A 111 10.229 6.865 -12.166 1.00 0.00 C ATOM 1767 CE LYS A 111 10.401 5.354 -12.193 1.00 0.00 C ATOM 1768 NZ LYS A 111 11.464 4.933 -13.142 1.00 0.00 N ATOM 0 H LYS A 111 9.227 6.004 -7.474 1.00 0.00 H new ATOM 0 HA LYS A 111 8.199 8.295 -8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.265 7.157 -9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 111 9.374 5.697 -9.833 1.00 0.00 H new ATOM 0 HG2 LYS A 111 8.152 6.901 -11.625 1.00 0.00 H new ATOM 0 HG3 LYS A 111 9.019 8.373 -11.235 1.00 0.00 H new ATOM 0 HD2 LYS A 111 10.028 7.226 -13.175 1.00 0.00 H new ATOM 0 HD3 LYS A 111 11.158 7.331 -11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 111 10.647 4.999 -11.192 1.00 0.00 H new ATOM 0 HE3 LYS A 111 9.457 4.886 -12.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 11.655 3.918 -13.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 11.150 5.112 -14.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 12.332 5.474 -12.953 1.00 0.00 H new ATOM 1782 N LYS A 112 6.510 5.484 -9.168 1.00 0.00 N ATOM 1783 CA LYS A 112 5.252 4.927 -9.663 1.00 0.00 C ATOM 1784 C LYS A 112 4.052 5.557 -8.960 1.00 0.00 C ATOM 1785 O LYS A 112 2.955 5.629 -9.528 1.00 0.00 O ATOM 1786 CB LYS A 112 5.222 3.407 -9.481 1.00 0.00 C ATOM 1787 CG LYS A 112 6.327 2.683 -10.233 1.00 0.00 C ATOM 1788 CD LYS A 112 6.241 2.919 -11.734 1.00 0.00 C ATOM 1789 CE LYS A 112 5.124 2.108 -12.371 1.00 0.00 C ATOM 1790 NZ LYS A 112 5.389 0.648 -12.294 1.00 0.00 N ATOM 0 H LYS A 112 7.097 4.818 -8.666 1.00 0.00 H new ATOM 0 HA LYS A 112 5.188 5.158 -10.726 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.304 3.175 -8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.257 3.028 -9.817 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.297 3.021 -9.867 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.265 1.614 -10.029 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.075 3.979 -11.926 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.191 2.656 -12.198 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.181 2.333 -11.872 1.00 0.00 H new ATOM 0 HE3 LYS A 112 5.011 2.402 -13.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 5.070 0.191 -13.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.409 0.486 -12.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.874 0.244 -11.486 1.00 0.00 H new ATOM 1804 N VAL A 113 4.257 6.011 -7.729 1.00 0.00 N ATOM 1805 CA VAL A 113 3.200 6.685 -6.984 1.00 0.00 C ATOM 1806 C VAL A 113 2.928 8.065 -7.575 1.00 0.00 C ATOM 1807 O VAL A 113 1.794 8.385 -7.939 1.00 0.00 O ATOM 1808 CB VAL A 113 3.555 6.827 -5.485 1.00 0.00 C ATOM 1809 CG1 VAL A 113 2.444 7.550 -4.734 1.00 0.00 C ATOM 1810 CG2 VAL A 113 3.816 5.461 -4.865 1.00 0.00 C ATOM 0 H VAL A 113 5.141 5.925 -7.227 1.00 0.00 H new ATOM 0 HA VAL A 113 2.305 6.069 -7.066 1.00 0.00 H new ATOM 0 HB VAL A 113 4.465 7.422 -5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.714 7.639 -3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.305 8.544 -5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.516 6.985 -4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.064 5.581 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.924 4.842 -4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 113 4.647 4.980 -5.381 1.00 0.00 H new ATOM 1820 N LYS A 114 3.979 8.862 -7.717 1.00 0.00 N ATOM 1821 CA LYS A 114 3.844 10.214 -8.249 1.00 0.00 C ATOM 1822 C LYS A 114 3.412 10.197 -9.710 1.00 0.00 C ATOM 1823 O LYS A 114 2.516 10.937 -10.107 1.00 0.00 O ATOM 1824 CB LYS A 114 5.156 10.984 -8.107 1.00 0.00 C ATOM 1825 CG LYS A 114 5.485 11.381 -6.679 1.00 0.00 C ATOM 1826 CD LYS A 114 6.765 12.193 -6.627 1.00 0.00 C ATOM 1827 CE LYS A 114 7.032 12.744 -5.237 1.00 0.00 C ATOM 1828 NZ LYS A 114 8.285 13.540 -5.202 1.00 0.00 N ATOM 0 H LYS A 114 4.933 8.597 -7.472 1.00 0.00 H new ATOM 0 HA LYS A 114 3.071 10.716 -7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.969 10.373 -8.500 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.107 11.883 -8.721 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.663 11.962 -6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.590 10.488 -6.064 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.603 11.569 -6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 114 6.701 13.017 -7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.194 13.367 -4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.101 11.922 -4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 8.439 13.902 -4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 9.087 12.938 -5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 8.208 14.338 -5.864 1.00 0.00 H new ATOM 1842 N LEU A 115 4.042 9.335 -10.497 1.00 0.00 N ATOM 1843 CA LEU A 115 3.763 9.239 -11.926 1.00 0.00 C ATOM 1844 C LEU A 115 2.356 8.703 -12.175 1.00 0.00 C ATOM 1845 O LEU A 115 1.783 8.899 -13.247 1.00 0.00 O ATOM 1846 CB LEU A 115 4.794 8.323 -12.590 1.00 0.00 C ATOM 1847 CG LEU A 115 4.772 8.298 -14.119 1.00 0.00 C ATOM 1848 CD1 LEU A 115 5.159 9.658 -14.679 1.00 0.00 C ATOM 1849 CD2 LEU A 115 5.706 7.217 -14.645 1.00 0.00 C ATOM 0 H LEU A 115 4.756 8.686 -10.167 1.00 0.00 H new ATOM 0 HA LEU A 115 3.828 10.238 -12.358 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.788 8.629 -12.264 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.638 7.307 -12.226 1.00 0.00 H new ATOM 0 HG LEU A 115 3.759 8.068 -14.448 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.138 9.622 -15.768 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.453 10.411 -14.327 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.163 9.917 -14.344 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.679 7.212 -15.735 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.723 7.419 -14.308 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.386 6.245 -14.270 1.00 0.00 H new ATOM 1861 N GLY A 116 1.804 8.035 -11.174 1.00 0.00 N ATOM 1862 CA GLY A 116 0.497 7.430 -11.317 1.00 0.00 C ATOM 1863 C GLY A 116 -0.635 8.359 -10.927 1.00 0.00 C ATOM 1864 O GLY A 116 -1.670 8.390 -11.594 1.00 0.00 O ATOM 0 H GLY A 116 2.240 7.901 -10.262 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.360 7.115 -12.352 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.450 6.532 -10.702 1.00 0.00 H new ATOM 1868 N VAL A 117 -0.449 9.115 -9.848 1.00 0.00 N ATOM 1869 CA VAL A 117 -1.506 9.992 -9.345 1.00 0.00 C ATOM 1870 C VAL A 117 -1.819 11.125 -10.321 1.00 0.00 C ATOM 1871 O VAL A 117 -2.975 11.528 -10.455 1.00 0.00 O ATOM 1872 CB VAL A 117 -1.176 10.575 -7.951 1.00 0.00 C ATOM 1873 CG1 VAL A 117 -1.162 9.474 -6.904 1.00 0.00 C ATOM 1874 CG2 VAL A 117 0.153 11.313 -7.964 1.00 0.00 C ATOM 0 H VAL A 117 0.416 9.139 -9.308 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.391 9.364 -9.246 1.00 0.00 H new ATOM 0 HB VAL A 117 -1.956 11.292 -7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.928 9.902 -5.929 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.141 8.996 -6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.407 8.733 -7.166 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.358 11.712 -6.970 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.949 10.625 -8.250 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.107 12.133 -8.681 1.00 0.00 H new ATOM 1884 N GLU A 118 -0.798 11.634 -10.998 1.00 0.00 N ATOM 1885 CA GLU A 118 -1.002 12.642 -12.016 1.00 0.00 C ATOM 1886 C GLU A 118 -0.948 12.001 -13.395 1.00 0.00 C ATOM 1887 O GLU A 118 -0.390 10.916 -13.561 1.00 0.00 O ATOM 1888 CB GLU A 118 0.033 13.754 -11.894 1.00 0.00 C ATOM 1889 CG GLU A 118 1.461 13.260 -11.880 1.00 0.00 C ATOM 1890 CD GLU A 118 2.458 14.375 -11.652 1.00 0.00 C ATOM 1891 OE1 GLU A 118 2.756 14.685 -10.481 1.00 0.00 O ATOM 1892 OE2 GLU A 118 2.946 14.952 -12.643 1.00 0.00 O ATOM 0 H GLU A 118 0.175 11.363 -10.857 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.986 13.089 -11.875 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -0.093 14.448 -12.725 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.156 14.315 -10.979 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.575 12.510 -11.098 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.681 12.768 -12.828 1.00 0.00 H new ATOM 1899 N SER A 119 -1.519 12.669 -14.379 1.00 0.00 N ATOM 1900 CA SER A 119 -1.627 12.102 -15.711 1.00 0.00 C ATOM 1901 C SER A 119 -0.658 12.761 -16.686 1.00 0.00 C ATOM 1902 O SER A 119 -0.675 12.456 -17.880 1.00 0.00 O ATOM 1903 CB SER A 119 -3.069 12.242 -16.201 1.00 0.00 C ATOM 1904 OG SER A 119 -3.595 13.522 -15.875 1.00 0.00 O ATOM 0 H SER A 119 -1.915 13.604 -14.282 1.00 0.00 H new ATOM 0 HA SER A 119 -1.358 11.047 -15.662 1.00 0.00 H new ATOM 0 HB2 SER A 119 -3.106 12.093 -17.280 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.687 11.465 -15.751 1.00 0.00 H new ATOM 0 HG SER A 119 -4.517 13.589 -16.200 1.00 0.00 H new ATOM 1910 N GLU A 120 0.200 13.640 -16.163 1.00 0.00 N ATOM 1911 CA GLU A 120 1.146 14.402 -16.979 1.00 0.00 C ATOM 1912 C GLU A 120 0.388 15.368 -17.886 1.00 0.00 C ATOM 1913 O GLU A 120 -0.064 15.007 -18.976 1.00 0.00 O ATOM 1914 CB GLU A 120 2.052 13.472 -17.800 1.00 0.00 C ATOM 1915 CG GLU A 120 3.054 14.197 -18.689 1.00 0.00 C ATOM 1916 CD GLU A 120 4.029 15.057 -17.907 1.00 0.00 C ATOM 1917 OE1 GLU A 120 3.699 16.224 -17.617 1.00 0.00 O ATOM 1918 OE2 GLU A 120 5.131 14.571 -17.578 1.00 0.00 O ATOM 0 H GLU A 120 0.258 13.843 -15.165 1.00 0.00 H new ATOM 0 HA GLU A 120 1.790 14.977 -16.314 1.00 0.00 H new ATOM 0 HB2 GLU A 120 2.596 12.819 -17.118 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.427 12.833 -18.423 1.00 0.00 H new ATOM 0 HG2 GLU A 120 3.612 13.463 -19.271 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.514 14.824 -19.399 1.00 0.00 H new ATOM 1925 N GLY A 121 0.231 16.593 -17.411 1.00 0.00 N ATOM 1926 CA GLY A 121 -0.536 17.576 -18.136 1.00 0.00 C ATOM 1927 C GLY A 121 -1.893 17.788 -17.502 1.00 0.00 C ATOM 1928 O GLY A 121 -2.400 16.848 -16.856 1.00 0.00 O ATOM 0 H GLY A 121 0.625 16.923 -16.530 1.00 0.00 H new ATOM 0 HA2 GLY A 121 0.008 18.520 -18.160 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -0.661 17.253 -19.170 1.00 0.00 H new TER 1932 GLY A 121