USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 624 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 20 GLN : amide:sc= -5.48! C(o=-36!,f=-35!) USER MOD Set 1.2: A 21 ASN : amide:sc= -12.8! C(o=-36!,f=-37!) USER MOD Set 1.3: B 20 GLN : amide:sc= -2.85! C(o=-36!,f=-35!) USER MOD Set 1.4: B 21 ASN : amide:sc= -14.7! C(o=-36!,f=-36!) USER MOD Single : A 1 GLY N :NH3+ 148:sc= 0.0139 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -89:sc= -0.511! USER MOD Single : A 13 LYS NZ :NH3+ 162:sc= 0.042 (180deg=-0.0192) USER MOD Single : A 16 SER OG : rot 94:sc= 0.77 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.0903 X(o=-0.09,f=-0.0093) USER MOD Single : A 26 ASN : amide:sc= -0.897 X(o=-0.9,f=-0.77) USER MOD Single : A 32 LYS NZ :NH3+ -115:sc= -0.0274 (180deg=-0.314) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -118:sc= 0.106 (180deg=0) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 6 SER OG : rot 85:sc= -0.415! USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= -0.863 K(o=-0.86,f=0) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 23 HIS : no HD1:sc= -1 K(o=-1,f=-0.23) USER MOD Single : B 26 ASN : amide:sc= -1.54! X(o=-1.5!,f=-1.5) USER MOD Single : B 32 LYS NZ :NH3+ -166:sc=-0.000921 (180deg=-0.115) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.769 -14.886 -17.872 1.00 0.00 N ATOM 2 CA GLY A 1 20.975 -14.854 -16.657 1.00 0.00 C ATOM 3 C GLY A 1 19.496 -15.105 -16.960 1.00 0.00 C ATOM 4 O GLY A 1 18.976 -14.629 -17.968 1.00 0.00 O ATOM 0 H1 GLY A 1 22.571 -14.230 -17.780 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.127 -15.850 -18.028 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.179 -14.601 -18.680 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.340 -15.608 -15.960 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.090 -13.886 -16.169 1.00 0.00 H new ATOM 8 N ALA A 2 18.861 -15.853 -16.070 1.00 0.00 N ATOM 9 CA ALA A 2 17.453 -16.173 -16.231 1.00 0.00 C ATOM 10 C ALA A 2 16.789 -16.240 -14.854 1.00 0.00 C ATOM 11 O ALA A 2 16.645 -17.318 -14.281 1.00 0.00 O ATOM 12 CB ALA A 2 17.312 -17.483 -17.009 1.00 0.00 C ATOM 0 H ALA A 2 19.295 -16.247 -15.235 1.00 0.00 H new ATOM 0 HA ALA A 2 16.947 -15.397 -16.805 1.00 0.00 H new ATOM 0 HB1 ALA A 2 16.256 -17.723 -17.130 1.00 0.00 H new ATOM 0 HB2 ALA A 2 17.774 -17.375 -17.990 1.00 0.00 H new ATOM 0 HB3 ALA A 2 17.806 -18.286 -16.462 1.00 0.00 H new ATOM 18 N GLY A 3 16.402 -15.071 -14.362 1.00 0.00 N ATOM 19 CA GLY A 3 15.756 -14.984 -13.063 1.00 0.00 C ATOM 20 C GLY A 3 14.531 -14.070 -13.120 1.00 0.00 C ATOM 21 O GLY A 3 14.494 -13.032 -12.460 1.00 0.00 O ATOM 0 H GLY A 3 16.523 -14.178 -14.839 1.00 0.00 H new ATOM 0 HA2 GLY A 3 15.457 -15.979 -12.734 1.00 0.00 H new ATOM 0 HA3 GLY A 3 16.463 -14.604 -12.326 1.00 0.00 H new ATOM 25 N SER A 4 13.558 -14.487 -13.917 1.00 0.00 N ATOM 26 CA SER A 4 12.335 -13.719 -14.070 1.00 0.00 C ATOM 27 C SER A 4 11.132 -14.557 -13.628 1.00 0.00 C ATOM 28 O SER A 4 11.106 -15.769 -13.837 1.00 0.00 O ATOM 29 CB SER A 4 12.154 -13.252 -15.515 1.00 0.00 C ATOM 30 OG SER A 4 11.602 -14.273 -16.341 1.00 0.00 O ATOM 0 H SER A 4 13.592 -15.347 -14.464 1.00 0.00 H new ATOM 0 HA SER A 4 12.406 -12.834 -13.438 1.00 0.00 H new ATOM 0 HB2 SER A 4 11.503 -12.378 -15.535 1.00 0.00 H new ATOM 0 HB3 SER A 4 13.117 -12.941 -15.919 1.00 0.00 H new ATOM 0 HG SER A 4 11.500 -13.935 -17.255 1.00 0.00 H new ATOM 36 N SER A 5 10.167 -13.878 -13.027 1.00 0.00 N ATOM 37 CA SER A 5 8.966 -14.544 -12.554 1.00 0.00 C ATOM 38 C SER A 5 7.760 -14.101 -13.386 1.00 0.00 C ATOM 39 O SER A 5 7.026 -14.934 -13.915 1.00 0.00 O ATOM 40 CB SER A 5 8.722 -14.256 -11.072 1.00 0.00 C ATOM 41 OG SER A 5 9.531 -15.074 -10.229 1.00 0.00 O ATOM 0 H SER A 5 10.192 -12.873 -12.857 1.00 0.00 H new ATOM 0 HA SER A 5 9.104 -15.619 -12.669 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.931 -13.206 -10.867 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.670 -14.423 -10.838 1.00 0.00 H new ATOM 0 HG SER A 5 9.347 -14.859 -9.291 1.00 0.00 H new ATOM 47 N SER A 6 7.593 -12.790 -13.474 1.00 0.00 N ATOM 48 CA SER A 6 6.488 -12.225 -14.232 1.00 0.00 C ATOM 49 C SER A 6 6.423 -10.713 -14.014 1.00 0.00 C ATOM 50 O SER A 6 6.215 -10.252 -12.894 1.00 0.00 O ATOM 51 CB SER A 6 5.162 -12.877 -13.839 1.00 0.00 C ATOM 52 OG SER A 6 5.306 -13.754 -12.726 1.00 0.00 O ATOM 0 H SER A 6 8.204 -12.102 -13.033 1.00 0.00 H new ATOM 0 HA SER A 6 6.660 -12.425 -15.290 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.435 -12.102 -13.598 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.766 -13.432 -14.689 1.00 0.00 H new ATOM 0 HG SER A 6 5.532 -14.653 -13.045 1.00 0.00 H new ATOM 58 N LEU A 7 6.604 -9.981 -15.104 1.00 0.00 N ATOM 59 CA LEU A 7 6.568 -8.530 -15.046 1.00 0.00 C ATOM 60 C LEU A 7 5.113 -8.058 -15.090 1.00 0.00 C ATOM 61 O LEU A 7 4.793 -6.977 -14.598 1.00 0.00 O ATOM 62 CB LEU A 7 7.444 -7.928 -16.147 1.00 0.00 C ATOM 63 CG LEU A 7 8.147 -8.927 -17.066 1.00 0.00 C ATOM 64 CD1 LEU A 7 8.969 -9.933 -16.256 1.00 0.00 C ATOM 65 CD2 LEU A 7 7.146 -9.620 -17.993 1.00 0.00 C ATOM 0 H LEU A 7 6.776 -10.366 -16.033 1.00 0.00 H new ATOM 0 HA LEU A 7 6.990 -8.176 -14.106 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.824 -7.275 -16.761 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.202 -7.300 -15.678 1.00 0.00 H new ATOM 0 HG LEU A 7 8.843 -8.376 -17.699 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.459 -10.632 -16.934 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.723 -9.402 -15.675 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.311 -10.482 -15.582 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.673 -10.325 -18.636 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.408 -10.155 -17.396 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.643 -8.874 -18.609 1.00 0.00 H new ATOM 77 N GLU A 8 4.271 -8.892 -15.682 1.00 0.00 N ATOM 78 CA GLU A 8 2.859 -8.574 -15.797 1.00 0.00 C ATOM 79 C GLU A 8 2.177 -8.690 -14.432 1.00 0.00 C ATOM 80 O GLU A 8 1.359 -7.847 -14.068 1.00 0.00 O ATOM 81 CB GLU A 8 2.176 -9.472 -16.829 1.00 0.00 C ATOM 82 CG GLU A 8 2.730 -10.897 -16.768 1.00 0.00 C ATOM 83 CD GLU A 8 1.711 -11.905 -17.305 1.00 0.00 C ATOM 84 OE1 GLU A 8 0.651 -12.100 -16.693 1.00 0.00 O ATOM 85 OE2 GLU A 8 2.053 -12.495 -18.401 1.00 0.00 O ATOM 0 H GLU A 8 4.540 -9.788 -16.087 1.00 0.00 H new ATOM 0 HA GLU A 8 2.765 -7.545 -16.143 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.101 -9.488 -16.648 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.325 -9.062 -17.828 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.649 -10.959 -17.350 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.987 -11.147 -15.739 1.00 0.00 H new ATOM 93 N ALA A 9 2.537 -9.743 -13.713 1.00 0.00 N ATOM 94 CA ALA A 9 1.971 -9.981 -12.396 1.00 0.00 C ATOM 95 C ALA A 9 2.563 -8.980 -11.403 1.00 0.00 C ATOM 96 O ALA A 9 1.841 -8.408 -10.588 1.00 0.00 O ATOM 97 CB ALA A 9 2.227 -11.433 -11.985 1.00 0.00 C ATOM 0 H ALA A 9 3.215 -10.442 -14.018 1.00 0.00 H new ATOM 0 HA ALA A 9 0.891 -9.832 -12.409 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.803 -11.612 -10.997 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.761 -12.103 -12.707 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.301 -11.620 -11.958 1.00 0.00 H new ATOM 103 N VAL A 10 3.872 -8.800 -11.502 1.00 0.00 N ATOM 104 CA VAL A 10 4.570 -7.878 -10.622 1.00 0.00 C ATOM 105 C VAL A 10 4.127 -6.448 -10.935 1.00 0.00 C ATOM 106 O VAL A 10 3.956 -5.634 -10.029 1.00 0.00 O ATOM 107 CB VAL A 10 6.081 -8.078 -10.747 1.00 0.00 C ATOM 108 CG1 VAL A 10 6.662 -7.189 -11.848 1.00 0.00 C ATOM 109 CG2 VAL A 10 6.781 -7.822 -9.410 1.00 0.00 C ATOM 0 H VAL A 10 4.468 -9.277 -12.179 1.00 0.00 H new ATOM 0 HA VAL A 10 4.315 -8.076 -9.581 1.00 0.00 H new ATOM 0 HB VAL A 10 6.259 -9.117 -11.025 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.738 -7.350 -11.916 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.196 -7.439 -12.801 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.466 -6.143 -11.612 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.854 -7.971 -9.527 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.590 -6.798 -9.089 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.398 -8.514 -8.660 1.00 0.00 H new ATOM 119 N ARG A 11 3.955 -6.184 -12.222 1.00 0.00 N ATOM 120 CA ARG A 11 3.537 -4.865 -12.666 1.00 0.00 C ATOM 121 C ARG A 11 2.114 -4.570 -12.187 1.00 0.00 C ATOM 122 O ARG A 11 1.791 -3.432 -11.851 1.00 0.00 O ATOM 123 CB ARG A 11 3.586 -4.756 -14.192 1.00 0.00 C ATOM 124 CG ARG A 11 2.975 -3.437 -14.667 1.00 0.00 C ATOM 125 CD ARG A 11 2.733 -3.458 -16.179 1.00 0.00 C ATOM 126 NE ARG A 11 2.493 -2.084 -16.672 1.00 0.00 N ATOM 127 CZ ARG A 11 3.472 -1.225 -17.027 1.00 0.00 C ATOM 128 NH1 ARG A 11 4.769 -1.593 -16.947 1.00 0.00 N ATOM 129 NH2 ARG A 11 3.144 -0.020 -17.454 1.00 0.00 N ATOM 0 H ARG A 11 4.098 -6.861 -12.971 1.00 0.00 H new ATOM 0 HA ARG A 11 4.227 -4.137 -12.238 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.619 -4.826 -14.532 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.047 -5.592 -14.637 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.034 -3.260 -14.147 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.640 -2.612 -14.413 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.595 -3.890 -16.688 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.876 -4.091 -16.410 1.00 0.00 H new ATOM 0 HE ARG A 11 1.527 -1.766 -16.748 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.015 -2.526 -16.616 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.503 -0.938 -17.217 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.162 0.251 -17.512 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.872 0.640 -17.726 1.00 0.00 H new ATOM 142 N ARG A 12 1.300 -5.616 -12.172 1.00 0.00 N ATOM 143 CA ARG A 12 -0.081 -5.484 -11.739 1.00 0.00 C ATOM 144 C ARG A 12 -0.155 -5.423 -10.212 1.00 0.00 C ATOM 145 O ARG A 12 -1.091 -4.852 -9.654 1.00 0.00 O ATOM 146 CB ARG A 12 -0.928 -6.656 -12.237 1.00 0.00 C ATOM 147 CG ARG A 12 -2.408 -6.437 -11.916 1.00 0.00 C ATOM 148 CD ARG A 12 -3.009 -7.669 -11.235 1.00 0.00 C ATOM 149 NE ARG A 12 -3.837 -8.427 -12.200 1.00 0.00 N ATOM 150 CZ ARG A 12 -4.748 -9.359 -11.848 1.00 0.00 C ATOM 151 NH1 ARG A 12 -4.956 -9.656 -10.547 1.00 0.00 N ATOM 152 NH2 ARG A 12 -5.431 -9.976 -12.794 1.00 0.00 N ATOM 0 H ARG A 12 1.571 -6.559 -12.453 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.475 -4.560 -12.162 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.799 -6.772 -13.313 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.584 -7.581 -11.773 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.518 -5.568 -11.267 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.955 -6.221 -12.834 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.213 -8.305 -10.848 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.616 -7.364 -10.383 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.711 -8.233 -13.193 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.423 -9.175 -9.823 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.646 -10.361 -10.289 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.267 -9.746 -13.774 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.123 -10.683 -12.545 1.00 0.00 H new ATOM 165 N LYS A 13 0.845 -6.017 -9.578 1.00 0.00 N ATOM 166 CA LYS A 13 0.905 -6.038 -8.126 1.00 0.00 C ATOM 167 C LYS A 13 1.427 -4.691 -7.623 1.00 0.00 C ATOM 168 O LYS A 13 0.942 -4.168 -6.621 1.00 0.00 O ATOM 169 CB LYS A 13 1.724 -7.235 -7.641 1.00 0.00 C ATOM 170 CG LYS A 13 1.046 -7.918 -6.452 1.00 0.00 C ATOM 171 CD LYS A 13 1.514 -9.367 -6.311 1.00 0.00 C ATOM 172 CE LYS A 13 0.759 -10.284 -7.275 1.00 0.00 C ATOM 173 NZ LYS A 13 1.674 -10.813 -8.311 1.00 0.00 N ATOM 0 H LYS A 13 1.621 -6.488 -10.043 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.091 -6.172 -7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.846 -7.950 -8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.722 -6.905 -7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.270 -7.369 -5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.036 -7.893 -6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.584 -9.428 -6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.359 -9.705 -5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.309 -11.109 -6.724 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.055 -9.734 -7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.245 -11.647 -8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.844 -10.081 -9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.577 -11.083 -7.871 1.00 0.00 H new ATOM 186 N ILE A 14 2.410 -4.167 -8.342 1.00 0.00 N ATOM 187 CA ILE A 14 3.003 -2.890 -7.980 1.00 0.00 C ATOM 188 C ILE A 14 1.974 -1.777 -8.190 1.00 0.00 C ATOM 189 O ILE A 14 1.747 -0.961 -7.298 1.00 0.00 O ATOM 190 CB ILE A 14 4.310 -2.672 -8.743 1.00 0.00 C ATOM 191 CG1 ILE A 14 5.184 -1.627 -8.047 1.00 0.00 C ATOM 192 CG2 ILE A 14 4.037 -2.310 -10.205 1.00 0.00 C ATOM 193 CD1 ILE A 14 4.522 -0.247 -8.084 1.00 0.00 C ATOM 0 H ILE A 14 2.810 -4.603 -9.173 1.00 0.00 H new ATOM 0 HA ILE A 14 3.272 -2.880 -6.924 1.00 0.00 H new ATOM 0 HB ILE A 14 4.867 -3.609 -8.742 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.358 -1.923 -7.013 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.158 -1.580 -8.533 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.983 -2.160 -10.725 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.484 -3.119 -10.683 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.449 -1.393 -10.249 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.163 0.478 -7.583 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.372 0.057 -9.120 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.559 -0.292 -7.576 1.00 0.00 H new ATOM 205 N ARG A 15 1.380 -1.781 -9.374 1.00 0.00 N ATOM 206 CA ARG A 15 0.381 -0.781 -9.713 1.00 0.00 C ATOM 207 C ARG A 15 -0.815 -0.884 -8.764 1.00 0.00 C ATOM 208 O ARG A 15 -1.286 0.126 -8.242 1.00 0.00 O ATOM 209 CB ARG A 15 -0.104 -0.953 -11.153 1.00 0.00 C ATOM 210 CG ARG A 15 -0.630 0.369 -11.716 1.00 0.00 C ATOM 211 CD ARG A 15 -1.897 0.146 -12.546 1.00 0.00 C ATOM 212 NE ARG A 15 -2.562 1.441 -12.814 1.00 0.00 N ATOM 213 CZ ARG A 15 -3.756 1.565 -13.430 1.00 0.00 C ATOM 214 NH1 ARG A 15 -4.427 0.472 -13.849 1.00 0.00 N ATOM 215 NH2 ARG A 15 -4.257 2.771 -13.617 1.00 0.00 N ATOM 0 H ARG A 15 1.571 -2.460 -10.111 1.00 0.00 H new ATOM 0 HA ARG A 15 0.846 0.200 -9.613 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.714 -1.318 -11.775 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.891 -1.706 -11.188 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.843 1.058 -10.898 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.137 0.836 -12.334 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.644 -0.344 -13.486 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.578 -0.518 -12.014 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.088 2.293 -12.514 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.032 -0.457 -13.701 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.329 0.574 -14.314 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.743 3.592 -13.298 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.158 2.882 -14.081 1.00 0.00 H new ATOM 228 N SER A 16 -1.271 -2.112 -8.568 1.00 0.00 N ATOM 229 CA SER A 16 -2.403 -2.358 -7.691 1.00 0.00 C ATOM 230 C SER A 16 -2.078 -1.887 -6.272 1.00 0.00 C ATOM 231 O SER A 16 -2.828 -1.108 -5.686 1.00 0.00 O ATOM 232 CB SER A 16 -2.782 -3.841 -7.685 1.00 0.00 C ATOM 233 OG SER A 16 -3.543 -4.203 -8.834 1.00 0.00 O ATOM 0 H SER A 16 -0.877 -2.947 -9.001 1.00 0.00 H new ATOM 0 HA SER A 16 -3.256 -1.794 -8.067 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.876 -4.446 -7.645 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.355 -4.065 -6.785 1.00 0.00 H new ATOM 0 HG SER A 16 -2.943 -4.542 -9.531 1.00 0.00 H new ATOM 239 N LEU A 17 -0.960 -2.381 -5.762 1.00 0.00 N ATOM 240 CA LEU A 17 -0.526 -2.020 -4.422 1.00 0.00 C ATOM 241 C LEU A 17 -0.434 -0.496 -4.314 1.00 0.00 C ATOM 242 O LEU A 17 -0.850 0.085 -3.312 1.00 0.00 O ATOM 243 CB LEU A 17 0.775 -2.742 -4.067 1.00 0.00 C ATOM 244 CG LEU A 17 0.625 -4.151 -3.489 1.00 0.00 C ATOM 245 CD1 LEU A 17 0.412 -4.101 -1.974 1.00 0.00 C ATOM 246 CD2 LEU A 17 -0.491 -4.919 -4.201 1.00 0.00 C ATOM 0 H LEU A 17 -0.341 -3.028 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.257 -2.349 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.390 -2.803 -4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.321 -2.132 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 17 1.553 -4.695 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.308 -5.115 -1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.268 -3.619 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.492 -3.534 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.577 -5.917 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.435 -4.388 -4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.257 -5.000 -5.263 1.00 0.00 H new ATOM 258 N GLN A 18 0.114 0.107 -5.359 1.00 0.00 N ATOM 259 CA GLN A 18 0.266 1.551 -5.393 1.00 0.00 C ATOM 260 C GLN A 18 -1.079 2.234 -5.133 1.00 0.00 C ATOM 261 O GLN A 18 -1.157 3.179 -4.350 1.00 0.00 O ATOM 262 CB GLN A 18 0.864 2.008 -6.726 1.00 0.00 C ATOM 263 CG GLN A 18 1.162 3.508 -6.707 1.00 0.00 C ATOM 264 CD GLN A 18 0.656 4.184 -7.984 1.00 0.00 C ATOM 265 OE1 GLN A 18 -0.156 5.094 -7.956 1.00 0.00 O ATOM 266 NE2 GLN A 18 1.179 3.688 -9.102 1.00 0.00 N ATOM 0 H GLN A 18 0.458 -0.378 -6.188 1.00 0.00 H new ATOM 0 HA GLN A 18 0.958 1.842 -4.602 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.781 1.454 -6.926 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.171 1.781 -7.536 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.690 3.965 -5.838 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.236 3.668 -6.607 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.854 2.925 -9.054 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.905 4.070 -10.007 1.00 0.00 H new ATOM 275 N GLU A 19 -2.102 1.727 -5.802 1.00 0.00 N ATOM 276 CA GLU A 19 -3.440 2.275 -5.653 1.00 0.00 C ATOM 277 C GLU A 19 -3.911 2.138 -4.203 1.00 0.00 C ATOM 278 O GLU A 19 -4.426 3.091 -3.622 1.00 0.00 O ATOM 279 CB GLU A 19 -4.421 1.600 -6.614 1.00 0.00 C ATOM 280 CG GLU A 19 -4.232 2.117 -8.041 1.00 0.00 C ATOM 281 CD GLU A 19 -5.394 1.684 -8.939 1.00 0.00 C ATOM 282 OE1 GLU A 19 -5.850 0.535 -8.851 1.00 0.00 O ATOM 283 OE2 GLU A 19 -5.824 2.591 -9.749 1.00 0.00 O ATOM 0 H GLU A 19 -2.032 0.942 -6.449 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.407 3.335 -5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.273 0.520 -6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.444 1.788 -6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.161 3.205 -8.031 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.293 1.740 -8.447 1.00 0.00 H new ATOM 291 N GLN A 20 -3.717 0.944 -3.663 1.00 0.00 N ATOM 292 CA GLN A 20 -4.116 0.671 -2.292 1.00 0.00 C ATOM 293 C GLN A 20 -3.308 1.534 -1.322 1.00 0.00 C ATOM 294 O GLN A 20 -3.811 1.930 -0.271 1.00 0.00 O ATOM 295 CB GLN A 20 -3.961 -0.816 -1.962 1.00 0.00 C ATOM 296 CG GLN A 20 -3.799 -1.030 -0.457 1.00 0.00 C ATOM 297 CD GLN A 20 -3.992 -2.502 -0.088 1.00 0.00 C ATOM 298 OE1 GLN A 20 -3.897 -3.393 -0.916 1.00 0.00 O ATOM 299 NE2 GLN A 20 -4.267 -2.706 1.197 1.00 0.00 N ATOM 0 H GLN A 20 -3.290 0.155 -4.149 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.170 0.926 -2.183 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.833 -1.364 -2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.094 -1.220 -2.486 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.809 -0.700 -0.144 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.524 -0.419 0.081 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.332 -1.914 1.837 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.413 -3.654 1.543 1.00 0.00 H new ATOM 308 N ASN A 21 -2.069 1.801 -1.708 1.00 0.00 N ATOM 309 CA ASN A 21 -1.186 2.610 -0.885 1.00 0.00 C ATOM 310 C ASN A 21 -1.780 4.013 -0.735 1.00 0.00 C ATOM 311 O ASN A 21 -1.879 4.534 0.375 1.00 0.00 O ATOM 312 CB ASN A 21 0.194 2.749 -1.529 1.00 0.00 C ATOM 313 CG ASN A 21 1.138 1.646 -1.044 1.00 0.00 C ATOM 314 OD1 ASN A 21 2.024 1.863 -0.233 1.00 0.00 O ATOM 315 ND2 ASN A 21 0.899 0.454 -1.582 1.00 0.00 N ATOM 0 H ASN A 21 -1.656 1.471 -2.580 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.085 2.120 0.083 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.100 2.701 -2.614 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.615 3.725 -1.288 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.473 -0.348 -1.321 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.141 0.341 -2.255 1.00 0.00 H new ATOM 322 N TYR A 22 -2.160 4.585 -1.869 1.00 0.00 N ATOM 323 CA TYR A 22 -2.742 5.916 -1.878 1.00 0.00 C ATOM 324 C TYR A 22 -4.158 5.900 -1.300 1.00 0.00 C ATOM 325 O TYR A 22 -4.645 6.919 -0.813 1.00 0.00 O ATOM 326 CB TYR A 22 -2.807 6.337 -3.347 1.00 0.00 C ATOM 327 CG TYR A 22 -1.582 7.120 -3.825 1.00 0.00 C ATOM 328 CD1 TYR A 22 -1.331 8.381 -3.326 1.00 0.00 C ATOM 329 CD2 TYR A 22 -0.729 6.564 -4.757 1.00 0.00 C ATOM 330 CE1 TYR A 22 -0.178 9.118 -3.776 1.00 0.00 C ATOM 331 CE2 TYR A 22 0.424 7.300 -5.207 1.00 0.00 C ATOM 332 CZ TYR A 22 0.642 8.541 -4.695 1.00 0.00 C ATOM 333 OH TYR A 22 1.731 9.236 -5.120 1.00 0.00 O ATOM 0 H TYR A 22 -2.076 4.150 -2.788 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.146 6.600 -1.273 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.920 5.446 -3.965 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.698 6.946 -3.501 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.999 8.816 -2.598 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.926 5.577 -5.149 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.030 10.106 -3.393 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.100 6.876 -5.935 1.00 0.00 H new ATOM 0 HH TYR A 22 2.226 8.700 -5.775 1.00 0.00 H new ATOM 343 N HIS A 23 -4.779 4.732 -1.373 1.00 0.00 N ATOM 344 CA HIS A 23 -6.130 4.569 -0.864 1.00 0.00 C ATOM 345 C HIS A 23 -6.091 4.435 0.659 1.00 0.00 C ATOM 346 O HIS A 23 -6.941 4.988 1.357 1.00 0.00 O ATOM 347 CB HIS A 23 -6.830 3.391 -1.545 1.00 0.00 C ATOM 348 CG HIS A 23 -8.336 3.481 -1.531 1.00 0.00 C ATOM 349 ND1 HIS A 23 -9.147 2.431 -1.138 1.00 0.00 N ATOM 350 CD2 HIS A 23 -9.172 4.506 -1.866 1.00 0.00 C ATOM 351 CE1 HIS A 23 -10.411 2.817 -1.236 1.00 0.00 C ATOM 352 NE2 HIS A 23 -10.424 4.104 -1.688 1.00 0.00 N ATOM 0 H HIS A 23 -4.371 3.889 -1.777 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.721 5.453 -1.102 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.490 3.328 -2.579 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.527 2.467 -1.052 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.866 5.481 -2.217 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.278 2.218 -1.000 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -11.258 4.665 -1.861 1.00 0.00 H new ATOM 360 N LEU A 24 -5.096 3.698 1.131 1.00 0.00 N ATOM 361 CA LEU A 24 -4.936 3.485 2.560 1.00 0.00 C ATOM 362 C LEU A 24 -4.272 4.715 3.183 1.00 0.00 C ATOM 363 O LEU A 24 -4.514 5.032 4.346 1.00 0.00 O ATOM 364 CB LEU A 24 -4.184 2.179 2.825 1.00 0.00 C ATOM 365 CG LEU A 24 -4.925 1.137 3.666 1.00 0.00 C ATOM 366 CD1 LEU A 24 -4.186 -0.202 3.657 1.00 0.00 C ATOM 367 CD2 LEU A 24 -5.165 1.650 5.087 1.00 0.00 C ATOM 0 H LEU A 24 -4.393 3.241 0.550 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.908 3.370 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.930 1.728 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.245 2.418 3.324 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.903 0.967 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.734 -0.924 4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.111 -0.569 2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.186 -0.068 4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.693 0.891 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.208 1.866 5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.765 2.559 5.049 1.00 0.00 H new ATOM 379 N GLU A 25 -3.447 5.372 2.382 1.00 0.00 N ATOM 380 CA GLU A 25 -2.746 6.560 2.841 1.00 0.00 C ATOM 381 C GLU A 25 -3.724 7.725 2.998 1.00 0.00 C ATOM 382 O GLU A 25 -3.709 8.420 4.013 1.00 0.00 O ATOM 383 CB GLU A 25 -1.606 6.925 1.889 1.00 0.00 C ATOM 384 CG GLU A 25 -1.059 8.320 2.197 1.00 0.00 C ATOM 385 CD GLU A 25 0.073 8.691 1.237 1.00 0.00 C ATOM 386 OE1 GLU A 25 -0.119 9.535 0.350 1.00 0.00 O ATOM 387 OE2 GLU A 25 1.184 8.067 1.439 1.00 0.00 O ATOM 0 H GLU A 25 -3.248 5.105 1.418 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.307 6.346 3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.806 6.190 1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.962 6.889 0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.861 9.054 2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.695 8.353 3.224 1.00 0.00 H new ATOM 395 N ASN A 26 -4.551 7.904 1.978 1.00 0.00 N ATOM 396 CA ASN A 26 -5.534 8.974 1.990 1.00 0.00 C ATOM 397 C ASN A 26 -6.648 8.627 2.981 1.00 0.00 C ATOM 398 O ASN A 26 -7.250 9.517 3.579 1.00 0.00 O ATOM 399 CB ASN A 26 -6.169 9.155 0.610 1.00 0.00 C ATOM 400 CG ASN A 26 -5.231 9.915 -0.330 1.00 0.00 C ATOM 401 OD1 ASN A 26 -4.650 10.930 0.019 1.00 0.00 O ATOM 402 ND2 ASN A 26 -5.117 9.370 -1.537 1.00 0.00 N ATOM 0 H ASN A 26 -4.560 7.326 1.138 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.026 9.895 2.277 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.405 8.180 0.184 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.110 9.697 0.707 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.515 9.803 -2.237 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.632 8.519 -1.763 1.00 0.00 H new ATOM 409 N GLU A 27 -6.886 7.332 3.124 1.00 0.00 N ATOM 410 CA GLU A 27 -7.915 6.856 4.032 1.00 0.00 C ATOM 411 C GLU A 27 -7.506 7.120 5.483 1.00 0.00 C ATOM 412 O GLU A 27 -8.213 7.811 6.215 1.00 0.00 O ATOM 413 CB GLU A 27 -8.204 5.371 3.805 1.00 0.00 C ATOM 414 CG GLU A 27 -9.249 4.857 4.797 1.00 0.00 C ATOM 415 CD GLU A 27 -10.500 4.361 4.069 1.00 0.00 C ATOM 416 OE1 GLU A 27 -11.052 5.082 3.225 1.00 0.00 O ATOM 417 OE2 GLU A 27 -10.895 3.181 4.407 1.00 0.00 O ATOM 0 H GLU A 27 -6.384 6.597 2.626 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.834 7.406 3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.559 5.218 2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.283 4.797 3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.825 4.047 5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.519 5.653 5.491 1.00 0.00 H new ATOM 425 N VAL A 28 -6.368 6.555 5.855 1.00 0.00 N ATOM 426 CA VAL A 28 -5.856 6.720 7.205 1.00 0.00 C ATOM 427 C VAL A 28 -5.750 8.213 7.527 1.00 0.00 C ATOM 428 O VAL A 28 -6.113 8.642 8.620 1.00 0.00 O ATOM 429 CB VAL A 28 -4.526 5.980 7.355 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.345 6.948 7.253 1.00 0.00 C ATOM 431 CG2 VAL A 28 -4.480 5.196 8.668 1.00 0.00 C ATOM 0 H VAL A 28 -5.785 5.982 5.245 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.541 6.279 7.929 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.446 5.266 6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.412 6.396 7.363 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.362 7.442 6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.419 7.697 8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.524 4.679 8.750 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.594 5.883 9.506 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.290 4.466 8.685 1.00 0.00 H new ATOM 441 N ALA A 29 -5.249 8.960 6.554 1.00 0.00 N ATOM 442 CA ALA A 29 -5.091 10.395 6.720 1.00 0.00 C ATOM 443 C ALA A 29 -6.446 11.018 7.060 1.00 0.00 C ATOM 444 O ALA A 29 -6.657 11.480 8.181 1.00 0.00 O ATOM 445 CB ALA A 29 -4.478 10.991 5.451 1.00 0.00 C ATOM 0 H ALA A 29 -4.948 8.599 5.649 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.412 10.613 7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.359 12.067 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.504 10.537 5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.134 10.794 4.603 1.00 0.00 H new ATOM 451 N ARG A 30 -7.329 11.010 6.073 1.00 0.00 N ATOM 452 CA ARG A 30 -8.658 11.569 6.253 1.00 0.00 C ATOM 453 C ARG A 30 -9.319 10.975 7.500 1.00 0.00 C ATOM 454 O ARG A 30 -10.206 11.591 8.089 1.00 0.00 O ATOM 455 CB ARG A 30 -9.543 11.293 5.036 1.00 0.00 C ATOM 456 CG ARG A 30 -10.847 12.089 5.113 1.00 0.00 C ATOM 457 CD ARG A 30 -11.997 11.321 4.458 1.00 0.00 C ATOM 458 NE ARG A 30 -13.249 12.104 4.556 1.00 0.00 N ATOM 459 CZ ARG A 30 -14.410 11.753 3.962 1.00 0.00 C ATOM 460 NH1 ARG A 30 -14.488 10.628 3.221 1.00 0.00 N ATOM 461 NH2 ARG A 30 -15.467 12.528 4.117 1.00 0.00 N ATOM 0 H ARG A 30 -7.150 10.625 5.145 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.550 12.647 6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.006 11.556 4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.766 10.228 4.979 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.090 12.296 6.155 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.719 13.052 4.618 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.763 11.122 3.412 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.124 10.354 4.945 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.234 12.962 5.107 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.666 10.035 3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.369 10.371 2.776 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.399 13.377 4.678 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.352 12.278 3.675 1.00 0.00 H new ATOM 474 N LEU A 31 -8.861 9.786 7.863 1.00 0.00 N ATOM 475 CA LEU A 31 -9.397 9.103 9.028 1.00 0.00 C ATOM 476 C LEU A 31 -8.971 9.850 10.293 1.00 0.00 C ATOM 477 O LEU A 31 -9.815 10.262 11.088 1.00 0.00 O ATOM 478 CB LEU A 31 -8.988 7.628 9.019 1.00 0.00 C ATOM 479 CG LEU A 31 -9.666 6.737 10.062 1.00 0.00 C ATOM 480 CD1 LEU A 31 -11.152 7.076 10.191 1.00 0.00 C ATOM 481 CD2 LEU A 31 -9.441 5.257 9.749 1.00 0.00 C ATOM 0 H LEU A 31 -8.125 9.279 7.371 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.487 9.109 9.005 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.197 7.220 8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.910 7.570 9.166 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.206 6.935 11.030 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.609 6.428 10.939 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.263 8.117 10.496 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.644 6.925 9.230 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.933 4.646 10.506 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.857 5.025 8.769 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.372 5.043 9.749 1.00 0.00 H new ATOM 493 N LYS A 32 -7.663 10.003 10.439 1.00 0.00 N ATOM 494 CA LYS A 32 -7.117 10.695 11.594 1.00 0.00 C ATOM 495 C LYS A 32 -7.758 12.079 11.706 1.00 0.00 C ATOM 496 O LYS A 32 -7.936 12.598 12.808 1.00 0.00 O ATOM 497 CB LYS A 32 -5.589 10.729 11.524 1.00 0.00 C ATOM 498 CG LYS A 32 -5.018 9.325 11.311 1.00 0.00 C ATOM 499 CD LYS A 32 -3.831 9.357 10.346 1.00 0.00 C ATOM 500 CE LYS A 32 -2.999 8.078 10.458 1.00 0.00 C ATOM 501 NZ LYS A 32 -2.251 8.057 11.736 1.00 0.00 N ATOM 0 H LYS A 32 -6.966 9.660 9.778 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.360 10.157 12.510 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.273 11.381 10.710 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.189 11.152 12.445 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.703 8.908 12.267 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.794 8.669 10.917 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.192 9.472 9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.205 10.223 10.563 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.651 7.206 10.397 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.303 8.015 9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.230 8.095 11.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.524 8.879 12.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.473 7.183 12.254 1.00 0.00 H new ATOM 514 N LYS A 33 -8.088 12.638 10.551 1.00 0.00 N ATOM 515 CA LYS A 33 -8.705 13.953 10.505 1.00 0.00 C ATOM 516 C LYS A 33 -10.185 13.829 10.875 1.00 0.00 C ATOM 517 O LYS A 33 -10.737 14.703 11.543 1.00 0.00 O ATOM 518 CB LYS A 33 -8.465 14.611 9.145 1.00 0.00 C ATOM 519 CG LYS A 33 -8.954 16.060 9.143 1.00 0.00 C ATOM 520 CD LYS A 33 -9.553 16.436 7.786 1.00 0.00 C ATOM 521 CE LYS A 33 -11.044 16.101 7.734 1.00 0.00 C ATOM 522 NZ LYS A 33 -11.697 16.820 6.617 1.00 0.00 N ATOM 0 H LYS A 33 -7.940 12.204 9.640 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.246 14.615 11.239 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.402 14.582 8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.982 14.048 8.368 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.702 16.196 9.925 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.124 16.728 9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.409 17.501 7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.029 15.903 6.993 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.177 15.026 7.610 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.518 16.374 8.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.709 16.582 6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.585 17.845 6.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.256 16.539 5.718 1.00 0.00 H new ATOM 535 N LEU A 34 -10.786 12.737 10.425 1.00 0.00 N ATOM 536 CA LEU A 34 -12.190 12.488 10.701 1.00 0.00 C ATOM 537 C LEU A 34 -12.357 12.109 12.174 1.00 0.00 C ATOM 538 O LEU A 34 -13.201 12.670 12.870 1.00 0.00 O ATOM 539 CB LEU A 34 -12.750 11.446 9.730 1.00 0.00 C ATOM 540 CG LEU A 34 -14.273 11.413 9.586 1.00 0.00 C ATOM 541 CD1 LEU A 34 -14.683 11.323 8.115 1.00 0.00 C ATOM 542 CD2 LEU A 34 -14.878 10.282 10.420 1.00 0.00 C ATOM 0 H LEU A 34 -10.326 12.015 9.871 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.777 13.392 10.536 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.316 11.625 8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.414 10.460 10.052 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.673 12.349 9.975 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -15.770 11.301 8.041 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -14.300 12.190 7.577 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.271 10.414 7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -15.961 10.281 10.300 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -14.475 9.327 10.084 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -14.630 10.432 11.471 1.00 0.00 H new ATOM 554 N VAL A 35 -11.539 11.160 12.604 1.00 0.00 N ATOM 555 CA VAL A 35 -11.586 10.698 13.981 1.00 0.00 C ATOM 556 C VAL A 35 -11.360 11.886 14.919 1.00 0.00 C ATOM 557 O VAL A 35 -12.179 12.154 15.796 1.00 0.00 O ATOM 558 CB VAL A 35 -10.575 9.570 14.190 1.00 0.00 C ATOM 559 CG1 VAL A 35 -10.896 8.373 13.293 1.00 0.00 C ATOM 560 CG2 VAL A 35 -9.146 10.064 13.954 1.00 0.00 C ATOM 0 H VAL A 35 -10.839 10.698 12.023 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.567 10.282 14.212 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.649 9.241 15.227 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.162 7.585 13.461 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.892 7.998 13.529 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.863 8.682 12.248 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.447 9.242 14.109 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.052 10.432 12.932 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.920 10.870 14.652 1.00 0.00 H new ATOM 570 N GLY A 36 -10.243 12.565 14.703 1.00 0.00 N ATOM 571 CA GLY A 36 -9.898 13.718 15.518 1.00 0.00 C ATOM 572 C GLY A 36 -10.402 13.545 16.953 1.00 0.00 C ATOM 573 O GLY A 36 -10.829 14.509 17.584 1.00 0.00 O ATOM 0 H GLY A 36 -9.565 12.339 13.975 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.817 13.854 15.522 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.331 14.619 15.083 1.00 0.00 H new ATOM 577 N GLU A 37 -10.333 12.309 17.424 1.00 0.00 N ATOM 578 CA GLU A 37 -10.777 11.997 18.773 1.00 0.00 C ATOM 579 C GLU A 37 -9.714 12.414 19.791 1.00 0.00 C ATOM 580 O GLU A 37 -8.752 13.098 19.445 1.00 0.00 O ATOM 581 CB GLU A 37 -11.113 10.511 18.909 1.00 0.00 C ATOM 582 CG GLU A 37 -9.870 9.645 18.703 1.00 0.00 C ATOM 583 CD GLU A 37 -8.966 9.681 19.938 1.00 0.00 C ATOM 584 OE1 GLU A 37 -9.458 9.555 21.069 1.00 0.00 O ATOM 585 OE2 GLU A 37 -7.711 9.845 19.691 1.00 0.00 O ATOM 0 H GLU A 37 -9.977 11.512 16.897 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.687 12.562 18.975 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.534 10.319 19.896 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.875 10.239 18.179 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.169 8.617 18.496 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.317 9.998 17.832 1.00 0.00 H new ATOM 593 N ARG A 38 -9.924 11.985 21.027 1.00 0.00 N ATOM 594 CA ARG A 38 -8.995 12.305 22.098 1.00 0.00 C ATOM 595 C ARG A 38 -8.735 13.812 22.141 1.00 0.00 C ATOM 596 O ARG A 38 -8.358 14.350 23.182 1.00 0.00 O ATOM 597 CB ARG A 38 -7.666 11.570 21.913 1.00 0.00 C ATOM 598 CG ARG A 38 -6.584 12.155 22.824 1.00 0.00 C ATOM 599 CD ARG A 38 -5.553 11.090 23.202 1.00 0.00 C ATOM 600 NE ARG A 38 -4.201 11.693 23.257 1.00 0.00 N ATOM 601 CZ ARG A 38 -3.112 11.064 23.745 1.00 0.00 C ATOM 602 NH1 ARG A 38 -3.205 9.806 24.225 1.00 0.00 N ATOM 603 NH2 ARG A 38 -1.954 11.697 23.745 1.00 0.00 N ATOM 0 H ARG A 38 -10.724 11.419 21.311 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.447 11.983 23.036 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.798 10.511 22.134 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.348 11.642 20.873 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.088 12.984 22.320 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.043 12.559 23.726 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.806 10.654 24.168 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.570 10.280 22.473 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.086 12.643 22.904 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.104 9.324 24.221 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.377 9.338 24.592 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.892 12.647 23.380 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.121 11.236 24.110 1.00 0.00 H new TER 616 ARG A 38 ATOM 617 N GLY B 1 4.953 2.671 -14.937 1.00 0.00 N ATOM 618 CA GLY B 1 5.905 3.542 -15.606 1.00 0.00 C ATOM 619 C GLY B 1 5.415 3.915 -17.008 1.00 0.00 C ATOM 620 O GLY B 1 4.300 3.567 -17.392 1.00 0.00 O ATOM 0 H1 GLY B 1 4.594 3.141 -14.082 1.00 0.00 H new ATOM 0 H2 GLY B 1 4.160 2.466 -15.578 1.00 0.00 H new ATOM 0 H3 GLY B 1 5.423 1.782 -14.672 1.00 0.00 H new ATOM 0 HA2 GLY B 1 6.053 4.446 -15.016 1.00 0.00 H new ATOM 0 HA3 GLY B 1 6.872 3.045 -15.675 1.00 0.00 H new ATOM 624 N ALA B 2 6.273 4.618 -17.731 1.00 0.00 N ATOM 625 CA ALA B 2 5.943 5.043 -19.081 1.00 0.00 C ATOM 626 C ALA B 2 5.706 3.809 -19.955 1.00 0.00 C ATOM 627 O ALA B 2 4.595 3.587 -20.434 1.00 0.00 O ATOM 628 CB ALA B 2 7.059 5.937 -19.624 1.00 0.00 C ATOM 0 H ALA B 2 7.197 4.904 -17.408 1.00 0.00 H new ATOM 0 HA ALA B 2 5.025 5.631 -19.084 1.00 0.00 H new ATOM 0 HB1 ALA B 2 6.810 6.255 -20.636 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.167 6.813 -18.985 1.00 0.00 H new ATOM 0 HB3 ALA B 2 7.996 5.381 -19.638 1.00 0.00 H new ATOM 634 N GLY B 3 6.768 3.040 -20.135 1.00 0.00 N ATOM 635 CA GLY B 3 6.690 1.834 -20.944 1.00 0.00 C ATOM 636 C GLY B 3 7.469 0.688 -20.295 1.00 0.00 C ATOM 637 O GLY B 3 6.951 -0.419 -20.156 1.00 0.00 O ATOM 0 H GLY B 3 7.688 3.227 -19.735 1.00 0.00 H new ATOM 0 HA2 GLY B 3 5.647 1.544 -21.071 1.00 0.00 H new ATOM 0 HA3 GLY B 3 7.089 2.032 -21.939 1.00 0.00 H new ATOM 641 N SER B 4 8.701 0.993 -19.914 1.00 0.00 N ATOM 642 CA SER B 4 9.556 0.002 -19.283 1.00 0.00 C ATOM 643 C SER B 4 8.781 -0.740 -18.192 1.00 0.00 C ATOM 644 O SER B 4 7.656 -0.367 -17.862 1.00 0.00 O ATOM 645 CB SER B 4 10.811 0.650 -18.695 1.00 0.00 C ATOM 646 OG SER B 4 10.584 1.155 -17.382 1.00 0.00 O ATOM 0 H SER B 4 9.127 1.912 -20.030 1.00 0.00 H new ATOM 0 HA SER B 4 9.871 -0.711 -20.045 1.00 0.00 H new ATOM 0 HB2 SER B 4 11.618 -0.082 -18.668 1.00 0.00 H new ATOM 0 HB3 SER B 4 11.138 1.462 -19.344 1.00 0.00 H new ATOM 0 HG SER B 4 11.409 1.559 -17.040 1.00 0.00 H new ATOM 652 N SER B 5 9.413 -1.777 -17.662 1.00 0.00 N ATOM 653 CA SER B 5 8.796 -2.573 -16.615 1.00 0.00 C ATOM 654 C SER B 5 9.777 -2.764 -15.456 1.00 0.00 C ATOM 655 O SER B 5 9.652 -2.116 -14.419 1.00 0.00 O ATOM 656 CB SER B 5 8.339 -3.931 -17.152 1.00 0.00 C ATOM 657 OG SER B 5 7.273 -3.803 -18.089 1.00 0.00 O ATOM 0 H SER B 5 10.346 -2.084 -17.938 1.00 0.00 H new ATOM 0 HA SER B 5 7.916 -2.040 -16.254 1.00 0.00 H new ATOM 0 HB2 SER B 5 9.181 -4.435 -17.627 1.00 0.00 H new ATOM 0 HB3 SER B 5 8.018 -4.560 -16.322 1.00 0.00 H new ATOM 0 HG SER B 5 7.011 -4.691 -18.410 1.00 0.00 H new ATOM 663 N SER B 6 10.731 -3.658 -15.673 1.00 0.00 N ATOM 664 CA SER B 6 11.733 -3.943 -14.659 1.00 0.00 C ATOM 665 C SER B 6 11.140 -4.844 -13.574 1.00 0.00 C ATOM 666 O SER B 6 10.234 -4.435 -12.850 1.00 0.00 O ATOM 667 CB SER B 6 12.273 -2.651 -14.040 1.00 0.00 C ATOM 668 OG SER B 6 12.065 -1.526 -14.888 1.00 0.00 O ATOM 0 H SER B 6 10.831 -4.194 -16.535 1.00 0.00 H new ATOM 0 HA SER B 6 12.565 -4.461 -15.137 1.00 0.00 H new ATOM 0 HB2 SER B 6 11.785 -2.477 -13.081 1.00 0.00 H new ATOM 0 HB3 SER B 6 13.339 -2.762 -13.840 1.00 0.00 H new ATOM 0 HG SER B 6 11.166 -1.166 -14.739 1.00 0.00 H new ATOM 674 N LEU B 7 11.675 -6.054 -13.497 1.00 0.00 N ATOM 675 CA LEU B 7 11.209 -7.016 -12.513 1.00 0.00 C ATOM 676 C LEU B 7 11.831 -6.691 -11.154 1.00 0.00 C ATOM 677 O LEU B 7 11.171 -6.803 -10.122 1.00 0.00 O ATOM 678 CB LEU B 7 11.481 -8.444 -12.990 1.00 0.00 C ATOM 679 CG LEU B 7 12.868 -9.006 -12.666 1.00 0.00 C ATOM 680 CD1 LEU B 7 12.863 -9.738 -11.322 1.00 0.00 C ATOM 681 CD2 LEU B 7 13.378 -9.894 -13.801 1.00 0.00 C ATOM 0 H LEU B 7 12.426 -6.390 -14.100 1.00 0.00 H new ATOM 0 HA LEU B 7 10.128 -6.946 -12.393 1.00 0.00 H new ATOM 0 HB2 LEU B 7 10.732 -9.102 -12.550 1.00 0.00 H new ATOM 0 HB3 LEU B 7 11.340 -8.478 -14.070 1.00 0.00 H new ATOM 0 HG LEU B 7 13.562 -8.171 -12.574 1.00 0.00 H new ATOM 0 HD11 LEU B 7 13.860 -10.127 -11.116 1.00 0.00 H new ATOM 0 HD12 LEU B 7 12.573 -9.046 -10.532 1.00 0.00 H new ATOM 0 HD13 LEU B 7 12.152 -10.563 -11.360 1.00 0.00 H new ATOM 0 HD21 LEU B 7 14.365 -10.280 -13.546 1.00 0.00 H new ATOM 0 HD22 LEU B 7 12.690 -10.726 -13.949 1.00 0.00 H new ATOM 0 HD23 LEU B 7 13.444 -9.310 -14.719 1.00 0.00 H new ATOM 693 N GLU B 8 13.096 -6.296 -11.198 1.00 0.00 N ATOM 694 CA GLU B 8 13.815 -5.955 -9.982 1.00 0.00 C ATOM 695 C GLU B 8 13.333 -4.607 -9.442 1.00 0.00 C ATOM 696 O GLU B 8 13.133 -4.452 -8.238 1.00 0.00 O ATOM 697 CB GLU B 8 15.325 -5.941 -10.225 1.00 0.00 C ATOM 698 CG GLU B 8 15.821 -7.316 -10.676 1.00 0.00 C ATOM 699 CD GLU B 8 16.766 -7.926 -9.638 1.00 0.00 C ATOM 700 OE1 GLU B 8 17.654 -7.231 -9.124 1.00 0.00 O ATOM 701 OE2 GLU B 8 16.549 -9.170 -9.370 1.00 0.00 O ATOM 0 H GLU B 8 13.640 -6.205 -12.056 1.00 0.00 H new ATOM 0 HA GLU B 8 13.608 -6.719 -9.233 1.00 0.00 H new ATOM 0 HB2 GLU B 8 15.568 -5.196 -10.983 1.00 0.00 H new ATOM 0 HB3 GLU B 8 15.841 -5.646 -9.311 1.00 0.00 H new ATOM 0 HG2 GLU B 8 14.971 -7.980 -10.833 1.00 0.00 H new ATOM 0 HG3 GLU B 8 16.336 -7.225 -11.633 1.00 0.00 H new ATOM 709 N ALA B 9 13.162 -3.665 -10.358 1.00 0.00 N ATOM 710 CA ALA B 9 12.709 -2.335 -9.989 1.00 0.00 C ATOM 711 C ALA B 9 11.291 -2.425 -9.420 1.00 0.00 C ATOM 712 O ALA B 9 10.993 -1.824 -8.388 1.00 0.00 O ATOM 713 CB ALA B 9 12.791 -1.410 -11.204 1.00 0.00 C ATOM 0 H ALA B 9 13.329 -3.797 -11.356 1.00 0.00 H new ATOM 0 HA ALA B 9 13.350 -1.913 -9.215 1.00 0.00 H new ATOM 0 HB1 ALA B 9 12.451 -0.413 -10.926 1.00 0.00 H new ATOM 0 HB2 ALA B 9 13.823 -1.357 -11.552 1.00 0.00 H new ATOM 0 HB3 ALA B 9 12.158 -1.800 -12.001 1.00 0.00 H new ATOM 719 N VAL B 10 10.454 -3.178 -10.118 1.00 0.00 N ATOM 720 CA VAL B 10 9.075 -3.355 -9.695 1.00 0.00 C ATOM 721 C VAL B 10 9.032 -4.290 -8.485 1.00 0.00 C ATOM 722 O VAL B 10 8.104 -4.227 -7.679 1.00 0.00 O ATOM 723 CB VAL B 10 8.228 -3.853 -10.867 1.00 0.00 C ATOM 724 CG1 VAL B 10 6.773 -4.059 -10.443 1.00 0.00 C ATOM 725 CG2 VAL B 10 8.323 -2.897 -12.057 1.00 0.00 C ATOM 0 H VAL B 10 10.704 -3.673 -10.974 1.00 0.00 H new ATOM 0 HA VAL B 10 8.646 -2.403 -9.384 1.00 0.00 H new ATOM 0 HB VAL B 10 8.625 -4.818 -11.181 1.00 0.00 H new ATOM 0 HG11 VAL B 10 6.192 -4.413 -11.295 1.00 0.00 H new ATOM 0 HG12 VAL B 10 6.728 -4.796 -9.642 1.00 0.00 H new ATOM 0 HG13 VAL B 10 6.360 -3.114 -10.090 1.00 0.00 H new ATOM 0 HG21 VAL B 10 7.712 -3.274 -12.877 1.00 0.00 H new ATOM 0 HG22 VAL B 10 7.965 -1.911 -11.761 1.00 0.00 H new ATOM 0 HG23 VAL B 10 9.361 -2.823 -12.383 1.00 0.00 H new ATOM 735 N ARG B 11 10.047 -5.138 -8.396 1.00 0.00 N ATOM 736 CA ARG B 11 10.137 -6.086 -7.298 1.00 0.00 C ATOM 737 C ARG B 11 10.362 -5.348 -5.977 1.00 0.00 C ATOM 738 O ARG B 11 9.801 -5.723 -4.948 1.00 0.00 O ATOM 739 CB ARG B 11 11.278 -7.079 -7.521 1.00 0.00 C ATOM 740 CG ARG B 11 11.685 -7.750 -6.208 1.00 0.00 C ATOM 741 CD ARG B 11 12.599 -8.950 -6.465 1.00 0.00 C ATOM 742 NE ARG B 11 12.378 -9.986 -5.432 1.00 0.00 N ATOM 743 CZ ARG B 11 12.688 -9.832 -4.128 1.00 0.00 C ATOM 744 NH1 ARG B 11 13.236 -8.681 -3.683 1.00 0.00 N ATOM 745 NH2 ARG B 11 12.447 -10.825 -3.290 1.00 0.00 N ATOM 0 H ARG B 11 10.814 -5.188 -9.066 1.00 0.00 H new ATOM 0 HA ARG B 11 9.196 -6.635 -7.255 1.00 0.00 H new ATOM 0 HB2 ARG B 11 10.970 -7.837 -8.241 1.00 0.00 H new ATOM 0 HB3 ARG B 11 12.136 -6.562 -7.951 1.00 0.00 H new ATOM 0 HG2 ARG B 11 12.196 -7.029 -5.570 1.00 0.00 H new ATOM 0 HG3 ARG B 11 10.794 -8.075 -5.671 1.00 0.00 H new ATOM 0 HD2 ARG B 11 12.401 -9.363 -7.454 1.00 0.00 H new ATOM 0 HD3 ARG B 11 13.642 -8.632 -6.455 1.00 0.00 H new ATOM 0 HE ARG B 11 11.965 -10.872 -5.724 1.00 0.00 H new ATOM 0 HH11 ARG B 11 13.419 -7.918 -4.335 1.00 0.00 H new ATOM 0 HH12 ARG B 11 13.467 -8.574 -2.695 1.00 0.00 H new ATOM 0 HH21 ARG B 11 12.032 -11.692 -3.632 1.00 0.00 H new ATOM 0 HH22 ARG B 11 12.676 -10.725 -2.301 1.00 0.00 H new ATOM 758 N ARG B 12 11.185 -4.311 -6.048 1.00 0.00 N ATOM 759 CA ARG B 12 11.492 -3.518 -4.870 1.00 0.00 C ATOM 760 C ARG B 12 10.354 -2.537 -4.579 1.00 0.00 C ATOM 761 O ARG B 12 10.055 -2.253 -3.421 1.00 0.00 O ATOM 762 CB ARG B 12 12.794 -2.737 -5.057 1.00 0.00 C ATOM 763 CG ARG B 12 13.147 -1.951 -3.793 1.00 0.00 C ATOM 764 CD ARG B 12 13.833 -0.627 -4.143 1.00 0.00 C ATOM 765 NE ARG B 12 14.236 0.077 -2.905 1.00 0.00 N ATOM 766 CZ ARG B 12 14.972 1.208 -2.884 1.00 0.00 C ATOM 767 NH1 ARG B 12 15.395 1.772 -4.035 1.00 0.00 N ATOM 768 NH2 ARG B 12 15.275 1.753 -1.720 1.00 0.00 N ATOM 0 H ARG B 12 11.648 -4.002 -6.903 1.00 0.00 H new ATOM 0 HA ARG B 12 11.609 -4.203 -4.030 1.00 0.00 H new ATOM 0 HB2 ARG B 12 13.604 -3.425 -5.300 1.00 0.00 H new ATOM 0 HB3 ARG B 12 12.694 -2.053 -5.899 1.00 0.00 H new ATOM 0 HG2 ARG B 12 12.242 -1.755 -3.218 1.00 0.00 H new ATOM 0 HG3 ARG B 12 13.803 -2.549 -3.160 1.00 0.00 H new ATOM 0 HD2 ARG B 12 14.708 -0.815 -4.766 1.00 0.00 H new ATOM 0 HD3 ARG B 12 13.157 0.000 -4.724 1.00 0.00 H new ATOM 0 HE ARG B 12 13.939 -0.317 -2.012 1.00 0.00 H new ATOM 0 HH11 ARG B 12 15.159 1.343 -4.930 1.00 0.00 H new ATOM 0 HH12 ARG B 12 15.951 2.627 -4.010 1.00 0.00 H new ATOM 0 HH21 ARG B 12 14.954 1.319 -0.855 1.00 0.00 H new ATOM 0 HH22 ARG B 12 15.830 2.608 -1.686 1.00 0.00 H new ATOM 781 N LYS B 13 9.750 -2.047 -5.652 1.00 0.00 N ATOM 782 CA LYS B 13 8.652 -1.103 -5.527 1.00 0.00 C ATOM 783 C LYS B 13 7.412 -1.838 -5.013 1.00 0.00 C ATOM 784 O LYS B 13 6.635 -1.283 -4.237 1.00 0.00 O ATOM 785 CB LYS B 13 8.426 -0.365 -6.847 1.00 0.00 C ATOM 786 CG LYS B 13 8.105 1.110 -6.602 1.00 0.00 C ATOM 787 CD LYS B 13 9.166 2.015 -7.232 1.00 0.00 C ATOM 788 CE LYS B 13 10.462 1.986 -6.420 1.00 0.00 C ATOM 789 NZ LYS B 13 11.583 2.538 -7.214 1.00 0.00 N ATOM 0 H LYS B 13 10.000 -2.286 -6.612 1.00 0.00 H new ATOM 0 HA LYS B 13 8.894 -0.332 -4.796 1.00 0.00 H new ATOM 0 HB2 LYS B 13 9.316 -0.448 -7.471 1.00 0.00 H new ATOM 0 HB3 LYS B 13 7.608 -0.833 -7.394 1.00 0.00 H new ATOM 0 HG2 LYS B 13 7.126 1.347 -7.019 1.00 0.00 H new ATOM 0 HG3 LYS B 13 8.050 1.300 -5.530 1.00 0.00 H new ATOM 0 HD2 LYS B 13 9.365 1.691 -8.254 1.00 0.00 H new ATOM 0 HD3 LYS B 13 8.791 3.037 -7.289 1.00 0.00 H new ATOM 0 HE2 LYS B 13 10.338 2.564 -5.504 1.00 0.00 H new ATOM 0 HE3 LYS B 13 10.689 0.962 -6.122 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 12.455 2.511 -6.648 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 11.711 1.970 -8.075 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 11.371 3.522 -7.477 1.00 0.00 H new ATOM 802 N ILE B 14 7.265 -3.074 -5.466 1.00 0.00 N ATOM 803 CA ILE B 14 6.131 -3.889 -5.063 1.00 0.00 C ATOM 804 C ILE B 14 6.304 -4.305 -3.601 1.00 0.00 C ATOM 805 O ILE B 14 5.372 -4.192 -2.806 1.00 0.00 O ATOM 806 CB ILE B 14 5.952 -5.070 -6.020 1.00 0.00 C ATOM 807 CG1 ILE B 14 4.531 -5.630 -5.938 1.00 0.00 C ATOM 808 CG2 ILE B 14 7.009 -6.146 -5.768 1.00 0.00 C ATOM 809 CD1 ILE B 14 4.145 -5.938 -4.491 1.00 0.00 C ATOM 0 H ILE B 14 7.912 -3.531 -6.108 1.00 0.00 H new ATOM 0 HA ILE B 14 5.207 -3.314 -5.126 1.00 0.00 H new ATOM 0 HB ILE B 14 6.098 -4.710 -7.038 1.00 0.00 H new ATOM 0 HG12 ILE B 14 3.828 -4.912 -6.360 1.00 0.00 H new ATOM 0 HG13 ILE B 14 4.459 -6.537 -6.538 1.00 0.00 H new ATOM 0 HG21 ILE B 14 6.859 -6.973 -6.462 1.00 0.00 H new ATOM 0 HG22 ILE B 14 8.002 -5.723 -5.918 1.00 0.00 H new ATOM 0 HG23 ILE B 14 6.921 -6.510 -4.744 1.00 0.00 H new ATOM 0 HD11 ILE B 14 3.130 -6.335 -4.462 1.00 0.00 H new ATOM 0 HD12 ILE B 14 4.835 -6.675 -4.079 1.00 0.00 H new ATOM 0 HD13 ILE B 14 4.195 -5.024 -3.899 1.00 0.00 H new ATOM 821 N ARG B 15 7.502 -4.778 -3.290 1.00 0.00 N ATOM 822 CA ARG B 15 7.808 -5.211 -1.937 1.00 0.00 C ATOM 823 C ARG B 15 7.601 -4.059 -0.951 1.00 0.00 C ATOM 824 O ARG B 15 6.952 -4.229 0.079 1.00 0.00 O ATOM 825 CB ARG B 15 9.250 -5.711 -1.832 1.00 0.00 C ATOM 826 CG ARG B 15 9.401 -6.713 -0.686 1.00 0.00 C ATOM 827 CD ARG B 15 9.739 -8.107 -1.218 1.00 0.00 C ATOM 828 NE ARG B 15 11.188 -8.205 -1.499 1.00 0.00 N ATOM 829 CZ ARG B 15 12.144 -8.226 -0.545 1.00 0.00 C ATOM 830 NH1 ARG B 15 11.810 -8.155 0.761 1.00 0.00 N ATOM 831 NH2 ARG B 15 13.410 -8.315 -0.909 1.00 0.00 N ATOM 0 H ARG B 15 8.272 -4.871 -3.952 1.00 0.00 H new ATOM 0 HA ARG B 15 7.133 -6.030 -1.690 1.00 0.00 H new ATOM 0 HB2 ARG B 15 9.545 -6.180 -2.771 1.00 0.00 H new ATOM 0 HB3 ARG B 15 9.921 -4.867 -1.672 1.00 0.00 H new ATOM 0 HG2 ARG B 15 10.185 -6.379 -0.007 1.00 0.00 H new ATOM 0 HG3 ARG B 15 8.477 -6.754 -0.110 1.00 0.00 H new ATOM 0 HD2 ARG B 15 9.450 -8.863 -0.488 1.00 0.00 H new ATOM 0 HD3 ARG B 15 9.170 -8.306 -2.126 1.00 0.00 H new ATOM 0 HE ARG B 15 11.484 -8.260 -2.474 1.00 0.00 H new ATOM 0 HH11 ARG B 15 10.830 -8.085 1.034 1.00 0.00 H new ATOM 0 HH12 ARG B 15 12.538 -8.171 1.475 1.00 0.00 H new ATOM 0 HH21 ARG B 15 13.654 -8.367 -1.898 1.00 0.00 H new ATOM 0 HH22 ARG B 15 14.144 -8.332 -0.201 1.00 0.00 H new ATOM 844 N SER B 16 8.167 -2.913 -1.303 1.00 0.00 N ATOM 845 CA SER B 16 8.051 -1.734 -0.462 1.00 0.00 C ATOM 846 C SER B 16 6.578 -1.390 -0.241 1.00 0.00 C ATOM 847 O SER B 16 6.156 -1.145 0.887 1.00 0.00 O ATOM 848 CB SER B 16 8.788 -0.544 -1.079 1.00 0.00 C ATOM 849 OG SER B 16 9.561 0.165 -0.114 1.00 0.00 O ATOM 0 H SER B 16 8.706 -2.777 -2.158 1.00 0.00 H new ATOM 0 HA SER B 16 8.513 -1.954 0.501 1.00 0.00 H new ATOM 0 HB2 SER B 16 9.440 -0.896 -1.878 1.00 0.00 H new ATOM 0 HB3 SER B 16 8.065 0.134 -1.533 1.00 0.00 H new ATOM 0 HG SER B 16 10.017 0.916 -0.548 1.00 0.00 H new ATOM 855 N LEU B 17 5.835 -1.380 -1.339 1.00 0.00 N ATOM 856 CA LEU B 17 4.417 -1.071 -1.279 1.00 0.00 C ATOM 857 C LEU B 17 3.712 -2.089 -0.380 1.00 0.00 C ATOM 858 O LEU B 17 2.815 -1.734 0.382 1.00 0.00 O ATOM 859 CB LEU B 17 3.828 -0.984 -2.689 1.00 0.00 C ATOM 860 CG LEU B 17 4.241 0.236 -3.514 1.00 0.00 C ATOM 861 CD1 LEU B 17 3.767 0.104 -4.962 1.00 0.00 C ATOM 862 CD2 LEU B 17 3.749 1.531 -2.866 1.00 0.00 C ATOM 0 H LEU B 17 6.189 -1.581 -2.274 1.00 0.00 H new ATOM 0 HA LEU B 17 4.261 -0.090 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.114 -1.882 -3.237 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.741 -0.992 -2.608 1.00 0.00 H new ATOM 0 HG LEU B 17 5.330 0.281 -3.534 1.00 0.00 H new ATOM 0 HD11 LEU B 17 4.074 0.984 -5.527 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.209 -0.786 -5.410 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.680 0.020 -4.983 1.00 0.00 H new ATOM 0 HD21 LEU B 17 4.057 2.382 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.662 1.511 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU B 17 4.177 1.624 -1.868 1.00 0.00 H new ATOM 874 N GLN B 18 4.147 -3.335 -0.500 1.00 0.00 N ATOM 875 CA GLN B 18 3.569 -4.407 0.292 1.00 0.00 C ATOM 876 C GLN B 18 3.642 -4.065 1.782 1.00 0.00 C ATOM 877 O GLN B 18 2.620 -4.040 2.467 1.00 0.00 O ATOM 878 CB GLN B 18 4.265 -5.739 0.002 1.00 0.00 C ATOM 879 CG GLN B 18 3.431 -6.916 0.514 1.00 0.00 C ATOM 880 CD GLN B 18 3.922 -8.236 -0.084 1.00 0.00 C ATOM 881 OE1 GLN B 18 3.154 -9.136 -0.382 1.00 0.00 O ATOM 882 NE2 GLN B 18 5.241 -8.302 -0.240 1.00 0.00 N ATOM 0 H GLN B 18 4.892 -3.626 -1.133 1.00 0.00 H new ATOM 0 HA GLN B 18 2.520 -4.513 0.014 1.00 0.00 H new ATOM 0 HB2 GLN B 18 4.427 -5.843 -1.071 1.00 0.00 H new ATOM 0 HB3 GLN B 18 5.247 -5.751 0.475 1.00 0.00 H new ATOM 0 HG2 GLN B 18 3.489 -6.961 1.602 1.00 0.00 H new ATOM 0 HG3 GLN B 18 2.383 -6.763 0.256 1.00 0.00 H new ATOM 0 HE21 GLN B 18 5.827 -7.512 0.030 1.00 0.00 H new ATOM 0 HE22 GLN B 18 5.667 -9.143 -0.630 1.00 0.00 H new ATOM 891 N GLU B 19 4.858 -3.810 2.240 1.00 0.00 N ATOM 892 CA GLU B 19 5.076 -3.470 3.636 1.00 0.00 C ATOM 893 C GLU B 19 4.227 -2.261 4.027 1.00 0.00 C ATOM 894 O GLU B 19 3.658 -2.223 5.117 1.00 0.00 O ATOM 895 CB GLU B 19 6.559 -3.211 3.912 1.00 0.00 C ATOM 896 CG GLU B 19 7.363 -4.512 3.855 1.00 0.00 C ATOM 897 CD GLU B 19 8.587 -4.440 4.771 1.00 0.00 C ATOM 898 OE1 GLU B 19 9.155 -3.354 4.961 1.00 0.00 O ATOM 899 OE2 GLU B 19 8.944 -5.563 5.294 1.00 0.00 O ATOM 0 H GLU B 19 5.703 -3.832 1.669 1.00 0.00 H new ATOM 0 HA GLU B 19 4.769 -4.318 4.248 1.00 0.00 H new ATOM 0 HB2 GLU B 19 6.951 -2.505 3.180 1.00 0.00 H new ATOM 0 HB3 GLU B 19 6.675 -2.750 4.893 1.00 0.00 H new ATOM 0 HG2 GLU B 19 6.730 -5.348 4.152 1.00 0.00 H new ATOM 0 HG3 GLU B 19 7.682 -4.702 2.830 1.00 0.00 H new ATOM 907 N GLN B 20 4.166 -1.301 3.116 1.00 0.00 N ATOM 908 CA GLN B 20 3.395 -0.092 3.351 1.00 0.00 C ATOM 909 C GLN B 20 1.905 -0.424 3.453 1.00 0.00 C ATOM 910 O GLN B 20 1.184 0.176 4.249 1.00 0.00 O ATOM 911 CB GLN B 20 3.651 0.945 2.256 1.00 0.00 C ATOM 912 CG GLN B 20 2.647 2.096 2.345 1.00 0.00 C ATOM 913 CD GLN B 20 3.158 3.329 1.596 1.00 0.00 C ATOM 914 OE1 GLN B 20 4.349 3.583 1.507 1.00 0.00 O ATOM 915 NE2 GLN B 20 2.196 4.079 1.067 1.00 0.00 N ATOM 0 H GLN B 20 4.639 -1.336 2.213 1.00 0.00 H new ATOM 0 HA GLN B 20 3.717 0.341 4.298 1.00 0.00 H new ATOM 0 HB2 GLN B 20 4.665 1.334 2.349 1.00 0.00 H new ATOM 0 HB3 GLN B 20 3.580 0.471 1.277 1.00 0.00 H new ATOM 0 HG2 GLN B 20 1.691 1.782 1.926 1.00 0.00 H new ATOM 0 HG3 GLN B 20 2.470 2.349 3.390 1.00 0.00 H new ATOM 0 HE21 GLN B 20 1.219 3.809 1.179 1.00 0.00 H new ATOM 0 HE22 GLN B 20 2.435 4.925 0.549 1.00 0.00 H new ATOM 924 N ASN B 21 1.487 -1.380 2.635 1.00 0.00 N ATOM 925 CA ASN B 21 0.096 -1.799 2.624 1.00 0.00 C ATOM 926 C ASN B 21 -0.281 -2.339 4.005 1.00 0.00 C ATOM 927 O ASN B 21 -1.323 -1.979 4.552 1.00 0.00 O ATOM 928 CB ASN B 21 -0.134 -2.915 1.601 1.00 0.00 C ATOM 929 CG ASN B 21 -0.704 -2.355 0.297 1.00 0.00 C ATOM 930 OD1 ASN B 21 -1.472 -2.996 -0.401 1.00 0.00 O ATOM 931 ND2 ASN B 21 -0.285 -1.125 0.008 1.00 0.00 N ATOM 0 H ASN B 21 2.087 -1.876 1.976 1.00 0.00 H new ATOM 0 HA ASN B 21 -0.515 -0.935 2.360 1.00 0.00 H new ATOM 0 HB2 ASN B 21 0.806 -3.428 1.400 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -0.820 -3.655 2.013 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -0.608 -0.663 -0.842 1.00 0.00 H new ATOM 0 HD22 ASN B 21 0.359 -0.645 0.637 1.00 0.00 H new ATOM 938 N TYR B 22 0.586 -3.192 4.529 1.00 0.00 N ATOM 939 CA TYR B 22 0.356 -3.784 5.836 1.00 0.00 C ATOM 940 C TYR B 22 0.581 -2.759 6.949 1.00 0.00 C ATOM 941 O TYR B 22 0.041 -2.899 8.046 1.00 0.00 O ATOM 942 CB TYR B 22 1.386 -4.906 5.977 1.00 0.00 C ATOM 943 CG TYR B 22 0.901 -6.096 6.809 1.00 0.00 C ATOM 944 CD1 TYR B 22 -0.360 -6.617 6.597 1.00 0.00 C ATOM 945 CD2 TYR B 22 1.722 -6.646 7.771 1.00 0.00 C ATOM 946 CE1 TYR B 22 -0.816 -7.736 7.379 1.00 0.00 C ATOM 947 CE2 TYR B 22 1.265 -7.766 8.554 1.00 0.00 C ATOM 948 CZ TYR B 22 0.018 -8.255 8.320 1.00 0.00 C ATOM 949 OH TYR B 22 -0.414 -9.311 9.058 1.00 0.00 O ATOM 0 H TYR B 22 1.449 -3.488 4.073 1.00 0.00 H new ATOM 0 HA TYR B 22 -0.669 -4.144 5.919 1.00 0.00 H new ATOM 0 HB2 TYR B 22 1.662 -5.259 4.983 1.00 0.00 H new ATOM 0 HB3 TYR B 22 2.289 -4.501 6.433 1.00 0.00 H new ATOM 0 HD1 TYR B 22 -1.004 -6.185 5.845 1.00 0.00 H new ATOM 0 HD2 TYR B 22 2.708 -6.237 7.938 1.00 0.00 H new ATOM 0 HE1 TYR B 22 -1.799 -8.155 7.222 1.00 0.00 H new ATOM 0 HE2 TYR B 22 1.898 -8.207 9.309 1.00 0.00 H new ATOM 0 HH TYR B 22 0.287 -9.577 9.690 1.00 0.00 H new ATOM 959 N HIS B 23 1.380 -1.751 6.630 1.00 0.00 N ATOM 960 CA HIS B 23 1.683 -0.702 7.589 1.00 0.00 C ATOM 961 C HIS B 23 0.484 0.240 7.716 1.00 0.00 C ATOM 962 O HIS B 23 0.117 0.638 8.820 1.00 0.00 O ATOM 963 CB HIS B 23 2.973 0.027 7.208 1.00 0.00 C ATOM 964 CG HIS B 23 3.269 1.237 8.061 1.00 0.00 C ATOM 965 ND1 HIS B 23 4.381 1.323 8.880 1.00 0.00 N ATOM 966 CD2 HIS B 23 2.588 2.409 8.211 1.00 0.00 C ATOM 967 CE1 HIS B 23 4.359 2.498 9.492 1.00 0.00 C ATOM 968 NE2 HIS B 23 3.247 3.170 9.076 1.00 0.00 N ATOM 0 H HIS B 23 1.827 -1.639 5.720 1.00 0.00 H new ATOM 0 HA HIS B 23 1.860 -1.142 8.570 1.00 0.00 H new ATOM 0 HB2 HIS B 23 3.808 -0.670 7.282 1.00 0.00 H new ATOM 0 HB3 HIS B 23 2.908 0.337 6.165 1.00 0.00 H new ATOM 0 HD2 HIS B 23 1.668 2.673 7.711 1.00 0.00 H new ATOM 0 HE1 HIS B 23 5.093 2.860 10.197 1.00 0.00 H new ATOM 0 HE2 HIS B 23 2.968 4.103 9.380 1.00 0.00 H new ATOM 976 N LEU B 24 -0.092 0.569 6.569 1.00 0.00 N ATOM 977 CA LEU B 24 -1.241 1.458 6.537 1.00 0.00 C ATOM 978 C LEU B 24 -2.504 0.663 6.879 1.00 0.00 C ATOM 979 O LEU B 24 -3.442 1.204 7.462 1.00 0.00 O ATOM 980 CB LEU B 24 -1.318 2.187 5.194 1.00 0.00 C ATOM 981 CG LEU B 24 -0.404 3.405 5.039 1.00 0.00 C ATOM 982 CD1 LEU B 24 0.282 3.406 3.672 1.00 0.00 C ATOM 983 CD2 LEU B 24 -1.173 4.703 5.296 1.00 0.00 C ATOM 0 H LEU B 24 0.215 0.236 5.655 1.00 0.00 H new ATOM 0 HA LEU B 24 -1.140 2.239 7.291 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -1.080 1.476 4.403 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.348 2.508 5.035 1.00 0.00 H new ATOM 0 HG LEU B 24 0.381 3.341 5.792 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.925 4.282 3.588 1.00 0.00 H new ATOM 0 HD12 LEU B 24 0.883 2.503 3.566 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -0.473 3.434 2.886 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -0.501 5.553 5.180 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.992 4.788 4.582 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.574 4.694 6.309 1.00 0.00 H new ATOM 995 N GLU B 25 -2.486 -0.607 6.500 1.00 0.00 N ATOM 996 CA GLU B 25 -3.618 -1.480 6.759 1.00 0.00 C ATOM 997 C GLU B 25 -3.764 -1.727 8.262 1.00 0.00 C ATOM 998 O GLU B 25 -4.870 -1.671 8.798 1.00 0.00 O ATOM 999 CB GLU B 25 -3.477 -2.799 5.997 1.00 0.00 C ATOM 1000 CG GLU B 25 -4.388 -3.876 6.591 1.00 0.00 C ATOM 1001 CD GLU B 25 -4.199 -5.212 5.870 1.00 0.00 C ATOM 1002 OE1 GLU B 25 -3.481 -6.091 6.371 1.00 0.00 O ATOM 1003 OE2 GLU B 25 -4.833 -5.322 4.752 1.00 0.00 O ATOM 0 H GLU B 25 -1.706 -1.052 6.016 1.00 0.00 H new ATOM 0 HA GLU B 25 -4.523 -0.987 6.402 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.727 -2.645 4.947 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -2.441 -3.134 6.032 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -4.170 -3.997 7.652 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -5.429 -3.561 6.513 1.00 0.00 H new ATOM 1011 N ASN B 26 -2.634 -1.997 8.898 1.00 0.00 N ATOM 1012 CA ASN B 26 -2.623 -2.253 10.328 1.00 0.00 C ATOM 1013 C ASN B 26 -2.714 -0.925 11.081 1.00 0.00 C ATOM 1014 O ASN B 26 -3.253 -0.868 12.185 1.00 0.00 O ATOM 1015 CB ASN B 26 -1.328 -2.949 10.753 1.00 0.00 C ATOM 1016 CG ASN B 26 -1.280 -4.385 10.227 1.00 0.00 C ATOM 1017 OD1 ASN B 26 -2.252 -5.121 10.264 1.00 0.00 O ATOM 1018 ND2 ASN B 26 -0.096 -4.741 9.736 1.00 0.00 N ATOM 0 H ASN B 26 -1.719 -2.044 8.449 1.00 0.00 H new ATOM 0 HA ASN B 26 -3.472 -2.896 10.561 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -0.471 -2.391 10.377 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -1.253 -2.953 11.840 1.00 0.00 H new ATOM 0 HD21 ASN B 26 0.039 -5.680 9.360 1.00 0.00 H new ATOM 0 HD22 ASN B 26 0.677 -4.075 9.735 1.00 0.00 H new ATOM 1025 N GLU B 27 -2.180 0.113 10.452 1.00 0.00 N ATOM 1026 CA GLU B 27 -2.195 1.438 11.049 1.00 0.00 C ATOM 1027 C GLU B 27 -3.620 1.996 11.069 1.00 0.00 C ATOM 1028 O GLU B 27 -4.076 2.505 12.091 1.00 0.00 O ATOM 1029 CB GLU B 27 -1.248 2.383 10.309 1.00 0.00 C ATOM 1030 CG GLU B 27 -1.388 3.817 10.826 1.00 0.00 C ATOM 1031 CD GLU B 27 -0.060 4.569 10.721 1.00 0.00 C ATOM 1032 OE1 GLU B 27 0.937 4.155 11.331 1.00 0.00 O ATOM 1033 OE2 GLU B 27 -0.086 5.620 9.974 1.00 0.00 O ATOM 0 H GLU B 27 -1.735 0.063 9.536 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.844 1.355 12.077 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -0.219 2.046 10.436 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -1.463 2.355 9.241 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -2.153 4.341 10.253 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -1.721 3.802 11.864 1.00 0.00 H new ATOM 1041 N VAL B 28 -4.284 1.878 9.928 1.00 0.00 N ATOM 1042 CA VAL B 28 -5.647 2.365 9.802 1.00 0.00 C ATOM 1043 C VAL B 28 -6.567 1.526 10.693 1.00 0.00 C ATOM 1044 O VAL B 28 -7.402 2.070 11.413 1.00 0.00 O ATOM 1045 CB VAL B 28 -6.071 2.358 8.332 1.00 0.00 C ATOM 1046 CG1 VAL B 28 -6.749 1.038 7.962 1.00 0.00 C ATOM 1047 CG2 VAL B 28 -6.979 3.549 8.019 1.00 0.00 C ATOM 0 H VAL B 28 -3.903 1.452 9.083 1.00 0.00 H new ATOM 0 HA VAL B 28 -5.717 3.398 10.142 1.00 0.00 H new ATOM 0 HB VAL B 28 -5.172 2.453 7.723 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -7.040 1.060 6.912 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -6.056 0.214 8.129 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -7.635 0.898 8.581 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -7.266 3.521 6.968 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -7.873 3.499 8.641 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -6.446 4.477 8.225 1.00 0.00 H new ATOM 1057 N ALA B 29 -6.382 0.217 10.614 1.00 0.00 N ATOM 1058 CA ALA B 29 -7.184 -0.701 11.404 1.00 0.00 C ATOM 1059 C ALA B 29 -7.128 -0.285 12.875 1.00 0.00 C ATOM 1060 O ALA B 29 -8.163 -0.069 13.503 1.00 0.00 O ATOM 1061 CB ALA B 29 -6.688 -2.131 11.183 1.00 0.00 C ATOM 0 H ALA B 29 -5.688 -0.230 10.015 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.228 -0.666 11.092 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -7.289 -2.820 11.776 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.776 -2.388 10.127 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.644 -2.205 11.488 1.00 0.00 H new ATOM 1067 N ARG B 30 -5.908 -0.184 13.382 1.00 0.00 N ATOM 1068 CA ARG B 30 -5.704 0.203 14.768 1.00 0.00 C ATOM 1069 C ARG B 30 -6.111 1.663 14.977 1.00 0.00 C ATOM 1070 O ARG B 30 -6.450 2.062 16.090 1.00 0.00 O ATOM 1071 CB ARG B 30 -4.241 0.025 15.179 1.00 0.00 C ATOM 1072 CG ARG B 30 -4.086 0.092 16.700 1.00 0.00 C ATOM 1073 CD ARG B 30 -2.820 0.856 17.090 1.00 0.00 C ATOM 1074 NE ARG B 30 -2.706 0.928 18.563 1.00 0.00 N ATOM 1075 CZ ARG B 30 -1.803 1.690 19.216 1.00 0.00 C ATOM 1076 NH1 ARG B 30 -0.924 2.452 18.529 1.00 0.00 N ATOM 1077 NH2 ARG B 30 -1.789 1.678 20.535 1.00 0.00 N ATOM 0 H ARG B 30 -5.051 -0.363 12.858 1.00 0.00 H new ATOM 0 HA ARG B 30 -6.326 -0.443 15.388 1.00 0.00 H new ATOM 0 HB2 ARG B 30 -3.871 -0.933 14.814 1.00 0.00 H new ATOM 0 HB3 ARG B 30 -3.632 0.800 14.713 1.00 0.00 H new ATOM 0 HG2 ARG B 30 -4.958 0.579 17.137 1.00 0.00 H new ATOM 0 HG3 ARG B 30 -4.046 -0.917 17.110 1.00 0.00 H new ATOM 0 HD2 ARG B 30 -1.943 0.360 16.673 1.00 0.00 H new ATOM 0 HD3 ARG B 30 -2.848 1.861 16.670 1.00 0.00 H new ATOM 0 HE ARG B 30 -3.350 0.367 19.120 1.00 0.00 H new ATOM 0 HH11 ARG B 30 -0.939 2.454 17.509 1.00 0.00 H new ATOM 0 HH12 ARG B 30 -0.245 3.025 19.030 1.00 0.00 H new ATOM 0 HH21 ARG B 30 -2.454 1.098 21.047 1.00 0.00 H new ATOM 0 HH22 ARG B 30 -1.113 2.248 21.043 1.00 0.00 H new ATOM 1090 N LEU B 31 -6.064 2.419 13.890 1.00 0.00 N ATOM 1091 CA LEU B 31 -6.424 3.825 13.941 1.00 0.00 C ATOM 1092 C LEU B 31 -7.904 3.955 14.309 1.00 0.00 C ATOM 1093 O LEU B 31 -8.269 4.789 15.137 1.00 0.00 O ATOM 1094 CB LEU B 31 -6.054 4.520 12.629 1.00 0.00 C ATOM 1095 CG LEU B 31 -6.454 5.993 12.514 1.00 0.00 C ATOM 1096 CD1 LEU B 31 -5.504 6.884 13.315 1.00 0.00 C ATOM 1097 CD2 LEU B 31 -6.546 6.423 11.048 1.00 0.00 C ATOM 0 H LEU B 31 -5.782 2.084 12.969 1.00 0.00 H new ATOM 0 HA LEU B 31 -5.855 4.336 14.718 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -4.975 4.445 12.493 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -6.517 3.973 11.808 1.00 0.00 H new ATOM 0 HG LEU B 31 -7.447 6.112 12.947 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -5.811 7.925 13.216 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -5.534 6.595 14.366 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -4.489 6.767 12.935 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -6.832 7.473 10.994 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -5.578 6.285 10.567 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -7.294 5.817 10.537 1.00 0.00 H new ATOM 1109 N LYS B 32 -8.714 3.119 13.678 1.00 0.00 N ATOM 1110 CA LYS B 32 -10.145 3.130 13.930 1.00 0.00 C ATOM 1111 C LYS B 32 -10.414 2.606 15.341 1.00 0.00 C ATOM 1112 O LYS B 32 -11.083 3.266 16.135 1.00 0.00 O ATOM 1113 CB LYS B 32 -10.887 2.361 12.836 1.00 0.00 C ATOM 1114 CG LYS B 32 -10.450 2.826 11.445 1.00 0.00 C ATOM 1115 CD LYS B 32 -10.197 1.631 10.522 1.00 0.00 C ATOM 1116 CE LYS B 32 -10.096 2.079 9.062 1.00 0.00 C ATOM 1117 NZ LYS B 32 -11.435 2.404 8.526 1.00 0.00 N ATOM 0 H LYS B 32 -8.407 2.429 12.992 1.00 0.00 H new ATOM 0 HA LYS B 32 -10.531 4.148 13.889 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -10.695 1.293 12.943 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -11.961 2.505 12.950 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -11.219 3.467 11.014 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -9.544 3.426 11.526 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -9.276 1.128 10.816 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -11.004 0.907 10.629 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -9.446 2.951 8.987 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -9.640 1.290 8.464 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -11.386 2.474 7.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -12.106 1.655 8.791 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -11.756 3.311 8.920 1.00 0.00 H new ATOM 1130 N LYS B 33 -9.880 1.423 15.612 1.00 0.00 N ATOM 1131 CA LYS B 33 -10.054 0.803 16.913 1.00 0.00 C ATOM 1132 C LYS B 33 -9.688 1.809 18.006 1.00 0.00 C ATOM 1133 O LYS B 33 -10.506 2.117 18.871 1.00 0.00 O ATOM 1134 CB LYS B 33 -9.266 -0.505 16.993 1.00 0.00 C ATOM 1135 CG LYS B 33 -9.782 -1.389 18.130 1.00 0.00 C ATOM 1136 CD LYS B 33 -9.093 -2.754 18.121 1.00 0.00 C ATOM 1137 CE LYS B 33 -10.120 -3.887 18.172 1.00 0.00 C ATOM 1138 NZ LYS B 33 -10.142 -4.505 19.517 1.00 0.00 N ATOM 0 H LYS B 33 -9.326 0.878 14.951 1.00 0.00 H new ATOM 0 HA LYS B 33 -11.098 0.529 17.068 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -9.346 -1.040 16.047 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.209 -0.288 17.148 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -9.607 -0.896 19.086 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -10.859 -1.521 18.032 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -8.483 -2.851 17.223 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -8.419 -2.831 18.974 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -11.109 -3.501 17.926 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -9.877 -4.640 17.423 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -10.844 -5.272 19.535 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -9.202 -4.891 19.737 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -10.396 -3.787 20.225 1.00 0.00 H new ATOM 1151 N LEU B 34 -8.456 2.294 17.931 1.00 0.00 N ATOM 1152 CA LEU B 34 -7.972 3.259 18.903 1.00 0.00 C ATOM 1153 C LEU B 34 -8.983 4.401 19.029 1.00 0.00 C ATOM 1154 O LEU B 34 -9.226 4.900 20.127 1.00 0.00 O ATOM 1155 CB LEU B 34 -6.560 3.724 18.539 1.00 0.00 C ATOM 1156 CG LEU B 34 -5.833 4.555 19.598 1.00 0.00 C ATOM 1157 CD1 LEU B 34 -5.300 3.664 20.722 1.00 0.00 C ATOM 1158 CD2 LEU B 34 -4.728 5.404 18.966 1.00 0.00 C ATOM 0 H LEU B 34 -7.780 2.036 17.212 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.887 2.799 19.887 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.955 2.845 18.318 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.617 4.310 17.622 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.551 5.243 20.045 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.787 4.279 21.462 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.130 3.142 21.197 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.602 2.936 20.309 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.227 5.985 19.741 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.004 4.753 18.476 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.164 6.080 18.231 1.00 0.00 H new ATOM 1170 N VAL B 35 -9.543 4.781 17.890 1.00 0.00 N ATOM 1171 CA VAL B 35 -10.521 5.855 17.859 1.00 0.00 C ATOM 1172 C VAL B 35 -11.876 5.318 18.325 1.00 0.00 C ATOM 1173 O VAL B 35 -12.257 5.502 19.481 1.00 0.00 O ATOM 1174 CB VAL B 35 -10.572 6.477 16.462 1.00 0.00 C ATOM 1175 CG1 VAL B 35 -11.631 7.579 16.391 1.00 0.00 C ATOM 1176 CG2 VAL B 35 -9.199 7.007 16.048 1.00 0.00 C ATOM 0 H VAL B 35 -9.338 4.364 16.982 1.00 0.00 H new ATOM 0 HA VAL B 35 -10.234 6.653 18.544 1.00 0.00 H new ATOM 0 HB VAL B 35 -10.855 5.695 15.757 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -11.647 8.005 15.388 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -12.610 7.159 16.622 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -11.392 8.360 17.113 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -9.263 7.444 15.051 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -8.874 7.768 16.757 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -8.480 6.188 16.040 1.00 0.00 H new ATOM 1186 N GLY B 36 -12.567 4.666 17.402 1.00 0.00 N ATOM 1187 CA GLY B 36 -13.871 4.101 17.704 1.00 0.00 C ATOM 1188 C GLY B 36 -14.676 5.033 18.610 1.00 0.00 C ATOM 1189 O GLY B 36 -15.293 4.586 19.576 1.00 0.00 O ATOM 0 H GLY B 36 -12.249 4.516 16.445 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -14.419 3.926 16.778 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -13.748 3.133 18.190 1.00 0.00 H new ATOM 1193 N GLU B 37 -14.644 6.313 18.267 1.00 0.00 N ATOM 1194 CA GLU B 37 -15.363 7.313 19.038 1.00 0.00 C ATOM 1195 C GLU B 37 -16.873 7.097 18.912 1.00 0.00 C ATOM 1196 O GLU B 37 -17.315 6.069 18.400 1.00 0.00 O ATOM 1197 CB GLU B 37 -14.974 8.727 18.602 1.00 0.00 C ATOM 1198 CG GLU B 37 -15.355 8.974 17.141 1.00 0.00 C ATOM 1199 CD GLU B 37 -16.308 10.165 17.016 1.00 0.00 C ATOM 1200 OE1 GLU B 37 -17.514 9.974 16.800 1.00 0.00 O ATOM 1201 OE2 GLU B 37 -15.755 11.322 17.155 1.00 0.00 O ATOM 0 H GLU B 37 -14.131 6.680 17.465 1.00 0.00 H new ATOM 0 HA GLU B 37 -15.086 7.202 20.086 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -15.471 9.458 19.240 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -13.901 8.869 18.731 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -14.456 9.160 16.554 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -15.826 8.082 16.729 1.00 0.00 H new ATOM 1209 N ARG B 38 -17.621 8.081 19.386 1.00 0.00 N ATOM 1210 CA ARG B 38 -19.072 8.011 19.333 1.00 0.00 C ATOM 1211 C ARG B 38 -19.530 7.567 17.942 1.00 0.00 C ATOM 1212 O ARG B 38 -20.379 6.686 17.817 1.00 0.00 O ATOM 1213 CB ARG B 38 -19.701 9.366 19.661 1.00 0.00 C ATOM 1214 CG ARG B 38 -21.228 9.279 19.648 1.00 0.00 C ATOM 1215 CD ARG B 38 -21.746 8.546 20.888 1.00 0.00 C ATOM 1216 NE ARG B 38 -22.029 9.516 21.969 1.00 0.00 N ATOM 1217 CZ ARG B 38 -22.687 9.211 23.107 1.00 0.00 C ATOM 1218 NH1 ARG B 38 -23.135 7.955 23.325 1.00 0.00 N ATOM 1219 NH2 ARG B 38 -22.885 10.157 24.006 1.00 0.00 N ATOM 0 H ARG B 38 -17.250 8.932 19.809 1.00 0.00 H new ATOM 0 HA ARG B 38 -19.397 7.283 20.077 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -19.361 9.701 20.641 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -19.369 10.110 18.937 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -21.653 10.282 19.610 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -21.559 8.759 18.749 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -22.651 7.991 20.641 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -21.008 7.819 21.225 1.00 0.00 H new ATOM 0 HE ARG B 38 -21.706 10.476 21.846 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -22.977 7.229 22.627 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -23.631 7.733 24.188 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -22.542 11.102 23.835 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -23.381 9.943 24.871 1.00 0.00 H new TER 1232 ARG B 38