USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 643 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 109 LYS NZ :NH3+ -168:sc= 2.13 (180deg=1.3) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.27 K(o=4.4,f=-3.9) USER MOD Set 2.1: A 92 GLN : amide:sc= 0.956 K(o=2.1,f=-3.2!) USER MOD Set 2.2: A 95 CYS SG : rot 130:sc= 1.12 USER MOD Set 3.1: A 56 ASN : amide:sc= 0.162 X(o=0.96,f=1.2) USER MOD Set 3.2: A 71 ASN : amide:sc= 0.797 X(o=0.96,f=1.2) USER MOD Set 4.1: A 64 ASN : amide:sc= -0.901 K(o=-1.6,f=-5.4!) USER MOD Set 4.2: A 66 GLN : amide:sc= -0.725 K(o=-1.6,f=-0.37) USER MOD Set 5.1: A 55 SER OG : rot -170:sc= 0.0572 USER MOD Set 5.2: A 57 THR OG1 : rot -170:sc= 0.699 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 74 ASN : amide:sc= 0.51 K(o=0.51,f=-6.5!) USER MOD Single : A 76 MET CE :methyl 172:sc= 0 (180deg=-0.0427) USER MOD Single : A 77 SER OG : rot 98:sc= 1.26 USER MOD Single : A 79 HIS : no HD1:sc= -5.77 K(o=-5.8,f=-5!) USER MOD Single : A 81 CYS SG : rot 50:sc= 0.589 USER MOD Single : A 83 MET CE :methyl 153:sc= -0.184 (180deg=-0.915) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0507) USER MOD Single : A 96 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.284 K(o=2,f=-11!) USER MOD Single : A 105 HIS : no HD1:sc= -4.41! C(o=-4.4!,f=-4.3!) USER MOD Single : A 106 LYS NZ :NH3+ 158:sc= 1.19 (180deg=1.04) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0.615 K(o=0.61,f=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 120 SER OG : rot -32:sc= 0.33 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.792 7.796 2.822 1.00 0.00 N ATOM 2 CA SER A 55 -12.606 7.265 1.470 1.00 0.00 C ATOM 3 C SER A 55 -12.735 5.774 1.475 1.00 0.00 C ATOM 4 O SER A 55 -13.080 5.163 2.485 1.00 0.00 O ATOM 5 CB SER A 55 -11.205 7.626 0.938 1.00 0.00 C ATOM 6 OG SER A 55 -11.177 7.542 -0.483 1.00 0.00 O ATOM 0 HA SER A 55 -13.371 7.704 0.830 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.938 8.634 1.254 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.462 6.951 1.363 1.00 0.00 H new ATOM 0 HG SER A 55 -10.252 7.617 -0.797 1.00 0.00 H new ATOM 14 N ASN A 56 -12.467 5.161 0.309 1.00 0.00 N ATOM 15 CA ASN A 56 -12.412 3.733 0.213 1.00 0.00 C ATOM 16 C ASN A 56 -11.349 3.429 -0.802 1.00 0.00 C ATOM 17 O ASN A 56 -11.236 2.315 -1.305 1.00 0.00 O ATOM 18 CB ASN A 56 -13.771 3.135 -0.192 1.00 0.00 C ATOM 19 CG ASN A 56 -13.700 1.615 -0.097 1.00 0.00 C ATOM 20 OD1 ASN A 56 -13.825 0.911 -1.100 1.00 0.00 O ATOM 21 ND2 ASN A 56 -13.547 1.087 1.138 1.00 0.00 N ATOM 0 H ASN A 56 -12.288 5.652 -0.567 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.176 3.284 1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.558 3.515 0.460 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.026 3.436 -1.208 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.532 0.075 1.262 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.446 1.701 1.946 1.00 0.00 H new ATOM 28 N THR A 57 -10.475 4.424 -1.051 1.00 0.00 N ATOM 29 CA THR A 57 -9.475 4.284 -2.066 1.00 0.00 C ATOM 30 C THR A 57 -8.151 4.580 -1.434 1.00 0.00 C ATOM 31 O THR A 57 -8.055 5.409 -0.531 1.00 0.00 O ATOM 32 CB THR A 57 -9.662 5.264 -3.239 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.534 6.610 -2.793 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.042 5.179 -3.893 1.00 0.00 C ATOM 0 H THR A 57 -10.460 5.315 -0.556 1.00 0.00 H new ATOM 0 HA THR A 57 -9.545 3.273 -2.467 1.00 0.00 H new ATOM 0 HB THR A 57 -8.894 4.982 -3.959 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.810 7.220 -3.509 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.102 5.897 -4.711 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.199 4.173 -4.281 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.810 5.406 -3.153 1.00 0.00 H new ATOM 42 N ILE A 58 -7.098 3.888 -1.904 1.00 0.00 N ATOM 43 CA ILE A 58 -5.757 4.286 -1.588 1.00 0.00 C ATOM 44 C ILE A 58 -4.948 4.026 -2.818 1.00 0.00 C ATOM 45 O ILE A 58 -5.329 3.213 -3.661 1.00 0.00 O ATOM 46 CB ILE A 58 -5.101 3.572 -0.390 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.102 2.878 0.544 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.159 4.489 0.425 1.00 0.00 C ATOM 49 CD1 ILE A 58 -6.524 1.484 0.065 1.00 0.00 C ATOM 0 H ILE A 58 -7.170 3.061 -2.497 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.793 5.332 -1.284 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.496 2.792 -0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.661 2.794 1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.989 3.504 0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.730 3.926 1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.359 4.853 -0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.724 5.335 0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.232 1.054 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.995 1.563 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.646 0.842 -0.005 1.00 0.00 H new ATOM 61 N ARG A 59 -3.831 4.757 -2.987 1.00 0.00 N ATOM 62 CA ARG A 59 -3.099 4.656 -4.209 1.00 0.00 C ATOM 63 C ARG A 59 -1.846 3.913 -3.919 1.00 0.00 C ATOM 64 O ARG A 59 -1.157 4.202 -2.957 1.00 0.00 O ATOM 65 CB ARG A 59 -2.773 6.031 -4.771 1.00 0.00 C ATOM 66 CG ARG A 59 -4.000 6.718 -5.366 1.00 0.00 C ATOM 67 CD ARG A 59 -4.204 8.155 -4.878 1.00 0.00 C ATOM 68 NE ARG A 59 -4.931 8.099 -3.573 1.00 0.00 N ATOM 69 CZ ARG A 59 -6.250 7.759 -3.520 1.00 0.00 C ATOM 70 NH1 ARG A 59 -6.986 7.637 -4.642 1.00 0.00 N ATOM 71 NH2 ARG A 59 -6.867 7.632 -2.325 1.00 0.00 N ATOM 0 H ARG A 59 -3.444 5.401 -2.297 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.697 4.135 -4.957 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.357 6.655 -3.980 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.005 5.935 -5.538 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.911 6.723 -6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.886 6.132 -5.122 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.244 8.657 -4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.775 8.728 -5.608 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.433 8.318 -2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.558 7.800 -5.553 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.972 7.382 -4.580 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.346 7.791 -1.463 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.854 7.378 -2.285 1.00 0.00 H new ATOM 85 N VAL A 60 -1.516 2.943 -4.788 1.00 0.00 N ATOM 86 CA VAL A 60 -0.357 2.130 -4.564 1.00 0.00 C ATOM 87 C VAL A 60 0.671 2.540 -5.564 1.00 0.00 C ATOM 88 O VAL A 60 0.510 2.304 -6.757 1.00 0.00 O ATOM 89 CB VAL A 60 -0.609 0.626 -4.724 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.525 -0.242 -4.164 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.950 0.166 -4.132 1.00 0.00 C ATOM 0 H VAL A 60 -2.041 2.721 -5.634 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.042 2.284 -3.532 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.648 0.480 -5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.283 -1.295 -4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.454 -0.008 -4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.645 -0.041 -3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.064 -0.908 -4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.973 0.390 -3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.766 0.689 -4.630 1.00 0.00 H new ATOM 101 N PHE A 61 1.777 3.124 -5.069 1.00 0.00 N ATOM 102 CA PHE A 61 2.841 3.545 -5.934 1.00 0.00 C ATOM 103 C PHE A 61 3.877 2.466 -5.898 1.00 0.00 C ATOM 104 O PHE A 61 4.131 1.865 -4.852 1.00 0.00 O ATOM 105 CB PHE A 61 3.500 4.848 -5.458 1.00 0.00 C ATOM 106 CG PHE A 61 2.658 5.991 -5.918 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.381 6.203 -5.382 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.157 6.938 -6.800 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.655 7.335 -5.699 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.431 8.078 -7.107 1.00 0.00 C ATOM 111 CZ PHE A 61 1.187 8.282 -6.549 1.00 0.00 C ATOM 0 H PHE A 61 1.936 3.305 -4.078 1.00 0.00 H new ATOM 0 HA PHE A 61 2.437 3.722 -6.931 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.589 4.854 -4.372 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.509 4.933 -5.861 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.958 5.470 -4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.125 6.785 -7.254 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.330 7.478 -5.281 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.842 8.810 -7.787 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.631 9.180 -6.777 1.00 0.00 H new ATOM 121 N LEU A 62 4.528 2.190 -7.048 1.00 0.00 N ATOM 122 CA LEU A 62 5.458 1.100 -7.087 1.00 0.00 C ATOM 123 C LEU A 62 6.811 1.649 -6.730 1.00 0.00 C ATOM 124 O LEU A 62 7.054 2.855 -6.788 1.00 0.00 O ATOM 125 CB LEU A 62 5.533 0.422 -8.462 1.00 0.00 C ATOM 126 CG LEU A 62 4.442 -0.629 -8.693 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.781 -2.000 -8.095 1.00 0.00 C ATOM 128 CD2 LEU A 62 3.055 -0.194 -8.207 1.00 0.00 C ATOM 0 H LEU A 62 4.416 2.703 -7.923 1.00 0.00 H new ATOM 0 HA LEU A 62 5.123 0.338 -6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.460 1.185 -9.237 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.509 -0.051 -8.571 1.00 0.00 H new ATOM 0 HG LEU A 62 4.407 -0.725 -9.778 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.966 -2.696 -8.295 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.699 -2.377 -8.546 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.919 -1.903 -7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.335 -0.988 -8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.091 0.006 -7.136 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.751 0.710 -8.735 1.00 0.00 H new ATOM 140 N PRO A 63 7.703 0.700 -6.468 1.00 0.00 N ATOM 141 CA PRO A 63 8.999 1.251 -6.135 1.00 0.00 C ATOM 142 C PRO A 63 9.637 1.578 -7.462 1.00 0.00 C ATOM 143 O PRO A 63 10.579 2.364 -7.529 1.00 0.00 O ATOM 144 CB PRO A 63 9.757 0.116 -5.486 1.00 0.00 C ATOM 145 CG PRO A 63 8.709 -0.895 -5.025 1.00 0.00 C ATOM 146 CD PRO A 63 7.384 -0.452 -5.644 1.00 0.00 C ATOM 0 HA PRO A 63 8.971 2.125 -5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.452 -0.340 -6.191 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.347 0.475 -4.643 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.972 -1.902 -5.348 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.642 -0.917 -3.937 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.944 -1.251 -6.241 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.658 -0.193 -4.873 1.00 0.00 H new ATOM 154 N ASN A 64 9.103 1.016 -8.567 1.00 0.00 N ATOM 155 CA ASN A 64 9.626 1.323 -9.867 1.00 0.00 C ATOM 156 C ASN A 64 8.809 2.455 -10.439 1.00 0.00 C ATOM 157 O ASN A 64 8.610 2.535 -11.649 1.00 0.00 O ATOM 158 CB ASN A 64 9.707 0.132 -10.849 1.00 0.00 C ATOM 159 CG ASN A 64 8.483 -0.760 -10.657 1.00 0.00 C ATOM 160 OD1 ASN A 64 8.222 -1.270 -9.567 1.00 0.00 O ATOM 161 ND2 ASN A 64 7.781 -1.076 -11.776 1.00 0.00 N ATOM 0 H ASN A 64 8.322 0.360 -8.562 1.00 0.00 H new ATOM 0 HA ASN A 64 10.669 1.609 -9.735 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.751 0.494 -11.876 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.619 -0.439 -10.673 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.017 -1.750 -11.726 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.018 -0.639 -12.667 1.00 0.00 H new ATOM 168 N LYS A 65 8.297 3.339 -9.551 1.00 0.00 N ATOM 169 CA LYS A 65 7.825 4.636 -9.956 1.00 0.00 C ATOM 170 C LYS A 65 6.370 4.542 -10.317 1.00 0.00 C ATOM 171 O LYS A 65 5.694 5.563 -10.453 1.00 0.00 O ATOM 172 CB LYS A 65 8.593 5.319 -11.097 1.00 0.00 C ATOM 173 CG LYS A 65 10.112 5.340 -10.890 1.00 0.00 C ATOM 174 CD LYS A 65 10.559 6.207 -9.707 1.00 0.00 C ATOM 175 CE LYS A 65 10.982 5.395 -8.478 1.00 0.00 C ATOM 176 NZ LYS A 65 11.441 6.291 -7.422 1.00 0.00 N ATOM 0 H LYS A 65 8.210 3.154 -8.552 1.00 0.00 H new ATOM 0 HA LYS A 65 7.998 5.276 -9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.370 4.806 -12.032 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.235 6.343 -11.202 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.463 4.320 -10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.589 5.707 -11.799 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.392 6.835 -10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.744 6.875 -9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.143 4.798 -8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.777 4.700 -8.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.726 5.732 -6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.254 6.843 -7.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.671 6.937 -7.156 1.00 0.00 H new ATOM 190 N GLN A 66 5.841 3.312 -10.473 1.00 0.00 N ATOM 191 CA GLN A 66 4.515 3.159 -10.992 1.00 0.00 C ATOM 192 C GLN A 66 3.526 3.440 -9.912 1.00 0.00 C ATOM 193 O GLN A 66 3.871 3.881 -8.824 1.00 0.00 O ATOM 194 CB GLN A 66 4.297 1.774 -11.595 1.00 0.00 C ATOM 195 CG GLN A 66 4.435 1.750 -13.117 1.00 0.00 C ATOM 196 CD GLN A 66 5.838 2.216 -13.483 1.00 0.00 C ATOM 197 OE1 GLN A 66 6.063 3.393 -13.763 1.00 0.00 O ATOM 198 NE2 GLN A 66 6.809 1.273 -13.483 1.00 0.00 N ATOM 0 H GLN A 66 6.320 2.441 -10.245 1.00 0.00 H new ATOM 0 HA GLN A 66 4.375 3.875 -11.801 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.016 1.079 -11.161 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.304 1.418 -11.321 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.259 0.744 -13.497 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.689 2.399 -13.575 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.582 0.307 -13.245 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.768 1.528 -13.721 1.00 0.00 H new ATOM 207 N ARG A 67 2.231 3.391 -10.281 1.00 0.00 N ATOM 208 CA ARG A 67 1.204 3.792 -9.372 1.00 0.00 C ATOM 209 C ARG A 67 -0.088 3.241 -9.880 1.00 0.00 C ATOM 210 O ARG A 67 -0.169 2.760 -11.010 1.00 0.00 O ATOM 211 CB ARG A 67 1.073 5.310 -9.235 1.00 0.00 C ATOM 212 CG ARG A 67 1.121 6.058 -10.569 1.00 0.00 C ATOM 213 CD ARG A 67 2.458 6.756 -10.823 1.00 0.00 C ATOM 214 NE ARG A 67 2.453 7.241 -12.234 1.00 0.00 N ATOM 215 CZ ARG A 67 3.606 7.659 -12.828 1.00 0.00 C ATOM 216 NH1 ARG A 67 4.804 7.439 -12.249 1.00 0.00 N ATOM 217 NH2 ARG A 67 3.572 8.176 -14.076 1.00 0.00 N ATOM 0 H ARG A 67 1.901 3.079 -11.194 1.00 0.00 H new ATOM 0 HA ARG A 67 1.462 3.410 -8.384 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.133 5.540 -8.734 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.874 5.678 -8.594 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.926 5.355 -11.379 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.322 6.799 -10.591 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.593 7.589 -10.132 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.287 6.068 -10.658 1.00 0.00 H new ATOM 0 HE ARG A 67 1.579 7.260 -12.759 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.856 6.953 -11.354 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.658 7.758 -12.707 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.684 8.253 -14.572 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.434 8.489 -14.522 1.00 0.00 H new ATOM 231 N THR A 68 -1.117 3.282 -9.014 1.00 0.00 N ATOM 232 CA THR A 68 -2.430 2.844 -9.385 1.00 0.00 C ATOM 233 C THR A 68 -3.312 3.129 -8.213 1.00 0.00 C ATOM 234 O THR A 68 -2.830 3.300 -7.095 1.00 0.00 O ATOM 235 CB THR A 68 -2.531 1.347 -9.734 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.831 1.037 -10.218 1.00 0.00 O ATOM 237 CG2 THR A 68 -2.190 0.406 -8.569 1.00 0.00 C ATOM 0 H THR A 68 -1.041 3.619 -8.054 1.00 0.00 H new ATOM 0 HA THR A 68 -2.720 3.373 -10.293 1.00 0.00 H new ATOM 0 HB THR A 68 -1.780 1.178 -10.506 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.880 0.083 -10.437 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.285 -0.629 -8.897 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.167 0.590 -8.240 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.875 0.589 -7.741 1.00 0.00 H new ATOM 245 N VAL A 69 -4.637 3.193 -8.440 1.00 0.00 N ATOM 246 CA VAL A 69 -5.545 3.388 -7.348 1.00 0.00 C ATOM 247 C VAL A 69 -6.245 2.090 -7.123 1.00 0.00 C ATOM 248 O VAL A 69 -6.491 1.331 -8.062 1.00 0.00 O ATOM 249 CB VAL A 69 -6.575 4.503 -7.568 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.204 4.494 -8.967 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.650 4.594 -6.466 1.00 0.00 C ATOM 0 H VAL A 69 -5.074 3.112 -9.358 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.963 3.708 -6.483 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.985 5.416 -7.495 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.922 5.310 -9.048 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.424 4.621 -9.718 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.714 3.545 -9.131 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.339 5.407 -6.696 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.201 3.655 -6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.171 4.785 -5.506 1.00 0.00 H new ATOM 261 N VAL A 70 -6.543 1.800 -5.846 1.00 0.00 N ATOM 262 CA VAL A 70 -7.174 0.561 -5.508 1.00 0.00 C ATOM 263 C VAL A 70 -8.189 0.853 -4.452 1.00 0.00 C ATOM 264 O VAL A 70 -8.106 1.867 -3.758 1.00 0.00 O ATOM 265 CB VAL A 70 -6.193 -0.486 -4.964 1.00 0.00 C ATOM 266 CG1 VAL A 70 -5.147 -0.922 -5.994 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.449 -0.042 -3.691 1.00 0.00 C ATOM 0 H VAL A 70 -6.351 2.414 -5.054 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.614 0.145 -6.414 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.840 -1.328 -4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.484 -1.663 -5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.647 -1.357 -6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.564 -0.057 -6.309 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.775 -0.835 -3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.874 0.860 -3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.171 0.164 -2.901 1.00 0.00 H new ATOM 277 N ASN A 71 -9.155 -0.070 -4.292 1.00 0.00 N ATOM 278 CA ASN A 71 -10.119 0.048 -3.239 1.00 0.00 C ATOM 279 C ASN A 71 -9.789 -1.014 -2.240 1.00 0.00 C ATOM 280 O ASN A 71 -9.282 -2.077 -2.596 1.00 0.00 O ATOM 281 CB ASN A 71 -11.554 -0.241 -3.717 1.00 0.00 C ATOM 282 CG ASN A 71 -12.142 1.040 -4.298 1.00 0.00 C ATOM 283 OD1 ASN A 71 -11.593 1.628 -5.229 1.00 0.00 O ATOM 284 ND2 ASN A 71 -13.325 1.461 -3.770 1.00 0.00 N ATOM 0 H ASN A 71 -9.269 -0.892 -4.886 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.079 1.065 -2.848 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.550 -1.030 -4.469 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.165 -0.595 -2.887 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.785 2.290 -4.147 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.750 0.948 -2.998 1.00 0.00 H new ATOM 291 N VAL A 72 -10.108 -0.763 -0.956 1.00 0.00 N ATOM 292 CA VAL A 72 -9.965 -1.793 0.033 1.00 0.00 C ATOM 293 C VAL A 72 -11.307 -2.440 0.183 1.00 0.00 C ATOM 294 O VAL A 72 -12.290 -1.803 0.567 1.00 0.00 O ATOM 295 CB VAL A 72 -9.425 -1.316 1.392 1.00 0.00 C ATOM 296 CG1 VAL A 72 -10.415 -0.468 2.196 1.00 0.00 C ATOM 297 CG2 VAL A 72 -8.938 -2.454 2.303 1.00 0.00 C ATOM 0 H VAL A 72 -10.457 0.130 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.206 -2.494 -0.314 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.577 -0.697 1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.958 -0.172 3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.678 0.423 1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.315 -1.050 2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.572 -2.038 3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.763 -3.136 2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.132 -2.996 1.809 1.00 0.00 H new ATOM 307 N ARG A 73 -11.397 -3.728 -0.204 1.00 0.00 N ATOM 308 CA ARG A 73 -12.651 -4.419 -0.153 1.00 0.00 C ATOM 309 C ARG A 73 -12.792 -4.983 1.226 1.00 0.00 C ATOM 310 O ARG A 73 -11.916 -4.817 2.079 1.00 0.00 O ATOM 311 CB ARG A 73 -12.753 -5.557 -1.184 1.00 0.00 C ATOM 312 CG ARG A 73 -13.871 -5.355 -2.213 1.00 0.00 C ATOM 313 CD ARG A 73 -15.279 -5.522 -1.630 1.00 0.00 C ATOM 314 NE ARG A 73 -16.252 -5.230 -2.723 1.00 0.00 N ATOM 315 CZ ARG A 73 -17.582 -5.122 -2.457 1.00 0.00 C ATOM 316 NH1 ARG A 73 -18.051 -5.231 -1.197 1.00 0.00 N ATOM 317 NH2 ARG A 73 -18.454 -4.886 -3.463 1.00 0.00 N ATOM 0 H ARG A 73 -10.614 -4.284 -0.547 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.446 -3.713 -0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.801 -5.648 -1.707 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.919 -6.498 -0.659 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.781 -4.358 -2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.737 -6.067 -3.027 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.420 -6.534 -1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.430 -4.843 -0.790 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.917 -5.110 -3.679 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.405 -5.397 -0.425 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.051 -5.147 -1.016 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.115 -4.789 -4.420 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.451 -4.805 -3.265 1.00 0.00 H new ATOM 331 N ASN A 74 -13.899 -5.711 1.468 1.00 0.00 N ATOM 332 CA ASN A 74 -14.170 -6.208 2.785 1.00 0.00 C ATOM 333 C ASN A 74 -13.302 -7.404 3.013 1.00 0.00 C ATOM 334 O ASN A 74 -13.614 -8.513 2.580 1.00 0.00 O ATOM 335 CB ASN A 74 -15.640 -6.568 3.063 1.00 0.00 C ATOM 336 CG ASN A 74 -16.304 -6.961 1.748 1.00 0.00 C ATOM 337 OD1 ASN A 74 -16.830 -6.115 1.023 1.00 0.00 O ATOM 338 ND2 ASN A 74 -16.216 -8.267 1.386 1.00 0.00 N ATOM 0 H ASN A 74 -14.597 -5.953 0.765 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.950 -5.395 3.478 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.699 -7.390 3.777 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -16.159 -5.720 3.510 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.592 -8.574 0.489 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.774 -8.941 2.011 1.00 0.00 H new ATOM 345 N GLY A 75 -12.178 -7.181 3.714 1.00 0.00 N ATOM 346 CA GLY A 75 -11.328 -8.266 4.110 1.00 0.00 C ATOM 347 C GLY A 75 -10.026 -8.113 3.396 1.00 0.00 C ATOM 348 O GLY A 75 -9.238 -9.054 3.323 1.00 0.00 O ATOM 0 H GLY A 75 -11.856 -6.258 4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.175 -8.256 5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.789 -9.222 3.862 1.00 0.00 H new ATOM 352 N MET A 76 -9.740 -6.897 2.890 1.00 0.00 N ATOM 353 CA MET A 76 -8.462 -6.656 2.294 1.00 0.00 C ATOM 354 C MET A 76 -7.572 -6.092 3.340 1.00 0.00 C ATOM 355 O MET A 76 -8.008 -5.364 4.231 1.00 0.00 O ATOM 356 CB MET A 76 -8.472 -5.738 1.072 1.00 0.00 C ATOM 357 CG MET A 76 -9.056 -6.420 -0.162 1.00 0.00 C ATOM 358 SD MET A 76 -8.886 -5.335 -1.616 1.00 0.00 S ATOM 359 CE MET A 76 -9.258 -6.535 -2.934 1.00 0.00 C ATOM 0 H MET A 76 -10.376 -6.100 2.893 1.00 0.00 H new ATOM 0 HA MET A 76 -8.107 -7.614 1.914 1.00 0.00 H new ATOM 0 HB2 MET A 76 -9.052 -4.843 1.298 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.454 -5.413 0.857 1.00 0.00 H new ATOM 0 HG2 MET A 76 -8.543 -7.365 -0.342 1.00 0.00 H new ATOM 0 HG3 MET A 76 -10.107 -6.654 0.006 1.00 0.00 H new ATOM 0 HE1 MET A 76 -9.340 -6.014 -3.888 1.00 0.00 H new ATOM 0 HE2 MET A 76 -8.458 -7.273 -2.991 1.00 0.00 H new ATOM 0 HE3 MET A 76 -10.200 -7.038 -2.713 1.00 0.00 H new ATOM 369 N SER A 77 -6.276 -6.405 3.212 1.00 0.00 N ATOM 370 CA SER A 77 -5.321 -6.011 4.200 1.00 0.00 C ATOM 371 C SER A 77 -4.425 -5.011 3.568 1.00 0.00 C ATOM 372 O SER A 77 -4.862 -3.989 3.054 1.00 0.00 O ATOM 373 CB SER A 77 -4.464 -7.194 4.664 1.00 0.00 C ATOM 374 OG SER A 77 -5.291 -8.271 5.081 1.00 0.00 O ATOM 0 H SER A 77 -5.887 -6.929 2.428 1.00 0.00 H new ATOM 0 HA SER A 77 -5.848 -5.613 5.067 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.813 -7.520 3.853 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.818 -6.884 5.486 1.00 0.00 H new ATOM 0 HG SER A 77 -5.382 -8.916 4.349 1.00 0.00 H new ATOM 380 N LEU A 78 -3.126 -5.125 3.868 1.00 0.00 N ATOM 381 CA LEU A 78 -2.136 -4.539 3.032 1.00 0.00 C ATOM 382 C LEU A 78 -1.773 -5.571 2.024 1.00 0.00 C ATOM 383 O LEU A 78 -1.899 -5.358 0.830 1.00 0.00 O ATOM 384 CB LEU A 78 -0.909 -4.192 3.872 1.00 0.00 C ATOM 385 CG LEU A 78 -0.744 -2.695 4.113 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.515 -1.928 2.867 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.019 -1.996 4.540 1.00 0.00 C ATOM 0 H LEU A 78 -2.763 -5.619 4.683 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.500 -3.629 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.980 -4.702 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.017 -4.573 3.374 1.00 0.00 H new ATOM 0 HG LEU A 78 0.065 -2.693 4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.406 -0.870 3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.393 -2.286 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.363 -2.063 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.819 -0.935 4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.776 -2.116 3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.380 -2.434 5.471 1.00 0.00 H new ATOM 399 N HIS A 79 -1.507 -6.797 2.505 1.00 0.00 N ATOM 400 CA HIS A 79 -0.979 -7.832 1.661 1.00 0.00 C ATOM 401 C HIS A 79 -2.051 -8.243 0.702 1.00 0.00 C ATOM 402 O HIS A 79 -1.829 -8.244 -0.493 1.00 0.00 O ATOM 403 CB HIS A 79 -0.509 -9.080 2.429 1.00 0.00 C ATOM 404 CG HIS A 79 0.956 -9.363 2.266 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.638 -9.083 1.112 1.00 0.00 N ATOM 406 CD2 HIS A 79 1.860 -9.828 3.152 1.00 0.00 C ATOM 407 CE1 HIS A 79 2.925 -9.312 1.322 1.00 0.00 C ATOM 408 NE2 HIS A 79 3.081 -9.808 2.538 1.00 0.00 N ATOM 0 H HIS A 79 -1.655 -7.076 3.475 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.103 -7.421 1.160 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.731 -8.951 3.488 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.079 -9.944 2.087 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.657 -10.156 4.161 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.719 -9.124 0.615 1.00 0.00 H new ATOM 0 HE2 HIS A 79 3.961 -10.122 2.947 1.00 0.00 H new ATOM 417 N ASP A 80 -3.275 -8.506 1.200 1.00 0.00 N ATOM 418 CA ASP A 80 -4.307 -9.025 0.344 1.00 0.00 C ATOM 419 C ASP A 80 -4.851 -7.888 -0.477 1.00 0.00 C ATOM 420 O ASP A 80 -5.532 -8.103 -1.477 1.00 0.00 O ATOM 421 CB ASP A 80 -5.472 -9.670 1.108 1.00 0.00 C ATOM 422 CG ASP A 80 -4.895 -10.504 2.242 1.00 0.00 C ATOM 423 OD1 ASP A 80 -4.603 -9.911 3.317 1.00 0.00 O ATOM 424 OD2 ASP A 80 -4.703 -11.729 2.034 1.00 0.00 O ATOM 0 H ASP A 80 -3.549 -8.364 2.172 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.856 -9.805 -0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.139 -8.903 1.502 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.064 -10.295 0.440 1.00 0.00 H new ATOM 429 N CYS A 81 -4.526 -6.640 -0.084 1.00 0.00 N ATOM 430 CA CYS A 81 -5.083 -5.495 -0.746 1.00 0.00 C ATOM 431 C CYS A 81 -4.083 -5.017 -1.772 1.00 0.00 C ATOM 432 O CYS A 81 -4.415 -4.236 -2.662 1.00 0.00 O ATOM 433 CB CYS A 81 -5.354 -4.382 0.274 1.00 0.00 C ATOM 434 SG CYS A 81 -6.444 -3.113 -0.452 1.00 0.00 S ATOM 0 H CYS A 81 -3.887 -6.424 0.681 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.025 -5.758 -1.228 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.817 -4.802 1.167 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.413 -3.928 0.586 1.00 0.00 H new ATOM 0 HG CYS A 81 -7.483 -3.686 -0.984 1.00 0.00 H new ATOM 440 N LEU A 82 -2.822 -5.475 -1.656 1.00 0.00 N ATOM 441 CA LEU A 82 -1.772 -4.993 -2.514 1.00 0.00 C ATOM 442 C LEU A 82 -1.403 -6.088 -3.411 1.00 0.00 C ATOM 443 O LEU A 82 -1.025 -5.852 -4.548 1.00 0.00 O ATOM 444 CB LEU A 82 -0.495 -4.733 -1.726 1.00 0.00 C ATOM 445 CG LEU A 82 -0.536 -3.449 -0.909 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.545 -2.445 -1.312 1.00 0.00 C ATOM 447 CD2 LEU A 82 -1.877 -2.721 -0.992 1.00 0.00 C ATOM 0 H LEU A 82 -2.527 -6.174 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.129 -4.090 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.313 -5.574 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.346 -4.687 -2.418 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.364 -3.794 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.461 -1.552 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.529 -2.893 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.416 -2.173 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.837 -1.815 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.084 -2.456 -2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.668 -3.372 -0.619 1.00 0.00 H new ATOM 459 N MET A 83 -1.413 -7.308 -2.859 1.00 0.00 N ATOM 460 CA MET A 83 -1.270 -8.497 -3.642 1.00 0.00 C ATOM 461 C MET A 83 -2.201 -8.375 -4.801 1.00 0.00 C ATOM 462 O MET A 83 -1.766 -8.477 -5.917 1.00 0.00 O ATOM 463 CB MET A 83 -1.697 -9.663 -2.760 1.00 0.00 C ATOM 464 CG MET A 83 -2.001 -10.950 -3.514 1.00 0.00 C ATOM 465 SD MET A 83 -0.451 -11.681 -4.134 1.00 0.00 S ATOM 466 CE MET A 83 0.287 -12.218 -2.558 1.00 0.00 C ATOM 0 H MET A 83 -1.521 -7.476 -1.859 1.00 0.00 H new ATOM 0 HA MET A 83 -0.250 -8.646 -3.997 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.908 -9.860 -2.034 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.583 -9.370 -2.196 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.510 -11.656 -2.857 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.675 -10.745 -4.345 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.949 -13.065 -2.736 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.857 -11.396 -2.125 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.503 -12.514 -1.868 1.00 0.00 H new ATOM 476 N LYS A 84 -3.402 -7.831 -4.539 1.00 0.00 N ATOM 477 CA LYS A 84 -4.327 -7.482 -5.556 1.00 0.00 C ATOM 478 C LYS A 84 -3.617 -6.750 -6.676 1.00 0.00 C ATOM 479 O LYS A 84 -3.670 -7.164 -7.835 1.00 0.00 O ATOM 480 CB LYS A 84 -5.235 -6.492 -4.834 1.00 0.00 C ATOM 481 CG LYS A 84 -6.390 -6.022 -5.682 1.00 0.00 C ATOM 482 CD LYS A 84 -6.825 -7.094 -6.669 1.00 0.00 C ATOM 483 CE LYS A 84 -8.212 -6.851 -7.268 1.00 0.00 C ATOM 484 NZ LYS A 84 -8.524 -7.894 -8.239 1.00 0.00 N ATOM 0 H LYS A 84 -3.733 -7.631 -3.595 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.836 -8.341 -5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.623 -6.958 -3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.646 -5.629 -4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.229 -5.754 -5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.103 -5.121 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.095 -7.150 -7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.820 -8.061 -6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.962 -6.842 -6.477 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.244 -5.873 -7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.467 -7.722 -8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.815 -7.883 -9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.512 -8.821 -7.768 1.00 0.00 H new ATOM 498 N ALA A 85 -2.915 -5.652 -6.343 1.00 0.00 N ATOM 499 CA ALA A 85 -2.511 -4.705 -7.351 1.00 0.00 C ATOM 500 C ALA A 85 -1.169 -5.096 -7.912 1.00 0.00 C ATOM 501 O ALA A 85 -0.572 -4.336 -8.672 1.00 0.00 O ATOM 502 CB ALA A 85 -2.289 -3.433 -6.516 1.00 0.00 C ATOM 0 H ALA A 85 -2.628 -5.417 -5.393 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.223 -4.620 -8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.973 -2.620 -7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.219 -3.158 -6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.518 -3.618 -5.768 1.00 0.00 H new ATOM 508 N LEU A 86 -0.653 -6.287 -7.561 1.00 0.00 N ATOM 509 CA LEU A 86 0.686 -6.642 -7.951 1.00 0.00 C ATOM 510 C LEU A 86 0.641 -8.035 -8.430 1.00 0.00 C ATOM 511 O LEU A 86 1.451 -8.439 -9.244 1.00 0.00 O ATOM 512 CB LEU A 86 1.584 -6.636 -6.728 1.00 0.00 C ATOM 513 CG LEU A 86 1.553 -5.296 -6.000 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.698 -5.412 -4.510 1.00 0.00 C ATOM 515 CD2 LEU A 86 2.364 -4.210 -6.697 1.00 0.00 C ATOM 0 H LEU A 86 -1.147 -6.995 -7.018 1.00 0.00 H new ATOM 0 HA LEU A 86 1.056 -5.946 -8.704 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.271 -7.426 -6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.607 -6.861 -7.029 1.00 0.00 H new ATOM 0 HG LEU A 86 0.536 -4.915 -6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.667 -4.418 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.883 -6.015 -4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.650 -5.887 -4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.298 -3.284 -6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.406 -4.521 -6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.968 -4.047 -7.699 1.00 0.00 H new ATOM 527 N LYS A 87 -0.269 -8.816 -7.836 1.00 0.00 N ATOM 528 CA LYS A 87 -0.599 -10.118 -8.338 1.00 0.00 C ATOM 529 C LYS A 87 -1.040 -9.968 -9.759 1.00 0.00 C ATOM 530 O LYS A 87 -0.694 -10.779 -10.616 1.00 0.00 O ATOM 531 CB LYS A 87 -1.837 -10.642 -7.620 1.00 0.00 C ATOM 532 CG LYS A 87 -1.872 -12.153 -7.499 1.00 0.00 C ATOM 533 CD LYS A 87 -2.817 -12.822 -8.502 1.00 0.00 C ATOM 534 CE LYS A 87 -2.843 -14.350 -8.393 1.00 0.00 C ATOM 535 NZ LYS A 87 -1.573 -14.905 -8.853 1.00 0.00 N ATOM 0 H LYS A 87 -0.785 -8.548 -6.998 1.00 0.00 H new ATOM 0 HA LYS A 87 0.264 -10.772 -8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.881 -10.204 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.726 -10.308 -8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.865 -12.545 -7.643 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.178 -12.422 -6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.826 -12.438 -8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.518 -12.543 -9.512 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.026 -14.646 -7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.662 -14.752 -8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.645 -15.941 -8.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.350 -14.526 -9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.818 -14.643 -8.187 1.00 0.00 H new ATOM 549 N VAL A 88 -1.840 -8.914 -10.006 1.00 0.00 N ATOM 550 CA VAL A 88 -2.400 -8.678 -11.309 1.00 0.00 C ATOM 551 C VAL A 88 -1.271 -8.319 -12.251 1.00 0.00 C ATOM 552 O VAL A 88 -1.394 -8.449 -13.468 1.00 0.00 O ATOM 553 CB VAL A 88 -3.437 -7.545 -11.255 1.00 0.00 C ATOM 554 CG1 VAL A 88 -2.857 -6.197 -10.828 1.00 0.00 C ATOM 555 CG2 VAL A 88 -4.104 -7.216 -12.583 1.00 0.00 C ATOM 0 H VAL A 88 -2.102 -8.222 -9.304 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.910 -9.574 -11.662 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.143 -7.959 -10.535 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.649 -5.448 -10.814 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.424 -6.286 -9.832 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.084 -5.894 -11.534 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.818 -6.405 -12.440 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.347 -6.910 -13.305 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.626 -8.097 -12.956 1.00 0.00 H new ATOM 565 N ARG A 89 -0.123 -7.901 -11.685 1.00 0.00 N ATOM 566 CA ARG A 89 1.019 -7.548 -12.479 1.00 0.00 C ATOM 567 C ARG A 89 1.875 -8.765 -12.606 1.00 0.00 C ATOM 568 O ARG A 89 2.378 -9.079 -13.683 1.00 0.00 O ATOM 569 CB ARG A 89 1.809 -6.477 -11.726 1.00 0.00 C ATOM 570 CG ARG A 89 0.936 -5.303 -11.309 1.00 0.00 C ATOM 571 CD ARG A 89 1.714 -4.008 -11.105 1.00 0.00 C ATOM 572 NE ARG A 89 0.725 -2.952 -10.740 1.00 0.00 N ATOM 573 CZ ARG A 89 1.052 -1.634 -10.833 1.00 0.00 C ATOM 574 NH1 ARG A 89 2.215 -1.251 -11.392 1.00 0.00 N ATOM 575 NH2 ARG A 89 0.164 -0.690 -10.453 1.00 0.00 N ATOM 0 H ARG A 89 0.016 -7.807 -10.679 1.00 0.00 H new ATOM 0 HA ARG A 89 0.719 -7.180 -13.460 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.265 -6.920 -10.841 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.621 -6.117 -12.357 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.171 -5.142 -12.068 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.418 -5.556 -10.384 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.459 -4.126 -10.318 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.251 -3.735 -12.013 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.205 -3.220 -10.418 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.863 -1.952 -11.752 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.448 -0.260 -11.456 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.751 -0.965 -10.096 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.409 0.298 -10.523 1.00 0.00 H new ATOM 589 N GLY A 90 2.084 -9.444 -11.469 1.00 0.00 N ATOM 590 CA GLY A 90 2.906 -10.621 -11.428 1.00 0.00 C ATOM 591 C GLY A 90 4.114 -10.295 -10.605 1.00 0.00 C ATOM 592 O GLY A 90 5.198 -10.828 -10.837 1.00 0.00 O ATOM 0 H GLY A 90 1.683 -9.181 -10.569 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.358 -11.457 -10.992 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.197 -10.921 -12.435 1.00 0.00 H new ATOM 596 N LEU A 91 3.943 -9.418 -9.594 1.00 0.00 N ATOM 597 CA LEU A 91 5.057 -8.972 -8.811 1.00 0.00 C ATOM 598 C LEU A 91 4.942 -9.597 -7.454 1.00 0.00 C ATOM 599 O LEU A 91 3.929 -10.207 -7.114 1.00 0.00 O ATOM 600 CB LEU A 91 5.056 -7.447 -8.627 1.00 0.00 C ATOM 601 CG LEU A 91 5.357 -6.672 -9.913 1.00 0.00 C ATOM 602 CD1 LEU A 91 5.866 -5.252 -9.649 1.00 0.00 C ATOM 603 CD2 LEU A 91 6.314 -7.409 -10.854 1.00 0.00 C ATOM 0 H LEU A 91 3.043 -9.022 -9.322 1.00 0.00 H new ATOM 0 HA LEU A 91 5.975 -9.256 -9.325 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.083 -7.137 -8.245 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.795 -7.181 -7.871 1.00 0.00 H new ATOM 0 HG LEU A 91 4.393 -6.596 -10.417 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.062 -4.753 -10.598 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.113 -4.693 -9.094 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.786 -5.298 -9.067 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.485 -6.805 -11.745 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.263 -7.582 -10.346 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.877 -8.365 -11.142 1.00 0.00 H new ATOM 615 N GLN A 92 5.990 -9.410 -6.627 1.00 0.00 N ATOM 616 CA GLN A 92 6.015 -10.002 -5.320 1.00 0.00 C ATOM 617 C GLN A 92 5.907 -8.883 -4.318 1.00 0.00 C ATOM 618 O GLN A 92 6.626 -7.885 -4.396 1.00 0.00 O ATOM 619 CB GLN A 92 7.318 -10.766 -5.043 1.00 0.00 C ATOM 620 CG GLN A 92 7.660 -11.798 -6.125 1.00 0.00 C ATOM 621 CD GLN A 92 8.921 -12.541 -5.691 1.00 0.00 C ATOM 622 OE1 GLN A 92 9.564 -12.182 -4.704 1.00 0.00 O ATOM 623 NE2 GLN A 92 9.324 -13.609 -6.444 1.00 0.00 N ATOM 0 H GLN A 92 6.813 -8.854 -6.859 1.00 0.00 H new ATOM 0 HA GLN A 92 5.193 -10.714 -5.250 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.138 -10.053 -4.959 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.236 -11.272 -4.081 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.834 -12.496 -6.259 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.820 -11.305 -7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.780 -13.893 -7.258 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.169 -14.121 -6.191 1.00 0.00 H new ATOM 632 N PRO A 93 5.062 -9.138 -3.327 1.00 0.00 N ATOM 633 CA PRO A 93 4.948 -8.010 -2.424 1.00 0.00 C ATOM 634 C PRO A 93 5.637 -8.459 -1.161 1.00 0.00 C ATOM 635 O PRO A 93 6.021 -7.639 -0.330 1.00 0.00 O ATOM 636 CB PRO A 93 3.469 -7.893 -2.121 1.00 0.00 C ATOM 637 CG PRO A 93 2.858 -9.239 -2.481 1.00 0.00 C ATOM 638 CD PRO A 93 3.805 -9.847 -3.506 1.00 0.00 C ATOM 0 HA PRO A 93 5.359 -7.078 -2.811 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.304 -7.659 -1.069 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.014 -7.090 -2.702 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.767 -9.877 -1.602 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.856 -9.119 -2.893 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.929 -10.917 -3.342 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.423 -9.722 -4.519 1.00 0.00 H new ATOM 646 N GLU A 94 5.847 -9.782 -0.989 1.00 0.00 N ATOM 647 CA GLU A 94 6.291 -10.299 0.278 1.00 0.00 C ATOM 648 C GLU A 94 7.744 -9.952 0.449 1.00 0.00 C ATOM 649 O GLU A 94 8.293 -10.065 1.543 1.00 0.00 O ATOM 650 CB GLU A 94 6.174 -11.827 0.395 1.00 0.00 C ATOM 651 CG GLU A 94 4.737 -12.351 0.245 1.00 0.00 C ATOM 652 CD GLU A 94 4.458 -12.609 -1.233 1.00 0.00 C ATOM 653 OE1 GLU A 94 5.288 -12.189 -2.087 1.00 0.00 O ATOM 654 OE2 GLU A 94 3.377 -13.177 -1.535 1.00 0.00 O ATOM 0 H GLU A 94 5.712 -10.486 -1.715 1.00 0.00 H new ATOM 0 HA GLU A 94 5.650 -9.854 1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.801 -12.290 -0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.566 -12.139 1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.608 -13.269 0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.027 -11.625 0.642 1.00 0.00 H new ATOM 661 N CYS A 95 8.396 -9.499 -0.638 1.00 0.00 N ATOM 662 CA CYS A 95 9.803 -9.233 -0.585 1.00 0.00 C ATOM 663 C CYS A 95 9.984 -7.747 -0.480 1.00 0.00 C ATOM 664 O CYS A 95 11.072 -7.223 -0.719 1.00 0.00 O ATOM 665 CB CYS A 95 10.515 -9.699 -1.859 1.00 0.00 C ATOM 666 SG CYS A 95 10.609 -11.520 -1.872 1.00 0.00 S ATOM 0 H CYS A 95 7.958 -9.319 -1.541 1.00 0.00 H new ATOM 0 HA CYS A 95 10.226 -9.766 0.266 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.977 -9.346 -2.739 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.517 -9.272 -1.905 1.00 0.00 H new ATOM 0 HG CYS A 95 10.173 -11.969 -3.011 1.00 0.00 H new ATOM 672 N CYS A 96 8.923 -7.024 -0.070 1.00 0.00 N ATOM 673 CA CYS A 96 8.977 -5.592 -0.086 1.00 0.00 C ATOM 674 C CYS A 96 8.377 -5.096 1.198 1.00 0.00 C ATOM 675 O CYS A 96 7.814 -5.864 1.978 1.00 0.00 O ATOM 676 CB CYS A 96 8.129 -5.026 -1.233 1.00 0.00 C ATOM 677 SG CYS A 96 8.985 -5.281 -2.820 1.00 0.00 S ATOM 0 H CYS A 96 8.045 -7.420 0.266 1.00 0.00 H new ATOM 0 HA CYS A 96 10.013 -5.278 -0.210 1.00 0.00 H new ATOM 0 HB2 CYS A 96 7.155 -5.515 -1.252 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.949 -3.963 -1.074 1.00 0.00 H new ATOM 0 HG CYS A 96 8.260 -4.801 -3.786 1.00 0.00 H new ATOM 683 N ALA A 97 8.480 -3.768 1.416 1.00 0.00 N ATOM 684 CA ALA A 97 7.841 -3.137 2.535 1.00 0.00 C ATOM 685 C ALA A 97 6.948 -2.082 1.974 1.00 0.00 C ATOM 686 O ALA A 97 7.333 -1.339 1.081 1.00 0.00 O ATOM 687 CB ALA A 97 8.796 -2.442 3.524 1.00 0.00 C ATOM 0 H ALA A 97 9.006 -3.132 0.817 1.00 0.00 H new ATOM 0 HA ALA A 97 7.332 -3.921 3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.219 -1.996 4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.491 -3.175 3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.354 -1.663 3.004 1.00 0.00 H new ATOM 693 N VAL A 98 5.733 -1.965 2.530 1.00 0.00 N ATOM 694 CA VAL A 98 4.791 -1.003 2.043 1.00 0.00 C ATOM 695 C VAL A 98 4.721 0.102 3.052 1.00 0.00 C ATOM 696 O VAL A 98 4.986 -0.092 4.240 1.00 0.00 O ATOM 697 CB VAL A 98 3.403 -1.619 1.852 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.957 -2.476 3.035 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.317 -0.605 1.489 1.00 0.00 C ATOM 0 H VAL A 98 5.401 -2.530 3.311 1.00 0.00 H new ATOM 0 HA VAL A 98 5.115 -0.634 1.070 1.00 0.00 H new ATOM 0 HB VAL A 98 3.527 -2.275 0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.966 -2.883 2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.663 -3.294 3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.924 -1.863 3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.363 -1.120 1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.233 0.138 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.580 -0.109 0.555 1.00 0.00 H new ATOM 709 N PHE A 99 4.325 1.300 2.585 1.00 0.00 N ATOM 710 CA PHE A 99 4.411 2.475 3.398 1.00 0.00 C ATOM 711 C PHE A 99 3.261 3.352 3.038 1.00 0.00 C ATOM 712 O PHE A 99 2.624 3.179 1.997 1.00 0.00 O ATOM 713 CB PHE A 99 5.650 3.321 3.069 1.00 0.00 C ATOM 714 CG PHE A 99 6.844 2.642 3.641 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.503 1.652 2.934 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.430 3.081 4.835 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.798 1.309 3.254 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.708 2.717 5.168 1.00 0.00 C ATOM 719 CZ PHE A 99 9.426 1.921 4.314 1.00 0.00 C ATOM 0 H PHE A 99 3.947 1.455 1.650 1.00 0.00 H new ATOM 0 HA PHE A 99 4.436 2.151 4.439 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.758 3.433 1.990 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.547 4.323 3.485 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.998 1.144 2.125 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.866 3.716 5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.319 0.562 2.674 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.146 3.054 6.096 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.484 1.774 4.473 1.00 0.00 H new ATOM 729 N ARG A 100 3.047 4.380 3.874 1.00 0.00 N ATOM 730 CA ARG A 100 2.220 5.478 3.503 1.00 0.00 C ATOM 731 C ARG A 100 3.139 6.654 3.375 1.00 0.00 C ATOM 732 O ARG A 100 4.176 6.723 4.035 1.00 0.00 O ATOM 733 CB ARG A 100 1.111 5.663 4.529 1.00 0.00 C ATOM 734 CG ARG A 100 0.797 7.111 4.891 1.00 0.00 C ATOM 735 CD ARG A 100 -0.229 7.201 6.019 1.00 0.00 C ATOM 736 NE ARG A 100 -0.983 8.480 5.877 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.573 9.620 6.490 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.419 9.600 7.400 1.00 0.00 N ATOM 739 NH2 ARG A 100 -1.270 10.760 6.293 1.00 0.00 N ATOM 0 H ARG A 100 3.449 4.449 4.809 1.00 0.00 H new ATOM 0 HA ARG A 100 1.701 5.327 2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.203 5.195 4.148 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.386 5.129 5.439 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.714 7.618 5.192 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.418 7.632 4.012 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.912 6.353 5.977 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.269 7.161 6.988 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.827 8.499 5.305 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.875 8.719 7.638 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.715 10.466 7.851 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.093 10.757 5.690 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.974 11.624 6.747 1.00 0.00 H new ATOM 753 N LEU A 101 2.813 7.572 2.452 1.00 0.00 N ATOM 754 CA LEU A 101 3.788 8.502 1.961 1.00 0.00 C ATOM 755 C LEU A 101 3.950 9.604 2.965 1.00 0.00 C ATOM 756 O LEU A 101 3.379 9.588 4.057 1.00 0.00 O ATOM 757 CB LEU A 101 3.341 9.135 0.632 1.00 0.00 C ATOM 758 CG LEU A 101 3.402 8.169 -0.553 1.00 0.00 C ATOM 759 CD1 LEU A 101 3.072 8.831 -1.895 1.00 0.00 C ATOM 760 CD2 LEU A 101 4.738 7.434 -0.658 1.00 0.00 C ATOM 0 H LEU A 101 1.883 7.674 2.046 1.00 0.00 H new ATOM 0 HA LEU A 101 4.722 7.963 1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.321 9.503 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.971 9.999 0.420 1.00 0.00 H new ATOM 0 HG LEU A 101 2.624 7.436 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.134 8.089 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.063 9.242 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.784 9.633 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.718 6.764 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.543 8.158 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.907 6.854 0.250 1.00 0.00 H new ATOM 772 N LEU A 102 4.740 10.623 2.577 1.00 0.00 N ATOM 773 CA LEU A 102 5.153 11.638 3.493 1.00 0.00 C ATOM 774 C LEU A 102 4.106 12.713 3.509 1.00 0.00 C ATOM 775 O LEU A 102 4.303 13.818 3.008 1.00 0.00 O ATOM 776 CB LEU A 102 6.535 12.202 3.175 1.00 0.00 C ATOM 777 CG LEU A 102 6.901 12.172 1.690 1.00 0.00 C ATOM 778 CD1 LEU A 102 7.356 10.792 1.176 1.00 0.00 C ATOM 779 CD2 LEU A 102 5.889 12.892 0.794 1.00 0.00 C ATOM 0 H LEU A 102 5.092 10.742 1.627 1.00 0.00 H new ATOM 0 HA LEU A 102 5.249 11.195 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.584 13.232 3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.282 11.637 3.733 1.00 0.00 H new ATOM 0 HG LEU A 102 7.804 12.778 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.596 10.860 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.239 10.471 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.555 10.067 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.214 12.830 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.912 12.421 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.820 13.939 1.091 1.00 0.00 H new ATOM 791 N HIS A 103 2.972 12.435 4.182 1.00 0.00 N ATOM 792 CA HIS A 103 1.906 13.393 4.241 1.00 0.00 C ATOM 793 C HIS A 103 2.119 14.232 5.471 1.00 0.00 C ATOM 794 O HIS A 103 1.667 15.373 5.544 1.00 0.00 O ATOM 795 CB HIS A 103 0.518 12.740 4.297 1.00 0.00 C ATOM 796 CG HIS A 103 0.101 12.130 2.989 1.00 0.00 C ATOM 797 ND1 HIS A 103 -0.989 11.307 2.881 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.515 12.390 1.725 1.00 0.00 C ATOM 799 CE1 HIS A 103 -1.226 11.080 1.599 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.324 11.718 0.876 1.00 0.00 N ATOM 0 H HIS A 103 2.794 11.562 4.678 1.00 0.00 H new ATOM 0 HA HIS A 103 1.928 13.992 3.331 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.516 11.969 5.068 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.217 13.488 4.593 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.351 13.012 1.440 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.028 10.471 1.207 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.262 11.712 -0.142 1.00 0.00 H new ATOM 809 N GLU A 104 2.831 13.680 6.476 1.00 0.00 N ATOM 810 CA GLU A 104 3.194 14.460 7.626 1.00 0.00 C ATOM 811 C GLU A 104 4.628 14.153 7.930 1.00 0.00 C ATOM 812 O GLU A 104 5.065 14.226 9.079 1.00 0.00 O ATOM 813 CB GLU A 104 2.382 14.148 8.896 1.00 0.00 C ATOM 814 CG GLU A 104 0.863 14.265 8.707 1.00 0.00 C ATOM 815 CD GLU A 104 0.346 12.951 8.139 1.00 0.00 C ATOM 816 OE1 GLU A 104 0.876 11.865 8.513 1.00 0.00 O ATOM 817 OE2 GLU A 104 -0.588 12.994 7.294 1.00 0.00 O ATOM 0 H GLU A 104 3.151 12.712 6.494 1.00 0.00 H new ATOM 0 HA GLU A 104 3.000 15.503 7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.620 13.138 9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.693 14.827 9.690 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.378 14.483 9.659 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.627 15.088 8.033 1.00 0.00 H new ATOM 824 N HIS A 105 5.391 13.748 6.899 1.00 0.00 N ATOM 825 CA HIS A 105 6.765 13.393 7.105 1.00 0.00 C ATOM 826 C HIS A 105 7.540 14.012 5.988 1.00 0.00 C ATOM 827 O HIS A 105 6.975 14.668 5.115 1.00 0.00 O ATOM 828 CB HIS A 105 7.022 11.869 7.118 1.00 0.00 C ATOM 829 CG HIS A 105 5.787 11.062 7.402 1.00 0.00 C ATOM 830 ND1 HIS A 105 5.089 11.182 8.576 1.00 0.00 N ATOM 831 CD2 HIS A 105 5.023 10.316 6.574 1.00 0.00 C ATOM 832 CE1 HIS A 105 3.918 10.580 8.433 1.00 0.00 C ATOM 833 NE2 HIS A 105 3.848 10.056 7.222 1.00 0.00 N ATOM 0 H HIS A 105 5.065 13.666 5.936 1.00 0.00 H new ATOM 0 HA HIS A 105 7.069 13.754 8.088 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.431 11.568 6.153 1.00 0.00 H new ATOM 0 HB3 HIS A 105 7.778 11.641 7.870 1.00 0.00 H new ATOM 0 HD2 HIS A 105 5.292 9.986 5.582 1.00 0.00 H new ATOM 0 HE1 HIS A 105 3.145 10.526 9.185 1.00 0.00 H new ATOM 0 HE2 HIS A 105 3.054 9.545 6.837 1.00 0.00 H new ATOM 842 N LYS A 106 8.876 13.862 6.021 1.00 0.00 N ATOM 843 CA LYS A 106 9.678 14.338 4.938 1.00 0.00 C ATOM 844 C LYS A 106 10.847 13.420 4.829 1.00 0.00 C ATOM 845 O LYS A 106 11.343 12.909 5.832 1.00 0.00 O ATOM 846 CB LYS A 106 10.214 15.748 5.187 1.00 0.00 C ATOM 847 CG LYS A 106 9.295 16.851 4.660 1.00 0.00 C ATOM 848 CD LYS A 106 9.237 16.926 3.131 1.00 0.00 C ATOM 849 CE LYS A 106 7.845 17.263 2.586 1.00 0.00 C ATOM 850 NZ LYS A 106 6.964 16.104 2.713 1.00 0.00 N ATOM 0 H LYS A 106 9.393 13.420 6.781 1.00 0.00 H new ATOM 0 HA LYS A 106 9.067 14.366 4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 106 10.361 15.889 6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.192 15.845 4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.289 16.688 5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 106 9.634 17.811 5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.945 17.679 2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.559 15.971 2.716 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.427 18.109 3.131 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.918 17.562 1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 5.973 16.419 2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 7.128 15.454 1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 7.163 15.613 3.608 1.00 0.00 H new ATOM 864 N GLY A 107 11.274 13.146 3.582 1.00 0.00 N ATOM 865 CA GLY A 107 12.464 12.371 3.371 1.00 0.00 C ATOM 866 C GLY A 107 12.070 10.929 3.283 1.00 0.00 C ATOM 867 O GLY A 107 12.489 10.217 2.372 1.00 0.00 O ATOM 0 H GLY A 107 10.805 13.454 2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 107 12.966 12.685 2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.168 12.524 4.189 1.00 0.00 H new ATOM 871 N LYS A 108 11.280 10.451 4.265 1.00 0.00 N ATOM 872 CA LYS A 108 11.037 9.047 4.376 1.00 0.00 C ATOM 873 C LYS A 108 9.578 8.824 4.136 1.00 0.00 C ATOM 874 O LYS A 108 8.919 9.583 3.430 1.00 0.00 O ATOM 875 CB LYS A 108 11.355 8.542 5.789 1.00 0.00 C ATOM 876 CG LYS A 108 12.791 8.828 6.232 1.00 0.00 C ATOM 877 CD LYS A 108 13.850 8.242 5.292 1.00 0.00 C ATOM 878 CE LYS A 108 15.280 8.398 5.815 1.00 0.00 C ATOM 879 NZ LYS A 108 16.230 7.877 4.836 1.00 0.00 N ATOM 0 H LYS A 108 10.818 11.026 4.969 1.00 0.00 H new ATOM 0 HA LYS A 108 11.665 8.518 3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.666 9.006 6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.178 7.467 5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.934 9.906 6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.941 8.423 7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.641 7.184 5.136 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.771 8.729 4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.490 9.449 6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.390 7.866 6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.198 7.987 5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.036 6.869 4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.133 8.403 3.944 1.00 0.00 H new ATOM 893 N LYS A 109 9.048 7.775 4.781 1.00 0.00 N ATOM 894 CA LYS A 109 7.705 7.355 4.563 1.00 0.00 C ATOM 895 C LYS A 109 7.267 6.704 5.835 1.00 0.00 C ATOM 896 O LYS A 109 8.092 6.237 6.620 1.00 0.00 O ATOM 897 CB LYS A 109 7.689 6.316 3.443 1.00 0.00 C ATOM 898 CG LYS A 109 7.633 6.898 2.036 1.00 0.00 C ATOM 899 CD LYS A 109 7.115 5.891 1.016 1.00 0.00 C ATOM 900 CE LYS A 109 8.042 4.685 0.845 1.00 0.00 C ATOM 901 NZ LYS A 109 9.214 5.068 0.063 1.00 0.00 N ATOM 0 H LYS A 109 9.558 7.212 5.462 1.00 0.00 H new ATOM 0 HA LYS A 109 7.057 8.187 4.288 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.580 5.695 3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.829 5.661 3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.990 7.778 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.629 7.230 1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.129 5.544 1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.992 6.387 0.053 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.351 4.311 1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.510 3.874 0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.735 4.214 -0.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 8.911 5.589 -0.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.833 5.674 0.639 1.00 0.00 H new ATOM 915 N ALA A 110 5.945 6.679 6.078 1.00 0.00 N ATOM 916 CA ALA A 110 5.439 6.094 7.289 1.00 0.00 C ATOM 917 C ALA A 110 5.185 4.655 6.999 1.00 0.00 C ATOM 918 O ALA A 110 4.458 4.311 6.073 1.00 0.00 O ATOM 919 CB ALA A 110 4.151 6.697 7.852 1.00 0.00 C ATOM 0 H ALA A 110 5.234 7.055 5.451 1.00 0.00 H new ATOM 0 HA ALA A 110 6.193 6.282 8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.872 6.171 8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.310 7.752 8.075 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.352 6.598 7.118 1.00 0.00 H new ATOM 925 N ARG A 111 5.810 3.758 7.783 1.00 0.00 N ATOM 926 CA ARG A 111 5.862 2.395 7.393 1.00 0.00 C ATOM 927 C ARG A 111 4.723 1.708 8.056 1.00 0.00 C ATOM 928 O ARG A 111 4.329 2.053 9.169 1.00 0.00 O ATOM 929 CB ARG A 111 7.180 1.832 7.893 1.00 0.00 C ATOM 930 CG ARG A 111 7.584 0.530 7.222 1.00 0.00 C ATOM 931 CD ARG A 111 6.986 -0.684 7.915 1.00 0.00 C ATOM 932 NE ARG A 111 7.909 -1.829 7.672 1.00 0.00 N ATOM 933 CZ ARG A 111 7.530 -3.107 7.943 1.00 0.00 C ATOM 934 NH1 ARG A 111 6.288 -3.378 8.395 1.00 0.00 N ATOM 935 NH2 ARG A 111 8.390 -4.119 7.702 1.00 0.00 N ATOM 0 H ARG A 111 6.269 3.976 8.668 1.00 0.00 H new ATOM 0 HA ARG A 111 5.795 2.264 6.313 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.965 2.571 7.733 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.110 1.669 8.969 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.264 0.546 6.180 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.671 0.446 7.220 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.874 -0.501 8.984 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.992 -0.901 7.522 1.00 0.00 H new ATOM 0 HE ARG A 111 8.840 -1.651 7.296 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.620 -2.620 8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.017 -4.341 8.594 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.315 -3.922 7.320 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.115 -5.081 7.902 1.00 0.00 H new ATOM 949 N LEU A 112 4.169 0.715 7.352 1.00 0.00 N ATOM 950 CA LEU A 112 2.916 0.148 7.742 1.00 0.00 C ATOM 951 C LEU A 112 3.157 -1.288 8.082 1.00 0.00 C ATOM 952 O LEU A 112 4.179 -1.647 8.668 1.00 0.00 O ATOM 953 CB LEU A 112 1.904 0.219 6.594 1.00 0.00 C ATOM 954 CG LEU A 112 1.545 1.648 6.189 1.00 0.00 C ATOM 955 CD1 LEU A 112 0.717 1.715 4.903 1.00 0.00 C ATOM 956 CD2 LEU A 112 0.851 2.422 7.312 1.00 0.00 C ATOM 0 H LEU A 112 4.582 0.303 6.516 1.00 0.00 H new ATOM 0 HA LEU A 112 2.513 0.701 8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.310 -0.305 5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.995 -0.307 6.887 1.00 0.00 H new ATOM 0 HG LEU A 112 2.500 2.133 5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.494 2.756 4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.282 1.271 4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.215 1.166 5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.619 3.430 6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.071 1.912 7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.511 2.476 8.178 1.00 0.00 H new ATOM 968 N ASP A 113 2.178 -2.152 7.757 1.00 0.00 N ATOM 969 CA ASP A 113 2.306 -3.545 8.054 1.00 0.00 C ATOM 970 C ASP A 113 1.704 -4.301 6.919 1.00 0.00 C ATOM 971 O ASP A 113 0.783 -3.861 6.267 1.00 0.00 O ATOM 972 CB ASP A 113 1.628 -3.963 9.369 1.00 0.00 C ATOM 973 CG ASP A 113 2.088 -5.371 9.719 1.00 0.00 C ATOM 974 OD1 ASP A 113 3.291 -5.534 10.051 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.269 -6.310 9.535 1.00 0.00 O ATOM 0 H ASP A 113 1.308 -1.890 7.294 1.00 0.00 H new ATOM 0 HA ASP A 113 3.366 -3.766 8.183 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.889 -3.269 10.168 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.544 -3.933 9.263 1.00 0.00 H new ATOM 980 N TRP A 114 2.188 -5.534 6.682 1.00 0.00 N ATOM 981 CA TRP A 114 1.704 -6.313 5.590 1.00 0.00 C ATOM 982 C TRP A 114 0.333 -6.831 5.934 1.00 0.00 C ATOM 983 O TRP A 114 -0.376 -7.354 5.079 1.00 0.00 O ATOM 984 CB TRP A 114 2.675 -7.473 5.283 1.00 0.00 C ATOM 985 CG TRP A 114 3.547 -7.226 4.074 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.872 -7.459 3.848 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.046 -6.586 2.903 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.226 -6.979 2.598 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.103 -6.433 2.001 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.785 -6.179 2.655 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.818 -5.837 0.779 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.534 -5.546 1.466 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.504 -5.462 0.499 1.00 0.00 C ATOM 0 H TRP A 114 2.909 -5.987 7.243 1.00 0.00 H new ATOM 0 HA TRP A 114 1.639 -5.695 4.695 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.311 -7.643 6.151 1.00 0.00 H new ATOM 0 HB3 TRP A 114 2.100 -8.386 5.126 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.544 -7.945 4.540 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.158 -7.021 2.186 1.00 0.00 H new ATOM 0 HE3 TRP A 114 0.996 -6.347 3.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.602 -5.666 0.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.563 -5.109 1.288 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.248 -5.103 -0.487 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.139 -6.556 7.163 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.487 -6.889 7.514 1.00 0.00 C ATOM 1006 C ASN A 115 -2.196 -5.608 7.803 1.00 0.00 C ATOM 1007 O ASN A 115 -3.189 -5.587 8.531 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.523 -7.682 8.825 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.612 -8.736 8.724 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.336 -9.923 8.553 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -3.882 -8.288 8.839 1.00 0.00 N ATOM 0 H ASN A 115 0.402 -6.110 7.904 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.933 -7.467 6.704 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.557 -8.152 9.009 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.718 -7.015 9.665 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.661 -8.944 8.785 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.061 -7.294 8.980 1.00 0.00 H new ATOM 1018 N THR A 116 -1.696 -4.478 7.259 1.00 0.00 N ATOM 1019 CA THR A 116 -2.143 -3.213 7.751 1.00 0.00 C ATOM 1020 C THR A 116 -3.569 -2.992 7.301 1.00 0.00 C ATOM 1021 O THR A 116 -4.027 -3.534 6.295 1.00 0.00 O ATOM 1022 CB THR A 116 -1.183 -2.010 7.615 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.528 -1.769 8.851 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.861 -0.655 7.394 1.00 0.00 C ATOM 0 H THR A 116 -1.008 -4.441 6.507 1.00 0.00 H new ATOM 0 HA THR A 116 -2.129 -3.272 8.839 1.00 0.00 H new ATOM 0 HB THR A 116 -0.557 -2.297 6.770 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.080 -1.006 8.756 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.102 0.123 7.311 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.448 -0.687 6.476 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.516 -0.434 8.237 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.321 -2.224 8.103 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.663 -1.848 7.758 1.00 0.00 C ATOM 1034 C ASP A 117 -5.557 -0.687 6.815 1.00 0.00 C ATOM 1035 O ASP A 117 -5.534 0.457 7.251 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.430 -1.412 9.023 1.00 0.00 C ATOM 1037 CG ASP A 117 -7.901 -1.244 8.672 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -8.505 -2.229 8.173 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -8.433 -0.125 8.891 1.00 0.00 O ATOM 0 H ASP A 117 -4.001 -1.858 9.000 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.197 -2.683 7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.313 -2.156 9.811 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.024 -0.476 9.406 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.604 -0.997 5.499 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.468 -0.004 4.457 1.00 0.00 C ATOM 1046 C ALA A 118 -6.651 0.913 4.526 1.00 0.00 C ATOM 1047 O ALA A 118 -6.618 2.025 4.005 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.585 -0.813 3.146 1.00 0.00 C ATOM 0 H ALA A 118 -5.738 -1.946 5.150 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.546 0.571 4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.493 -0.140 2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.791 -1.559 3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.553 -1.312 3.112 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.685 0.496 5.278 1.00 0.00 N ATOM 1055 CA ALA A 119 -8.884 1.268 5.406 1.00 0.00 C ATOM 1056 C ALA A 119 -8.642 2.350 6.419 1.00 0.00 C ATOM 1057 O ALA A 119 -9.479 3.229 6.612 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.728 0.156 6.058 1.00 0.00 C ATOM 0 H ALA A 119 -7.691 -0.380 5.800 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.284 1.747 4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.732 0.531 6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.787 -0.699 5.384 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.263 -0.152 6.995 1.00 0.00 H new ATOM 1064 N SER A 120 -7.448 2.356 7.048 1.00 0.00 N ATOM 1065 CA SER A 120 -7.113 3.409 7.966 1.00 0.00 C ATOM 1066 C SER A 120 -6.169 4.339 7.259 1.00 0.00 C ATOM 1067 O SER A 120 -5.892 5.436 7.740 1.00 0.00 O ATOM 1068 CB SER A 120 -6.435 2.912 9.250 1.00 0.00 C ATOM 1069 OG SER A 120 -6.244 3.991 10.158 1.00 0.00 O ATOM 0 H SER A 120 -6.726 1.646 6.925 1.00 0.00 H new ATOM 0 HA SER A 120 -8.041 3.894 8.269 1.00 0.00 H new ATOM 0 HB2 SER A 120 -7.046 2.139 9.716 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.475 2.456 9.009 1.00 0.00 H new ATOM 0 HG SER A 120 -6.097 4.819 9.655 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.622 3.885 6.113 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.744 4.707 5.326 1.00 0.00 C ATOM 1077 C LEU A 121 -5.543 5.170 4.173 1.00 0.00 C ATOM 1078 O LEU A 121 -5.007 5.621 3.164 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.556 3.918 4.766 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.740 3.214 5.848 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -2.674 4.022 7.147 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.310 1.848 6.214 1.00 0.00 C ATOM 0 H LEU A 121 -5.786 2.953 5.731 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.353 5.512 5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.922 3.177 4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.906 4.596 4.213 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.747 3.107 5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.083 3.478 7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.210 4.989 6.951 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.682 4.175 7.532 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.692 1.391 6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.328 1.966 6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.318 1.209 5.331 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.863 5.018 4.319 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.763 5.229 3.224 1.00 0.00 C ATOM 1096 C ILE A 122 -7.799 6.691 2.917 1.00 0.00 C ATOM 1097 O ILE A 122 -7.806 7.538 3.809 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.174 4.683 3.470 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.796 4.028 2.237 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.170 5.688 4.083 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.374 2.574 2.027 1.00 0.00 C ATOM 0 H ILE A 122 -7.315 4.749 5.193 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.387 4.665 2.370 1.00 0.00 H new ATOM 0 HB ILE A 122 -8.999 3.916 4.224 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -10.882 4.072 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.523 4.606 1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.138 5.205 4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.796 6.027 5.049 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.281 6.543 3.416 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -9.857 2.180 1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.292 2.523 1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.672 1.980 2.891 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.800 6.994 1.610 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.917 8.351 1.152 1.00 0.00 C ATOM 1115 C GLY A 123 -6.547 8.961 1.159 1.00 0.00 C ATOM 1116 O GLY A 123 -6.399 10.171 1.300 1.00 0.00 O ATOM 0 H GLY A 123 -7.720 6.302 0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.342 8.379 0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.589 8.915 1.799 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.500 8.132 0.961 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.162 8.633 1.055 1.00 0.00 C ATOM 1122 C GLU A 124 -3.400 8.107 -0.121 1.00 0.00 C ATOM 1123 O GLU A 124 -3.974 7.598 -1.086 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.432 8.152 2.315 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.240 8.330 3.606 1.00 0.00 C ATOM 1126 CD GLU A 124 -4.030 9.750 4.117 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -2.844 10.150 4.318 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -5.044 10.453 4.355 1.00 0.00 O ATOM 0 H GLU A 124 -5.577 7.139 0.741 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.216 9.721 1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.181 7.098 2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.492 8.695 2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.298 8.148 3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.920 7.607 4.356 1.00 0.00 H new ATOM 1135 N GLU A 125 -2.057 8.181 -0.032 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.215 7.635 -1.054 1.00 0.00 C ATOM 1137 C GLU A 125 -0.292 6.677 -0.389 1.00 0.00 C ATOM 1138 O GLU A 125 0.337 6.999 0.621 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.361 8.679 -1.778 1.00 0.00 C ATOM 1140 CG GLU A 125 -1.145 9.476 -2.822 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.680 10.927 -2.772 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.671 11.516 -1.652 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -0.304 11.463 -3.848 1.00 0.00 O ATOM 0 H GLU A 125 -1.557 8.616 0.743 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.860 7.178 -1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 125 0.060 9.367 -1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.477 8.180 -2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.983 9.060 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.215 9.414 -2.621 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.204 5.464 -0.960 1.00 0.00 N ATOM 1151 CA LEU A 126 0.660 4.455 -0.426 1.00 0.00 C ATOM 1152 C LEU A 126 1.818 4.321 -1.364 1.00 0.00 C ATOM 1153 O LEU A 126 1.780 4.777 -2.503 1.00 0.00 O ATOM 1154 CB LEU A 126 0.021 3.055 -0.325 1.00 0.00 C ATOM 1155 CG LEU A 126 -1.030 2.911 0.783 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -0.911 1.585 1.548 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.997 4.035 1.824 1.00 0.00 C ATOM 0 H LEU A 126 -0.728 5.181 -1.788 1.00 0.00 H new ATOM 0 HA LEU A 126 0.923 4.771 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.443 2.812 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.810 2.321 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 126 -1.972 2.954 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.680 1.540 2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.041 0.753 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.073 1.520 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.770 3.860 2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.021 4.054 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -1.177 4.991 1.333 1.00 0.00 H new ATOM 1169 N GLN A 127 2.874 3.627 -0.902 1.00 0.00 N ATOM 1170 CA GLN A 127 3.969 3.300 -1.768 1.00 0.00 C ATOM 1171 C GLN A 127 4.551 2.029 -1.254 1.00 0.00 C ATOM 1172 O GLN A 127 4.426 1.711 -0.074 1.00 0.00 O ATOM 1173 CB GLN A 127 5.085 4.356 -1.787 1.00 0.00 C ATOM 1174 CG GLN A 127 6.015 4.261 -3.009 1.00 0.00 C ATOM 1175 CD GLN A 127 7.437 4.576 -2.561 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.764 5.716 -2.232 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.327 3.549 -2.580 1.00 0.00 N ATOM 0 H GLN A 127 2.972 3.295 0.058 1.00 0.00 H new ATOM 0 HA GLN A 127 3.585 3.233 -2.786 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.633 5.348 -1.763 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.682 4.256 -0.880 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.968 3.263 -3.444 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.698 4.961 -3.782 1.00 0.00 H new ATOM 0 HE21 GLN A 127 8.023 2.616 -2.858 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.299 3.711 -2.316 1.00 0.00 H new ATOM 1186 N VAL A 128 5.197 1.262 -2.147 1.00 0.00 N ATOM 1187 CA VAL A 128 5.872 0.073 -1.726 1.00 0.00 C ATOM 1188 C VAL A 128 7.329 0.294 -1.978 1.00 0.00 C ATOM 1189 O VAL A 128 7.707 0.984 -2.922 1.00 0.00 O ATOM 1190 CB VAL A 128 5.383 -1.193 -2.447 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.316 -2.399 -2.287 1.00 0.00 C ATOM 1192 CG2 VAL A 128 4.015 -1.678 -1.948 1.00 0.00 C ATOM 0 H VAL A 128 5.253 1.459 -3.146 1.00 0.00 H new ATOM 0 HA VAL A 128 5.663 -0.103 -0.671 1.00 0.00 H new ATOM 0 HB VAL A 128 5.342 -0.870 -3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.902 -3.253 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.298 -2.156 -2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.412 -2.647 -1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.725 -2.575 -2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.076 -1.906 -0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.271 -0.898 -2.110 1.00 0.00 H new ATOM 1202 N ASP A 129 8.174 -0.241 -1.080 1.00 0.00 N ATOM 1203 CA ASP A 129 9.589 -0.066 -1.201 1.00 0.00 C ATOM 1204 C ASP A 129 10.209 -1.402 -0.936 1.00 0.00 C ATOM 1205 O ASP A 129 9.520 -2.411 -0.837 1.00 0.00 O ATOM 1206 CB ASP A 129 10.127 0.944 -0.169 1.00 0.00 C ATOM 1207 CG ASP A 129 11.070 1.899 -0.881 1.00 0.00 C ATOM 1208 OD1 ASP A 129 12.146 1.429 -1.335 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.710 3.104 -0.988 1.00 0.00 O ATOM 0 H ASP A 129 7.881 -0.792 -0.274 1.00 0.00 H new ATOM 0 HA ASP A 129 9.829 0.317 -2.193 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.304 1.494 0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.649 0.424 0.634 1.00 0.00 H new ATOM 1214 N PHE A 130 11.546 -1.435 -0.765 1.00 0.00 N ATOM 1215 CA PHE A 130 12.213 -2.680 -0.515 1.00 0.00 C ATOM 1216 C PHE A 130 12.040 -3.000 0.943 1.00 0.00 C ATOM 1217 O PHE A 130 11.570 -2.174 1.727 1.00 0.00 O ATOM 1218 CB PHE A 130 13.715 -2.628 -0.845 1.00 0.00 C ATOM 1219 CG PHE A 130 14.169 -4.014 -1.173 1.00 0.00 C ATOM 1220 CD1 PHE A 130 13.887 -4.584 -2.421 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.927 -4.754 -0.277 1.00 0.00 C ATOM 1222 CE1 PHE A 130 14.271 -5.880 -2.713 1.00 0.00 C ATOM 1223 CE2 PHE A 130 15.302 -6.056 -0.568 1.00 0.00 C ATOM 1224 CZ PHE A 130 14.969 -6.621 -1.780 1.00 0.00 C ATOM 0 H PHE A 130 12.155 -0.618 -0.799 1.00 0.00 H new ATOM 0 HA PHE A 130 11.775 -3.443 -1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 130 13.896 -1.959 -1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 130 14.277 -2.234 0.002 1.00 0.00 H new ATOM 0 HD1 PHE A 130 13.362 -4.003 -3.165 1.00 0.00 H new ATOM 0 HD2 PHE A 130 15.229 -4.309 0.660 1.00 0.00 H new ATOM 0 HE1 PHE A 130 14.025 -6.313 -3.671 1.00 0.00 H new ATOM 0 HE2 PHE A 130 15.858 -6.630 0.158 1.00 0.00 H new ATOM 0 HZ PHE A 130 15.253 -7.640 -1.999 1.00 0.00 H new ATOM 1234 N LEU A 131 12.434 -4.231 1.327 1.00 0.00 N ATOM 1235 CA LEU A 131 12.294 -4.686 2.674 1.00 0.00 C ATOM 1236 C LEU A 131 13.118 -3.808 3.545 1.00 0.00 C ATOM 1237 O LEU A 131 14.329 -3.678 3.376 1.00 0.00 O ATOM 1238 CB LEU A 131 12.748 -6.126 2.882 1.00 0.00 C ATOM 1239 CG LEU A 131 11.628 -7.151 2.690 1.00 0.00 C ATOM 1240 CD1 LEU A 131 12.156 -8.535 2.313 1.00 0.00 C ATOM 1241 CD2 LEU A 131 10.667 -7.228 3.882 1.00 0.00 C ATOM 0 H LEU A 131 12.853 -4.914 0.696 1.00 0.00 H new ATOM 0 HA LEU A 131 11.233 -4.646 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 131 13.557 -6.348 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 131 13.156 -6.229 3.888 1.00 0.00 H new ATOM 0 HG LEU A 131 11.048 -6.783 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 131 11.319 -9.222 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 131 12.713 -8.470 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 131 12.813 -8.901 3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 131 9.897 -7.973 3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 131 11.220 -7.510 4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 131 10.199 -6.256 4.036 1.00 0.00 H new ATOM 1253 N ASP A 132 12.436 -3.228 4.531 1.00 0.00 N ATOM 1254 CA ASP A 132 13.000 -2.180 5.330 1.00 0.00 C ATOM 1255 C ASP A 132 13.851 -2.834 6.443 1.00 0.00 C ATOM 1256 O ASP A 132 15.039 -2.440 6.583 1.00 0.00 O ATOM 1257 CB ASP A 132 11.951 -1.231 5.948 1.00 0.00 C ATOM 1258 CG ASP A 132 10.957 -2.047 6.774 1.00 0.00 C ATOM 1259 OD1 ASP A 132 10.423 -3.076 6.271 1.00 0.00 O ATOM 1260 OD2 ASP A 132 10.569 -1.568 7.873 1.00 0.00 O ATOM 1261 OXT ASP A 132 13.292 -3.659 7.213 1.00 0.00 O ATOM 0 H ASP A 132 11.481 -3.481 4.786 1.00 0.00 H new ATOM 0 HA ASP A 132 13.607 -1.554 4.676 1.00 0.00 H new ATOM 0 HB2 ASP A 132 12.441 -0.488 6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 132 11.428 -0.687 5.162 1.00 0.00 H new TER 1266 ASP A 132