USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 614 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 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.874 K(o=-0.87,f=-1.6) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -4.03! C(o=-4!,f=-8.8!) USER MOD Single : A 16 ASN : amide:sc= -3.25 X(o=-3.2,f=-2.8!) USER MOD Single : A 18 HIS : no HD1:sc= -4.32! C(o=-4.3!,f=-4.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -2.61 K(o=-2.6,f=-3.7) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0.617 K(o=0.62,f=-0.2) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 100:sc= 1.12 USER MOD Single : A 38 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.049) USER MOD Single : A 39 GLN : amide:sc= -0.966 X(o=-0.97,f=-0.77) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.807 F(o=-1.6,f=-0.81) USER MOD Single : A 42 SER OG : rot 42:sc= 0.451 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0701 X(o=-0.07,f=-0.19) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0605 X(o=-0.061,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -160:sc= -2.22 (180deg=-4.22!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.205 K(o=-0.2,f=-1.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N HIS A 3 -11.557 -4.281 8.505 1.00 0.00 N ATOM 41 CA HIS A 3 -10.733 -5.212 9.276 1.00 0.00 C ATOM 42 C HIS A 3 -9.386 -5.451 8.601 1.00 0.00 C ATOM 43 O HIS A 3 -8.334 -5.197 9.184 1.00 0.00 O ATOM 44 CB HIS A 3 -11.462 -6.544 9.473 1.00 0.00 C ATOM 45 CG HIS A 3 -10.845 -7.413 10.524 1.00 0.00 C ATOM 46 ND1 HIS A 3 -10.468 -8.720 10.294 1.00 0.00 N ATOM 47 CD2 HIS A 3 -10.538 -7.157 11.818 1.00 0.00 C ATOM 48 CE1 HIS A 3 -9.956 -9.230 11.401 1.00 0.00 C ATOM 49 NE2 HIS A 3 -9.987 -8.301 12.340 1.00 0.00 N ATOM 0 HA HIS A 3 -10.552 -4.760 10.251 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.500 -6.345 9.741 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.475 -7.085 8.527 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -10.697 -6.226 12.342 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.577 -10.235 11.518 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -9.655 -8.415 13.298 1.00 0.00 H new ATOM 58 N GLU A 4 -9.432 -5.945 7.372 1.00 0.00 N ATOM 59 CA GLU A 4 -8.222 -6.229 6.606 1.00 0.00 C ATOM 60 C GLU A 4 -7.537 -4.945 6.130 1.00 0.00 C ATOM 61 O GLU A 4 -6.461 -4.983 5.541 1.00 0.00 O ATOM 62 CB GLU A 4 -8.554 -7.114 5.403 1.00 0.00 C ATOM 63 CG GLU A 4 -9.278 -8.398 5.775 1.00 0.00 C ATOM 64 CD GLU A 4 -10.656 -8.497 5.151 1.00 0.00 C ATOM 65 OE1 GLU A 4 -10.742 -8.533 3.906 1.00 0.00 O ATOM 66 OE2 GLU A 4 -11.649 -8.535 5.907 1.00 0.00 O ATOM 0 H GLU A 4 -10.299 -6.159 6.879 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.532 -6.754 7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.171 -6.548 4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.631 -7.365 4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.679 -9.252 5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.370 -8.457 6.860 1.00 0.00 H new ATOM 73 N PHE A 5 -8.159 -3.807 6.385 1.00 0.00 N ATOM 74 CA PHE A 5 -7.594 -2.531 5.983 1.00 0.00 C ATOM 75 C PHE A 5 -6.721 -1.963 7.086 1.00 0.00 C ATOM 76 O PHE A 5 -5.834 -1.154 6.840 1.00 0.00 O ATOM 77 CB PHE A 5 -8.701 -1.550 5.631 1.00 0.00 C ATOM 78 CG PHE A 5 -8.226 -0.354 4.857 1.00 0.00 C ATOM 79 CD1 PHE A 5 -7.681 0.740 5.511 1.00 0.00 C ATOM 80 CD2 PHE A 5 -8.324 -0.324 3.476 1.00 0.00 C ATOM 81 CE1 PHE A 5 -7.243 1.841 4.801 1.00 0.00 C ATOM 82 CE2 PHE A 5 -7.888 0.775 2.760 1.00 0.00 C ATOM 83 CZ PHE A 5 -7.346 1.859 3.424 1.00 0.00 C ATOM 0 H PHE A 5 -9.055 -3.741 6.868 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.975 -2.692 5.100 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.462 -2.069 5.049 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -9.179 -1.210 6.550 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.598 0.731 6.588 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.746 -1.169 2.952 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.820 2.687 5.322 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.971 0.787 1.683 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.004 2.719 2.867 1.00 0.00 H new ATOM 93 N ARG A 6 -6.975 -2.406 8.306 1.00 0.00 N ATOM 94 CA ARG A 6 -6.200 -1.966 9.450 1.00 0.00 C ATOM 95 C ARG A 6 -5.455 -3.152 10.037 1.00 0.00 C ATOM 96 O ARG A 6 -4.368 -3.005 10.594 1.00 0.00 O ATOM 97 CB ARG A 6 -7.101 -1.324 10.507 1.00 0.00 C ATOM 98 CG ARG A 6 -7.954 -0.185 9.973 1.00 0.00 C ATOM 99 CD ARG A 6 -9.182 -0.699 9.235 1.00 0.00 C ATOM 100 NE ARG A 6 -10.418 -0.415 9.963 1.00 0.00 N ATOM 101 CZ ARG A 6 -10.986 -1.254 10.828 1.00 0.00 C ATOM 102 NH1 ARG A 6 -10.437 -2.434 11.085 1.00 0.00 N ATOM 103 NH2 ARG A 6 -12.111 -0.909 11.440 1.00 0.00 N ATOM 0 H ARG A 6 -7.715 -3.072 8.528 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.483 -1.213 9.123 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.754 -2.089 10.928 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.481 -0.951 11.322 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.267 0.454 10.799 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.358 0.432 9.301 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.230 -0.240 8.247 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.090 -1.774 9.083 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.874 0.482 9.798 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.572 -2.706 10.619 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.880 -3.069 11.749 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.539 -0.003 11.248 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.548 -1.549 12.103 1.00 0.00 H new ATOM 117 N ASP A 7 -6.043 -4.335 9.889 1.00 0.00 N ATOM 118 CA ASP A 7 -5.427 -5.548 10.382 1.00 0.00 C ATOM 119 C ASP A 7 -4.547 -6.165 9.310 1.00 0.00 C ATOM 120 O ASP A 7 -3.508 -6.749 9.613 1.00 0.00 O ATOM 121 CB ASP A 7 -6.486 -6.550 10.844 1.00 0.00 C ATOM 122 CG ASP A 7 -7.419 -5.967 11.889 1.00 0.00 C ATOM 123 OD1 ASP A 7 -7.740 -4.764 11.794 1.00 0.00 O ATOM 124 OD2 ASP A 7 -7.827 -6.714 12.803 1.00 0.00 O ATOM 0 H ASP A 7 -6.944 -4.473 9.431 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.806 -5.291 11.240 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.069 -6.880 9.984 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.993 -7.432 11.253 1.00 0.00 H new ATOM 129 N GLU A 8 -4.941 -6.013 8.045 1.00 0.00 N ATOM 130 CA GLU A 8 -4.132 -6.546 6.963 1.00 0.00 C ATOM 131 C GLU A 8 -3.142 -5.490 6.508 1.00 0.00 C ATOM 132 O GLU A 8 -2.059 -5.813 6.024 1.00 0.00 O ATOM 133 CB GLU A 8 -4.989 -7.030 5.794 1.00 0.00 C ATOM 134 CG GLU A 8 -4.642 -8.436 5.332 1.00 0.00 C ATOM 135 CD GLU A 8 -5.732 -9.441 5.647 1.00 0.00 C ATOM 136 OE1 GLU A 8 -6.176 -9.491 6.814 1.00 0.00 O ATOM 137 OE2 GLU A 8 -6.141 -10.181 4.728 1.00 0.00 O ATOM 0 H GLU A 8 -5.795 -5.536 7.755 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.590 -7.415 7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.039 -7.000 6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.871 -6.341 4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.462 -8.427 4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.714 -8.752 5.808 1.00 0.00 H new ATOM 144 N ILE A 9 -3.496 -4.217 6.681 1.00 0.00 N ATOM 145 CA ILE A 9 -2.585 -3.152 6.296 1.00 0.00 C ATOM 146 C ILE A 9 -1.552 -2.908 7.385 1.00 0.00 C ATOM 147 O ILE A 9 -0.432 -2.499 7.097 1.00 0.00 O ATOM 148 CB ILE A 9 -3.312 -1.824 6.002 1.00 0.00 C ATOM 149 CG1 ILE A 9 -4.250 -1.981 4.802 1.00 0.00 C ATOM 150 CG2 ILE A 9 -2.302 -0.710 5.748 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.907 -0.689 4.365 1.00 0.00 C ATOM 0 H ILE A 9 -4.384 -3.908 7.075 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.099 -3.487 5.379 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.910 -1.557 6.873 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.687 -2.392 3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.025 -2.705 5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.831 0.221 5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.672 -0.582 6.628 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.680 -0.971 4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.556 -0.882 3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.499 -0.286 5.187 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.140 0.032 4.083 1.00 0.00 H new ATOM 163 N SER A 10 -1.929 -3.126 8.638 1.00 0.00 N ATOM 164 CA SER A 10 -1.003 -2.884 9.732 1.00 0.00 C ATOM 165 C SER A 10 -0.190 -4.116 10.116 1.00 0.00 C ATOM 166 O SER A 10 0.851 -3.991 10.755 1.00 0.00 O ATOM 167 CB SER A 10 -1.747 -2.345 10.954 1.00 0.00 C ATOM 168 OG SER A 10 -0.863 -1.672 11.834 1.00 0.00 O ATOM 0 H SER A 10 -2.850 -3.463 8.917 1.00 0.00 H new ATOM 0 HA SER A 10 -0.294 -2.138 9.374 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.534 -1.663 10.633 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.233 -3.167 11.480 1.00 0.00 H new ATOM 0 HG SER A 10 -1.364 -1.336 12.606 1.00 0.00 H new ATOM 174 N VAL A 11 -0.660 -5.302 9.760 1.00 0.00 N ATOM 175 CA VAL A 11 0.065 -6.515 10.120 1.00 0.00 C ATOM 176 C VAL A 11 1.066 -6.931 9.049 1.00 0.00 C ATOM 177 O VAL A 11 2.113 -7.494 9.361 1.00 0.00 O ATOM 178 CB VAL A 11 -0.891 -7.688 10.415 1.00 0.00 C ATOM 179 CG1 VAL A 11 -0.112 -8.974 10.665 1.00 0.00 C ATOM 180 CG2 VAL A 11 -1.782 -7.359 11.603 1.00 0.00 C ATOM 0 H VAL A 11 -1.521 -5.452 9.234 1.00 0.00 H new ATOM 0 HA VAL A 11 0.617 -6.273 11.028 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.523 -7.843 9.541 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.808 -9.787 10.871 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.480 -9.218 9.783 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.550 -8.838 11.520 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.451 -8.197 11.799 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.164 -7.175 12.482 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.370 -6.469 11.381 1.00 0.00 H new ATOM 190 N LEU A 12 0.744 -6.668 7.795 1.00 0.00 N ATOM 191 CA LEU A 12 1.630 -7.040 6.701 1.00 0.00 C ATOM 192 C LEU A 12 2.608 -5.928 6.378 1.00 0.00 C ATOM 193 O LEU A 12 3.801 -6.169 6.216 1.00 0.00 O ATOM 194 CB LEU A 12 0.827 -7.390 5.451 1.00 0.00 C ATOM 195 CG LEU A 12 -0.525 -8.038 5.722 1.00 0.00 C ATOM 196 CD1 LEU A 12 -1.402 -7.997 4.479 1.00 0.00 C ATOM 197 CD2 LEU A 12 -0.342 -9.470 6.207 1.00 0.00 C ATOM 0 H LEU A 12 -0.117 -6.202 7.508 1.00 0.00 H new ATOM 0 HA LEU A 12 2.194 -7.915 7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.669 -6.481 4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.420 -8.064 4.832 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.026 -7.471 6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.362 -8.465 4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.562 -6.961 4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.910 -8.536 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.318 -9.918 6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.181 -10.048 5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.242 -9.471 7.128 1.00 0.00 H new ATOM 209 N LYS A 13 2.097 -4.714 6.271 1.00 0.00 N ATOM 210 CA LYS A 13 2.943 -3.573 5.943 1.00 0.00 C ATOM 211 C LYS A 13 3.850 -3.202 7.109 1.00 0.00 C ATOM 212 O LYS A 13 4.981 -2.764 6.906 1.00 0.00 O ATOM 213 CB LYS A 13 2.083 -2.381 5.514 1.00 0.00 C ATOM 214 CG LYS A 13 2.724 -1.022 5.753 1.00 0.00 C ATOM 215 CD LYS A 13 2.210 -0.382 7.032 1.00 0.00 C ATOM 216 CE LYS A 13 0.735 -0.029 6.924 1.00 0.00 C ATOM 217 NZ LYS A 13 0.528 1.416 6.631 1.00 0.00 N ATOM 0 H LYS A 13 1.111 -4.491 6.404 1.00 0.00 H new ATOM 0 HA LYS A 13 3.585 -3.854 5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.853 -2.478 4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.135 -2.421 6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.807 -1.134 5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.516 -0.366 4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.362 -1.065 7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.786 0.518 7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.275 -0.628 6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.231 -0.286 7.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.491 1.614 6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.944 1.988 7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.986 1.656 5.729 1.00 0.00 H new ATOM 231 N ALA A 14 3.358 -3.368 8.326 1.00 0.00 N ATOM 232 CA ALA A 14 4.146 -3.036 9.501 1.00 0.00 C ATOM 233 C ALA A 14 5.247 -4.066 9.758 1.00 0.00 C ATOM 234 O ALA A 14 6.060 -3.889 10.665 1.00 0.00 O ATOM 235 CB ALA A 14 3.250 -2.896 10.719 1.00 0.00 C ATOM 0 H ALA A 14 2.424 -3.728 8.525 1.00 0.00 H new ATOM 0 HA ALA A 14 4.633 -2.080 9.310 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.856 -2.647 11.590 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.522 -2.104 10.546 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.728 -3.836 10.897 1.00 0.00 H new ATOM 241 N ASN A 15 5.280 -5.145 8.969 1.00 0.00 N ATOM 242 CA ASN A 15 6.307 -6.171 9.163 1.00 0.00 C ATOM 243 C ASN A 15 6.609 -6.965 7.895 1.00 0.00 C ATOM 244 O ASN A 15 7.088 -8.097 7.977 1.00 0.00 O ATOM 245 CB ASN A 15 5.904 -7.122 10.293 1.00 0.00 C ATOM 246 CG ASN A 15 4.690 -7.963 9.951 1.00 0.00 C ATOM 247 OD1 ASN A 15 4.413 -8.233 8.782 1.00 0.00 O ATOM 248 ND2 ASN A 15 3.956 -8.385 10.975 1.00 0.00 N ATOM 0 H ASN A 15 4.625 -5.328 8.209 1.00 0.00 H new ATOM 0 HA ASN A 15 7.223 -5.644 9.432 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.742 -7.780 10.524 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.697 -6.542 11.192 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.127 -8.956 10.808 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.221 -8.138 11.929 1.00 0.00 H new ATOM 255 N ASN A 16 6.358 -6.383 6.728 1.00 0.00 N ATOM 256 CA ASN A 16 6.648 -7.081 5.480 1.00 0.00 C ATOM 257 C ASN A 16 8.104 -6.860 5.070 1.00 0.00 C ATOM 258 O ASN A 16 8.683 -5.818 5.363 1.00 0.00 O ATOM 259 CB ASN A 16 5.716 -6.619 4.356 1.00 0.00 C ATOM 260 CG ASN A 16 4.729 -7.696 3.947 1.00 0.00 C ATOM 261 OD1 ASN A 16 3.882 -8.114 4.737 1.00 0.00 O ATOM 262 ND2 ASN A 16 4.835 -8.155 2.705 1.00 0.00 N ATOM 0 H ASN A 16 5.963 -5.449 6.619 1.00 0.00 H new ATOM 0 HA ASN A 16 6.481 -8.145 5.649 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.170 -5.733 4.681 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.311 -6.327 3.491 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.200 -8.881 2.374 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.551 -7.781 2.083 1.00 0.00 H new ATOM 269 N PRO A 17 8.721 -7.836 4.383 1.00 0.00 N ATOM 270 CA PRO A 17 10.115 -7.716 3.942 1.00 0.00 C ATOM 271 C PRO A 17 10.320 -6.507 3.053 1.00 0.00 C ATOM 272 O PRO A 17 11.320 -5.798 3.165 1.00 0.00 O ATOM 273 CB PRO A 17 10.368 -9.013 3.165 1.00 0.00 C ATOM 274 CG PRO A 17 9.319 -9.960 3.640 1.00 0.00 C ATOM 275 CD PRO A 17 8.121 -9.119 3.983 1.00 0.00 C ATOM 0 HA PRO A 17 10.800 -7.579 4.779 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.294 -8.849 2.090 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.368 -9.401 3.360 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.075 -10.690 2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.664 -10.519 4.510 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.452 -9.003 3.131 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.536 -9.560 4.790 1.00 0.00 H new ATOM 283 N HIS A 18 9.355 -6.269 2.188 1.00 0.00 N ATOM 284 CA HIS A 18 9.403 -5.135 1.287 1.00 0.00 C ATOM 285 C HIS A 18 9.118 -3.845 2.048 1.00 0.00 C ATOM 286 O HIS A 18 9.457 -2.755 1.589 1.00 0.00 O ATOM 287 CB HIS A 18 8.383 -5.338 0.178 1.00 0.00 C ATOM 288 CG HIS A 18 8.868 -4.914 -1.174 1.00 0.00 C ATOM 289 ND1 HIS A 18 8.283 -5.333 -2.350 1.00 0.00 N ATOM 290 CD2 HIS A 18 9.891 -4.103 -1.534 1.00 0.00 C ATOM 291 CE1 HIS A 18 8.925 -4.800 -3.374 1.00 0.00 C ATOM 292 NE2 HIS A 18 9.904 -4.049 -2.906 1.00 0.00 N ATOM 0 H HIS A 18 8.523 -6.850 2.090 1.00 0.00 H new ATOM 0 HA HIS A 18 10.398 -5.057 0.850 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.106 -6.391 0.140 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.479 -4.779 0.421 1.00 0.00 H new ATOM 0 HD2 HIS A 18 10.570 -3.594 -0.866 1.00 0.00 H new ATOM 0 HE1 HIS A 18 8.689 -4.953 -4.417 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.564 -3.515 -3.472 1.00 0.00 H new ATOM 301 N PHE A 19 8.500 -3.977 3.223 1.00 0.00 N ATOM 302 CA PHE A 19 8.183 -2.819 4.046 1.00 0.00 C ATOM 303 C PHE A 19 9.436 -1.990 4.296 1.00 0.00 C ATOM 304 O PHE A 19 9.372 -0.771 4.428 1.00 0.00 O ATOM 305 CB PHE A 19 7.519 -3.260 5.366 1.00 0.00 C ATOM 306 CG PHE A 19 8.358 -3.083 6.610 1.00 0.00 C ATOM 307 CD1 PHE A 19 9.613 -3.665 6.720 1.00 0.00 C ATOM 308 CD2 PHE A 19 7.880 -2.335 7.675 1.00 0.00 C ATOM 309 CE1 PHE A 19 10.372 -3.502 7.863 1.00 0.00 C ATOM 310 CE2 PHE A 19 8.635 -2.169 8.820 1.00 0.00 C ATOM 311 CZ PHE A 19 9.883 -2.753 8.914 1.00 0.00 C ATOM 0 H PHE A 19 8.212 -4.871 3.621 1.00 0.00 H new ATOM 0 HA PHE A 19 7.469 -2.190 3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.593 -2.699 5.491 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.245 -4.312 5.281 1.00 0.00 H new ATOM 0 HD1 PHE A 19 10.001 -4.253 5.902 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.905 -1.876 7.609 1.00 0.00 H new ATOM 0 HE1 PHE A 19 11.347 -3.960 7.934 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.250 -1.583 9.641 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.475 -2.624 9.808 1.00 0.00 H new ATOM 321 N ASP A 20 10.586 -2.646 4.334 1.00 0.00 N ATOM 322 CA ASP A 20 11.841 -1.939 4.544 1.00 0.00 C ATOM 323 C ASP A 20 11.890 -0.689 3.678 1.00 0.00 C ATOM 324 O ASP A 20 12.136 0.411 4.161 1.00 0.00 O ATOM 325 CB ASP A 20 13.018 -2.840 4.201 1.00 0.00 C ATOM 326 CG ASP A 20 13.448 -3.710 5.365 1.00 0.00 C ATOM 327 OD1 ASP A 20 12.705 -4.654 5.706 1.00 0.00 O ATOM 328 OD2 ASP A 20 14.527 -3.445 5.937 1.00 0.00 O ATOM 0 H ASP A 20 10.677 -3.656 4.224 1.00 0.00 H new ATOM 0 HA ASP A 20 11.904 -1.652 5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.750 -3.476 3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.860 -2.225 3.882 1.00 0.00 H new ATOM 333 N LYS A 21 11.645 -0.884 2.391 1.00 0.00 N ATOM 334 CA LYS A 21 11.643 0.209 1.431 1.00 0.00 C ATOM 335 C LYS A 21 10.250 0.811 1.268 1.00 0.00 C ATOM 336 O LYS A 21 10.069 2.026 1.353 1.00 0.00 O ATOM 337 CB LYS A 21 12.159 -0.287 0.079 1.00 0.00 C ATOM 338 CG LYS A 21 13.671 -0.200 -0.064 1.00 0.00 C ATOM 339 CD LYS A 21 14.321 -1.571 0.034 1.00 0.00 C ATOM 340 CE LYS A 21 15.771 -1.470 0.476 1.00 0.00 C ATOM 341 NZ LYS A 21 16.711 -1.574 -0.675 1.00 0.00 N ATOM 0 H LYS A 21 11.443 -1.798 1.985 1.00 0.00 H new ATOM 0 HA LYS A 21 12.301 0.990 1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.848 -1.322 -0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.693 0.297 -0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.921 0.254 -1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.074 0.451 0.712 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.766 -2.188 0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.269 -2.070 -0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.929 -0.521 0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.988 -2.261 1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.690 -1.500 -0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.579 -2.490 -1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.522 -0.804 -1.348 1.00 0.00 H new ATOM 355 N ILE A 22 9.278 -0.052 1.007 1.00 0.00 N ATOM 356 CA ILE A 22 7.896 0.373 0.798 1.00 0.00 C ATOM 357 C ILE A 22 7.288 1.010 2.044 1.00 0.00 C ATOM 358 O ILE A 22 6.465 1.920 1.944 1.00 0.00 O ATOM 359 CB ILE A 22 7.004 -0.806 0.364 1.00 0.00 C ATOM 360 CG1 ILE A 22 7.694 -1.628 -0.729 1.00 0.00 C ATOM 361 CG2 ILE A 22 5.656 -0.292 -0.118 1.00 0.00 C ATOM 362 CD1 ILE A 22 6.805 -2.688 -1.345 1.00 0.00 C ATOM 0 H ILE A 22 9.421 -1.059 0.934 1.00 0.00 H new ATOM 0 HA ILE A 22 7.933 1.120 0.005 1.00 0.00 H new ATOM 0 HB ILE A 22 6.840 -1.456 1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.040 -0.955 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.578 -2.107 -0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.033 -1.133 -0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.164 0.250 0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.804 0.376 -0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.361 -3.229 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.480 -3.384 -0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.933 -2.214 -1.797 1.00 0.00 H new ATOM 374 N PHE A 23 7.681 0.525 3.214 1.00 0.00 N ATOM 375 CA PHE A 23 7.151 1.054 4.467 1.00 0.00 C ATOM 376 C PHE A 23 8.001 2.210 4.982 1.00 0.00 C ATOM 377 O PHE A 23 7.484 3.118 5.632 1.00 0.00 O ATOM 378 CB PHE A 23 7.048 -0.056 5.522 1.00 0.00 C ATOM 379 CG PHE A 23 6.641 0.420 6.886 1.00 0.00 C ATOM 380 CD1 PHE A 23 5.308 0.629 7.194 1.00 0.00 C ATOM 381 CD2 PHE A 23 7.594 0.640 7.865 1.00 0.00 C ATOM 382 CE1 PHE A 23 4.931 1.049 8.454 1.00 0.00 C ATOM 383 CE2 PHE A 23 7.225 1.061 9.129 1.00 0.00 C ATOM 384 CZ PHE A 23 5.891 1.265 9.424 1.00 0.00 C ATOM 0 H PHE A 23 8.360 -0.228 3.324 1.00 0.00 H new ATOM 0 HA PHE A 23 6.150 1.438 4.271 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.328 -0.799 5.180 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.012 -0.558 5.599 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.554 0.462 6.440 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.638 0.481 7.639 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.887 1.208 8.681 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.978 1.230 9.884 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.599 1.593 10.411 1.00 0.00 H new ATOM 394 N GLU A 24 9.299 2.192 4.687 1.00 0.00 N ATOM 395 CA GLU A 24 10.173 3.270 5.134 1.00 0.00 C ATOM 396 C GLU A 24 9.932 4.524 4.307 1.00 0.00 C ATOM 397 O GLU A 24 9.883 5.632 4.839 1.00 0.00 O ATOM 398 CB GLU A 24 11.641 2.858 5.046 1.00 0.00 C ATOM 399 CG GLU A 24 12.607 3.939 5.505 1.00 0.00 C ATOM 400 CD GLU A 24 13.806 4.077 4.588 1.00 0.00 C ATOM 401 OE1 GLU A 24 13.610 4.104 3.355 1.00 0.00 O ATOM 402 OE2 GLU A 24 14.941 4.158 5.104 1.00 0.00 O ATOM 0 H GLU A 24 9.761 1.457 4.151 1.00 0.00 H new ATOM 0 HA GLU A 24 9.939 3.482 6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.795 1.964 5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.873 2.589 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.082 4.893 5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.950 3.710 6.514 1.00 0.00 H new ATOM 409 N LYS A 25 9.769 4.339 3.003 1.00 0.00 N ATOM 410 CA LYS A 25 9.517 5.456 2.105 1.00 0.00 C ATOM 411 C LYS A 25 8.104 5.984 2.311 1.00 0.00 C ATOM 412 O LYS A 25 7.858 7.187 2.217 1.00 0.00 O ATOM 413 CB LYS A 25 9.716 5.031 0.649 1.00 0.00 C ATOM 414 CG LYS A 25 11.169 4.774 0.284 1.00 0.00 C ATOM 415 CD LYS A 25 12.032 6.000 0.539 1.00 0.00 C ATOM 416 CE LYS A 25 13.269 6.009 -0.347 1.00 0.00 C ATOM 417 NZ LYS A 25 13.239 7.125 -1.331 1.00 0.00 N ATOM 0 H LYS A 25 9.807 3.428 2.546 1.00 0.00 H new ATOM 0 HA LYS A 25 10.228 6.251 2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.137 4.127 0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.317 5.807 -0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.548 3.933 0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.237 4.492 -0.767 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.447 6.902 0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.334 6.022 1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.160 6.097 0.275 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.343 5.059 -0.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.099 7.096 -1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.402 7.027 -1.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.195 8.033 -0.825 1.00 0.00 H new ATOM 431 N HIS A 26 7.182 5.075 2.608 1.00 0.00 N ATOM 432 CA HIS A 26 5.795 5.448 2.844 1.00 0.00 C ATOM 433 C HIS A 26 5.651 6.073 4.224 1.00 0.00 C ATOM 434 O HIS A 26 4.997 7.104 4.387 1.00 0.00 O ATOM 435 CB HIS A 26 4.882 4.226 2.721 1.00 0.00 C ATOM 436 CG HIS A 26 3.451 4.507 3.066 1.00 0.00 C ATOM 437 ND1 HIS A 26 2.785 5.642 2.651 1.00 0.00 N ATOM 438 CD2 HIS A 26 2.558 3.795 3.794 1.00 0.00 C ATOM 439 CE1 HIS A 26 1.546 5.616 3.109 1.00 0.00 C ATOM 440 NE2 HIS A 26 1.383 4.506 3.804 1.00 0.00 N ATOM 0 H HIS A 26 7.371 4.076 2.691 1.00 0.00 H new ATOM 0 HA HIS A 26 5.498 6.178 2.091 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.933 3.847 1.700 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.256 3.437 3.373 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.737 2.845 4.277 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.795 6.374 2.943 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.523 4.222 4.273 1.00 0.00 H new ATOM 449 N ASN A 27 6.272 5.444 5.215 1.00 0.00 N ATOM 450 CA ASN A 27 6.216 5.942 6.585 1.00 0.00 C ATOM 451 C ASN A 27 7.030 7.224 6.736 1.00 0.00 C ATOM 452 O ASN A 27 6.737 8.056 7.595 1.00 0.00 O ATOM 453 CB ASN A 27 6.726 4.882 7.563 1.00 0.00 C ATOM 454 CG ASN A 27 6.432 5.238 9.007 1.00 0.00 C ATOM 455 OD1 ASN A 27 7.284 5.781 9.710 1.00 0.00 O ATOM 456 ND2 ASN A 27 5.220 4.934 9.456 1.00 0.00 N ATOM 0 H ASN A 27 6.819 4.591 5.097 1.00 0.00 H new ATOM 0 HA ASN A 27 5.174 6.165 6.816 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.265 3.923 7.327 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.801 4.760 7.434 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.964 5.151 10.419 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.545 4.484 8.838 1.00 0.00 H new ATOM 463 N GLN A 28 8.047 7.385 5.895 1.00 0.00 N ATOM 464 CA GLN A 28 8.889 8.575 5.942 1.00 0.00 C ATOM 465 C GLN A 28 8.183 9.745 5.273 1.00 0.00 C ATOM 466 O GLN A 28 8.302 10.890 5.710 1.00 0.00 O ATOM 467 CB GLN A 28 10.233 8.312 5.260 1.00 0.00 C ATOM 468 CG GLN A 28 11.171 9.508 5.283 1.00 0.00 C ATOM 469 CD GLN A 28 11.449 10.003 6.689 1.00 0.00 C ATOM 470 OE1 GLN A 28 12.459 9.647 7.296 1.00 0.00 O ATOM 471 NE2 GLN A 28 10.550 10.828 7.214 1.00 0.00 N ATOM 0 H GLN A 28 8.307 6.710 5.176 1.00 0.00 H new ATOM 0 HA GLN A 28 9.074 8.824 6.987 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.721 7.469 5.749 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.055 8.020 4.225 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.112 9.237 4.805 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.737 10.317 4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.727 11.096 6.674 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.682 11.193 8.157 1.00 0.00 H new ATOM 480 N LEU A 29 7.433 9.444 4.221 1.00 0.00 N ATOM 481 CA LEU A 29 6.689 10.464 3.501 1.00 0.00 C ATOM 482 C LEU A 29 5.462 10.858 4.304 1.00 0.00 C ATOM 483 O LEU A 29 5.187 12.042 4.498 1.00 0.00 O ATOM 484 CB LEU A 29 6.286 9.957 2.115 1.00 0.00 C ATOM 485 CG LEU A 29 7.227 10.372 0.979 1.00 0.00 C ATOM 486 CD1 LEU A 29 7.828 9.149 0.304 1.00 0.00 C ATOM 487 CD2 LEU A 29 6.494 11.237 -0.038 1.00 0.00 C ATOM 0 H LEU A 29 7.325 8.501 3.849 1.00 0.00 H new ATOM 0 HA LEU A 29 7.323 11.341 3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.232 8.869 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.284 10.320 1.888 1.00 0.00 H new ATOM 0 HG LEU A 29 8.038 10.960 1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.493 9.467 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.393 8.571 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.030 8.532 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.180 11.521 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.660 10.676 -0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.117 12.134 0.452 1.00 0.00 H new ATOM 499 N ASP A 30 4.743 9.855 4.798 1.00 0.00 N ATOM 500 CA ASP A 30 3.560 10.099 5.611 1.00 0.00 C ATOM 501 C ASP A 30 3.951 10.868 6.869 1.00 0.00 C ATOM 502 O ASP A 30 3.122 11.532 7.490 1.00 0.00 O ATOM 503 CB ASP A 30 2.880 8.781 5.985 1.00 0.00 C ATOM 504 CG ASP A 30 1.429 8.970 6.379 1.00 0.00 C ATOM 505 OD1 ASP A 30 1.167 9.728 7.336 1.00 0.00 O ATOM 506 OD2 ASP A 30 0.553 8.359 5.730 1.00 0.00 O ATOM 0 H ASP A 30 4.959 8.869 4.649 1.00 0.00 H new ATOM 0 HA ASP A 30 2.853 10.694 5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.938 8.093 5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.420 8.318 6.811 1.00 0.00 H new ATOM 511 N ASP A 31 5.230 10.794 7.228 1.00 0.00 N ATOM 512 CA ASP A 31 5.726 11.514 8.388 1.00 0.00 C ATOM 513 C ASP A 31 6.009 12.958 7.996 1.00 0.00 C ATOM 514 O ASP A 31 5.895 13.871 8.812 1.00 0.00 O ATOM 515 CB ASP A 31 6.989 10.850 8.939 1.00 0.00 C ATOM 516 CG ASP A 31 6.699 9.950 10.124 1.00 0.00 C ATOM 517 OD1 ASP A 31 5.544 9.494 10.255 1.00 0.00 O ATOM 518 OD2 ASP A 31 7.628 9.699 10.920 1.00 0.00 O ATOM 0 H ASP A 31 5.934 10.246 6.734 1.00 0.00 H new ATOM 0 HA ASP A 31 4.970 11.493 9.173 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.463 10.266 8.150 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.701 11.620 9.237 1.00 0.00 H new ATOM 523 N ASP A 32 6.356 13.153 6.724 1.00 0.00 N ATOM 524 CA ASP A 32 6.629 14.484 6.202 1.00 0.00 C ATOM 525 C ASP A 32 5.321 15.173 5.832 1.00 0.00 C ATOM 526 O ASP A 32 5.188 16.390 5.962 1.00 0.00 O ATOM 527 CB ASP A 32 7.545 14.402 4.980 1.00 0.00 C ATOM 528 CG ASP A 32 9.010 14.554 5.345 1.00 0.00 C ATOM 529 OD1 ASP A 32 9.384 14.167 6.472 1.00 0.00 O ATOM 530 OD2 ASP A 32 9.782 15.059 4.503 1.00 0.00 O ATOM 0 H ASP A 32 6.454 12.404 6.039 1.00 0.00 H new ATOM 0 HA ASP A 32 7.133 15.066 6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.395 13.445 4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.268 15.180 4.269 1.00 0.00 H new ATOM 535 N ILE A 33 4.351 14.379 5.380 1.00 0.00 N ATOM 536 CA ILE A 33 3.051 14.898 5.003 1.00 0.00 C ATOM 537 C ILE A 33 2.315 15.414 6.233 1.00 0.00 C ATOM 538 O ILE A 33 1.623 16.430 6.175 1.00 0.00 O ATOM 539 CB ILE A 33 2.199 13.822 4.284 1.00 0.00 C ATOM 540 CG1 ILE A 33 1.559 12.857 5.287 1.00 0.00 C ATOM 541 CG2 ILE A 33 3.041 13.059 3.272 1.00 0.00 C ATOM 542 CD1 ILE A 33 0.696 11.796 4.639 1.00 0.00 C ATOM 0 H ILE A 33 4.449 13.370 5.268 1.00 0.00 H new ATOM 0 HA ILE A 33 3.208 15.722 4.307 1.00 0.00 H new ATOM 0 HB ILE A 33 1.396 14.334 3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.346 12.371 5.864 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.953 13.427 5.991 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.424 12.308 2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.433 13.753 2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.869 12.569 3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.276 11.149 5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.112 12.273 4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.302 11.201 3.956 1.00 0.00 H new ATOM 554 N LYS A 34 2.487 14.715 7.353 1.00 0.00 N ATOM 555 CA LYS A 34 1.855 15.119 8.600 1.00 0.00 C ATOM 556 C LYS A 34 2.607 16.297 9.200 1.00 0.00 C ATOM 557 O LYS A 34 2.003 17.239 9.712 1.00 0.00 O ATOM 558 CB LYS A 34 1.824 13.958 9.591 1.00 0.00 C ATOM 559 CG LYS A 34 3.202 13.432 9.959 1.00 0.00 C ATOM 560 CD LYS A 34 3.121 12.350 11.024 1.00 0.00 C ATOM 561 CE LYS A 34 4.219 12.508 12.063 1.00 0.00 C ATOM 562 NZ LYS A 34 3.989 11.639 13.252 1.00 0.00 N ATOM 0 H LYS A 34 3.056 13.871 7.419 1.00 0.00 H new ATOM 0 HA LYS A 34 0.828 15.417 8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.313 14.280 10.499 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.236 13.145 9.166 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.689 13.032 9.070 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.821 14.253 10.320 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.148 12.391 11.513 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.201 11.369 10.555 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.181 12.262 11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.272 13.550 12.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.760 11.776 13.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.083 11.891 13.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.964 10.643 12.954 1.00 0.00 H new ATOM 576 N THR A 35 3.932 16.244 9.110 1.00 0.00 N ATOM 577 CA THR A 35 4.769 17.318 9.621 1.00 0.00 C ATOM 578 C THR A 35 4.497 18.596 8.839 1.00 0.00 C ATOM 579 O THR A 35 4.578 19.700 9.377 1.00 0.00 O ATOM 580 CB THR A 35 6.248 16.942 9.520 1.00 0.00 C ATOM 581 OG1 THR A 35 6.522 15.775 10.273 1.00 0.00 O ATOM 582 CG2 THR A 35 7.180 18.031 10.006 1.00 0.00 C ATOM 0 H THR A 35 4.446 15.470 8.689 1.00 0.00 H new ATOM 0 HA THR A 35 4.529 17.482 10.672 1.00 0.00 H new ATOM 0 HB THR A 35 6.430 16.779 8.458 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.554 15.000 9.675 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.213 17.697 9.906 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.030 18.931 9.410 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.969 18.250 11.053 1.00 0.00 H new ATOM 590 N ALA A 36 4.158 18.429 7.563 1.00 0.00 N ATOM 591 CA ALA A 36 3.853 19.560 6.700 1.00 0.00 C ATOM 592 C ALA A 36 2.402 19.994 6.877 1.00 0.00 C ATOM 593 O ALA A 36 2.058 21.153 6.644 1.00 0.00 O ATOM 594 CB ALA A 36 4.129 19.206 5.247 1.00 0.00 C ATOM 0 H ALA A 36 4.088 17.520 7.106 1.00 0.00 H new ATOM 0 HA ALA A 36 4.497 20.393 6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.896 20.062 4.613 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.180 18.943 5.130 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.509 18.359 4.955 1.00 0.00 H new ATOM 600 N GLU A 37 1.553 19.057 7.297 1.00 0.00 N ATOM 601 CA GLU A 37 0.140 19.347 7.510 1.00 0.00 C ATOM 602 C GLU A 37 -0.076 20.035 8.857 1.00 0.00 C ATOM 603 O GLU A 37 -1.080 20.715 9.063 1.00 0.00 O ATOM 604 CB GLU A 37 -0.682 18.058 7.442 1.00 0.00 C ATOM 605 CG GLU A 37 -1.495 17.921 6.165 1.00 0.00 C ATOM 606 CD GLU A 37 -2.648 16.947 6.309 1.00 0.00 C ATOM 607 OE1 GLU A 37 -3.711 17.357 6.821 1.00 0.00 O ATOM 608 OE2 GLU A 37 -2.488 15.774 5.911 1.00 0.00 O ATOM 0 H GLU A 37 1.821 18.093 7.496 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.192 20.022 6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.010 17.204 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.356 18.021 8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.884 18.899 5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.843 17.589 5.357 1.00 0.00 H new ATOM 615 N GLN A 38 0.873 19.849 9.771 1.00 0.00 N ATOM 616 CA GLN A 38 0.787 20.448 11.098 1.00 0.00 C ATOM 617 C GLN A 38 0.658 21.965 11.009 1.00 0.00 C ATOM 618 O GLN A 38 -0.131 22.572 11.734 1.00 0.00 O ATOM 619 CB GLN A 38 2.018 20.078 11.927 1.00 0.00 C ATOM 620 CG GLN A 38 1.886 18.748 12.651 1.00 0.00 C ATOM 621 CD GLN A 38 3.178 18.317 13.317 1.00 0.00 C ATOM 622 OE1 GLN A 38 3.747 19.050 14.126 1.00 0.00 O ATOM 623 NE2 GLN A 38 3.649 17.122 12.979 1.00 0.00 N ATOM 0 H GLN A 38 1.710 19.288 9.616 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.105 20.056 11.586 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.889 20.041 11.273 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.202 20.864 12.659 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.101 18.824 13.404 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.574 17.982 11.942 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.145 16.547 12.304 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.515 16.779 13.395 1.00 0.00 H new ATOM 632 N GLN A 39 1.438 22.576 10.122 1.00 0.00 N ATOM 633 CA GLN A 39 1.405 24.024 9.951 1.00 0.00 C ATOM 634 C GLN A 39 0.977 24.404 8.537 1.00 0.00 C ATOM 635 O GLN A 39 0.464 25.501 8.310 1.00 0.00 O ATOM 636 CB GLN A 39 2.780 24.624 10.258 1.00 0.00 C ATOM 637 CG GLN A 39 3.820 24.361 9.179 1.00 0.00 C ATOM 638 CD GLN A 39 4.616 23.096 9.431 1.00 0.00 C ATOM 639 OE1 GLN A 39 5.187 22.911 10.505 1.00 0.00 O ATOM 640 NE2 GLN A 39 4.658 22.215 8.437 1.00 0.00 N ATOM 0 H GLN A 39 2.098 22.093 9.513 1.00 0.00 H new ATOM 0 HA GLN A 39 0.672 24.427 10.649 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.674 25.700 10.393 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.140 24.218 11.203 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.323 24.286 8.212 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.502 25.209 9.123 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.170 22.409 7.563 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.179 21.345 8.548 1.00 0.00 H new ATOM 649 N ASN A 40 1.206 23.500 7.585 1.00 0.00 N ATOM 650 CA ASN A 40 0.856 23.754 6.194 1.00 0.00 C ATOM 651 C ASN A 40 1.697 24.892 5.634 1.00 0.00 C ATOM 652 O ASN A 40 1.172 25.843 5.055 1.00 0.00 O ATOM 653 CB ASN A 40 -0.630 24.088 6.073 1.00 0.00 C ATOM 654 CG ASN A 40 -1.486 22.856 5.852 1.00 0.00 C ATOM 655 OD1 ASN A 40 -1.569 22.004 6.868 1.00 0.00 O flip ATOM 656 ND2 ASN A 40 -2.065 22.671 4.782 1.00 0.00 N flip ATOM 0 H ASN A 40 1.631 22.588 7.754 1.00 0.00 H new ATOM 0 HA ASN A 40 1.060 22.853 5.616 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.959 24.598 6.978 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.777 24.782 5.245 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.973 23.352 4.028 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.637 21.837 4.649 1.00 0.00 H new ATOM 663 N ALA A 41 3.012 24.785 5.814 1.00 0.00 N ATOM 664 CA ALA A 41 3.942 25.802 5.332 1.00 0.00 C ATOM 665 C ALA A 41 3.594 26.244 3.912 1.00 0.00 C ATOM 666 O ALA A 41 3.847 27.385 3.525 1.00 0.00 O ATOM 667 CB ALA A 41 5.369 25.278 5.386 1.00 0.00 C ATOM 0 H ALA A 41 3.458 24.002 6.292 1.00 0.00 H new ATOM 0 HA ALA A 41 3.857 26.671 5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.053 26.046 5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.624 25.021 6.414 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.455 24.391 4.759 1.00 0.00 H new ATOM 673 N SER A 42 3.008 25.332 3.142 1.00 0.00 N ATOM 674 CA SER A 42 2.620 25.626 1.770 1.00 0.00 C ATOM 675 C SER A 42 1.608 24.603 1.261 1.00 0.00 C ATOM 676 O SER A 42 1.915 23.415 1.147 1.00 0.00 O ATOM 677 CB SER A 42 3.850 25.643 0.861 1.00 0.00 C ATOM 678 OG SER A 42 4.339 26.961 0.689 1.00 0.00 O ATOM 0 H SER A 42 2.792 24.383 3.447 1.00 0.00 H new ATOM 0 HA SER A 42 2.154 26.611 1.753 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.631 25.015 1.289 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.595 25.217 -0.109 1.00 0.00 H new ATOM 0 HG SER A 42 4.322 27.431 1.549 1.00 0.00 H new ATOM 684 N ASP A 43 0.403 25.073 0.951 1.00 0.00 N ATOM 685 CA ASP A 43 -0.658 24.204 0.448 1.00 0.00 C ATOM 686 C ASP A 43 -0.136 23.316 -0.672 1.00 0.00 C ATOM 687 O ASP A 43 -0.295 22.096 -0.640 1.00 0.00 O ATOM 688 CB ASP A 43 -1.838 25.039 -0.052 1.00 0.00 C ATOM 689 CG ASP A 43 -3.175 24.390 0.251 1.00 0.00 C ATOM 690 OD1 ASP A 43 -3.587 24.401 1.430 1.00 0.00 O ATOM 691 OD2 ASP A 43 -3.809 23.870 -0.692 1.00 0.00 O ATOM 0 H ASP A 43 0.136 26.053 1.039 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.997 23.569 1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.803 26.026 0.410 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.745 25.187 -1.128 1.00 0.00 H new ATOM 696 N ALA A 44 0.504 23.939 -1.651 1.00 0.00 N ATOM 697 CA ALA A 44 1.073 23.208 -2.774 1.00 0.00 C ATOM 698 C ALA A 44 2.110 22.208 -2.277 1.00 0.00 C ATOM 699 O ALA A 44 2.332 21.167 -2.894 1.00 0.00 O ATOM 700 CB ALA A 44 1.696 24.170 -3.774 1.00 0.00 C ATOM 0 H ALA A 44 0.642 24.949 -1.690 1.00 0.00 H new ATOM 0 HA ALA A 44 0.275 22.662 -3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.117 23.607 -4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.932 24.853 -4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.486 24.741 -3.286 1.00 0.00 H new ATOM 706 N GLU A 45 2.732 22.533 -1.145 1.00 0.00 N ATOM 707 CA GLU A 45 3.739 21.668 -0.545 1.00 0.00 C ATOM 708 C GLU A 45 3.079 20.496 0.162 1.00 0.00 C ATOM 709 O GLU A 45 3.505 19.350 0.019 1.00 0.00 O ATOM 710 CB GLU A 45 4.594 22.457 0.447 1.00 0.00 C ATOM 711 CG GLU A 45 5.955 21.831 0.709 1.00 0.00 C ATOM 712 CD GLU A 45 7.080 22.566 0.008 1.00 0.00 C ATOM 713 OE1 GLU A 45 7.155 22.488 -1.237 1.00 0.00 O ATOM 714 OE2 GLU A 45 7.887 23.218 0.703 1.00 0.00 O ATOM 0 H GLU A 45 2.554 23.393 -0.626 1.00 0.00 H new ATOM 0 HA GLU A 45 4.380 21.285 -1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.736 23.469 0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.055 22.543 1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.146 21.821 1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.943 20.793 0.378 1.00 0.00 H new ATOM 721 N VAL A 46 2.033 20.790 0.922 1.00 0.00 N ATOM 722 CA VAL A 46 1.311 19.754 1.649 1.00 0.00 C ATOM 723 C VAL A 46 0.442 18.931 0.702 1.00 0.00 C ATOM 724 O VAL A 46 0.081 17.795 1.007 1.00 0.00 O ATOM 725 CB VAL A 46 0.423 20.343 2.763 1.00 0.00 C ATOM 726 CG1 VAL A 46 -0.084 19.237 3.674 1.00 0.00 C ATOM 727 CG2 VAL A 46 1.183 21.392 3.561 1.00 0.00 C ATOM 0 H VAL A 46 1.666 21.733 1.051 1.00 0.00 H new ATOM 0 HA VAL A 46 2.063 19.113 2.108 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.435 20.829 2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.710 19.668 4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.669 18.526 3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.763 18.723 4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.537 21.794 4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.062 20.936 4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.495 22.198 2.897 1.00 0.00 H new ATOM 737 N SER A 47 0.115 19.510 -0.450 1.00 0.00 N ATOM 738 CA SER A 47 -0.707 18.826 -1.441 1.00 0.00 C ATOM 739 C SER A 47 0.140 17.911 -2.316 1.00 0.00 C ATOM 740 O SER A 47 -0.367 16.957 -2.907 1.00 0.00 O ATOM 741 CB SER A 47 -1.451 19.842 -2.311 1.00 0.00 C ATOM 742 OG SER A 47 -2.642 19.287 -2.839 1.00 0.00 O ATOM 0 H SER A 47 0.407 20.450 -0.719 1.00 0.00 H new ATOM 0 HA SER A 47 -1.435 18.214 -0.909 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.689 20.726 -1.720 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.806 20.168 -3.127 1.00 0.00 H new ATOM 0 HG SER A 47 -3.099 19.957 -3.390 1.00 0.00 H new ATOM 748 N HIS A 48 1.430 18.206 -2.391 1.00 0.00 N ATOM 749 CA HIS A 48 2.347 17.409 -3.188 1.00 0.00 C ATOM 750 C HIS A 48 2.755 16.146 -2.440 1.00 0.00 C ATOM 751 O HIS A 48 2.945 15.088 -3.039 1.00 0.00 O ATOM 752 CB HIS A 48 3.576 18.240 -3.532 1.00 0.00 C ATOM 753 CG HIS A 48 4.085 18.016 -4.922 1.00 0.00 C ATOM 754 ND1 HIS A 48 3.273 18.068 -6.037 1.00 0.00 N ATOM 755 CD2 HIS A 48 5.330 17.743 -5.378 1.00 0.00 C ATOM 756 CE1 HIS A 48 3.997 17.833 -7.117 1.00 0.00 C ATOM 757 NE2 HIS A 48 5.248 17.634 -6.745 1.00 0.00 N ATOM 0 H HIS A 48 1.864 18.993 -1.908 1.00 0.00 H new ATOM 0 HA HIS A 48 1.845 17.109 -4.108 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.336 19.296 -3.409 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.370 18.009 -2.822 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.222 17.632 -4.779 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.628 17.808 -8.132 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.027 17.432 -7.371 1.00 0.00 H new ATOM 766 N MET A 49 2.887 16.267 -1.124 1.00 0.00 N ATOM 767 CA MET A 49 3.269 15.136 -0.288 1.00 0.00 C ATOM 768 C MET A 49 2.143 14.114 -0.218 1.00 0.00 C ATOM 769 O MET A 49 2.391 12.908 -0.170 1.00 0.00 O ATOM 770 CB MET A 49 3.635 15.610 1.119 1.00 0.00 C ATOM 771 CG MET A 49 4.725 16.670 1.141 1.00 0.00 C ATOM 772 SD MET A 49 6.346 15.990 1.544 1.00 0.00 S ATOM 773 CE MET A 49 7.278 16.451 0.085 1.00 0.00 C ATOM 0 H MET A 49 2.735 17.137 -0.613 1.00 0.00 H new ATOM 0 HA MET A 49 4.141 14.662 -0.737 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.743 16.008 1.602 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.961 14.753 1.708 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.772 17.158 0.167 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.466 17.438 1.870 1.00 0.00 H new ATOM 0 HE1 MET A 49 8.305 16.099 0.183 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.822 15.999 -0.796 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.275 17.536 -0.021 1.00 0.00 H new ATOM 783 N LYS A 50 0.906 14.598 -0.222 1.00 0.00 N ATOM 784 CA LYS A 50 -0.248 13.712 -0.169 1.00 0.00 C ATOM 785 C LYS A 50 -0.341 12.885 -1.439 1.00 0.00 C ATOM 786 O LYS A 50 -0.707 11.711 -1.399 1.00 0.00 O ATOM 787 CB LYS A 50 -1.536 14.499 0.020 1.00 0.00 C ATOM 788 CG LYS A 50 -1.508 15.449 1.208 1.00 0.00 C ATOM 789 CD LYS A 50 -2.281 14.889 2.393 1.00 0.00 C ATOM 790 CE LYS A 50 -3.325 15.874 2.899 1.00 0.00 C ATOM 791 NZ LYS A 50 -4.604 15.198 3.249 1.00 0.00 N ATOM 0 H LYS A 50 0.679 15.592 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.116 13.048 0.686 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.737 15.071 -0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.363 13.800 0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.475 15.634 1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.934 16.409 0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.769 13.959 2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.588 14.647 3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.938 16.394 3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.511 16.630 2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.288 15.904 3.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.987 14.722 2.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.432 14.495 3.996 1.00 0.00 H new ATOM 805 N LYS A 51 0.005 13.496 -2.569 1.00 0.00 N ATOM 806 CA LYS A 51 -0.026 12.791 -3.844 1.00 0.00 C ATOM 807 C LYS A 51 0.807 11.521 -3.742 1.00 0.00 C ATOM 808 O LYS A 51 0.507 10.510 -4.376 1.00 0.00 O ATOM 809 CB LYS A 51 0.499 13.688 -4.969 1.00 0.00 C ATOM 810 CG LYS A 51 -0.570 14.093 -5.972 1.00 0.00 C ATOM 811 CD LYS A 51 -0.032 15.086 -6.990 1.00 0.00 C ATOM 812 CE LYS A 51 -1.154 15.872 -7.648 1.00 0.00 C ATOM 813 NZ LYS A 51 -0.672 17.166 -8.204 1.00 0.00 N ATOM 0 H LYS A 51 0.307 14.469 -2.627 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.057 12.525 -4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.935 14.586 -4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.300 13.167 -5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.941 13.207 -6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.417 14.533 -5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.657 15.774 -6.500 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.537 14.555 -7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.596 15.276 -8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.941 16.061 -6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.467 17.672 -8.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.274 17.746 -7.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.062 16.985 -8.919 1.00 0.00 H new ATOM 827 N GLN A 52 1.845 11.581 -2.912 1.00 0.00 N ATOM 828 CA GLN A 52 2.713 10.437 -2.690 1.00 0.00 C ATOM 829 C GLN A 52 2.064 9.466 -1.706 1.00 0.00 C ATOM 830 O GLN A 52 2.436 8.296 -1.642 1.00 0.00 O ATOM 831 CB GLN A 52 4.072 10.892 -2.158 1.00 0.00 C ATOM 832 CG GLN A 52 4.785 11.877 -3.072 1.00 0.00 C ATOM 833 CD GLN A 52 5.981 11.262 -3.772 1.00 0.00 C ATOM 834 OE1 GLN A 52 7.111 11.728 -3.620 1.00 0.00 O ATOM 835 NE2 GLN A 52 5.739 10.210 -4.545 1.00 0.00 N ATOM 0 H GLN A 52 2.103 12.414 -2.383 1.00 0.00 H new ATOM 0 HA GLN A 52 2.864 9.928 -3.642 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.934 11.352 -1.179 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.707 10.018 -2.013 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.083 12.248 -3.819 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.113 12.737 -2.488 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.787 9.857 -4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.505 9.755 -5.041 1.00 0.00 H new ATOM 844 N LYS A 53 1.088 9.960 -0.942 1.00 0.00 N ATOM 845 CA LYS A 53 0.384 9.132 0.030 1.00 0.00 C ATOM 846 C LYS A 53 -0.401 8.031 -0.668 1.00 0.00 C ATOM 847 O LYS A 53 -0.119 6.846 -0.501 1.00 0.00 O ATOM 848 CB LYS A 53 -0.570 9.993 0.852 1.00 0.00 C ATOM 849 CG LYS A 53 -0.809 9.466 2.258 1.00 0.00 C ATOM 850 CD LYS A 53 -2.271 9.582 2.658 1.00 0.00 C ATOM 851 CE LYS A 53 -2.679 11.032 2.862 1.00 0.00 C ATOM 852 NZ LYS A 53 -4.154 11.213 2.761 1.00 0.00 N ATOM 0 H LYS A 53 0.770 10.928 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 53 1.122 8.674 0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.169 11.005 0.916 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.525 10.061 0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.497 8.423 2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.193 10.021 2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.897 9.132 1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.444 9.022 3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.338 11.371 3.840 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.185 11.656 2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.392 12.215 2.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.477 10.913 1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.625 10.637 3.488 1.00 0.00 H new ATOM 866 N LEU A 54 -1.386 8.442 -1.457 1.00 0.00 N ATOM 867 CA LEU A 54 -2.221 7.507 -2.198 1.00 0.00 C ATOM 868 C LEU A 54 -1.359 6.636 -3.100 1.00 0.00 C ATOM 869 O LEU A 54 -1.731 5.512 -3.438 1.00 0.00 O ATOM 870 CB LEU A 54 -3.257 8.262 -3.033 1.00 0.00 C ATOM 871 CG LEU A 54 -4.262 7.376 -3.772 1.00 0.00 C ATOM 872 CD1 LEU A 54 -5.580 7.318 -3.014 1.00 0.00 C ATOM 873 CD2 LEU A 54 -4.481 7.885 -5.188 1.00 0.00 C ATOM 0 H LEU A 54 -1.626 9.423 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.745 6.870 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.805 8.939 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.733 8.879 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.855 6.367 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.283 6.684 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.410 6.906 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.993 8.323 -2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.199 7.243 -5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.867 8.904 -5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.535 7.874 -5.729 1.00 0.00 H new ATOM 885 N LYS A 55 -0.195 7.160 -3.467 1.00 0.00 N ATOM 886 CA LYS A 55 0.733 6.423 -4.311 1.00 0.00 C ATOM 887 C LYS A 55 1.505 5.434 -3.463 1.00 0.00 C ATOM 888 O LYS A 55 1.634 4.260 -3.813 1.00 0.00 O ATOM 889 CB LYS A 55 1.689 7.377 -5.034 1.00 0.00 C ATOM 890 CG LYS A 55 1.713 7.186 -6.541 1.00 0.00 C ATOM 891 CD LYS A 55 2.907 7.885 -7.171 1.00 0.00 C ATOM 892 CE LYS A 55 4.034 6.908 -7.462 1.00 0.00 C ATOM 893 NZ LYS A 55 5.035 7.479 -8.405 1.00 0.00 N ATOM 0 H LYS A 55 0.126 8.089 -3.194 1.00 0.00 H new ATOM 0 HA LYS A 55 0.169 5.882 -5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.402 8.404 -4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.696 7.235 -4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.748 6.122 -6.774 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.792 7.576 -6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.598 8.372 -8.096 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.266 8.668 -6.503 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.528 6.636 -6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.620 5.992 -7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.787 6.781 -8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.569 7.716 -9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.449 8.339 -7.993 1.00 0.00 H new ATOM 907 N LEU A 56 1.975 5.907 -2.319 1.00 0.00 N ATOM 908 CA LEU A 56 2.687 5.054 -1.390 1.00 0.00 C ATOM 909 C LEU A 56 1.698 4.097 -0.739 1.00 0.00 C ATOM 910 O LEU A 56 2.090 3.130 -0.085 1.00 0.00 O ATOM 911 CB LEU A 56 3.401 5.889 -0.326 1.00 0.00 C ATOM 912 CG LEU A 56 4.549 6.756 -0.845 1.00 0.00 C ATOM 913 CD1 LEU A 56 4.692 8.012 0.000 1.00 0.00 C ATOM 914 CD2 LEU A 56 5.850 5.967 -0.856 1.00 0.00 C ATOM 0 H LEU A 56 1.875 6.876 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 56 3.444 4.486 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.669 6.535 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.790 5.218 0.440 1.00 0.00 H new ATOM 0 HG LEU A 56 4.320 7.055 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.514 8.617 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.767 8.587 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.898 7.734 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.656 6.599 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.085 5.638 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.743 5.097 -1.504 1.00 0.00 H new ATOM 926 N LYS A 57 0.404 4.363 -0.945 1.00 0.00 N ATOM 927 CA LYS A 57 -0.637 3.507 -0.398 1.00 0.00 C ATOM 928 C LYS A 57 -0.917 2.368 -1.364 1.00 0.00 C ATOM 929 O LYS A 57 -1.240 1.257 -0.954 1.00 0.00 O ATOM 930 CB LYS A 57 -1.921 4.300 -0.142 1.00 0.00 C ATOM 931 CG LYS A 57 -3.102 3.429 0.266 1.00 0.00 C ATOM 932 CD LYS A 57 -4.426 4.120 -0.016 1.00 0.00 C ATOM 933 CE LYS A 57 -5.559 3.505 0.790 1.00 0.00 C ATOM 934 NZ LYS A 57 -6.807 3.381 -0.013 1.00 0.00 N ATOM 0 H LYS A 57 0.061 5.159 -1.483 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.291 3.105 0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.735 5.035 0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.183 4.854 -1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.062 2.483 -0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.032 3.193 1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.342 5.180 0.223 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.655 4.050 -1.079 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.258 2.520 1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.753 4.118 1.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.555 2.958 0.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.109 4.323 -0.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.629 2.775 -0.840 1.00 0.00 H new ATOM 948 N ASP A 58 -0.784 2.655 -2.655 1.00 0.00 N ATOM 949 CA ASP A 58 -1.017 1.650 -3.680 1.00 0.00 C ATOM 950 C ASP A 58 -0.042 0.493 -3.515 1.00 0.00 C ATOM 951 O ASP A 58 -0.385 -0.658 -3.772 1.00 0.00 O ATOM 952 CB ASP A 58 -0.879 2.267 -5.074 1.00 0.00 C ATOM 953 CG ASP A 58 -2.215 2.406 -5.780 1.00 0.00 C ATOM 954 OD1 ASP A 58 -3.148 2.976 -5.176 1.00 0.00 O ATOM 955 OD2 ASP A 58 -2.326 1.946 -6.935 1.00 0.00 O ATOM 0 H ASP A 58 -0.517 3.572 -3.013 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.032 1.269 -3.569 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.412 3.248 -4.989 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.215 1.649 -5.678 1.00 0.00 H new ATOM 960 N GLU A 59 1.172 0.807 -3.075 1.00 0.00 N ATOM 961 CA GLU A 59 2.194 -0.212 -2.867 1.00 0.00 C ATOM 962 C GLU A 59 1.913 -1.006 -1.596 1.00 0.00 C ATOM 963 O GLU A 59 2.072 -2.227 -1.564 1.00 0.00 O ATOM 964 CB GLU A 59 3.578 0.432 -2.785 1.00 0.00 C ATOM 965 CG GLU A 59 3.679 1.530 -1.739 1.00 0.00 C ATOM 966 CD GLU A 59 5.033 2.211 -1.736 1.00 0.00 C ATOM 967 OE1 GLU A 59 5.634 2.343 -2.823 1.00 0.00 O ATOM 968 OE2 GLU A 59 5.494 2.613 -0.647 1.00 0.00 O ATOM 0 H GLU A 59 1.472 1.757 -2.856 1.00 0.00 H new ATOM 0 HA GLU A 59 2.171 -0.895 -3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.315 -0.339 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.835 0.846 -3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.903 2.273 -1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.488 1.106 -0.753 1.00 0.00 H new ATOM 975 N ILE A 60 1.481 -0.304 -0.553 1.00 0.00 N ATOM 976 CA ILE A 60 1.162 -0.939 0.718 1.00 0.00 C ATOM 977 C ILE A 60 -0.155 -1.695 0.605 1.00 0.00 C ATOM 978 O ILE A 60 -0.316 -2.772 1.175 1.00 0.00 O ATOM 979 CB ILE A 60 1.065 0.098 1.860 1.00 0.00 C ATOM 980 CG1 ILE A 60 2.438 0.720 2.132 1.00 0.00 C ATOM 981 CG2 ILE A 60 0.507 -0.539 3.127 1.00 0.00 C ATOM 982 CD1 ILE A 60 3.463 -0.268 2.649 1.00 0.00 C ATOM 0 H ILE A 60 1.344 0.707 -0.565 1.00 0.00 H new ATOM 0 HA ILE A 60 1.968 -1.634 0.955 1.00 0.00 H new ATOM 0 HB ILE A 60 0.380 0.887 1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.812 1.170 1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.325 1.525 2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.448 0.211 3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.489 -0.934 2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.162 -1.350 3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.410 0.245 2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.112 -0.700 3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.606 -1.061 1.915 1.00 0.00 H new ATOM 994 N HIS A 61 -1.086 -1.124 -0.152 1.00 0.00 N ATOM 995 CA HIS A 61 -2.385 -1.745 -0.363 1.00 0.00 C ATOM 996 C HIS A 61 -2.243 -2.895 -1.344 1.00 0.00 C ATOM 997 O HIS A 61 -2.842 -3.957 -1.168 1.00 0.00 O ATOM 998 CB HIS A 61 -3.391 -0.722 -0.893 1.00 0.00 C ATOM 999 CG HIS A 61 -4.811 -1.191 -0.833 1.00 0.00 C ATOM 1000 ND1 HIS A 61 -5.798 -0.713 -1.669 1.00 0.00 N ATOM 1001 CD2 HIS A 61 -5.409 -2.103 -0.029 1.00 0.00 C ATOM 1002 CE1 HIS A 61 -6.942 -1.309 -1.382 1.00 0.00 C ATOM 1003 NE2 HIS A 61 -6.733 -2.157 -0.392 1.00 0.00 N ATOM 0 H HIS A 61 -0.963 -0.231 -0.629 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.754 -2.125 0.590 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.297 0.199 -0.318 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.140 -0.480 -1.926 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.934 -2.679 0.751 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.887 -1.132 -1.874 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.440 -2.756 0.035 1.00 0.00 H new ATOM 1012 N SER A 62 -1.426 -2.682 -2.369 1.00 0.00 N ATOM 1013 CA SER A 62 -1.184 -3.710 -3.370 1.00 0.00 C ATOM 1014 C SER A 62 -0.516 -4.917 -2.725 1.00 0.00 C ATOM 1015 O SER A 62 -0.733 -6.055 -3.141 1.00 0.00 O ATOM 1016 CB SER A 62 -0.306 -3.173 -4.502 1.00 0.00 C ATOM 1017 OG SER A 62 0.085 -4.213 -5.381 1.00 0.00 O ATOM 0 H SER A 62 -0.922 -1.809 -2.527 1.00 0.00 H new ATOM 0 HA SER A 62 -2.143 -4.010 -3.791 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.850 -2.409 -5.057 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.579 -2.694 -4.084 1.00 0.00 H new ATOM 0 HG SER A 62 0.644 -3.844 -6.096 1.00 0.00 H new ATOM 1023 N MET A 63 0.294 -4.661 -1.698 1.00 0.00 N ATOM 1024 CA MET A 63 0.985 -5.734 -0.993 1.00 0.00 C ATOM 1025 C MET A 63 -0.014 -6.734 -0.426 1.00 0.00 C ATOM 1026 O MET A 63 0.160 -7.945 -0.562 1.00 0.00 O ATOM 1027 CB MET A 63 1.852 -5.161 0.130 1.00 0.00 C ATOM 1028 CG MET A 63 2.887 -6.139 0.660 1.00 0.00 C ATOM 1029 SD MET A 63 4.027 -5.377 1.830 1.00 0.00 S ATOM 1030 CE MET A 63 4.572 -3.951 0.891 1.00 0.00 C ATOM 0 H MET A 63 0.485 -3.726 -1.339 1.00 0.00 H new ATOM 0 HA MET A 63 1.628 -6.252 -1.704 1.00 0.00 H new ATOM 0 HB2 MET A 63 2.361 -4.269 -0.235 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.207 -4.847 0.951 1.00 0.00 H new ATOM 0 HG2 MET A 63 2.379 -6.973 1.144 1.00 0.00 H new ATOM 0 HG3 MET A 63 3.452 -6.552 -0.175 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.512 -3.583 1.302 1.00 0.00 H new ATOM 0 HE2 MET A 63 4.718 -4.236 -0.151 1.00 0.00 H new ATOM 0 HE3 MET A 63 3.818 -3.166 0.951 1.00 0.00 H new ATOM 1040 N ILE A 64 -1.066 -6.222 0.203 1.00 0.00 N ATOM 1041 CA ILE A 64 -2.097 -7.076 0.777 1.00 0.00 C ATOM 1042 C ILE A 64 -2.783 -7.886 -0.311 1.00 0.00 C ATOM 1043 O ILE A 64 -3.193 -9.023 -0.087 1.00 0.00 O ATOM 1044 CB ILE A 64 -3.151 -6.254 1.539 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -2.491 -5.483 2.681 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -4.259 -7.156 2.071 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -2.658 -3.988 2.565 1.00 0.00 C ATOM 0 H ILE A 64 -1.226 -5.222 0.328 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.606 -7.749 1.481 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.599 -5.540 0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.915 -5.817 3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.428 -5.722 2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.993 -6.554 2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.745 -7.665 1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.832 -7.895 2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.166 -3.501 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.209 -3.643 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.719 -3.739 2.571 1.00 0.00 H new ATOM 1059 N ILE A 65 -2.893 -7.298 -1.499 1.00 0.00 N ATOM 1060 CA ILE A 65 -3.515 -7.980 -2.624 1.00 0.00 C ATOM 1061 C ILE A 65 -2.788 -9.284 -2.907 1.00 0.00 C ATOM 1062 O ILE A 65 -3.409 -10.331 -3.086 1.00 0.00 O ATOM 1063 CB ILE A 65 -3.500 -7.109 -3.893 1.00 0.00 C ATOM 1064 CG1 ILE A 65 -4.098 -5.729 -3.604 1.00 0.00 C ATOM 1065 CG2 ILE A 65 -4.260 -7.795 -5.018 1.00 0.00 C ATOM 1066 CD1 ILE A 65 -5.495 -5.783 -3.021 1.00 0.00 C ATOM 0 H ILE A 65 -2.561 -6.356 -1.705 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.552 -8.180 -2.355 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.465 -6.976 -4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.445 -5.197 -2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.121 -5.152 -4.528 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.240 -7.166 -5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.792 -8.754 -5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.294 -7.958 -4.712 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.854 -4.769 -2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.162 -6.286 -3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.475 -6.332 -2.080 1.00 0.00 H new ATOM 1078 N GLU A 66 -1.461 -9.214 -2.922 1.00 0.00 N ATOM 1079 CA GLU A 66 -0.643 -10.394 -3.155 1.00 0.00 C ATOM 1080 C GLU A 66 -0.613 -11.267 -1.903 1.00 0.00 C ATOM 1081 O GLU A 66 -0.228 -12.435 -1.958 1.00 0.00 O ATOM 1082 CB GLU A 66 0.779 -9.990 -3.550 1.00 0.00 C ATOM 1083 CG GLU A 66 0.988 -9.889 -5.053 1.00 0.00 C ATOM 1084 CD GLU A 66 2.453 -9.919 -5.441 1.00 0.00 C ATOM 1085 OE1 GLU A 66 3.167 -10.844 -4.995 1.00 0.00 O ATOM 1086 OE2 GLU A 66 2.888 -9.021 -6.190 1.00 0.00 O ATOM 0 H GLU A 66 -0.932 -8.354 -2.776 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.081 -10.965 -3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.015 -9.029 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.481 -10.717 -3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.469 -10.712 -5.544 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.538 -8.965 -5.417 1.00 0.00 H new ATOM 1093 N TYR A 67 -1.024 -10.689 -0.774 1.00 0.00 N ATOM 1094 CA TYR A 67 -1.048 -11.415 0.490 1.00 0.00 C ATOM 1095 C TYR A 67 -2.358 -12.178 0.653 1.00 0.00 C ATOM 1096 O TYR A 67 -2.374 -13.307 1.143 1.00 0.00 O ATOM 1097 CB TYR A 67 -0.857 -10.447 1.659 1.00 0.00 C ATOM 1098 CG TYR A 67 0.194 -10.894 2.649 1.00 0.00 C ATOM 1099 CD1 TYR A 67 1.538 -10.610 2.440 1.00 0.00 C ATOM 1100 CD2 TYR A 67 -0.157 -11.601 3.791 1.00 0.00 C ATOM 1101 CE1 TYR A 67 2.502 -11.019 3.342 1.00 0.00 C ATOM 1102 CE2 TYR A 67 0.800 -12.012 4.699 1.00 0.00 C ATOM 1103 CZ TYR A 67 2.128 -11.718 4.470 1.00 0.00 C ATOM 1104 OH TYR A 67 3.085 -12.126 5.371 1.00 0.00 O ATOM 0 H TYR A 67 -1.344 -9.722 -0.712 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.229 -12.134 0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.582 -9.467 1.268 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.807 -10.327 2.180 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.834 -10.061 1.558 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.196 -11.834 3.973 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.543 -10.792 3.164 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.510 -12.560 5.583 1.00 0.00 H new ATOM 0 HH TYR A 67 2.655 -12.605 6.110 1.00 0.00 H new ATOM 1114 N ARG A 68 -3.452 -11.554 0.234 1.00 0.00 N ATOM 1115 CA ARG A 68 -4.768 -12.172 0.329 1.00 0.00 C ATOM 1116 C ARG A 68 -4.954 -13.215 -0.769 1.00 0.00 C ATOM 1117 O ARG A 68 -5.720 -14.166 -0.612 1.00 0.00 O ATOM 1118 CB ARG A 68 -5.864 -11.107 0.239 1.00 0.00 C ATOM 1119 CG ARG A 68 -5.949 -10.432 -1.122 1.00 0.00 C ATOM 1120 CD ARG A 68 -7.278 -10.713 -1.805 1.00 0.00 C ATOM 1121 NE ARG A 68 -8.406 -10.165 -1.055 1.00 0.00 N ATOM 1122 CZ ARG A 68 -8.768 -8.884 -1.089 1.00 0.00 C ATOM 1123 NH1 ARG A 68 -8.093 -8.017 -1.833 1.00 0.00 N ATOM 1124 NH2 ARG A 68 -9.805 -8.471 -0.376 1.00 0.00 N ATOM 0 H ARG A 68 -3.454 -10.620 -0.175 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.843 -12.672 1.295 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.825 -11.567 0.467 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.685 -10.348 1.001 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.821 -9.356 -1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.133 -10.783 -1.754 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.268 -10.286 -2.808 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.407 -11.789 -1.918 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.948 -10.801 -0.471 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.293 -8.331 -2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.374 -7.037 -1.856 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.325 -9.134 0.198 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.083 -7.490 -0.401 1.00 0.00 H new ATOM 1138 N GLU A 69 -4.243 -13.034 -1.878 1.00 0.00 N ATOM 1139 CA GLU A 69 -4.323 -13.962 -3.000 1.00 0.00 C ATOM 1140 C GLU A 69 -3.397 -15.156 -2.787 1.00 0.00 C ATOM 1141 O GLU A 69 -3.547 -16.188 -3.433 1.00 0.00 O ATOM 1142 CB GLU A 69 -3.969 -13.249 -4.306 1.00 0.00 C ATOM 1143 CG GLU A 69 -4.845 -13.659 -5.479 1.00 0.00 C ATOM 1144 CD GLU A 69 -4.192 -13.382 -6.818 1.00 0.00 C ATOM 1145 OE1 GLU A 69 -4.125 -12.199 -7.214 1.00 0.00 O ATOM 1146 OE2 GLU A 69 -3.746 -14.348 -7.473 1.00 0.00 O ATOM 0 H GLU A 69 -3.604 -12.252 -2.023 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.347 -14.329 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.055 -12.173 -4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.927 -13.455 -4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.073 -14.722 -5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.793 -13.125 -5.424 1.00 0.00 H new ATOM 1153 N LYS A 70 -2.449 -15.012 -1.866 1.00 0.00 N ATOM 1154 CA LYS A 70 -1.513 -16.076 -1.550 1.00 0.00 C ATOM 1155 C LYS A 70 -2.082 -16.929 -0.430 1.00 0.00 C ATOM 1156 O LYS A 70 -2.025 -18.154 -0.476 1.00 0.00 O ATOM 1157 CB LYS A 70 -0.158 -15.492 -1.139 1.00 0.00 C ATOM 1158 CG LYS A 70 0.808 -16.519 -0.567 1.00 0.00 C ATOM 1159 CD LYS A 70 2.105 -15.871 -0.113 1.00 0.00 C ATOM 1160 CE LYS A 70 3.302 -16.769 -0.385 1.00 0.00 C ATOM 1161 NZ LYS A 70 4.047 -16.348 -1.604 1.00 0.00 N ATOM 0 H LYS A 70 -2.312 -14.159 -1.323 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.362 -16.695 -2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.301 -15.020 -2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.320 -14.709 -0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.341 -17.030 0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.023 -17.277 -1.320 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.238 -14.920 -0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.049 -15.650 0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.972 -16.751 0.474 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.964 -17.798 -0.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.855 -16.985 -1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.415 -16.390 -2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.392 -15.375 -1.481 1.00 0.00 H new ATOM 1175 N GLN A 71 -2.645 -16.264 0.571 1.00 0.00 N ATOM 1176 CA GLN A 71 -3.242 -16.954 1.703 1.00 0.00 C ATOM 1177 C GLN A 71 -4.569 -17.580 1.305 1.00 0.00 C ATOM 1178 O GLN A 71 -4.993 -18.574 1.887 1.00 0.00 O ATOM 1179 CB GLN A 71 -3.441 -15.991 2.873 1.00 0.00 C ATOM 1180 CG GLN A 71 -3.902 -16.672 4.151 1.00 0.00 C ATOM 1181 CD GLN A 71 -4.979 -15.888 4.875 1.00 0.00 C ATOM 1182 OE1 GLN A 71 -5.790 -15.205 4.251 1.00 0.00 O ATOM 1183 NE2 GLN A 71 -4.990 -15.983 6.199 1.00 0.00 N ATOM 0 H GLN A 71 -2.700 -15.247 0.620 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.564 -17.747 2.018 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.504 -15.470 3.067 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.173 -15.235 2.590 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.280 -17.666 3.912 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.048 -16.807 4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.298 -16.562 6.675 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.691 -15.477 6.741 1.00 0.00 H new ATOM 1192 N LYS A 72 -5.224 -17.008 0.303 1.00 0.00 N ATOM 1193 CA LYS A 72 -6.493 -17.549 -0.154 1.00 0.00 C ATOM 1194 C LYS A 72 -6.264 -18.578 -1.250 1.00 0.00 C ATOM 1195 O LYS A 72 -7.060 -19.496 -1.432 1.00 0.00 O ATOM 1196 CB LYS A 72 -7.419 -16.434 -0.646 1.00 0.00 C ATOM 1197 CG LYS A 72 -8.758 -16.938 -1.164 1.00 0.00 C ATOM 1198 CD LYS A 72 -8.995 -16.528 -2.611 1.00 0.00 C ATOM 1199 CE LYS A 72 -10.088 -15.476 -2.723 1.00 0.00 C ATOM 1200 NZ LYS A 72 -9.724 -14.395 -3.679 1.00 0.00 N ATOM 0 H LYS A 72 -4.902 -16.182 -0.201 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.978 -18.040 0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.595 -15.733 0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.917 -15.880 -1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.793 -18.024 -1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.560 -16.546 -0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.070 -16.139 -3.036 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.271 -17.404 -3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.015 -15.949 -3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.277 -15.043 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.495 -13.699 -3.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.853 -13.926 -3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.569 -14.804 -4.623 1.00 0.00 H new ATOM 1214 N SER A 73 -5.156 -18.441 -1.957 1.00 0.00 N ATOM 1215 CA SER A 73 -4.812 -19.386 -3.001 1.00 0.00 C ATOM 1216 C SER A 73 -4.037 -20.535 -2.384 1.00 0.00 C ATOM 1217 O SER A 73 -4.184 -21.690 -2.784 1.00 0.00 O ATOM 1218 CB SER A 73 -3.977 -18.713 -4.081 1.00 0.00 C ATOM 1219 OG SER A 73 -3.668 -19.617 -5.129 1.00 0.00 O ATOM 0 H SER A 73 -4.482 -17.687 -1.827 1.00 0.00 H new ATOM 0 HA SER A 73 -5.725 -19.760 -3.464 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.520 -17.858 -4.483 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.055 -18.329 -3.645 1.00 0.00 H new ATOM 0 HG SER A 73 -3.133 -19.158 -5.810 1.00 0.00 H new ATOM 1225 N GLU A 74 -3.217 -20.203 -1.390 1.00 0.00 N ATOM 1226 CA GLU A 74 -2.423 -21.208 -0.699 1.00 0.00 C ATOM 1227 C GLU A 74 -3.220 -21.850 0.434 1.00 0.00 C ATOM 1228 O GLU A 74 -3.207 -23.072 0.589 1.00 0.00 O ATOM 1229 CB GLU A 74 -1.134 -20.597 -0.146 1.00 0.00 C ATOM 1230 CG GLU A 74 -0.125 -21.629 0.326 1.00 0.00 C ATOM 1231 CD GLU A 74 1.276 -21.063 0.446 1.00 0.00 C ATOM 1232 OE1 GLU A 74 1.778 -20.504 -0.553 1.00 0.00 O ATOM 1233 OE2 GLU A 74 1.872 -21.177 1.537 1.00 0.00 O ATOM 0 H GLU A 74 -3.087 -19.251 -1.048 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.164 -21.980 -1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.675 -19.979 -0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.382 -19.937 0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.438 -22.022 1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.116 -22.467 -0.370 1.00 0.00 H new ATOM 1240 N ARG A 75 -3.919 -21.033 1.225 1.00 0.00 N ATOM 1241 CA ARG A 75 -4.713 -21.560 2.328 1.00 0.00 C ATOM 1242 C ARG A 75 -6.142 -21.842 1.879 1.00 0.00 C ATOM 1243 O ARG A 75 -6.764 -22.804 2.332 1.00 0.00 O ATOM 1244 CB ARG A 75 -4.704 -20.595 3.518 1.00 0.00 C ATOM 1245 CG ARG A 75 -4.312 -21.250 4.833 1.00 0.00 C ATOM 1246 CD ARG A 75 -5.194 -22.447 5.152 1.00 0.00 C ATOM 1247 NE ARG A 75 -4.410 -23.656 5.393 1.00 0.00 N ATOM 1248 CZ ARG A 75 -4.879 -24.733 6.017 1.00 0.00 C ATOM 1249 NH1 ARG A 75 -6.129 -24.757 6.464 1.00 0.00 N ATOM 1250 NH2 ARG A 75 -4.098 -25.790 6.194 1.00 0.00 N ATOM 0 H ARG A 75 -3.950 -20.019 1.122 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.262 -22.499 2.648 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.012 -19.780 3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.695 -20.153 3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.271 -21.568 4.784 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.385 -20.520 5.639 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.800 -22.227 6.031 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.883 -22.620 4.325 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.445 -23.675 5.063 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.734 -23.947 6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.484 -25.585 6.942 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.137 -25.777 5.852 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.458 -26.616 6.673 1.00 0.00 H new ATOM 1264 N ALA A 76 -6.657 -20.998 0.985 1.00 0.00 N ATOM 1265 CA ALA A 76 -8.021 -21.162 0.477 1.00 0.00 C ATOM 1266 C ALA A 76 -9.003 -21.486 1.600 1.00 0.00 C ATOM 1267 O ALA A 76 -10.075 -22.053 1.302 1.00 0.00 O ATOM 1268 CB ALA A 76 -8.059 -22.246 -0.589 1.00 0.00 C ATOM 1269 OXT ALA A 76 -8.691 -21.170 2.767 1.00 0.00 O ATOM 0 H ALA A 76 -6.155 -20.198 0.599 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.327 -20.215 0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.078 -22.358 -0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.403 -21.968 -1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.723 -23.190 -0.160 1.00 0.00 H new