USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 870 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 87 LYS NZ :NH3+ -126:sc= 1.51 (180deg=0.179) USER MOD Set 1.2: B 745 SER OG : rot 180:sc= 0.287 USER MOD Set 2.1: A 67 HIS : no HD1:sc= -0.519 K(o=4.6,f=2.4) USER MOD Set 2.2: A 71 CYS SG : rot 70:sc= 1.26 USER MOD Set 2.3: A 76 CYS SG : rot 127:sc= 0.432 USER MOD Set 2.4: A 81 CYS SG : rot -165:sc= 0.714 USER MOD Set 2.5: A 85 LYS NZ :NH3+ 145:sc= 2.73 (180deg=0.882) USER MOD Set 3.1: A 69 LYS NZ :NH3+ -125:sc= 0.292 (180deg=0) USER MOD Set 3.2: A 70 HIS : no HD1:sc= -0.318 X(o=-0.027,f=-0.12) USER MOD Set 4.1: A 50 THR OG1 : rot 180:sc= 0.0938 USER MOD Set 4.2: A 51 ASN : amide:sc= 0.972 K(o=1.1,f=0.17) USER MOD Set 5.1: A 42 HIS : no HE2:sc= -1.9! K(o=4.9!,f=4.1) USER MOD Set 5.2: A 43 THR OG1 : rot -59:sc= 0.129 USER MOD Set 5.3: A 46 CYS SG : rot -145:sc= 3.25 USER MOD Set 5.4: A 49 LYS NZ :NH3+ 157:sc= 0.134 (180deg=-2.31!) USER MOD Set 5.5: A 54 CYS SG : rot 162:sc= 2.04 USER MOD Set 5.6: A 57 CYS SG : rot 96:sc= 1.27 USER MOD Set 6.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 36 MET CE :methyl 161:sc= -0.218 (180deg=-0.645) USER MOD Set 7.1: A 19 HIS :FLIP no HE2:sc= -0.33 F(o=5.8,f=8.6) USER MOD Set 7.2: A 23 CYS SG : rot 100:sc= 1.13 USER MOD Set 7.3: A 25 ASN : amide:sc= 1.3 K(o=8.6,f=4.8) USER MOD Set 7.4: A 28 CYS SG : rot 129:sc= 2.13 USER MOD Set 7.5: A 33 CYS SG : rot -164:sc= 1.24 USER MOD Set 7.6: A 37 LYS NZ :NH3+ 165:sc= 3.09 (180deg=1.12) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 90:sc= 1.2 USER MOD Single : A 11 GLN : amide:sc= -0.0528 K(o=-0.053,f=-0.57) USER MOD Single : A 13 CYS SG : rot 71:sc= 0.065 USER MOD Single : A 15 GLN : amide:sc= -0.0524 X(o=-0.052,f=-0.052) USER MOD Single : A 16 SER OG : rot 75:sc= 0.627 USER MOD Single : A 21 CYS SG : rot 77:sc= 0.325 USER MOD Single : A 22 GLN : amide:sc= 0.893 K(o=0.89,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.0674 X(o=-0.067,f=-0.067) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 1.58 K(o=1.6,f=-4.3!) USER MOD Single : A 35 LYS NZ :NH3+ -143:sc= 0.9 (180deg=0.362) USER MOD Single : A 41 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 1.03 K(o=1,f=-1.4) USER MOD Single : A 64 CYS SG : rot 79:sc= 0.293 USER MOD Single : A 65 CYS SG : rot 150:sc= 0.0749 USER MOD Single : A 66 TYR OH : rot 30:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 74 ASN : amide:sc= 0.13 K(o=0.13,f=-3.4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0.852 K(o=0.85,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.0598 X(o=-0.06,f=-0.014) USER MOD Single : B 722 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.062) USER MOD Single : B 726 MET CE :methyl 172:sc= -0.0323 (180deg=-0.131) USER MOD Single : B 727 SER OG : rot -75:sc= 1.23 USER MOD Single : B 735 SER OG : rot 180:sc= 0 USER MOD Single : B 740 SER OG : rot 180:sc= 0 USER MOD Single : B 746 MET CE :methyl 148:sc= -5.16! (180deg=-5.85!) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 4 50.558 -12.882 27.417 1.00 0.00 N ATOM 44 CA GLU A 4 50.027 -14.252 27.497 1.00 0.00 C ATOM 45 C GLU A 4 48.500 -14.304 27.421 1.00 0.00 C ATOM 46 O GLU A 4 47.978 -15.192 26.755 1.00 0.00 O ATOM 47 CB GLU A 4 50.487 -14.981 28.760 1.00 0.00 C ATOM 48 CG GLU A 4 51.965 -15.363 28.757 1.00 0.00 C ATOM 49 CD GLU A 4 52.405 -16.221 27.555 1.00 0.00 C ATOM 50 OE1 GLU A 4 51.774 -17.267 27.278 1.00 0.00 O ATOM 51 OE2 GLU A 4 53.398 -15.845 26.886 1.00 0.00 O ATOM 0 HA GLU A 4 50.434 -14.761 26.623 1.00 0.00 H new ATOM 0 HB2 GLU A 4 50.288 -14.348 29.625 1.00 0.00 H new ATOM 0 HB3 GLU A 4 49.890 -15.884 28.883 1.00 0.00 H new ATOM 0 HG2 GLU A 4 52.562 -14.451 28.773 1.00 0.00 H new ATOM 0 HG3 GLU A 4 52.188 -15.907 29.675 1.00 0.00 H new ATOM 58 N SER A 5 47.772 -13.351 28.022 1.00 0.00 N ATOM 59 CA SER A 5 46.302 -13.315 27.908 1.00 0.00 C ATOM 60 C SER A 5 45.855 -13.272 26.442 1.00 0.00 C ATOM 61 O SER A 5 44.847 -13.888 26.086 1.00 0.00 O ATOM 62 CB SER A 5 45.702 -12.125 28.666 1.00 0.00 C ATOM 63 OG SER A 5 45.868 -12.278 30.066 1.00 0.00 O ATOM 0 H SER A 5 48.170 -12.601 28.587 1.00 0.00 H new ATOM 0 HA SER A 5 45.932 -14.235 28.361 1.00 0.00 H new ATOM 0 HB2 SER A 5 46.180 -11.202 28.338 1.00 0.00 H new ATOM 0 HB3 SER A 5 44.642 -12.036 28.430 1.00 0.00 H new ATOM 0 HG SER A 5 45.479 -11.506 30.528 1.00 0.00 H new ATOM 69 N ARG A 6 46.634 -12.613 25.567 1.00 0.00 N ATOM 70 CA ARG A 6 46.389 -12.589 24.121 1.00 0.00 C ATOM 71 C ARG A 6 46.855 -13.893 23.466 1.00 0.00 C ATOM 72 O ARG A 6 46.078 -14.506 22.742 1.00 0.00 O ATOM 73 CB ARG A 6 47.091 -11.397 23.450 1.00 0.00 C ATOM 74 CG ARG A 6 46.945 -10.049 24.179 1.00 0.00 C ATOM 75 CD ARG A 6 47.352 -8.939 23.206 1.00 0.00 C ATOM 76 NE ARG A 6 47.836 -7.711 23.866 1.00 0.00 N ATOM 77 CZ ARG A 6 48.519 -6.750 23.261 1.00 0.00 C ATOM 78 NH1 ARG A 6 48.680 -6.736 21.970 1.00 0.00 N ATOM 79 NH2 ARG A 6 49.057 -5.781 23.942 1.00 0.00 N ATOM 0 H ARG A 6 47.456 -12.079 25.849 1.00 0.00 H new ATOM 0 HA ARG A 6 45.313 -12.482 23.980 1.00 0.00 H new ATOM 0 HB2 ARG A 6 48.152 -11.627 23.357 1.00 0.00 H new ATOM 0 HB3 ARG A 6 46.699 -11.288 22.439 1.00 0.00 H new ATOM 0 HG2 ARG A 6 45.917 -9.905 24.513 1.00 0.00 H new ATOM 0 HG3 ARG A 6 47.575 -10.026 25.068 1.00 0.00 H new ATOM 0 HD2 ARG A 6 48.133 -9.317 22.546 1.00 0.00 H new ATOM 0 HD3 ARG A 6 46.497 -8.689 22.578 1.00 0.00 H new ATOM 0 HE ARG A 6 47.630 -7.594 24.858 1.00 0.00 H new ATOM 0 HH11 ARG A 6 48.276 -7.477 21.398 1.00 0.00 H new ATOM 0 HH12 ARG A 6 49.211 -5.984 21.530 1.00 0.00 H new ATOM 0 HH21 ARG A 6 48.956 -5.753 24.957 1.00 0.00 H new ATOM 0 HH22 ARG A 6 49.580 -5.049 23.461 1.00 0.00 H new ATOM 93 N ARG A 7 48.091 -14.349 23.733 1.00 0.00 N ATOM 94 CA ARG A 7 48.675 -15.581 23.147 1.00 0.00 C ATOM 95 C ARG A 7 47.818 -16.823 23.394 1.00 0.00 C ATOM 96 O ARG A 7 47.536 -17.589 22.476 1.00 0.00 O ATOM 97 CB ARG A 7 50.091 -15.799 23.694 1.00 0.00 C ATOM 98 CG ARG A 7 51.062 -14.696 23.252 1.00 0.00 C ATOM 99 CD ARG A 7 52.336 -14.780 24.082 1.00 0.00 C ATOM 100 NE ARG A 7 53.278 -13.718 23.712 1.00 0.00 N ATOM 101 CZ ARG A 7 54.398 -13.390 24.317 1.00 0.00 C ATOM 102 NH1 ARG A 7 54.841 -13.995 25.382 1.00 0.00 N ATOM 103 NH2 ARG A 7 55.079 -12.403 23.824 1.00 0.00 N ATOM 0 H ARG A 7 48.726 -13.869 24.371 1.00 0.00 H new ATOM 0 HA ARG A 7 48.711 -15.434 22.068 1.00 0.00 H new ATOM 0 HB2 ARG A 7 50.056 -15.834 24.783 1.00 0.00 H new ATOM 0 HB3 ARG A 7 50.464 -16.766 23.355 1.00 0.00 H new ATOM 0 HG2 ARG A 7 51.297 -14.806 22.193 1.00 0.00 H new ATOM 0 HG3 ARG A 7 50.598 -13.717 23.376 1.00 0.00 H new ATOM 0 HD2 ARG A 7 52.090 -14.700 25.141 1.00 0.00 H new ATOM 0 HD3 ARG A 7 52.805 -15.753 23.937 1.00 0.00 H new ATOM 0 HE ARG A 7 53.035 -13.169 22.887 1.00 0.00 H new ATOM 0 HH11 ARG A 7 54.311 -14.766 25.788 1.00 0.00 H new ATOM 0 HH12 ARG A 7 55.718 -13.698 25.810 1.00 0.00 H new ATOM 0 HH21 ARG A 7 54.740 -11.913 22.996 1.00 0.00 H new ATOM 0 HH22 ARG A 7 55.954 -12.117 24.264 1.00 0.00 H new ATOM 117 N LEU A 8 47.380 -16.995 24.637 1.00 0.00 N ATOM 118 CA LEU A 8 46.535 -18.099 25.089 1.00 0.00 C ATOM 119 C LEU A 8 45.136 -18.026 24.450 1.00 0.00 C ATOM 120 O LEU A 8 44.577 -19.065 24.095 1.00 0.00 O ATOM 121 CB LEU A 8 46.519 -18.084 26.635 1.00 0.00 C ATOM 122 CG LEU A 8 47.915 -18.325 27.265 1.00 0.00 C ATOM 123 CD1 LEU A 8 47.942 -17.963 28.752 1.00 0.00 C ATOM 124 CD2 LEU A 8 48.368 -19.779 27.125 1.00 0.00 C ATOM 0 H LEU A 8 47.612 -16.345 25.388 1.00 0.00 H new ATOM 0 HA LEU A 8 46.938 -19.058 24.763 1.00 0.00 H new ATOM 0 HB2 LEU A 8 46.134 -17.124 26.978 1.00 0.00 H new ATOM 0 HB3 LEU A 8 45.830 -18.850 26.992 1.00 0.00 H new ATOM 0 HG LEU A 8 48.596 -17.676 26.715 1.00 0.00 H new ATOM 0 HD11 LEU A 8 48.939 -18.147 29.153 1.00 0.00 H new ATOM 0 HD12 LEU A 8 47.690 -16.910 28.875 1.00 0.00 H new ATOM 0 HD13 LEU A 8 47.216 -18.574 29.288 1.00 0.00 H new ATOM 0 HD21 LEU A 8 49.351 -19.899 27.581 1.00 0.00 H new ATOM 0 HD22 LEU A 8 47.653 -20.433 27.625 1.00 0.00 H new ATOM 0 HD23 LEU A 8 48.423 -20.043 26.069 1.00 0.00 H new ATOM 136 N SER A 9 44.599 -16.819 24.226 1.00 0.00 N ATOM 137 CA SER A 9 43.325 -16.619 23.515 1.00 0.00 C ATOM 138 C SER A 9 43.463 -16.931 22.018 1.00 0.00 C ATOM 139 O SER A 9 42.596 -17.598 21.456 1.00 0.00 O ATOM 140 CB SER A 9 42.794 -15.192 23.694 1.00 0.00 C ATOM 141 OG SER A 9 42.500 -14.933 25.058 1.00 0.00 O ATOM 0 H SER A 9 45.036 -15.950 24.533 1.00 0.00 H new ATOM 0 HA SER A 9 42.610 -17.314 23.956 1.00 0.00 H new ATOM 0 HB2 SER A 9 43.533 -14.476 23.334 1.00 0.00 H new ATOM 0 HB3 SER A 9 41.896 -15.054 23.091 1.00 0.00 H new ATOM 0 HG SER A 9 43.296 -14.573 25.502 1.00 0.00 H new ATOM 147 N ILE A 10 44.571 -16.527 21.376 1.00 0.00 N ATOM 148 CA ILE A 10 44.866 -16.833 19.962 1.00 0.00 C ATOM 149 C ILE A 10 44.871 -18.357 19.750 1.00 0.00 C ATOM 150 O ILE A 10 44.283 -18.839 18.783 1.00 0.00 O ATOM 151 CB ILE A 10 46.184 -16.156 19.507 1.00 0.00 C ATOM 152 CG1 ILE A 10 46.053 -14.616 19.507 1.00 0.00 C ATOM 153 CG2 ILE A 10 46.589 -16.603 18.091 1.00 0.00 C ATOM 154 CD1 ILE A 10 47.396 -13.893 19.682 1.00 0.00 C ATOM 0 H ILE A 10 45.298 -15.972 21.828 1.00 0.00 H new ATOM 0 HA ILE A 10 44.081 -16.417 19.330 1.00 0.00 H new ATOM 0 HB ILE A 10 46.949 -16.463 20.220 1.00 0.00 H new ATOM 0 HG12 ILE A 10 45.596 -14.297 18.570 1.00 0.00 H new ATOM 0 HG13 ILE A 10 45.379 -14.315 20.309 1.00 0.00 H new ATOM 0 HG21 ILE A 10 47.517 -16.108 17.805 1.00 0.00 H new ATOM 0 HG22 ILE A 10 46.734 -17.683 18.078 1.00 0.00 H new ATOM 0 HG23 ILE A 10 45.803 -16.334 17.386 1.00 0.00 H new ATOM 0 HD11 ILE A 10 47.233 -12.815 19.673 1.00 0.00 H new ATOM 0 HD12 ILE A 10 47.845 -14.184 20.632 1.00 0.00 H new ATOM 0 HD13 ILE A 10 48.065 -14.165 18.866 1.00 0.00 H new ATOM 166 N GLN A 11 45.454 -19.136 20.674 1.00 0.00 N ATOM 167 CA GLN A 11 45.417 -20.606 20.619 1.00 0.00 C ATOM 168 C GLN A 11 43.976 -21.159 20.644 1.00 0.00 C ATOM 169 O GLN A 11 43.681 -22.110 19.918 1.00 0.00 O ATOM 170 CB GLN A 11 46.258 -21.213 21.756 1.00 0.00 C ATOM 171 CG GLN A 11 47.770 -21.004 21.582 1.00 0.00 C ATOM 172 CD GLN A 11 48.380 -21.770 20.405 1.00 0.00 C ATOM 173 OE1 GLN A 11 47.774 -22.614 19.758 1.00 0.00 O ATOM 174 NE2 GLN A 11 49.624 -21.501 20.085 1.00 0.00 N ATOM 0 H GLN A 11 45.963 -18.767 21.477 1.00 0.00 H new ATOM 0 HA GLN A 11 45.853 -20.903 19.665 1.00 0.00 H new ATOM 0 HB2 GLN A 11 45.945 -20.773 22.703 1.00 0.00 H new ATOM 0 HB3 GLN A 11 46.052 -22.282 21.818 1.00 0.00 H new ATOM 0 HG2 GLN A 11 47.965 -19.940 21.448 1.00 0.00 H new ATOM 0 HG3 GLN A 11 48.275 -21.308 22.499 1.00 0.00 H new ATOM 0 HE21 GLN A 11 50.146 -20.801 20.612 1.00 0.00 H new ATOM 0 HE22 GLN A 11 50.069 -21.992 19.309 1.00 0.00 H new ATOM 183 N ARG A 12 43.050 -20.550 21.407 1.00 0.00 N ATOM 184 CA ARG A 12 41.625 -20.957 21.405 1.00 0.00 C ATOM 185 C ARG A 12 40.980 -20.677 20.045 1.00 0.00 C ATOM 186 O ARG A 12 40.250 -21.524 19.530 1.00 0.00 O ATOM 187 CB ARG A 12 40.813 -20.274 22.525 1.00 0.00 C ATOM 188 CG ARG A 12 41.341 -20.444 23.959 1.00 0.00 C ATOM 189 CD ARG A 12 41.759 -21.883 24.291 1.00 0.00 C ATOM 190 NE ARG A 12 41.960 -22.089 25.739 1.00 0.00 N ATOM 191 CZ ARG A 12 43.044 -21.839 26.453 1.00 0.00 C ATOM 192 NH1 ARG A 12 44.081 -21.211 25.976 1.00 0.00 N ATOM 193 NH2 ARG A 12 43.106 -22.226 27.695 1.00 0.00 N ATOM 0 H ARG A 12 43.259 -19.774 22.034 1.00 0.00 H new ATOM 0 HA ARG A 12 41.608 -22.030 21.597 1.00 0.00 H new ATOM 0 HB2 ARG A 12 40.760 -19.208 22.306 1.00 0.00 H new ATOM 0 HB3 ARG A 12 39.793 -20.658 22.489 1.00 0.00 H new ATOM 0 HG2 ARG A 12 42.196 -19.783 24.104 1.00 0.00 H new ATOM 0 HG3 ARG A 12 40.570 -20.127 24.661 1.00 0.00 H new ATOM 0 HD2 ARG A 12 40.996 -22.573 23.931 1.00 0.00 H new ATOM 0 HD3 ARG A 12 42.681 -22.123 23.761 1.00 0.00 H new ATOM 0 HE ARG A 12 41.165 -22.471 26.251 1.00 0.00 H new ATOM 0 HH11 ARG A 12 44.081 -20.887 25.009 1.00 0.00 H new ATOM 0 HH12 ARG A 12 44.893 -21.043 26.570 1.00 0.00 H new ATOM 0 HH21 ARG A 12 42.319 -22.721 28.115 1.00 0.00 H new ATOM 0 HH22 ARG A 12 43.941 -22.034 28.248 1.00 0.00 H new ATOM 207 N CYS A 13 41.283 -19.529 19.434 1.00 0.00 N ATOM 208 CA CYS A 13 40.801 -19.184 18.092 1.00 0.00 C ATOM 209 C CYS A 13 41.352 -20.168 17.045 1.00 0.00 C ATOM 210 O CYS A 13 40.601 -20.639 16.195 1.00 0.00 O ATOM 211 CB CYS A 13 41.182 -17.736 17.752 1.00 0.00 C ATOM 212 SG CYS A 13 40.444 -16.579 18.941 1.00 0.00 S ATOM 0 H CYS A 13 41.871 -18.810 19.856 1.00 0.00 H new ATOM 0 HA CYS A 13 39.714 -19.264 18.077 1.00 0.00 H new ATOM 0 HB2 CYS A 13 42.267 -17.629 17.759 1.00 0.00 H new ATOM 0 HB3 CYS A 13 40.845 -17.493 16.744 1.00 0.00 H new ATOM 0 HG CYS A 13 41.046 -16.693 20.088 1.00 0.00 H new ATOM 218 N ILE A 14 42.637 -20.533 17.124 1.00 0.00 N ATOM 219 CA ILE A 14 43.267 -21.526 16.237 1.00 0.00 C ATOM 220 C ILE A 14 42.533 -22.869 16.340 1.00 0.00 C ATOM 221 O ILE A 14 42.126 -23.418 15.317 1.00 0.00 O ATOM 222 CB ILE A 14 44.776 -21.632 16.558 1.00 0.00 C ATOM 223 CG1 ILE A 14 45.490 -20.361 16.047 1.00 0.00 C ATOM 224 CG2 ILE A 14 45.425 -22.880 15.936 1.00 0.00 C ATOM 225 CD1 ILE A 14 46.863 -20.128 16.674 1.00 0.00 C ATOM 0 H ILE A 14 43.279 -20.144 17.814 1.00 0.00 H new ATOM 0 HA ILE A 14 43.185 -21.206 15.198 1.00 0.00 H new ATOM 0 HB ILE A 14 44.881 -21.724 17.639 1.00 0.00 H new ATOM 0 HG12 ILE A 14 45.602 -20.430 14.965 1.00 0.00 H new ATOM 0 HG13 ILE A 14 44.858 -19.496 16.248 1.00 0.00 H new ATOM 0 HG21 ILE A 14 46.484 -22.905 16.192 1.00 0.00 H new ATOM 0 HG22 ILE A 14 44.937 -23.775 16.322 1.00 0.00 H new ATOM 0 HG23 ILE A 14 45.315 -22.846 14.852 1.00 0.00 H new ATOM 0 HD11 ILE A 14 47.300 -19.217 16.265 1.00 0.00 H new ATOM 0 HD12 ILE A 14 46.757 -20.026 17.754 1.00 0.00 H new ATOM 0 HD13 ILE A 14 47.513 -20.974 16.451 1.00 0.00 H new ATOM 237 N GLN A 15 42.295 -23.376 17.557 1.00 0.00 N ATOM 238 CA GLN A 15 41.535 -24.617 17.762 1.00 0.00 C ATOM 239 C GLN A 15 40.103 -24.510 17.206 1.00 0.00 C ATOM 240 O GLN A 15 39.607 -25.460 16.601 1.00 0.00 O ATOM 241 CB GLN A 15 41.501 -24.986 19.254 1.00 0.00 C ATOM 242 CG GLN A 15 42.861 -25.463 19.790 1.00 0.00 C ATOM 243 CD GLN A 15 43.264 -26.820 19.218 1.00 0.00 C ATOM 244 OE1 GLN A 15 44.106 -26.937 18.339 1.00 0.00 O ATOM 245 NE2 GLN A 15 42.665 -27.895 19.684 1.00 0.00 N ATOM 0 H GLN A 15 42.621 -22.942 18.421 1.00 0.00 H new ATOM 0 HA GLN A 15 42.045 -25.407 17.211 1.00 0.00 H new ATOM 0 HB2 GLN A 15 41.175 -24.119 19.829 1.00 0.00 H new ATOM 0 HB3 GLN A 15 40.760 -25.770 19.411 1.00 0.00 H new ATOM 0 HG2 GLN A 15 43.625 -24.726 19.544 1.00 0.00 H new ATOM 0 HG3 GLN A 15 42.819 -25.527 20.877 1.00 0.00 H new ATOM 0 HE21 GLN A 15 41.961 -27.809 20.417 1.00 0.00 H new ATOM 0 HE22 GLN A 15 42.905 -28.814 19.312 1.00 0.00 H new ATOM 254 N SER A 16 39.450 -23.355 17.364 1.00 0.00 N ATOM 255 CA SER A 16 38.098 -23.110 16.838 1.00 0.00 C ATOM 256 C SER A 16 38.066 -23.098 15.302 1.00 0.00 C ATOM 257 O SER A 16 37.156 -23.680 14.712 1.00 0.00 O ATOM 258 CB SER A 16 37.523 -21.802 17.387 1.00 0.00 C ATOM 259 OG SER A 16 37.432 -21.854 18.803 1.00 0.00 O ATOM 0 H SER A 16 39.844 -22.557 17.863 1.00 0.00 H new ATOM 0 HA SER A 16 37.476 -23.939 17.176 1.00 0.00 H new ATOM 0 HB2 SER A 16 38.155 -20.966 17.088 1.00 0.00 H new ATOM 0 HB3 SER A 16 36.536 -21.624 16.960 1.00 0.00 H new ATOM 0 HG SER A 16 38.326 -21.756 19.192 1.00 0.00 H new ATOM 265 N LEU A 17 39.063 -22.499 14.635 1.00 0.00 N ATOM 266 CA LEU A 17 39.163 -22.518 13.169 1.00 0.00 C ATOM 267 C LEU A 17 39.470 -23.943 12.677 1.00 0.00 C ATOM 268 O LEU A 17 38.844 -24.405 11.726 1.00 0.00 O ATOM 269 CB LEU A 17 40.207 -21.492 12.686 1.00 0.00 C ATOM 270 CG LEU A 17 40.327 -21.372 11.148 1.00 0.00 C ATOM 271 CD1 LEU A 17 39.014 -21.045 10.421 1.00 0.00 C ATOM 272 CD2 LEU A 17 41.330 -20.273 10.796 1.00 0.00 C ATOM 0 H LEU A 17 39.819 -21.990 15.094 1.00 0.00 H new ATOM 0 HA LEU A 17 38.206 -22.225 12.738 1.00 0.00 H new ATOM 0 HB2 LEU A 17 39.953 -20.514 13.095 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.181 -21.764 13.093 1.00 0.00 H new ATOM 0 HG LEU A 17 40.646 -22.359 10.812 1.00 0.00 H new ATOM 0 HD11 LEU A 17 39.198 -20.981 9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 17 38.284 -21.830 10.618 1.00 0.00 H new ATOM 0 HD13 LEU A 17 38.627 -20.091 10.780 1.00 0.00 H new ATOM 0 HD21 LEU A 17 41.413 -20.190 9.712 1.00 0.00 H new ATOM 0 HD22 LEU A 17 40.988 -19.323 11.208 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.304 -20.521 11.217 1.00 0.00 H new ATOM 284 N VAL A 18 40.373 -24.669 13.349 1.00 0.00 N ATOM 285 CA VAL A 18 40.690 -26.080 13.048 1.00 0.00 C ATOM 286 C VAL A 18 39.432 -26.950 13.163 1.00 0.00 C ATOM 287 O VAL A 18 39.170 -27.765 12.275 1.00 0.00 O ATOM 288 CB VAL A 18 41.819 -26.593 13.966 1.00 0.00 C ATOM 289 CG1 VAL A 18 41.935 -28.121 13.961 1.00 0.00 C ATOM 290 CG2 VAL A 18 43.175 -26.022 13.533 1.00 0.00 C ATOM 0 H VAL A 18 40.913 -24.292 14.128 1.00 0.00 H new ATOM 0 HA VAL A 18 41.047 -26.145 12.020 1.00 0.00 H new ATOM 0 HB VAL A 18 41.559 -26.259 14.971 1.00 0.00 H new ATOM 0 HG11 VAL A 18 42.745 -28.427 14.624 1.00 0.00 H new ATOM 0 HG12 VAL A 18 40.998 -28.558 14.307 1.00 0.00 H new ATOM 0 HG13 VAL A 18 42.144 -28.467 12.949 1.00 0.00 H new ATOM 0 HG21 VAL A 18 43.956 -26.397 14.194 1.00 0.00 H new ATOM 0 HG22 VAL A 18 43.389 -26.328 12.509 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.146 -24.934 13.587 1.00 0.00 H new ATOM 300 N HIS A 19 38.631 -26.765 14.220 1.00 0.00 N ATOM 301 CA HIS A 19 37.350 -27.455 14.402 1.00 0.00 C ATOM 302 C HIS A 19 36.422 -27.127 13.221 1.00 0.00 C ATOM 303 O HIS A 19 35.964 -28.038 12.535 1.00 0.00 O ATOM 304 CB HIS A 19 36.730 -27.058 15.758 1.00 0.00 C ATOM 305 CG HIS A 19 35.343 -27.615 16.022 1.00 0.00 C ATOM 306 ND1 HIS A 19 34.176 -27.221 15.417 1.00 0.00 N flip ATOM 307 CD2 HIS A 19 34.996 -28.560 16.963 1.00 0.00 C flip ATOM 308 CE1 HIS A 19 33.106 -27.935 15.979 1.00 0.00 C flip ATOM 309 NE2 HIS A 19 33.660 -28.730 16.914 1.00 0.00 N flip ATOM 0 H HIS A 19 38.858 -26.125 14.981 1.00 0.00 H new ATOM 0 HA HIS A 19 37.501 -28.534 14.417 1.00 0.00 H new ATOM 0 HB2 HIS A 19 37.395 -27.390 16.555 1.00 0.00 H new ATOM 0 HB3 HIS A 19 36.684 -25.970 15.814 1.00 0.00 H new ATOM 0 HD1 HIS A 19 34.099 -26.522 14.678 1.00 0.00 H new ATOM 0 HD2 HIS A 19 35.677 -29.075 17.625 1.00 0.00 H new ATOM 0 HE1 HIS A 19 32.061 -27.862 15.717 1.00 0.00 H new ATOM 317 N ALA A 20 36.192 -25.842 12.932 1.00 0.00 N ATOM 318 CA ALA A 20 35.346 -25.387 11.825 1.00 0.00 C ATOM 319 C ALA A 20 35.774 -25.925 10.445 1.00 0.00 C ATOM 320 O ALA A 20 34.915 -26.211 9.608 1.00 0.00 O ATOM 321 CB ALA A 20 35.326 -23.859 11.840 1.00 0.00 C ATOM 0 H ALA A 20 36.596 -25.076 13.471 1.00 0.00 H new ATOM 0 HA ALA A 20 34.346 -25.792 11.979 1.00 0.00 H new ATOM 0 HB1 ALA A 20 34.702 -23.495 11.024 1.00 0.00 H new ATOM 0 HB2 ALA A 20 34.921 -23.510 12.790 1.00 0.00 H new ATOM 0 HB3 ALA A 20 36.341 -23.481 11.717 1.00 0.00 H new ATOM 327 N CYS A 21 37.080 -26.103 10.207 1.00 0.00 N ATOM 328 CA CYS A 21 37.622 -26.668 8.963 1.00 0.00 C ATOM 329 C CYS A 21 37.283 -28.165 8.773 1.00 0.00 C ATOM 330 O CYS A 21 37.463 -28.699 7.676 1.00 0.00 O ATOM 331 CB CYS A 21 39.141 -26.438 8.923 1.00 0.00 C ATOM 332 SG CYS A 21 39.501 -24.674 8.679 1.00 0.00 S ATOM 0 H CYS A 21 37.802 -25.855 10.884 1.00 0.00 H new ATOM 0 HA CYS A 21 37.144 -26.150 8.131 1.00 0.00 H new ATOM 0 HB2 CYS A 21 39.593 -26.784 9.852 1.00 0.00 H new ATOM 0 HB3 CYS A 21 39.584 -27.022 8.116 1.00 0.00 H new ATOM 0 HG CYS A 21 39.328 -24.037 9.799 1.00 0.00 H new ATOM 338 N GLN A 22 36.791 -28.841 9.819 1.00 0.00 N ATOM 339 CA GLN A 22 36.401 -30.260 9.821 1.00 0.00 C ATOM 340 C GLN A 22 34.902 -30.469 10.124 1.00 0.00 C ATOM 341 O GLN A 22 34.331 -31.490 9.731 1.00 0.00 O ATOM 342 CB GLN A 22 37.242 -31.001 10.871 1.00 0.00 C ATOM 343 CG GLN A 22 38.748 -30.992 10.568 1.00 0.00 C ATOM 344 CD GLN A 22 39.547 -31.453 11.780 1.00 0.00 C ATOM 345 OE1 GLN A 22 39.893 -32.617 11.937 1.00 0.00 O ATOM 346 NE2 GLN A 22 39.858 -30.551 12.685 1.00 0.00 N ATOM 0 H GLN A 22 36.647 -28.397 10.726 1.00 0.00 H new ATOM 0 HA GLN A 22 36.581 -30.654 8.821 1.00 0.00 H new ATOM 0 HB2 GLN A 22 37.073 -30.546 11.847 1.00 0.00 H new ATOM 0 HB3 GLN A 22 36.899 -32.034 10.937 1.00 0.00 H new ATOM 0 HG2 GLN A 22 38.957 -31.644 9.720 1.00 0.00 H new ATOM 0 HG3 GLN A 22 39.060 -29.987 10.282 1.00 0.00 H new ATOM 0 HE21 GLN A 22 39.571 -29.580 12.557 1.00 0.00 H new ATOM 0 HE22 GLN A 22 40.386 -30.822 13.515 1.00 0.00 H new ATOM 355 N CYS A 23 34.269 -29.517 10.820 1.00 0.00 N ATOM 356 CA CYS A 23 32.863 -29.529 11.210 1.00 0.00 C ATOM 357 C CYS A 23 31.902 -29.438 10.003 1.00 0.00 C ATOM 358 O CYS A 23 32.287 -29.073 8.884 1.00 0.00 O ATOM 359 CB CYS A 23 32.667 -28.408 12.246 1.00 0.00 C ATOM 360 SG CYS A 23 31.103 -28.589 13.152 1.00 0.00 S ATOM 0 H CYS A 23 34.752 -28.678 11.140 1.00 0.00 H new ATOM 0 HA CYS A 23 32.605 -30.487 11.662 1.00 0.00 H new ATOM 0 HB2 CYS A 23 33.498 -28.416 12.951 1.00 0.00 H new ATOM 0 HB3 CYS A 23 32.685 -27.441 11.743 1.00 0.00 H new ATOM 0 HG CYS A 23 31.333 -29.130 14.312 1.00 0.00 H new ATOM 365 N ARG A 24 30.633 -29.776 10.248 1.00 0.00 N ATOM 366 CA ARG A 24 29.534 -29.818 9.259 1.00 0.00 C ATOM 367 C ARG A 24 28.236 -29.152 9.727 1.00 0.00 C ATOM 368 O ARG A 24 27.364 -28.877 8.903 1.00 0.00 O ATOM 369 CB ARG A 24 29.253 -31.281 8.879 1.00 0.00 C ATOM 370 CG ARG A 24 30.448 -31.960 8.190 1.00 0.00 C ATOM 371 CD ARG A 24 30.043 -33.334 7.651 1.00 0.00 C ATOM 372 NE ARG A 24 31.180 -34.016 7.002 1.00 0.00 N ATOM 373 CZ ARG A 24 31.146 -35.171 6.359 1.00 0.00 C ATOM 374 NH1 ARG A 24 30.047 -35.862 6.232 1.00 0.00 N ATOM 375 NH2 ARG A 24 32.228 -35.661 5.826 1.00 0.00 N ATOM 0 H ARG A 24 30.322 -30.041 11.182 1.00 0.00 H new ATOM 0 HA ARG A 24 29.873 -29.240 8.399 1.00 0.00 H new ATOM 0 HB2 ARG A 24 28.992 -31.841 9.777 1.00 0.00 H new ATOM 0 HB3 ARG A 24 28.388 -31.319 8.217 1.00 0.00 H new ATOM 0 HG2 ARG A 24 30.809 -31.334 7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 24 31.271 -32.068 8.897 1.00 0.00 H new ATOM 0 HD2 ARG A 24 29.666 -33.950 8.467 1.00 0.00 H new ATOM 0 HD3 ARG A 24 29.229 -33.220 6.935 1.00 0.00 H new ATOM 0 HE ARG A 24 32.085 -33.548 7.055 1.00 0.00 H new ATOM 0 HH11 ARG A 24 29.177 -35.515 6.635 1.00 0.00 H new ATOM 0 HH12 ARG A 24 30.058 -36.749 5.729 1.00 0.00 H new ATOM 0 HH21 ARG A 24 33.109 -35.153 5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 24 32.194 -36.552 5.331 1.00 0.00 H new ATOM 389 N ASN A 25 28.096 -28.885 11.026 1.00 0.00 N ATOM 390 CA ASN A 25 26.914 -28.243 11.609 1.00 0.00 C ATOM 391 C ASN A 25 26.745 -26.807 11.076 1.00 0.00 C ATOM 392 O ASN A 25 27.619 -25.964 11.298 1.00 0.00 O ATOM 393 CB ASN A 25 27.061 -28.206 13.139 1.00 0.00 C ATOM 394 CG ASN A 25 27.182 -29.560 13.815 1.00 0.00 C ATOM 395 OD1 ASN A 25 26.520 -30.529 13.465 1.00 0.00 O ATOM 396 ND2 ASN A 25 28.030 -29.659 14.808 1.00 0.00 N ATOM 0 H ASN A 25 28.812 -29.112 11.716 1.00 0.00 H new ATOM 0 HA ASN A 25 26.032 -28.819 11.329 1.00 0.00 H new ATOM 0 HB2 ASN A 25 27.942 -27.615 13.388 1.00 0.00 H new ATOM 0 HB3 ASN A 25 26.199 -27.686 13.557 1.00 0.00 H new ATOM 0 HD21 ASN A 25 28.143 -30.548 15.296 1.00 0.00 H new ATOM 0 HD22 ASN A 25 28.578 -28.847 15.094 1.00 0.00 H new ATOM 403 N ALA A 26 25.626 -26.503 10.411 1.00 0.00 N ATOM 404 CA ALA A 26 25.333 -25.157 9.898 1.00 0.00 C ATOM 405 C ALA A 26 25.273 -24.087 11.011 1.00 0.00 C ATOM 406 O ALA A 26 25.574 -22.914 10.777 1.00 0.00 O ATOM 407 CB ALA A 26 24.019 -25.218 9.109 1.00 0.00 C ATOM 0 H ALA A 26 24.894 -27.185 10.212 1.00 0.00 H new ATOM 0 HA ALA A 26 26.150 -24.848 9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 26 23.783 -24.228 8.719 1.00 0.00 H new ATOM 0 HB2 ALA A 26 24.124 -25.919 8.281 1.00 0.00 H new ATOM 0 HB3 ALA A 26 23.215 -25.551 9.766 1.00 0.00 H new ATOM 413 N ASN A 27 24.899 -24.507 12.224 1.00 0.00 N ATOM 414 CA ASN A 27 24.772 -23.685 13.430 1.00 0.00 C ATOM 415 C ASN A 27 25.277 -24.469 14.665 1.00 0.00 C ATOM 416 O ASN A 27 24.521 -24.726 15.606 1.00 0.00 O ATOM 417 CB ASN A 27 23.317 -23.191 13.557 1.00 0.00 C ATOM 418 CG ASN A 27 22.928 -22.231 12.442 1.00 0.00 C ATOM 419 OD1 ASN A 27 23.233 -21.046 12.474 1.00 0.00 O ATOM 420 ND2 ASN A 27 22.256 -22.706 11.415 1.00 0.00 N ATOM 0 H ASN A 27 24.664 -25.484 12.399 1.00 0.00 H new ATOM 0 HA ASN A 27 25.402 -22.798 13.362 1.00 0.00 H new ATOM 0 HB2 ASN A 27 22.643 -24.048 13.546 1.00 0.00 H new ATOM 0 HB3 ASN A 27 23.187 -22.696 14.520 1.00 0.00 H new ATOM 0 HD21 ASN A 27 21.991 -22.087 10.649 1.00 0.00 H new ATOM 0 HD22 ASN A 27 22.000 -23.693 11.385 1.00 0.00 H new ATOM 427 N CYS A 28 26.552 -24.889 14.627 1.00 0.00 N ATOM 428 CA CYS A 28 27.242 -25.646 15.682 1.00 0.00 C ATOM 429 C CYS A 28 27.067 -25.005 17.076 1.00 0.00 C ATOM 430 O CYS A 28 26.942 -23.783 17.202 1.00 0.00 O ATOM 431 CB CYS A 28 28.727 -25.742 15.287 1.00 0.00 C ATOM 432 SG CYS A 28 29.552 -27.180 16.044 1.00 0.00 S ATOM 0 H CYS A 28 27.155 -24.702 13.826 1.00 0.00 H new ATOM 0 HA CYS A 28 26.804 -26.641 15.764 1.00 0.00 H new ATOM 0 HB2 CYS A 28 28.809 -25.809 14.202 1.00 0.00 H new ATOM 0 HB3 CYS A 28 29.241 -24.830 15.590 1.00 0.00 H new ATOM 0 HG CYS A 28 30.173 -27.858 15.125 1.00 0.00 H new ATOM 437 N SER A 29 27.063 -25.808 18.142 1.00 0.00 N ATOM 438 CA SER A 29 26.880 -25.300 19.510 1.00 0.00 C ATOM 439 C SER A 29 28.016 -24.396 20.012 1.00 0.00 C ATOM 440 O SER A 29 27.814 -23.647 20.974 1.00 0.00 O ATOM 441 CB SER A 29 26.635 -26.454 20.490 1.00 0.00 C ATOM 442 OG SER A 29 27.740 -27.347 20.518 1.00 0.00 O ATOM 0 H SER A 29 27.185 -26.819 18.087 1.00 0.00 H new ATOM 0 HA SER A 29 25.998 -24.662 19.465 1.00 0.00 H new ATOM 0 HB2 SER A 29 26.461 -26.055 21.489 1.00 0.00 H new ATOM 0 HB3 SER A 29 25.734 -26.995 20.201 1.00 0.00 H new ATOM 0 HG SER A 29 27.559 -28.072 21.152 1.00 0.00 H new ATOM 448 N LEU A 30 29.186 -24.404 19.359 1.00 0.00 N ATOM 449 CA LEU A 30 30.299 -23.508 19.686 1.00 0.00 C ATOM 450 C LEU A 30 30.077 -22.132 19.021 1.00 0.00 C ATOM 451 O LEU A 30 29.844 -22.069 17.809 1.00 0.00 O ATOM 452 CB LEU A 30 31.636 -24.120 19.229 1.00 0.00 C ATOM 453 CG LEU A 30 32.226 -25.167 20.192 1.00 0.00 C ATOM 454 CD1 LEU A 30 33.493 -25.761 19.576 1.00 0.00 C ATOM 455 CD2 LEU A 30 32.610 -24.558 21.548 1.00 0.00 C ATOM 0 H LEU A 30 29.386 -25.037 18.585 1.00 0.00 H new ATOM 0 HA LEU A 30 30.339 -23.374 20.767 1.00 0.00 H new ATOM 0 HB2 LEU A 30 31.493 -24.584 18.253 1.00 0.00 H new ATOM 0 HB3 LEU A 30 32.362 -23.317 19.098 1.00 0.00 H new ATOM 0 HG LEU A 30 31.459 -25.925 20.352 1.00 0.00 H new ATOM 0 HD11 LEU A 30 33.914 -26.503 20.255 1.00 0.00 H new ATOM 0 HD12 LEU A 30 33.248 -26.236 18.626 1.00 0.00 H new ATOM 0 HD13 LEU A 30 34.222 -24.968 19.408 1.00 0.00 H new ATOM 0 HD21 LEU A 30 33.021 -25.335 22.192 1.00 0.00 H new ATOM 0 HD22 LEU A 30 33.357 -23.778 21.398 1.00 0.00 H new ATOM 0 HD23 LEU A 30 31.725 -24.128 22.017 1.00 0.00 H new ATOM 467 N PRO A 31 30.169 -21.016 19.774 1.00 0.00 N ATOM 468 CA PRO A 31 29.960 -19.673 19.227 1.00 0.00 C ATOM 469 C PRO A 31 31.007 -19.296 18.169 1.00 0.00 C ATOM 470 O PRO A 31 30.663 -18.683 17.155 1.00 0.00 O ATOM 471 CB PRO A 31 29.984 -18.730 20.437 1.00 0.00 C ATOM 472 CG PRO A 31 30.795 -19.491 21.487 1.00 0.00 C ATOM 473 CD PRO A 31 30.457 -20.948 21.200 1.00 0.00 C ATOM 0 HA PRO A 31 29.012 -19.609 18.693 1.00 0.00 H new ATOM 0 HB2 PRO A 31 30.448 -17.776 20.189 1.00 0.00 H new ATOM 0 HB3 PRO A 31 28.977 -18.512 20.792 1.00 0.00 H new ATOM 0 HG2 PRO A 31 31.863 -19.299 21.388 1.00 0.00 H new ATOM 0 HG3 PRO A 31 30.512 -19.204 22.500 1.00 0.00 H new ATOM 0 HD2 PRO A 31 31.289 -21.601 21.462 1.00 0.00 H new ATOM 0 HD3 PRO A 31 29.599 -21.273 21.788 1.00 0.00 H new ATOM 481 N SER A 32 32.275 -19.679 18.371 1.00 0.00 N ATOM 482 CA SER A 32 33.340 -19.393 17.404 1.00 0.00 C ATOM 483 C SER A 32 33.219 -20.262 16.146 1.00 0.00 C ATOM 484 O SER A 32 33.323 -19.716 15.060 1.00 0.00 O ATOM 485 CB SER A 32 34.720 -19.506 18.051 1.00 0.00 C ATOM 486 OG SER A 32 35.730 -19.099 17.143 1.00 0.00 O ATOM 0 H SER A 32 32.587 -20.189 19.198 1.00 0.00 H new ATOM 0 HA SER A 32 33.219 -18.360 17.079 1.00 0.00 H new ATOM 0 HB2 SER A 32 34.759 -18.888 18.948 1.00 0.00 H new ATOM 0 HB3 SER A 32 34.898 -20.535 18.364 1.00 0.00 H new ATOM 0 HG SER A 32 36.607 -19.176 17.573 1.00 0.00 H new ATOM 492 N CYS A 33 32.934 -21.567 16.235 1.00 0.00 N ATOM 493 CA CYS A 33 32.734 -22.456 15.074 1.00 0.00 C ATOM 494 C CYS A 33 31.765 -21.857 14.027 1.00 0.00 C ATOM 495 O CYS A 33 32.100 -21.750 12.841 1.00 0.00 O ATOM 496 CB CYS A 33 32.265 -23.825 15.604 1.00 0.00 C ATOM 497 SG CYS A 33 31.942 -25.038 14.281 1.00 0.00 S ATOM 0 H CYS A 33 32.833 -22.047 17.129 1.00 0.00 H new ATOM 0 HA CYS A 33 33.675 -22.576 14.537 1.00 0.00 H new ATOM 0 HB2 CYS A 33 33.023 -24.225 16.277 1.00 0.00 H new ATOM 0 HB3 CYS A 33 31.357 -23.688 16.191 1.00 0.00 H new ATOM 0 HG CYS A 33 31.245 -26.026 14.759 1.00 0.00 H new ATOM 502 N GLN A 34 30.598 -21.366 14.471 1.00 0.00 N ATOM 503 CA GLN A 34 29.637 -20.686 13.593 1.00 0.00 C ATOM 504 C GLN A 34 30.243 -19.456 12.892 1.00 0.00 C ATOM 505 O GLN A 34 29.998 -19.225 11.707 1.00 0.00 O ATOM 506 CB GLN A 34 28.413 -20.217 14.391 1.00 0.00 C ATOM 507 CG GLN A 34 27.535 -21.342 14.951 1.00 0.00 C ATOM 508 CD GLN A 34 26.192 -20.819 15.477 1.00 0.00 C ATOM 509 OE1 GLN A 34 25.620 -19.858 14.971 1.00 0.00 O ATOM 510 NE2 GLN A 34 25.622 -21.432 16.491 1.00 0.00 N ATOM 0 H GLN A 34 30.296 -21.429 15.443 1.00 0.00 H new ATOM 0 HA GLN A 34 29.352 -21.418 12.837 1.00 0.00 H new ATOM 0 HB2 GLN A 34 28.754 -19.596 15.219 1.00 0.00 H new ATOM 0 HB3 GLN A 34 27.800 -19.584 13.749 1.00 0.00 H new ATOM 0 HG2 GLN A 34 27.355 -22.083 14.172 1.00 0.00 H new ATOM 0 HG3 GLN A 34 28.066 -21.849 15.756 1.00 0.00 H new ATOM 0 HE21 GLN A 34 26.080 -22.233 16.926 1.00 0.00 H new ATOM 0 HE22 GLN A 34 24.721 -21.107 16.843 1.00 0.00 H new ATOM 519 N LYS A 35 31.063 -18.678 13.610 1.00 0.00 N ATOM 520 CA LYS A 35 31.742 -17.479 13.107 1.00 0.00 C ATOM 521 C LYS A 35 32.854 -17.861 12.130 1.00 0.00 C ATOM 522 O LYS A 35 32.925 -17.305 11.041 1.00 0.00 O ATOM 523 CB LYS A 35 32.260 -16.700 14.330 1.00 0.00 C ATOM 524 CG LYS A 35 32.782 -15.292 14.025 1.00 0.00 C ATOM 525 CD LYS A 35 33.258 -14.642 15.338 1.00 0.00 C ATOM 526 CE LYS A 35 33.727 -13.197 15.127 1.00 0.00 C ATOM 527 NZ LYS A 35 32.599 -12.263 14.866 1.00 0.00 N ATOM 0 H LYS A 35 31.278 -18.873 14.588 1.00 0.00 H new ATOM 0 HA LYS A 35 31.061 -16.843 12.542 1.00 0.00 H new ATOM 0 HB2 LYS A 35 31.455 -16.623 15.061 1.00 0.00 H new ATOM 0 HB3 LYS A 35 33.060 -17.275 14.797 1.00 0.00 H new ATOM 0 HG2 LYS A 35 33.603 -15.341 13.309 1.00 0.00 H new ATOM 0 HG3 LYS A 35 31.997 -14.689 13.569 1.00 0.00 H new ATOM 0 HD2 LYS A 35 32.446 -14.657 16.065 1.00 0.00 H new ATOM 0 HD3 LYS A 35 34.074 -15.230 15.759 1.00 0.00 H new ATOM 0 HE2 LYS A 35 34.274 -12.864 16.009 1.00 0.00 H new ATOM 0 HE3 LYS A 35 34.423 -13.163 14.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 32.892 -11.552 14.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 31.785 -12.796 14.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 32.330 -11.788 15.751 1.00 0.00 H new ATOM 541 N MET A 36 33.669 -18.856 12.471 1.00 0.00 N ATOM 542 CA MET A 36 34.759 -19.388 11.654 1.00 0.00 C ATOM 543 C MET A 36 34.262 -19.906 10.303 1.00 0.00 C ATOM 544 O MET A 36 34.891 -19.649 9.276 1.00 0.00 O ATOM 545 CB MET A 36 35.476 -20.493 12.438 1.00 0.00 C ATOM 546 CG MET A 36 36.218 -19.954 13.664 1.00 0.00 C ATOM 547 SD MET A 36 37.591 -18.852 13.228 1.00 0.00 S ATOM 548 CE MET A 36 38.444 -18.781 14.818 1.00 0.00 C ATOM 0 H MET A 36 33.584 -19.337 13.367 1.00 0.00 H new ATOM 0 HA MET A 36 35.458 -18.581 11.437 1.00 0.00 H new ATOM 0 HB2 MET A 36 34.748 -21.239 12.757 1.00 0.00 H new ATOM 0 HB3 MET A 36 36.184 -20.999 11.782 1.00 0.00 H new ATOM 0 HG2 MET A 36 35.515 -19.417 14.301 1.00 0.00 H new ATOM 0 HG3 MET A 36 36.601 -20.791 14.248 1.00 0.00 H new ATOM 0 HE1 MET A 36 39.468 -18.439 14.667 1.00 0.00 H new ATOM 0 HE2 MET A 36 37.924 -18.088 15.479 1.00 0.00 H new ATOM 0 HE3 MET A 36 38.456 -19.773 15.269 1.00 0.00 H new ATOM 558 N LYS A 37 33.101 -20.575 10.280 1.00 0.00 N ATOM 559 CA LYS A 37 32.457 -21.018 9.038 1.00 0.00 C ATOM 560 C LYS A 37 32.066 -19.816 8.173 1.00 0.00 C ATOM 561 O LYS A 37 32.394 -19.798 6.991 1.00 0.00 O ATOM 562 CB LYS A 37 31.242 -21.901 9.365 1.00 0.00 C ATOM 563 CG LYS A 37 31.693 -23.304 9.799 1.00 0.00 C ATOM 564 CD LYS A 37 30.567 -24.066 10.499 1.00 0.00 C ATOM 565 CE LYS A 37 31.066 -25.464 10.867 1.00 0.00 C ATOM 566 NZ LYS A 37 30.336 -25.992 12.028 1.00 0.00 N ATOM 0 H LYS A 37 32.583 -20.824 11.123 1.00 0.00 H new ATOM 0 HA LYS A 37 33.164 -21.615 8.462 1.00 0.00 H new ATOM 0 HB2 LYS A 37 30.654 -21.440 10.159 1.00 0.00 H new ATOM 0 HB3 LYS A 37 30.594 -21.976 8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 37 32.026 -23.866 8.926 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.548 -23.221 10.470 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.251 -23.531 11.395 1.00 0.00 H new ATOM 0 HD3 LYS A 37 29.697 -24.136 9.846 1.00 0.00 H new ATOM 0 HE2 LYS A 37 30.940 -26.135 10.017 1.00 0.00 H new ATOM 0 HE3 LYS A 37 32.133 -25.427 11.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 30.501 -27.016 12.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 30.671 -25.521 12.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 29.318 -25.813 11.909 1.00 0.00 H new ATOM 580 N ARG A 38 31.441 -18.778 8.744 1.00 0.00 N ATOM 581 CA ARG A 38 31.052 -17.550 8.016 1.00 0.00 C ATOM 582 C ARG A 38 32.286 -16.798 7.494 1.00 0.00 C ATOM 583 O ARG A 38 32.276 -16.298 6.370 1.00 0.00 O ATOM 584 CB ARG A 38 30.147 -16.686 8.918 1.00 0.00 C ATOM 585 CG ARG A 38 28.799 -17.387 9.195 1.00 0.00 C ATOM 586 CD ARG A 38 28.034 -16.778 10.379 1.00 0.00 C ATOM 587 NE ARG A 38 26.903 -17.648 10.778 1.00 0.00 N ATOM 588 CZ ARG A 38 26.448 -17.859 12.003 1.00 0.00 C ATOM 589 NH1 ARG A 38 26.856 -17.169 13.031 1.00 0.00 N ATOM 590 NH2 ARG A 38 25.571 -18.791 12.239 1.00 0.00 N ATOM 0 H ARG A 38 31.186 -18.761 9.732 1.00 0.00 H new ATOM 0 HA ARG A 38 30.475 -17.814 7.129 1.00 0.00 H new ATOM 0 HB2 ARG A 38 30.655 -16.485 9.861 1.00 0.00 H new ATOM 0 HB3 ARG A 38 29.967 -15.723 8.441 1.00 0.00 H new ATOM 0 HG2 ARG A 38 28.177 -17.331 8.301 1.00 0.00 H new ATOM 0 HG3 ARG A 38 28.980 -18.444 9.392 1.00 0.00 H new ATOM 0 HD2 ARG A 38 28.710 -16.642 11.223 1.00 0.00 H new ATOM 0 HD3 ARG A 38 27.661 -15.790 10.108 1.00 0.00 H new ATOM 0 HE ARG A 38 26.421 -18.139 10.025 1.00 0.00 H new ATOM 0 HH11 ARG A 38 27.552 -16.434 12.908 1.00 0.00 H new ATOM 0 HH12 ARG A 38 26.479 -17.364 13.958 1.00 0.00 H new ATOM 0 HH21 ARG A 38 25.225 -19.371 11.475 1.00 0.00 H new ATOM 0 HH22 ARG A 38 25.230 -18.942 13.188 1.00 0.00 H new ATOM 604 N VAL A 39 33.365 -16.774 8.277 1.00 0.00 N ATOM 605 CA VAL A 39 34.668 -16.176 7.937 1.00 0.00 C ATOM 606 C VAL A 39 35.334 -16.895 6.760 1.00 0.00 C ATOM 607 O VAL A 39 35.641 -16.248 5.757 1.00 0.00 O ATOM 608 CB VAL A 39 35.582 -16.194 9.177 1.00 0.00 C ATOM 609 CG1 VAL A 39 37.037 -15.840 8.891 1.00 0.00 C ATOM 610 CG2 VAL A 39 35.127 -15.163 10.202 1.00 0.00 C ATOM 0 H VAL A 39 33.360 -17.188 9.209 1.00 0.00 H new ATOM 0 HA VAL A 39 34.501 -15.145 7.626 1.00 0.00 H new ATOM 0 HB VAL A 39 35.512 -17.222 9.534 1.00 0.00 H new ATOM 0 HG11 VAL A 39 37.609 -15.877 9.818 1.00 0.00 H new ATOM 0 HG12 VAL A 39 37.452 -16.554 8.180 1.00 0.00 H new ATOM 0 HG13 VAL A 39 37.091 -14.836 8.471 1.00 0.00 H new ATOM 0 HG21 VAL A 39 35.788 -15.195 11.068 1.00 0.00 H new ATOM 0 HG22 VAL A 39 35.160 -14.169 9.757 1.00 0.00 H new ATOM 0 HG23 VAL A 39 34.107 -15.387 10.515 1.00 0.00 H new ATOM 620 N VAL A 40 35.547 -18.218 6.835 1.00 0.00 N ATOM 621 CA VAL A 40 36.173 -18.961 5.724 1.00 0.00 C ATOM 622 C VAL A 40 35.296 -18.883 4.465 1.00 0.00 C ATOM 623 O VAL A 40 35.820 -18.649 3.381 1.00 0.00 O ATOM 624 CB VAL A 40 36.563 -20.403 6.112 1.00 0.00 C ATOM 625 CG1 VAL A 40 35.407 -21.408 6.110 1.00 0.00 C ATOM 626 CG2 VAL A 40 37.656 -20.918 5.168 1.00 0.00 C ATOM 0 H VAL A 40 35.300 -18.792 7.641 1.00 0.00 H new ATOM 0 HA VAL A 40 37.120 -18.476 5.488 1.00 0.00 H new ATOM 0 HB VAL A 40 36.912 -20.335 7.142 1.00 0.00 H new ATOM 0 HG11 VAL A 40 35.780 -22.392 6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 40 34.646 -21.088 6.821 1.00 0.00 H new ATOM 0 HG13 VAL A 40 34.972 -21.460 5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 40 37.927 -21.936 5.447 1.00 0.00 H new ATOM 0 HG22 VAL A 40 37.285 -20.909 4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 40 38.533 -20.276 5.242 1.00 0.00 H new ATOM 636 N GLN A 41 33.965 -18.998 4.596 1.00 0.00 N ATOM 637 CA GLN A 41 32.998 -18.855 3.494 1.00 0.00 C ATOM 638 C GLN A 41 33.105 -17.492 2.803 1.00 0.00 C ATOM 639 O GLN A 41 33.091 -17.439 1.572 1.00 0.00 O ATOM 640 CB GLN A 41 31.565 -19.034 4.012 1.00 0.00 C ATOM 641 CG GLN A 41 31.190 -20.511 4.231 1.00 0.00 C ATOM 642 CD GLN A 41 31.132 -21.296 2.922 1.00 0.00 C ATOM 643 OE1 GLN A 41 32.032 -22.049 2.573 1.00 0.00 O ATOM 644 NE2 GLN A 41 30.089 -21.139 2.132 1.00 0.00 N ATOM 0 H GLN A 41 33.520 -19.198 5.492 1.00 0.00 H new ATOM 0 HA GLN A 41 33.236 -19.630 2.766 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.453 -18.492 4.951 1.00 0.00 H new ATOM 0 HB3 GLN A 41 30.868 -18.588 3.302 1.00 0.00 H new ATOM 0 HG2 GLN A 41 31.919 -20.973 4.897 1.00 0.00 H new ATOM 0 HG3 GLN A 41 30.222 -20.568 4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 41 29.330 -20.516 2.407 1.00 0.00 H new ATOM 0 HE22 GLN A 41 30.041 -21.641 1.245 1.00 0.00 H new ATOM 653 N HIS A 42 33.249 -16.403 3.569 1.00 0.00 N ATOM 654 CA HIS A 42 33.459 -15.074 2.999 1.00 0.00 C ATOM 655 C HIS A 42 34.730 -15.092 2.142 1.00 0.00 C ATOM 656 O HIS A 42 34.690 -14.772 0.955 1.00 0.00 O ATOM 657 CB HIS A 42 33.546 -14.003 4.109 1.00 0.00 C ATOM 658 CG HIS A 42 34.130 -12.701 3.609 1.00 0.00 C ATOM 659 ND1 HIS A 42 33.434 -11.621 3.119 1.00 0.00 N ATOM 660 CD2 HIS A 42 35.458 -12.467 3.350 1.00 0.00 C ATOM 661 CE1 HIS A 42 34.320 -10.783 2.553 1.00 0.00 C ATOM 662 NE2 HIS A 42 35.566 -11.284 2.614 1.00 0.00 N ATOM 0 H HIS A 42 33.223 -16.421 4.589 1.00 0.00 H new ATOM 0 HA HIS A 42 32.609 -14.813 2.369 1.00 0.00 H new ATOM 0 HB2 HIS A 42 32.550 -13.820 4.513 1.00 0.00 H new ATOM 0 HB3 HIS A 42 34.157 -14.381 4.928 1.00 0.00 H new ATOM 0 HD1 HIS A 42 32.425 -11.481 3.175 1.00 0.00 H new ATOM 0 HD2 HIS A 42 36.281 -13.092 3.663 1.00 0.00 H new ATOM 0 HE1 HIS A 42 34.064 -9.833 2.108 1.00 0.00 H new ATOM 670 N THR A 43 35.859 -15.496 2.731 1.00 0.00 N ATOM 671 CA THR A 43 37.158 -15.504 2.053 1.00 0.00 C ATOM 672 C THR A 43 37.164 -16.377 0.799 1.00 0.00 C ATOM 673 O THR A 43 37.725 -15.968 -0.220 1.00 0.00 O ATOM 674 CB THR A 43 38.254 -15.923 3.036 1.00 0.00 C ATOM 675 OG1 THR A 43 38.377 -14.948 4.043 1.00 0.00 O ATOM 676 CG2 THR A 43 39.606 -16.067 2.351 1.00 0.00 C ATOM 0 H THR A 43 35.898 -15.828 3.695 1.00 0.00 H new ATOM 0 HA THR A 43 37.359 -14.489 1.710 1.00 0.00 H new ATOM 0 HB THR A 43 37.967 -16.888 3.453 1.00 0.00 H new ATOM 0 HG1 THR A 43 38.592 -14.083 3.636 1.00 0.00 H new ATOM 0 HG21 THR A 43 40.355 -16.365 3.084 1.00 0.00 H new ATOM 0 HG22 THR A 43 39.540 -16.825 1.571 1.00 0.00 H new ATOM 0 HG23 THR A 43 39.892 -15.114 1.907 1.00 0.00 H new ATOM 684 N LYS A 44 36.494 -17.536 0.857 1.00 0.00 N ATOM 685 CA LYS A 44 36.307 -18.508 -0.235 1.00 0.00 C ATOM 686 C LYS A 44 35.581 -17.932 -1.464 1.00 0.00 C ATOM 687 O LYS A 44 35.669 -18.521 -2.542 1.00 0.00 O ATOM 688 CB LYS A 44 35.543 -19.726 0.325 1.00 0.00 C ATOM 689 CG LYS A 44 36.458 -20.768 0.985 1.00 0.00 C ATOM 690 CD LYS A 44 35.610 -21.806 1.743 1.00 0.00 C ATOM 691 CE LYS A 44 36.437 -22.992 2.263 1.00 0.00 C ATOM 692 NZ LYS A 44 36.860 -23.910 1.170 1.00 0.00 N ATOM 0 H LYS A 44 36.040 -17.841 1.718 1.00 0.00 H new ATOM 0 HA LYS A 44 37.295 -18.795 -0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 44 34.810 -19.382 1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 44 34.988 -20.201 -0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 44 37.064 -21.264 0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 44 37.147 -20.277 1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 44 35.115 -21.319 2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 44 34.826 -22.178 1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 44 37.320 -22.617 2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 44 35.850 -23.548 2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 37.415 -24.694 1.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 36.019 -24.290 0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 37.443 -23.388 0.484 1.00 0.00 H new ATOM 706 N GLY A 45 34.888 -16.798 -1.318 1.00 0.00 N ATOM 707 CA GLY A 45 34.151 -16.116 -2.389 1.00 0.00 C ATOM 708 C GLY A 45 34.555 -14.652 -2.623 1.00 0.00 C ATOM 709 O GLY A 45 34.150 -14.079 -3.639 1.00 0.00 O ATOM 0 H GLY A 45 34.822 -16.313 -0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.293 -16.670 -3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.087 -16.151 -2.157 1.00 0.00 H new ATOM 713 N CYS A 46 35.347 -14.041 -1.732 1.00 0.00 N ATOM 714 CA CYS A 46 35.800 -12.659 -1.861 1.00 0.00 C ATOM 715 C CYS A 46 36.834 -12.508 -2.995 1.00 0.00 C ATOM 716 O CYS A 46 37.574 -13.440 -3.330 1.00 0.00 O ATOM 717 CB CYS A 46 36.261 -12.207 -0.468 1.00 0.00 C ATOM 718 SG CYS A 46 37.363 -10.765 -0.501 1.00 0.00 S ATOM 0 H CYS A 46 35.693 -14.503 -0.891 1.00 0.00 H new ATOM 0 HA CYS A 46 35.001 -11.988 -2.176 1.00 0.00 H new ATOM 0 HB2 CYS A 46 35.385 -11.971 0.137 1.00 0.00 H new ATOM 0 HB3 CYS A 46 36.774 -13.035 0.022 1.00 0.00 H new ATOM 0 HG CYS A 46 38.247 -10.873 0.446 1.00 0.00 H new ATOM 723 N LYS A 47 36.868 -11.307 -3.580 1.00 0.00 N ATOM 724 CA LYS A 47 37.741 -10.902 -4.694 1.00 0.00 C ATOM 725 C LYS A 47 38.669 -9.735 -4.320 1.00 0.00 C ATOM 726 O LYS A 47 39.377 -9.217 -5.188 1.00 0.00 O ATOM 727 CB LYS A 47 36.874 -10.567 -5.930 1.00 0.00 C ATOM 728 CG LYS A 47 35.872 -11.657 -6.360 1.00 0.00 C ATOM 729 CD LYS A 47 36.538 -12.979 -6.783 1.00 0.00 C ATOM 730 CE LYS A 47 35.508 -14.080 -7.079 1.00 0.00 C ATOM 731 NZ LYS A 47 34.708 -13.801 -8.302 1.00 0.00 N ATOM 0 H LYS A 47 36.257 -10.549 -3.276 1.00 0.00 H new ATOM 0 HA LYS A 47 38.398 -11.738 -4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 47 36.320 -9.651 -5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 47 37.537 -10.357 -6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 47 35.187 -11.853 -5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 47 35.273 -11.281 -7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 47 37.149 -12.808 -7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 47 37.209 -13.315 -5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 47 36.024 -15.033 -7.196 1.00 0.00 H new ATOM 0 HE3 LYS A 47 34.837 -14.184 -6.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 34.029 -14.573 -8.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 34.193 -12.906 -8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 35.342 -13.729 -9.123 1.00 0.00 H new ATOM 745 N ARG A 48 38.689 -9.322 -3.043 1.00 0.00 N ATOM 746 CA ARG A 48 39.528 -8.232 -2.522 1.00 0.00 C ATOM 747 C ARG A 48 40.779 -8.786 -1.837 1.00 0.00 C ATOM 748 O ARG A 48 41.885 -8.533 -2.318 1.00 0.00 O ATOM 749 CB ARG A 48 38.714 -7.433 -1.495 1.00 0.00 C ATOM 750 CG ARG A 48 37.494 -6.673 -2.015 1.00 0.00 C ATOM 751 CD ARG A 48 36.567 -6.285 -0.850 1.00 0.00 C ATOM 752 NE ARG A 48 35.986 -7.491 -0.229 1.00 0.00 N ATOM 753 CZ ARG A 48 34.883 -8.111 -0.585 1.00 0.00 C ATOM 754 NH1 ARG A 48 33.919 -7.531 -1.245 1.00 0.00 N ATOM 755 NH2 ARG A 48 34.739 -9.360 -0.287 1.00 0.00 N ATOM 0 H ARG A 48 38.105 -9.750 -2.324 1.00 0.00 H new ATOM 0 HA ARG A 48 39.836 -7.597 -3.353 1.00 0.00 H new ATOM 0 HB2 ARG A 48 38.379 -8.121 -0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 48 39.382 -6.716 -1.018 1.00 0.00 H new ATOM 0 HG2 ARG A 48 37.815 -5.777 -2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 48 36.951 -7.290 -2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 48 37.126 -5.719 -0.105 1.00 0.00 H new ATOM 0 HD3 ARG A 48 35.770 -5.635 -1.212 1.00 0.00 H new ATOM 0 HE ARG A 48 36.495 -7.886 0.562 1.00 0.00 H new ATOM 0 HH11 ARG A 48 34.001 -6.549 -1.510 1.00 0.00 H new ATOM 0 HH12 ARG A 48 33.083 -8.059 -1.497 1.00 0.00 H new ATOM 0 HH21 ARG A 48 35.476 -9.852 0.218 1.00 0.00 H new ATOM 0 HH22 ARG A 48 33.888 -9.854 -0.557 1.00 0.00 H new ATOM 769 N LYS A 49 40.609 -9.532 -0.735 1.00 0.00 N ATOM 770 CA LYS A 49 41.674 -10.076 0.132 1.00 0.00 C ATOM 771 C LYS A 49 42.785 -9.061 0.492 1.00 0.00 C ATOM 772 O LYS A 49 42.600 -7.850 0.356 1.00 0.00 O ATOM 773 CB LYS A 49 42.125 -11.504 -0.284 1.00 0.00 C ATOM 774 CG LYS A 49 42.046 -11.933 -1.759 1.00 0.00 C ATOM 775 CD LYS A 49 40.658 -12.394 -2.246 1.00 0.00 C ATOM 776 CE LYS A 49 40.074 -13.580 -1.465 1.00 0.00 C ATOM 777 NZ LYS A 49 39.179 -13.163 -0.362 1.00 0.00 N ATOM 0 H LYS A 49 39.678 -9.787 -0.404 1.00 0.00 H new ATOM 0 HA LYS A 49 41.222 -10.242 1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 49 43.161 -11.623 0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 49 41.531 -12.213 0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 49 42.370 -11.097 -2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 49 42.756 -12.744 -1.921 1.00 0.00 H new ATOM 0 HD2 LYS A 49 39.966 -11.555 -2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 49 40.728 -12.667 -3.299 1.00 0.00 H new ATOM 0 HE2 LYS A 49 39.521 -14.222 -2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 49 40.890 -14.176 -1.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 38.529 -13.941 -0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 39.748 -12.925 0.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 38.631 -12.330 -0.656 1.00 0.00 H new ATOM 791 N THR A 50 43.938 -9.524 0.982 1.00 0.00 N ATOM 792 CA THR A 50 45.103 -8.705 1.387 1.00 0.00 C ATOM 793 C THR A 50 45.597 -7.736 0.308 1.00 0.00 C ATOM 794 O THR A 50 46.089 -6.653 0.627 1.00 0.00 O ATOM 795 CB THR A 50 46.294 -9.613 1.747 1.00 0.00 C ATOM 796 OG1 THR A 50 46.542 -10.493 0.669 1.00 0.00 O ATOM 797 CG2 THR A 50 46.048 -10.456 2.996 1.00 0.00 C ATOM 0 H THR A 50 44.101 -10.522 1.116 1.00 0.00 H new ATOM 0 HA THR A 50 44.750 -8.122 2.238 1.00 0.00 H new ATOM 0 HB THR A 50 47.143 -8.959 1.946 1.00 0.00 H new ATOM 0 HG1 THR A 50 47.300 -11.074 0.889 1.00 0.00 H new ATOM 0 HG21 THR A 50 46.924 -11.074 3.196 1.00 0.00 H new ATOM 0 HG22 THR A 50 45.864 -9.800 3.847 1.00 0.00 H new ATOM 0 HG23 THR A 50 45.181 -11.097 2.837 1.00 0.00 H new ATOM 805 N ASN A 51 45.476 -8.118 -0.967 1.00 0.00 N ATOM 806 CA ASN A 51 45.936 -7.337 -2.120 1.00 0.00 C ATOM 807 C ASN A 51 44.980 -6.187 -2.504 1.00 0.00 C ATOM 808 O ASN A 51 45.426 -5.183 -3.064 1.00 0.00 O ATOM 809 CB ASN A 51 46.190 -8.307 -3.288 1.00 0.00 C ATOM 810 CG ASN A 51 47.532 -9.022 -3.170 1.00 0.00 C ATOM 811 OD1 ASN A 51 48.412 -8.864 -4.004 1.00 0.00 O ATOM 812 ND2 ASN A 51 47.753 -9.813 -2.142 1.00 0.00 N ATOM 0 H ASN A 51 45.044 -9.003 -1.233 1.00 0.00 H new ATOM 0 HA ASN A 51 46.864 -6.832 -1.852 1.00 0.00 H new ATOM 0 HB2 ASN A 51 45.390 -9.046 -3.323 1.00 0.00 H new ATOM 0 HB3 ASN A 51 46.157 -7.756 -4.228 1.00 0.00 H new ATOM 0 HD21 ASN A 51 48.651 -10.287 -2.047 1.00 0.00 H new ATOM 0 HD22 ASN A 51 47.026 -9.952 -1.440 1.00 0.00 H new ATOM 819 N GLY A 52 43.686 -6.309 -2.189 1.00 0.00 N ATOM 820 CA GLY A 52 42.653 -5.295 -2.443 1.00 0.00 C ATOM 821 C GLY A 52 42.315 -4.457 -1.202 1.00 0.00 C ATOM 822 O GLY A 52 41.862 -3.321 -1.339 1.00 0.00 O ATOM 0 H GLY A 52 43.315 -7.144 -1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 52 42.990 -4.633 -3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 52 41.748 -5.788 -2.799 1.00 0.00 H new ATOM 826 N GLY A 53 42.552 -4.996 0.000 1.00 0.00 N ATOM 827 CA GLY A 53 42.350 -4.315 1.286 1.00 0.00 C ATOM 828 C GLY A 53 41.242 -4.893 2.177 1.00 0.00 C ATOM 829 O GLY A 53 40.852 -4.229 3.140 1.00 0.00 O ATOM 0 H GLY A 53 42.901 -5.948 0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 53 43.288 -4.340 1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 53 42.124 -3.267 1.090 1.00 0.00 H new ATOM 833 N CYS A 54 40.721 -6.090 1.881 1.00 0.00 N ATOM 834 CA CYS A 54 39.673 -6.735 2.673 1.00 0.00 C ATOM 835 C CYS A 54 40.149 -7.023 4.119 1.00 0.00 C ATOM 836 O CYS A 54 41.195 -7.669 4.296 1.00 0.00 O ATOM 837 CB CYS A 54 39.290 -8.031 1.958 1.00 0.00 C ATOM 838 SG CYS A 54 37.574 -8.481 2.303 1.00 0.00 S ATOM 0 H CYS A 54 41.020 -6.641 1.077 1.00 0.00 H new ATOM 0 HA CYS A 54 38.811 -6.074 2.757 1.00 0.00 H new ATOM 0 HB2 CYS A 54 39.429 -7.912 0.883 1.00 0.00 H new ATOM 0 HB3 CYS A 54 39.952 -8.836 2.278 1.00 0.00 H new ATOM 0 HG CYS A 54 37.165 -9.342 1.419 1.00 0.00 H new ATOM 843 N PRO A 55 39.435 -6.561 5.165 1.00 0.00 N ATOM 844 CA PRO A 55 39.854 -6.769 6.545 1.00 0.00 C ATOM 845 C PRO A 55 39.602 -8.197 7.041 1.00 0.00 C ATOM 846 O PRO A 55 40.342 -8.658 7.910 1.00 0.00 O ATOM 847 CB PRO A 55 39.053 -5.751 7.361 1.00 0.00 C ATOM 848 CG PRO A 55 37.744 -5.639 6.581 1.00 0.00 C ATOM 849 CD PRO A 55 38.204 -5.782 5.126 1.00 0.00 C ATOM 0 HA PRO A 55 40.931 -6.632 6.645 1.00 0.00 H new ATOM 0 HB2 PRO A 55 38.886 -6.094 8.382 1.00 0.00 H new ATOM 0 HB3 PRO A 55 39.567 -4.792 7.427 1.00 0.00 H new ATOM 0 HG2 PRO A 55 37.038 -6.421 6.861 1.00 0.00 H new ATOM 0 HG3 PRO A 55 37.249 -4.684 6.757 1.00 0.00 H new ATOM 0 HD2 PRO A 55 37.445 -6.283 4.525 1.00 0.00 H new ATOM 0 HD3 PRO A 55 38.375 -4.805 4.674 1.00 0.00 H new ATOM 857 N VAL A 56 38.592 -8.907 6.514 1.00 0.00 N ATOM 858 CA VAL A 56 38.280 -10.278 6.948 1.00 0.00 C ATOM 859 C VAL A 56 39.385 -11.235 6.521 1.00 0.00 C ATOM 860 O VAL A 56 40.012 -11.846 7.384 1.00 0.00 O ATOM 861 CB VAL A 56 36.921 -10.790 6.433 1.00 0.00 C ATOM 862 CG1 VAL A 56 36.588 -12.122 7.126 1.00 0.00 C ATOM 863 CG2 VAL A 56 35.782 -9.809 6.726 1.00 0.00 C ATOM 0 H VAL A 56 37.975 -8.552 5.783 1.00 0.00 H new ATOM 0 HA VAL A 56 38.213 -10.243 8.035 1.00 0.00 H new ATOM 0 HB VAL A 56 37.008 -10.908 5.353 1.00 0.00 H new ATOM 0 HG11 VAL A 56 35.627 -12.489 6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 56 37.364 -12.853 6.900 1.00 0.00 H new ATOM 0 HG13 VAL A 56 36.537 -11.968 8.204 1.00 0.00 H new ATOM 0 HG21 VAL A 56 34.845 -10.215 6.344 1.00 0.00 H new ATOM 0 HG22 VAL A 56 35.700 -9.658 7.802 1.00 0.00 H new ATOM 0 HG23 VAL A 56 35.989 -8.855 6.241 1.00 0.00 H new ATOM 873 N CYS A 57 39.647 -11.343 5.217 1.00 0.00 N ATOM 874 CA CYS A 57 40.650 -12.210 4.621 1.00 0.00 C ATOM 875 C CYS A 57 42.011 -12.136 5.333 1.00 0.00 C ATOM 876 O CYS A 57 42.531 -13.148 5.808 1.00 0.00 O ATOM 877 CB CYS A 57 40.762 -11.799 3.154 1.00 0.00 C ATOM 878 SG CYS A 57 39.151 -11.902 2.309 1.00 0.00 S ATOM 0 H CYS A 57 39.138 -10.800 4.520 1.00 0.00 H new ATOM 0 HA CYS A 57 40.344 -13.251 4.721 1.00 0.00 H new ATOM 0 HB2 CYS A 57 41.144 -10.780 3.088 1.00 0.00 H new ATOM 0 HB3 CYS A 57 41.482 -12.443 2.648 1.00 0.00 H new ATOM 0 HG CYS A 57 38.590 -10.729 2.299 1.00 0.00 H new ATOM 883 N LYS A 58 42.571 -10.925 5.452 1.00 0.00 N ATOM 884 CA LYS A 58 43.827 -10.622 6.124 1.00 0.00 C ATOM 885 C LYS A 58 43.863 -11.100 7.586 1.00 0.00 C ATOM 886 O LYS A 58 44.924 -11.492 8.078 1.00 0.00 O ATOM 887 CB LYS A 58 43.998 -9.102 5.963 1.00 0.00 C ATOM 888 CG LYS A 58 45.372 -8.645 6.425 1.00 0.00 C ATOM 889 CD LYS A 58 45.731 -7.252 5.880 1.00 0.00 C ATOM 890 CE LYS A 58 47.054 -6.757 6.474 1.00 0.00 C ATOM 891 NZ LYS A 58 47.387 -5.385 6.003 1.00 0.00 N ATOM 0 H LYS A 58 42.132 -10.092 5.060 1.00 0.00 H new ATOM 0 HA LYS A 58 44.664 -11.162 5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 58 43.854 -8.827 4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 58 43.229 -8.585 6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 58 45.400 -8.626 7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 58 46.122 -9.366 6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 58 45.808 -7.291 4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 58 44.934 -6.547 6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 58 46.990 -6.763 7.562 1.00 0.00 H new ATOM 0 HE3 LYS A 58 47.856 -7.442 6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 48.288 -5.082 6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 47.473 -5.385 4.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 46.633 -4.728 6.288 1.00 0.00 H new ATOM 905 N GLN A 59 42.711 -11.131 8.262 1.00 0.00 N ATOM 906 CA GLN A 59 42.574 -11.623 9.638 1.00 0.00 C ATOM 907 C GLN A 59 42.848 -13.135 9.733 1.00 0.00 C ATOM 908 O GLN A 59 43.550 -13.563 10.652 1.00 0.00 O ATOM 909 CB GLN A 59 41.177 -11.272 10.198 1.00 0.00 C ATOM 910 CG GLN A 59 41.219 -10.897 11.689 1.00 0.00 C ATOM 911 CD GLN A 59 41.802 -9.502 11.962 1.00 0.00 C ATOM 912 OE1 GLN A 59 42.492 -8.896 11.155 1.00 0.00 O ATOM 913 NE2 GLN A 59 41.543 -8.921 13.112 1.00 0.00 N ATOM 0 H GLN A 59 41.830 -10.809 7.861 1.00 0.00 H new ATOM 0 HA GLN A 59 43.326 -11.124 10.249 1.00 0.00 H new ATOM 0 HB2 GLN A 59 40.759 -10.441 9.629 1.00 0.00 H new ATOM 0 HB3 GLN A 59 40.509 -12.122 10.059 1.00 0.00 H new ATOM 0 HG2 GLN A 59 40.208 -10.944 12.094 1.00 0.00 H new ATOM 0 HG3 GLN A 59 41.812 -11.639 12.224 1.00 0.00 H new ATOM 0 HE21 GLN A 59 40.970 -9.399 13.807 1.00 0.00 H new ATOM 0 HE22 GLN A 59 41.915 -7.992 13.309 1.00 0.00 H new ATOM 922 N LEU A 60 42.355 -13.936 8.773 1.00 0.00 N ATOM 923 CA LEU A 60 42.633 -15.381 8.720 1.00 0.00 C ATOM 924 C LEU A 60 44.128 -15.613 8.519 1.00 0.00 C ATOM 925 O LEU A 60 44.704 -16.441 9.216 1.00 0.00 O ATOM 926 CB LEU A 60 41.937 -16.127 7.560 1.00 0.00 C ATOM 927 CG LEU A 60 40.409 -16.242 7.569 1.00 0.00 C ATOM 928 CD1 LEU A 60 39.773 -14.889 7.290 1.00 0.00 C ATOM 929 CD2 LEU A 60 39.985 -17.218 6.470 1.00 0.00 C ATOM 0 H LEU A 60 41.757 -13.603 8.017 1.00 0.00 H new ATOM 0 HA LEU A 60 42.253 -15.768 9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 60 42.226 -15.636 6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 60 42.344 -17.138 7.526 1.00 0.00 H new ATOM 0 HG LEU A 60 40.084 -16.594 8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 60 38.688 -14.988 7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 60 40.079 -14.178 8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 60 40.096 -14.530 6.313 1.00 0.00 H new ATOM 0 HD21 LEU A 60 38.899 -17.310 6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 60 40.323 -16.846 5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 60 40.431 -18.195 6.659 1.00 0.00 H new ATOM 941 N ILE A 61 44.748 -14.902 7.566 1.00 0.00 N ATOM 942 CA ILE A 61 46.179 -15.079 7.253 1.00 0.00 C ATOM 943 C ILE A 61 47.049 -14.945 8.504 1.00 0.00 C ATOM 944 O ILE A 61 47.916 -15.789 8.706 1.00 0.00 O ATOM 945 CB ILE A 61 46.706 -14.134 6.146 1.00 0.00 C ATOM 946 CG1 ILE A 61 45.782 -13.961 4.934 1.00 0.00 C ATOM 947 CG2 ILE A 61 48.068 -14.635 5.616 1.00 0.00 C ATOM 948 CD1 ILE A 61 45.681 -15.227 4.093 1.00 0.00 C ATOM 0 H ILE A 61 44.282 -14.196 6.996 1.00 0.00 H new ATOM 0 HA ILE A 61 46.254 -16.094 6.862 1.00 0.00 H new ATOM 0 HB ILE A 61 46.778 -13.165 6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 61 44.787 -13.676 5.277 1.00 0.00 H new ATOM 0 HG13 ILE A 61 46.151 -13.145 4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 61 48.426 -13.961 4.838 1.00 0.00 H new ATOM 0 HG22 ILE A 61 48.789 -14.662 6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 61 47.951 -15.637 5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 61 45.015 -15.050 3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 61 46.670 -15.499 3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 61 45.285 -16.039 4.703 1.00 0.00 H new ATOM 960 N ALA A 62 46.828 -13.939 9.360 1.00 0.00 N ATOM 961 CA ALA A 62 47.609 -13.765 10.594 1.00 0.00 C ATOM 962 C ALA A 62 47.471 -15.002 11.497 1.00 0.00 C ATOM 963 O ALA A 62 48.461 -15.620 11.895 1.00 0.00 O ATOM 964 CB ALA A 62 47.147 -12.484 11.311 1.00 0.00 C ATOM 0 H ALA A 62 46.110 -13.228 9.220 1.00 0.00 H new ATOM 0 HA ALA A 62 48.666 -13.661 10.348 1.00 0.00 H new ATOM 0 HB1 ALA A 62 47.724 -12.351 12.226 1.00 0.00 H new ATOM 0 HB2 ALA A 62 47.301 -11.625 10.657 1.00 0.00 H new ATOM 0 HB3 ALA A 62 46.089 -12.567 11.558 1.00 0.00 H new ATOM 970 N LEU A 63 46.223 -15.384 11.769 1.00 0.00 N ATOM 971 CA LEU A 63 45.845 -16.540 12.583 1.00 0.00 C ATOM 972 C LEU A 63 46.454 -17.849 12.039 1.00 0.00 C ATOM 973 O LEU A 63 46.939 -18.685 12.803 1.00 0.00 O ATOM 974 CB LEU A 63 44.303 -16.536 12.634 1.00 0.00 C ATOM 975 CG LEU A 63 43.710 -17.092 13.939 1.00 0.00 C ATOM 976 CD1 LEU A 63 42.454 -16.299 14.297 1.00 0.00 C ATOM 977 CD2 LEU A 63 43.329 -18.563 13.807 1.00 0.00 C ATOM 0 H LEU A 63 45.414 -14.875 11.413 1.00 0.00 H new ATOM 0 HA LEU A 63 46.245 -16.475 13.595 1.00 0.00 H new ATOM 0 HB2 LEU A 63 43.950 -15.514 12.495 1.00 0.00 H new ATOM 0 HB3 LEU A 63 43.922 -17.122 11.797 1.00 0.00 H new ATOM 0 HG LEU A 63 44.470 -16.999 14.715 1.00 0.00 H new ATOM 0 HD11 LEU A 63 42.029 -16.689 15.222 1.00 0.00 H new ATOM 0 HD12 LEU A 63 42.713 -15.249 14.431 1.00 0.00 H new ATOM 0 HD13 LEU A 63 41.723 -16.393 13.494 1.00 0.00 H new ATOM 0 HD21 LEU A 63 42.914 -18.917 14.751 1.00 0.00 H new ATOM 0 HD22 LEU A 63 42.586 -18.677 13.018 1.00 0.00 H new ATOM 0 HD23 LEU A 63 44.215 -19.147 13.558 1.00 0.00 H new ATOM 989 N CYS A 64 46.481 -18.001 10.712 1.00 0.00 N ATOM 990 CA CYS A 64 47.074 -19.138 10.011 1.00 0.00 C ATOM 991 C CYS A 64 48.612 -19.091 10.021 1.00 0.00 C ATOM 992 O CYS A 64 49.223 -20.137 10.199 1.00 0.00 O ATOM 993 CB CYS A 64 46.529 -19.212 8.579 1.00 0.00 C ATOM 994 SG CYS A 64 44.739 -19.523 8.610 1.00 0.00 S ATOM 0 H CYS A 64 46.077 -17.312 10.077 1.00 0.00 H new ATOM 0 HA CYS A 64 46.790 -20.045 10.545 1.00 0.00 H new ATOM 0 HB2 CYS A 64 46.735 -18.279 8.054 1.00 0.00 H new ATOM 0 HB3 CYS A 64 47.035 -20.006 8.029 1.00 0.00 H new ATOM 0 HG CYS A 64 44.110 -18.414 8.862 1.00 0.00 H new ATOM 1000 N CYS A 65 49.259 -17.925 9.891 1.00 0.00 N ATOM 1001 CA CYS A 65 50.724 -17.785 9.972 1.00 0.00 C ATOM 1002 C CYS A 65 51.228 -18.233 11.352 1.00 0.00 C ATOM 1003 O CYS A 65 52.175 -19.014 11.450 1.00 0.00 O ATOM 1004 CB CYS A 65 51.143 -16.325 9.748 1.00 0.00 C ATOM 1005 SG CYS A 65 50.964 -15.813 8.022 1.00 0.00 S ATOM 0 H CYS A 65 48.777 -17.041 9.725 1.00 0.00 H new ATOM 0 HA CYS A 65 51.161 -18.413 9.196 1.00 0.00 H new ATOM 0 HB2 CYS A 65 50.539 -15.675 10.381 1.00 0.00 H new ATOM 0 HB3 CYS A 65 52.180 -16.196 10.057 1.00 0.00 H new ATOM 0 HG CYS A 65 50.706 -14.540 7.972 1.00 0.00 H new ATOM 1011 N TYR A 66 50.560 -17.755 12.410 1.00 0.00 N ATOM 1012 CA TYR A 66 50.839 -18.074 13.815 1.00 0.00 C ATOM 1013 C TYR A 66 50.746 -19.583 14.100 1.00 0.00 C ATOM 1014 O TYR A 66 51.492 -20.117 14.920 1.00 0.00 O ATOM 1015 CB TYR A 66 49.828 -17.301 14.669 1.00 0.00 C ATOM 1016 CG TYR A 66 50.171 -17.125 16.135 1.00 0.00 C ATOM 1017 CD1 TYR A 66 49.819 -18.110 17.076 1.00 0.00 C ATOM 1018 CD2 TYR A 66 50.729 -15.911 16.573 1.00 0.00 C ATOM 1019 CE1 TYR A 66 49.956 -17.856 18.453 1.00 0.00 C ATOM 1020 CE2 TYR A 66 50.807 -15.623 17.948 1.00 0.00 C ATOM 1021 CZ TYR A 66 50.426 -16.600 18.892 1.00 0.00 C ATOM 1022 OH TYR A 66 50.514 -16.336 20.222 1.00 0.00 O ATOM 0 H TYR A 66 49.778 -17.109 12.305 1.00 0.00 H new ATOM 0 HA TYR A 66 51.861 -17.783 14.056 1.00 0.00 H new ATOM 0 HB2 TYR A 66 49.696 -16.312 14.229 1.00 0.00 H new ATOM 0 HB3 TYR A 66 48.867 -17.810 14.603 1.00 0.00 H new ATOM 0 HD1 TYR A 66 49.442 -19.065 16.740 1.00 0.00 H new ATOM 0 HD2 TYR A 66 51.099 -15.197 15.852 1.00 0.00 H new ATOM 0 HE1 TYR A 66 49.702 -18.621 19.172 1.00 0.00 H new ATOM 0 HE2 TYR A 66 51.157 -14.657 18.280 1.00 0.00 H new ATOM 0 HH TYR A 66 50.689 -17.168 20.710 1.00 0.00 H new ATOM 1032 N HIS A 67 49.849 -20.275 13.392 1.00 0.00 N ATOM 1033 CA HIS A 67 49.670 -21.720 13.474 1.00 0.00 C ATOM 1034 C HIS A 67 50.709 -22.465 12.606 1.00 0.00 C ATOM 1035 O HIS A 67 51.481 -23.268 13.129 1.00 0.00 O ATOM 1036 CB HIS A 67 48.225 -22.045 13.052 1.00 0.00 C ATOM 1037 CG HIS A 67 47.983 -23.521 12.897 1.00 0.00 C ATOM 1038 ND1 HIS A 67 47.604 -24.408 13.881 1.00 0.00 N ATOM 1039 CD2 HIS A 67 48.260 -24.256 11.775 1.00 0.00 C ATOM 1040 CE1 HIS A 67 47.679 -25.649 13.369 1.00 0.00 C ATOM 1041 NE2 HIS A 67 48.100 -25.605 12.094 1.00 0.00 N ATOM 0 H HIS A 67 49.213 -19.831 12.730 1.00 0.00 H new ATOM 0 HA HIS A 67 49.834 -22.061 14.496 1.00 0.00 H new ATOM 0 HB2 HIS A 67 47.535 -21.644 13.795 1.00 0.00 H new ATOM 0 HB3 HIS A 67 48.005 -21.544 12.109 1.00 0.00 H new ATOM 0 HD2 HIS A 67 48.551 -23.861 10.813 1.00 0.00 H new ATOM 0 HE1 HIS A 67 47.435 -26.553 13.907 1.00 0.00 H new ATOM 0 HE2 HIS A 67 48.269 -26.401 11.480 1.00 0.00 H new ATOM 1049 N ALA A 68 50.753 -22.187 11.297 1.00 0.00 N ATOM 1050 CA ALA A 68 51.597 -22.826 10.284 1.00 0.00 C ATOM 1051 C ALA A 68 53.084 -22.928 10.645 1.00 0.00 C ATOM 1052 O ALA A 68 53.724 -23.938 10.344 1.00 0.00 O ATOM 1053 CB ALA A 68 51.410 -22.065 8.967 1.00 0.00 C ATOM 0 H ALA A 68 50.160 -21.462 10.893 1.00 0.00 H new ATOM 0 HA ALA A 68 51.272 -23.863 10.203 1.00 0.00 H new ATOM 0 HB1 ALA A 68 52.028 -22.520 8.193 1.00 0.00 H new ATOM 0 HB2 ALA A 68 50.363 -22.108 8.667 1.00 0.00 H new ATOM 0 HB3 ALA A 68 51.706 -21.025 9.103 1.00 0.00 H new ATOM 1059 N LYS A 69 53.641 -21.900 11.300 1.00 0.00 N ATOM 1060 CA LYS A 69 55.044 -21.889 11.739 1.00 0.00 C ATOM 1061 C LYS A 69 55.374 -23.026 12.704 1.00 0.00 C ATOM 1062 O LYS A 69 56.316 -23.786 12.480 1.00 0.00 O ATOM 1063 CB LYS A 69 55.400 -20.527 12.342 1.00 0.00 C ATOM 1064 CG LYS A 69 54.547 -19.982 13.503 1.00 0.00 C ATOM 1065 CD LYS A 69 54.762 -18.478 13.779 1.00 0.00 C ATOM 1066 CE LYS A 69 56.228 -18.079 14.010 1.00 0.00 C ATOM 1067 NZ LYS A 69 56.789 -18.689 15.248 1.00 0.00 N ATOM 0 H LYS A 69 53.130 -21.051 11.541 1.00 0.00 H new ATOM 0 HA LYS A 69 55.659 -22.056 10.855 1.00 0.00 H new ATOM 0 HB2 LYS A 69 56.432 -20.579 12.688 1.00 0.00 H new ATOM 0 HB3 LYS A 69 55.370 -19.792 11.537 1.00 0.00 H new ATOM 0 HG2 LYS A 69 53.494 -20.155 13.281 1.00 0.00 H new ATOM 0 HG3 LYS A 69 54.778 -20.545 14.407 1.00 0.00 H new ATOM 0 HD2 LYS A 69 54.371 -17.907 12.937 1.00 0.00 H new ATOM 0 HD3 LYS A 69 54.178 -18.195 14.655 1.00 0.00 H new ATOM 0 HE2 LYS A 69 56.826 -18.387 13.152 1.00 0.00 H new ATOM 0 HE3 LYS A 69 56.301 -16.993 14.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 57.172 -17.941 15.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 56.038 -19.200 15.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 57.549 -19.352 14.995 1.00 0.00 H new ATOM 1081 N HIS A 70 54.571 -23.133 13.752 1.00 0.00 N ATOM 1082 CA HIS A 70 54.653 -24.158 14.799 1.00 0.00 C ATOM 1083 C HIS A 70 54.043 -25.515 14.386 1.00 0.00 C ATOM 1084 O HIS A 70 54.282 -26.517 15.068 1.00 0.00 O ATOM 1085 CB HIS A 70 53.977 -23.622 16.071 1.00 0.00 C ATOM 1086 CG HIS A 70 54.719 -22.467 16.704 1.00 0.00 C ATOM 1087 ND1 HIS A 70 56.004 -22.505 17.203 1.00 0.00 N ATOM 1088 CD2 HIS A 70 54.255 -21.193 16.895 1.00 0.00 C ATOM 1089 CE1 HIS A 70 56.311 -21.285 17.672 1.00 0.00 C ATOM 1090 NE2 HIS A 70 55.281 -20.439 17.484 1.00 0.00 N ATOM 0 H HIS A 70 53.805 -22.478 13.909 1.00 0.00 H new ATOM 0 HA HIS A 70 55.709 -24.358 14.981 1.00 0.00 H new ATOM 0 HB2 HIS A 70 52.963 -23.304 15.828 1.00 0.00 H new ATOM 0 HB3 HIS A 70 53.892 -24.431 16.797 1.00 0.00 H new ATOM 0 HD2 HIS A 70 53.271 -20.832 16.637 1.00 0.00 H new ATOM 0 HE1 HIS A 70 57.250 -21.020 18.134 1.00 0.00 H new ATOM 0 HE2 HIS A 70 55.252 -19.448 17.722 1.00 0.00 H new ATOM 1098 N CYS A 71 53.276 -25.561 13.290 1.00 0.00 N ATOM 1099 CA CYS A 71 52.650 -26.792 12.768 1.00 0.00 C ATOM 1100 C CYS A 71 53.692 -27.864 12.387 1.00 0.00 C ATOM 1101 O CYS A 71 54.876 -27.565 12.184 1.00 0.00 O ATOM 1102 CB CYS A 71 51.726 -26.425 11.604 1.00 0.00 C ATOM 1103 SG CYS A 71 50.584 -27.788 11.189 1.00 0.00 S ATOM 0 H CYS A 71 53.067 -24.735 12.730 1.00 0.00 H new ATOM 0 HA CYS A 71 52.052 -27.249 13.557 1.00 0.00 H new ATOM 0 HB2 CYS A 71 51.152 -25.535 11.862 1.00 0.00 H new ATOM 0 HB3 CYS A 71 52.326 -26.174 10.729 1.00 0.00 H new ATOM 0 HG CYS A 71 49.710 -27.927 12.141 1.00 0.00 H new ATOM 1108 N GLN A 72 53.264 -29.125 12.286 1.00 0.00 N ATOM 1109 CA GLN A 72 54.132 -30.278 12.019 1.00 0.00 C ATOM 1110 C GLN A 72 53.602 -31.256 10.947 1.00 0.00 C ATOM 1111 O GLN A 72 54.205 -32.314 10.746 1.00 0.00 O ATOM 1112 CB GLN A 72 54.396 -31.024 13.349 1.00 0.00 C ATOM 1113 CG GLN A 72 55.154 -30.248 14.440 1.00 0.00 C ATOM 1114 CD GLN A 72 56.634 -30.064 14.115 1.00 0.00 C ATOM 1115 OE1 GLN A 72 57.497 -30.830 14.529 1.00 0.00 O ATOM 1116 NE2 GLN A 72 56.984 -29.051 13.357 1.00 0.00 N ATOM 0 H GLN A 72 52.282 -29.380 12.390 1.00 0.00 H new ATOM 0 HA GLN A 72 55.056 -29.880 11.599 1.00 0.00 H new ATOM 0 HB2 GLN A 72 53.436 -31.337 13.759 1.00 0.00 H new ATOM 0 HB3 GLN A 72 54.958 -31.931 13.124 1.00 0.00 H new ATOM 0 HG2 GLN A 72 54.691 -29.270 14.572 1.00 0.00 H new ATOM 0 HG3 GLN A 72 55.058 -30.776 15.389 1.00 0.00 H new ATOM 0 HE21 GLN A 72 56.275 -28.407 13.007 1.00 0.00 H new ATOM 0 HE22 GLN A 72 57.965 -28.908 13.118 1.00 0.00 H new ATOM 1125 N GLU A 73 52.512 -30.936 10.240 1.00 0.00 N ATOM 1126 CA GLU A 73 51.945 -31.813 9.191 1.00 0.00 C ATOM 1127 C GLU A 73 51.736 -31.133 7.827 1.00 0.00 C ATOM 1128 O GLU A 73 51.680 -29.907 7.715 1.00 0.00 O ATOM 1129 CB GLU A 73 50.668 -32.518 9.690 1.00 0.00 C ATOM 1130 CG GLU A 73 49.499 -31.612 10.074 1.00 0.00 C ATOM 1131 CD GLU A 73 48.309 -32.479 10.536 1.00 0.00 C ATOM 1132 OE1 GLU A 73 47.644 -33.107 9.676 1.00 0.00 O ATOM 1133 OE2 GLU A 73 48.068 -32.596 11.764 1.00 0.00 O ATOM 0 H GLU A 73 51.995 -30.067 10.373 1.00 0.00 H new ATOM 0 HA GLU A 73 52.706 -32.569 9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 73 50.329 -33.202 8.912 1.00 0.00 H new ATOM 0 HB3 GLU A 73 50.929 -33.125 10.557 1.00 0.00 H new ATOM 0 HG2 GLU A 73 49.799 -30.932 10.871 1.00 0.00 H new ATOM 0 HG3 GLU A 73 49.206 -30.997 9.223 1.00 0.00 H new ATOM 1140 N ASN A 74 51.610 -31.949 6.774 1.00 0.00 N ATOM 1141 CA ASN A 74 51.424 -31.524 5.375 1.00 0.00 C ATOM 1142 C ASN A 74 50.005 -31.834 4.843 1.00 0.00 C ATOM 1143 O ASN A 74 49.731 -31.698 3.648 1.00 0.00 O ATOM 1144 CB ASN A 74 52.532 -32.160 4.511 1.00 0.00 C ATOM 1145 CG ASN A 74 52.407 -33.670 4.350 1.00 0.00 C ATOM 1146 OD1 ASN A 74 52.057 -34.397 5.269 1.00 0.00 O ATOM 1147 ND2 ASN A 74 52.686 -34.197 3.179 1.00 0.00 N ATOM 0 H ASN A 74 51.635 -32.964 6.873 1.00 0.00 H new ATOM 0 HA ASN A 74 51.512 -30.439 5.321 1.00 0.00 H new ATOM 0 HB2 ASN A 74 52.518 -31.698 3.524 1.00 0.00 H new ATOM 0 HB3 ASN A 74 53.501 -31.932 4.956 1.00 0.00 H new ATOM 0 HD21 ASN A 74 52.610 -35.205 3.042 1.00 0.00 H new ATOM 0 HD22 ASN A 74 52.979 -33.598 2.407 1.00 0.00 H new ATOM 1154 N LYS A 75 49.118 -32.274 5.745 1.00 0.00 N ATOM 1155 CA LYS A 75 47.727 -32.709 5.519 1.00 0.00 C ATOM 1156 C LYS A 75 46.712 -31.966 6.414 1.00 0.00 C ATOM 1157 O LYS A 75 45.546 -32.365 6.494 1.00 0.00 O ATOM 1158 CB LYS A 75 47.696 -34.228 5.778 1.00 0.00 C ATOM 1159 CG LYS A 75 48.494 -35.044 4.739 1.00 0.00 C ATOM 1160 CD LYS A 75 49.142 -36.323 5.296 1.00 0.00 C ATOM 1161 CE LYS A 75 48.221 -37.112 6.231 1.00 0.00 C ATOM 1162 NZ LYS A 75 48.807 -38.428 6.600 1.00 0.00 N ATOM 0 H LYS A 75 49.371 -32.342 6.731 1.00 0.00 H new ATOM 0 HA LYS A 75 47.426 -32.472 4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 75 48.097 -34.428 6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 75 46.660 -34.568 5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 75 47.828 -35.316 3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 75 49.274 -34.410 4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 75 49.439 -36.963 4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 75 50.052 -36.056 5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 75 48.035 -36.531 7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 75 47.257 -37.266 5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 48.155 -38.933 7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 48.961 -38.993 5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 49.715 -38.280 7.085 1.00 0.00 H new ATOM 1176 N CYS A 76 47.167 -30.903 7.082 1.00 0.00 N ATOM 1177 CA CYS A 76 46.418 -30.049 8.005 1.00 0.00 C ATOM 1178 C CYS A 76 45.043 -29.600 7.420 1.00 0.00 C ATOM 1179 O CYS A 76 44.970 -29.279 6.225 1.00 0.00 O ATOM 1180 CB CYS A 76 47.349 -28.861 8.327 1.00 0.00 C ATOM 1181 SG CYS A 76 47.061 -28.190 9.988 1.00 0.00 S ATOM 0 H CYS A 76 48.135 -30.596 6.985 1.00 0.00 H new ATOM 0 HA CYS A 76 46.152 -30.589 8.913 1.00 0.00 H new ATOM 0 HB2 CYS A 76 48.387 -29.183 8.243 1.00 0.00 H new ATOM 0 HB3 CYS A 76 47.198 -28.074 7.588 1.00 0.00 H new ATOM 0 HG CYS A 76 48.186 -28.141 10.637 1.00 0.00 H new ATOM 1186 N PRO A 77 43.933 -29.576 8.191 1.00 0.00 N ATOM 1187 CA PRO A 77 42.609 -29.218 7.669 1.00 0.00 C ATOM 1188 C PRO A 77 42.433 -27.734 7.287 1.00 0.00 C ATOM 1189 O PRO A 77 41.572 -27.421 6.463 1.00 0.00 O ATOM 1190 CB PRO A 77 41.621 -29.632 8.765 1.00 0.00 C ATOM 1191 CG PRO A 77 42.443 -29.520 10.047 1.00 0.00 C ATOM 1192 CD PRO A 77 43.838 -29.948 9.595 1.00 0.00 C ATOM 0 HA PRO A 77 42.444 -29.733 6.723 1.00 0.00 H new ATOM 0 HB2 PRO A 77 40.750 -28.977 8.788 1.00 0.00 H new ATOM 0 HB3 PRO A 77 41.253 -30.646 8.611 1.00 0.00 H new ATOM 0 HG2 PRO A 77 42.440 -28.504 10.442 1.00 0.00 H new ATOM 0 HG3 PRO A 77 42.056 -30.168 10.833 1.00 0.00 H new ATOM 0 HD2 PRO A 77 44.609 -29.451 10.184 1.00 0.00 H new ATOM 0 HD3 PRO A 77 43.979 -31.021 9.725 1.00 0.00 H new ATOM 1200 N VAL A 78 43.223 -26.817 7.857 1.00 0.00 N ATOM 1201 CA VAL A 78 43.162 -25.370 7.564 1.00 0.00 C ATOM 1202 C VAL A 78 43.652 -25.102 6.127 1.00 0.00 C ATOM 1203 O VAL A 78 44.724 -25.595 5.762 1.00 0.00 O ATOM 1204 CB VAL A 78 44.008 -24.587 8.589 1.00 0.00 C ATOM 1205 CG1 VAL A 78 43.949 -23.072 8.357 1.00 0.00 C ATOM 1206 CG2 VAL A 78 43.516 -24.838 10.022 1.00 0.00 C ATOM 0 H VAL A 78 43.936 -27.057 8.546 1.00 0.00 H new ATOM 0 HA VAL A 78 42.129 -25.031 7.643 1.00 0.00 H new ATOM 0 HB VAL A 78 45.030 -24.944 8.457 1.00 0.00 H new ATOM 0 HG11 VAL A 78 44.560 -22.565 9.104 1.00 0.00 H new ATOM 0 HG12 VAL A 78 44.327 -22.841 7.361 1.00 0.00 H new ATOM 0 HG13 VAL A 78 42.917 -22.731 8.441 1.00 0.00 H new ATOM 0 HG21 VAL A 78 44.131 -24.273 10.722 1.00 0.00 H new ATOM 0 HG22 VAL A 78 42.478 -24.518 10.112 1.00 0.00 H new ATOM 0 HG23 VAL A 78 43.589 -25.901 10.251 1.00 0.00 H new ATOM 1216 N PRO A 79 42.923 -24.333 5.286 1.00 0.00 N ATOM 1217 CA PRO A 79 43.321 -24.111 3.892 1.00 0.00 C ATOM 1218 C PRO A 79 44.618 -23.303 3.728 1.00 0.00 C ATOM 1219 O PRO A 79 45.423 -23.601 2.843 1.00 0.00 O ATOM 1220 CB PRO A 79 42.126 -23.413 3.231 1.00 0.00 C ATOM 1221 CG PRO A 79 41.416 -22.714 4.389 1.00 0.00 C ATOM 1222 CD PRO A 79 41.652 -23.669 5.562 1.00 0.00 C ATOM 0 HA PRO A 79 43.558 -25.063 3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 79 42.450 -22.700 2.473 1.00 0.00 H new ATOM 0 HB3 PRO A 79 41.470 -24.129 2.735 1.00 0.00 H new ATOM 0 HG2 PRO A 79 41.834 -21.726 4.582 1.00 0.00 H new ATOM 0 HG3 PRO A 79 40.354 -22.577 4.188 1.00 0.00 H new ATOM 0 HD2 PRO A 79 41.692 -23.126 6.506 1.00 0.00 H new ATOM 0 HD3 PRO A 79 40.842 -24.394 5.645 1.00 0.00 H new ATOM 1230 N PHE A 80 44.848 -22.284 4.561 1.00 0.00 N ATOM 1231 CA PHE A 80 46.048 -21.443 4.461 1.00 0.00 C ATOM 1232 C PHE A 80 47.293 -21.998 5.151 1.00 0.00 C ATOM 1233 O PHE A 80 48.389 -21.633 4.729 1.00 0.00 O ATOM 1234 CB PHE A 80 45.752 -20.030 4.964 1.00 0.00 C ATOM 1235 CG PHE A 80 45.254 -19.144 3.847 1.00 0.00 C ATOM 1236 CD1 PHE A 80 46.173 -18.482 3.007 1.00 0.00 C ATOM 1237 CD2 PHE A 80 43.875 -19.065 3.594 1.00 0.00 C ATOM 1238 CE1 PHE A 80 45.699 -17.738 1.911 1.00 0.00 C ATOM 1239 CE2 PHE A 80 43.403 -18.320 2.500 1.00 0.00 C ATOM 1240 CZ PHE A 80 44.316 -17.656 1.659 1.00 0.00 C ATOM 0 H PHE A 80 44.216 -22.019 5.317 1.00 0.00 H new ATOM 0 HA PHE A 80 46.293 -21.428 3.399 1.00 0.00 H new ATOM 0 HB2 PHE A 80 45.006 -20.073 5.757 1.00 0.00 H new ATOM 0 HB3 PHE A 80 46.654 -19.599 5.398 1.00 0.00 H new ATOM 0 HD1 PHE A 80 47.233 -18.546 3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 80 43.177 -19.577 4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 80 46.397 -17.229 1.262 1.00 0.00 H new ATOM 0 HE2 PHE A 80 42.343 -18.257 2.305 1.00 0.00 H new ATOM 0 HZ PHE A 80 43.955 -17.082 0.818 1.00 0.00 H new ATOM 1250 N CYS A 81 47.155 -22.864 6.163 1.00 0.00 N ATOM 1251 CA CYS A 81 48.291 -23.442 6.886 1.00 0.00 C ATOM 1252 C CYS A 81 49.363 -23.983 5.924 1.00 0.00 C ATOM 1253 O CYS A 81 50.506 -23.521 5.946 1.00 0.00 O ATOM 1254 CB CYS A 81 47.776 -24.507 7.868 1.00 0.00 C ATOM 1255 SG CYS A 81 49.136 -25.417 8.671 1.00 0.00 S ATOM 0 H CYS A 81 46.248 -23.184 6.503 1.00 0.00 H new ATOM 0 HA CYS A 81 48.788 -22.661 7.462 1.00 0.00 H new ATOM 0 HB2 CYS A 81 47.161 -24.029 8.630 1.00 0.00 H new ATOM 0 HB3 CYS A 81 47.135 -25.210 7.336 1.00 0.00 H new ATOM 0 HG CYS A 81 48.665 -26.487 9.241 1.00 0.00 H new ATOM 1260 N LEU A 82 48.982 -24.892 5.017 1.00 0.00 N ATOM 1261 CA LEU A 82 49.908 -25.461 4.029 1.00 0.00 C ATOM 1262 C LEU A 82 50.460 -24.400 3.066 1.00 0.00 C ATOM 1263 O LEU A 82 51.669 -24.346 2.835 1.00 0.00 O ATOM 1264 CB LEU A 82 49.255 -26.607 3.229 1.00 0.00 C ATOM 1265 CG LEU A 82 48.826 -27.874 4.000 1.00 0.00 C ATOM 1266 CD1 LEU A 82 49.778 -28.260 5.133 1.00 0.00 C ATOM 1267 CD2 LEU A 82 47.417 -27.766 4.573 1.00 0.00 C ATOM 0 H LEU A 82 48.030 -25.252 4.947 1.00 0.00 H new ATOM 0 HA LEU A 82 50.745 -25.865 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 82 48.374 -26.206 2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 82 49.953 -26.911 2.449 1.00 0.00 H new ATOM 0 HG LEU A 82 48.855 -28.658 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 82 49.410 -29.159 5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 82 50.771 -28.451 4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 82 49.833 -27.446 5.855 1.00 0.00 H new ATOM 0 HD21 LEU A 82 47.169 -28.685 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 82 47.368 -26.923 5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 82 46.705 -27.612 3.762 1.00 0.00 H new ATOM 1279 N ASN A 83 49.591 -23.541 2.523 1.00 0.00 N ATOM 1280 CA ASN A 83 49.978 -22.478 1.591 1.00 0.00 C ATOM 1281 C ASN A 83 51.041 -21.527 2.184 1.00 0.00 C ATOM 1282 O ASN A 83 51.970 -21.134 1.476 1.00 0.00 O ATOM 1283 CB ASN A 83 48.717 -21.744 1.098 1.00 0.00 C ATOM 1284 CG ASN A 83 47.950 -22.562 0.068 1.00 0.00 C ATOM 1285 OD1 ASN A 83 48.346 -22.678 -1.082 1.00 0.00 O ATOM 1286 ND2 ASN A 83 46.843 -23.176 0.418 1.00 0.00 N ATOM 0 H ASN A 83 48.591 -23.565 2.720 1.00 0.00 H new ATOM 0 HA ASN A 83 50.465 -22.931 0.727 1.00 0.00 H new ATOM 0 HB2 ASN A 83 48.068 -21.528 1.946 1.00 0.00 H new ATOM 0 HB3 ASN A 83 49.001 -20.786 0.662 1.00 0.00 H new ATOM 0 HD21 ASN A 83 46.332 -23.736 -0.265 1.00 0.00 H new ATOM 0 HD22 ASN A 83 46.494 -23.093 1.373 1.00 0.00 H new ATOM 1293 N ILE A 84 50.941 -21.194 3.477 1.00 0.00 N ATOM 1294 CA ILE A 84 51.909 -20.356 4.198 1.00 0.00 C ATOM 1295 C ILE A 84 53.159 -21.168 4.566 1.00 0.00 C ATOM 1296 O ILE A 84 54.278 -20.745 4.280 1.00 0.00 O ATOM 1297 CB ILE A 84 51.233 -19.752 5.452 1.00 0.00 C ATOM 1298 CG1 ILE A 84 50.054 -18.833 5.071 1.00 0.00 C ATOM 1299 CG2 ILE A 84 52.223 -18.981 6.352 1.00 0.00 C ATOM 1300 CD1 ILE A 84 49.109 -18.627 6.251 1.00 0.00 C ATOM 0 H ILE A 84 50.168 -21.506 4.065 1.00 0.00 H new ATOM 0 HA ILE A 84 52.233 -19.539 3.553 1.00 0.00 H new ATOM 0 HB ILE A 84 50.855 -20.600 6.023 1.00 0.00 H new ATOM 0 HG12 ILE A 84 50.435 -17.869 4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 84 49.506 -19.268 4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 84 51.693 -18.580 7.216 1.00 0.00 H new ATOM 0 HG22 ILE A 84 53.009 -19.656 6.690 1.00 0.00 H new ATOM 0 HG23 ILE A 84 52.667 -18.162 5.786 1.00 0.00 H new ATOM 0 HD11 ILE A 84 48.289 -17.975 5.951 1.00 0.00 H new ATOM 0 HD12 ILE A 84 48.709 -19.590 6.569 1.00 0.00 H new ATOM 0 HD13 ILE A 84 49.653 -18.169 7.077 1.00 0.00 H new ATOM 1312 N LYS A 85 52.983 -22.353 5.157 1.00 0.00 N ATOM 1313 CA LYS A 85 54.050 -23.284 5.560 1.00 0.00 C ATOM 1314 C LYS A 85 55.045 -23.539 4.429 1.00 0.00 C ATOM 1315 O LYS A 85 56.245 -23.408 4.650 1.00 0.00 O ATOM 1316 CB LYS A 85 53.375 -24.573 6.049 1.00 0.00 C ATOM 1317 CG LYS A 85 54.301 -25.723 6.472 1.00 0.00 C ATOM 1318 CD LYS A 85 53.446 -26.914 6.938 1.00 0.00 C ATOM 1319 CE LYS A 85 52.803 -26.638 8.304 1.00 0.00 C ATOM 1320 NZ LYS A 85 51.450 -27.214 8.428 1.00 0.00 N ATOM 0 H LYS A 85 52.053 -22.709 5.379 1.00 0.00 H new ATOM 0 HA LYS A 85 54.644 -22.851 6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 85 52.737 -24.322 6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 85 52.723 -24.937 5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 85 54.936 -26.020 5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 85 54.962 -25.397 7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 85 52.668 -27.116 6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 85 54.067 -27.808 7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 85 53.440 -27.046 9.089 1.00 0.00 H new ATOM 0 HE3 LYS A 85 52.750 -25.561 8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 51.298 -27.537 9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 50.742 -26.491 8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 51.355 -28.020 7.778 1.00 0.00 H new ATOM 1334 N HIS A 86 54.574 -23.837 3.219 1.00 0.00 N ATOM 1335 CA HIS A 86 55.440 -24.050 2.052 1.00 0.00 C ATOM 1336 C HIS A 86 56.376 -22.857 1.770 1.00 0.00 C ATOM 1337 O HIS A 86 57.558 -23.064 1.487 1.00 0.00 O ATOM 1338 CB HIS A 86 54.573 -24.359 0.827 1.00 0.00 C ATOM 1339 CG HIS A 86 54.028 -25.768 0.804 1.00 0.00 C ATOM 1340 ND1 HIS A 86 54.755 -26.935 0.906 1.00 0.00 N ATOM 1341 CD2 HIS A 86 52.721 -26.130 0.627 1.00 0.00 C ATOM 1342 CE1 HIS A 86 53.904 -27.972 0.808 1.00 0.00 C ATOM 1343 NE2 HIS A 86 52.645 -27.529 0.637 1.00 0.00 N ATOM 0 H HIS A 86 53.580 -23.939 3.016 1.00 0.00 H new ATOM 0 HA HIS A 86 56.089 -24.897 2.274 1.00 0.00 H new ATOM 0 HB2 HIS A 86 53.740 -23.657 0.797 1.00 0.00 H new ATOM 0 HB3 HIS A 86 55.162 -24.193 -0.075 1.00 0.00 H new ATOM 0 HD2 HIS A 86 51.889 -25.453 0.501 1.00 0.00 H new ATOM 0 HE1 HIS A 86 54.190 -29.012 0.859 1.00 0.00 H new ATOM 0 HE2 HIS A 86 51.804 -28.097 0.535 1.00 0.00 H new ATOM 1351 N LYS A 87 55.874 -21.618 1.887 1.00 0.00 N ATOM 1352 CA LYS A 87 56.648 -20.378 1.682 1.00 0.00 C ATOM 1353 C LYS A 87 57.647 -20.116 2.814 1.00 0.00 C ATOM 1354 O LYS A 87 58.761 -19.664 2.555 1.00 0.00 O ATOM 1355 CB LYS A 87 55.694 -19.176 1.541 1.00 0.00 C ATOM 1356 CG LYS A 87 54.810 -19.253 0.283 1.00 0.00 C ATOM 1357 CD LYS A 87 53.686 -18.201 0.282 1.00 0.00 C ATOM 1358 CE LYS A 87 54.205 -16.758 0.304 1.00 0.00 C ATOM 1359 NZ LYS A 87 54.663 -16.312 -1.035 1.00 0.00 N ATOM 0 H LYS A 87 54.899 -21.444 2.132 1.00 0.00 H new ATOM 0 HA LYS A 87 57.222 -20.507 0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 87 55.056 -19.120 2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 87 56.279 -18.257 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 87 55.431 -19.116 -0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 87 54.371 -20.248 0.213 1.00 0.00 H new ATOM 0 HD2 LYS A 87 53.066 -18.343 -0.603 1.00 0.00 H new ATOM 0 HD3 LYS A 87 53.046 -18.363 1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 87 53.416 -16.094 0.657 1.00 0.00 H new ATOM 0 HE3 LYS A 87 55.029 -16.680 1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 55.639 -15.958 -0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 54.630 -17.113 -1.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 54.042 -15.552 -1.379 1.00 0.00 H new ATOM 1373 N LEU A 88 57.263 -20.373 4.066 1.00 0.00 N ATOM 1374 CA LEU A 88 58.115 -20.131 5.241 1.00 0.00 C ATOM 1375 C LEU A 88 59.187 -21.218 5.466 1.00 0.00 C ATOM 1376 O LEU A 88 60.319 -20.883 5.810 1.00 0.00 O ATOM 1377 CB LEU A 88 57.211 -19.982 6.482 1.00 0.00 C ATOM 1378 CG LEU A 88 56.627 -18.572 6.719 1.00 0.00 C ATOM 1379 CD1 LEU A 88 55.977 -17.925 5.492 1.00 0.00 C ATOM 1380 CD2 LEU A 88 55.589 -18.670 7.838 1.00 0.00 C ATOM 0 H LEU A 88 56.347 -20.757 4.299 1.00 0.00 H new ATOM 0 HA LEU A 88 58.674 -19.213 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 88 56.385 -20.687 6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 88 57.784 -20.271 7.363 1.00 0.00 H new ATOM 0 HG LEU A 88 57.468 -17.929 6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 88 55.597 -16.939 5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 88 56.717 -17.826 4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 88 55.153 -18.549 5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 88 55.161 -17.685 8.025 1.00 0.00 H new ATOM 0 HD22 LEU A 88 54.798 -19.359 7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 88 56.067 -19.036 8.747 1.00 0.00 H new ATOM 1704 N ASN B 722 32.631 -7.380 10.597 1.00 0.00 N ATOM 1705 CA ASN B 722 32.637 -7.906 11.963 1.00 0.00 C ATOM 1706 C ASN B 722 32.720 -9.439 12.046 1.00 0.00 C ATOM 1707 O ASN B 722 32.795 -9.988 13.147 1.00 0.00 O ATOM 1708 CB ASN B 722 31.441 -7.330 12.723 1.00 0.00 C ATOM 1709 CG ASN B 722 31.579 -7.470 14.232 1.00 0.00 C ATOM 1710 OD1 ASN B 722 30.739 -8.047 14.910 1.00 0.00 O ATOM 1711 ND2 ASN B 722 32.642 -6.948 14.806 1.00 0.00 N ATOM 0 HA ASN B 722 33.558 -7.577 12.444 1.00 0.00 H new ATOM 0 HB2 ASN B 722 31.328 -6.276 12.469 1.00 0.00 H new ATOM 0 HB3 ASN B 722 30.532 -7.835 12.397 1.00 0.00 H new ATOM 0 HD21 ASN B 722 32.766 -7.024 15.816 1.00 0.00 H new ATOM 0 HD22 ASN B 722 33.342 -6.467 14.241 1.00 0.00 H new ATOM 1718 N LEU B 723 32.803 -10.144 10.907 1.00 0.00 N ATOM 1719 CA LEU B 723 33.094 -11.582 10.881 1.00 0.00 C ATOM 1720 C LEU B 723 34.438 -11.884 11.573 1.00 0.00 C ATOM 1721 O LEU B 723 34.632 -12.997 12.046 1.00 0.00 O ATOM 1722 CB LEU B 723 33.116 -12.078 9.421 1.00 0.00 C ATOM 1723 CG LEU B 723 31.788 -11.965 8.653 1.00 0.00 C ATOM 1724 CD1 LEU B 723 31.951 -12.587 7.266 1.00 0.00 C ATOM 1725 CD2 LEU B 723 30.651 -12.689 9.374 1.00 0.00 C ATOM 0 H LEU B 723 32.671 -9.733 9.983 1.00 0.00 H new ATOM 0 HA LEU B 723 32.311 -12.108 11.427 1.00 0.00 H new ATOM 0 HB2 LEU B 723 33.876 -11.516 8.878 1.00 0.00 H new ATOM 0 HB3 LEU B 723 33.428 -13.122 9.417 1.00 0.00 H new ATOM 0 HG LEU B 723 31.537 -10.907 8.582 1.00 0.00 H new ATOM 0 HD11 LEU B 723 31.011 -12.508 6.719 1.00 0.00 H new ATOM 0 HD12 LEU B 723 32.733 -12.060 6.720 1.00 0.00 H new ATOM 0 HD13 LEU B 723 32.225 -13.637 7.368 1.00 0.00 H new ATOM 0 HD21 LEU B 723 29.731 -12.585 8.799 1.00 0.00 H new ATOM 0 HD22 LEU B 723 30.899 -13.746 9.475 1.00 0.00 H new ATOM 0 HD23 LEU B 723 30.512 -12.253 10.363 1.00 0.00 H new ATOM 1737 N LEU B 724 35.322 -10.880 11.670 1.00 0.00 N ATOM 1738 CA LEU B 724 36.676 -10.913 12.252 1.00 0.00 C ATOM 1739 C LEU B 724 36.819 -11.918 13.426 1.00 0.00 C ATOM 1740 O LEU B 724 36.295 -11.653 14.512 1.00 0.00 O ATOM 1741 CB LEU B 724 37.116 -9.488 12.664 1.00 0.00 C ATOM 1742 CG LEU B 724 36.880 -8.362 11.635 1.00 0.00 C ATOM 1743 CD1 LEU B 724 37.566 -7.081 12.107 1.00 0.00 C ATOM 1744 CD2 LEU B 724 37.411 -8.696 10.237 1.00 0.00 C ATOM 0 H LEU B 724 35.093 -9.951 11.317 1.00 0.00 H new ATOM 0 HA LEU B 724 37.347 -11.279 11.475 1.00 0.00 H new ATOM 0 HB2 LEU B 724 36.593 -9.223 13.583 1.00 0.00 H new ATOM 0 HB3 LEU B 724 38.180 -9.516 12.899 1.00 0.00 H new ATOM 0 HG LEU B 724 35.800 -8.238 11.563 1.00 0.00 H new ATOM 0 HD11 LEU B 724 37.397 -6.288 11.378 1.00 0.00 H new ATOM 0 HD12 LEU B 724 37.154 -6.782 13.071 1.00 0.00 H new ATOM 0 HD13 LEU B 724 38.637 -7.258 12.209 1.00 0.00 H new ATOM 0 HD21 LEU B 724 37.212 -7.862 9.564 1.00 0.00 H new ATOM 0 HD22 LEU B 724 38.485 -8.873 10.289 1.00 0.00 H new ATOM 0 HD23 LEU B 724 36.914 -9.591 9.863 1.00 0.00 H new ATOM 1756 N PRO B 725 37.497 -13.074 13.243 1.00 0.00 N ATOM 1757 CA PRO B 725 37.618 -14.113 14.276 1.00 0.00 C ATOM 1758 C PRO B 725 38.574 -13.762 15.431 1.00 0.00 C ATOM 1759 O PRO B 725 38.607 -14.461 16.443 1.00 0.00 O ATOM 1760 CB PRO B 725 38.114 -15.351 13.521 1.00 0.00 C ATOM 1761 CG PRO B 725 38.955 -14.761 12.393 1.00 0.00 C ATOM 1762 CD PRO B 725 38.161 -13.511 12.018 1.00 0.00 C ATOM 0 HA PRO B 725 36.658 -14.254 14.772 1.00 0.00 H new ATOM 0 HB2 PRO B 725 38.704 -16.004 14.164 1.00 0.00 H new ATOM 0 HB3 PRO B 725 37.286 -15.946 13.136 1.00 0.00 H new ATOM 0 HG2 PRO B 725 39.965 -14.518 12.723 1.00 0.00 H new ATOM 0 HG3 PRO B 725 39.051 -15.450 11.553 1.00 0.00 H new ATOM 0 HD2 PRO B 725 38.819 -12.732 11.631 1.00 0.00 H new ATOM 0 HD3 PRO B 725 37.433 -13.731 11.237 1.00 0.00 H new ATOM 1770 N MET B 726 39.357 -12.693 15.273 1.00 0.00 N ATOM 1771 CA MET B 726 40.368 -12.202 16.211 1.00 0.00 C ATOM 1772 C MET B 726 40.344 -10.668 16.255 1.00 0.00 C ATOM 1773 O MET B 726 40.034 -10.020 15.252 1.00 0.00 O ATOM 1774 CB MET B 726 41.704 -12.765 15.716 1.00 0.00 C ATOM 1775 CG MET B 726 42.929 -12.367 16.529 1.00 0.00 C ATOM 1776 SD MET B 726 44.446 -13.255 16.077 1.00 0.00 S ATOM 1777 CE MET B 726 44.630 -12.792 14.333 1.00 0.00 C ATOM 0 H MET B 726 39.299 -12.112 14.437 1.00 0.00 H new ATOM 0 HA MET B 726 40.186 -12.527 17.235 1.00 0.00 H new ATOM 0 HB2 MET B 726 41.637 -13.853 15.703 1.00 0.00 H new ATOM 0 HB3 MET B 726 41.854 -12.443 14.686 1.00 0.00 H new ATOM 0 HG2 MET B 726 43.099 -11.297 16.408 1.00 0.00 H new ATOM 0 HG3 MET B 726 42.722 -12.540 17.585 1.00 0.00 H new ATOM 0 HE1 MET B 726 45.592 -13.146 13.962 1.00 0.00 H new ATOM 0 HE2 MET B 726 43.827 -13.244 13.750 1.00 0.00 H new ATOM 0 HE3 MET B 726 44.582 -11.707 14.237 1.00 0.00 H new ATOM 1787 N SER B 727 40.663 -10.088 17.412 1.00 0.00 N ATOM 1788 CA SER B 727 40.633 -8.635 17.662 1.00 0.00 C ATOM 1789 C SER B 727 41.951 -7.920 17.310 1.00 0.00 C ATOM 1790 O SER B 727 42.989 -8.581 17.208 1.00 0.00 O ATOM 1791 CB SER B 727 40.290 -8.385 19.139 1.00 0.00 C ATOM 1792 OG SER B 727 41.326 -8.838 19.990 1.00 0.00 O ATOM 0 H SER B 727 40.958 -10.625 18.228 1.00 0.00 H new ATOM 0 HA SER B 727 39.871 -8.217 17.005 1.00 0.00 H new ATOM 0 HB2 SER B 727 40.123 -7.320 19.301 1.00 0.00 H new ATOM 0 HB3 SER B 727 39.360 -8.895 19.390 1.00 0.00 H new ATOM 0 HG SER B 727 41.307 -9.817 20.037 1.00 0.00 H new ATOM 1798 N PRO B 728 41.960 -6.579 17.136 1.00 0.00 N ATOM 1799 CA PRO B 728 43.175 -5.811 16.838 1.00 0.00 C ATOM 1800 C PRO B 728 44.322 -6.016 17.844 1.00 0.00 C ATOM 1801 O PRO B 728 45.485 -6.044 17.447 1.00 0.00 O ATOM 1802 CB PRO B 728 42.743 -4.339 16.801 1.00 0.00 C ATOM 1803 CG PRO B 728 41.254 -4.409 16.477 1.00 0.00 C ATOM 1804 CD PRO B 728 40.812 -5.682 17.193 1.00 0.00 C ATOM 0 HA PRO B 728 43.589 -6.156 15.891 1.00 0.00 H new ATOM 0 HB2 PRO B 728 42.923 -3.845 17.756 1.00 0.00 H new ATOM 0 HB3 PRO B 728 43.292 -3.779 16.044 1.00 0.00 H new ATOM 0 HG2 PRO B 728 40.719 -3.533 16.843 1.00 0.00 H new ATOM 0 HG3 PRO B 728 41.076 -4.466 15.403 1.00 0.00 H new ATOM 0 HD2 PRO B 728 40.527 -5.474 18.224 1.00 0.00 H new ATOM 0 HD3 PRO B 728 39.943 -6.125 16.706 1.00 0.00 H new ATOM 1812 N GLU B 729 44.024 -6.180 19.138 1.00 0.00 N ATOM 1813 CA GLU B 729 45.037 -6.414 20.182 1.00 0.00 C ATOM 1814 C GLU B 729 45.684 -7.802 20.044 1.00 0.00 C ATOM 1815 O GLU B 729 46.895 -7.956 20.213 1.00 0.00 O ATOM 1816 CB GLU B 729 44.409 -6.270 21.580 1.00 0.00 C ATOM 1817 CG GLU B 729 44.159 -4.815 22.008 1.00 0.00 C ATOM 1818 CD GLU B 729 43.113 -4.075 21.147 1.00 0.00 C ATOM 1819 OE1 GLU B 729 41.973 -4.576 20.997 1.00 0.00 O ATOM 1820 OE2 GLU B 729 43.421 -2.970 20.637 1.00 0.00 O ATOM 0 H GLU B 729 43.069 -6.155 19.496 1.00 0.00 H new ATOM 0 HA GLU B 729 45.816 -5.663 20.055 1.00 0.00 H new ATOM 0 HB2 GLU B 729 43.463 -6.811 21.599 1.00 0.00 H new ATOM 0 HB3 GLU B 729 45.063 -6.745 22.311 1.00 0.00 H new ATOM 0 HG2 GLU B 729 43.831 -4.805 23.047 1.00 0.00 H new ATOM 0 HG3 GLU B 729 45.101 -4.268 21.966 1.00 0.00 H new ATOM 1827 N GLU B 730 44.904 -8.824 19.698 1.00 0.00 N ATOM 1828 CA GLU B 730 45.421 -10.174 19.448 1.00 0.00 C ATOM 1829 C GLU B 730 46.220 -10.180 18.139 1.00 0.00 C ATOM 1830 O GLU B 730 47.342 -10.682 18.094 1.00 0.00 O ATOM 1831 CB GLU B 730 44.254 -11.156 19.361 1.00 0.00 C ATOM 1832 CG GLU B 730 43.544 -11.338 20.703 1.00 0.00 C ATOM 1833 CD GLU B 730 42.211 -12.081 20.513 1.00 0.00 C ATOM 1834 OE1 GLU B 730 41.306 -11.510 19.853 1.00 0.00 O ATOM 1835 OE2 GLU B 730 42.059 -13.210 21.035 1.00 0.00 O ATOM 0 H GLU B 730 43.894 -8.743 19.582 1.00 0.00 H new ATOM 0 HA GLU B 730 46.078 -10.476 20.264 1.00 0.00 H new ATOM 0 HB2 GLU B 730 43.538 -10.801 18.620 1.00 0.00 H new ATOM 0 HB3 GLU B 730 44.621 -12.122 19.013 1.00 0.00 H new ATOM 0 HG2 GLU B 730 44.184 -11.896 21.386 1.00 0.00 H new ATOM 0 HG3 GLU B 730 43.363 -10.365 21.160 1.00 0.00 H new ATOM 1842 N PHE B 731 45.676 -9.553 17.091 1.00 0.00 N ATOM 1843 CA PHE B 731 46.347 -9.377 15.797 1.00 0.00 C ATOM 1844 C PHE B 731 47.712 -8.673 15.958 1.00 0.00 C ATOM 1845 O PHE B 731 48.688 -9.071 15.323 1.00 0.00 O ATOM 1846 CB PHE B 731 45.417 -8.614 14.839 1.00 0.00 C ATOM 1847 CG PHE B 731 45.951 -8.446 13.426 1.00 0.00 C ATOM 1848 CD1 PHE B 731 46.847 -7.400 13.125 1.00 0.00 C ATOM 1849 CD2 PHE B 731 45.540 -9.321 12.401 1.00 0.00 C ATOM 1850 CE1 PHE B 731 47.343 -7.245 11.818 1.00 0.00 C ATOM 1851 CE2 PHE B 731 46.024 -9.155 11.090 1.00 0.00 C ATOM 1852 CZ PHE B 731 46.933 -8.123 10.799 1.00 0.00 C ATOM 0 H PHE B 731 44.741 -9.146 17.118 1.00 0.00 H new ATOM 0 HA PHE B 731 46.557 -10.358 15.370 1.00 0.00 H new ATOM 0 HB2 PHE B 731 44.462 -9.136 14.791 1.00 0.00 H new ATOM 0 HB3 PHE B 731 45.220 -7.627 15.257 1.00 0.00 H new ATOM 0 HD1 PHE B 731 47.154 -6.715 13.901 1.00 0.00 H new ATOM 0 HD2 PHE B 731 44.851 -10.122 12.622 1.00 0.00 H new ATOM 0 HE1 PHE B 731 48.040 -6.450 11.597 1.00 0.00 H new ATOM 0 HE2 PHE B 731 45.696 -9.822 10.306 1.00 0.00 H new ATOM 0 HZ PHE B 731 47.315 -8.005 9.796 1.00 0.00 H new ATOM 1862 N ASP B 732 47.814 -7.667 16.835 1.00 0.00 N ATOM 1863 CA ASP B 732 49.070 -6.974 17.169 1.00 0.00 C ATOM 1864 C ASP B 732 50.112 -7.950 17.752 1.00 0.00 C ATOM 1865 O ASP B 732 51.277 -7.920 17.358 1.00 0.00 O ATOM 1866 CB ASP B 732 48.763 -5.815 18.135 1.00 0.00 C ATOM 1867 CG ASP B 732 50.012 -5.242 18.817 1.00 0.00 C ATOM 1868 OD1 ASP B 732 50.781 -4.487 18.183 1.00 0.00 O ATOM 1869 OD2 ASP B 732 50.244 -5.546 20.012 1.00 0.00 O ATOM 0 H ASP B 732 47.009 -7.302 17.345 1.00 0.00 H new ATOM 0 HA ASP B 732 49.510 -6.564 16.260 1.00 0.00 H new ATOM 0 HB2 ASP B 732 48.260 -5.019 17.587 1.00 0.00 H new ATOM 0 HB3 ASP B 732 48.068 -6.163 18.899 1.00 0.00 H new ATOM 1874 N GLU B 733 49.701 -8.863 18.639 1.00 0.00 N ATOM 1875 CA GLU B 733 50.591 -9.894 19.189 1.00 0.00 C ATOM 1876 C GLU B 733 50.939 -10.968 18.144 1.00 0.00 C ATOM 1877 O GLU B 733 52.074 -11.444 18.122 1.00 0.00 O ATOM 1878 CB GLU B 733 49.978 -10.491 20.465 1.00 0.00 C ATOM 1879 CG GLU B 733 50.906 -11.453 21.226 1.00 0.00 C ATOM 1880 CD GLU B 733 52.241 -10.829 21.677 1.00 0.00 C ATOM 1881 OE1 GLU B 733 52.332 -9.591 21.856 1.00 0.00 O ATOM 1882 OE2 GLU B 733 53.212 -11.583 21.913 1.00 0.00 O ATOM 0 H GLU B 733 48.746 -8.909 18.995 1.00 0.00 H new ATOM 0 HA GLU B 733 51.537 -9.426 19.460 1.00 0.00 H new ATOM 0 HB2 GLU B 733 49.693 -9.677 21.132 1.00 0.00 H new ATOM 0 HB3 GLU B 733 49.063 -11.021 20.200 1.00 0.00 H new ATOM 0 HG2 GLU B 733 50.379 -11.827 22.104 1.00 0.00 H new ATOM 0 HG3 GLU B 733 51.118 -12.313 20.590 1.00 0.00 H new ATOM 1889 N VAL B 734 50.026 -11.309 17.224 1.00 0.00 N ATOM 1890 CA VAL B 734 50.332 -12.225 16.116 1.00 0.00 C ATOM 1891 C VAL B 734 51.396 -11.590 15.216 1.00 0.00 C ATOM 1892 O VAL B 734 52.410 -12.222 14.915 1.00 0.00 O ATOM 1893 CB VAL B 734 49.073 -12.596 15.312 1.00 0.00 C ATOM 1894 CG1 VAL B 734 49.442 -13.336 14.026 1.00 0.00 C ATOM 1895 CG2 VAL B 734 48.097 -13.476 16.103 1.00 0.00 C ATOM 0 H VAL B 734 49.066 -10.963 17.225 1.00 0.00 H new ATOM 0 HA VAL B 734 50.719 -13.155 16.532 1.00 0.00 H new ATOM 0 HB VAL B 734 48.583 -11.650 15.084 1.00 0.00 H new ATOM 0 HG11 VAL B 734 48.534 -13.586 13.477 1.00 0.00 H new ATOM 0 HG12 VAL B 734 50.075 -12.699 13.409 1.00 0.00 H new ATOM 0 HG13 VAL B 734 49.980 -14.251 14.274 1.00 0.00 H new ATOM 0 HG21 VAL B 734 47.229 -13.704 15.484 1.00 0.00 H new ATOM 0 HG22 VAL B 734 48.593 -14.404 16.389 1.00 0.00 H new ATOM 0 HG23 VAL B 734 47.774 -12.946 16.999 1.00 0.00 H new ATOM 1905 N SER B 735 51.207 -10.322 14.838 1.00 0.00 N ATOM 1906 CA SER B 735 52.148 -9.539 14.032 1.00 0.00 C ATOM 1907 C SER B 735 53.537 -9.475 14.681 1.00 0.00 C ATOM 1908 O SER B 735 54.550 -9.621 13.995 1.00 0.00 O ATOM 1909 CB SER B 735 51.576 -8.131 13.819 1.00 0.00 C ATOM 1910 OG SER B 735 52.421 -7.363 12.980 1.00 0.00 O ATOM 0 H SER B 735 50.370 -9.797 15.092 1.00 0.00 H new ATOM 0 HA SER B 735 52.275 -10.030 13.067 1.00 0.00 H new ATOM 0 HB2 SER B 735 50.583 -8.201 13.375 1.00 0.00 H new ATOM 0 HB3 SER B 735 51.461 -7.632 14.781 1.00 0.00 H new ATOM 0 HG SER B 735 52.036 -6.470 12.857 1.00 0.00 H new ATOM 1916 N ARG B 736 53.605 -9.325 16.013 1.00 0.00 N ATOM 1917 CA ARG B 736 54.856 -9.293 16.792 1.00 0.00 C ATOM 1918 C ARG B 736 55.710 -10.561 16.643 1.00 0.00 C ATOM 1919 O ARG B 736 56.937 -10.464 16.605 1.00 0.00 O ATOM 1920 CB ARG B 736 54.492 -9.018 18.255 1.00 0.00 C ATOM 1921 CG ARG B 736 55.702 -8.661 19.129 1.00 0.00 C ATOM 1922 CD ARG B 736 55.229 -8.118 20.482 1.00 0.00 C ATOM 1923 NE ARG B 736 54.711 -6.739 20.359 1.00 0.00 N ATOM 1924 CZ ARG B 736 53.446 -6.353 20.316 1.00 0.00 C ATOM 1925 NH1 ARG B 736 52.441 -7.112 20.628 1.00 0.00 N ATOM 1926 NH2 ARG B 736 53.135 -5.154 19.926 1.00 0.00 N ATOM 0 H ARG B 736 52.773 -9.220 16.593 1.00 0.00 H new ATOM 0 HA ARG B 736 55.488 -8.497 16.399 1.00 0.00 H new ATOM 0 HB2 ARG B 736 53.771 -8.201 18.295 1.00 0.00 H new ATOM 0 HB3 ARG B 736 54.000 -9.898 18.671 1.00 0.00 H new ATOM 0 HG2 ARG B 736 56.325 -9.543 19.279 1.00 0.00 H new ATOM 0 HG3 ARG B 736 56.319 -7.917 18.625 1.00 0.00 H new ATOM 0 HD2 ARG B 736 54.450 -8.766 20.884 1.00 0.00 H new ATOM 0 HD3 ARG B 736 56.056 -8.136 21.192 1.00 0.00 H new ATOM 0 HE ARG B 736 55.410 -5.999 20.300 1.00 0.00 H new ATOM 0 HH11 ARG B 736 52.602 -8.073 20.930 1.00 0.00 H new ATOM 0 HH12 ARG B 736 51.490 -6.748 20.572 1.00 0.00 H new ATOM 0 HH21 ARG B 736 53.868 -4.501 19.650 1.00 0.00 H new ATOM 0 HH22 ARG B 736 52.157 -4.865 19.896 1.00 0.00 H new ATOM 1940 N ILE B 737 55.077 -11.734 16.546 1.00 0.00 N ATOM 1941 CA ILE B 737 55.760 -13.033 16.392 1.00 0.00 C ATOM 1942 C ILE B 737 56.003 -13.382 14.913 1.00 0.00 C ATOM 1943 O ILE B 737 57.109 -13.780 14.546 1.00 0.00 O ATOM 1944 CB ILE B 737 54.954 -14.158 17.090 1.00 0.00 C ATOM 1945 CG1 ILE B 737 54.733 -13.811 18.581 1.00 0.00 C ATOM 1946 CG2 ILE B 737 55.670 -15.519 16.946 1.00 0.00 C ATOM 1947 CD1 ILE B 737 54.086 -14.923 19.412 1.00 0.00 C ATOM 0 H ILE B 737 54.061 -11.815 16.572 1.00 0.00 H new ATOM 0 HA ILE B 737 56.735 -12.948 16.872 1.00 0.00 H new ATOM 0 HB ILE B 737 53.982 -14.238 16.604 1.00 0.00 H new ATOM 0 HG12 ILE B 737 55.695 -13.557 19.026 1.00 0.00 H new ATOM 0 HG13 ILE B 737 54.108 -12.920 18.643 1.00 0.00 H new ATOM 0 HG21 ILE B 737 55.085 -16.292 17.444 1.00 0.00 H new ATOM 0 HG22 ILE B 737 55.773 -15.766 15.889 1.00 0.00 H new ATOM 0 HG23 ILE B 737 56.658 -15.461 17.403 1.00 0.00 H new ATOM 0 HD11 ILE B 737 53.972 -14.587 20.443 1.00 0.00 H new ATOM 0 HD12 ILE B 737 53.107 -15.164 18.998 1.00 0.00 H new ATOM 0 HD13 ILE B 737 54.718 -15.810 19.387 1.00 0.00 H new ATOM 1959 N VAL B 738 54.983 -13.243 14.057 1.00 0.00 N ATOM 1960 CA VAL B 738 55.051 -13.571 12.617 1.00 0.00 C ATOM 1961 C VAL B 738 55.958 -12.603 11.839 1.00 0.00 C ATOM 1962 O VAL B 738 56.594 -12.987 10.856 1.00 0.00 O ATOM 1963 CB VAL B 738 53.629 -13.593 12.013 1.00 0.00 C ATOM 1964 CG1 VAL B 738 53.617 -13.892 10.510 1.00 0.00 C ATOM 1965 CG2 VAL B 738 52.773 -14.681 12.680 1.00 0.00 C ATOM 0 H VAL B 738 54.069 -12.894 14.345 1.00 0.00 H new ATOM 0 HA VAL B 738 55.497 -14.562 12.526 1.00 0.00 H new ATOM 0 HB VAL B 738 53.230 -12.594 12.188 1.00 0.00 H new ATOM 0 HG11 VAL B 738 52.589 -13.893 10.147 1.00 0.00 H new ATOM 0 HG12 VAL B 738 54.187 -13.127 9.982 1.00 0.00 H new ATOM 0 HG13 VAL B 738 54.066 -14.869 10.330 1.00 0.00 H new ATOM 0 HG21 VAL B 738 51.776 -14.680 12.240 1.00 0.00 H new ATOM 0 HG22 VAL B 738 53.237 -15.655 12.525 1.00 0.00 H new ATOM 0 HG23 VAL B 738 52.699 -14.481 13.749 1.00 0.00 H new ATOM 1975 N GLY B 739 56.021 -11.339 12.269 1.00 0.00 N ATOM 1976 CA GLY B 739 56.822 -10.275 11.646 1.00 0.00 C ATOM 1977 C GLY B 739 56.405 -9.919 10.209 1.00 0.00 C ATOM 1978 O GLY B 739 57.209 -9.356 9.463 1.00 0.00 O ATOM 0 H GLY B 739 55.501 -11.016 13.085 1.00 0.00 H new ATOM 0 HA2 GLY B 739 56.754 -9.379 12.263 1.00 0.00 H new ATOM 0 HA3 GLY B 739 57.868 -10.581 11.642 1.00 0.00 H new ATOM 1982 N SER B 740 55.170 -10.259 9.811 1.00 0.00 N ATOM 1983 CA SER B 740 54.587 -10.046 8.469 1.00 0.00 C ATOM 1984 C SER B 740 55.443 -10.572 7.295 1.00 0.00 C ATOM 1985 O SER B 740 55.328 -10.062 6.180 1.00 0.00 O ATOM 1986 CB SER B 740 54.194 -8.570 8.281 1.00 0.00 C ATOM 1987 OG SER B 740 53.292 -8.163 9.300 1.00 0.00 O ATOM 0 H SER B 740 54.514 -10.714 10.446 1.00 0.00 H new ATOM 0 HA SER B 740 53.688 -10.662 8.436 1.00 0.00 H new ATOM 0 HB2 SER B 740 55.086 -7.944 8.305 1.00 0.00 H new ATOM 0 HB3 SER B 740 53.734 -8.432 7.303 1.00 0.00 H new ATOM 0 HG SER B 740 53.053 -7.222 9.168 1.00 0.00 H new ATOM 1993 N VAL B 741 56.287 -11.585 7.557 1.00 0.00 N ATOM 1994 CA VAL B 741 57.252 -12.284 6.670 1.00 0.00 C ATOM 1995 C VAL B 741 57.155 -11.946 5.167 1.00 0.00 C ATOM 1996 O VAL B 741 58.027 -11.250 4.645 1.00 0.00 O ATOM 1997 CB VAL B 741 57.261 -13.794 7.014 1.00 0.00 C ATOM 1998 CG1 VAL B 741 55.887 -14.485 6.988 1.00 0.00 C ATOM 1999 CG2 VAL B 741 58.245 -14.595 6.157 1.00 0.00 C ATOM 0 H VAL B 741 56.318 -11.982 8.496 1.00 0.00 H new ATOM 0 HA VAL B 741 58.243 -11.884 6.887 1.00 0.00 H new ATOM 0 HB VAL B 741 57.594 -13.797 8.052 1.00 0.00 H new ATOM 0 HG11 VAL B 741 56.005 -15.538 7.243 1.00 0.00 H new ATOM 0 HG12 VAL B 741 55.226 -14.008 7.712 1.00 0.00 H new ATOM 0 HG13 VAL B 741 55.455 -14.399 5.991 1.00 0.00 H new ATOM 0 HG21 VAL B 741 58.206 -15.646 6.444 1.00 0.00 H new ATOM 0 HG22 VAL B 741 57.976 -14.496 5.105 1.00 0.00 H new ATOM 0 HG23 VAL B 741 59.255 -14.214 6.310 1.00 0.00 H new ATOM 2009 N GLU B 742 56.080 -12.353 4.487 1.00 0.00 N ATOM 2010 CA GLU B 742 55.749 -11.977 3.091 1.00 0.00 C ATOM 2011 C GLU B 742 54.235 -12.078 2.829 1.00 0.00 C ATOM 2012 O GLU B 742 53.735 -12.518 1.793 1.00 0.00 O ATOM 2013 CB GLU B 742 56.590 -12.734 2.070 1.00 0.00 C ATOM 2014 CG GLU B 742 56.463 -14.260 2.069 1.00 0.00 C ATOM 2015 CD GLU B 742 57.323 -14.825 0.929 1.00 0.00 C ATOM 2016 OE1 GLU B 742 56.836 -14.872 -0.226 1.00 0.00 O ATOM 2017 OE2 GLU B 742 58.482 -15.225 1.187 1.00 0.00 O ATOM 0 H GLU B 742 55.385 -12.976 4.899 1.00 0.00 H new ATOM 0 HA GLU B 742 56.017 -10.928 2.961 1.00 0.00 H new ATOM 0 HB2 GLU B 742 56.328 -12.370 1.077 1.00 0.00 H new ATOM 0 HB3 GLU B 742 57.637 -12.480 2.236 1.00 0.00 H new ATOM 0 HG2 GLU B 742 56.790 -14.667 3.026 1.00 0.00 H new ATOM 0 HG3 GLU B 742 55.421 -14.552 1.937 1.00 0.00 H new ATOM 2024 N PHE B 743 53.527 -11.689 3.876 1.00 0.00 N ATOM 2025 CA PHE B 743 52.089 -11.718 4.134 1.00 0.00 C ATOM 2026 C PHE B 743 51.134 -11.364 2.977 1.00 0.00 C ATOM 2027 O PHE B 743 50.057 -11.947 2.858 1.00 0.00 O ATOM 2028 CB PHE B 743 51.895 -10.798 5.338 1.00 0.00 C ATOM 2029 CG PHE B 743 50.651 -11.050 6.143 1.00 0.00 C ATOM 2030 CD1 PHE B 743 50.422 -12.321 6.701 1.00 0.00 C ATOM 2031 CD2 PHE B 743 49.777 -9.983 6.407 1.00 0.00 C ATOM 2032 CE1 PHE B 743 49.340 -12.499 7.571 1.00 0.00 C ATOM 2033 CE2 PHE B 743 48.679 -10.176 7.261 1.00 0.00 C ATOM 2034 CZ PHE B 743 48.467 -11.431 7.850 1.00 0.00 C ATOM 0 H PHE B 743 54.013 -11.289 4.679 1.00 0.00 H new ATOM 0 HA PHE B 743 51.800 -12.755 4.303 1.00 0.00 H new ATOM 0 HB2 PHE B 743 52.759 -10.898 5.994 1.00 0.00 H new ATOM 0 HB3 PHE B 743 51.879 -9.766 4.987 1.00 0.00 H new ATOM 0 HD1 PHE B 743 51.073 -13.149 6.461 1.00 0.00 H new ATOM 0 HD2 PHE B 743 49.949 -9.017 5.955 1.00 0.00 H new ATOM 0 HE1 PHE B 743 49.174 -13.462 8.031 1.00 0.00 H new ATOM 0 HE2 PHE B 743 48.000 -9.361 7.463 1.00 0.00 H new ATOM 0 HZ PHE B 743 47.632 -11.578 8.519 1.00 0.00 H new ATOM 2044 N ASP B 744 51.508 -10.443 2.091 1.00 0.00 N ATOM 2045 CA ASP B 744 50.715 -10.068 0.909 1.00 0.00 C ATOM 2046 C ASP B 744 50.844 -11.068 -0.272 1.00 0.00 C ATOM 2047 O ASP B 744 50.274 -10.847 -1.341 1.00 0.00 O ATOM 2048 CB ASP B 744 51.068 -8.630 0.502 1.00 0.00 C ATOM 2049 CG ASP B 744 52.522 -8.489 0.015 1.00 0.00 C ATOM 2050 OD1 ASP B 744 53.451 -8.579 0.856 1.00 0.00 O ATOM 2051 OD2 ASP B 744 52.742 -8.269 -1.200 1.00 0.00 O ATOM 0 H ASP B 744 52.383 -9.925 2.170 1.00 0.00 H new ATOM 0 HA ASP B 744 49.661 -10.115 1.184 1.00 0.00 H new ATOM 0 HB2 ASP B 744 50.392 -8.304 -0.288 1.00 0.00 H new ATOM 0 HB3 ASP B 744 50.908 -7.967 1.352 1.00 0.00 H new ATOM 2056 N SER B 745 51.583 -12.170 -0.091 1.00 0.00 N ATOM 2057 CA SER B 745 51.853 -13.218 -1.094 1.00 0.00 C ATOM 2058 C SER B 745 51.470 -14.638 -0.622 1.00 0.00 C ATOM 2059 O SER B 745 51.763 -15.625 -1.300 1.00 0.00 O ATOM 2060 CB SER B 745 53.333 -13.106 -1.498 1.00 0.00 C ATOM 2061 OG SER B 745 53.658 -13.919 -2.615 1.00 0.00 O ATOM 0 H SER B 745 52.033 -12.368 0.803 1.00 0.00 H new ATOM 0 HA SER B 745 51.215 -13.054 -1.962 1.00 0.00 H new ATOM 0 HB2 SER B 745 53.564 -12.067 -1.731 1.00 0.00 H new ATOM 0 HB3 SER B 745 53.959 -13.390 -0.652 1.00 0.00 H new ATOM 0 HG SER B 745 54.607 -13.811 -2.833 1.00 0.00 H new ATOM 2067 N MET B 746 50.798 -14.787 0.529 1.00 0.00 N ATOM 2068 CA MET B 746 50.378 -16.094 1.086 1.00 0.00 C ATOM 2069 C MET B 746 49.469 -16.915 0.149 1.00 0.00 C ATOM 2070 O MET B 746 49.408 -18.140 0.254 1.00 0.00 O ATOM 2071 CB MET B 746 49.733 -15.915 2.468 1.00 0.00 C ATOM 2072 CG MET B 746 50.631 -15.220 3.511 1.00 0.00 C ATOM 2073 SD MET B 746 52.433 -15.190 3.248 1.00 0.00 S ATOM 2074 CE MET B 746 52.811 -16.898 3.652 1.00 0.00 C ATOM 0 H MET B 746 50.524 -13.996 1.112 1.00 0.00 H new ATOM 0 HA MET B 746 51.291 -16.680 1.191 1.00 0.00 H new ATOM 0 HB2 MET B 746 48.816 -15.336 2.354 1.00 0.00 H new ATOM 0 HB3 MET B 746 49.446 -16.895 2.850 1.00 0.00 H new ATOM 0 HG2 MET B 746 50.294 -14.187 3.598 1.00 0.00 H new ATOM 0 HG3 MET B 746 50.447 -15.698 4.473 1.00 0.00 H new ATOM 0 HE1 MET B 746 53.657 -17.235 3.054 1.00 0.00 H new ATOM 0 HE2 MET B 746 53.061 -16.975 4.710 1.00 0.00 H new ATOM 0 HE3 MET B 746 51.944 -17.523 3.438 1.00 0.00 H new