USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 805 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 86 THR OG1 : rot 180:sc= -0.862 USER MOD Set 1.2: A 91 GLN : amide:sc= -0.0971 X(o=-0.96,f=-0.86) USER MOD Set 2.1: A 82 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 95 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 32 LYS NZ :NH3+ 157:sc= -0.0298 (180deg=-0.301) USER MOD Set 3.2: A 63 ASN : amide:sc= -0.107 K(o=-0.14,f=-2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.309 X(o=-0.31,f=-0.13) USER MOD Single : A 14 GLN : amide:sc= -0.0722 K(o=-0.072,f=-1.9!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -3.44! C(o=-3.4!,f=-11!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -169:sc= -0.0304 (180deg=-0.142) USER MOD Single : A 31 CYS SG : rot -3:sc= 0.403 USER MOD Single : A 34 SER OG : rot -49:sc= -0.838 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0671 K(o=-0.067,f=-1.7!) USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= -1.15 (180deg=-2.11!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0.943 K(o=0.94,f=-3.8!) USER MOD Single : A 57 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.785) USER MOD Single : A 58 MET CE :methyl 177:sc= 0 (180deg=-0.0261) USER MOD Single : A 66 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-0.74) USER MOD Single : A 67 SER OG : rot 16:sc= 0.133 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -10:sc= 1.23 USER MOD Single : A 83 CYS SG : rot 180:sc= -1.64 USER MOD Single : A 87 ASN : amide:sc= -5.4! C(o=-5.4!,f=-22!) USER MOD Single : A 92 ASN : amide:sc= -0.305 X(o=-0.31,f=-0.39) USER MOD Single : A 93 SER OG : rot 180:sc= -1.01 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 33:sc= 0.358 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.230 39.417 13.790 1.00 0.00 N ATOM 2 CA GLY A 1 5.312 39.453 12.823 1.00 0.00 C ATOM 3 C GLY A 1 4.841 39.154 11.414 1.00 0.00 C ATOM 4 O GLY A 1 4.498 40.065 10.660 1.00 0.00 O ATOM 0 H1 GLY A 1 4.604 39.628 14.737 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.513 40.126 13.535 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.797 38.471 13.791 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.782 40.436 12.845 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.075 38.729 13.109 1.00 0.00 H new ATOM 8 N SER A 2 4.825 37.874 11.057 1.00 0.00 N ATOM 9 CA SER A 2 4.398 37.457 9.726 1.00 0.00 C ATOM 10 C SER A 2 4.025 35.978 9.714 1.00 0.00 C ATOM 11 O SER A 2 4.540 35.190 10.507 1.00 0.00 O ATOM 12 CB SER A 2 5.504 37.725 8.705 1.00 0.00 C ATOM 13 OG SER A 2 5.132 37.265 7.417 1.00 0.00 O ATOM 0 H SER A 2 5.103 37.108 11.670 1.00 0.00 H new ATOM 0 HA SER A 2 3.516 38.038 9.455 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.716 38.794 8.666 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.422 37.229 9.020 1.00 0.00 H new ATOM 0 HG SER A 2 5.855 37.450 6.782 1.00 0.00 H new ATOM 19 N SER A 3 3.127 35.608 8.807 1.00 0.00 N ATOM 20 CA SER A 3 2.681 34.224 8.692 1.00 0.00 C ATOM 21 C SER A 3 3.333 33.541 7.493 1.00 0.00 C ATOM 22 O SER A 3 3.416 34.115 6.408 1.00 0.00 O ATOM 23 CB SER A 3 1.158 34.165 8.562 1.00 0.00 C ATOM 24 OG SER A 3 0.715 34.885 7.425 1.00 0.00 O ATOM 0 H SER A 3 2.694 36.247 8.141 1.00 0.00 H new ATOM 0 HA SER A 3 2.981 33.695 9.597 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.836 33.126 8.487 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.697 34.577 9.460 1.00 0.00 H new ATOM 0 HG SER A 3 -0.262 34.831 7.363 1.00 0.00 H new ATOM 30 N GLY A 4 3.793 32.311 7.699 1.00 0.00 N ATOM 31 CA GLY A 4 4.431 31.569 6.627 1.00 0.00 C ATOM 32 C GLY A 4 4.257 30.071 6.775 1.00 0.00 C ATOM 33 O GLY A 4 5.035 29.414 7.466 1.00 0.00 O ATOM 0 H GLY A 4 3.735 31.815 8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.015 31.887 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.494 31.808 6.607 1.00 0.00 H new ATOM 37 N SER A 5 3.232 29.529 6.125 1.00 0.00 N ATOM 38 CA SER A 5 2.954 28.099 6.192 1.00 0.00 C ATOM 39 C SER A 5 2.831 27.503 4.793 1.00 0.00 C ATOM 40 O SER A 5 1.907 26.740 4.510 1.00 0.00 O ATOM 41 CB SER A 5 1.669 27.844 6.982 1.00 0.00 C ATOM 42 OG SER A 5 1.822 28.218 8.340 1.00 0.00 O ATOM 0 H SER A 5 2.580 30.059 5.546 1.00 0.00 H new ATOM 0 HA SER A 5 3.787 27.616 6.702 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.848 28.406 6.537 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.404 26.789 6.920 1.00 0.00 H new ATOM 0 HG SER A 5 0.986 28.047 8.823 1.00 0.00 H new ATOM 48 N SER A 6 3.769 27.858 3.920 1.00 0.00 N ATOM 49 CA SER A 6 3.764 27.363 2.549 1.00 0.00 C ATOM 50 C SER A 6 3.684 25.840 2.522 1.00 0.00 C ATOM 51 O SER A 6 4.225 25.163 3.395 1.00 0.00 O ATOM 52 CB SER A 6 5.020 27.832 1.811 1.00 0.00 C ATOM 53 OG SER A 6 6.156 27.085 2.211 1.00 0.00 O ATOM 0 H SER A 6 4.542 28.487 4.138 1.00 0.00 H new ATOM 0 HA SER A 6 2.884 27.765 2.047 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.873 27.729 0.736 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.188 28.890 2.010 1.00 0.00 H new ATOM 0 HG SER A 6 6.945 27.403 1.724 1.00 0.00 H new ATOM 59 N GLY A 7 3.005 25.307 1.511 1.00 0.00 N ATOM 60 CA GLY A 7 2.865 23.867 1.387 1.00 0.00 C ATOM 61 C GLY A 7 4.202 23.164 1.263 1.00 0.00 C ATOM 62 O GLY A 7 5.233 23.805 1.056 1.00 0.00 O ATOM 0 H GLY A 7 2.549 25.846 0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.334 23.480 2.257 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.255 23.638 0.513 1.00 0.00 H new ATOM 66 N PHE A 8 4.187 21.841 1.390 1.00 0.00 N ATOM 67 CA PHE A 8 5.408 21.050 1.292 1.00 0.00 C ATOM 68 C PHE A 8 5.254 19.936 0.261 1.00 0.00 C ATOM 69 O PHE A 8 4.189 19.329 0.143 1.00 0.00 O ATOM 70 CB PHE A 8 5.764 20.453 2.655 1.00 0.00 C ATOM 71 CG PHE A 8 5.342 21.310 3.814 1.00 0.00 C ATOM 72 CD1 PHE A 8 5.923 22.550 4.024 1.00 0.00 C ATOM 73 CD2 PHE A 8 4.362 20.877 4.693 1.00 0.00 C ATOM 74 CE1 PHE A 8 5.536 23.341 5.090 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.971 21.663 5.760 1.00 0.00 C ATOM 76 CZ PHE A 8 4.558 22.897 5.958 1.00 0.00 C ATOM 0 H PHE A 8 3.343 21.294 1.561 1.00 0.00 H new ATOM 0 HA PHE A 8 6.214 21.710 0.970 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.294 19.474 2.748 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.841 20.295 2.703 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.687 22.903 3.347 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.898 19.913 4.542 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.998 24.305 5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 8 3.207 21.313 6.438 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.253 23.514 6.790 1.00 0.00 H new ATOM 86 N ARG A 9 6.323 19.673 -0.482 1.00 0.00 N ATOM 87 CA ARG A 9 6.307 18.634 -1.504 1.00 0.00 C ATOM 88 C ARG A 9 6.006 17.270 -0.889 1.00 0.00 C ATOM 89 O ARG A 9 6.497 16.926 0.187 1.00 0.00 O ATOM 90 CB ARG A 9 7.648 18.589 -2.238 1.00 0.00 C ATOM 91 CG ARG A 9 7.579 17.899 -3.591 1.00 0.00 C ATOM 92 CD ARG A 9 8.910 17.976 -4.324 1.00 0.00 C ATOM 93 NE ARG A 9 9.146 19.301 -4.891 1.00 0.00 N ATOM 94 CZ ARG A 9 8.479 19.784 -5.934 1.00 0.00 C ATOM 95 NH1 ARG A 9 7.540 19.054 -6.519 1.00 0.00 N ATOM 96 NH2 ARG A 9 8.752 20.999 -6.392 1.00 0.00 N ATOM 0 H ARG A 9 7.212 20.165 -0.395 1.00 0.00 H new ATOM 0 HA ARG A 9 5.518 18.874 -2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.011 19.607 -2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.377 18.073 -1.613 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.297 16.855 -3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.801 18.362 -4.198 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.718 17.727 -3.636 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.929 17.232 -5.120 1.00 0.00 H new ATOM 0 HE ARG A 9 9.862 19.888 -4.463 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.328 18.120 -6.169 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.029 19.427 -7.319 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.474 21.563 -5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.240 21.369 -7.193 1.00 0.00 H new ATOM 110 N PRO A 10 5.180 16.475 -1.585 1.00 0.00 N ATOM 111 CA PRO A 10 4.795 15.137 -1.126 1.00 0.00 C ATOM 112 C PRO A 10 5.955 14.149 -1.185 1.00 0.00 C ATOM 113 O PRO A 10 6.295 13.639 -2.253 1.00 0.00 O ATOM 114 CB PRO A 10 3.694 14.729 -2.107 1.00 0.00 C ATOM 115 CG PRO A 10 3.973 15.517 -3.340 1.00 0.00 C ATOM 116 CD PRO A 10 4.558 16.821 -2.874 1.00 0.00 C ATOM 0 HA PRO A 10 4.476 15.139 -0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.720 13.658 -2.308 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.705 14.955 -1.708 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.668 14.988 -3.992 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.060 15.681 -3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.290 17.209 -3.582 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.791 17.587 -2.757 1.00 0.00 H new ATOM 124 N HIS A 11 6.558 13.881 -0.031 1.00 0.00 N ATOM 125 CA HIS A 11 7.680 12.952 0.048 1.00 0.00 C ATOM 126 C HIS A 11 7.422 11.878 1.100 1.00 0.00 C ATOM 127 O HIS A 11 7.158 12.183 2.263 1.00 0.00 O ATOM 128 CB HIS A 11 8.970 13.704 0.376 1.00 0.00 C ATOM 129 CG HIS A 11 9.996 12.860 1.068 1.00 0.00 C ATOM 130 ND1 HIS A 11 10.549 11.731 0.501 1.00 0.00 N ATOM 131 CD2 HIS A 11 10.569 12.986 2.288 1.00 0.00 C ATOM 132 CE1 HIS A 11 11.417 11.199 1.342 1.00 0.00 C ATOM 133 NE2 HIS A 11 11.449 11.941 2.434 1.00 0.00 N ATOM 0 H HIS A 11 6.289 14.294 0.862 1.00 0.00 H new ATOM 0 HA HIS A 11 7.788 12.467 -0.922 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.397 14.096 -0.547 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.731 14.561 1.006 1.00 0.00 H new ATOM 0 HD2 HIS A 11 10.371 13.763 3.012 1.00 0.00 H new ATOM 0 HE1 HIS A 11 12.002 10.308 1.167 1.00 0.00 H new ATOM 0 HE2 HIS A 11 12.032 11.767 3.253 1.00 0.00 H new ATOM 141 N PHE A 12 7.499 10.618 0.683 1.00 0.00 N ATOM 142 CA PHE A 12 7.272 9.498 1.589 1.00 0.00 C ATOM 143 C PHE A 12 8.377 9.414 2.638 1.00 0.00 C ATOM 144 O PHE A 12 9.524 9.093 2.323 1.00 0.00 O ATOM 145 CB PHE A 12 7.197 8.187 0.804 1.00 0.00 C ATOM 146 CG PHE A 12 6.033 8.120 -0.143 1.00 0.00 C ATOM 147 CD1 PHE A 12 4.751 7.885 0.329 1.00 0.00 C ATOM 148 CD2 PHE A 12 6.220 8.292 -1.505 1.00 0.00 C ATOM 149 CE1 PHE A 12 3.678 7.824 -0.539 1.00 0.00 C ATOM 150 CE2 PHE A 12 5.150 8.232 -2.378 1.00 0.00 C ATOM 151 CZ PHE A 12 3.878 7.997 -1.895 1.00 0.00 C ATOM 0 H PHE A 12 7.717 10.347 -0.276 1.00 0.00 H new ATOM 0 HA PHE A 12 6.323 9.662 2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.121 8.057 0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.132 7.356 1.506 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.589 7.748 1.388 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.213 8.475 -1.889 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.684 7.641 -0.158 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.309 8.369 -3.437 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.041 7.949 -2.576 1.00 0.00 H new ATOM 161 N LEU A 13 8.024 9.704 3.885 1.00 0.00 N ATOM 162 CA LEU A 13 8.985 9.662 4.981 1.00 0.00 C ATOM 163 C LEU A 13 9.430 8.230 5.261 1.00 0.00 C ATOM 164 O LEU A 13 10.599 7.980 5.553 1.00 0.00 O ATOM 165 CB LEU A 13 8.376 10.275 6.244 1.00 0.00 C ATOM 166 CG LEU A 13 8.320 11.802 6.289 1.00 0.00 C ATOM 167 CD1 LEU A 13 9.604 12.367 6.877 1.00 0.00 C ATOM 168 CD2 LEU A 13 8.075 12.368 4.897 1.00 0.00 C ATOM 0 H LEU A 13 7.079 9.971 4.162 1.00 0.00 H new ATOM 0 HA LEU A 13 9.859 10.244 4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.362 9.891 6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.947 9.927 7.105 1.00 0.00 H new ATOM 0 HG LEU A 13 7.490 12.097 6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.545 13.455 6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.737 11.989 7.890 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.451 12.063 6.262 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.038 13.456 4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.884 12.063 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.128 11.990 4.512 1.00 0.00 H new ATOM 180 N GLN A 14 8.490 7.295 5.168 1.00 0.00 N ATOM 181 CA GLN A 14 8.786 5.888 5.410 1.00 0.00 C ATOM 182 C GLN A 14 7.975 4.993 4.479 1.00 0.00 C ATOM 183 O GLN A 14 6.747 5.065 4.448 1.00 0.00 O ATOM 184 CB GLN A 14 8.494 5.527 6.867 1.00 0.00 C ATOM 185 CG GLN A 14 9.129 4.218 7.309 1.00 0.00 C ATOM 186 CD GLN A 14 10.558 4.394 7.784 1.00 0.00 C ATOM 187 OE1 GLN A 14 11.067 5.513 7.856 1.00 0.00 O ATOM 188 NE2 GLN A 14 11.214 3.287 8.111 1.00 0.00 N ATOM 0 H GLN A 14 7.518 7.486 4.927 1.00 0.00 H new ATOM 0 HA GLN A 14 9.845 5.726 5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.852 6.330 7.510 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.415 5.463 7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.534 3.783 8.112 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.110 3.511 6.480 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.753 2.380 8.036 1.00 0.00 H new ATOM 0 HE22 GLN A 14 12.179 3.343 8.437 1.00 0.00 H new ATOM 197 N ALA A 15 8.670 4.151 3.721 1.00 0.00 N ATOM 198 CA ALA A 15 8.014 3.241 2.790 1.00 0.00 C ATOM 199 C ALA A 15 8.599 1.837 2.892 1.00 0.00 C ATOM 200 O ALA A 15 9.795 1.651 3.115 1.00 0.00 O ATOM 201 CB ALA A 15 8.136 3.764 1.367 1.00 0.00 C ATOM 0 H ALA A 15 9.687 4.080 3.733 1.00 0.00 H new ATOM 0 HA ALA A 15 6.958 3.187 3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.642 3.075 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.665 4.744 1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.189 3.848 1.099 1.00 0.00 H new ATOM 207 N PRO A 16 7.736 0.823 2.725 1.00 0.00 N ATOM 208 CA PRO A 16 8.145 -0.583 2.794 1.00 0.00 C ATOM 209 C PRO A 16 9.010 -0.994 1.607 1.00 0.00 C ATOM 210 O PRO A 16 9.339 -0.173 0.752 1.00 0.00 O ATOM 211 CB PRO A 16 6.815 -1.341 2.774 1.00 0.00 C ATOM 212 CG PRO A 16 5.866 -0.422 2.086 1.00 0.00 C ATOM 213 CD PRO A 16 6.296 0.971 2.456 1.00 0.00 C ATOM 0 HA PRO A 16 8.755 -0.787 3.674 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.907 -2.287 2.241 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.478 -1.575 3.784 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.897 -0.566 1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.840 -0.611 2.403 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.109 1.678 1.647 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.759 1.338 3.331 1.00 0.00 H new ATOM 221 N GLY A 17 9.376 -2.272 1.562 1.00 0.00 N ATOM 222 CA GLY A 17 10.199 -2.770 0.475 1.00 0.00 C ATOM 223 C GLY A 17 9.816 -4.174 0.054 1.00 0.00 C ATOM 224 O GLY A 17 8.635 -4.478 -0.118 1.00 0.00 O ATOM 0 H GLY A 17 9.117 -2.971 2.259 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.110 -2.100 -0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.245 -2.758 0.781 1.00 0.00 H new ATOM 228 N ASP A 18 10.816 -5.033 -0.115 1.00 0.00 N ATOM 229 CA ASP A 18 10.578 -6.413 -0.520 1.00 0.00 C ATOM 230 C ASP A 18 10.036 -7.236 0.645 1.00 0.00 C ATOM 231 O ASP A 18 10.786 -7.638 1.536 1.00 0.00 O ATOM 232 CB ASP A 18 11.869 -7.042 -1.048 1.00 0.00 C ATOM 233 CG ASP A 18 13.081 -6.651 -0.227 1.00 0.00 C ATOM 234 OD1 ASP A 18 12.915 -6.367 0.978 1.00 0.00 O ATOM 235 OD2 ASP A 18 14.196 -6.627 -0.789 1.00 0.00 O ATOM 0 H ASP A 18 11.799 -4.797 0.022 1.00 0.00 H new ATOM 0 HA ASP A 18 9.833 -6.409 -1.316 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.768 -8.127 -1.047 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.021 -6.737 -2.083 1.00 0.00 H new ATOM 240 N LEU A 19 8.731 -7.481 0.633 1.00 0.00 N ATOM 241 CA LEU A 19 8.088 -8.255 1.689 1.00 0.00 C ATOM 242 C LEU A 19 7.727 -9.653 1.197 1.00 0.00 C ATOM 243 O LEU A 19 7.593 -9.885 -0.005 1.00 0.00 O ATOM 244 CB LEU A 19 6.832 -7.535 2.183 1.00 0.00 C ATOM 245 CG LEU A 19 7.028 -6.100 2.671 1.00 0.00 C ATOM 246 CD1 LEU A 19 5.696 -5.483 3.066 1.00 0.00 C ATOM 247 CD2 LEU A 19 8.003 -6.062 3.839 1.00 0.00 C ATOM 0 H LEU A 19 8.097 -7.155 -0.096 1.00 0.00 H new ATOM 0 HA LEU A 19 8.792 -8.352 2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.101 -7.526 1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.400 -8.118 2.996 1.00 0.00 H new ATOM 0 HG LEU A 19 7.448 -5.514 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.856 -4.461 3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.029 -5.475 2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.246 -6.070 3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.130 -5.032 4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.612 -6.664 4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.966 -6.462 3.522 1.00 0.00 H new ATOM 259 N THR A 20 7.569 -10.582 2.135 1.00 0.00 N ATOM 260 CA THR A 20 7.222 -11.957 1.798 1.00 0.00 C ATOM 261 C THR A 20 6.074 -12.463 2.664 1.00 0.00 C ATOM 262 O THR A 20 6.178 -12.499 3.890 1.00 0.00 O ATOM 263 CB THR A 20 8.430 -12.898 1.965 1.00 0.00 C ATOM 264 OG1 THR A 20 9.592 -12.315 1.365 1.00 0.00 O ATOM 265 CG2 THR A 20 8.152 -14.253 1.332 1.00 0.00 C ATOM 0 H THR A 20 7.676 -10.407 3.134 1.00 0.00 H new ATOM 0 HA THR A 20 6.912 -11.958 0.753 1.00 0.00 H new ATOM 0 HB THR A 20 8.606 -13.042 3.031 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.356 -12.919 1.477 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.019 -14.900 1.463 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.285 -14.707 1.811 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.953 -14.124 0.268 1.00 0.00 H new ATOM 273 N VAL A 21 4.980 -12.853 2.019 1.00 0.00 N ATOM 274 CA VAL A 21 3.812 -13.359 2.731 1.00 0.00 C ATOM 275 C VAL A 21 3.179 -14.529 1.986 1.00 0.00 C ATOM 276 O VAL A 21 2.908 -14.441 0.789 1.00 0.00 O ATOM 277 CB VAL A 21 2.754 -12.257 2.929 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.506 -12.827 3.585 1.00 0.00 C ATOM 279 CG2 VAL A 21 3.325 -11.113 3.753 1.00 0.00 C ATOM 0 H VAL A 21 4.878 -12.828 1.004 1.00 0.00 H new ATOM 0 HA VAL A 21 4.159 -13.698 3.707 1.00 0.00 H new ATOM 0 HB VAL A 21 2.474 -11.865 1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.770 -12.034 3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.087 -13.609 2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.765 -13.247 4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.564 -10.343 3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.634 -11.487 4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.187 -10.688 3.238 1.00 0.00 H new ATOM 289 N GLN A 22 2.944 -15.623 2.704 1.00 0.00 N ATOM 290 CA GLN A 22 2.342 -16.811 2.110 1.00 0.00 C ATOM 291 C GLN A 22 0.896 -16.544 1.705 1.00 0.00 C ATOM 292 O GLN A 22 0.285 -15.576 2.157 1.00 0.00 O ATOM 293 CB GLN A 22 2.402 -17.983 3.091 1.00 0.00 C ATOM 294 CG GLN A 22 2.315 -19.344 2.418 1.00 0.00 C ATOM 295 CD GLN A 22 0.886 -19.808 2.223 1.00 0.00 C ATOM 296 OE1 GLN A 22 0.399 -19.899 1.095 1.00 0.00 O ATOM 297 NE2 GLN A 22 0.204 -20.106 3.323 1.00 0.00 N ATOM 0 H GLN A 22 3.161 -15.711 3.697 1.00 0.00 H new ATOM 0 HA GLN A 22 2.909 -17.066 1.215 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.332 -17.925 3.657 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.586 -17.888 3.808 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.814 -19.299 1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.852 -20.077 3.019 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.647 -20.016 4.238 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.762 -20.425 3.253 1.00 0.00 H new ATOM 306 N GLU A 23 0.356 -17.408 0.852 1.00 0.00 N ATOM 307 CA GLU A 23 -1.018 -17.264 0.386 1.00 0.00 C ATOM 308 C GLU A 23 -2.007 -17.552 1.512 1.00 0.00 C ATOM 309 O GLU A 23 -1.930 -18.588 2.171 1.00 0.00 O ATOM 310 CB GLU A 23 -1.282 -18.203 -0.792 1.00 0.00 C ATOM 311 CG GLU A 23 -2.708 -18.141 -1.313 1.00 0.00 C ATOM 312 CD GLU A 23 -3.629 -19.119 -0.608 1.00 0.00 C ATOM 313 OE1 GLU A 23 -3.166 -20.226 -0.263 1.00 0.00 O ATOM 314 OE2 GLU A 23 -4.812 -18.777 -0.402 1.00 0.00 O ATOM 0 H GLU A 23 0.849 -18.215 0.470 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.157 -16.234 0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.597 -17.956 -1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.060 -19.226 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.093 -17.129 -1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.710 -18.352 -2.382 1.00 0.00 H new ATOM 321 N GLY A 24 -2.937 -16.626 1.726 1.00 0.00 N ATOM 322 CA GLY A 24 -3.928 -16.798 2.773 1.00 0.00 C ATOM 323 C GLY A 24 -3.506 -16.160 4.081 1.00 0.00 C ATOM 324 O GLY A 24 -4.184 -16.305 5.099 1.00 0.00 O ATOM 0 H GLY A 24 -3.022 -15.760 1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.874 -16.363 2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.104 -17.862 2.931 1.00 0.00 H new ATOM 328 N LYS A 25 -2.381 -15.453 4.057 1.00 0.00 N ATOM 329 CA LYS A 25 -1.868 -14.790 5.250 1.00 0.00 C ATOM 330 C LYS A 25 -2.202 -13.302 5.232 1.00 0.00 C ATOM 331 O LYS A 25 -2.696 -12.778 4.232 1.00 0.00 O ATOM 332 CB LYS A 25 -0.353 -14.982 5.354 1.00 0.00 C ATOM 333 CG LYS A 25 0.051 -16.328 5.931 1.00 0.00 C ATOM 334 CD LYS A 25 -0.058 -16.339 7.447 1.00 0.00 C ATOM 335 CE LYS A 25 1.104 -15.602 8.095 1.00 0.00 C ATOM 336 NZ LYS A 25 1.287 -15.996 9.519 1.00 0.00 N ATOM 0 H LYS A 25 -1.807 -15.324 3.224 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.346 -15.241 6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.087 -14.874 4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.063 -14.190 5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.584 -17.109 5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.075 -16.559 5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.997 -15.876 7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.081 -17.369 7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.019 -15.809 7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.931 -14.527 8.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.088 -15.471 9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.423 -15.775 10.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.478 -17.017 9.575 1.00 0.00 H new ATOM 350 N LEU A 26 -1.928 -12.625 6.341 1.00 0.00 N ATOM 351 CA LEU A 26 -2.198 -11.196 6.452 1.00 0.00 C ATOM 352 C LEU A 26 -1.040 -10.378 5.890 1.00 0.00 C ATOM 353 O LEU A 26 0.116 -10.586 6.258 1.00 0.00 O ATOM 354 CB LEU A 26 -2.444 -10.815 7.913 1.00 0.00 C ATOM 355 CG LEU A 26 -2.656 -9.327 8.193 1.00 0.00 C ATOM 356 CD1 LEU A 26 -1.368 -8.552 7.964 1.00 0.00 C ATOM 357 CD2 LEU A 26 -3.774 -8.775 7.320 1.00 0.00 C ATOM 0 H LEU A 26 -1.519 -13.043 7.177 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.092 -10.974 5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.320 -11.359 8.267 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.595 -11.158 8.505 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.945 -9.211 9.237 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.538 -7.495 8.168 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.593 -8.930 8.630 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.049 -8.675 6.929 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.912 -7.715 7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.513 -8.904 6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.699 -9.311 7.532 1.00 0.00 H new ATOM 369 N CYS A 27 -1.359 -9.446 4.998 1.00 0.00 N ATOM 370 CA CYS A 27 -0.345 -8.595 4.386 1.00 0.00 C ATOM 371 C CYS A 27 -0.662 -7.121 4.616 1.00 0.00 C ATOM 372 O CYS A 27 -1.533 -6.552 3.956 1.00 0.00 O ATOM 373 CB CYS A 27 -0.248 -8.880 2.886 1.00 0.00 C ATOM 374 SG CYS A 27 0.716 -7.660 1.964 1.00 0.00 S ATOM 0 H CYS A 27 -2.311 -9.261 4.683 1.00 0.00 H new ATOM 0 HA CYS A 27 0.613 -8.819 4.854 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.198 -9.864 2.742 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.254 -8.922 2.469 1.00 0.00 H new ATOM 0 HG CYS A 27 0.742 -7.988 0.706 1.00 0.00 H new ATOM 380 N ARG A 28 0.049 -6.507 5.556 1.00 0.00 N ATOM 381 CA ARG A 28 -0.158 -5.100 5.875 1.00 0.00 C ATOM 382 C ARG A 28 0.938 -4.236 5.258 1.00 0.00 C ATOM 383 O ARG A 28 2.061 -4.695 5.049 1.00 0.00 O ATOM 384 CB ARG A 28 -0.189 -4.898 7.391 1.00 0.00 C ATOM 385 CG ARG A 28 -0.429 -3.456 7.808 1.00 0.00 C ATOM 386 CD ARG A 28 -0.720 -3.348 9.297 1.00 0.00 C ATOM 387 NE ARG A 28 -0.492 -1.997 9.803 1.00 0.00 N ATOM 388 CZ ARG A 28 0.714 -1.499 10.049 1.00 0.00 C ATOM 389 NH1 ARG A 28 1.796 -2.236 9.837 1.00 0.00 N ATOM 390 NH2 ARG A 28 0.840 -0.260 10.508 1.00 0.00 N ATOM 0 H ARG A 28 0.774 -6.963 6.110 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.117 -4.795 5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.972 -5.526 7.817 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.757 -5.237 7.814 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.446 -2.855 7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.266 -3.047 7.242 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.754 -3.636 9.486 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.089 -4.050 9.842 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.303 -1.404 9.977 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.703 -3.188 9.484 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.721 -1.850 10.027 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.010 0.310 10.672 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.767 0.122 10.697 1.00 0.00 H new ATOM 404 N MET A 29 0.603 -2.983 4.968 1.00 0.00 N ATOM 405 CA MET A 29 1.559 -2.054 4.376 1.00 0.00 C ATOM 406 C MET A 29 1.434 -0.670 5.004 1.00 0.00 C ATOM 407 O MET A 29 0.395 -0.019 4.891 1.00 0.00 O ATOM 408 CB MET A 29 1.344 -1.962 2.864 1.00 0.00 C ATOM 409 CG MET A 29 1.883 -3.160 2.099 1.00 0.00 C ATOM 410 SD MET A 29 2.145 -2.807 0.351 1.00 0.00 S ATOM 411 CE MET A 29 1.344 -4.220 -0.404 1.00 0.00 C ATOM 0 H MET A 29 -0.323 -2.588 5.133 1.00 0.00 H new ATOM 0 HA MET A 29 2.563 -2.432 4.571 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.277 -1.863 2.662 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.824 -1.057 2.491 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.825 -3.478 2.546 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.186 -3.992 2.197 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.587 -4.251 -1.466 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.693 -5.135 0.075 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.264 -4.135 -0.281 1.00 0.00 H new ATOM 421 N ASP A 30 2.497 -0.227 5.666 1.00 0.00 N ATOM 422 CA ASP A 30 2.505 1.080 6.312 1.00 0.00 C ATOM 423 C ASP A 30 3.326 2.081 5.504 1.00 0.00 C ATOM 424 O ASP A 30 4.535 1.916 5.337 1.00 0.00 O ATOM 425 CB ASP A 30 3.067 0.969 7.730 1.00 0.00 C ATOM 426 CG ASP A 30 4.229 -0.002 7.818 1.00 0.00 C ATOM 427 OD1 ASP A 30 5.284 0.280 7.214 1.00 0.00 O ATOM 428 OD2 ASP A 30 4.081 -1.045 8.490 1.00 0.00 O ATOM 0 H ASP A 30 3.364 -0.754 5.769 1.00 0.00 H new ATOM 0 HA ASP A 30 1.477 1.438 6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.393 1.953 8.066 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.276 0.647 8.407 1.00 0.00 H new ATOM 433 N CYS A 31 2.660 3.116 5.003 1.00 0.00 N ATOM 434 CA CYS A 31 3.328 4.142 4.210 1.00 0.00 C ATOM 435 C CYS A 31 2.967 5.536 4.711 1.00 0.00 C ATOM 436 O CYS A 31 1.792 5.863 4.881 1.00 0.00 O ATOM 437 CB CYS A 31 2.948 4.003 2.735 1.00 0.00 C ATOM 438 SG CYS A 31 1.212 4.363 2.382 1.00 0.00 S ATOM 0 H CYS A 31 1.659 3.267 5.132 1.00 0.00 H new ATOM 0 HA CYS A 31 4.404 4.005 4.315 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.574 4.673 2.145 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.171 2.987 2.408 1.00 0.00 H new ATOM 0 HG CYS A 31 0.589 4.624 3.492 1.00 0.00 H new ATOM 444 N LYS A 32 3.986 6.356 4.947 1.00 0.00 N ATOM 445 CA LYS A 32 3.778 7.716 5.430 1.00 0.00 C ATOM 446 C LYS A 32 4.227 8.737 4.389 1.00 0.00 C ATOM 447 O LYS A 32 5.177 8.502 3.643 1.00 0.00 O ATOM 448 CB LYS A 32 4.540 7.937 6.738 1.00 0.00 C ATOM 449 CG LYS A 32 4.721 9.402 7.096 1.00 0.00 C ATOM 450 CD LYS A 32 5.345 9.567 8.472 1.00 0.00 C ATOM 451 CE LYS A 32 4.934 10.882 9.117 1.00 0.00 C ATOM 452 NZ LYS A 32 3.491 10.892 9.485 1.00 0.00 N ATOM 0 H LYS A 32 4.965 6.102 4.811 1.00 0.00 H new ATOM 0 HA LYS A 32 2.712 7.852 5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.008 7.437 7.547 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.520 7.466 6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.352 9.885 6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.755 9.906 7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.043 8.737 9.111 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.431 9.526 8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.537 11.053 10.008 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.139 11.703 8.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.330 11.590 10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.922 11.144 8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.212 9.948 9.822 1.00 0.00 H new ATOM 466 N VAL A 33 3.537 9.873 4.345 1.00 0.00 N ATOM 467 CA VAL A 33 3.867 10.931 3.397 1.00 0.00 C ATOM 468 C VAL A 33 3.651 12.308 4.015 1.00 0.00 C ATOM 469 O VAL A 33 2.568 12.615 4.511 1.00 0.00 O ATOM 470 CB VAL A 33 3.022 10.818 2.114 1.00 0.00 C ATOM 471 CG1 VAL A 33 1.541 10.946 2.436 1.00 0.00 C ATOM 472 CG2 VAL A 33 3.449 11.870 1.102 1.00 0.00 C ATOM 0 H VAL A 33 2.747 10.084 4.954 1.00 0.00 H new ATOM 0 HA VAL A 33 4.920 10.811 3.141 1.00 0.00 H new ATOM 0 HB VAL A 33 3.189 9.835 1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.960 10.864 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.248 10.152 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.352 11.914 2.899 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.842 11.776 0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.312 12.863 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.499 11.726 0.848 1.00 0.00 H new ATOM 482 N SER A 34 4.691 13.135 3.980 1.00 0.00 N ATOM 483 CA SER A 34 4.617 14.480 4.539 1.00 0.00 C ATOM 484 C SER A 34 4.306 15.504 3.452 1.00 0.00 C ATOM 485 O SER A 34 4.944 15.523 2.401 1.00 0.00 O ATOM 486 CB SER A 34 5.933 14.839 5.233 1.00 0.00 C ATOM 487 OG SER A 34 6.908 15.255 4.292 1.00 0.00 O ATOM 0 H SER A 34 5.595 12.897 3.571 1.00 0.00 H new ATOM 0 HA SER A 34 3.811 14.499 5.272 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.760 15.634 5.958 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.303 13.976 5.787 1.00 0.00 H new ATOM 0 HG SER A 34 6.952 14.607 3.558 1.00 0.00 H new ATOM 493 N GLY A 35 3.319 16.355 3.715 1.00 0.00 N ATOM 494 CA GLY A 35 2.938 17.371 2.751 1.00 0.00 C ATOM 495 C GLY A 35 1.667 18.096 3.144 1.00 0.00 C ATOM 496 O GLY A 35 0.839 17.559 3.882 1.00 0.00 O ATOM 0 H GLY A 35 2.776 16.359 4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.748 18.093 2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.801 16.907 1.774 1.00 0.00 H new ATOM 500 N LEU A 36 1.510 19.320 2.653 1.00 0.00 N ATOM 501 CA LEU A 36 0.331 20.123 2.959 1.00 0.00 C ATOM 502 C LEU A 36 -0.117 20.921 1.738 1.00 0.00 C ATOM 503 O LEU A 36 0.688 21.543 1.044 1.00 0.00 O ATOM 504 CB LEU A 36 0.622 21.071 4.123 1.00 0.00 C ATOM 505 CG LEU A 36 -0.591 21.532 4.933 1.00 0.00 C ATOM 506 CD1 LEU A 36 -0.171 21.940 6.336 1.00 0.00 C ATOM 507 CD2 LEU A 36 -1.295 22.683 4.229 1.00 0.00 C ATOM 0 H LEU A 36 2.185 19.779 2.041 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.474 19.446 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.320 20.579 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.127 21.953 3.729 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.290 20.699 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.047 22.265 6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.288 21.090 6.840 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.547 22.758 6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.156 22.999 4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.604 23.519 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.630 22.357 3.244 1.00 0.00 H new ATOM 519 N PRO A 37 -1.431 20.905 1.469 1.00 0.00 N ATOM 520 CA PRO A 37 -2.397 20.167 2.288 1.00 0.00 C ATOM 521 C PRO A 37 -2.249 18.656 2.139 1.00 0.00 C ATOM 522 O PRO A 37 -1.239 18.168 1.631 1.00 0.00 O ATOM 523 CB PRO A 37 -3.750 20.628 1.741 1.00 0.00 C ATOM 524 CG PRO A 37 -3.470 21.046 0.339 1.00 0.00 C ATOM 525 CD PRO A 37 -2.074 21.606 0.345 1.00 0.00 C ATOM 0 HA PRO A 37 -2.263 20.362 3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.485 19.824 1.775 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.153 21.454 2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.548 20.200 -0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.189 21.793 0.004 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.559 21.413 -0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.075 22.686 0.492 1.00 0.00 H new ATOM 533 N THR A 38 -3.262 17.920 2.585 1.00 0.00 N ATOM 534 CA THR A 38 -3.244 16.465 2.502 1.00 0.00 C ATOM 535 C THR A 38 -3.016 15.999 1.069 1.00 0.00 C ATOM 536 O THR A 38 -3.861 16.174 0.191 1.00 0.00 O ATOM 537 CB THR A 38 -4.559 15.856 3.024 1.00 0.00 C ATOM 538 OG1 THR A 38 -4.762 16.229 4.392 1.00 0.00 O ATOM 539 CG2 THR A 38 -4.539 14.340 2.905 1.00 0.00 C ATOM 0 H THR A 38 -4.105 18.308 3.008 1.00 0.00 H new ATOM 0 HA THR A 38 -2.420 16.123 3.128 1.00 0.00 H new ATOM 0 HB THR A 38 -5.378 16.241 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.601 15.840 4.716 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.478 13.933 3.280 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.413 14.059 1.859 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.711 13.940 3.490 1.00 0.00 H new ATOM 547 N PRO A 39 -1.846 15.390 0.823 1.00 0.00 N ATOM 548 CA PRO A 39 -1.480 14.885 -0.504 1.00 0.00 C ATOM 549 C PRO A 39 -2.309 13.671 -0.911 1.00 0.00 C ATOM 550 O PRO A 39 -2.272 12.632 -0.252 1.00 0.00 O ATOM 551 CB PRO A 39 -0.008 14.496 -0.342 1.00 0.00 C ATOM 552 CG PRO A 39 0.151 14.214 1.113 1.00 0.00 C ATOM 553 CD PRO A 39 -0.791 15.147 1.821 1.00 0.00 C ATOM 0 HA PRO A 39 -1.657 15.625 -1.284 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.239 13.622 -0.944 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.652 15.301 -0.664 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.088 13.174 1.337 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.180 14.381 1.433 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.193 14.699 2.730 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.295 16.072 2.115 1.00 0.00 H new ATOM 561 N ASP A 40 -3.056 13.810 -2.000 1.00 0.00 N ATOM 562 CA ASP A 40 -3.894 12.724 -2.497 1.00 0.00 C ATOM 563 C ASP A 40 -3.066 11.719 -3.291 1.00 0.00 C ATOM 564 O ASP A 40 -2.374 12.083 -4.243 1.00 0.00 O ATOM 565 CB ASP A 40 -5.021 13.279 -3.370 1.00 0.00 C ATOM 566 CG ASP A 40 -5.651 12.215 -4.247 1.00 0.00 C ATOM 567 OD1 ASP A 40 -5.968 11.127 -3.724 1.00 0.00 O ATOM 568 OD2 ASP A 40 -5.825 12.470 -5.457 1.00 0.00 O ATOM 0 H ASP A 40 -3.099 14.664 -2.556 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.329 12.212 -1.639 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.787 13.720 -2.732 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.630 14.079 -3.999 1.00 0.00 H new ATOM 573 N LEU A 41 -3.141 10.454 -2.894 1.00 0.00 N ATOM 574 CA LEU A 41 -2.397 9.395 -3.568 1.00 0.00 C ATOM 575 C LEU A 41 -3.329 8.269 -4.005 1.00 0.00 C ATOM 576 O LEU A 41 -4.365 8.031 -3.384 1.00 0.00 O ATOM 577 CB LEU A 41 -1.308 8.843 -2.647 1.00 0.00 C ATOM 578 CG LEU A 41 -1.763 8.418 -1.250 1.00 0.00 C ATOM 579 CD1 LEU A 41 -0.891 7.287 -0.726 1.00 0.00 C ATOM 580 CD2 LEU A 41 -1.733 9.603 -0.296 1.00 0.00 C ATOM 0 H LEU A 41 -3.709 10.136 -2.109 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.930 9.821 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.849 7.983 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.532 9.601 -2.540 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.789 8.057 -1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.229 6.998 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.963 6.431 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.145 7.621 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.060 9.282 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.718 9.994 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.400 10.383 -0.663 1.00 0.00 H new ATOM 592 N SER A 42 -2.952 7.577 -5.076 1.00 0.00 N ATOM 593 CA SER A 42 -3.754 6.477 -5.597 1.00 0.00 C ATOM 594 C SER A 42 -2.927 5.198 -5.691 1.00 0.00 C ATOM 595 O SER A 42 -1.750 5.233 -6.052 1.00 0.00 O ATOM 596 CB SER A 42 -4.318 6.835 -6.973 1.00 0.00 C ATOM 597 OG SER A 42 -5.373 5.962 -7.335 1.00 0.00 O ATOM 0 H SER A 42 -2.096 7.759 -5.600 1.00 0.00 H new ATOM 0 HA SER A 42 -4.580 6.305 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.679 7.863 -6.965 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.525 6.782 -7.719 1.00 0.00 H new ATOM 0 HG SER A 42 -5.717 6.213 -8.218 1.00 0.00 H new ATOM 603 N TRP A 43 -3.550 4.072 -5.363 1.00 0.00 N ATOM 604 CA TRP A 43 -2.872 2.782 -5.410 1.00 0.00 C ATOM 605 C TRP A 43 -3.048 2.125 -6.775 1.00 0.00 C ATOM 606 O TRP A 43 -4.111 2.221 -7.387 1.00 0.00 O ATOM 607 CB TRP A 43 -3.409 1.860 -4.314 1.00 0.00 C ATOM 608 CG TRP A 43 -3.083 2.332 -2.929 1.00 0.00 C ATOM 609 CD1 TRP A 43 -3.877 3.084 -2.111 1.00 0.00 C ATOM 610 CD2 TRP A 43 -1.874 2.085 -2.202 1.00 0.00 C ATOM 611 NE1 TRP A 43 -3.235 3.320 -0.919 1.00 0.00 N ATOM 612 CE2 TRP A 43 -2.005 2.717 -0.950 1.00 0.00 C ATOM 613 CE3 TRP A 43 -0.695 1.391 -2.486 1.00 0.00 C ATOM 614 CZ2 TRP A 43 -1.001 2.674 0.014 1.00 0.00 C ATOM 615 CZ3 TRP A 43 0.300 1.349 -1.529 1.00 0.00 C ATOM 616 CH2 TRP A 43 0.143 1.987 -0.291 1.00 0.00 C ATOM 0 H TRP A 43 -4.523 4.026 -5.062 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.808 2.952 -5.243 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.491 1.777 -4.417 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.998 0.861 -4.456 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.865 3.441 -2.364 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.613 3.857 -0.138 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.564 0.896 -3.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.121 3.165 0.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.215 0.815 -1.738 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.940 1.936 0.436 1.00 0.00 H new ATOM 627 N GLN A 44 -1.999 1.457 -7.245 1.00 0.00 N ATOM 628 CA GLN A 44 -2.039 0.784 -8.538 1.00 0.00 C ATOM 629 C GLN A 44 -1.262 -0.527 -8.493 1.00 0.00 C ATOM 630 O GLN A 44 -0.082 -0.551 -8.138 1.00 0.00 O ATOM 631 CB GLN A 44 -1.467 1.693 -9.627 1.00 0.00 C ATOM 632 CG GLN A 44 -2.209 3.012 -9.771 1.00 0.00 C ATOM 633 CD GLN A 44 -2.046 3.626 -11.147 1.00 0.00 C ATOM 634 OE1 GLN A 44 -1.363 3.073 -12.010 1.00 0.00 O ATOM 635 NE2 GLN A 44 -2.674 4.777 -11.360 1.00 0.00 N ATOM 0 H GLN A 44 -1.112 1.368 -6.750 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.080 0.560 -8.771 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.420 1.897 -9.405 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.493 1.165 -10.580 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.269 2.852 -9.572 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.846 3.713 -9.019 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.229 5.200 -10.616 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.601 5.238 -12.267 1.00 0.00 H new ATOM 644 N LEU A 45 -1.929 -1.617 -8.856 1.00 0.00 N ATOM 645 CA LEU A 45 -1.301 -2.934 -8.857 1.00 0.00 C ATOM 646 C LEU A 45 -1.140 -3.459 -10.280 1.00 0.00 C ATOM 647 O LEU A 45 -2.115 -3.582 -11.021 1.00 0.00 O ATOM 648 CB LEU A 45 -2.130 -3.917 -8.029 1.00 0.00 C ATOM 649 CG LEU A 45 -1.581 -5.341 -7.929 1.00 0.00 C ATOM 650 CD1 LEU A 45 -0.189 -5.333 -7.315 1.00 0.00 C ATOM 651 CD2 LEU A 45 -2.520 -6.219 -7.115 1.00 0.00 C ATOM 0 H LEU A 45 -2.905 -1.615 -9.153 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.311 -2.838 -8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.231 -3.516 -7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.132 -3.965 -8.455 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.511 -5.755 -8.935 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.186 -6.354 -7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.480 -4.739 -7.938 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.235 -4.900 -6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.113 -7.228 -7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.623 -5.808 -6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.498 -6.250 -7.596 1.00 0.00 H new ATOM 663 N ASP A 46 0.097 -3.769 -10.654 1.00 0.00 N ATOM 664 CA ASP A 46 0.386 -4.284 -11.987 1.00 0.00 C ATOM 665 C ASP A 46 0.030 -3.255 -13.056 1.00 0.00 C ATOM 666 O ASP A 46 -0.368 -3.609 -14.165 1.00 0.00 O ATOM 667 CB ASP A 46 -0.386 -5.581 -12.234 1.00 0.00 C ATOM 668 CG ASP A 46 0.208 -6.403 -13.361 1.00 0.00 C ATOM 669 OD1 ASP A 46 1.448 -6.549 -13.400 1.00 0.00 O ATOM 670 OD2 ASP A 46 -0.567 -6.900 -14.205 1.00 0.00 O ATOM 0 H ASP A 46 0.915 -3.672 -10.053 1.00 0.00 H new ATOM 0 HA ASP A 46 1.455 -4.489 -12.047 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.394 -6.175 -11.320 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.424 -5.344 -12.469 1.00 0.00 H new ATOM 675 N GLY A 47 0.177 -1.979 -12.714 1.00 0.00 N ATOM 676 CA GLY A 47 -0.134 -0.918 -13.655 1.00 0.00 C ATOM 677 C GLY A 47 -1.626 -0.703 -13.814 1.00 0.00 C ATOM 678 O GLY A 47 -2.074 -0.109 -14.794 1.00 0.00 O ATOM 0 H GLY A 47 0.506 -1.661 -11.802 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.330 0.009 -13.319 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.301 -1.158 -14.625 1.00 0.00 H new ATOM 682 N LYS A 48 -2.398 -1.189 -12.848 1.00 0.00 N ATOM 683 CA LYS A 48 -3.849 -1.048 -12.884 1.00 0.00 C ATOM 684 C LYS A 48 -4.371 -0.454 -11.580 1.00 0.00 C ATOM 685 O LYS A 48 -3.767 -0.602 -10.517 1.00 0.00 O ATOM 686 CB LYS A 48 -4.508 -2.406 -13.138 1.00 0.00 C ATOM 687 CG LYS A 48 -4.261 -2.950 -14.535 1.00 0.00 C ATOM 688 CD LYS A 48 -5.332 -2.490 -15.510 1.00 0.00 C ATOM 689 CE LYS A 48 -6.588 -3.340 -15.399 1.00 0.00 C ATOM 690 NZ LYS A 48 -7.547 -2.785 -14.404 1.00 0.00 N ATOM 0 H LYS A 48 -2.043 -1.684 -12.030 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.103 -0.370 -13.699 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.136 -3.124 -12.407 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.582 -2.315 -12.977 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.283 -2.622 -14.886 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.240 -4.039 -14.504 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.579 -1.446 -15.315 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.945 -2.541 -16.528 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.072 -3.402 -16.374 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.315 -4.356 -15.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.506 -3.126 -14.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.275 -3.095 -13.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.531 -1.746 -14.448 1.00 0.00 H new ATOM 704 N PRO A 49 -5.520 0.233 -11.659 1.00 0.00 N ATOM 705 CA PRO A 49 -6.149 0.861 -10.494 1.00 0.00 C ATOM 706 C PRO A 49 -6.715 -0.165 -9.518 1.00 0.00 C ATOM 707 O PRO A 49 -7.752 -0.776 -9.777 1.00 0.00 O ATOM 708 CB PRO A 49 -7.276 1.696 -11.106 1.00 0.00 C ATOM 709 CG PRO A 49 -7.593 1.019 -12.394 1.00 0.00 C ATOM 710 CD PRO A 49 -6.294 0.449 -12.893 1.00 0.00 C ATOM 0 HA PRO A 49 -5.437 1.445 -9.911 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.146 1.727 -10.451 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.962 2.727 -11.268 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.334 0.233 -12.250 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.012 1.724 -13.113 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.447 -0.482 -13.439 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.787 1.137 -13.570 1.00 0.00 H new ATOM 718 N VAL A 50 -6.029 -0.348 -8.394 1.00 0.00 N ATOM 719 CA VAL A 50 -6.465 -1.299 -7.379 1.00 0.00 C ATOM 720 C VAL A 50 -7.608 -0.729 -6.547 1.00 0.00 C ATOM 721 O VAL A 50 -7.460 0.306 -5.896 1.00 0.00 O ATOM 722 CB VAL A 50 -5.307 -1.689 -6.441 1.00 0.00 C ATOM 723 CG1 VAL A 50 -4.726 -0.454 -5.768 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.778 -2.698 -5.405 1.00 0.00 C ATOM 0 H VAL A 50 -5.169 0.150 -8.164 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.811 -2.188 -7.906 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.521 -2.153 -7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.909 -0.749 -5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.350 0.231 -6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.502 0.041 -5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.947 -2.962 -4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.582 -2.262 -4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.142 -3.593 -5.909 1.00 0.00 H new ATOM 734 N ARG A 51 -8.749 -1.411 -6.572 1.00 0.00 N ATOM 735 CA ARG A 51 -9.918 -0.972 -5.821 1.00 0.00 C ATOM 736 C ARG A 51 -10.119 -1.831 -4.576 1.00 0.00 C ATOM 737 O ARG A 51 -9.791 -3.018 -4.551 1.00 0.00 O ATOM 738 CB ARG A 51 -11.168 -1.031 -6.701 1.00 0.00 C ATOM 739 CG ARG A 51 -11.414 -2.397 -7.319 1.00 0.00 C ATOM 740 CD ARG A 51 -12.590 -2.370 -8.282 1.00 0.00 C ATOM 741 NE ARG A 51 -12.737 -3.631 -9.003 1.00 0.00 N ATOM 742 CZ ARG A 51 -13.395 -3.749 -10.151 1.00 0.00 C ATOM 743 NH1 ARG A 51 -13.963 -2.687 -10.706 1.00 0.00 N ATOM 744 NH2 ARG A 51 -13.485 -4.931 -10.747 1.00 0.00 N ATOM 0 H ARG A 51 -8.888 -2.270 -7.105 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.751 0.058 -5.507 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.036 -0.750 -6.104 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.076 -0.292 -7.497 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.518 -2.725 -7.846 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.605 -3.125 -6.531 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.506 -2.160 -7.730 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.455 -1.558 -8.996 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.311 -4.467 -8.603 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.895 -1.776 -10.251 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.468 -2.781 -11.588 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.049 -5.750 -10.324 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.990 -5.021 -11.628 1.00 0.00 H new ATOM 758 N PRO A 52 -10.670 -1.220 -3.517 1.00 0.00 N ATOM 759 CA PRO A 52 -10.927 -1.910 -2.249 1.00 0.00 C ATOM 760 C PRO A 52 -12.049 -2.936 -2.365 1.00 0.00 C ATOM 761 O PRO A 52 -13.083 -2.673 -2.979 1.00 0.00 O ATOM 762 CB PRO A 52 -11.334 -0.777 -1.304 1.00 0.00 C ATOM 763 CG PRO A 52 -11.873 0.286 -2.198 1.00 0.00 C ATOM 764 CD PRO A 52 -11.086 0.192 -3.475 1.00 0.00 C ATOM 0 HA PRO A 52 -10.059 -2.475 -1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.085 -1.110 -0.587 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.482 -0.416 -0.729 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.937 0.137 -2.383 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.763 1.271 -1.744 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.692 0.458 -4.341 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.228 0.864 -3.468 1.00 0.00 H new ATOM 772 N ASP A 53 -11.839 -4.105 -1.770 1.00 0.00 N ATOM 773 CA ASP A 53 -12.834 -5.171 -1.805 1.00 0.00 C ATOM 774 C ASP A 53 -12.968 -5.835 -0.439 1.00 0.00 C ATOM 775 O ASP A 53 -12.293 -5.452 0.517 1.00 0.00 O ATOM 776 CB ASP A 53 -12.458 -6.214 -2.859 1.00 0.00 C ATOM 777 CG ASP A 53 -13.669 -6.941 -3.411 1.00 0.00 C ATOM 778 OD1 ASP A 53 -14.772 -6.357 -3.389 1.00 0.00 O ATOM 779 OD2 ASP A 53 -13.513 -8.094 -3.865 1.00 0.00 O ATOM 0 H ASP A 53 -10.989 -4.339 -1.258 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.795 -4.729 -2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.927 -5.726 -3.676 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.771 -6.938 -2.421 1.00 0.00 H new ATOM 784 N SER A 54 -13.843 -6.831 -0.353 1.00 0.00 N ATOM 785 CA SER A 54 -14.069 -7.545 0.898 1.00 0.00 C ATOM 786 C SER A 54 -12.746 -7.980 1.522 1.00 0.00 C ATOM 787 O SER A 54 -12.648 -8.156 2.736 1.00 0.00 O ATOM 788 CB SER A 54 -14.959 -8.767 0.659 1.00 0.00 C ATOM 789 OG SER A 54 -15.229 -9.446 1.873 1.00 0.00 O ATOM 0 H SER A 54 -14.408 -7.162 -1.135 1.00 0.00 H new ATOM 0 HA SER A 54 -14.571 -6.868 1.589 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.896 -8.454 0.198 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.470 -9.446 -0.040 1.00 0.00 H new ATOM 0 HG SER A 54 -15.800 -10.222 1.694 1.00 0.00 H new ATOM 795 N ALA A 55 -11.731 -8.151 0.682 1.00 0.00 N ATOM 796 CA ALA A 55 -10.413 -8.562 1.149 1.00 0.00 C ATOM 797 C ALA A 55 -9.479 -7.364 1.283 1.00 0.00 C ATOM 798 O ALA A 55 -8.903 -7.129 2.346 1.00 0.00 O ATOM 799 CB ALA A 55 -9.817 -9.596 0.205 1.00 0.00 C ATOM 0 H ALA A 55 -11.796 -8.011 -0.326 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.528 -9.011 2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.833 -9.894 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.468 -10.469 0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.723 -9.167 -0.792 1.00 0.00 H new ATOM 805 N HIS A 56 -9.332 -6.610 0.199 1.00 0.00 N ATOM 806 CA HIS A 56 -8.467 -5.435 0.196 1.00 0.00 C ATOM 807 C HIS A 56 -9.141 -4.262 0.901 1.00 0.00 C ATOM 808 O HIS A 56 -10.227 -3.830 0.512 1.00 0.00 O ATOM 809 CB HIS A 56 -8.107 -5.045 -1.238 1.00 0.00 C ATOM 810 CG HIS A 56 -7.676 -6.203 -2.084 1.00 0.00 C ATOM 811 ND1 HIS A 56 -8.564 -7.091 -2.654 1.00 0.00 N ATOM 812 CD2 HIS A 56 -6.442 -6.615 -2.458 1.00 0.00 C ATOM 813 CE1 HIS A 56 -7.895 -8.000 -3.340 1.00 0.00 C ATOM 814 NE2 HIS A 56 -6.605 -7.734 -3.237 1.00 0.00 N ATOM 0 H HIS A 56 -9.800 -6.791 -0.689 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.554 -5.685 0.737 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -8.969 -4.567 -1.703 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.307 -4.305 -1.214 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.504 -6.150 -2.193 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -8.329 -8.821 -3.891 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.852 -8.272 -3.666 1.00 0.00 H new ATOM 822 N LYS A 57 -8.491 -3.751 1.941 1.00 0.00 N ATOM 823 CA LYS A 57 -9.026 -2.628 2.702 1.00 0.00 C ATOM 824 C LYS A 57 -7.988 -1.519 2.836 1.00 0.00 C ATOM 825 O LYS A 57 -6.904 -1.733 3.378 1.00 0.00 O ATOM 826 CB LYS A 57 -9.475 -3.093 4.089 1.00 0.00 C ATOM 827 CG LYS A 57 -10.012 -1.971 4.962 1.00 0.00 C ATOM 828 CD LYS A 57 -10.840 -2.511 6.116 1.00 0.00 C ATOM 829 CE LYS A 57 -9.959 -2.967 7.269 1.00 0.00 C ATOM 830 NZ LYS A 57 -9.484 -4.366 7.084 1.00 0.00 N ATOM 0 H LYS A 57 -7.592 -4.097 2.276 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.887 -2.232 2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.246 -3.855 3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.633 -3.565 4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.181 -1.383 5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.622 -1.299 4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.527 -1.740 6.465 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.448 -3.346 5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.101 -2.301 7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.516 -2.893 8.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.621 -4.899 7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.025 -4.818 6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.474 -4.360 6.836 1.00 0.00 H new ATOM 844 N MET A 58 -8.329 -0.333 2.342 1.00 0.00 N ATOM 845 CA MET A 58 -7.426 0.811 2.410 1.00 0.00 C ATOM 846 C MET A 58 -7.844 1.767 3.522 1.00 0.00 C ATOM 847 O MET A 58 -9.032 2.032 3.713 1.00 0.00 O ATOM 848 CB MET A 58 -7.401 1.548 1.070 1.00 0.00 C ATOM 849 CG MET A 58 -6.734 0.758 -0.046 1.00 0.00 C ATOM 850 SD MET A 58 -7.606 -0.772 -0.430 1.00 0.00 S ATOM 851 CE MET A 58 -7.543 -0.758 -2.220 1.00 0.00 C ATOM 0 H MET A 58 -9.223 -0.139 1.891 1.00 0.00 H new ATOM 0 HA MET A 58 -6.425 0.440 2.631 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.423 1.785 0.776 1.00 0.00 H new ATOM 0 HB3 MET A 58 -6.878 2.496 1.196 1.00 0.00 H new ATOM 0 HG2 MET A 58 -6.681 1.376 -0.942 1.00 0.00 H new ATOM 0 HG3 MET A 58 -5.709 0.525 0.242 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.996 -1.671 -2.607 1.00 0.00 H new ATOM 0 HE2 MET A 58 -8.090 0.107 -2.597 1.00 0.00 H new ATOM 0 HE3 MET A 58 -6.505 -0.701 -2.547 1.00 0.00 H new ATOM 861 N LEU A 59 -6.862 2.283 4.252 1.00 0.00 N ATOM 862 CA LEU A 59 -7.128 3.211 5.346 1.00 0.00 C ATOM 863 C LEU A 59 -6.593 4.603 5.022 1.00 0.00 C ATOM 864 O LEU A 59 -5.582 4.745 4.334 1.00 0.00 O ATOM 865 CB LEU A 59 -6.497 2.698 6.642 1.00 0.00 C ATOM 866 CG LEU A 59 -6.840 1.260 7.031 1.00 0.00 C ATOM 867 CD1 LEU A 59 -5.718 0.648 7.856 1.00 0.00 C ATOM 868 CD2 LEU A 59 -8.154 1.213 7.797 1.00 0.00 C ATOM 0 H LEU A 59 -5.874 2.075 4.107 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.208 3.279 5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.414 2.781 6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.801 3.356 7.456 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.954 0.675 6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.980 -0.376 8.124 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.797 0.646 7.273 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.572 1.234 8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.382 0.181 8.066 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.069 1.813 8.703 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.954 1.610 7.172 1.00 0.00 H new ATOM 880 N VAL A 60 -7.275 5.626 5.526 1.00 0.00 N ATOM 881 CA VAL A 60 -6.866 7.006 5.294 1.00 0.00 C ATOM 882 C VAL A 60 -6.802 7.787 6.601 1.00 0.00 C ATOM 883 O VAL A 60 -7.822 8.251 7.110 1.00 0.00 O ATOM 884 CB VAL A 60 -7.829 7.722 4.328 1.00 0.00 C ATOM 885 CG1 VAL A 60 -7.426 9.178 4.154 1.00 0.00 C ATOM 886 CG2 VAL A 60 -7.867 7.006 2.986 1.00 0.00 C ATOM 0 H VAL A 60 -8.114 5.525 6.098 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.873 6.971 4.846 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.831 7.696 4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.118 9.668 3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.456 9.682 5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.416 9.230 3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.552 7.525 2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.868 6.998 2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.208 5.981 3.130 1.00 0.00 H new ATOM 896 N ARG A 61 -5.595 7.930 7.140 1.00 0.00 N ATOM 897 CA ARG A 61 -5.397 8.655 8.389 1.00 0.00 C ATOM 898 C ARG A 61 -5.233 10.150 8.130 1.00 0.00 C ATOM 899 O ARG A 61 -4.263 10.579 7.505 1.00 0.00 O ATOM 900 CB ARG A 61 -4.169 8.117 9.126 1.00 0.00 C ATOM 901 CG ARG A 61 -4.477 6.951 10.051 1.00 0.00 C ATOM 902 CD ARG A 61 -3.212 6.205 10.447 1.00 0.00 C ATOM 903 NE ARG A 61 -3.345 5.554 11.747 1.00 0.00 N ATOM 904 CZ ARG A 61 -3.394 6.216 12.898 1.00 0.00 C ATOM 905 NH1 ARG A 61 -3.322 7.540 12.909 1.00 0.00 N ATOM 906 NH2 ARG A 61 -3.515 5.553 14.041 1.00 0.00 N ATOM 0 H ARG A 61 -4.740 7.553 6.731 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.280 8.506 9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.425 7.803 8.394 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.723 8.923 9.708 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.980 7.318 10.946 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.166 6.265 9.557 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.980 5.457 9.689 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.374 6.901 10.474 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.403 4.536 11.773 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.229 8.053 12.032 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.360 8.045 13.794 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.570 4.535 14.036 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.553 6.062 14.924 1.00 0.00 H new ATOM 920 N GLU A 62 -6.189 10.938 8.613 1.00 0.00 N ATOM 921 CA GLU A 62 -6.150 12.384 8.432 1.00 0.00 C ATOM 922 C GLU A 62 -4.716 12.901 8.486 1.00 0.00 C ATOM 923 O GLU A 62 -4.254 13.578 7.568 1.00 0.00 O ATOM 924 CB GLU A 62 -6.994 13.077 9.504 1.00 0.00 C ATOM 925 CG GLU A 62 -7.551 14.421 9.065 1.00 0.00 C ATOM 926 CD GLU A 62 -6.464 15.449 8.814 1.00 0.00 C ATOM 927 OE1 GLU A 62 -5.892 15.959 9.800 1.00 0.00 O ATOM 928 OE2 GLU A 62 -6.186 15.742 7.633 1.00 0.00 O ATOM 0 H GLU A 62 -6.999 10.599 9.132 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.563 12.613 7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.821 12.424 9.782 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.386 13.219 10.397 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.137 14.288 8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.231 14.796 9.830 1.00 0.00 H new ATOM 935 N ASN A 63 -4.016 12.577 9.568 1.00 0.00 N ATOM 936 CA ASN A 63 -2.634 13.009 9.743 1.00 0.00 C ATOM 937 C ASN A 63 -1.884 12.984 8.414 1.00 0.00 C ATOM 938 O ASN A 63 -1.312 13.988 7.993 1.00 0.00 O ATOM 939 CB ASN A 63 -1.923 12.115 10.760 1.00 0.00 C ATOM 940 CG ASN A 63 -0.415 12.152 10.608 1.00 0.00 C ATOM 941 OD1 ASN A 63 0.153 11.451 9.769 1.00 0.00 O ATOM 942 ND2 ASN A 63 0.242 12.971 11.420 1.00 0.00 N ATOM 0 H ASN A 63 -4.383 12.017 10.337 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.644 14.033 10.115 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.192 12.431 11.768 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.272 11.089 10.644 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.258 13.038 11.364 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.269 13.533 12.100 1.00 0.00 H new ATOM 949 N GLY A 64 -1.892 11.827 7.758 1.00 0.00 N ATOM 950 CA GLY A 64 -1.210 11.692 6.485 1.00 0.00 C ATOM 951 C GLY A 64 -0.485 10.367 6.353 1.00 0.00 C ATOM 952 O GLY A 64 0.644 10.315 5.866 1.00 0.00 O ATOM 0 H GLY A 64 -2.359 10.981 8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.934 11.788 5.676 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.495 12.507 6.371 1.00 0.00 H new ATOM 956 N VAL A 65 -1.135 9.293 6.789 1.00 0.00 N ATOM 957 CA VAL A 65 -0.545 7.962 6.717 1.00 0.00 C ATOM 958 C VAL A 65 -1.519 6.961 6.107 1.00 0.00 C ATOM 959 O VAL A 65 -2.557 6.651 6.693 1.00 0.00 O ATOM 960 CB VAL A 65 -0.119 7.461 8.110 1.00 0.00 C ATOM 961 CG1 VAL A 65 0.090 5.955 8.096 1.00 0.00 C ATOM 962 CG2 VAL A 65 1.142 8.178 8.570 1.00 0.00 C ATOM 0 H VAL A 65 -2.070 9.319 7.196 1.00 0.00 H new ATOM 0 HA VAL A 65 0.337 8.041 6.081 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.917 7.686 8.818 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.391 5.620 9.089 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.839 5.461 7.812 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.869 5.702 7.377 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.429 7.812 9.556 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.949 7.986 7.862 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.953 9.250 8.622 1.00 0.00 H new ATOM 972 N HIS A 66 -1.179 6.457 4.925 1.00 0.00 N ATOM 973 CA HIS A 66 -2.023 5.489 4.234 1.00 0.00 C ATOM 974 C HIS A 66 -1.547 4.065 4.500 1.00 0.00 C ATOM 975 O HIS A 66 -0.364 3.832 4.750 1.00 0.00 O ATOM 976 CB HIS A 66 -2.027 5.766 2.730 1.00 0.00 C ATOM 977 CG HIS A 66 -3.028 6.798 2.313 1.00 0.00 C ATOM 978 ND1 HIS A 66 -3.989 6.569 1.350 1.00 0.00 N ATOM 979 CD2 HIS A 66 -3.216 8.070 2.734 1.00 0.00 C ATOM 980 CE1 HIS A 66 -4.723 7.656 1.197 1.00 0.00 C ATOM 981 NE2 HIS A 66 -4.275 8.582 2.026 1.00 0.00 N ATOM 0 H HIS A 66 -0.324 6.703 4.426 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.038 5.591 4.617 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.032 6.093 2.427 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.233 4.837 2.199 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.640 8.587 3.487 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.549 7.769 0.511 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -4.654 9.524 2.124 1.00 0.00 H new ATOM 989 N SER A 67 -2.476 3.115 4.445 1.00 0.00 N ATOM 990 CA SER A 67 -2.151 1.714 4.686 1.00 0.00 C ATOM 991 C SER A 67 -3.020 0.800 3.826 1.00 0.00 C ATOM 992 O SER A 67 -4.241 0.951 3.777 1.00 0.00 O ATOM 993 CB SER A 67 -2.339 1.371 6.165 1.00 0.00 C ATOM 994 OG SER A 67 -1.233 1.809 6.934 1.00 0.00 O ATOM 0 H SER A 67 -3.459 3.290 4.236 1.00 0.00 H new ATOM 0 HA SER A 67 -1.107 1.557 4.414 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.252 1.837 6.537 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.462 0.294 6.279 1.00 0.00 H new ATOM 0 HG SER A 67 -0.709 2.454 6.415 1.00 0.00 H new ATOM 1000 N LEU A 68 -2.381 -0.147 3.149 1.00 0.00 N ATOM 1001 CA LEU A 68 -3.093 -1.087 2.290 1.00 0.00 C ATOM 1002 C LEU A 68 -3.088 -2.488 2.893 1.00 0.00 C ATOM 1003 O LEU A 68 -2.147 -3.257 2.693 1.00 0.00 O ATOM 1004 CB LEU A 68 -2.461 -1.116 0.898 1.00 0.00 C ATOM 1005 CG LEU A 68 -3.041 -2.137 -0.082 1.00 0.00 C ATOM 1006 CD1 LEU A 68 -4.483 -1.793 -0.420 1.00 0.00 C ATOM 1007 CD2 LEU A 68 -2.196 -2.204 -1.345 1.00 0.00 C ATOM 0 H LEU A 68 -1.371 -0.285 3.178 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.127 -0.752 2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.557 -0.124 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.395 -1.314 1.009 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.025 -3.118 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.879 -2.530 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.081 -1.798 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.524 -0.803 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.624 -2.936 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.179 -1.225 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.179 -2.500 -1.087 1.00 0.00 H new ATOM 1019 N ILE A 69 -4.145 -2.813 3.630 1.00 0.00 N ATOM 1020 CA ILE A 69 -4.263 -4.123 4.259 1.00 0.00 C ATOM 1021 C ILE A 69 -4.972 -5.112 3.340 1.00 0.00 C ATOM 1022 O ILE A 69 -6.067 -4.841 2.847 1.00 0.00 O ATOM 1023 CB ILE A 69 -5.028 -4.040 5.593 1.00 0.00 C ATOM 1024 CG1 ILE A 69 -4.362 -3.025 6.526 1.00 0.00 C ATOM 1025 CG2 ILE A 69 -5.094 -5.409 6.252 1.00 0.00 C ATOM 1026 CD1 ILE A 69 -5.219 -2.643 7.713 1.00 0.00 C ATOM 0 H ILE A 69 -4.931 -2.188 3.806 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.249 -4.473 4.452 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.046 -3.706 5.391 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.420 -3.438 6.886 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.120 -2.126 5.959 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.638 -5.334 7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.608 -6.107 5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.083 -5.769 6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.684 -1.921 8.330 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.151 -2.200 7.361 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.440 -3.532 8.303 1.00 0.00 H new ATOM 1038 N ILE A 70 -4.341 -6.260 3.117 1.00 0.00 N ATOM 1039 CA ILE A 70 -4.913 -7.291 2.260 1.00 0.00 C ATOM 1040 C ILE A 70 -5.115 -8.594 3.027 1.00 0.00 C ATOM 1041 O ILE A 70 -4.167 -9.154 3.577 1.00 0.00 O ATOM 1042 CB ILE A 70 -4.021 -7.563 1.034 1.00 0.00 C ATOM 1043 CG1 ILE A 70 -3.748 -6.263 0.276 1.00 0.00 C ATOM 1044 CG2 ILE A 70 -4.674 -8.589 0.121 1.00 0.00 C ATOM 1045 CD1 ILE A 70 -2.668 -6.391 -0.775 1.00 0.00 C ATOM 0 H ILE A 70 -3.434 -6.499 3.518 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.879 -6.918 1.920 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.069 -7.967 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.670 -5.930 -0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.460 -5.490 0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.032 -8.770 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.821 -9.521 0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.639 -8.212 -0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.528 -5.431 -1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.734 -6.694 -0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.962 -7.140 -1.510 1.00 0.00 H new ATOM 1057 N GLU A 71 -6.355 -9.070 3.057 1.00 0.00 N ATOM 1058 CA GLU A 71 -6.681 -10.308 3.756 1.00 0.00 C ATOM 1059 C GLU A 71 -8.065 -10.811 3.355 1.00 0.00 C ATOM 1060 O GLU A 71 -9.066 -10.103 3.464 1.00 0.00 O ATOM 1061 CB GLU A 71 -6.622 -10.095 5.270 1.00 0.00 C ATOM 1062 CG GLU A 71 -6.375 -11.373 6.055 1.00 0.00 C ATOM 1063 CD GLU A 71 -7.649 -12.155 6.312 1.00 0.00 C ATOM 1064 OE1 GLU A 71 -8.036 -12.961 5.441 1.00 0.00 O ATOM 1065 OE2 GLU A 71 -8.258 -11.960 7.385 1.00 0.00 O ATOM 0 H GLU A 71 -7.150 -8.618 2.606 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.944 -11.060 3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.831 -9.380 5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.560 -9.650 5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.672 -12.001 5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.907 -11.125 7.008 1.00 0.00 H new ATOM 1072 N PRO A 72 -8.123 -12.064 2.879 1.00 0.00 N ATOM 1073 CA PRO A 72 -6.938 -12.916 2.744 1.00 0.00 C ATOM 1074 C PRO A 72 -6.001 -12.435 1.641 1.00 0.00 C ATOM 1075 O PRO A 72 -6.181 -11.350 1.089 1.00 0.00 O ATOM 1076 CB PRO A 72 -7.523 -14.285 2.391 1.00 0.00 C ATOM 1077 CG PRO A 72 -8.836 -13.983 1.755 1.00 0.00 C ATOM 1078 CD PRO A 72 -9.351 -12.745 2.436 1.00 0.00 C ATOM 0 HA PRO A 72 -6.332 -12.918 3.650 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.870 -14.831 1.711 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.647 -14.904 3.280 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.722 -13.820 0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.530 -14.814 1.879 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.932 -12.123 1.754 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.001 -12.989 3.276 1.00 0.00 H new ATOM 1086 N VAL A 73 -5.001 -13.251 1.323 1.00 0.00 N ATOM 1087 CA VAL A 73 -4.038 -12.910 0.283 1.00 0.00 C ATOM 1088 C VAL A 73 -4.001 -13.979 -0.804 1.00 0.00 C ATOM 1089 O VAL A 73 -3.973 -15.175 -0.514 1.00 0.00 O ATOM 1090 CB VAL A 73 -2.622 -12.737 0.865 1.00 0.00 C ATOM 1091 CG1 VAL A 73 -1.580 -12.780 -0.242 1.00 0.00 C ATOM 1092 CG2 VAL A 73 -2.525 -11.437 1.650 1.00 0.00 C ATOM 0 H VAL A 73 -4.837 -14.153 1.771 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.363 -11.965 -0.152 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.425 -13.563 1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.586 -12.656 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.635 -13.739 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.770 -11.976 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.518 -11.330 2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.742 -10.597 0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.245 -11.451 2.468 1.00 0.00 H new ATOM 1102 N THR A 74 -3.999 -13.539 -2.058 1.00 0.00 N ATOM 1103 CA THR A 74 -3.966 -14.457 -3.190 1.00 0.00 C ATOM 1104 C THR A 74 -2.742 -14.209 -4.064 1.00 0.00 C ATOM 1105 O THR A 74 -2.049 -13.204 -3.907 1.00 0.00 O ATOM 1106 CB THR A 74 -5.234 -14.329 -4.055 1.00 0.00 C ATOM 1107 OG1 THR A 74 -5.232 -13.074 -4.744 1.00 0.00 O ATOM 1108 CG2 THR A 74 -6.487 -14.441 -3.199 1.00 0.00 C ATOM 0 H THR A 74 -4.020 -12.552 -2.316 1.00 0.00 H new ATOM 0 HA THR A 74 -3.917 -15.465 -2.777 1.00 0.00 H new ATOM 0 HB THR A 74 -5.235 -15.142 -4.781 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.040 -13.001 -5.293 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.370 -14.348 -3.832 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.500 -15.409 -2.698 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.490 -13.647 -2.453 1.00 0.00 H new ATOM 1116 N SER A 75 -2.481 -15.131 -4.985 1.00 0.00 N ATOM 1117 CA SER A 75 -1.338 -15.013 -5.882 1.00 0.00 C ATOM 1118 C SER A 75 -1.452 -13.761 -6.747 1.00 0.00 C ATOM 1119 O SER A 75 -0.460 -13.278 -7.293 1.00 0.00 O ATOM 1120 CB SER A 75 -1.231 -16.253 -6.772 1.00 0.00 C ATOM 1121 OG SER A 75 0.097 -16.439 -7.231 1.00 0.00 O ATOM 0 H SER A 75 -3.046 -15.968 -5.129 1.00 0.00 H new ATOM 0 HA SER A 75 -0.437 -14.932 -5.273 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.553 -17.133 -6.215 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.903 -16.152 -7.624 1.00 0.00 H new ATOM 0 HG SER A 75 0.139 -17.239 -7.796 1.00 0.00 H new ATOM 1127 N ARG A 76 -2.669 -13.242 -6.866 1.00 0.00 N ATOM 1128 CA ARG A 76 -2.915 -12.047 -7.665 1.00 0.00 C ATOM 1129 C ARG A 76 -2.372 -10.804 -6.966 1.00 0.00 C ATOM 1130 O ARG A 76 -2.067 -9.801 -7.610 1.00 0.00 O ATOM 1131 CB ARG A 76 -4.413 -11.883 -7.929 1.00 0.00 C ATOM 1132 CG ARG A 76 -4.731 -10.923 -9.063 1.00 0.00 C ATOM 1133 CD ARG A 76 -4.414 -11.537 -10.418 1.00 0.00 C ATOM 1134 NE ARG A 76 -5.553 -12.267 -10.968 1.00 0.00 N ATOM 1135 CZ ARG A 76 -5.532 -12.882 -12.145 1.00 0.00 C ATOM 1136 NH1 ARG A 76 -4.437 -12.857 -12.891 1.00 0.00 N ATOM 1137 NH2 ARG A 76 -6.609 -13.526 -12.577 1.00 0.00 N ATOM 0 H ARG A 76 -3.500 -13.630 -6.420 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.396 -12.164 -8.616 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.841 -12.858 -8.159 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.897 -11.529 -7.019 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.785 -10.649 -9.024 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.158 -10.005 -8.935 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.118 -10.750 -11.112 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.564 -12.212 -10.320 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.411 -12.307 -10.418 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.607 -12.364 -12.562 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.424 -13.330 -13.794 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.453 -13.549 -12.005 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.593 -13.998 -13.481 1.00 0.00 H new ATOM 1151 N ASP A 77 -2.255 -10.879 -5.645 1.00 0.00 N ATOM 1152 CA ASP A 77 -1.749 -9.761 -4.858 1.00 0.00 C ATOM 1153 C ASP A 77 -0.248 -9.585 -5.066 1.00 0.00 C ATOM 1154 O ASP A 77 0.293 -8.498 -4.868 1.00 0.00 O ATOM 1155 CB ASP A 77 -2.048 -9.977 -3.373 1.00 0.00 C ATOM 1156 CG ASP A 77 -3.493 -9.683 -3.025 1.00 0.00 C ATOM 1157 OD1 ASP A 77 -4.005 -8.629 -3.457 1.00 0.00 O ATOM 1158 OD2 ASP A 77 -4.113 -10.507 -2.321 1.00 0.00 O ATOM 0 H ASP A 77 -2.504 -11.702 -5.097 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.253 -8.855 -5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.815 -11.007 -3.105 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.397 -9.337 -2.777 1.00 0.00 H new ATOM 1163 N ALA A 78 0.419 -10.662 -5.468 1.00 0.00 N ATOM 1164 CA ALA A 78 1.857 -10.627 -5.704 1.00 0.00 C ATOM 1165 C ALA A 78 2.192 -9.772 -6.922 1.00 0.00 C ATOM 1166 O ALA A 78 1.680 -10.004 -8.016 1.00 0.00 O ATOM 1167 CB ALA A 78 2.397 -12.038 -5.883 1.00 0.00 C ATOM 0 H ALA A 78 -0.014 -11.570 -5.637 1.00 0.00 H new ATOM 0 HA ALA A 78 2.333 -10.176 -4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.472 -11.997 -6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.198 -12.620 -4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.908 -12.509 -6.736 1.00 0.00 H new ATOM 1173 N GLY A 79 3.055 -8.780 -6.723 1.00 0.00 N ATOM 1174 CA GLY A 79 3.443 -7.905 -7.814 1.00 0.00 C ATOM 1175 C GLY A 79 3.957 -6.564 -7.327 1.00 0.00 C ATOM 1176 O GLY A 79 4.111 -6.351 -6.124 1.00 0.00 O ATOM 0 H GLY A 79 3.492 -8.567 -5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.215 -8.392 -8.409 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.587 -7.746 -8.470 1.00 0.00 H new ATOM 1180 N ILE A 80 4.224 -5.660 -8.263 1.00 0.00 N ATOM 1181 CA ILE A 80 4.724 -4.334 -7.922 1.00 0.00 C ATOM 1182 C ILE A 80 3.579 -3.339 -7.761 1.00 0.00 C ATOM 1183 O ILE A 80 2.717 -3.223 -8.632 1.00 0.00 O ATOM 1184 CB ILE A 80 5.700 -3.808 -8.991 1.00 0.00 C ATOM 1185 CG1 ILE A 80 7.027 -4.566 -8.918 1.00 0.00 C ATOM 1186 CG2 ILE A 80 5.926 -2.314 -8.813 1.00 0.00 C ATOM 1187 CD1 ILE A 80 6.870 -6.026 -8.559 1.00 0.00 C ATOM 0 H ILE A 80 4.103 -5.821 -9.263 1.00 0.00 H new ATOM 0 HA ILE A 80 5.254 -4.431 -6.974 1.00 0.00 H new ATOM 0 HB ILE A 80 5.262 -3.974 -9.975 1.00 0.00 H new ATOM 0 HG12 ILE A 80 7.533 -4.489 -9.880 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.670 -4.086 -8.180 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.618 -1.957 -9.576 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.976 -1.788 -8.910 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.346 -2.125 -7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.851 -6.500 -8.526 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.392 -6.111 -7.583 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.253 -6.521 -9.309 1.00 0.00 H new ATOM 1199 N TYR A 81 3.579 -2.622 -6.643 1.00 0.00 N ATOM 1200 CA TYR A 81 2.540 -1.636 -6.368 1.00 0.00 C ATOM 1201 C TYR A 81 3.045 -0.222 -6.637 1.00 0.00 C ATOM 1202 O TYR A 81 4.000 0.239 -6.011 1.00 0.00 O ATOM 1203 CB TYR A 81 2.068 -1.754 -4.917 1.00 0.00 C ATOM 1204 CG TYR A 81 1.264 -3.004 -4.642 1.00 0.00 C ATOM 1205 CD1 TYR A 81 1.892 -4.206 -4.340 1.00 0.00 C ATOM 1206 CD2 TYR A 81 -0.125 -2.983 -4.682 1.00 0.00 C ATOM 1207 CE1 TYR A 81 1.161 -5.350 -4.088 1.00 0.00 C ATOM 1208 CE2 TYR A 81 -0.864 -4.122 -4.430 1.00 0.00 C ATOM 1209 CZ TYR A 81 -0.217 -5.304 -4.134 1.00 0.00 C ATOM 1210 OH TYR A 81 -0.949 -6.441 -3.882 1.00 0.00 O ATOM 0 H TYR A 81 4.286 -2.705 -5.913 1.00 0.00 H new ATOM 0 HA TYR A 81 1.700 -1.835 -7.034 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.937 -1.739 -4.259 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.464 -0.881 -4.668 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.971 -4.246 -4.302 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.635 -2.060 -4.914 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.666 -6.276 -3.856 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.943 -4.088 -4.464 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.349 -7.215 -3.848 1.00 0.00 H new ATOM 1220 N THR A 82 2.396 0.462 -7.574 1.00 0.00 N ATOM 1221 CA THR A 82 2.778 1.824 -7.928 1.00 0.00 C ATOM 1222 C THR A 82 1.840 2.842 -7.291 1.00 0.00 C ATOM 1223 O THR A 82 0.618 2.697 -7.352 1.00 0.00 O ATOM 1224 CB THR A 82 2.778 2.028 -9.455 1.00 0.00 C ATOM 1225 OG1 THR A 82 3.716 1.136 -10.069 1.00 0.00 O ATOM 1226 CG2 THR A 82 3.131 3.465 -9.809 1.00 0.00 C ATOM 0 H THR A 82 1.604 0.095 -8.101 1.00 0.00 H new ATOM 0 HA THR A 82 3.788 1.978 -7.548 1.00 0.00 H new ATOM 0 HB THR A 82 1.776 1.814 -9.828 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.709 1.271 -11.040 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.125 3.585 -10.892 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.399 4.139 -9.365 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.123 3.702 -9.424 1.00 0.00 H new ATOM 1234 N CYS A 83 2.417 3.871 -6.681 1.00 0.00 N ATOM 1235 CA CYS A 83 1.631 4.914 -6.032 1.00 0.00 C ATOM 1236 C CYS A 83 2.147 6.298 -6.409 1.00 0.00 C ATOM 1237 O CYS A 83 3.350 6.495 -6.589 1.00 0.00 O ATOM 1238 CB CYS A 83 1.667 4.738 -4.513 1.00 0.00 C ATOM 1239 SG CYS A 83 0.805 6.038 -3.599 1.00 0.00 S ATOM 0 H CYS A 83 3.426 4.005 -6.622 1.00 0.00 H new ATOM 0 HA CYS A 83 0.601 4.825 -6.376 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.224 3.775 -4.259 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.706 4.707 -4.186 1.00 0.00 H new ATOM 0 HG CYS A 83 0.889 5.801 -2.324 1.00 0.00 H new ATOM 1245 N ILE A 84 1.232 7.254 -6.528 1.00 0.00 N ATOM 1246 CA ILE A 84 1.596 8.620 -6.884 1.00 0.00 C ATOM 1247 C ILE A 84 0.853 9.630 -6.017 1.00 0.00 C ATOM 1248 O ILE A 84 -0.376 9.703 -6.045 1.00 0.00 O ATOM 1249 CB ILE A 84 1.296 8.914 -8.366 1.00 0.00 C ATOM 1250 CG1 ILE A 84 2.084 7.960 -9.266 1.00 0.00 C ATOM 1251 CG2 ILE A 84 1.631 10.360 -8.697 1.00 0.00 C ATOM 1252 CD1 ILE A 84 1.362 6.660 -9.548 1.00 0.00 C ATOM 0 H ILE A 84 0.233 7.108 -6.383 1.00 0.00 H new ATOM 0 HA ILE A 84 2.668 8.716 -6.712 1.00 0.00 H new ATOM 0 HB ILE A 84 0.232 8.758 -8.545 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.299 8.459 -10.211 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.043 7.739 -8.797 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.414 10.552 -9.748 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.031 11.024 -8.075 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.689 10.541 -8.506 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.979 6.033 -10.192 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.171 6.139 -8.610 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.415 6.870 -10.046 1.00 0.00 H new ATOM 1264 N ALA A 85 1.606 10.410 -5.248 1.00 0.00 N ATOM 1265 CA ALA A 85 1.020 11.419 -4.376 1.00 0.00 C ATOM 1266 C ALA A 85 1.132 12.810 -4.992 1.00 0.00 C ATOM 1267 O ALA A 85 2.225 13.364 -5.105 1.00 0.00 O ATOM 1268 CB ALA A 85 1.690 11.390 -3.010 1.00 0.00 C ATOM 0 H ALA A 85 2.624 10.362 -5.212 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.038 11.188 -4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.242 12.149 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.554 10.407 -2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.755 11.593 -3.123 1.00 0.00 H new ATOM 1274 N THR A 86 -0.007 13.369 -5.391 1.00 0.00 N ATOM 1275 CA THR A 86 -0.036 14.693 -5.998 1.00 0.00 C ATOM 1276 C THR A 86 -0.717 15.703 -5.081 1.00 0.00 C ATOM 1277 O THR A 86 -1.910 15.595 -4.800 1.00 0.00 O ATOM 1278 CB THR A 86 -0.767 14.674 -7.353 1.00 0.00 C ATOM 1279 OG1 THR A 86 -0.463 13.464 -8.057 1.00 0.00 O ATOM 1280 CG2 THR A 86 -0.369 15.873 -8.200 1.00 0.00 C ATOM 0 H THR A 86 -0.921 12.925 -5.304 1.00 0.00 H new ATOM 0 HA THR A 86 1.001 14.991 -6.157 1.00 0.00 H new ATOM 0 HB THR A 86 -1.839 14.724 -7.163 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.933 13.459 -8.917 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.898 15.838 -9.152 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.629 16.792 -7.674 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.706 15.850 -8.381 1.00 0.00 H new ATOM 1288 N ASN A 87 0.049 16.685 -4.617 1.00 0.00 N ATOM 1289 CA ASN A 87 -0.481 17.715 -3.730 1.00 0.00 C ATOM 1290 C ASN A 87 -0.328 19.099 -4.353 1.00 0.00 C ATOM 1291 O ASN A 87 0.102 19.232 -5.499 1.00 0.00 O ATOM 1292 CB ASN A 87 0.233 17.670 -2.378 1.00 0.00 C ATOM 1293 CG ASN A 87 1.462 18.558 -2.343 1.00 0.00 C ATOM 1294 OD1 ASN A 87 2.044 18.871 -3.381 1.00 0.00 O ATOM 1295 ND2 ASN A 87 1.861 18.967 -1.145 1.00 0.00 N ATOM 0 H ASN A 87 1.039 16.789 -4.840 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.543 17.519 -3.579 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.458 17.980 -1.595 1.00 0.00 H new ATOM 0 HB3 ASN A 87 0.524 16.643 -2.158 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.682 19.566 -1.058 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.347 18.682 -0.311 1.00 0.00 H new ATOM 1302 N ARG A 88 -0.684 20.128 -3.590 1.00 0.00 N ATOM 1303 CA ARG A 88 -0.587 21.502 -4.067 1.00 0.00 C ATOM 1304 C ARG A 88 0.841 21.830 -4.493 1.00 0.00 C ATOM 1305 O ARG A 88 1.059 22.498 -5.503 1.00 0.00 O ATOM 1306 CB ARG A 88 -1.042 22.475 -2.978 1.00 0.00 C ATOM 1307 CG ARG A 88 -1.055 23.928 -3.425 1.00 0.00 C ATOM 1308 CD ARG A 88 -1.867 24.796 -2.477 1.00 0.00 C ATOM 1309 NE ARG A 88 -3.286 24.453 -2.501 1.00 0.00 N ATOM 1310 CZ ARG A 88 -4.125 24.725 -1.507 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -3.689 25.340 -0.417 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -5.403 24.381 -1.604 1.00 0.00 N ATOM 0 H ARG A 88 -1.042 20.036 -2.639 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.239 21.606 -4.934 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.043 22.196 -2.649 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.383 22.375 -2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.033 24.303 -3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.472 23.997 -4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.484 24.682 -1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.743 25.844 -2.749 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.653 23.979 -3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.707 25.606 -0.340 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.335 25.548 0.344 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.742 23.908 -2.442 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.047 24.590 -0.841 1.00 0.00 H new ATOM 1326 N ALA A 89 1.809 21.356 -3.715 1.00 0.00 N ATOM 1327 CA ALA A 89 3.215 21.598 -4.013 1.00 0.00 C ATOM 1328 C ALA A 89 3.602 20.996 -5.360 1.00 0.00 C ATOM 1329 O ALA A 89 3.935 21.716 -6.300 1.00 0.00 O ATOM 1330 CB ALA A 89 4.093 21.032 -2.907 1.00 0.00 C ATOM 0 H ALA A 89 1.645 20.802 -2.874 1.00 0.00 H new ATOM 0 HA ALA A 89 3.370 22.676 -4.069 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.141 21.220 -3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.842 21.512 -1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.926 19.958 -2.824 1.00 0.00 H new ATOM 1336 N GLY A 90 3.558 19.670 -5.445 1.00 0.00 N ATOM 1337 CA GLY A 90 3.908 18.994 -6.681 1.00 0.00 C ATOM 1338 C GLY A 90 3.324 17.598 -6.763 1.00 0.00 C ATOM 1339 O GLY A 90 2.119 17.411 -6.593 1.00 0.00 O ATOM 0 H GLY A 90 3.286 19.052 -4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.554 19.583 -7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.993 18.936 -6.765 1.00 0.00 H new ATOM 1343 N GLN A 91 4.179 16.615 -7.025 1.00 0.00 N ATOM 1344 CA GLN A 91 3.739 15.228 -7.132 1.00 0.00 C ATOM 1345 C GLN A 91 4.918 14.271 -6.987 1.00 0.00 C ATOM 1346 O GLN A 91 6.029 14.570 -7.421 1.00 0.00 O ATOM 1347 CB GLN A 91 3.039 14.995 -8.472 1.00 0.00 C ATOM 1348 CG GLN A 91 2.729 13.533 -8.750 1.00 0.00 C ATOM 1349 CD GLN A 91 2.679 13.219 -10.233 1.00 0.00 C ATOM 1350 OE1 GLN A 91 3.707 13.199 -10.910 1.00 0.00 O ATOM 1351 NE2 GLN A 91 1.479 12.971 -10.745 1.00 0.00 N ATOM 0 H GLN A 91 5.180 16.752 -7.167 1.00 0.00 H new ATOM 0 HA GLN A 91 3.034 15.033 -6.324 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.110 15.565 -8.491 1.00 0.00 H new ATOM 0 HB3 GLN A 91 3.668 15.383 -9.273 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.486 12.908 -8.275 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.772 13.275 -8.295 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.654 12.998 -10.146 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.383 12.753 -11.737 1.00 0.00 H new ATOM 1360 N ASN A 92 4.666 13.119 -6.374 1.00 0.00 N ATOM 1361 CA ASN A 92 5.706 12.118 -6.171 1.00 0.00 C ATOM 1362 C ASN A 92 5.153 10.710 -6.371 1.00 0.00 C ATOM 1363 O ASN A 92 3.943 10.518 -6.483 1.00 0.00 O ATOM 1364 CB ASN A 92 6.303 12.249 -4.768 1.00 0.00 C ATOM 1365 CG ASN A 92 7.725 11.729 -4.693 1.00 0.00 C ATOM 1366 OD1 ASN A 92 8.600 12.172 -5.438 1.00 0.00 O ATOM 1367 ND2 ASN A 92 7.963 10.784 -3.791 1.00 0.00 N ATOM 0 H ASN A 92 3.750 12.856 -6.009 1.00 0.00 H new ATOM 0 HA ASN A 92 6.489 12.290 -6.909 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.286 13.296 -4.465 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.681 11.702 -4.059 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.901 10.396 -3.695 1.00 0.00 H new ATOM 0 HD22 ASN A 92 7.208 10.447 -3.194 1.00 0.00 H new ATOM 1374 N SER A 93 6.049 9.729 -6.415 1.00 0.00 N ATOM 1375 CA SER A 93 5.652 8.339 -6.604 1.00 0.00 C ATOM 1376 C SER A 93 6.686 7.391 -6.005 1.00 0.00 C ATOM 1377 O SER A 93 7.831 7.776 -5.763 1.00 0.00 O ATOM 1378 CB SER A 93 5.468 8.037 -8.093 1.00 0.00 C ATOM 1379 OG SER A 93 4.836 9.117 -8.758 1.00 0.00 O ATOM 0 H SER A 93 7.055 9.871 -6.322 1.00 0.00 H new ATOM 0 HA SER A 93 4.704 8.185 -6.089 1.00 0.00 H new ATOM 0 HB2 SER A 93 6.438 7.842 -8.550 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.871 7.133 -8.213 1.00 0.00 H new ATOM 0 HG SER A 93 4.731 8.900 -9.708 1.00 0.00 H new ATOM 1385 N PHE A 94 6.276 6.150 -5.769 1.00 0.00 N ATOM 1386 CA PHE A 94 7.166 5.146 -5.197 1.00 0.00 C ATOM 1387 C PHE A 94 6.685 3.738 -5.534 1.00 0.00 C ATOM 1388 O PHE A 94 5.501 3.426 -5.404 1.00 0.00 O ATOM 1389 CB PHE A 94 7.254 5.317 -3.679 1.00 0.00 C ATOM 1390 CG PHE A 94 6.217 4.533 -2.926 1.00 0.00 C ATOM 1391 CD1 PHE A 94 4.944 5.046 -2.737 1.00 0.00 C ATOM 1392 CD2 PHE A 94 6.516 3.283 -2.408 1.00 0.00 C ATOM 1393 CE1 PHE A 94 3.988 4.326 -2.045 1.00 0.00 C ATOM 1394 CE2 PHE A 94 5.564 2.559 -1.716 1.00 0.00 C ATOM 1395 CZ PHE A 94 4.298 3.082 -1.533 1.00 0.00 C ATOM 0 H PHE A 94 5.333 5.815 -5.965 1.00 0.00 H new ATOM 0 HA PHE A 94 8.157 5.286 -5.630 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.245 5.010 -3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.148 6.374 -3.434 1.00 0.00 H new ATOM 0 HD1 PHE A 94 4.696 6.019 -3.135 1.00 0.00 H new ATOM 0 HD2 PHE A 94 7.504 2.870 -2.547 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.999 4.737 -1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.809 1.585 -1.318 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.553 2.519 -0.991 1.00 0.00 H new ATOM 1405 N SER A 95 7.613 2.891 -5.970 1.00 0.00 N ATOM 1406 CA SER A 95 7.284 1.517 -6.331 1.00 0.00 C ATOM 1407 C SER A 95 7.929 0.531 -5.361 1.00 0.00 C ATOM 1408 O SER A 95 8.983 0.807 -4.786 1.00 0.00 O ATOM 1409 CB SER A 95 7.744 1.218 -7.759 1.00 0.00 C ATOM 1410 OG SER A 95 7.033 2.006 -8.698 1.00 0.00 O ATOM 0 H SER A 95 8.598 3.132 -6.082 1.00 0.00 H new ATOM 0 HA SER A 95 6.202 1.402 -6.274 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.812 1.414 -7.849 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.595 0.161 -7.979 1.00 0.00 H new ATOM 0 HG SER A 95 7.346 1.798 -9.603 1.00 0.00 H new ATOM 1416 N LEU A 96 7.289 -0.619 -5.183 1.00 0.00 N ATOM 1417 CA LEU A 96 7.798 -1.647 -4.282 1.00 0.00 C ATOM 1418 C LEU A 96 7.449 -3.041 -4.794 1.00 0.00 C ATOM 1419 O LEU A 96 6.504 -3.210 -5.564 1.00 0.00 O ATOM 1420 CB LEU A 96 7.229 -1.450 -2.876 1.00 0.00 C ATOM 1421 CG LEU A 96 5.866 -2.090 -2.608 1.00 0.00 C ATOM 1422 CD1 LEU A 96 6.036 -3.507 -2.083 1.00 0.00 C ATOM 1423 CD2 LEU A 96 5.065 -1.248 -1.626 1.00 0.00 C ATOM 0 H LEU A 96 6.416 -0.863 -5.651 1.00 0.00 H new ATOM 0 HA LEU A 96 8.883 -1.555 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.944 -1.850 -2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.150 -0.380 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 96 5.317 -2.136 -3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.056 -3.947 -1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.569 -4.107 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.605 -3.485 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.098 -1.719 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.610 -1.169 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.912 -0.252 -2.041 1.00 0.00 H new ATOM 1435 N GLU A 97 8.216 -4.035 -4.359 1.00 0.00 N ATOM 1436 CA GLU A 97 7.986 -5.415 -4.773 1.00 0.00 C ATOM 1437 C GLU A 97 7.340 -6.219 -3.648 1.00 0.00 C ATOM 1438 O GLU A 97 7.580 -5.961 -2.468 1.00 0.00 O ATOM 1439 CB GLU A 97 9.302 -6.071 -5.193 1.00 0.00 C ATOM 1440 CG GLU A 97 9.166 -7.546 -5.531 1.00 0.00 C ATOM 1441 CD GLU A 97 10.434 -8.128 -6.125 1.00 0.00 C ATOM 1442 OE1 GLU A 97 11.530 -7.801 -5.623 1.00 0.00 O ATOM 1443 OE2 GLU A 97 10.331 -8.912 -7.092 1.00 0.00 O ATOM 0 H GLU A 97 9.002 -3.911 -3.720 1.00 0.00 H new ATOM 0 HA GLU A 97 7.307 -5.404 -5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.701 -5.544 -6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.028 -5.957 -4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.905 -8.099 -4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.345 -7.679 -6.235 1.00 0.00 H new ATOM 1450 N LEU A 98 6.520 -7.195 -4.023 1.00 0.00 N ATOM 1451 CA LEU A 98 5.838 -8.038 -3.047 1.00 0.00 C ATOM 1452 C LEU A 98 5.769 -9.483 -3.530 1.00 0.00 C ATOM 1453 O LEU A 98 5.153 -9.777 -4.555 1.00 0.00 O ATOM 1454 CB LEU A 98 4.428 -7.508 -2.783 1.00 0.00 C ATOM 1455 CG LEU A 98 3.490 -8.446 -2.021 1.00 0.00 C ATOM 1456 CD1 LEU A 98 4.041 -8.741 -0.635 1.00 0.00 C ATOM 1457 CD2 LEU A 98 2.096 -7.844 -1.926 1.00 0.00 C ATOM 0 H LEU A 98 6.311 -7.422 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 98 6.409 -8.012 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.511 -6.576 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.967 -7.265 -3.741 1.00 0.00 H new ATOM 0 HG LEU A 98 3.422 -9.385 -2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.361 -9.410 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.018 -9.215 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.140 -7.810 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.442 -8.525 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.147 -6.890 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.699 -7.685 -2.929 1.00 0.00 H new ATOM 1469 N VAL A 99 6.402 -10.382 -2.784 1.00 0.00 N ATOM 1470 CA VAL A 99 6.410 -11.798 -3.134 1.00 0.00 C ATOM 1471 C VAL A 99 5.354 -12.564 -2.346 1.00 0.00 C ATOM 1472 O VAL A 99 5.093 -12.263 -1.181 1.00 0.00 O ATOM 1473 CB VAL A 99 7.789 -12.432 -2.875 1.00 0.00 C ATOM 1474 CG1 VAL A 99 7.820 -13.867 -3.379 1.00 0.00 C ATOM 1475 CG2 VAL A 99 8.887 -11.606 -3.528 1.00 0.00 C ATOM 0 H VAL A 99 6.916 -10.155 -1.933 1.00 0.00 H new ATOM 0 HA VAL A 99 6.183 -11.863 -4.198 1.00 0.00 H new ATOM 0 HB VAL A 99 7.967 -12.445 -1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.802 -14.299 -3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.060 -14.451 -2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.620 -13.881 -4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.855 -12.069 -3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 99 8.716 -11.559 -4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.878 -10.597 -3.115 1.00 0.00 H new ATOM 1485 N VAL A 100 4.749 -13.558 -2.989 1.00 0.00 N ATOM 1486 CA VAL A 100 3.722 -14.370 -2.348 1.00 0.00 C ATOM 1487 C VAL A 100 3.920 -15.850 -2.655 1.00 0.00 C ATOM 1488 O VAL A 100 3.855 -16.269 -3.810 1.00 0.00 O ATOM 1489 CB VAL A 100 2.310 -13.948 -2.798 1.00 0.00 C ATOM 1490 CG1 VAL A 100 1.250 -14.724 -2.030 1.00 0.00 C ATOM 1491 CG2 VAL A 100 2.120 -12.449 -2.619 1.00 0.00 C ATOM 0 H VAL A 100 4.953 -13.820 -3.953 1.00 0.00 H new ATOM 0 HA VAL A 100 3.816 -14.209 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 100 2.200 -14.181 -3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.259 -14.412 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.375 -15.791 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.355 -14.525 -0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.117 -12.168 -2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.249 -12.189 -1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.857 -11.915 -3.218 1.00 0.00 H new ATOM 1501 N ALA A 101 4.162 -16.638 -1.612 1.00 0.00 N ATOM 1502 CA ALA A 101 4.367 -18.072 -1.770 1.00 0.00 C ATOM 1503 C ALA A 101 3.052 -18.833 -1.638 1.00 0.00 C ATOM 1504 O ALA A 101 2.222 -18.514 -0.787 1.00 0.00 O ATOM 1505 CB ALA A 101 5.375 -18.577 -0.749 1.00 0.00 C ATOM 0 H ALA A 101 4.221 -16.307 -0.649 1.00 0.00 H new ATOM 0 HA ALA A 101 4.760 -18.249 -2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.518 -19.650 -0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.326 -18.064 -0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.004 -18.380 0.257 1.00 0.00 H new ATOM 1511 N ALA A 102 2.868 -19.839 -2.487 1.00 0.00 N ATOM 1512 CA ALA A 102 1.654 -20.646 -2.463 1.00 0.00 C ATOM 1513 C ALA A 102 1.541 -21.430 -1.161 1.00 0.00 C ATOM 1514 O ALA A 102 2.474 -21.458 -0.357 1.00 0.00 O ATOM 1515 CB ALA A 102 1.626 -21.591 -3.655 1.00 0.00 C ATOM 0 H ALA A 102 3.544 -20.114 -3.200 1.00 0.00 H new ATOM 0 HA ALA A 102 0.799 -19.973 -2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.714 -22.188 -3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.651 -21.013 -4.579 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.493 -22.251 -3.617 1.00 0.00 H new ATOM 1521 N LYS A 103 0.392 -22.066 -0.956 1.00 0.00 N ATOM 1522 CA LYS A 103 0.156 -22.852 0.249 1.00 0.00 C ATOM 1523 C LYS A 103 0.513 -24.317 0.022 1.00 0.00 C ATOM 1524 O LYS A 103 0.714 -24.747 -1.113 1.00 0.00 O ATOM 1525 CB LYS A 103 -1.307 -22.733 0.682 1.00 0.00 C ATOM 1526 CG LYS A 103 -2.284 -23.351 -0.303 1.00 0.00 C ATOM 1527 CD LYS A 103 -3.546 -23.835 0.392 1.00 0.00 C ATOM 1528 CE LYS A 103 -4.321 -22.680 1.008 1.00 0.00 C ATOM 1529 NZ LYS A 103 -5.368 -23.156 1.953 1.00 0.00 N ATOM 0 H LYS A 103 -0.391 -22.052 -1.610 1.00 0.00 H new ATOM 0 HA LYS A 103 0.795 -22.459 1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.430 -23.213 1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.554 -21.680 0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.546 -22.618 -1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.806 -24.186 -0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.179 -24.358 -0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -3.282 -24.553 1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -3.631 -22.019 1.533 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.786 -22.092 0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.874 -22.339 2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.041 -23.766 1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.922 -23.696 2.722 1.00 0.00 H new ATOM 1543 N GLU A 104 0.588 -25.079 1.109 1.00 0.00 N ATOM 1544 CA GLU A 104 0.919 -26.496 1.026 1.00 0.00 C ATOM 1545 C GLU A 104 0.241 -27.144 -0.178 1.00 0.00 C ATOM 1546 O GLU A 104 0.883 -27.840 -0.965 1.00 0.00 O ATOM 1547 CB GLU A 104 0.501 -27.217 2.310 1.00 0.00 C ATOM 1548 CG GLU A 104 -0.977 -27.079 2.631 1.00 0.00 C ATOM 1549 CD GLU A 104 -1.347 -27.710 3.959 1.00 0.00 C ATOM 1550 OE1 GLU A 104 -0.605 -27.504 4.942 1.00 0.00 O ATOM 1551 OE2 GLU A 104 -2.379 -28.411 4.015 1.00 0.00 O ATOM 0 H GLU A 104 0.424 -24.739 2.056 1.00 0.00 H new ATOM 0 HA GLU A 104 1.999 -26.584 0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.747 -28.275 2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.084 -26.824 3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.244 -26.022 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.562 -27.543 1.837 1.00 0.00 H new ATOM 1558 N SER A 105 -1.060 -26.911 -0.313 1.00 0.00 N ATOM 1559 CA SER A 105 -1.827 -27.475 -1.418 1.00 0.00 C ATOM 1560 C SER A 105 -3.174 -26.773 -1.558 1.00 0.00 C ATOM 1561 O SER A 105 -3.960 -26.718 -0.613 1.00 0.00 O ATOM 1562 CB SER A 105 -2.041 -28.975 -1.205 1.00 0.00 C ATOM 1563 OG SER A 105 -2.858 -29.218 -0.073 1.00 0.00 O ATOM 0 H SER A 105 -1.605 -26.336 0.329 1.00 0.00 H new ATOM 0 HA SER A 105 -1.260 -27.323 -2.336 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.504 -29.409 -2.091 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.078 -29.468 -1.075 1.00 0.00 H new ATOM 0 HG SER A 105 -3.509 -28.492 0.023 1.00 0.00 H new ATOM 1569 N GLY A 106 -3.434 -26.236 -2.746 1.00 0.00 N ATOM 1570 CA GLY A 106 -4.686 -25.544 -2.990 1.00 0.00 C ATOM 1571 C GLY A 106 -5.893 -26.379 -2.611 1.00 0.00 C ATOM 1572 O GLY A 106 -5.858 -27.609 -2.641 1.00 0.00 O ATOM 0 H GLY A 106 -2.800 -26.268 -3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -4.700 -24.613 -2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -4.750 -25.276 -4.045 1.00 0.00 H new ATOM 1576 N PRO A 107 -6.993 -25.704 -2.243 1.00 0.00 N ATOM 1577 CA PRO A 107 -8.236 -26.372 -1.849 1.00 0.00 C ATOM 1578 C PRO A 107 -8.928 -27.051 -3.026 1.00 0.00 C ATOM 1579 O PRO A 107 -9.553 -28.100 -2.870 1.00 0.00 O ATOM 1580 CB PRO A 107 -9.098 -25.227 -1.310 1.00 0.00 C ATOM 1581 CG PRO A 107 -8.580 -24.009 -1.993 1.00 0.00 C ATOM 1582 CD PRO A 107 -7.106 -24.237 -2.185 1.00 0.00 C ATOM 0 HA PRO A 107 -8.059 -27.168 -1.126 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -10.153 -25.387 -1.532 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -9.010 -25.141 -0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.079 -23.856 -2.950 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -8.762 -23.118 -1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -6.743 -23.769 -3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.524 -23.821 -1.362 1.00 0.00 H new ATOM 1590 N SER A 108 -8.812 -26.446 -4.204 1.00 0.00 N ATOM 1591 CA SER A 108 -9.430 -26.992 -5.407 1.00 0.00 C ATOM 1592 C SER A 108 -9.415 -28.517 -5.382 1.00 0.00 C ATOM 1593 O SER A 108 -8.370 -29.141 -5.567 1.00 0.00 O ATOM 1594 CB SER A 108 -8.703 -26.483 -6.654 1.00 0.00 C ATOM 1595 OG SER A 108 -9.387 -26.866 -7.834 1.00 0.00 O ATOM 0 H SER A 108 -8.296 -25.578 -4.351 1.00 0.00 H new ATOM 0 HA SER A 108 -10.467 -26.658 -5.437 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.621 -25.397 -6.613 1.00 0.00 H new ATOM 0 HB3 SER A 108 -7.687 -26.878 -6.674 1.00 0.00 H new ATOM 0 HG SER A 108 -8.904 -26.528 -8.617 1.00 0.00 H new ATOM 1601 N SER A 109 -10.581 -29.110 -5.151 1.00 0.00 N ATOM 1602 CA SER A 109 -10.703 -30.563 -5.098 1.00 0.00 C ATOM 1603 C SER A 109 -11.568 -31.078 -6.244 1.00 0.00 C ATOM 1604 O SER A 109 -12.468 -30.386 -6.717 1.00 0.00 O ATOM 1605 CB SER A 109 -11.301 -30.996 -3.758 1.00 0.00 C ATOM 1606 OG SER A 109 -11.329 -32.409 -3.646 1.00 0.00 O ATOM 0 H SER A 109 -11.455 -28.608 -4.997 1.00 0.00 H new ATOM 0 HA SER A 109 -9.706 -30.991 -5.199 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.715 -30.575 -2.941 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.312 -30.600 -3.662 1.00 0.00 H new ATOM 0 HG SER A 109 -11.714 -32.661 -2.781 1.00 0.00 H new ATOM 1612 N GLY A 110 -11.287 -32.300 -6.687 1.00 0.00 N ATOM 1613 CA GLY A 110 -12.047 -32.888 -7.774 1.00 0.00 C ATOM 1614 C GLY A 110 -12.115 -31.985 -8.989 1.00 0.00 C ATOM 1615 O GLY A 110 -13.169 -31.846 -9.609 1.00 0.00 O ATOM 0 H GLY A 110 -10.546 -32.893 -6.312 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.595 -33.839 -8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.058 -33.106 -7.430 1.00 0.00 H new TER 1619 GLY A 110