USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 953 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 113 ASN : amide:sc= 0.374 K(o=1.2,f=-6.3!) USER MOD Set 1.2: A 116 LYS NZ :NH3+ -145:sc= 0.781 (180deg=0) USER MOD Set 2.1: A 101 ASN : amide:sc= 1.08 K(o=1.1,f=-11!) USER MOD Set 2.2: A 104 ASN : amide:sc= 0.0077 K(o=1.1,f=-1.7) USER MOD Set 3.1: A 49 SER OG : rot -79:sc= 0.101 USER MOD Set 3.2: A 53 THR OG1 : rot 22:sc= 0.644 USER MOD Set 4.1: A 18 HIS :FLIP no HD1:sc= -1.74! C(o=-2.7!,f=-1!) USER MOD Set 4.2: A 81 TYR OH : rot -100:sc= 0.714 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0118 (180deg=0) USER MOD Single : A 6 GLN :FLIP amide:sc= -0.039 F(o=-1.4!,f=-0.039) USER MOD Single : A 14 CYS SG : rot -120:sc= -2.93! USER MOD Single : A 22 MET CE :methyl -141:sc= -0.886 (180deg=-1.79) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0.875 (180deg=0.852) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 78:sc= 1.23 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -173:sc= -0.0704 (180deg=-0.186) USER MOD Single : A 38 TYR OH : rot -106:sc= 1.27 USER MOD Single : A 39 THR OG1 : rot 2:sc= 0.823 USER MOD Single : A 40 SER OG : rot -150:sc= -1.98! USER MOD Single : A 43 ASN : amide:sc= 0.106 X(o=0.11,f=-0.17) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.338 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 153:sc= 1.21 (180deg=1.04) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.0222 F(o=-1.3!,f=-0.022) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0443 USER MOD Single : A 73 ASN : amide:sc= -0.299 K(o=-0.3,f=-1.7!) USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 1.18 (180deg=1.15) USER MOD Single : A 76 CYS SG : rot -106:sc= -8.96! USER MOD Single : A 80 HIS : no HE2:sc= 0.852 K(o=0.85,f=-5.2!) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.0101 F(o=-0.81,f=-0.01) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0.0402 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 83:sc= 1.18 USER MOD Single : A 100 TYR OH : rot -142:sc= 1.19 USER MOD Single : A 107 MET CE :methyl -165:sc= -0.035 (180deg=-0.336) USER MOD Single : A 108 LYS NZ :NH3+ -150:sc= 1.19 (180deg=0.982) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -128:sc= 1.06 (180deg=-0.73) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.164 17.414 -9.692 1.00 0.00 N ATOM 2 CA MET A 1 -11.583 17.157 -8.356 1.00 0.00 C ATOM 3 C MET A 1 -12.289 15.984 -7.688 1.00 0.00 C ATOM 4 O MET A 1 -13.512 15.870 -7.760 1.00 0.00 O ATOM 5 CB MET A 1 -11.710 18.403 -7.480 1.00 0.00 C ATOM 6 CG MET A 1 -10.659 19.465 -7.755 1.00 0.00 C ATOM 7 SD MET A 1 -9.006 18.944 -7.258 1.00 0.00 S ATOM 8 CE MET A 1 -8.162 20.522 -7.235 1.00 0.00 C ATOM 0 H1 MET A 1 -12.220 18.440 -9.855 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.563 16.980 -10.421 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.118 17.003 -9.741 1.00 0.00 H new ATOM 0 HA MET A 1 -10.528 16.911 -8.478 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.698 18.838 -7.628 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.646 18.106 -6.433 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.657 19.703 -8.819 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.923 20.380 -7.224 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.122 20.374 -6.945 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.202 20.970 -8.228 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.648 21.184 -6.518 1.00 0.00 H new ATOM 18 N VAL A 2 -11.511 15.109 -7.055 1.00 0.00 N ATOM 19 CA VAL A 2 -12.053 13.942 -6.367 1.00 0.00 C ATOM 20 C VAL A 2 -11.177 13.549 -5.187 1.00 0.00 C ATOM 21 O VAL A 2 -9.951 13.495 -5.311 1.00 0.00 O ATOM 22 CB VAL A 2 -12.171 12.713 -7.288 1.00 0.00 C ATOM 23 CG1 VAL A 2 -13.489 12.723 -8.040 1.00 0.00 C ATOM 24 CG2 VAL A 2 -11.002 12.643 -8.259 1.00 0.00 C ATOM 0 H VAL A 2 -10.495 15.188 -7.005 1.00 0.00 H new ATOM 0 HA VAL A 2 -13.048 14.235 -6.031 1.00 0.00 H new ATOM 0 HB VAL A 2 -12.143 11.823 -6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -13.548 11.845 -8.683 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.314 12.707 -7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -13.553 13.624 -8.650 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.111 11.766 -8.897 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.988 13.541 -8.876 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.069 12.572 -7.700 1.00 0.00 H new ATOM 34 N ASP A 3 -11.821 13.306 -4.048 1.00 0.00 N ATOM 35 CA ASP A 3 -11.145 12.881 -2.816 1.00 0.00 C ATOM 36 C ASP A 3 -9.973 13.803 -2.472 1.00 0.00 C ATOM 37 O ASP A 3 -8.930 13.366 -1.986 1.00 0.00 O ATOM 38 CB ASP A 3 -10.676 11.424 -2.937 1.00 0.00 C ATOM 39 CG ASP A 3 -11.818 10.432 -2.777 1.00 0.00 C ATOM 40 OD1 ASP A 3 -11.916 9.800 -1.706 1.00 0.00 O ATOM 41 OD2 ASP A 3 -12.629 10.282 -3.721 1.00 0.00 O ATOM 0 H ASP A 3 -12.832 13.398 -3.949 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.864 12.948 -2.000 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.204 11.277 -3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.917 11.225 -2.180 1.00 0.00 H new ATOM 46 N LEU A 4 -10.178 15.086 -2.706 1.00 0.00 N ATOM 47 CA LEU A 4 -9.163 16.107 -2.440 1.00 0.00 C ATOM 48 C LEU A 4 -9.140 16.512 -0.964 1.00 0.00 C ATOM 49 O LEU A 4 -8.423 17.435 -0.587 1.00 0.00 O ATOM 50 CB LEU A 4 -9.406 17.341 -3.315 1.00 0.00 C ATOM 51 CG LEU A 4 -10.609 18.195 -2.916 1.00 0.00 C ATOM 52 CD1 LEU A 4 -10.166 19.575 -2.456 1.00 0.00 C ATOM 53 CD2 LEU A 4 -11.576 18.314 -4.074 1.00 0.00 C ATOM 0 H LEU A 4 -11.049 15.457 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.193 15.675 -2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.513 17.966 -3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.538 17.015 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.114 17.704 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.040 20.164 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.505 19.477 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.635 20.075 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.428 18.925 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.074 18.781 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.924 17.322 -4.361 1.00 0.00 H new ATOM 65 N GLU A 5 -9.943 15.824 -0.149 1.00 0.00 N ATOM 66 CA GLU A 5 -10.074 16.098 1.294 1.00 0.00 C ATOM 67 C GLU A 5 -8.731 16.273 2.037 1.00 0.00 C ATOM 68 O GLU A 5 -8.712 16.783 3.160 1.00 0.00 O ATOM 69 CB GLU A 5 -10.902 14.993 1.948 1.00 0.00 C ATOM 70 CG GLU A 5 -12.368 15.029 1.551 1.00 0.00 C ATOM 71 CD GLU A 5 -12.956 16.421 1.662 1.00 0.00 C ATOM 72 OE1 GLU A 5 -13.013 16.961 2.787 1.00 0.00 O ATOM 73 OE2 GLU A 5 -13.349 16.988 0.622 1.00 0.00 O ATOM 0 H GLU A 5 -10.528 15.053 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.578 17.061 1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.482 14.024 1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.823 15.082 3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.474 14.672 0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.932 14.346 2.187 1.00 0.00 H new ATOM 80 N GLN A 6 -7.636 15.824 1.424 1.00 0.00 N ATOM 81 CA GLN A 6 -6.279 15.968 1.982 1.00 0.00 C ATOM 82 C GLN A 6 -6.012 15.037 3.165 1.00 0.00 C ATOM 83 O GLN A 6 -4.967 15.121 3.804 1.00 0.00 O ATOM 84 CB GLN A 6 -5.997 17.428 2.372 1.00 0.00 C ATOM 85 CG GLN A 6 -4.513 17.764 2.410 1.00 0.00 C ATOM 86 CD GLN A 6 -4.218 19.128 3.006 1.00 0.00 C ATOM 87 OE1 GLN A 6 -5.058 19.570 3.929 1.00 0.00 O flip ATOM 88 NE2 GLN A 6 -3.238 19.773 2.642 1.00 0.00 N flip ATOM 0 H GLN A 6 -7.659 15.347 0.523 1.00 0.00 H new ATOM 0 HA GLN A 6 -5.592 15.671 1.189 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -6.494 18.089 1.662 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -6.433 17.626 3.351 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -3.991 17.002 2.989 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -4.113 17.724 1.397 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.616 19.395 1.927 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.047 20.686 3.054 1.00 0.00 H new ATOM 97 N GLU A 7 -6.933 14.126 3.438 1.00 0.00 N ATOM 98 CA GLU A 7 -6.753 13.170 4.530 1.00 0.00 C ATOM 99 C GLU A 7 -5.917 11.999 4.039 1.00 0.00 C ATOM 100 O GLU A 7 -5.688 11.027 4.756 1.00 0.00 O ATOM 101 CB GLU A 7 -8.101 12.689 5.054 1.00 0.00 C ATOM 102 CG GLU A 7 -9.257 13.141 4.192 1.00 0.00 C ATOM 103 CD GLU A 7 -10.494 13.474 5.003 1.00 0.00 C ATOM 104 OE1 GLU A 7 -11.309 12.569 5.265 1.00 0.00 O ATOM 105 OE2 GLU A 7 -10.650 14.653 5.383 1.00 0.00 O ATOM 0 H GLU A 7 -7.809 14.025 2.925 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.234 13.660 5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.098 11.600 5.108 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.244 13.058 6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.956 14.018 3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.498 12.357 3.474 1.00 0.00 H new ATOM 112 N PHE A 8 -5.422 12.158 2.822 1.00 0.00 N ATOM 113 CA PHE A 8 -4.611 11.178 2.149 1.00 0.00 C ATOM 114 C PHE A 8 -3.325 11.888 1.828 1.00 0.00 C ATOM 115 O PHE A 8 -3.110 12.326 0.698 1.00 0.00 O ATOM 116 CB PHE A 8 -5.250 10.693 0.832 1.00 0.00 C ATOM 117 CG PHE A 8 -6.759 10.669 0.790 1.00 0.00 C ATOM 118 CD1 PHE A 8 -7.492 11.848 0.779 1.00 0.00 C ATOM 119 CD2 PHE A 8 -7.443 9.463 0.726 1.00 0.00 C ATOM 120 CE1 PHE A 8 -8.870 11.824 0.709 1.00 0.00 C ATOM 121 CE2 PHE A 8 -8.822 9.438 0.659 1.00 0.00 C ATOM 122 CZ PHE A 8 -9.536 10.620 0.650 1.00 0.00 C ATOM 0 H PHE A 8 -5.583 12.998 2.267 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.482 10.298 2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.895 11.333 0.024 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.886 9.687 0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.977 12.796 0.826 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.891 8.535 0.729 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.426 12.750 0.700 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.343 8.493 0.614 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.615 10.600 0.597 1.00 0.00 H new ATOM 132 N ALA A 9 -2.495 12.067 2.823 1.00 0.00 N ATOM 133 CA ALA A 9 -1.287 12.785 2.624 1.00 0.00 C ATOM 134 C ALA A 9 -0.210 12.310 3.571 1.00 0.00 C ATOM 135 O ALA A 9 -0.234 11.177 4.051 1.00 0.00 O ATOM 136 CB ALA A 9 -1.560 14.274 2.788 1.00 0.00 C ATOM 0 H ALA A 9 -2.643 11.723 3.772 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.920 12.603 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.636 14.832 2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.300 14.591 2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.939 14.466 3.792 1.00 0.00 H new ATOM 142 N LEU A 10 0.712 13.198 3.839 1.00 0.00 N ATOM 143 CA LEU A 10 1.856 12.905 4.687 1.00 0.00 C ATOM 144 C LEU A 10 1.438 12.466 6.087 1.00 0.00 C ATOM 145 O LEU A 10 0.984 13.273 6.900 1.00 0.00 O ATOM 146 CB LEU A 10 2.755 14.124 4.775 1.00 0.00 C ATOM 147 CG LEU A 10 3.611 14.406 3.532 1.00 0.00 C ATOM 148 CD1 LEU A 10 3.018 15.548 2.721 1.00 0.00 C ATOM 149 CD2 LEU A 10 5.047 14.714 3.935 1.00 0.00 C ATOM 0 H LEU A 10 0.697 14.152 3.477 1.00 0.00 H new ATOM 0 HA LEU A 10 2.398 12.075 4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.134 14.998 4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.418 14.003 5.632 1.00 0.00 H new ATOM 0 HG LEU A 10 3.616 13.514 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.639 15.733 1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.010 15.283 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.980 16.448 3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.641 14.912 3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.063 15.590 4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.466 13.861 4.468 1.00 0.00 H new ATOM 161 N GLY A 11 1.604 11.178 6.359 1.00 0.00 N ATOM 162 CA GLY A 11 1.246 10.631 7.652 1.00 0.00 C ATOM 163 C GLY A 11 -0.249 10.616 7.870 1.00 0.00 C ATOM 164 O GLY A 11 -0.720 10.440 8.997 1.00 0.00 O ATOM 0 H GLY A 11 1.984 10.498 5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.634 9.616 7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.720 11.219 8.438 1.00 0.00 H new ATOM 168 N GLY A 12 -0.995 10.792 6.789 1.00 0.00 N ATOM 169 CA GLY A 12 -2.436 10.807 6.880 1.00 0.00 C ATOM 170 C GLY A 12 -2.993 9.427 7.119 1.00 0.00 C ATOM 171 O GLY A 12 -2.460 8.436 6.610 1.00 0.00 O ATOM 0 H GLY A 12 -0.624 10.925 5.848 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.743 11.469 7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.855 11.214 5.960 1.00 0.00 H new ATOM 175 N ARG A 13 -4.042 9.353 7.913 1.00 0.00 N ATOM 176 CA ARG A 13 -4.672 8.084 8.202 1.00 0.00 C ATOM 177 C ARG A 13 -5.696 7.791 7.126 1.00 0.00 C ATOM 178 O ARG A 13 -6.626 8.573 6.914 1.00 0.00 O ATOM 179 CB ARG A 13 -5.331 8.105 9.578 1.00 0.00 C ATOM 180 CG ARG A 13 -4.390 7.747 10.717 1.00 0.00 C ATOM 181 CD ARG A 13 -3.275 8.773 10.869 1.00 0.00 C ATOM 182 NE ARG A 13 -2.938 9.019 12.268 1.00 0.00 N ATOM 183 CZ ARG A 13 -1.890 9.738 12.668 1.00 0.00 C ATOM 184 NH1 ARG A 13 -1.071 10.290 11.778 1.00 0.00 N ATOM 185 NH2 ARG A 13 -1.667 9.904 13.962 1.00 0.00 N ATOM 0 H ARG A 13 -4.475 10.157 8.368 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.916 7.299 8.212 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.742 9.098 9.758 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.169 7.408 9.579 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.953 7.681 11.648 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.957 6.763 10.536 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.388 8.424 10.339 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.579 9.709 10.400 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.542 8.615 12.984 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.243 10.165 10.780 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.271 10.839 12.093 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.296 9.483 14.646 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.867 10.453 14.275 1.00 0.00 H new ATOM 199 N CYS A 14 -5.514 6.687 6.435 1.00 0.00 N ATOM 200 CA CYS A 14 -6.411 6.311 5.364 1.00 0.00 C ATOM 201 C CYS A 14 -6.701 4.826 5.372 1.00 0.00 C ATOM 202 O CYS A 14 -5.997 4.038 6.004 1.00 0.00 O ATOM 203 CB CYS A 14 -5.808 6.696 4.018 1.00 0.00 C ATOM 204 SG CYS A 14 -6.065 8.422 3.568 1.00 0.00 S ATOM 0 H CYS A 14 -4.750 6.031 6.597 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.348 6.845 5.520 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.737 6.492 4.039 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.238 6.061 3.243 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.736 8.485 2.456 1.00 0.00 H new ATOM 210 N LEU A 15 -7.756 4.467 4.675 1.00 0.00 N ATOM 211 CA LEU A 15 -8.152 3.087 4.529 1.00 0.00 C ATOM 212 C LEU A 15 -7.760 2.665 3.135 1.00 0.00 C ATOM 213 O LEU A 15 -7.799 3.476 2.222 1.00 0.00 O ATOM 214 CB LEU A 15 -9.659 2.929 4.723 1.00 0.00 C ATOM 215 CG LEU A 15 -10.146 3.037 6.168 1.00 0.00 C ATOM 216 CD1 LEU A 15 -11.640 3.300 6.201 1.00 0.00 C ATOM 217 CD2 LEU A 15 -9.812 1.772 6.940 1.00 0.00 C ATOM 0 H LEU A 15 -8.365 5.128 4.192 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.663 2.468 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.167 3.688 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.960 1.959 4.327 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.635 3.874 6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.974 3.375 7.236 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.857 4.234 5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.165 2.481 5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.166 1.868 7.966 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.297 0.918 6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.733 1.621 6.942 1.00 0.00 H new ATOM 229 N ALA A 16 -7.388 1.429 2.950 1.00 0.00 N ATOM 230 CA ALA A 16 -6.981 0.986 1.638 1.00 0.00 C ATOM 231 C ALA A 16 -7.538 -0.389 1.378 1.00 0.00 C ATOM 232 O ALA A 16 -7.614 -1.216 2.287 1.00 0.00 O ATOM 233 CB ALA A 16 -5.463 1.027 1.507 1.00 0.00 C ATOM 0 H ALA A 16 -7.357 0.715 3.678 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.382 1.660 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.174 0.690 0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.112 2.048 1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.015 0.373 2.256 1.00 0.00 H new ATOM 239 N PHE A 17 -7.941 -0.634 0.151 1.00 0.00 N ATOM 240 CA PHE A 17 -8.532 -1.909 -0.185 1.00 0.00 C ATOM 241 C PHE A 17 -7.480 -2.959 -0.493 1.00 0.00 C ATOM 242 O PHE A 17 -6.865 -2.962 -1.560 1.00 0.00 O ATOM 243 CB PHE A 17 -9.513 -1.766 -1.351 1.00 0.00 C ATOM 244 CG PHE A 17 -10.917 -1.485 -0.896 1.00 0.00 C ATOM 245 CD1 PHE A 17 -11.420 -0.194 -0.900 1.00 0.00 C ATOM 246 CD2 PHE A 17 -11.733 -2.516 -0.454 1.00 0.00 C ATOM 247 CE1 PHE A 17 -12.711 0.064 -0.472 1.00 0.00 C ATOM 248 CE2 PHE A 17 -13.023 -2.264 -0.023 1.00 0.00 C ATOM 249 CZ PHE A 17 -13.511 -0.970 -0.034 1.00 0.00 C ATOM 0 H PHE A 17 -7.871 0.026 -0.624 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.084 -2.249 0.691 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.179 -0.960 -2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.504 -2.681 -1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.798 0.620 -1.241 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.356 -3.528 -0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.091 1.075 -0.481 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.647 -3.075 0.321 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.518 -0.770 0.300 1.00 0.00 H new ATOM 259 N HIS A 18 -7.267 -3.835 0.471 1.00 0.00 N ATOM 260 CA HIS A 18 -6.333 -4.929 0.319 1.00 0.00 C ATOM 261 C HIS A 18 -7.154 -6.182 0.116 1.00 0.00 C ATOM 262 O HIS A 18 -7.769 -6.697 1.056 1.00 0.00 O ATOM 263 CB HIS A 18 -5.425 -5.065 1.543 1.00 0.00 C ATOM 264 CG HIS A 18 -4.076 -5.625 1.218 1.00 0.00 C ATOM 265 ND1 HIS A 18 -2.931 -4.966 0.941 1.00 0.00 N flip ATOM 266 CD2 HIS A 18 -3.842 -6.980 1.147 1.00 0.00 C flip ATOM 267 CE1 HIS A 18 -1.975 -5.910 0.694 1.00 0.00 C flip ATOM 268 NE2 HIS A 18 -2.563 -7.106 0.824 1.00 0.00 N flip ATOM 0 H HIS A 18 -7.735 -3.807 1.377 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.676 -4.751 -0.532 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.303 -4.086 2.007 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.910 -5.707 2.278 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.553 -7.775 1.319 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.941 -5.727 0.442 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.088 -7.999 0.692 1.00 0.00 H new ATOM 276 N GLY A 19 -7.215 -6.634 -1.118 1.00 0.00 N ATOM 277 CA GLY A 19 -8.012 -7.794 -1.424 1.00 0.00 C ATOM 278 C GLY A 19 -9.487 -7.454 -1.350 1.00 0.00 C ATOM 279 O GLY A 19 -9.960 -6.594 -2.092 1.00 0.00 O ATOM 0 H GLY A 19 -6.728 -6.220 -1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.766 -8.160 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.781 -8.597 -0.724 1.00 0.00 H new ATOM 283 N PRO A 20 -10.240 -8.098 -0.450 1.00 0.00 N ATOM 284 CA PRO A 20 -11.662 -7.854 -0.285 1.00 0.00 C ATOM 285 C PRO A 20 -12.011 -6.865 0.826 1.00 0.00 C ATOM 286 O PRO A 20 -13.177 -6.490 0.962 1.00 0.00 O ATOM 287 CB PRO A 20 -12.200 -9.236 0.102 1.00 0.00 C ATOM 288 CG PRO A 20 -11.003 -10.070 0.485 1.00 0.00 C ATOM 289 CD PRO A 20 -9.795 -9.167 0.441 1.00 0.00 C ATOM 0 HA PRO A 20 -12.080 -7.413 -1.190 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.902 -9.160 0.933 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.739 -9.690 -0.730 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.131 -10.492 1.482 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.882 -10.907 -0.202 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.532 -8.790 1.429 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.916 -9.681 0.052 1.00 0.00 H new ATOM 297 N LEU A 21 -11.032 -6.428 1.614 1.00 0.00 N ATOM 298 CA LEU A 21 -11.343 -5.538 2.726 1.00 0.00 C ATOM 299 C LEU A 21 -10.550 -4.243 2.743 1.00 0.00 C ATOM 300 O LEU A 21 -9.592 -4.055 1.997 1.00 0.00 O ATOM 301 CB LEU A 21 -11.131 -6.265 4.049 1.00 0.00 C ATOM 302 CG LEU A 21 -12.257 -7.211 4.450 1.00 0.00 C ATOM 303 CD1 LEU A 21 -12.138 -7.579 5.913 1.00 0.00 C ATOM 304 CD2 LEU A 21 -13.600 -6.568 4.181 1.00 0.00 C ATOM 0 H LEU A 21 -10.046 -6.667 1.508 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.387 -5.258 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.203 -6.833 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.001 -5.524 4.837 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.177 -8.120 3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.949 -8.255 6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.181 -8.071 6.088 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.198 -6.677 6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.396 -7.253 4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.685 -5.647 4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.688 -6.339 3.119 1.00 0.00 H new ATOM 316 N MET A 22 -10.995 -3.364 3.630 1.00 0.00 N ATOM 317 CA MET A 22 -10.398 -2.063 3.855 1.00 0.00 C ATOM 318 C MET A 22 -9.445 -2.150 5.037 1.00 0.00 C ATOM 319 O MET A 22 -9.847 -2.494 6.145 1.00 0.00 O ATOM 320 CB MET A 22 -11.493 -1.019 4.142 1.00 0.00 C ATOM 321 CG MET A 22 -11.569 0.082 3.094 1.00 0.00 C ATOM 322 SD MET A 22 -12.867 1.292 3.431 1.00 0.00 S ATOM 323 CE MET A 22 -14.336 0.287 3.237 1.00 0.00 C ATOM 0 H MET A 22 -11.802 -3.545 4.227 1.00 0.00 H new ATOM 0 HA MET A 22 -9.850 -1.757 2.963 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.458 -1.522 4.200 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.309 -0.569 5.118 1.00 0.00 H new ATOM 0 HG2 MET A 22 -10.608 0.594 3.043 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.744 -0.367 2.116 1.00 0.00 H new ATOM 0 HE1 MET A 22 -15.111 0.868 2.738 1.00 0.00 H new ATOM 0 HE2 MET A 22 -14.099 -0.592 2.637 1.00 0.00 H new ATOM 0 HE3 MET A 22 -14.693 -0.028 4.217 1.00 0.00 H new ATOM 333 N TYR A 23 -8.187 -1.870 4.796 1.00 0.00 N ATOM 334 CA TYR A 23 -7.185 -1.915 5.845 1.00 0.00 C ATOM 335 C TYR A 23 -6.765 -0.502 6.208 1.00 0.00 C ATOM 336 O TYR A 23 -6.521 0.315 5.324 1.00 0.00 O ATOM 337 CB TYR A 23 -5.960 -2.707 5.385 1.00 0.00 C ATOM 338 CG TYR A 23 -6.177 -4.208 5.249 1.00 0.00 C ATOM 339 CD1 TYR A 23 -7.228 -4.724 4.496 1.00 0.00 C ATOM 340 CD2 TYR A 23 -5.313 -5.110 5.866 1.00 0.00 C ATOM 341 CE1 TYR A 23 -7.410 -6.085 4.362 1.00 0.00 C ATOM 342 CE2 TYR A 23 -5.494 -6.476 5.736 1.00 0.00 C ATOM 343 CZ TYR A 23 -6.544 -6.955 4.982 1.00 0.00 C ATOM 344 OH TYR A 23 -6.726 -8.309 4.837 1.00 0.00 O ATOM 0 H TYR A 23 -7.827 -1.607 3.879 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.615 -2.408 6.717 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.633 -2.314 4.423 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.149 -2.535 6.092 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.913 -4.047 4.008 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -4.488 -4.737 6.455 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.230 -6.466 3.772 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.817 -7.162 6.222 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.031 -8.788 5.335 1.00 0.00 H new ATOM 354 N GLU A 24 -6.699 -0.203 7.496 1.00 0.00 N ATOM 355 CA GLU A 24 -6.294 1.122 7.923 1.00 0.00 C ATOM 356 C GLU A 24 -4.781 1.217 7.887 1.00 0.00 C ATOM 357 O GLU A 24 -4.077 0.418 8.504 1.00 0.00 O ATOM 358 CB GLU A 24 -6.835 1.464 9.315 1.00 0.00 C ATOM 359 CG GLU A 24 -6.540 0.440 10.400 1.00 0.00 C ATOM 360 CD GLU A 24 -7.245 0.783 11.698 1.00 0.00 C ATOM 361 OE1 GLU A 24 -8.218 0.088 12.052 1.00 0.00 O ATOM 362 OE2 GLU A 24 -6.848 1.766 12.358 1.00 0.00 O ATOM 0 H GLU A 24 -6.918 -0.851 8.253 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.719 1.853 7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.419 2.424 9.622 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.915 1.593 9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.855 -0.548 10.064 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.465 0.390 10.571 1.00 0.00 H new ATOM 369 N ALA A 25 -4.278 2.181 7.149 1.00 0.00 N ATOM 370 CA ALA A 25 -2.853 2.342 7.015 1.00 0.00 C ATOM 371 C ALA A 25 -2.420 3.787 7.171 1.00 0.00 C ATOM 372 O ALA A 25 -3.220 4.716 7.041 1.00 0.00 O ATOM 373 CB ALA A 25 -2.407 1.801 5.669 1.00 0.00 C ATOM 0 H ALA A 25 -4.836 2.863 6.634 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.377 1.779 7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.329 1.923 5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.661 0.743 5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.911 2.348 4.872 1.00 0.00 H new ATOM 379 N LYS A 26 -1.146 3.955 7.469 1.00 0.00 N ATOM 380 CA LYS A 26 -0.554 5.266 7.630 1.00 0.00 C ATOM 381 C LYS A 26 0.277 5.579 6.398 1.00 0.00 C ATOM 382 O LYS A 26 1.217 4.846 6.074 1.00 0.00 O ATOM 383 CB LYS A 26 0.312 5.291 8.885 1.00 0.00 C ATOM 384 CG LYS A 26 0.950 6.637 9.166 1.00 0.00 C ATOM 385 CD LYS A 26 1.782 6.587 10.431 1.00 0.00 C ATOM 386 CE LYS A 26 2.304 7.958 10.802 1.00 0.00 C ATOM 387 NZ LYS A 26 2.704 8.020 12.227 1.00 0.00 N ATOM 0 H LYS A 26 -0.492 3.184 7.606 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.333 6.020 7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.298 5.004 9.741 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.097 4.541 8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.578 6.929 8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.175 7.398 9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.180 6.191 11.249 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.619 5.903 10.291 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.158 8.206 10.172 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.536 8.706 10.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.057 8.973 12.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.882 7.808 12.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.454 7.323 12.408 1.00 0.00 H new ATOM 401 N ILE A 27 -0.080 6.647 5.704 1.00 0.00 N ATOM 402 CA ILE A 27 0.625 7.031 4.491 1.00 0.00 C ATOM 403 C ILE A 27 1.980 7.628 4.808 1.00 0.00 C ATOM 404 O ILE A 27 2.089 8.625 5.512 1.00 0.00 O ATOM 405 CB ILE A 27 -0.199 8.019 3.641 1.00 0.00 C ATOM 406 CG1 ILE A 27 -1.638 7.512 3.473 1.00 0.00 C ATOM 407 CG2 ILE A 27 0.460 8.205 2.284 1.00 0.00 C ATOM 408 CD1 ILE A 27 -2.622 8.578 3.047 1.00 0.00 C ATOM 0 H ILE A 27 -0.852 7.263 5.959 1.00 0.00 H new ATOM 0 HA ILE A 27 0.772 6.121 3.910 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.234 8.981 4.152 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.645 6.710 2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.972 7.080 4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.126 8.904 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.467 8.600 2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.513 7.245 1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.615 8.139 2.951 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.647 9.370 3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.315 8.994 2.088 1.00 0.00 H new ATOM 420 N LEU A 28 3.009 6.995 4.284 1.00 0.00 N ATOM 421 CA LEU A 28 4.371 7.433 4.506 1.00 0.00 C ATOM 422 C LEU A 28 4.911 8.220 3.313 1.00 0.00 C ATOM 423 O LEU A 28 5.804 9.052 3.469 1.00 0.00 O ATOM 424 CB LEU A 28 5.272 6.227 4.780 1.00 0.00 C ATOM 425 CG LEU A 28 6.157 6.358 6.013 1.00 0.00 C ATOM 426 CD1 LEU A 28 5.420 5.898 7.261 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.446 5.573 5.830 1.00 0.00 C ATOM 0 H LEU A 28 2.926 6.166 3.695 1.00 0.00 H new ATOM 0 HA LEU A 28 4.369 8.094 5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.646 5.342 4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.907 6.061 3.910 1.00 0.00 H new ATOM 0 HG LEU A 28 6.410 7.411 6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.073 6.001 8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.529 6.509 7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.130 4.854 7.148 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.066 5.678 6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.212 4.520 5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.986 5.957 4.965 1.00 0.00 H new ATOM 439 N LYS A 29 4.395 7.942 2.121 1.00 0.00 N ATOM 440 CA LYS A 29 4.844 8.640 0.919 1.00 0.00 C ATOM 441 C LYS A 29 3.673 8.977 0.008 1.00 0.00 C ATOM 442 O LYS A 29 2.769 8.170 -0.179 1.00 0.00 O ATOM 443 CB LYS A 29 5.852 7.793 0.127 1.00 0.00 C ATOM 444 CG LYS A 29 6.942 7.158 0.972 1.00 0.00 C ATOM 445 CD LYS A 29 8.000 6.490 0.110 1.00 0.00 C ATOM 446 CE LYS A 29 9.092 5.879 0.963 1.00 0.00 C ATOM 447 NZ LYS A 29 10.236 5.400 0.143 1.00 0.00 N ATOM 0 H LYS A 29 3.670 7.243 1.960 1.00 0.00 H new ATOM 0 HA LYS A 29 5.324 9.561 1.251 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.312 7.005 -0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.318 8.421 -0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.409 7.919 1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.500 6.421 1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.538 5.717 -0.504 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.433 7.222 -0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.446 6.617 1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.682 5.047 1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.990 5.051 0.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.919 4.630 -0.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.601 6.184 -0.435 1.00 0.00 H new ATOM 461 N ILE A 30 3.700 10.176 -0.545 1.00 0.00 N ATOM 462 CA ILE A 30 2.663 10.631 -1.466 1.00 0.00 C ATOM 463 C ILE A 30 3.209 10.543 -2.869 1.00 0.00 C ATOM 464 O ILE A 30 4.351 10.883 -3.092 1.00 0.00 O ATOM 465 CB ILE A 30 2.223 12.086 -1.173 1.00 0.00 C ATOM 466 CG1 ILE A 30 1.959 12.275 0.320 1.00 0.00 C ATOM 467 CG2 ILE A 30 0.989 12.445 -1.984 1.00 0.00 C ATOM 468 CD1 ILE A 30 1.056 11.222 0.900 1.00 0.00 C ATOM 0 H ILE A 30 4.435 10.862 -0.373 1.00 0.00 H new ATOM 0 HA ILE A 30 1.785 9.996 -1.343 1.00 0.00 H new ATOM 0 HB ILE A 30 3.032 12.755 -1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.909 12.264 0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.513 13.256 0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.695 13.471 -1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.212 12.351 -3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.173 11.770 -1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.909 11.414 1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.093 11.247 0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.511 10.240 0.768 1.00 0.00 H new ATOM 480 N TRP A 31 2.416 10.111 -3.822 1.00 0.00 N ATOM 481 CA TRP A 31 2.923 9.957 -5.164 1.00 0.00 C ATOM 482 C TRP A 31 2.276 10.907 -6.149 1.00 0.00 C ATOM 483 O TRP A 31 1.047 10.979 -6.234 1.00 0.00 O ATOM 484 CB TRP A 31 2.682 8.550 -5.640 1.00 0.00 C ATOM 485 CG TRP A 31 3.028 8.386 -7.068 1.00 0.00 C ATOM 486 CD1 TRP A 31 2.184 8.382 -8.126 1.00 0.00 C ATOM 487 CD2 TRP A 31 4.327 8.249 -7.585 1.00 0.00 C ATOM 488 NE1 TRP A 31 2.891 8.201 -9.286 1.00 0.00 N ATOM 489 CE2 TRP A 31 4.215 8.117 -8.974 1.00 0.00 C ATOM 490 CE3 TRP A 31 5.576 8.212 -6.992 1.00 0.00 C ATOM 491 CZ2 TRP A 31 5.314 7.934 -9.784 1.00 0.00 C ATOM 492 CZ3 TRP A 31 6.672 8.044 -7.793 1.00 0.00 C ATOM 493 CH2 TRP A 31 6.535 7.905 -9.179 1.00 0.00 C ATOM 0 H TRP A 31 1.434 9.864 -3.697 1.00 0.00 H new ATOM 0 HA TRP A 31 3.988 10.185 -5.122 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.273 7.857 -5.041 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.635 8.289 -5.488 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.113 8.503 -8.065 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.494 8.140 -10.223 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.683 8.313 -5.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.212 7.818 -10.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.657 8.018 -7.350 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.419 7.771 -9.784 1.00 0.00 H new ATOM 504 N ASP A 32 3.112 11.578 -6.932 1.00 0.00 N ATOM 505 CA ASP A 32 2.643 12.500 -7.947 1.00 0.00 C ATOM 506 C ASP A 32 2.926 11.939 -9.341 1.00 0.00 C ATOM 507 O ASP A 32 4.083 11.822 -9.748 1.00 0.00 O ATOM 508 CB ASP A 32 3.301 13.864 -7.793 1.00 0.00 C ATOM 509 CG ASP A 32 2.716 14.854 -8.767 1.00 0.00 C ATOM 510 OD1 ASP A 32 3.393 15.179 -9.766 1.00 0.00 O ATOM 511 OD2 ASP A 32 1.560 15.278 -8.546 1.00 0.00 O ATOM 0 H ASP A 32 4.127 11.496 -6.878 1.00 0.00 H new ATOM 0 HA ASP A 32 1.567 12.622 -7.821 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.164 14.226 -6.774 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.375 13.775 -7.958 1.00 0.00 H new ATOM 516 N PRO A 33 1.867 11.599 -10.090 1.00 0.00 N ATOM 517 CA PRO A 33 1.983 11.026 -11.439 1.00 0.00 C ATOM 518 C PRO A 33 2.322 12.056 -12.514 1.00 0.00 C ATOM 519 O PRO A 33 2.482 11.711 -13.686 1.00 0.00 O ATOM 520 CB PRO A 33 0.585 10.464 -11.686 1.00 0.00 C ATOM 521 CG PRO A 33 -0.315 11.354 -10.903 1.00 0.00 C ATOM 522 CD PRO A 33 0.458 11.750 -9.675 1.00 0.00 C ATOM 0 HA PRO A 33 2.792 10.297 -11.493 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.333 10.477 -12.746 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.508 9.429 -11.353 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.599 12.231 -11.485 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.237 10.838 -10.634 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.236 12.774 -9.374 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.219 11.109 -8.826 1.00 0.00 H new ATOM 530 N SER A 34 2.435 13.309 -12.117 1.00 0.00 N ATOM 531 CA SER A 34 2.734 14.381 -13.059 1.00 0.00 C ATOM 532 C SER A 34 4.235 14.647 -13.121 1.00 0.00 C ATOM 533 O SER A 34 4.750 15.172 -14.109 1.00 0.00 O ATOM 534 CB SER A 34 1.981 15.652 -12.664 1.00 0.00 C ATOM 535 OG SER A 34 0.592 15.390 -12.544 1.00 0.00 O ATOM 0 H SER A 34 2.325 13.614 -11.150 1.00 0.00 H new ATOM 0 HA SER A 34 2.405 14.071 -14.051 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.368 16.032 -11.719 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.147 16.428 -13.412 1.00 0.00 H new ATOM 0 HG SER A 34 0.125 16.213 -12.289 1.00 0.00 H new ATOM 541 N SER A 35 4.930 14.264 -12.068 1.00 0.00 N ATOM 542 CA SER A 35 6.366 14.454 -11.989 1.00 0.00 C ATOM 543 C SER A 35 7.048 13.094 -11.934 1.00 0.00 C ATOM 544 O SER A 35 8.166 12.918 -12.419 1.00 0.00 O ATOM 545 CB SER A 35 6.711 15.293 -10.751 1.00 0.00 C ATOM 546 OG SER A 35 5.748 16.322 -10.548 1.00 0.00 O ATOM 0 H SER A 35 4.520 13.816 -11.249 1.00 0.00 H new ATOM 0 HA SER A 35 6.721 14.988 -12.871 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.753 14.650 -9.872 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.700 15.734 -10.870 1.00 0.00 H new ATOM 0 HG SER A 35 4.940 15.939 -10.148 1.00 0.00 H new ATOM 552 N LYS A 36 6.347 12.145 -11.313 1.00 0.00 N ATOM 553 CA LYS A 36 6.792 10.773 -11.168 1.00 0.00 C ATOM 554 C LYS A 36 7.789 10.703 -10.039 1.00 0.00 C ATOM 555 O LYS A 36 8.765 9.954 -10.043 1.00 0.00 O ATOM 556 CB LYS A 36 7.322 10.176 -12.464 1.00 0.00 C ATOM 557 CG LYS A 36 7.347 8.670 -12.407 1.00 0.00 C ATOM 558 CD LYS A 36 7.711 8.048 -13.747 1.00 0.00 C ATOM 559 CE LYS A 36 6.490 7.880 -14.632 1.00 0.00 C ATOM 560 NZ LYS A 36 6.799 7.093 -15.854 1.00 0.00 N ATOM 0 H LYS A 36 5.435 12.320 -10.890 1.00 0.00 H new ATOM 0 HA LYS A 36 5.932 10.151 -10.920 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.698 10.500 -13.297 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.328 10.551 -12.654 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.065 8.349 -11.653 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.370 8.304 -12.093 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.445 8.675 -14.253 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.180 7.078 -13.584 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.699 7.383 -14.070 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.110 8.861 -14.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.940 7.000 -16.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.536 7.580 -16.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.137 6.148 -15.582 1.00 0.00 H new ATOM 574 N MET A 37 7.485 11.524 -9.074 1.00 0.00 N ATOM 575 CA MET A 37 8.201 11.648 -7.868 1.00 0.00 C ATOM 576 C MET A 37 7.199 11.351 -6.782 1.00 0.00 C ATOM 577 O MET A 37 6.000 11.218 -7.047 1.00 0.00 O ATOM 578 CB MET A 37 8.749 13.070 -7.712 1.00 0.00 C ATOM 579 CG MET A 37 9.672 13.508 -8.837 1.00 0.00 C ATOM 580 SD MET A 37 9.909 15.292 -8.889 1.00 0.00 S ATOM 581 CE MET A 37 11.270 15.405 -10.044 1.00 0.00 C ATOM 0 H MET A 37 6.684 12.153 -9.126 1.00 0.00 H new ATOM 0 HA MET A 37 9.056 10.973 -7.832 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.912 13.766 -7.652 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.288 13.138 -6.767 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.640 13.021 -8.718 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.261 13.173 -9.789 1.00 0.00 H new ATOM 0 HE1 MET A 37 11.622 16.436 -10.092 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.083 14.759 -9.712 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.936 15.089 -11.032 1.00 0.00 H new ATOM 591 N TYR A 38 7.660 11.291 -5.578 1.00 0.00 N ATOM 592 CA TYR A 38 6.810 10.990 -4.464 1.00 0.00 C ATOM 593 C TYR A 38 7.320 11.782 -3.274 1.00 0.00 C ATOM 594 O TYR A 38 8.514 12.087 -3.198 1.00 0.00 O ATOM 595 CB TYR A 38 6.794 9.481 -4.160 1.00 0.00 C ATOM 596 CG TYR A 38 8.144 8.870 -3.865 1.00 0.00 C ATOM 597 CD1 TYR A 38 8.927 8.342 -4.882 1.00 0.00 C ATOM 598 CD2 TYR A 38 8.630 8.813 -2.571 1.00 0.00 C ATOM 599 CE1 TYR A 38 10.156 7.780 -4.614 1.00 0.00 C ATOM 600 CE2 TYR A 38 9.857 8.254 -2.293 1.00 0.00 C ATOM 601 CZ TYR A 38 10.616 7.739 -3.317 1.00 0.00 C ATOM 602 OH TYR A 38 11.840 7.180 -3.043 1.00 0.00 O ATOM 0 H TYR A 38 8.637 11.449 -5.333 1.00 0.00 H new ATOM 0 HA TYR A 38 5.781 11.268 -4.693 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.139 9.305 -3.306 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.355 8.960 -5.011 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.567 8.372 -5.900 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.036 9.215 -1.764 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.755 7.374 -5.416 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.221 8.220 -1.277 1.00 0.00 H new ATOM 0 HH TYR A 38 11.713 6.303 -2.624 1.00 0.00 H new ATOM 612 N THR A 39 6.447 12.139 -2.363 1.00 0.00 N ATOM 613 CA THR A 39 6.868 12.894 -1.210 1.00 0.00 C ATOM 614 C THR A 39 6.747 12.033 0.037 1.00 0.00 C ATOM 615 O THR A 39 5.652 11.708 0.497 1.00 0.00 O ATOM 616 CB THR A 39 6.104 14.223 -1.085 1.00 0.00 C ATOM 617 OG1 THR A 39 4.843 14.037 -0.434 1.00 0.00 O ATOM 618 CG2 THR A 39 5.874 14.841 -2.456 1.00 0.00 C ATOM 0 H THR A 39 5.451 11.921 -2.397 1.00 0.00 H new ATOM 0 HA THR A 39 7.916 13.167 -1.332 1.00 0.00 H new ATOM 0 HB THR A 39 6.716 14.894 -0.482 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.747 13.098 -0.169 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.332 15.780 -2.345 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.834 15.030 -2.935 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.290 14.156 -3.071 1.00 0.00 H new ATOM 626 N SER A 40 7.892 11.657 0.557 1.00 0.00 N ATOM 627 CA SER A 40 7.970 10.778 1.712 1.00 0.00 C ATOM 628 C SER A 40 8.162 11.552 3.011 1.00 0.00 C ATOM 629 O SER A 40 8.280 12.769 3.014 1.00 0.00 O ATOM 630 CB SER A 40 9.144 9.813 1.503 1.00 0.00 C ATOM 631 OG SER A 40 9.174 8.781 2.478 1.00 0.00 O ATOM 0 H SER A 40 8.799 11.949 0.195 1.00 0.00 H new ATOM 0 HA SER A 40 7.029 10.235 1.800 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.074 9.369 0.510 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.080 10.370 1.538 1.00 0.00 H new ATOM 0 HG SER A 40 10.101 8.501 2.629 1.00 0.00 H new ATOM 637 N ILE A 41 8.125 10.827 4.116 1.00 0.00 N ATOM 638 CA ILE A 41 8.370 11.406 5.427 1.00 0.00 C ATOM 639 C ILE A 41 9.493 10.627 6.096 1.00 0.00 C ATOM 640 O ILE A 41 9.475 9.394 6.093 1.00 0.00 O ATOM 641 CB ILE A 41 7.130 11.349 6.343 1.00 0.00 C ATOM 642 CG1 ILE A 41 5.841 11.418 5.533 1.00 0.00 C ATOM 643 CG2 ILE A 41 7.169 12.476 7.361 1.00 0.00 C ATOM 644 CD1 ILE A 41 4.668 10.788 6.242 1.00 0.00 C ATOM 0 H ILE A 41 7.926 9.827 4.131 1.00 0.00 H new ATOM 0 HA ILE A 41 8.629 12.455 5.281 1.00 0.00 H new ATOM 0 HB ILE A 41 7.149 10.395 6.870 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.610 12.461 5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.992 10.918 4.576 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.287 12.421 7.999 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.066 12.382 7.973 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.182 13.435 6.842 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.779 10.868 5.616 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.882 9.737 6.436 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.494 11.303 7.187 1.00 0.00 H new ATOM 656 N PRO A 42 10.506 11.319 6.637 1.00 0.00 N ATOM 657 CA PRO A 42 11.627 10.665 7.309 1.00 0.00 C ATOM 658 C PRO A 42 11.173 9.965 8.584 1.00 0.00 C ATOM 659 O PRO A 42 10.725 10.606 9.537 1.00 0.00 O ATOM 660 CB PRO A 42 12.592 11.816 7.635 1.00 0.00 C ATOM 661 CG PRO A 42 12.124 12.970 6.809 1.00 0.00 C ATOM 662 CD PRO A 42 10.648 12.779 6.627 1.00 0.00 C ATOM 0 HA PRO A 42 12.085 9.892 6.691 1.00 0.00 H new ATOM 0 HB2 PRO A 42 12.570 12.058 8.697 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.620 11.549 7.390 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.336 13.917 7.306 1.00 0.00 H new ATOM 0 HG3 PRO A 42 12.636 12.994 5.847 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.078 13.246 7.430 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.296 13.213 5.691 1.00 0.00 H new ATOM 670 N ASN A 43 11.283 8.645 8.589 1.00 0.00 N ATOM 671 CA ASN A 43 10.892 7.843 9.737 1.00 0.00 C ATOM 672 C ASN A 43 11.604 6.502 9.687 1.00 0.00 C ATOM 673 O ASN A 43 12.399 6.177 10.567 1.00 0.00 O ATOM 674 CB ASN A 43 9.375 7.632 9.760 1.00 0.00 C ATOM 675 CG ASN A 43 8.734 8.121 11.047 1.00 0.00 C ATOM 676 OD1 ASN A 43 7.823 7.488 11.579 1.00 0.00 O ATOM 677 ND2 ASN A 43 9.183 9.266 11.543 1.00 0.00 N ATOM 0 H ASN A 43 11.643 8.103 7.803 1.00 0.00 H new ATOM 0 HA ASN A 43 11.177 8.371 10.647 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.927 8.154 8.915 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.158 6.572 9.631 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.771 9.650 12.394 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.940 9.763 11.074 1.00 0.00 H new ATOM 684 N ASP A 44 11.319 5.731 8.646 1.00 0.00 N ATOM 685 CA ASP A 44 11.958 4.433 8.468 1.00 0.00 C ATOM 686 C ASP A 44 13.339 4.632 7.869 1.00 0.00 C ATOM 687 O ASP A 44 13.479 4.963 6.689 1.00 0.00 O ATOM 688 CB ASP A 44 11.126 3.514 7.570 1.00 0.00 C ATOM 689 CG ASP A 44 11.819 2.186 7.312 1.00 0.00 C ATOM 690 OD1 ASP A 44 12.053 1.851 6.133 1.00 0.00 O ATOM 691 OD2 ASP A 44 12.143 1.478 8.291 1.00 0.00 O ATOM 0 H ASP A 44 10.653 5.980 7.915 1.00 0.00 H new ATOM 0 HA ASP A 44 12.040 3.955 9.444 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.157 3.332 8.036 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.934 4.013 6.620 1.00 0.00 H new ATOM 696 N LYS A 45 14.355 4.461 8.696 1.00 0.00 N ATOM 697 CA LYS A 45 15.728 4.637 8.262 1.00 0.00 C ATOM 698 C LYS A 45 16.508 3.337 8.397 1.00 0.00 C ATOM 699 O LYS A 45 16.646 2.805 9.499 1.00 0.00 O ATOM 700 CB LYS A 45 16.412 5.724 9.096 1.00 0.00 C ATOM 701 CG LYS A 45 15.673 7.053 9.107 1.00 0.00 C ATOM 702 CD LYS A 45 15.577 7.623 10.517 1.00 0.00 C ATOM 703 CE LYS A 45 16.950 7.742 11.177 1.00 0.00 C ATOM 704 NZ LYS A 45 16.845 8.060 12.624 1.00 0.00 N ATOM 0 H LYS A 45 14.253 4.199 9.677 1.00 0.00 H new ATOM 0 HA LYS A 45 15.714 4.936 7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 45 16.516 5.369 10.121 1.00 0.00 H new ATOM 0 HB3 LYS A 45 17.419 5.883 8.711 1.00 0.00 H new ATOM 0 HG2 LYS A 45 16.188 7.763 8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.672 6.918 8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.105 8.605 10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.936 6.984 11.124 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.496 6.807 11.050 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.527 8.519 10.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.798 8.132 13.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.347 8.965 12.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.316 7.306 13.108 1.00 0.00 H new ATOM 718 N PRO A 46 17.032 2.805 7.286 1.00 0.00 N ATOM 719 CA PRO A 46 17.834 1.579 7.297 1.00 0.00 C ATOM 720 C PRO A 46 19.225 1.844 7.869 1.00 0.00 C ATOM 721 O PRO A 46 20.040 0.933 8.027 1.00 0.00 O ATOM 722 CB PRO A 46 17.932 1.183 5.815 1.00 0.00 C ATOM 723 CG PRO A 46 16.978 2.079 5.095 1.00 0.00 C ATOM 724 CD PRO A 46 16.857 3.322 5.927 1.00 0.00 C ATOM 0 HA PRO A 46 17.391 0.799 7.916 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.948 1.311 5.441 1.00 0.00 H new ATOM 0 HB3 PRO A 46 17.670 0.135 5.671 1.00 0.00 H new ATOM 0 HG2 PRO A 46 17.344 2.314 4.096 1.00 0.00 H new ATOM 0 HG3 PRO A 46 16.008 1.597 4.973 1.00 0.00 H new ATOM 0 HD2 PRO A 46 17.618 4.059 5.671 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.889 3.806 5.797 1.00 0.00 H new ATOM 732 N GLY A 47 19.475 3.109 8.181 1.00 0.00 N ATOM 733 CA GLY A 47 20.748 3.526 8.730 1.00 0.00 C ATOM 734 C GLY A 47 20.893 5.034 8.717 1.00 0.00 C ATOM 735 O GLY A 47 20.843 5.679 9.761 1.00 0.00 O ATOM 0 H GLY A 47 18.803 3.866 8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.842 3.160 9.752 1.00 0.00 H new ATOM 0 HA3 GLY A 47 21.558 3.077 8.155 1.00 0.00 H new ATOM 739 N GLY A 48 21.053 5.595 7.526 1.00 0.00 N ATOM 740 CA GLY A 48 21.199 7.031 7.387 1.00 0.00 C ATOM 741 C GLY A 48 21.617 7.403 5.985 1.00 0.00 C ATOM 742 O GLY A 48 21.968 6.527 5.200 1.00 0.00 O ATOM 0 H GLY A 48 21.084 5.077 6.648 1.00 0.00 H new ATOM 0 HA2 GLY A 48 20.256 7.520 7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 48 21.940 7.395 8.099 1.00 0.00 H new ATOM 746 N SER A 49 21.573 8.687 5.660 1.00 0.00 N ATOM 747 CA SER A 49 21.953 9.142 4.331 1.00 0.00 C ATOM 748 C SER A 49 23.098 10.158 4.412 1.00 0.00 C ATOM 749 O SER A 49 24.185 9.834 4.896 1.00 0.00 O ATOM 750 CB SER A 49 20.734 9.733 3.604 1.00 0.00 C ATOM 751 OG SER A 49 20.184 10.835 4.314 1.00 0.00 O ATOM 0 H SER A 49 21.279 9.429 6.295 1.00 0.00 H new ATOM 0 HA SER A 49 22.310 8.287 3.757 1.00 0.00 H new ATOM 0 HB2 SER A 49 21.026 10.053 2.604 1.00 0.00 H new ATOM 0 HB3 SER A 49 19.973 8.962 3.482 1.00 0.00 H new ATOM 0 HG SER A 49 19.635 10.505 5.055 1.00 0.00 H new ATOM 757 N SER A 50 22.841 11.387 3.964 1.00 0.00 N ATOM 758 CA SER A 50 23.844 12.447 3.976 1.00 0.00 C ATOM 759 C SER A 50 23.226 13.774 3.534 1.00 0.00 C ATOM 760 O SER A 50 22.893 14.629 4.352 1.00 0.00 O ATOM 761 CB SER A 50 25.010 12.079 3.050 1.00 0.00 C ATOM 762 OG SER A 50 24.540 11.668 1.773 1.00 0.00 O ATOM 0 H SER A 50 21.938 11.673 3.586 1.00 0.00 H new ATOM 0 HA SER A 50 24.218 12.558 4.994 1.00 0.00 H new ATOM 0 HB2 SER A 50 25.674 12.936 2.938 1.00 0.00 H new ATOM 0 HB3 SER A 50 25.597 11.278 3.500 1.00 0.00 H new ATOM 0 HG SER A 50 25.303 11.441 1.201 1.00 0.00 H new ATOM 768 N GLN A 51 23.036 13.907 2.229 1.00 0.00 N ATOM 769 CA GLN A 51 22.474 15.113 1.631 1.00 0.00 C ATOM 770 C GLN A 51 20.949 15.037 1.540 1.00 0.00 C ATOM 771 O GLN A 51 20.331 15.732 0.729 1.00 0.00 O ATOM 772 CB GLN A 51 23.062 15.293 0.229 1.00 0.00 C ATOM 773 CG GLN A 51 22.702 14.157 -0.716 1.00 0.00 C ATOM 774 CD GLN A 51 23.553 14.127 -1.969 1.00 0.00 C ATOM 775 OE1 GLN A 51 24.065 15.153 -2.420 1.00 0.00 O ATOM 776 NE2 GLN A 51 23.714 12.943 -2.539 1.00 0.00 N ATOM 0 H GLN A 51 23.267 13.180 1.552 1.00 0.00 H new ATOM 0 HA GLN A 51 22.729 15.963 2.264 1.00 0.00 H new ATOM 0 HB2 GLN A 51 22.706 16.234 -0.190 1.00 0.00 H new ATOM 0 HB3 GLN A 51 24.147 15.367 0.303 1.00 0.00 H new ATOM 0 HG2 GLN A 51 22.809 13.208 -0.190 1.00 0.00 H new ATOM 0 HG3 GLN A 51 21.653 14.248 -0.999 1.00 0.00 H new ATOM 0 HE21 GLN A 51 23.273 12.118 -2.134 1.00 0.00 H new ATOM 0 HE22 GLN A 51 24.279 12.856 -3.384 1.00 0.00 H new ATOM 785 N ALA A 52 20.342 14.215 2.383 1.00 0.00 N ATOM 786 CA ALA A 52 18.897 14.043 2.359 1.00 0.00 C ATOM 787 C ALA A 52 18.334 13.853 3.762 1.00 0.00 C ATOM 788 O ALA A 52 18.975 14.222 4.747 1.00 0.00 O ATOM 789 CB ALA A 52 18.532 12.858 1.473 1.00 0.00 C ATOM 0 H ALA A 52 20.825 13.659 3.089 1.00 0.00 H new ATOM 0 HA ALA A 52 18.453 14.950 1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.449 12.734 1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 52 18.890 13.038 0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 52 18.996 11.953 1.866 1.00 0.00 H new ATOM 795 N THR A 53 17.116 13.305 3.822 1.00 0.00 N ATOM 796 CA THR A 53 16.372 13.013 5.064 1.00 0.00 C ATOM 797 C THR A 53 15.989 14.257 5.875 1.00 0.00 C ATOM 798 O THR A 53 15.007 14.231 6.613 1.00 0.00 O ATOM 799 CB THR A 53 17.056 11.957 5.977 1.00 0.00 C ATOM 800 OG1 THR A 53 18.453 12.216 6.157 1.00 0.00 O ATOM 801 CG2 THR A 53 16.875 10.566 5.395 1.00 0.00 C ATOM 0 H THR A 53 16.599 13.042 2.983 1.00 0.00 H new ATOM 0 HA THR A 53 15.445 12.573 4.696 1.00 0.00 H new ATOM 0 HB THR A 53 16.575 12.021 6.953 1.00 0.00 H new ATOM 0 HG1 THR A 53 18.636 13.162 5.978 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.358 9.835 6.043 1.00 0.00 H new ATOM 0 HG22 THR A 53 15.812 10.338 5.321 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.325 10.525 4.403 1.00 0.00 H new ATOM 809 N LYS A 54 16.742 15.337 5.749 1.00 0.00 N ATOM 810 CA LYS A 54 16.419 16.564 6.463 1.00 0.00 C ATOM 811 C LYS A 54 15.223 17.240 5.807 1.00 0.00 C ATOM 812 O LYS A 54 14.366 17.824 6.471 1.00 0.00 O ATOM 813 CB LYS A 54 17.613 17.514 6.457 1.00 0.00 C ATOM 814 CG LYS A 54 18.631 17.221 7.537 1.00 0.00 C ATOM 815 CD LYS A 54 19.609 18.373 7.703 1.00 0.00 C ATOM 816 CE LYS A 54 20.408 18.240 8.983 1.00 0.00 C ATOM 817 NZ LYS A 54 21.126 19.499 9.318 1.00 0.00 N ATOM 0 H LYS A 54 17.576 15.391 5.164 1.00 0.00 H new ATOM 0 HA LYS A 54 16.175 16.314 7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 54 18.103 17.461 5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 54 17.253 18.536 6.577 1.00 0.00 H new ATOM 0 HG2 LYS A 54 18.119 17.037 8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 54 19.177 16.311 7.288 1.00 0.00 H new ATOM 0 HD2 LYS A 54 20.287 18.402 6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 54 19.064 19.317 7.709 1.00 0.00 H new ATOM 0 HE2 LYS A 54 19.741 17.973 9.802 1.00 0.00 H new ATOM 0 HE3 LYS A 54 21.127 17.427 8.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 21.662 19.369 10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 21.781 19.740 8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 20.438 20.269 9.441 1.00 0.00 H new ATOM 831 N GLU A 55 15.174 17.133 4.493 1.00 0.00 N ATOM 832 CA GLU A 55 14.109 17.726 3.706 1.00 0.00 C ATOM 833 C GLU A 55 13.635 16.753 2.644 1.00 0.00 C ATOM 834 O GLU A 55 14.441 16.140 1.937 1.00 0.00 O ATOM 835 CB GLU A 55 14.579 19.037 3.065 1.00 0.00 C ATOM 836 CG GLU A 55 16.090 19.137 2.906 1.00 0.00 C ATOM 837 CD GLU A 55 16.525 20.421 2.239 1.00 0.00 C ATOM 838 OE1 GLU A 55 16.831 21.397 2.957 1.00 0.00 O ATOM 839 OE2 GLU A 55 16.562 20.464 0.992 1.00 0.00 O ATOM 0 H GLU A 55 15.871 16.633 3.941 1.00 0.00 H new ATOM 0 HA GLU A 55 13.273 17.950 4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 55 14.113 19.139 2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.231 19.873 3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.559 19.065 3.887 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.446 18.290 2.320 1.00 0.00 H new ATOM 846 N ILE A 56 12.328 16.600 2.550 1.00 0.00 N ATOM 847 CA ILE A 56 11.748 15.703 1.581 1.00 0.00 C ATOM 848 C ILE A 56 11.232 16.456 0.380 1.00 0.00 C ATOM 849 O ILE A 56 10.111 16.966 0.365 1.00 0.00 O ATOM 850 CB ILE A 56 10.610 14.858 2.160 1.00 0.00 C ATOM 851 CG1 ILE A 56 11.122 13.992 3.317 1.00 0.00 C ATOM 852 CG2 ILE A 56 10.019 13.989 1.059 1.00 0.00 C ATOM 853 CD1 ILE A 56 12.177 12.979 2.907 1.00 0.00 C ATOM 0 H ILE A 56 11.651 17.088 3.136 1.00 0.00 H new ATOM 0 HA ILE A 56 12.553 15.032 1.282 1.00 0.00 H new ATOM 0 HB ILE A 56 9.834 15.516 2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.536 14.641 4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.279 13.464 3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.208 13.386 1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.633 14.624 0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.792 13.334 0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.489 12.405 3.780 1.00 0.00 H new ATOM 0 HD12 ILE A 56 11.762 12.304 2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.038 13.500 2.488 1.00 0.00 H new ATOM 865 N LYS A 57 12.090 16.568 -0.599 1.00 0.00 N ATOM 866 CA LYS A 57 11.734 17.181 -1.854 1.00 0.00 C ATOM 867 C LYS A 57 11.181 16.070 -2.729 1.00 0.00 C ATOM 868 O LYS A 57 11.492 14.906 -2.480 1.00 0.00 O ATOM 869 CB LYS A 57 12.958 17.849 -2.501 1.00 0.00 C ATOM 870 CG LYS A 57 14.248 17.050 -2.352 1.00 0.00 C ATOM 871 CD LYS A 57 15.296 17.796 -1.530 1.00 0.00 C ATOM 872 CE LYS A 57 15.573 19.177 -2.103 1.00 0.00 C ATOM 873 NZ LYS A 57 16.784 19.802 -1.508 1.00 0.00 N ATOM 0 H LYS A 57 13.054 16.238 -0.551 1.00 0.00 H new ATOM 0 HA LYS A 57 10.993 17.969 -1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.758 18.003 -3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.099 18.834 -2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.029 16.094 -1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.653 16.829 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.953 17.890 -0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 57 16.220 17.219 -1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.699 19.101 -3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.711 19.821 -1.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.198 20.472 -2.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.522 20.308 -0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.480 19.063 -1.282 1.00 0.00 H new ATOM 887 N PRO A 58 10.335 16.373 -3.718 1.00 0.00 N ATOM 888 CA PRO A 58 9.766 15.344 -4.589 1.00 0.00 C ATOM 889 C PRO A 58 10.863 14.511 -5.249 1.00 0.00 C ATOM 890 O PRO A 58 11.610 15.001 -6.095 1.00 0.00 O ATOM 891 CB PRO A 58 8.962 16.140 -5.618 1.00 0.00 C ATOM 892 CG PRO A 58 8.691 17.453 -4.965 1.00 0.00 C ATOM 893 CD PRO A 58 9.865 17.720 -4.068 1.00 0.00 C ATOM 0 HA PRO A 58 9.150 14.625 -4.049 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.523 16.268 -6.544 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.035 15.628 -5.876 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.580 18.243 -5.708 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.763 17.420 -4.394 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.638 18.296 -4.577 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.575 18.287 -3.184 1.00 0.00 H new ATOM 901 N GLN A 59 10.970 13.259 -4.830 1.00 0.00 N ATOM 902 CA GLN A 59 11.989 12.360 -5.353 1.00 0.00 C ATOM 903 C GLN A 59 11.363 11.336 -6.291 1.00 0.00 C ATOM 904 O GLN A 59 10.333 10.752 -5.973 1.00 0.00 O ATOM 905 CB GLN A 59 12.719 11.650 -4.202 1.00 0.00 C ATOM 906 CG GLN A 59 13.344 12.609 -3.196 1.00 0.00 C ATOM 907 CD GLN A 59 13.949 11.912 -1.988 1.00 0.00 C ATOM 908 OE1 GLN A 59 13.443 10.732 -1.660 1.00 0.00 O flip ATOM 909 NE2 GLN A 59 14.867 12.434 -1.353 1.00 0.00 N flip ATOM 0 H GLN A 59 10.361 12.841 -4.126 1.00 0.00 H new ATOM 0 HA GLN A 59 12.714 12.949 -5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 59 12.016 10.999 -3.683 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.499 11.011 -4.616 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.118 13.192 -3.695 1.00 0.00 H new ATOM 0 HG3 GLN A 59 12.584 13.313 -2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 59 15.230 13.344 -1.636 1.00 0.00 H new ATOM 0 HE22 GLN A 59 15.264 11.956 -0.544 1.00 0.00 H new ATOM 918 N LYS A 60 11.979 11.145 -7.449 1.00 0.00 N ATOM 919 CA LYS A 60 11.502 10.211 -8.443 1.00 0.00 C ATOM 920 C LYS A 60 11.673 8.795 -7.951 1.00 0.00 C ATOM 921 O LYS A 60 12.541 8.515 -7.119 1.00 0.00 O ATOM 922 CB LYS A 60 12.246 10.397 -9.765 1.00 0.00 C ATOM 923 CG LYS A 60 11.750 11.579 -10.576 1.00 0.00 C ATOM 924 CD LYS A 60 12.255 11.527 -12.005 1.00 0.00 C ATOM 925 CE LYS A 60 11.495 12.488 -12.903 1.00 0.00 C ATOM 926 NZ LYS A 60 12.006 12.462 -14.298 1.00 0.00 N ATOM 0 H LYS A 60 12.828 11.640 -7.721 1.00 0.00 H new ATOM 0 HA LYS A 60 10.443 10.405 -8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.309 10.527 -9.560 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.145 9.490 -10.361 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.660 11.590 -10.575 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.079 12.506 -10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.317 11.772 -12.025 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.155 10.512 -12.390 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.436 12.229 -12.899 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.577 13.499 -12.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.462 13.131 -14.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.010 12.734 -14.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.904 11.503 -14.687 1.00 0.00 H new ATOM 940 N LEU A 61 10.837 7.921 -8.463 1.00 0.00 N ATOM 941 CA LEU A 61 10.867 6.524 -8.087 1.00 0.00 C ATOM 942 C LEU A 61 12.177 5.835 -8.397 1.00 0.00 C ATOM 943 O LEU A 61 12.621 5.791 -9.545 1.00 0.00 O ATOM 944 CB LEU A 61 9.766 5.761 -8.797 1.00 0.00 C ATOM 945 CG LEU A 61 8.458 5.678 -8.049 1.00 0.00 C ATOM 946 CD1 LEU A 61 7.532 4.697 -8.744 1.00 0.00 C ATOM 947 CD2 LEU A 61 8.710 5.293 -6.606 1.00 0.00 C ATOM 0 H LEU A 61 10.120 8.156 -9.149 1.00 0.00 H new ATOM 0 HA LEU A 61 10.729 6.516 -7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.585 6.231 -9.763 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.117 4.749 -8.996 1.00 0.00 H new ATOM 0 HG LEU A 61 7.970 6.653 -8.048 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.589 4.640 -8.201 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.344 5.034 -9.763 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.997 3.712 -8.768 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.761 5.235 -6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.206 4.323 -6.570 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.345 6.043 -6.135 1.00 0.00 H new ATOM 959 N GLY A 62 12.802 5.333 -7.349 1.00 0.00 N ATOM 960 CA GLY A 62 13.997 4.545 -7.522 1.00 0.00 C ATOM 961 C GLY A 62 13.609 3.222 -8.154 1.00 0.00 C ATOM 962 O GLY A 62 12.431 2.854 -8.138 1.00 0.00 O ATOM 0 H GLY A 62 12.503 5.457 -6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 62 14.711 5.073 -8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.484 4.378 -6.561 1.00 0.00 H new ATOM 966 N GLU A 63 14.569 2.478 -8.666 1.00 0.00 N ATOM 967 CA GLU A 63 14.273 1.210 -9.339 1.00 0.00 C ATOM 968 C GLU A 63 13.956 0.097 -8.348 1.00 0.00 C ATOM 969 O GLU A 63 14.019 -1.086 -8.686 1.00 0.00 O ATOM 970 CB GLU A 63 15.447 0.805 -10.218 1.00 0.00 C ATOM 971 CG GLU A 63 16.043 1.973 -10.967 1.00 0.00 C ATOM 972 CD GLU A 63 17.169 1.558 -11.888 1.00 0.00 C ATOM 973 OE1 GLU A 63 16.914 1.315 -13.085 1.00 0.00 O ATOM 974 OE2 GLU A 63 18.318 1.454 -11.414 1.00 0.00 O ATOM 0 H GLU A 63 15.559 2.720 -8.634 1.00 0.00 H new ATOM 0 HA GLU A 63 13.387 1.362 -9.955 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.217 0.344 -9.599 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.118 0.050 -10.932 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.263 2.462 -11.550 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.415 2.707 -10.252 1.00 0.00 H new ATOM 981 N ASP A 64 13.623 0.479 -7.129 1.00 0.00 N ATOM 982 CA ASP A 64 13.300 -0.487 -6.084 1.00 0.00 C ATOM 983 C ASP A 64 11.915 -0.214 -5.493 1.00 0.00 C ATOM 984 O ASP A 64 11.406 -0.989 -4.684 1.00 0.00 O ATOM 985 CB ASP A 64 14.369 -0.434 -4.980 1.00 0.00 C ATOM 986 CG ASP A 64 14.153 -1.474 -3.899 1.00 0.00 C ATOM 987 OD1 ASP A 64 14.003 -2.666 -4.237 1.00 0.00 O ATOM 988 OD2 ASP A 64 14.146 -1.103 -2.707 1.00 0.00 O ATOM 0 H ASP A 64 13.568 1.454 -6.833 1.00 0.00 H new ATOM 0 HA ASP A 64 13.287 -1.483 -6.526 1.00 0.00 H new ATOM 0 HB2 ASP A 64 15.353 -0.580 -5.426 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.368 0.558 -4.528 1.00 0.00 H new ATOM 993 N GLU A 65 11.282 0.867 -5.937 1.00 0.00 N ATOM 994 CA GLU A 65 9.982 1.257 -5.404 1.00 0.00 C ATOM 995 C GLU A 65 8.904 1.296 -6.473 1.00 0.00 C ATOM 996 O GLU A 65 7.881 1.959 -6.304 1.00 0.00 O ATOM 997 CB GLU A 65 10.123 2.616 -4.771 1.00 0.00 C ATOM 998 CG GLU A 65 10.676 2.562 -3.356 1.00 0.00 C ATOM 999 CD GLU A 65 10.619 3.893 -2.639 1.00 0.00 C ATOM 1000 OE1 GLU A 65 9.557 4.229 -2.076 1.00 0.00 O ATOM 1001 OE2 GLU A 65 11.646 4.600 -2.602 1.00 0.00 O ATOM 0 H GLU A 65 11.646 1.486 -6.661 1.00 0.00 H new ATOM 0 HA GLU A 65 9.671 0.512 -4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.779 3.231 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.149 3.105 -4.755 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.115 1.824 -2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.710 2.220 -3.391 1.00 0.00 H new ATOM 1008 N SER A 66 9.178 0.613 -7.571 1.00 0.00 N ATOM 1009 CA SER A 66 8.261 0.497 -8.712 1.00 0.00 C ATOM 1010 C SER A 66 6.795 0.428 -8.268 1.00 0.00 C ATOM 1011 O SER A 66 6.399 -0.473 -7.526 1.00 0.00 O ATOM 1012 CB SER A 66 8.622 -0.748 -9.519 1.00 0.00 C ATOM 1013 OG SER A 66 10.031 -0.922 -9.571 1.00 0.00 O ATOM 0 H SER A 66 10.056 0.112 -7.705 1.00 0.00 H new ATOM 0 HA SER A 66 8.370 1.390 -9.327 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.159 -1.626 -9.069 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.224 -0.660 -10.530 1.00 0.00 H new ATOM 0 HG SER A 66 10.242 -1.726 -10.091 1.00 0.00 H new ATOM 1019 N ILE A 67 6.007 1.384 -8.733 1.00 0.00 N ATOM 1020 CA ILE A 67 4.596 1.470 -8.379 1.00 0.00 C ATOM 1021 C ILE A 67 3.695 0.849 -9.448 1.00 0.00 C ATOM 1022 O ILE A 67 3.930 1.044 -10.643 1.00 0.00 O ATOM 1023 CB ILE A 67 4.189 2.946 -8.214 1.00 0.00 C ATOM 1024 CG1 ILE A 67 4.953 3.572 -7.064 1.00 0.00 C ATOM 1025 CG2 ILE A 67 2.694 3.096 -7.994 1.00 0.00 C ATOM 1026 CD1 ILE A 67 4.667 5.040 -6.900 1.00 0.00 C ATOM 0 H ILE A 67 6.324 2.120 -9.364 1.00 0.00 H new ATOM 0 HA ILE A 67 4.468 0.919 -7.447 1.00 0.00 H new ATOM 0 HB ILE A 67 4.440 3.465 -9.139 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.699 3.052 -6.140 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.022 3.431 -7.225 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.447 4.152 -7.882 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.157 2.686 -8.850 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.403 2.558 -7.092 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.243 5.431 -6.061 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.947 5.569 -7.811 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.604 5.184 -6.709 1.00 0.00 H new ATOM 1038 N PRO A 68 2.670 0.074 -9.035 1.00 0.00 N ATOM 1039 CA PRO A 68 1.699 -0.521 -9.960 1.00 0.00 C ATOM 1040 C PRO A 68 1.182 0.495 -10.981 1.00 0.00 C ATOM 1041 O PRO A 68 0.718 1.580 -10.620 1.00 0.00 O ATOM 1042 CB PRO A 68 0.576 -0.973 -9.034 1.00 0.00 C ATOM 1043 CG PRO A 68 1.268 -1.309 -7.760 1.00 0.00 C ATOM 1044 CD PRO A 68 2.412 -0.336 -7.637 1.00 0.00 C ATOM 0 HA PRO A 68 2.129 -1.327 -10.555 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.163 -0.185 -8.890 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.048 -1.836 -9.440 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.588 -1.221 -6.912 1.00 0.00 H new ATOM 0 HG3 PRO A 68 1.630 -2.337 -7.773 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.148 0.516 -7.011 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.289 -0.802 -7.187 1.00 0.00 H new ATOM 1052 N GLU A 69 1.261 0.130 -12.256 1.00 0.00 N ATOM 1053 CA GLU A 69 0.830 0.999 -13.361 1.00 0.00 C ATOM 1054 C GLU A 69 -0.657 1.370 -13.297 1.00 0.00 C ATOM 1055 O GLU A 69 -1.148 2.130 -14.131 1.00 0.00 O ATOM 1056 CB GLU A 69 1.129 0.325 -14.696 1.00 0.00 C ATOM 1057 CG GLU A 69 2.606 0.087 -14.937 1.00 0.00 C ATOM 1058 CD GLU A 69 2.847 -0.961 -15.994 1.00 0.00 C ATOM 1059 OE1 GLU A 69 2.729 -2.164 -15.676 1.00 0.00 O ATOM 1060 OE2 GLU A 69 3.158 -0.591 -17.145 1.00 0.00 O ATOM 0 H GLU A 69 1.624 -0.774 -12.559 1.00 0.00 H new ATOM 0 HA GLU A 69 1.393 1.927 -13.265 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.604 -0.629 -14.737 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.732 0.942 -15.502 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.079 1.021 -15.239 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.080 -0.223 -14.005 1.00 0.00 H new ATOM 1067 N GLU A 70 -1.366 0.837 -12.320 1.00 0.00 N ATOM 1068 CA GLU A 70 -2.784 1.130 -12.158 1.00 0.00 C ATOM 1069 C GLU A 70 -2.983 2.288 -11.183 1.00 0.00 C ATOM 1070 O GLU A 70 -4.046 2.901 -11.134 1.00 0.00 O ATOM 1071 CB GLU A 70 -3.524 -0.104 -11.637 1.00 0.00 C ATOM 1072 CG GLU A 70 -2.977 -0.625 -10.315 1.00 0.00 C ATOM 1073 CD GLU A 70 -3.907 -1.604 -9.624 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -3.650 -2.825 -9.708 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -4.884 -1.158 -8.985 1.00 0.00 O ATOM 0 H GLU A 70 -0.985 0.197 -11.623 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.187 1.409 -13.131 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.579 0.140 -11.514 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.465 -0.896 -12.383 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.017 -1.110 -10.493 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.789 0.218 -9.650 1.00 0.00 H new ATOM 1082 N ILE A 71 -1.938 2.598 -10.422 1.00 0.00 N ATOM 1083 CA ILE A 71 -2.013 3.647 -9.413 1.00 0.00 C ATOM 1084 C ILE A 71 -0.929 4.715 -9.609 1.00 0.00 C ATOM 1085 O ILE A 71 -1.042 5.828 -9.102 1.00 0.00 O ATOM 1086 CB ILE A 71 -1.892 3.024 -8.003 1.00 0.00 C ATOM 1087 CG1 ILE A 71 -0.513 2.394 -7.814 1.00 0.00 C ATOM 1088 CG2 ILE A 71 -2.964 1.962 -7.800 1.00 0.00 C ATOM 1089 CD1 ILE A 71 -0.385 1.553 -6.562 1.00 0.00 C ATOM 0 H ILE A 71 -1.030 2.138 -10.485 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.979 4.140 -9.519 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.027 3.817 -7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.287 1.773 -8.681 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.236 3.186 -7.785 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.866 1.532 -6.803 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.950 2.415 -7.905 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.844 1.177 -8.547 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.623 1.142 -6.501 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.577 2.173 -5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.108 0.738 -6.596 1.00 0.00 H new ATOM 1101 N ILE A 72 0.111 4.362 -10.356 1.00 0.00 N ATOM 1102 CA ILE A 72 1.232 5.265 -10.637 1.00 0.00 C ATOM 1103 C ILE A 72 0.789 6.493 -11.420 1.00 0.00 C ATOM 1104 O ILE A 72 1.420 7.542 -11.356 1.00 0.00 O ATOM 1105 CB ILE A 72 2.318 4.510 -11.419 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.683 5.208 -11.319 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.910 4.289 -12.875 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.007 6.149 -12.467 1.00 0.00 C ATOM 0 H ILE A 72 0.205 3.442 -10.786 1.00 0.00 H new ATOM 0 HA ILE A 72 1.632 5.609 -9.683 1.00 0.00 H new ATOM 0 HB ILE A 72 2.422 3.529 -10.955 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.719 5.771 -10.386 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.461 4.446 -11.262 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.702 3.752 -13.397 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.991 3.704 -12.911 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.746 5.253 -13.357 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.989 6.593 -12.307 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.009 5.593 -13.404 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.256 6.937 -12.514 1.00 0.00 H new ATOM 1120 N ASN A 73 -0.295 6.365 -12.149 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.795 7.472 -12.935 1.00 0.00 C ATOM 1122 C ASN A 73 -2.053 8.041 -12.311 1.00 0.00 C ATOM 1123 O ASN A 73 -2.814 8.759 -12.961 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.056 7.023 -14.371 1.00 0.00 C ATOM 1125 CG ASN A 73 0.083 7.375 -15.307 1.00 0.00 C ATOM 1126 OD1 ASN A 73 0.811 8.345 -15.091 1.00 0.00 O ATOM 1127 ND2 ASN A 73 0.242 6.593 -16.361 1.00 0.00 N ATOM 0 H ASN A 73 -0.847 5.510 -12.215 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.041 8.259 -12.952 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.215 5.945 -14.388 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.974 7.486 -14.732 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.988 6.784 -17.030 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.381 5.799 -16.505 1.00 0.00 H new ATOM 1134 N GLY A 74 -2.270 7.724 -11.040 1.00 0.00 N ATOM 1135 CA GLY A 74 -3.457 8.230 -10.360 1.00 0.00 C ATOM 1136 C GLY A 74 -3.223 8.594 -8.907 1.00 0.00 C ATOM 1137 O GLY A 74 -4.023 8.219 -8.053 1.00 0.00 O ATOM 0 H GLY A 74 -1.660 7.136 -10.472 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.821 9.110 -10.891 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.243 7.477 -10.414 1.00 0.00 H new ATOM 1141 N LYS A 75 -2.151 9.358 -8.653 1.00 0.00 N ATOM 1142 CA LYS A 75 -1.766 9.792 -7.295 1.00 0.00 C ATOM 1143 C LYS A 75 -1.742 8.609 -6.332 1.00 0.00 C ATOM 1144 O LYS A 75 -2.773 8.156 -5.832 1.00 0.00 O ATOM 1145 CB LYS A 75 -2.685 10.897 -6.772 1.00 0.00 C ATOM 1146 CG LYS A 75 -2.004 11.840 -5.786 1.00 0.00 C ATOM 1147 CD LYS A 75 -1.342 13.017 -6.502 1.00 0.00 C ATOM 1148 CE LYS A 75 -0.391 13.781 -5.585 1.00 0.00 C ATOM 1149 NZ LYS A 75 0.199 14.984 -6.247 1.00 0.00 N ATOM 0 H LYS A 75 -1.523 9.695 -9.382 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.759 10.205 -7.359 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.060 11.476 -7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.549 10.441 -6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.738 12.213 -5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.254 11.292 -5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.793 12.651 -7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.111 13.695 -6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.927 14.090 -4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.411 13.117 -5.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.900 15.419 -5.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.662 14.700 -7.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.554 15.671 -6.454 1.00 0.00 H new ATOM 1163 N CYS A 76 -0.552 8.143 -6.029 1.00 0.00 N ATOM 1164 CA CYS A 76 -0.418 6.977 -5.180 1.00 0.00 C ATOM 1165 C CYS A 76 0.017 7.361 -3.778 1.00 0.00 C ATOM 1166 O CYS A 76 0.366 8.508 -3.512 1.00 0.00 O ATOM 1167 CB CYS A 76 0.570 5.995 -5.804 1.00 0.00 C ATOM 1168 SG CYS A 76 0.451 4.322 -5.156 1.00 0.00 S ATOM 0 H CYS A 76 0.328 8.546 -6.352 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.393 6.497 -5.098 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.408 5.968 -6.881 1.00 0.00 H new ATOM 0 HB3 CYS A 76 1.583 6.364 -5.643 1.00 0.00 H new ATOM 0 HG CYS A 76 1.464 4.085 -4.376 1.00 0.00 H new ATOM 1174 N PHE A 77 -0.045 6.396 -2.879 1.00 0.00 N ATOM 1175 CA PHE A 77 0.330 6.602 -1.502 1.00 0.00 C ATOM 1176 C PHE A 77 1.044 5.382 -0.960 1.00 0.00 C ATOM 1177 O PHE A 77 0.480 4.289 -0.915 1.00 0.00 O ATOM 1178 CB PHE A 77 -0.905 6.883 -0.654 1.00 0.00 C ATOM 1179 CG PHE A 77 -1.630 8.126 -1.056 1.00 0.00 C ATOM 1180 CD1 PHE A 77 -2.879 8.049 -1.633 1.00 0.00 C ATOM 1181 CD2 PHE A 77 -1.059 9.369 -0.863 1.00 0.00 C ATOM 1182 CE1 PHE A 77 -3.551 9.189 -2.010 1.00 0.00 C ATOM 1183 CE2 PHE A 77 -1.726 10.515 -1.239 1.00 0.00 C ATOM 1184 CZ PHE A 77 -2.975 10.426 -1.814 1.00 0.00 C ATOM 0 H PHE A 77 -0.358 5.448 -3.088 1.00 0.00 H new ATOM 0 HA PHE A 77 1.002 7.459 -1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.586 6.035 -0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.608 6.967 0.391 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.336 7.083 -1.791 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.080 9.444 -0.413 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.530 9.115 -2.460 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.270 11.482 -1.083 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.501 11.322 -2.110 1.00 0.00 H new ATOM 1194 N PHE A 78 2.290 5.567 -0.581 1.00 0.00 N ATOM 1195 CA PHE A 78 3.071 4.489 -0.009 1.00 0.00 C ATOM 1196 C PHE A 78 2.738 4.422 1.466 1.00 0.00 C ATOM 1197 O PHE A 78 3.242 5.210 2.264 1.00 0.00 O ATOM 1198 CB PHE A 78 4.570 4.734 -0.216 1.00 0.00 C ATOM 1199 CG PHE A 78 5.461 3.632 0.286 1.00 0.00 C ATOM 1200 CD1 PHE A 78 6.066 3.720 1.531 1.00 0.00 C ATOM 1201 CD2 PHE A 78 5.712 2.520 -0.500 1.00 0.00 C ATOM 1202 CE1 PHE A 78 6.902 2.717 1.980 1.00 0.00 C ATOM 1203 CE2 PHE A 78 6.545 1.515 -0.055 1.00 0.00 C ATOM 1204 CZ PHE A 78 7.143 1.613 1.184 1.00 0.00 C ATOM 0 H PHE A 78 2.786 6.455 -0.658 1.00 0.00 H new ATOM 0 HA PHE A 78 2.831 3.545 -0.497 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.757 4.878 -1.280 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.845 5.662 0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.881 4.582 2.155 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.250 2.439 -1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.367 2.795 2.952 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.729 0.651 -0.677 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.799 0.828 1.532 1.00 0.00 H new ATOM 1214 N ILE A 79 1.855 3.515 1.819 1.00 0.00 N ATOM 1215 CA ILE A 79 1.437 3.379 3.194 1.00 0.00 C ATOM 1216 C ILE A 79 2.110 2.224 3.866 1.00 0.00 C ATOM 1217 O ILE A 79 2.761 1.384 3.248 1.00 0.00 O ATOM 1218 CB ILE A 79 -0.081 3.144 3.343 1.00 0.00 C ATOM 1219 CG1 ILE A 79 -0.418 1.676 3.014 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.885 4.114 2.487 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -1.049 1.460 1.661 1.00 0.00 C ATOM 0 H ILE A 79 1.413 2.861 1.172 1.00 0.00 H new ATOM 0 HA ILE A 79 1.715 4.325 3.658 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.363 3.338 4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.497 1.086 3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.093 1.292 3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.949 3.918 2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.664 5.137 2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.618 3.982 1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.250 0.398 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.984 2.017 1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.370 1.808 0.883 1.00 0.00 H new ATOM 1233 N HIS A 80 1.902 2.209 5.143 1.00 0.00 N ATOM 1234 CA HIS A 80 2.383 1.186 6.003 1.00 0.00 C ATOM 1235 C HIS A 80 1.184 0.766 6.832 1.00 0.00 C ATOM 1236 O HIS A 80 0.769 1.487 7.742 1.00 0.00 O ATOM 1237 CB HIS A 80 3.535 1.752 6.827 1.00 0.00 C ATOM 1238 CG HIS A 80 3.779 1.063 8.119 1.00 0.00 C ATOM 1239 ND1 HIS A 80 4.614 -0.016 8.261 1.00 0.00 N ATOM 1240 CD2 HIS A 80 3.280 1.325 9.330 1.00 0.00 C ATOM 1241 CE1 HIS A 80 4.621 -0.395 9.525 1.00 0.00 C ATOM 1242 NE2 HIS A 80 3.814 0.408 10.201 1.00 0.00 N ATOM 0 H HIS A 80 1.375 2.935 5.628 1.00 0.00 H new ATOM 0 HA HIS A 80 2.784 0.313 5.487 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.446 1.706 6.230 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.337 2.805 7.026 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.145 -0.455 7.509 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.585 2.113 9.578 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.187 -1.218 9.937 1.00 0.00 H new ATOM 1251 N TYR A 81 0.569 -0.343 6.434 1.00 0.00 N ATOM 1252 CA TYR A 81 -0.624 -0.855 7.101 1.00 0.00 C ATOM 1253 C TYR A 81 -0.433 -0.885 8.611 1.00 0.00 C ATOM 1254 O TYR A 81 0.459 -1.559 9.128 1.00 0.00 O ATOM 1255 CB TYR A 81 -0.989 -2.237 6.559 1.00 0.00 C ATOM 1256 CG TYR A 81 -1.279 -2.218 5.073 1.00 0.00 C ATOM 1257 CD1 TYR A 81 -2.448 -1.648 4.576 1.00 0.00 C ATOM 1258 CD2 TYR A 81 -0.374 -2.745 4.166 1.00 0.00 C ATOM 1259 CE1 TYR A 81 -2.698 -1.607 3.216 1.00 0.00 C ATOM 1260 CE2 TYR A 81 -0.619 -2.710 2.806 1.00 0.00 C ATOM 1261 CZ TYR A 81 -1.779 -2.139 2.337 1.00 0.00 C ATOM 1262 OH TYR A 81 -2.016 -2.094 0.982 1.00 0.00 O ATOM 0 H TYR A 81 0.881 -0.909 5.645 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.453 -0.180 6.889 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.171 -2.929 6.758 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.862 -2.614 7.092 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -3.170 -1.232 5.262 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.540 -3.192 4.528 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.609 -1.160 2.845 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.097 -3.129 2.115 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.347 -2.965 0.679 1.00 0.00 H new ATOM 1272 N GLN A 82 -1.259 -0.109 9.296 1.00 0.00 N ATOM 1273 CA GLN A 82 -1.202 0.001 10.750 1.00 0.00 C ATOM 1274 C GLN A 82 -1.444 -1.343 11.430 1.00 0.00 C ATOM 1275 O GLN A 82 -2.443 -2.014 11.170 1.00 0.00 O ATOM 1276 CB GLN A 82 -2.228 1.019 11.247 1.00 0.00 C ATOM 1277 CG GLN A 82 -1.934 2.445 10.806 1.00 0.00 C ATOM 1278 CD GLN A 82 -2.876 3.457 11.429 1.00 0.00 C ATOM 1279 OE1 GLN A 82 -4.109 3.046 11.680 1.00 0.00 O flip ATOM 1280 NE2 GLN A 82 -2.495 4.597 11.687 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.986 0.461 8.864 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.198 0.336 11.010 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.216 0.732 10.886 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.264 0.984 12.336 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.908 2.699 11.072 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.007 2.507 9.720 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.536 4.874 11.478 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.138 5.266 12.111 1.00 0.00 H new ATOM 1289 N GLY A 83 -0.514 -1.729 12.293 1.00 0.00 N ATOM 1290 CA GLY A 83 -0.643 -2.979 13.014 1.00 0.00 C ATOM 1291 C GLY A 83 0.014 -4.149 12.308 1.00 0.00 C ATOM 1292 O GLY A 83 0.006 -5.271 12.820 1.00 0.00 O ATOM 0 H GLY A 83 0.330 -1.197 12.507 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.201 -2.867 14.004 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.701 -3.199 13.160 1.00 0.00 H new ATOM 1296 N TRP A 84 0.586 -3.901 11.140 1.00 0.00 N ATOM 1297 CA TRP A 84 1.236 -4.958 10.382 1.00 0.00 C ATOM 1298 C TRP A 84 2.758 -4.932 10.554 1.00 0.00 C ATOM 1299 O TRP A 84 3.272 -5.023 11.671 1.00 0.00 O ATOM 1300 CB TRP A 84 0.872 -4.858 8.901 1.00 0.00 C ATOM 1301 CG TRP A 84 -0.337 -5.657 8.536 1.00 0.00 C ATOM 1302 CD1 TRP A 84 -1.488 -5.189 7.973 1.00 0.00 C ATOM 1303 CD2 TRP A 84 -0.516 -7.069 8.708 1.00 0.00 C ATOM 1304 NE1 TRP A 84 -2.372 -6.221 7.779 1.00 0.00 N ATOM 1305 CE2 TRP A 84 -1.798 -7.386 8.223 1.00 0.00 C ATOM 1306 CE3 TRP A 84 0.282 -8.097 9.222 1.00 0.00 C ATOM 1307 CZ2 TRP A 84 -2.300 -8.684 8.239 1.00 0.00 C ATOM 1308 CZ3 TRP A 84 -0.219 -9.385 9.238 1.00 0.00 C ATOM 1309 CH2 TRP A 84 -1.498 -9.669 8.748 1.00 0.00 C ATOM 0 H TRP A 84 0.613 -2.982 10.698 1.00 0.00 H new ATOM 0 HA TRP A 84 0.874 -5.908 10.776 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.699 -3.812 8.646 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.718 -5.197 8.302 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -1.676 -4.157 7.717 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.303 -6.136 7.372 1.00 0.00 H new ATOM 0 HE3 TRP A 84 1.272 -7.888 9.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.288 -8.906 7.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 0.387 -10.186 9.635 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.860 -10.686 8.772 1.00 0.00 H new ATOM 1320 N LYS A 85 3.471 -4.807 9.441 1.00 0.00 N ATOM 1321 CA LYS A 85 4.927 -4.795 9.451 1.00 0.00 C ATOM 1322 C LYS A 85 5.455 -3.873 8.357 1.00 0.00 C ATOM 1323 O LYS A 85 4.716 -3.514 7.445 1.00 0.00 O ATOM 1324 CB LYS A 85 5.446 -6.222 9.234 1.00 0.00 C ATOM 1325 CG LYS A 85 6.955 -6.363 9.336 1.00 0.00 C ATOM 1326 CD LYS A 85 7.413 -7.749 8.911 1.00 0.00 C ATOM 1327 CE LYS A 85 6.943 -8.818 9.883 1.00 0.00 C ATOM 1328 NZ LYS A 85 7.287 -10.181 9.402 1.00 0.00 N ATOM 0 H LYS A 85 3.059 -4.712 8.513 1.00 0.00 H new ATOM 0 HA LYS A 85 5.278 -4.424 10.414 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.981 -6.880 9.968 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.127 -6.566 8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.435 -5.611 8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.271 -6.172 10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.030 -7.969 7.915 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.501 -7.769 8.846 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.399 -8.650 10.859 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.864 -8.740 10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.952 -10.886 10.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.832 -10.350 8.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.319 -10.262 9.298 1.00 0.00 H new ATOM 1342 N SER A 86 6.725 -3.485 8.456 1.00 0.00 N ATOM 1343 CA SER A 86 7.349 -2.619 7.460 1.00 0.00 C ATOM 1344 C SER A 86 7.406 -3.301 6.086 1.00 0.00 C ATOM 1345 O SER A 86 7.512 -2.645 5.053 1.00 0.00 O ATOM 1346 CB SER A 86 8.754 -2.243 7.924 1.00 0.00 C ATOM 1347 OG SER A 86 8.796 -2.102 9.333 1.00 0.00 O ATOM 0 H SER A 86 7.343 -3.759 9.220 1.00 0.00 H new ATOM 0 HA SER A 86 6.745 -1.718 7.356 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.463 -3.008 7.609 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.061 -1.310 7.451 1.00 0.00 H new ATOM 0 HG SER A 86 9.705 -1.863 9.611 1.00 0.00 H new ATOM 1353 N SER A 87 7.344 -4.626 6.077 1.00 0.00 N ATOM 1354 CA SER A 87 7.361 -5.377 4.827 1.00 0.00 C ATOM 1355 C SER A 87 5.987 -5.328 4.168 1.00 0.00 C ATOM 1356 O SER A 87 5.802 -5.800 3.048 1.00 0.00 O ATOM 1357 CB SER A 87 7.771 -6.825 5.083 1.00 0.00 C ATOM 1358 OG SER A 87 8.883 -6.886 5.961 1.00 0.00 O ATOM 0 H SER A 87 7.282 -5.202 6.917 1.00 0.00 H new ATOM 0 HA SER A 87 8.090 -4.923 4.156 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.933 -7.375 5.512 1.00 0.00 H new ATOM 0 HB3 SER A 87 8.020 -7.309 4.139 1.00 0.00 H new ATOM 0 HG SER A 87 9.129 -7.822 6.113 1.00 0.00 H new ATOM 1364 N TRP A 88 5.024 -4.759 4.884 1.00 0.00 N ATOM 1365 CA TRP A 88 3.667 -4.627 4.376 1.00 0.00 C ATOM 1366 C TRP A 88 3.471 -3.254 3.754 1.00 0.00 C ATOM 1367 O TRP A 88 2.396 -2.941 3.253 1.00 0.00 O ATOM 1368 CB TRP A 88 2.636 -4.852 5.486 1.00 0.00 C ATOM 1369 CG TRP A 88 2.350 -6.299 5.741 1.00 0.00 C ATOM 1370 CD1 TRP A 88 2.955 -7.110 6.657 1.00 0.00 C ATOM 1371 CD2 TRP A 88 1.379 -7.109 5.071 1.00 0.00 C ATOM 1372 NE1 TRP A 88 2.424 -8.375 6.595 1.00 0.00 N ATOM 1373 CE2 TRP A 88 1.454 -8.401 5.625 1.00 0.00 C ATOM 1374 CE3 TRP A 88 0.457 -6.865 4.048 1.00 0.00 C ATOM 1375 CZ2 TRP A 88 0.635 -9.443 5.196 1.00 0.00 C ATOM 1376 CZ3 TRP A 88 -0.355 -7.899 3.625 1.00 0.00 C ATOM 1377 CH2 TRP A 88 -0.258 -9.175 4.194 1.00 0.00 C ATOM 0 H TRP A 88 5.160 -4.381 5.821 1.00 0.00 H new ATOM 0 HA TRP A 88 3.517 -5.391 3.613 1.00 0.00 H new ATOM 0 HB2 TRP A 88 2.996 -4.392 6.406 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.708 -4.346 5.219 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.739 -6.801 7.333 1.00 0.00 H new ATOM 0 HE1 TRP A 88 2.705 -9.166 7.175 1.00 0.00 H new ATOM 0 HE3 TRP A 88 0.381 -5.886 3.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 0.702 -10.426 5.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -1.077 -7.721 2.842 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -0.902 -9.964 3.834 1.00 0.00 H new ATOM 1388 N ASP A 89 4.511 -2.432 3.815 1.00 0.00 N ATOM 1389 CA ASP A 89 4.462 -1.094 3.240 1.00 0.00 C ATOM 1390 C ASP A 89 4.248 -1.204 1.735 1.00 0.00 C ATOM 1391 O ASP A 89 5.147 -1.614 0.994 1.00 0.00 O ATOM 1392 CB ASP A 89 5.755 -0.331 3.547 1.00 0.00 C ATOM 1393 CG ASP A 89 5.858 0.105 5.000 1.00 0.00 C ATOM 1394 OD1 ASP A 89 6.274 1.254 5.250 1.00 0.00 O ATOM 1395 OD2 ASP A 89 5.518 -0.700 5.901 1.00 0.00 O ATOM 0 H ASP A 89 5.399 -2.669 4.257 1.00 0.00 H new ATOM 0 HA ASP A 89 3.633 -0.540 3.681 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.609 -0.962 3.301 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.813 0.548 2.905 1.00 0.00 H new ATOM 1400 N GLU A 90 3.052 -0.847 1.285 1.00 0.00 N ATOM 1401 CA GLU A 90 2.703 -0.953 -0.124 1.00 0.00 C ATOM 1402 C GLU A 90 2.211 0.373 -0.679 1.00 0.00 C ATOM 1403 O GLU A 90 2.053 1.348 0.048 1.00 0.00 O ATOM 1404 CB GLU A 90 1.621 -2.018 -0.317 1.00 0.00 C ATOM 1405 CG GLU A 90 2.163 -3.368 -0.750 1.00 0.00 C ATOM 1406 CD GLU A 90 1.073 -4.402 -0.956 1.00 0.00 C ATOM 1407 OE1 GLU A 90 1.295 -5.351 -1.739 1.00 0.00 O ATOM 1408 OE2 GLU A 90 -0.006 -4.276 -0.340 1.00 0.00 O ATOM 0 H GLU A 90 2.307 -0.481 1.877 1.00 0.00 H new ATOM 0 HA GLU A 90 3.604 -1.237 -0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.073 -2.139 0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.907 -1.667 -1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 90 2.724 -3.249 -1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 90 2.864 -3.731 0.002 1.00 0.00 H new ATOM 1415 N TRP A 91 1.956 0.383 -1.976 1.00 0.00 N ATOM 1416 CA TRP A 91 1.475 1.568 -2.662 1.00 0.00 C ATOM 1417 C TRP A 91 -0.005 1.425 -2.986 1.00 0.00 C ATOM 1418 O TRP A 91 -0.415 0.438 -3.596 1.00 0.00 O ATOM 1419 CB TRP A 91 2.218 1.763 -3.983 1.00 0.00 C ATOM 1420 CG TRP A 91 3.605 2.326 -3.881 1.00 0.00 C ATOM 1421 CD1 TRP A 91 4.775 1.626 -3.957 1.00 0.00 C ATOM 1422 CD2 TRP A 91 3.972 3.706 -3.736 1.00 0.00 C ATOM 1423 NE1 TRP A 91 5.844 2.486 -3.886 1.00 0.00 N ATOM 1424 CE2 TRP A 91 5.379 3.766 -3.744 1.00 0.00 C ATOM 1425 CE3 TRP A 91 3.253 4.901 -3.604 1.00 0.00 C ATOM 1426 CZ2 TRP A 91 6.072 4.968 -3.625 1.00 0.00 C ATOM 1427 CZ3 TRP A 91 3.951 6.091 -3.484 1.00 0.00 C ATOM 1428 CH2 TRP A 91 5.346 6.114 -3.501 1.00 0.00 C ATOM 0 H TRP A 91 2.077 -0.429 -2.582 1.00 0.00 H new ATOM 0 HA TRP A 91 1.644 2.420 -2.004 1.00 0.00 H new ATOM 0 HB2 TRP A 91 2.275 0.800 -4.491 1.00 0.00 H new ATOM 0 HB3 TRP A 91 1.625 2.423 -4.616 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.849 0.553 -4.058 1.00 0.00 H new ATOM 0 HE1 TRP A 91 6.826 2.215 -3.932 1.00 0.00 H new ATOM 0 HE3 TRP A 91 2.173 4.894 -3.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 7.152 4.991 -3.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.406 7.017 -3.375 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.861 7.060 -3.414 1.00 0.00 H new ATOM 1439 N VAL A 92 -0.807 2.386 -2.564 1.00 0.00 N ATOM 1440 CA VAL A 92 -2.229 2.371 -2.877 1.00 0.00 C ATOM 1441 C VAL A 92 -2.588 3.621 -3.665 1.00 0.00 C ATOM 1442 O VAL A 92 -1.949 4.656 -3.510 1.00 0.00 O ATOM 1443 CB VAL A 92 -3.126 2.281 -1.628 1.00 0.00 C ATOM 1444 CG1 VAL A 92 -3.043 0.894 -1.012 1.00 0.00 C ATOM 1445 CG2 VAL A 92 -2.771 3.359 -0.613 1.00 0.00 C ATOM 0 H VAL A 92 -0.502 3.184 -2.006 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.413 1.473 -3.466 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.157 2.454 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.683 0.848 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.374 0.152 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.013 0.685 -0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.422 3.268 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.733 3.239 -0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.904 4.342 -1.065 1.00 0.00 H new ATOM 1455 N GLY A 93 -3.587 3.528 -4.519 1.00 0.00 N ATOM 1456 CA GLY A 93 -3.982 4.679 -5.310 1.00 0.00 C ATOM 1457 C GLY A 93 -5.337 5.184 -4.895 1.00 0.00 C ATOM 1458 O GLY A 93 -6.032 4.497 -4.169 1.00 0.00 O ATOM 0 H GLY A 93 -4.134 2.683 -4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.244 5.473 -5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.999 4.410 -6.366 1.00 0.00 H new ATOM 1462 N TYR A 94 -5.704 6.374 -5.362 1.00 0.00 N ATOM 1463 CA TYR A 94 -7.002 7.009 -5.057 1.00 0.00 C ATOM 1464 C TYR A 94 -8.193 6.100 -5.338 1.00 0.00 C ATOM 1465 O TYR A 94 -9.297 6.323 -4.856 1.00 0.00 O ATOM 1466 CB TYR A 94 -7.153 8.263 -5.910 1.00 0.00 C ATOM 1467 CG TYR A 94 -6.946 9.536 -5.149 1.00 0.00 C ATOM 1468 CD1 TYR A 94 -7.298 10.754 -5.702 1.00 0.00 C ATOM 1469 CD2 TYR A 94 -6.405 9.518 -3.878 1.00 0.00 C ATOM 1470 CE1 TYR A 94 -7.118 11.925 -5.006 1.00 0.00 C ATOM 1471 CE2 TYR A 94 -6.219 10.679 -3.171 1.00 0.00 C ATOM 1472 CZ TYR A 94 -6.578 11.886 -3.737 1.00 0.00 C ATOM 1473 OH TYR A 94 -6.398 13.055 -3.034 1.00 0.00 O ATOM 0 H TYR A 94 -5.110 6.938 -5.970 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.000 7.237 -3.991 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.438 8.221 -6.732 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.149 8.273 -6.353 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.721 10.785 -6.695 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.124 8.575 -3.434 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.397 12.869 -5.449 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.795 10.649 -2.178 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.237 13.304 -2.593 1.00 0.00 H new ATOM 1483 N ASP A 95 -7.937 5.070 -6.097 1.00 0.00 N ATOM 1484 CA ASP A 95 -8.973 4.122 -6.502 1.00 0.00 C ATOM 1485 C ASP A 95 -8.885 2.844 -5.674 1.00 0.00 C ATOM 1486 O ASP A 95 -9.709 1.941 -5.794 1.00 0.00 O ATOM 1487 CB ASP A 95 -8.840 3.804 -7.995 1.00 0.00 C ATOM 1488 CG ASP A 95 -10.146 3.341 -8.615 1.00 0.00 C ATOM 1489 OD1 ASP A 95 -10.121 2.875 -9.774 1.00 0.00 O ATOM 1490 OD2 ASP A 95 -11.199 3.448 -7.954 1.00 0.00 O ATOM 0 H ASP A 95 -7.009 4.852 -6.459 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.948 4.575 -6.325 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.487 4.691 -8.521 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.084 3.031 -8.131 1.00 0.00 H new ATOM 1495 N ARG A 96 -7.873 2.778 -4.826 1.00 0.00 N ATOM 1496 CA ARG A 96 -7.660 1.622 -3.970 1.00 0.00 C ATOM 1497 C ARG A 96 -7.549 2.087 -2.527 1.00 0.00 C ATOM 1498 O ARG A 96 -7.335 1.292 -1.616 1.00 0.00 O ATOM 1499 CB ARG A 96 -6.375 0.877 -4.367 1.00 0.00 C ATOM 1500 CG ARG A 96 -6.194 0.672 -5.865 1.00 0.00 C ATOM 1501 CD ARG A 96 -6.945 -0.549 -6.366 1.00 0.00 C ATOM 1502 NE ARG A 96 -8.222 -0.201 -6.995 1.00 0.00 N ATOM 1503 CZ ARG A 96 -8.494 -0.383 -8.291 1.00 0.00 C ATOM 1504 NH1 ARG A 96 -7.552 -0.819 -9.126 1.00 0.00 N ATOM 1505 NH2 ARG A 96 -9.707 -0.103 -8.760 1.00 0.00 N ATOM 0 H ARG A 96 -7.180 3.518 -4.711 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.503 0.940 -4.083 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.518 1.430 -3.984 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.370 -0.097 -3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.544 1.557 -6.397 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.133 0.563 -6.091 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.324 -1.085 -7.084 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.127 -1.228 -5.533 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.949 0.206 -6.407 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.614 -1.017 -8.778 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.769 -0.955 -10.113 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.428 0.250 -8.131 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -9.916 -0.241 -9.749 1.00 0.00 H new ATOM 1519 N ILE A 97 -7.696 3.390 -2.341 1.00 0.00 N ATOM 1520 CA ILE A 97 -7.593 4.009 -1.035 1.00 0.00 C ATOM 1521 C ILE A 97 -8.837 4.841 -0.719 1.00 0.00 C ATOM 1522 O ILE A 97 -9.488 5.371 -1.617 1.00 0.00 O ATOM 1523 CB ILE A 97 -6.332 4.902 -0.971 1.00 0.00 C ATOM 1524 CG1 ILE A 97 -6.044 5.340 0.443 1.00 0.00 C ATOM 1525 CG2 ILE A 97 -6.499 6.133 -1.824 1.00 0.00 C ATOM 1526 CD1 ILE A 97 -4.735 6.081 0.602 1.00 0.00 C ATOM 0 H ILE A 97 -7.891 4.047 -3.096 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.514 3.217 -0.290 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.501 4.303 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.856 5.980 0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.034 4.463 1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.598 6.744 -1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.666 5.838 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.353 6.709 -1.468 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.601 6.362 1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.912 5.437 0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.747 6.978 -0.017 1.00 0.00 H new ATOM 1538 N ARG A 98 -9.166 4.919 0.560 1.00 0.00 N ATOM 1539 CA ARG A 98 -10.305 5.683 1.047 1.00 0.00 C ATOM 1540 C ARG A 98 -9.841 6.578 2.188 1.00 0.00 C ATOM 1541 O ARG A 98 -8.657 6.599 2.515 1.00 0.00 O ATOM 1542 CB ARG A 98 -11.431 4.759 1.536 1.00 0.00 C ATOM 1543 CG ARG A 98 -11.925 3.764 0.495 1.00 0.00 C ATOM 1544 CD ARG A 98 -12.240 4.429 -0.843 1.00 0.00 C ATOM 1545 NE ARG A 98 -13.163 5.559 -0.707 1.00 0.00 N ATOM 1546 CZ ARG A 98 -12.846 6.823 -1.017 1.00 0.00 C ATOM 1547 NH1 ARG A 98 -11.640 7.122 -1.478 1.00 0.00 N ATOM 1548 NH2 ARG A 98 -13.738 7.794 -0.860 1.00 0.00 N ATOM 0 H ARG A 98 -8.644 4.448 1.299 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.701 6.284 0.229 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.080 4.209 2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.271 5.372 1.863 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -11.169 2.993 0.345 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.819 3.265 0.869 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.313 4.775 -1.300 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.672 3.691 -1.519 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.102 5.372 -0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.944 6.387 -1.600 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.408 8.088 -1.711 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -14.669 7.579 -0.502 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.493 8.755 -1.097 1.00 0.00 H new ATOM 1562 N ALA A 99 -10.762 7.279 2.817 1.00 0.00 N ATOM 1563 CA ALA A 99 -10.425 8.157 3.897 1.00 0.00 C ATOM 1564 C ALA A 99 -10.804 7.477 5.176 1.00 0.00 C ATOM 1565 O ALA A 99 -11.905 6.943 5.313 1.00 0.00 O ATOM 1566 CB ALA A 99 -11.142 9.493 3.780 1.00 0.00 C ATOM 0 H ALA A 99 -11.756 7.251 2.589 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.356 8.367 3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.861 10.131 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.860 9.976 2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.220 9.330 3.794 1.00 0.00 H new ATOM 1572 N TYR A 100 -9.883 7.460 6.089 1.00 0.00 N ATOM 1573 CA TYR A 100 -10.103 6.846 7.361 1.00 0.00 C ATOM 1574 C TYR A 100 -10.991 7.758 8.201 1.00 0.00 C ATOM 1575 O TYR A 100 -10.520 8.702 8.835 1.00 0.00 O ATOM 1576 CB TYR A 100 -8.737 6.638 7.974 1.00 0.00 C ATOM 1577 CG TYR A 100 -8.692 5.929 9.308 1.00 0.00 C ATOM 1578 CD1 TYR A 100 -8.600 6.630 10.506 1.00 0.00 C ATOM 1579 CD2 TYR A 100 -8.712 4.545 9.358 1.00 0.00 C ATOM 1580 CE1 TYR A 100 -8.527 5.963 11.717 1.00 0.00 C ATOM 1581 CE2 TYR A 100 -8.646 3.873 10.561 1.00 0.00 C ATOM 1582 CZ TYR A 100 -8.552 4.581 11.736 1.00 0.00 C ATOM 1583 OH TYR A 100 -8.472 3.903 12.934 1.00 0.00 O ATOM 0 H TYR A 100 -8.957 7.872 5.973 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.615 5.887 7.289 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -8.130 6.072 7.267 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.265 7.613 8.091 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.585 7.710 10.491 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.780 3.982 8.439 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.451 6.518 12.640 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.668 2.793 10.580 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.933 3.093 12.816 1.00 0.00 H new ATOM 1593 N ASN A 101 -12.282 7.468 8.174 1.00 0.00 N ATOM 1594 CA ASN A 101 -13.269 8.249 8.897 1.00 0.00 C ATOM 1595 C ASN A 101 -14.377 7.345 9.412 1.00 0.00 C ATOM 1596 O ASN A 101 -14.415 6.159 9.100 1.00 0.00 O ATOM 1597 CB ASN A 101 -13.846 9.359 8.004 1.00 0.00 C ATOM 1598 CG ASN A 101 -14.454 8.830 6.714 1.00 0.00 C ATOM 1599 OD1 ASN A 101 -15.306 7.945 6.732 1.00 0.00 O ATOM 1600 ND2 ASN A 101 -14.018 9.366 5.587 1.00 0.00 N ATOM 0 H ASN A 101 -12.673 6.685 7.650 1.00 0.00 H new ATOM 0 HA ASN A 101 -12.780 8.722 9.749 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -14.607 9.906 8.560 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -13.056 10.070 7.762 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -14.390 9.046 4.693 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.309 10.099 5.612 1.00 0.00 H new ATOM 1607 N GLU A 102 -15.311 7.926 10.136 1.00 0.00 N ATOM 1608 CA GLU A 102 -16.403 7.167 10.745 1.00 0.00 C ATOM 1609 C GLU A 102 -17.397 6.604 9.728 1.00 0.00 C ATOM 1610 O GLU A 102 -18.258 5.801 10.083 1.00 0.00 O ATOM 1611 CB GLU A 102 -17.133 8.044 11.759 1.00 0.00 C ATOM 1612 CG GLU A 102 -16.266 8.426 12.945 1.00 0.00 C ATOM 1613 CD GLU A 102 -16.952 9.383 13.899 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -18.200 9.435 13.910 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -16.241 10.086 14.649 1.00 0.00 O ATOM 0 H GLU A 102 -15.342 8.928 10.323 1.00 0.00 H new ATOM 0 HA GLU A 102 -15.951 6.307 11.239 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -17.481 8.950 11.263 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -18.017 7.517 12.117 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.983 7.523 13.486 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.345 8.882 12.582 1.00 0.00 H new ATOM 1622 N GLU A 103 -17.284 6.999 8.471 1.00 0.00 N ATOM 1623 CA GLU A 103 -18.202 6.503 7.457 1.00 0.00 C ATOM 1624 C GLU A 103 -17.607 5.331 6.678 1.00 0.00 C ATOM 1625 O GLU A 103 -18.279 4.328 6.442 1.00 0.00 O ATOM 1626 CB GLU A 103 -18.598 7.619 6.489 1.00 0.00 C ATOM 1627 CG GLU A 103 -19.872 7.316 5.720 1.00 0.00 C ATOM 1628 CD GLU A 103 -21.120 7.677 6.497 1.00 0.00 C ATOM 1629 OE1 GLU A 103 -21.481 6.945 7.441 1.00 0.00 O ATOM 1630 OE2 GLU A 103 -21.749 8.705 6.166 1.00 0.00 O ATOM 0 H GLU A 103 -16.578 7.651 8.131 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.091 6.148 7.978 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -18.729 8.546 7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -17.785 7.785 5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.863 7.865 4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -19.898 6.255 5.470 1.00 0.00 H new ATOM 1637 N ASN A 104 -16.336 5.440 6.306 1.00 0.00 N ATOM 1638 CA ASN A 104 -15.682 4.391 5.527 1.00 0.00 C ATOM 1639 C ASN A 104 -15.275 3.245 6.429 1.00 0.00 C ATOM 1640 O ASN A 104 -15.358 2.074 6.053 1.00 0.00 O ATOM 1641 CB ASN A 104 -14.458 4.941 4.787 1.00 0.00 C ATOM 1642 CG ASN A 104 -14.825 5.771 3.569 1.00 0.00 C ATOM 1643 OD1 ASN A 104 -14.872 6.999 3.632 1.00 0.00 O ATOM 1644 ND2 ASN A 104 -15.083 5.109 2.450 1.00 0.00 N ATOM 0 H ASN A 104 -15.740 6.238 6.529 1.00 0.00 H new ATOM 0 HA ASN A 104 -16.393 4.024 4.786 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -13.870 5.552 5.472 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -13.824 4.110 4.476 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -15.331 5.618 1.602 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -15.034 4.090 2.437 1.00 0.00 H new ATOM 1651 N ILE A 105 -14.854 3.587 7.633 1.00 0.00 N ATOM 1652 CA ILE A 105 -14.442 2.594 8.602 1.00 0.00 C ATOM 1653 C ILE A 105 -15.644 1.784 9.033 1.00 0.00 C ATOM 1654 O ILE A 105 -15.532 0.595 9.327 1.00 0.00 O ATOM 1655 CB ILE A 105 -13.828 3.244 9.830 1.00 0.00 C ATOM 1656 CG1 ILE A 105 -12.539 3.957 9.459 1.00 0.00 C ATOM 1657 CG2 ILE A 105 -13.567 2.218 10.914 1.00 0.00 C ATOM 1658 CD1 ILE A 105 -11.987 4.766 10.594 1.00 0.00 C ATOM 0 H ILE A 105 -14.789 4.550 7.962 1.00 0.00 H new ATOM 0 HA ILE A 105 -13.695 1.954 8.133 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.537 3.975 10.218 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.798 3.222 9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.721 4.610 8.605 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -13.127 2.709 11.782 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -14.506 1.746 11.202 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.879 1.460 10.539 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.066 5.256 10.278 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.715 5.521 10.891 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.778 4.111 11.440 1.00 0.00 H new ATOM 1670 N ALA A 106 -16.801 2.444 9.048 1.00 0.00 N ATOM 1671 CA ALA A 106 -18.042 1.798 9.433 1.00 0.00 C ATOM 1672 C ALA A 106 -18.272 0.573 8.568 1.00 0.00 C ATOM 1673 O ALA A 106 -18.826 -0.428 9.024 1.00 0.00 O ATOM 1674 CB ALA A 106 -19.207 2.767 9.330 1.00 0.00 C ATOM 0 H ALA A 106 -16.899 3.428 8.796 1.00 0.00 H new ATOM 0 HA ALA A 106 -17.969 1.480 10.473 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -20.127 2.262 9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -19.033 3.617 9.990 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -19.298 3.119 8.302 1.00 0.00 H new ATOM 1680 N MET A 107 -17.815 0.647 7.323 1.00 0.00 N ATOM 1681 CA MET A 107 -17.944 -0.483 6.431 1.00 0.00 C ATOM 1682 C MET A 107 -16.900 -1.504 6.822 1.00 0.00 C ATOM 1683 O MET A 107 -17.225 -2.653 7.004 1.00 0.00 O ATOM 1684 CB MET A 107 -17.754 -0.109 4.962 1.00 0.00 C ATOM 1685 CG MET A 107 -18.582 -0.956 4.014 1.00 0.00 C ATOM 1686 SD MET A 107 -18.272 -0.562 2.283 1.00 0.00 S ATOM 1687 CE MET A 107 -18.941 1.099 2.188 1.00 0.00 C ATOM 0 H MET A 107 -17.360 1.466 6.920 1.00 0.00 H new ATOM 0 HA MET A 107 -18.956 -0.876 6.527 1.00 0.00 H new ATOM 0 HB2 MET A 107 -18.017 0.940 4.825 1.00 0.00 H new ATOM 0 HB3 MET A 107 -16.700 -0.210 4.702 1.00 0.00 H new ATOM 0 HG2 MET A 107 -18.363 -2.009 4.188 1.00 0.00 H new ATOM 0 HG3 MET A 107 -19.640 -0.810 4.232 1.00 0.00 H new ATOM 0 HE1 MET A 107 -19.069 1.380 1.143 1.00 0.00 H new ATOM 0 HE2 MET A 107 -19.906 1.132 2.694 1.00 0.00 H new ATOM 0 HE3 MET A 107 -18.255 1.796 2.670 1.00 0.00 H new ATOM 1697 N LYS A 108 -15.652 -1.045 7.000 1.00 0.00 N ATOM 1698 CA LYS A 108 -14.527 -1.904 7.381 1.00 0.00 C ATOM 1699 C LYS A 108 -14.888 -2.780 8.575 1.00 0.00 C ATOM 1700 O LYS A 108 -14.528 -3.951 8.629 1.00 0.00 O ATOM 1701 CB LYS A 108 -13.298 -1.043 7.718 1.00 0.00 C ATOM 1702 CG LYS A 108 -12.053 -1.845 8.074 1.00 0.00 C ATOM 1703 CD LYS A 108 -11.811 -1.892 9.574 1.00 0.00 C ATOM 1704 CE LYS A 108 -10.476 -1.265 9.942 1.00 0.00 C ATOM 1705 NZ LYS A 108 -10.081 -1.585 11.339 1.00 0.00 N ATOM 0 H LYS A 108 -15.397 -0.064 6.883 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.294 -2.553 6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.072 -0.402 6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -13.545 -0.387 8.553 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -12.155 -2.861 7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -11.186 -1.405 7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -12.615 -1.368 10.090 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -11.835 -2.927 9.915 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.707 -1.620 9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.537 -0.184 9.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -9.508 -0.807 11.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.934 -1.709 11.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.524 -2.463 11.350 1.00 0.00 H new ATOM 1719 N LYS A 109 -15.588 -2.197 9.533 1.00 0.00 N ATOM 1720 CA LYS A 109 -16.022 -2.925 10.723 1.00 0.00 C ATOM 1721 C LYS A 109 -16.938 -4.078 10.333 1.00 0.00 C ATOM 1722 O LYS A 109 -16.652 -5.238 10.631 1.00 0.00 O ATOM 1723 CB LYS A 109 -16.744 -1.985 11.692 1.00 0.00 C ATOM 1724 CG LYS A 109 -15.947 -0.740 12.043 1.00 0.00 C ATOM 1725 CD LYS A 109 -14.717 -1.079 12.861 1.00 0.00 C ATOM 1726 CE LYS A 109 -14.974 -0.891 14.348 1.00 0.00 C ATOM 1727 NZ LYS A 109 -13.748 -1.116 15.161 1.00 0.00 N ATOM 0 H LYS A 109 -15.871 -1.217 9.514 1.00 0.00 H new ATOM 0 HA LYS A 109 -15.140 -3.329 11.220 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -17.695 -1.685 11.252 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -16.974 -2.529 12.608 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.647 -0.229 11.128 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -16.578 -0.049 12.602 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.422 -2.111 12.668 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.885 -0.446 12.551 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.347 0.118 14.526 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.754 -1.581 14.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.969 -0.977 16.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.406 -2.087 15.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.011 -0.441 14.872 1.00 0.00 H new ATOM 1741 N ARG A 110 -18.027 -3.747 9.648 1.00 0.00 N ATOM 1742 CA ARG A 110 -18.985 -4.743 9.186 1.00 0.00 C ATOM 1743 C ARG A 110 -18.305 -5.681 8.203 1.00 0.00 C ATOM 1744 O ARG A 110 -18.568 -6.876 8.166 1.00 0.00 O ATOM 1745 CB ARG A 110 -20.150 -4.030 8.498 1.00 0.00 C ATOM 1746 CG ARG A 110 -21.343 -4.918 8.184 1.00 0.00 C ATOM 1747 CD ARG A 110 -22.483 -4.106 7.585 1.00 0.00 C ATOM 1748 NE ARG A 110 -23.515 -4.955 6.982 1.00 0.00 N ATOM 1749 CZ ARG A 110 -24.755 -4.548 6.704 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -25.145 -3.323 7.033 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -25.610 -5.372 6.104 1.00 0.00 N ATOM 0 H ARG A 110 -18.269 -2.788 9.399 1.00 0.00 H new ATOM 0 HA ARG A 110 -19.357 -5.321 10.032 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -20.483 -3.210 9.134 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -19.790 -3.587 7.569 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -21.045 -5.702 7.488 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -21.683 -5.413 9.094 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -22.933 -3.488 8.362 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -22.085 -3.429 6.829 1.00 0.00 H new ATOM 0 HE ARG A 110 -23.269 -5.920 6.761 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -24.496 -2.689 7.500 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -26.094 -3.015 6.819 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -25.318 -6.317 5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -26.557 -5.059 5.893 1.00 0.00 H new ATOM 1765 N LEU A 111 -17.404 -5.108 7.439 1.00 0.00 N ATOM 1766 CA LEU A 111 -16.643 -5.807 6.427 1.00 0.00 C ATOM 1767 C LEU A 111 -15.737 -6.858 7.014 1.00 0.00 C ATOM 1768 O LEU A 111 -15.686 -7.973 6.520 1.00 0.00 O ATOM 1769 CB LEU A 111 -15.828 -4.795 5.637 1.00 0.00 C ATOM 1770 CG LEU A 111 -16.536 -4.270 4.414 1.00 0.00 C ATOM 1771 CD1 LEU A 111 -15.892 -2.989 3.923 1.00 0.00 C ATOM 1772 CD2 LEU A 111 -16.579 -5.285 3.305 1.00 0.00 C ATOM 0 H LEU A 111 -17.173 -4.117 7.505 1.00 0.00 H new ATOM 0 HA LEU A 111 -17.344 -6.325 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.576 -3.958 6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -14.889 -5.256 5.332 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.563 -4.059 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -16.421 -2.631 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -15.941 -2.233 4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -14.850 -3.180 3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -17.098 -4.862 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -15.562 -5.554 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.107 -6.175 3.647 1.00 0.00 H new ATOM 1784 N ALA A 112 -15.028 -6.525 8.072 1.00 0.00 N ATOM 1785 CA ALA A 112 -14.129 -7.483 8.666 1.00 0.00 C ATOM 1786 C ALA A 112 -14.904 -8.537 9.424 1.00 0.00 C ATOM 1787 O ALA A 112 -14.344 -9.537 9.855 1.00 0.00 O ATOM 1788 CB ALA A 112 -13.107 -6.797 9.554 1.00 0.00 C ATOM 0 H ALA A 112 -15.057 -5.614 8.530 1.00 0.00 H new ATOM 0 HA ALA A 112 -13.580 -7.980 7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.443 -7.544 9.988 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.523 -6.093 8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -13.620 -6.260 10.352 1.00 0.00 H new ATOM 1794 N ASN A 113 -16.189 -8.294 9.618 1.00 0.00 N ATOM 1795 CA ASN A 113 -17.030 -9.262 10.285 1.00 0.00 C ATOM 1796 C ASN A 113 -17.820 -10.067 9.260 1.00 0.00 C ATOM 1797 O ASN A 113 -18.177 -11.210 9.509 1.00 0.00 O ATOM 1798 CB ASN A 113 -17.983 -8.595 11.277 1.00 0.00 C ATOM 1799 CG ASN A 113 -17.483 -8.665 12.711 1.00 0.00 C ATOM 1800 OD1 ASN A 113 -16.592 -9.456 13.038 1.00 0.00 O ATOM 1801 ND2 ASN A 113 -18.063 -7.854 13.585 1.00 0.00 N ATOM 0 H ASN A 113 -16.666 -7.441 9.325 1.00 0.00 H new ATOM 0 HA ASN A 113 -16.380 -9.932 10.848 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -18.121 -7.551 10.996 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -18.960 -9.074 11.214 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -17.777 -7.870 14.564 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -18.796 -7.214 13.279 1.00 0.00 H new ATOM 1808 N GLU A 114 -18.071 -9.468 8.097 1.00 0.00 N ATOM 1809 CA GLU A 114 -18.831 -10.120 7.038 1.00 0.00 C ATOM 1810 C GLU A 114 -17.918 -10.813 6.039 1.00 0.00 C ATOM 1811 O GLU A 114 -18.208 -11.928 5.603 1.00 0.00 O ATOM 1812 CB GLU A 114 -19.728 -9.115 6.319 1.00 0.00 C ATOM 1813 CG GLU A 114 -21.038 -8.853 7.047 1.00 0.00 C ATOM 1814 CD GLU A 114 -22.081 -8.182 6.176 1.00 0.00 C ATOM 1815 OE1 GLU A 114 -21.999 -8.298 4.935 1.00 0.00 O ATOM 1816 OE2 GLU A 114 -23.000 -7.544 6.731 1.00 0.00 O ATOM 0 H GLU A 114 -17.756 -8.526 7.866 1.00 0.00 H new ATOM 0 HA GLU A 114 -19.456 -10.880 7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -19.189 -8.174 6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -19.944 -9.483 5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -21.436 -9.798 7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -20.843 -8.227 7.918 1.00 0.00 H new ATOM 1823 N ALA A 115 -16.800 -10.181 5.678 1.00 0.00 N ATOM 1824 CA ALA A 115 -15.880 -10.803 4.733 1.00 0.00 C ATOM 1825 C ALA A 115 -15.117 -11.917 5.430 1.00 0.00 C ATOM 1826 O ALA A 115 -14.368 -12.677 4.815 1.00 0.00 O ATOM 1827 CB ALA A 115 -14.923 -9.777 4.158 1.00 0.00 C ATOM 0 H ALA A 115 -16.517 -9.262 6.017 1.00 0.00 H new ATOM 0 HA ALA A 115 -16.451 -11.224 3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -14.246 -10.264 3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -15.488 -9.003 3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -14.345 -9.326 4.965 1.00 0.00 H new ATOM 1833 N LYS A 116 -15.341 -12.005 6.725 1.00 0.00 N ATOM 1834 CA LYS A 116 -14.700 -12.992 7.559 1.00 0.00 C ATOM 1835 C LYS A 116 -15.620 -14.189 7.795 1.00 0.00 C ATOM 1836 O LYS A 116 -15.200 -15.208 8.342 1.00 0.00 O ATOM 1837 CB LYS A 116 -14.280 -12.316 8.869 1.00 0.00 C ATOM 1838 CG LYS A 116 -15.127 -12.654 10.093 1.00 0.00 C ATOM 1839 CD LYS A 116 -14.327 -12.453 11.374 1.00 0.00 C ATOM 1840 CE LYS A 116 -15.002 -13.085 12.581 1.00 0.00 C ATOM 1841 NZ LYS A 116 -16.086 -12.229 13.120 1.00 0.00 N ATOM 0 H LYS A 116 -15.978 -11.388 7.229 1.00 0.00 H new ATOM 0 HA LYS A 116 -13.812 -13.385 7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -13.246 -12.587 9.080 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -14.303 -11.236 8.722 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -16.016 -12.024 10.111 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -15.469 -13.687 10.030 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -13.333 -12.883 11.250 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -14.193 -11.386 11.553 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -15.411 -14.056 12.301 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -14.260 -13.264 13.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -16.118 -12.321 14.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -15.904 -11.237 12.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -16.997 -12.528 12.717 1.00 0.00 H new ATOM 1855 N GLU A 117 -16.869 -14.077 7.351 1.00 0.00 N ATOM 1856 CA GLU A 117 -17.821 -15.165 7.514 1.00 0.00 C ATOM 1857 C GLU A 117 -18.365 -15.625 6.165 1.00 0.00 C ATOM 1858 O GLU A 117 -18.265 -16.800 5.819 1.00 0.00 O ATOM 1859 CB GLU A 117 -18.965 -14.773 8.458 1.00 0.00 C ATOM 1860 CG GLU A 117 -19.577 -13.406 8.198 1.00 0.00 C ATOM 1861 CD GLU A 117 -20.917 -13.245 8.885 1.00 0.00 C ATOM 1862 OE1 GLU A 117 -21.779 -12.518 8.355 1.00 0.00 O ATOM 1863 OE2 GLU A 117 -21.119 -13.852 9.957 1.00 0.00 O ATOM 0 H GLU A 117 -17.240 -13.252 6.881 1.00 0.00 H new ATOM 0 HA GLU A 117 -17.288 -16.001 7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -19.750 -15.525 8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -18.595 -14.799 9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -18.895 -12.631 8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -19.700 -13.262 7.125 1.00 0.00 H new ATOM 1870 N ALA A 118 -18.906 -14.692 5.395 1.00 0.00 N ATOM 1871 CA ALA A 118 -19.463 -15.013 4.087 1.00 0.00 C ATOM 1872 C ALA A 118 -18.354 -15.135 3.047 1.00 0.00 C ATOM 1873 O ALA A 118 -17.883 -14.133 2.502 1.00 0.00 O ATOM 1874 CB ALA A 118 -20.478 -13.959 3.671 1.00 0.00 C ATOM 0 H ALA A 118 -18.972 -13.707 5.652 1.00 0.00 H new ATOM 0 HA ALA A 118 -19.973 -15.974 4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -20.885 -14.212 2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -21.286 -13.923 4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -19.991 -12.985 3.620 1.00 0.00 H new ATOM 1880 N LYS A 119 -17.939 -16.364 2.775 1.00 0.00 N ATOM 1881 CA LYS A 119 -16.878 -16.615 1.809 1.00 0.00 C ATOM 1882 C LYS A 119 -17.092 -17.950 1.105 1.00 0.00 C ATOM 1883 O LYS A 119 -17.473 -18.941 1.731 1.00 0.00 O ATOM 1884 CB LYS A 119 -15.519 -16.607 2.513 1.00 0.00 C ATOM 1885 CG LYS A 119 -14.324 -16.669 1.572 1.00 0.00 C ATOM 1886 CD LYS A 119 -13.005 -16.596 2.331 1.00 0.00 C ATOM 1887 CE LYS A 119 -12.791 -15.228 2.967 1.00 0.00 C ATOM 1888 NZ LYS A 119 -13.259 -15.178 4.380 1.00 0.00 N ATOM 0 H LYS A 119 -18.321 -17.204 3.210 1.00 0.00 H new ATOM 0 HA LYS A 119 -16.900 -15.824 1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -15.443 -15.704 3.119 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -15.472 -17.455 3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.362 -17.594 0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -14.379 -15.847 0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -12.989 -17.363 3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.182 -16.813 1.650 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -11.732 -14.975 2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -13.320 -14.473 2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -13.898 -14.367 4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -13.765 -16.057 4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -12.441 -15.075 5.013 1.00 0.00 H new ATOM 1902 N LYS A 120 -16.854 -17.957 -0.195 1.00 0.00 N ATOM 1903 CA LYS A 120 -16.995 -19.147 -1.011 1.00 0.00 C ATOM 1904 C LYS A 120 -16.091 -19.026 -2.230 1.00 0.00 C ATOM 1905 O LYS A 120 -15.288 -19.949 -2.476 1.00 0.00 O ATOM 1906 CB LYS A 120 -18.457 -19.330 -1.439 1.00 0.00 C ATOM 1907 CG LYS A 120 -18.687 -20.475 -2.415 1.00 0.00 C ATOM 1908 CD LYS A 120 -18.097 -21.780 -1.902 1.00 0.00 C ATOM 1909 CE LYS A 120 -17.964 -22.798 -3.017 1.00 0.00 C ATOM 1910 NZ LYS A 120 -16.951 -23.840 -2.701 1.00 0.00 N ATOM 1911 OXT LYS A 120 -16.169 -17.983 -2.913 1.00 0.00 O ATOM 0 H LYS A 120 -16.556 -17.132 -0.716 1.00 0.00 H new ATOM 0 HA LYS A 120 -16.702 -20.022 -0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -19.065 -19.499 -0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -18.808 -18.404 -1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -19.757 -20.601 -2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -18.240 -20.227 -3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -17.119 -21.591 -1.460 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -18.731 -22.183 -1.112 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -18.930 -23.272 -3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -17.686 -22.290 -3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -16.891 -24.516 -3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -16.024 -23.391 -2.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -17.229 -24.343 -1.834 1.00 0.00 H new TER 1925 LYS A 120