USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1024 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 88 THR OG1 : rot 130:sc= -2.17 USER MOD Set 1.2: A 90 GLN : amide:sc= -1.68 K(o=-3.9,f=-5.8!) USER MOD Set 2.1: A 47 MET CE :methyl 139:sc= -5.13! (180deg=-3.27!) USER MOD Set 2.2: A 52 HIS : no HE2:sc= -15! C(o=-20!,f=-34!) USER MOD Set 2.3: A 79 THR OG1 : rot 87:sc= -0.198 USER MOD Set 3.1: A 44 MET CE :methyl -156:sc= -1.39 (180deg=-2.47!) USER MOD Set 3.2: A 64 MET CE :methyl -132:sc= -0.377 (180deg=-0.906) USER MOD Single : A 1 MET CE :methyl 171:sc= 0 (180deg=-0.109) USER MOD Single : A 1 MET N :NH3+ -134:sc= -0.187 (180deg=-1.17) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.89 K(o=-1.9,f=-6.1!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -164:sc= -0.386 USER MOD Single : A 27 GLN : amide:sc= -0.121 K(o=-0.12,f=-2.1!) USER MOD Single : A 28 GLN : amide:sc= -0.0646 K(o=-0.065,f=-1.2) USER MOD Single : A 32 LYS NZ :NH3+ 149:sc= -0.0416 (180deg=-1.11) USER MOD Single : A 33 GLN : amide:sc= -0.555 K(o=-0.55,f=-2.3!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.211 K(o=-0.21,f=-0.9) USER MOD Single : A 50 ASN : amide:sc= -5.45! C(o=-5.4!,f=-10!) USER MOD Single : A 53 HIS : no HD1:sc= -0.554 X(o=-0.55,f=-0.1) USER MOD Single : A 57 SER OG : rot 180:sc= -0.757 USER MOD Single : A 60 ASN : amide:sc= -2.06! C(o=-2.1!,f=-2!) USER MOD Single : A 61 MET CE :methyl -161:sc= -0.0791 (180deg=-0.706) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -1.4 F(o=-1.9!,f=-1.4) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.0073 X(o=-0.0073,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -3.54! C(o=-3.5!,f=-3.4!) USER MOD Single : A 106 ASN : amide:sc= -0.156 K(o=-0.16,f=-1.1) USER MOD Single : A 110 LYS NZ :NH3+ -172:sc= -4.75! (180deg=-4.94!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 156:sc= -1.96! (180deg=-3.72!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.762 18.139 9.503 1.00 0.00 N ATOM 2 CA MET A 1 14.017 17.021 8.612 1.00 0.00 C ATOM 3 C MET A 1 13.472 17.301 7.209 1.00 0.00 C ATOM 4 O MET A 1 14.025 18.120 6.477 1.00 0.00 O ATOM 5 CB MET A 1 13.358 15.759 9.173 1.00 0.00 C ATOM 6 CG MET A 1 13.933 15.405 10.546 1.00 0.00 C ATOM 7 SD MET A 1 12.843 14.270 11.390 1.00 0.00 S ATOM 8 CE MET A 1 13.107 12.801 10.409 1.00 0.00 C ATOM 0 H1 MET A 1 14.625 18.358 10.041 1.00 0.00 H new ATOM 0 H2 MET A 1 13.482 18.971 8.945 1.00 0.00 H new ATOM 0 H3 MET A 1 12.997 17.890 10.162 1.00 0.00 H new ATOM 0 HA MET A 1 15.095 16.878 8.541 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.282 15.911 9.254 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.511 14.928 8.485 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.920 14.957 10.432 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.060 16.310 11.140 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.626 11.950 10.891 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.680 12.945 9.416 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.176 12.610 10.320 1.00 0.00 H new ATOM 18 N SER A 2 12.395 16.604 6.879 1.00 0.00 N ATOM 19 CA SER A 2 11.768 16.767 5.578 1.00 0.00 C ATOM 20 C SER A 2 10.246 16.740 5.723 1.00 0.00 C ATOM 21 O SER A 2 9.543 17.522 5.083 1.00 0.00 O ATOM 22 CB SER A 2 12.229 15.681 4.604 1.00 0.00 C ATOM 23 OG SER A 2 12.608 16.222 3.341 1.00 0.00 O ATOM 0 H SER A 2 11.940 15.925 7.490 1.00 0.00 H new ATOM 0 HA SER A 2 12.070 17.732 5.172 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.072 15.142 5.035 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.427 14.957 4.462 1.00 0.00 H new ATOM 0 HG SER A 2 12.898 15.497 2.748 1.00 0.00 H new ATOM 29 N LEU A 3 9.781 15.831 6.567 1.00 0.00 N ATOM 30 CA LEU A 3 8.354 15.691 6.804 1.00 0.00 C ATOM 31 C LEU A 3 8.121 15.273 8.257 1.00 0.00 C ATOM 32 O LEU A 3 8.409 14.137 8.634 1.00 0.00 O ATOM 33 CB LEU A 3 7.732 14.737 5.782 1.00 0.00 C ATOM 34 CG LEU A 3 6.562 15.296 4.969 1.00 0.00 C ATOM 35 CD1 LEU A 3 5.659 16.174 5.838 1.00 0.00 C ATOM 36 CD2 LEU A 3 7.062 16.039 3.728 1.00 0.00 C ATOM 0 H LEU A 3 10.367 15.184 7.095 1.00 0.00 H new ATOM 0 HA LEU A 3 7.849 16.646 6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.511 14.420 5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.390 13.845 6.308 1.00 0.00 H new ATOM 0 HG LEU A 3 5.957 14.458 4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.836 16.558 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.260 15.582 6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.237 17.008 6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.211 16.426 3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.702 16.867 4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.629 15.354 3.098 1.00 0.00 H new ATOM 48 N ALA A 4 7.603 16.213 9.035 1.00 0.00 N ATOM 49 CA ALA A 4 7.329 15.955 10.439 1.00 0.00 C ATOM 50 C ALA A 4 6.438 14.717 10.561 1.00 0.00 C ATOM 51 O ALA A 4 6.589 13.930 11.495 1.00 0.00 O ATOM 52 CB ALA A 4 6.693 17.195 11.070 1.00 0.00 C ATOM 0 H ALA A 4 7.366 17.154 8.720 1.00 0.00 H new ATOM 0 HA ALA A 4 8.253 15.751 10.980 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.487 17.002 12.123 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.377 18.039 10.982 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.761 17.428 10.555 1.00 0.00 H new ATOM 58 N GLU A 5 5.531 14.583 9.605 1.00 0.00 N ATOM 59 CA GLU A 5 4.617 13.453 9.594 1.00 0.00 C ATOM 60 C GLU A 5 5.189 12.315 8.747 1.00 0.00 C ATOM 61 O GLU A 5 5.171 11.157 9.163 1.00 0.00 O ATOM 62 CB GLU A 5 3.235 13.871 9.087 1.00 0.00 C ATOM 63 CG GLU A 5 2.318 14.254 10.250 1.00 0.00 C ATOM 64 CD GLU A 5 0.871 14.410 9.779 1.00 0.00 C ATOM 65 OE1 GLU A 5 0.632 15.341 8.978 1.00 0.00 O ATOM 66 OE2 GLU A 5 0.036 13.597 10.229 1.00 0.00 O ATOM 0 H GLU A 5 5.409 15.238 8.833 1.00 0.00 H new ATOM 0 HA GLU A 5 4.501 13.095 10.617 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.334 14.715 8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.789 13.053 8.521 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.371 13.491 11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.661 15.187 10.696 1.00 0.00 H new ATOM 73 N LYS A 6 5.686 12.683 7.575 1.00 0.00 N ATOM 74 CA LYS A 6 6.263 11.707 6.666 1.00 0.00 C ATOM 75 C LYS A 6 5.414 10.434 6.685 1.00 0.00 C ATOM 76 O LYS A 6 5.918 9.344 6.418 1.00 0.00 O ATOM 77 CB LYS A 6 7.736 11.469 7.001 1.00 0.00 C ATOM 78 CG LYS A 6 7.882 10.526 8.196 1.00 0.00 C ATOM 79 CD LYS A 6 9.355 10.300 8.541 1.00 0.00 C ATOM 80 CE LYS A 6 9.832 8.934 8.045 1.00 0.00 C ATOM 81 NZ LYS A 6 9.959 7.988 9.176 1.00 0.00 N ATOM 0 H LYS A 6 5.701 13.644 7.234 1.00 0.00 H new ATOM 0 HA LYS A 6 6.249 12.084 5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.246 11.046 6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.220 12.420 7.223 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.363 10.944 9.059 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.407 9.571 7.970 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.962 11.086 8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.494 10.368 9.620 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.128 8.541 7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.793 9.039 7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.284 7.066 8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.648 8.358 9.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.035 7.875 9.640 1.00 0.00 H new ATOM 95 N ILE A 7 4.141 10.615 7.006 1.00 0.00 N ATOM 96 CA ILE A 7 3.218 9.494 7.063 1.00 0.00 C ATOM 97 C ILE A 7 2.039 9.760 6.125 1.00 0.00 C ATOM 98 O ILE A 7 1.045 10.362 6.528 1.00 0.00 O ATOM 99 CB ILE A 7 2.802 9.216 8.511 1.00 0.00 C ATOM 100 CG1 ILE A 7 1.813 8.053 8.582 1.00 0.00 C ATOM 101 CG2 ILE A 7 2.251 10.480 9.173 1.00 0.00 C ATOM 102 CD1 ILE A 7 2.546 6.711 8.626 1.00 0.00 C ATOM 0 H ILE A 7 3.727 11.520 7.229 1.00 0.00 H new ATOM 0 HA ILE A 7 3.704 8.583 6.714 1.00 0.00 H new ATOM 0 HB ILE A 7 3.688 8.919 9.072 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.186 8.158 9.467 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.150 8.081 7.717 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.963 10.257 10.200 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.017 11.255 9.172 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.380 10.830 8.620 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.819 5.901 8.676 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.153 6.598 7.728 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.189 6.676 9.505 1.00 0.00 H new ATOM 114 N LYS A 8 2.190 9.298 4.892 1.00 0.00 N ATOM 115 CA LYS A 8 1.150 9.479 3.894 1.00 0.00 C ATOM 116 C LYS A 8 0.764 8.117 3.314 1.00 0.00 C ATOM 117 O LYS A 8 1.629 7.285 3.045 1.00 0.00 O ATOM 118 CB LYS A 8 1.592 10.494 2.837 1.00 0.00 C ATOM 119 CG LYS A 8 0.718 11.750 2.885 1.00 0.00 C ATOM 120 CD LYS A 8 1.479 12.967 2.356 1.00 0.00 C ATOM 121 CE LYS A 8 0.657 13.713 1.304 1.00 0.00 C ATOM 122 NZ LYS A 8 0.874 15.174 1.415 1.00 0.00 N ATOM 0 H LYS A 8 3.016 8.799 4.562 1.00 0.00 H new ATOM 0 HA LYS A 8 0.253 9.898 4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.635 10.765 3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.533 10.043 1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.183 11.594 2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.396 11.935 3.910 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.716 13.639 3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.427 12.648 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.937 13.373 0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.401 13.486 1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.308 15.665 0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.585 15.497 2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.881 15.387 1.269 1.00 0.00 H new ATOM 136 N VAL A 9 -0.536 7.932 3.138 1.00 0.00 N ATOM 137 CA VAL A 9 -1.047 6.684 2.595 1.00 0.00 C ATOM 138 C VAL A 9 -1.405 6.884 1.120 1.00 0.00 C ATOM 139 O VAL A 9 -2.140 7.807 0.776 1.00 0.00 O ATOM 140 CB VAL A 9 -2.228 6.193 3.434 1.00 0.00 C ATOM 141 CG1 VAL A 9 -2.577 4.743 3.093 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.941 6.350 4.929 1.00 0.00 C ATOM 0 H VAL A 9 -1.251 8.625 3.361 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.285 5.906 2.643 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.092 6.812 3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.420 4.418 3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.844 4.671 2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.717 4.105 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.796 5.994 5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.058 5.767 5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.763 7.401 5.157 1.00 0.00 H new ATOM 152 N LEU A 10 -0.867 6.002 0.290 1.00 0.00 N ATOM 153 CA LEU A 10 -1.120 6.071 -1.140 1.00 0.00 C ATOM 154 C LEU A 10 -2.019 4.902 -1.549 1.00 0.00 C ATOM 155 O LEU A 10 -1.632 3.742 -1.422 1.00 0.00 O ATOM 156 CB LEU A 10 0.197 6.134 -1.914 1.00 0.00 C ATOM 157 CG LEU A 10 0.165 5.579 -3.340 1.00 0.00 C ATOM 158 CD1 LEU A 10 0.764 4.172 -3.394 1.00 0.00 C ATOM 159 CD2 LEU A 10 -1.253 5.621 -3.913 1.00 0.00 C ATOM 0 H LEU A 10 -0.258 5.237 0.580 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.653 6.988 -1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.520 7.174 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.953 5.588 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 10 0.785 6.217 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.729 3.801 -4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.799 4.204 -3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.191 3.507 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.248 5.221 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.915 5.020 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.608 6.652 -3.931 1.00 0.00 H new ATOM 171 N ILE A 11 -3.202 5.250 -2.034 1.00 0.00 N ATOM 172 CA ILE A 11 -4.159 4.244 -2.465 1.00 0.00 C ATOM 173 C ILE A 11 -4.752 4.655 -3.814 1.00 0.00 C ATOM 174 O ILE A 11 -5.522 5.610 -3.893 1.00 0.00 O ATOM 175 CB ILE A 11 -5.210 4.006 -1.378 1.00 0.00 C ATOM 176 CG1 ILE A 11 -6.211 5.161 -1.321 1.00 0.00 C ATOM 177 CG2 ILE A 11 -4.549 3.753 -0.022 1.00 0.00 C ATOM 178 CD1 ILE A 11 -7.385 4.917 -2.271 1.00 0.00 C ATOM 0 H ILE A 11 -3.520 6.214 -2.138 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.663 3.285 -2.614 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.770 3.107 -1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.581 5.276 -0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.712 6.093 -1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.318 3.587 0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.909 2.873 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.948 4.619 0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.082 5.753 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.014 4.827 -3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.897 3.997 -1.988 1.00 0.00 H new ATOM 190 N VAL A 12 -4.368 3.912 -4.843 1.00 0.00 N ATOM 191 CA VAL A 12 -4.852 4.187 -6.185 1.00 0.00 C ATOM 192 C VAL A 12 -5.303 2.879 -6.837 1.00 0.00 C ATOM 193 O VAL A 12 -4.563 1.896 -6.844 1.00 0.00 O ATOM 194 CB VAL A 12 -3.775 4.916 -6.990 1.00 0.00 C ATOM 195 CG1 VAL A 12 -2.514 4.060 -7.120 1.00 0.00 C ATOM 196 CG2 VAL A 12 -4.303 5.327 -8.366 1.00 0.00 C ATOM 0 H VAL A 12 -3.728 3.121 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.717 4.849 -6.151 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.509 5.824 -6.448 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.764 4.602 -7.697 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.120 3.840 -6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.758 3.127 -7.628 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.517 5.843 -8.918 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.610 4.439 -8.918 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.158 5.992 -8.244 1.00 0.00 H new ATOM 206 N ASP A 13 -6.516 2.907 -7.370 1.00 0.00 N ATOM 207 CA ASP A 13 -7.075 1.736 -8.023 1.00 0.00 C ATOM 208 C ASP A 13 -7.816 2.169 -9.289 1.00 0.00 C ATOM 209 O ASP A 13 -8.448 3.224 -9.314 1.00 0.00 O ATOM 210 CB ASP A 13 -8.074 1.020 -7.112 1.00 0.00 C ATOM 211 CG ASP A 13 -7.496 0.519 -5.787 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.158 1.385 -4.951 1.00 0.00 O ATOM 213 OD2 ASP A 13 -7.406 -0.719 -5.639 1.00 0.00 O ATOM 0 H ASP A 13 -7.128 3.723 -7.363 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.254 1.059 -8.260 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.899 1.699 -6.898 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.492 0.171 -7.653 1.00 0.00 H new ATOM 218 N ASP A 14 -7.714 1.331 -10.312 1.00 0.00 N ATOM 219 CA ASP A 14 -8.367 1.614 -11.578 1.00 0.00 C ATOM 220 C ASP A 14 -9.854 1.874 -11.334 1.00 0.00 C ATOM 221 O ASP A 14 -10.398 2.875 -11.798 1.00 0.00 O ATOM 222 CB ASP A 14 -8.246 0.428 -12.537 1.00 0.00 C ATOM 223 CG ASP A 14 -8.147 0.801 -14.018 1.00 0.00 C ATOM 224 OD1 ASP A 14 -7.262 1.623 -14.337 1.00 0.00 O ATOM 225 OD2 ASP A 14 -8.958 0.254 -14.797 1.00 0.00 O ATOM 0 H ASP A 14 -7.189 0.457 -10.289 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.883 2.486 -12.019 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.364 -0.152 -12.264 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.110 -0.222 -12.398 1.00 0.00 H new ATOM 230 N GLN A 15 -10.471 0.956 -10.604 1.00 0.00 N ATOM 231 CA GLN A 15 -11.886 1.074 -10.291 1.00 0.00 C ATOM 232 C GLN A 15 -12.083 1.928 -9.038 1.00 0.00 C ATOM 233 O GLN A 15 -11.294 1.849 -8.098 1.00 0.00 O ATOM 234 CB GLN A 15 -12.527 -0.305 -10.122 1.00 0.00 C ATOM 235 CG GLN A 15 -13.806 -0.421 -10.953 1.00 0.00 C ATOM 236 CD GLN A 15 -15.048 -0.296 -10.067 1.00 0.00 C ATOM 237 OE1 GLN A 15 -15.527 0.787 -9.775 1.00 0.00 O ATOM 238 NE2 GLN A 15 -15.539 -1.462 -9.656 1.00 0.00 N ATOM 0 H GLN A 15 -10.017 0.127 -10.220 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.383 1.569 -11.125 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.821 -1.078 -10.425 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.756 -0.477 -9.070 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.820 0.357 -11.717 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.821 -1.379 -11.473 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.089 -2.333 -9.938 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.366 -1.485 -9.059 1.00 0.00 H new ATOM 247 N VAL A 16 -13.141 2.726 -9.064 1.00 0.00 N ATOM 248 CA VAL A 16 -13.452 3.594 -7.942 1.00 0.00 C ATOM 249 C VAL A 16 -13.927 2.744 -6.761 1.00 0.00 C ATOM 250 O VAL A 16 -13.530 2.982 -5.622 1.00 0.00 O ATOM 251 CB VAL A 16 -14.472 4.652 -8.366 1.00 0.00 C ATOM 252 CG1 VAL A 16 -15.248 5.181 -7.158 1.00 0.00 C ATOM 253 CG2 VAL A 16 -13.794 5.795 -9.124 1.00 0.00 C ATOM 0 H VAL A 16 -13.794 2.789 -9.845 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.562 4.132 -7.617 1.00 0.00 H new ATOM 0 HB VAL A 16 -15.184 4.178 -9.041 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.966 5.932 -7.487 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.777 4.359 -6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.554 5.630 -6.448 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.542 6.533 -9.414 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.049 6.266 -8.482 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.308 5.402 -10.017 1.00 0.00 H new ATOM 263 N THR A 17 -14.770 1.772 -7.076 1.00 0.00 N ATOM 264 CA THR A 17 -15.304 0.886 -6.055 1.00 0.00 C ATOM 265 C THR A 17 -14.166 0.194 -5.303 1.00 0.00 C ATOM 266 O THR A 17 -14.261 -0.032 -4.098 1.00 0.00 O ATOM 267 CB THR A 17 -16.266 -0.091 -6.734 1.00 0.00 C ATOM 268 OG1 THR A 17 -17.540 0.242 -6.188 1.00 0.00 O ATOM 269 CG2 THR A 17 -16.039 -1.539 -6.294 1.00 0.00 C ATOM 0 H THR A 17 -15.096 1.578 -8.023 1.00 0.00 H new ATOM 0 HA THR A 17 -15.861 1.441 -5.300 1.00 0.00 H new ATOM 0 HB THR A 17 -16.153 -0.019 -7.816 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.225 -0.343 -6.575 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.748 -2.190 -6.806 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.022 -1.841 -6.546 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.185 -1.619 -5.217 1.00 0.00 H new ATOM 277 N SER A 18 -13.116 -0.125 -6.045 1.00 0.00 N ATOM 278 CA SER A 18 -11.961 -0.787 -5.463 1.00 0.00 C ATOM 279 C SER A 18 -11.177 0.197 -4.593 1.00 0.00 C ATOM 280 O SER A 18 -10.968 -0.050 -3.405 1.00 0.00 O ATOM 281 CB SER A 18 -11.056 -1.374 -6.549 1.00 0.00 C ATOM 282 OG SER A 18 -11.805 -1.877 -7.652 1.00 0.00 O ATOM 0 H SER A 18 -13.041 0.063 -7.045 1.00 0.00 H new ATOM 0 HA SER A 18 -12.316 -1.609 -4.841 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.365 -0.607 -6.899 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.453 -2.176 -6.124 1.00 0.00 H new ATOM 0 HG SER A 18 -11.235 -2.459 -8.196 1.00 0.00 H new ATOM 288 N ARG A 19 -10.764 1.289 -5.217 1.00 0.00 N ATOM 289 CA ARG A 19 -10.007 2.312 -4.514 1.00 0.00 C ATOM 290 C ARG A 19 -10.851 2.921 -3.393 1.00 0.00 C ATOM 291 O ARG A 19 -10.315 3.369 -2.381 1.00 0.00 O ATOM 292 CB ARG A 19 -9.563 3.422 -5.469 1.00 0.00 C ATOM 293 CG ARG A 19 -9.715 4.798 -4.818 1.00 0.00 C ATOM 294 CD ARG A 19 -11.171 5.269 -4.864 1.00 0.00 C ATOM 295 NE ARG A 19 -11.229 6.695 -5.254 1.00 0.00 N ATOM 296 CZ ARG A 19 -11.056 7.715 -4.402 1.00 0.00 C ATOM 297 NH1 ARG A 19 -10.812 7.471 -3.107 1.00 0.00 N ATOM 298 NH2 ARG A 19 -11.127 8.978 -4.845 1.00 0.00 N ATOM 0 H ARG A 19 -10.939 1.489 -6.202 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.122 1.837 -4.090 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.524 3.265 -5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.157 3.380 -6.382 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.376 4.754 -3.783 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.079 5.519 -5.331 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.735 4.666 -5.575 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.638 5.131 -3.889 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.412 6.916 -6.233 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.758 6.510 -2.771 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.680 8.247 -2.458 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.313 9.163 -5.831 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.995 9.754 -4.196 1.00 0.00 H new ATOM 312 N LEU A 20 -12.158 2.917 -3.611 1.00 0.00 N ATOM 313 CA LEU A 20 -13.081 3.463 -2.631 1.00 0.00 C ATOM 314 C LEU A 20 -13.166 2.516 -1.432 1.00 0.00 C ATOM 315 O LEU A 20 -13.138 2.956 -0.284 1.00 0.00 O ATOM 316 CB LEU A 20 -14.437 3.759 -3.277 1.00 0.00 C ATOM 317 CG LEU A 20 -15.574 4.114 -2.319 1.00 0.00 C ATOM 318 CD1 LEU A 20 -16.450 5.229 -2.895 1.00 0.00 C ATOM 319 CD2 LEU A 20 -16.392 2.873 -1.955 1.00 0.00 C ATOM 0 H LEU A 20 -12.599 2.544 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.716 4.420 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.310 4.583 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.738 2.888 -3.859 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.136 4.494 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.251 5.462 -2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.843 6.119 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.881 4.901 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.194 3.153 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.820 2.441 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.746 2.140 -1.473 1.00 0.00 H new ATOM 331 N LEU A 21 -13.268 1.232 -1.740 1.00 0.00 N ATOM 332 CA LEU A 21 -13.356 0.217 -0.703 1.00 0.00 C ATOM 333 C LEU A 21 -12.119 0.300 0.193 1.00 0.00 C ATOM 334 O LEU A 21 -12.235 0.473 1.405 1.00 0.00 O ATOM 335 CB LEU A 21 -13.576 -1.165 -1.321 1.00 0.00 C ATOM 336 CG LEU A 21 -14.998 -1.468 -1.797 1.00 0.00 C ATOM 337 CD1 LEU A 21 -14.992 -2.518 -2.910 1.00 0.00 C ATOM 338 CD2 LEU A 21 -15.892 -1.881 -0.625 1.00 0.00 C ATOM 0 H LEU A 21 -13.292 0.870 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.223 0.397 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.899 -1.274 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.291 -1.919 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.419 -0.555 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.015 -2.715 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.412 -2.148 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.544 -3.440 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.897 -2.091 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.484 -2.775 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.933 -1.072 0.104 1.00 0.00 H new ATOM 350 N LEU A 22 -10.961 0.173 -0.439 1.00 0.00 N ATOM 351 CA LEU A 22 -9.702 0.232 0.285 1.00 0.00 C ATOM 352 C LEU A 22 -9.635 1.541 1.075 1.00 0.00 C ATOM 353 O LEU A 22 -9.339 1.534 2.270 1.00 0.00 O ATOM 354 CB LEU A 22 -8.525 0.028 -0.670 1.00 0.00 C ATOM 355 CG LEU A 22 -8.644 0.706 -2.037 1.00 0.00 C ATOM 356 CD1 LEU A 22 -7.757 1.950 -2.111 1.00 0.00 C ATOM 357 CD2 LEU A 22 -8.343 -0.282 -3.166 1.00 0.00 C ATOM 0 H LEU A 22 -10.868 0.029 -1.445 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.639 -0.581 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.621 0.393 -0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.392 -1.042 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.674 1.038 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.860 2.413 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.061 2.660 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.717 1.665 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.434 0.225 -4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.329 -0.666 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.051 -1.110 -3.123 1.00 0.00 H new ATOM 369 N GLY A 23 -9.913 2.631 0.377 1.00 0.00 N ATOM 370 CA GLY A 23 -9.887 3.945 0.998 1.00 0.00 C ATOM 371 C GLY A 23 -10.943 4.051 2.101 1.00 0.00 C ATOM 372 O GLY A 23 -10.765 4.792 3.065 1.00 0.00 O ATOM 0 H GLY A 23 -10.158 2.632 -0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.898 4.134 1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.066 4.711 0.244 1.00 0.00 H new ATOM 376 N ASP A 24 -12.018 3.298 1.921 1.00 0.00 N ATOM 377 CA ASP A 24 -13.102 3.298 2.887 1.00 0.00 C ATOM 378 C ASP A 24 -12.697 2.460 4.101 1.00 0.00 C ATOM 379 O ASP A 24 -12.856 2.893 5.242 1.00 0.00 O ATOM 380 CB ASP A 24 -14.371 2.685 2.292 1.00 0.00 C ATOM 381 CG ASP A 24 -15.638 2.886 3.126 1.00 0.00 C ATOM 382 OD1 ASP A 24 -15.882 2.029 4.003 1.00 0.00 O ATOM 383 OD2 ASP A 24 -16.335 3.891 2.867 1.00 0.00 O ATOM 0 H ASP A 24 -12.161 2.683 1.120 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.300 4.332 3.171 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.534 3.112 1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.210 1.616 2.155 1.00 0.00 H new ATOM 388 N ALA A 25 -12.180 1.273 3.816 1.00 0.00 N ATOM 389 CA ALA A 25 -11.751 0.370 4.869 1.00 0.00 C ATOM 390 C ALA A 25 -10.672 1.054 5.713 1.00 0.00 C ATOM 391 O ALA A 25 -10.745 1.050 6.940 1.00 0.00 O ATOM 392 CB ALA A 25 -11.264 -0.941 4.252 1.00 0.00 C ATOM 0 H ALA A 25 -12.049 0.916 2.869 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.584 0.129 5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.942 -1.618 5.043 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.075 -1.401 3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.427 -0.740 3.584 1.00 0.00 H new ATOM 398 N LEU A 26 -9.699 1.624 5.020 1.00 0.00 N ATOM 399 CA LEU A 26 -8.606 2.310 5.690 1.00 0.00 C ATOM 400 C LEU A 26 -9.126 3.614 6.298 1.00 0.00 C ATOM 401 O LEU A 26 -8.577 4.106 7.284 1.00 0.00 O ATOM 402 CB LEU A 26 -7.429 2.505 4.734 1.00 0.00 C ATOM 403 CG LEU A 26 -6.345 1.425 4.775 1.00 0.00 C ATOM 404 CD1 LEU A 26 -5.425 1.619 5.982 1.00 0.00 C ATOM 405 CD2 LEU A 26 -6.963 0.026 4.745 1.00 0.00 C ATOM 0 H LEU A 26 -9.643 1.626 4.002 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.222 1.704 6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.818 2.563 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.964 3.466 4.953 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.730 1.524 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.664 0.839 5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.944 2.595 5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.011 1.561 6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.171 -0.722 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.616 -0.102 5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.543 -0.096 3.830 1.00 0.00 H new ATOM 417 N GLN A 27 -10.178 4.137 5.686 1.00 0.00 N ATOM 418 CA GLN A 27 -10.777 5.375 6.155 1.00 0.00 C ATOM 419 C GLN A 27 -11.290 5.208 7.586 1.00 0.00 C ATOM 420 O GLN A 27 -11.010 6.036 8.451 1.00 0.00 O ATOM 421 CB GLN A 27 -11.900 5.829 5.220 1.00 0.00 C ATOM 422 CG GLN A 27 -11.423 6.950 4.294 1.00 0.00 C ATOM 423 CD GLN A 27 -11.743 8.324 4.886 1.00 0.00 C ATOM 424 OE1 GLN A 27 -12.280 8.450 5.975 1.00 0.00 O ATOM 425 NE2 GLN A 27 -11.385 9.344 4.112 1.00 0.00 N ATOM 0 H GLN A 27 -10.631 3.726 4.870 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.011 6.150 6.153 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.247 4.984 4.625 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.750 6.175 5.808 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.349 6.861 4.133 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.901 6.850 3.320 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.939 9.169 3.211 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.556 10.302 4.419 1.00 0.00 H new ATOM 434 N GLN A 28 -12.032 4.129 7.793 1.00 0.00 N ATOM 435 CA GLN A 28 -12.586 3.842 9.105 1.00 0.00 C ATOM 436 C GLN A 28 -11.463 3.600 10.115 1.00 0.00 C ATOM 437 O GLN A 28 -11.703 3.570 11.320 1.00 0.00 O ATOM 438 CB GLN A 28 -13.539 2.646 9.048 1.00 0.00 C ATOM 439 CG GLN A 28 -14.994 3.096 9.198 1.00 0.00 C ATOM 440 CD GLN A 28 -15.296 3.500 10.642 1.00 0.00 C ATOM 441 OE1 GLN A 28 -14.697 3.015 11.588 1.00 0.00 O ATOM 442 NE2 GLN A 28 -16.258 4.410 10.760 1.00 0.00 N ATOM 0 H GLN A 28 -12.262 3.443 7.074 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.161 4.708 9.432 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.413 2.121 8.101 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.290 1.940 9.840 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.189 3.937 8.533 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.661 2.289 8.895 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.719 4.775 9.927 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.535 4.743 11.684 1.00 0.00 H new ATOM 451 N LEU A 29 -10.260 3.433 9.585 1.00 0.00 N ATOM 452 CA LEU A 29 -9.098 3.195 10.424 1.00 0.00 C ATOM 453 C LEU A 29 -8.378 4.521 10.681 1.00 0.00 C ATOM 454 O LEU A 29 -7.518 4.605 11.555 1.00 0.00 O ATOM 455 CB LEU A 29 -8.203 2.119 9.808 1.00 0.00 C ATOM 456 CG LEU A 29 -6.703 2.423 9.789 1.00 0.00 C ATOM 457 CD1 LEU A 29 -6.130 2.442 11.208 1.00 0.00 C ATOM 458 CD2 LEU A 29 -5.957 1.442 8.882 1.00 0.00 C ATOM 0 H LEU A 29 -10.065 3.458 8.584 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.404 2.805 11.395 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.358 1.189 10.355 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.531 1.945 8.783 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.561 3.420 9.371 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.063 2.660 11.167 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.635 3.210 11.794 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.284 1.469 11.675 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.893 1.680 8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.103 0.426 9.247 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.343 1.521 7.866 1.00 0.00 H new ATOM 470 N GLY A 30 -8.757 5.523 9.901 1.00 0.00 N ATOM 471 CA GLY A 30 -8.160 6.841 10.032 1.00 0.00 C ATOM 472 C GLY A 30 -6.695 6.824 9.589 1.00 0.00 C ATOM 473 O GLY A 30 -5.867 7.548 10.141 1.00 0.00 O ATOM 0 H GLY A 30 -9.470 5.448 9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.718 7.559 9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.227 7.174 11.068 1.00 0.00 H new ATOM 477 N PHE A 31 -6.419 5.990 8.597 1.00 0.00 N ATOM 478 CA PHE A 31 -5.069 5.870 8.073 1.00 0.00 C ATOM 479 C PHE A 31 -4.228 7.095 8.439 1.00 0.00 C ATOM 480 O PHE A 31 -3.789 7.232 9.580 1.00 0.00 O ATOM 481 CB PHE A 31 -5.186 5.783 6.551 1.00 0.00 C ATOM 482 CG PHE A 31 -6.172 6.784 5.944 1.00 0.00 C ATOM 483 CD1 PHE A 31 -7.465 6.804 6.363 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.754 7.654 4.986 1.00 0.00 C ATOM 485 CE1 PHE A 31 -8.380 7.733 5.800 1.00 0.00 C ATOM 486 CE2 PHE A 31 -6.669 8.583 4.423 1.00 0.00 C ATOM 487 CZ PHE A 31 -7.962 8.603 4.842 1.00 0.00 C ATOM 0 H PHE A 31 -7.108 5.391 8.142 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.583 4.990 8.494 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.202 5.946 6.111 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.494 4.774 6.278 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.797 6.113 7.124 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.727 7.639 4.653 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.407 7.748 6.133 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.337 9.274 3.662 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.657 9.310 4.414 1.00 0.00 H new ATOM 497 N LYS A 32 -4.029 7.953 7.450 1.00 0.00 N ATOM 498 CA LYS A 32 -3.248 9.162 7.653 1.00 0.00 C ATOM 499 C LYS A 32 -3.515 10.135 6.503 1.00 0.00 C ATOM 500 O LYS A 32 -3.869 11.290 6.733 1.00 0.00 O ATOM 501 CB LYS A 32 -1.769 8.818 7.839 1.00 0.00 C ATOM 502 CG LYS A 32 -1.056 9.892 8.664 1.00 0.00 C ATOM 503 CD LYS A 32 -1.251 9.653 10.162 1.00 0.00 C ATOM 504 CE LYS A 32 -1.883 10.872 10.835 1.00 0.00 C ATOM 505 NZ LYS A 32 -3.332 10.652 11.049 1.00 0.00 N ATOM 0 H LYS A 32 -4.395 7.835 6.505 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.552 9.664 8.572 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.676 7.852 8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.289 8.724 6.865 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.008 9.890 8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.441 10.876 8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.885 8.780 10.315 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.290 9.434 10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.393 11.063 11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.731 11.756 10.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.638 11.162 11.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.862 11.004 10.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.515 9.635 11.169 1.00 0.00 H new ATOM 519 N GLN A 33 -3.333 9.633 5.292 1.00 0.00 N ATOM 520 CA GLN A 33 -3.549 10.443 4.105 1.00 0.00 C ATOM 521 C GLN A 33 -3.821 9.550 2.893 1.00 0.00 C ATOM 522 O GLN A 33 -3.020 8.673 2.572 1.00 0.00 O ATOM 523 CB GLN A 33 -2.357 11.368 3.848 1.00 0.00 C ATOM 524 CG GLN A 33 -2.713 12.822 4.166 1.00 0.00 C ATOM 525 CD GLN A 33 -2.695 13.680 2.899 1.00 0.00 C ATOM 526 OE1 GLN A 33 -2.788 13.190 1.786 1.00 0.00 O ATOM 527 NE2 GLN A 33 -2.571 14.984 3.131 1.00 0.00 N ATOM 0 H GLN A 33 -3.038 8.674 5.106 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.425 11.070 4.272 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.511 11.055 4.459 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.046 11.285 2.807 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.700 12.866 4.626 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.005 13.223 4.891 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.498 15.327 4.089 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.549 15.641 2.351 1.00 0.00 H new ATOM 536 N ILE A 34 -4.953 9.802 2.254 1.00 0.00 N ATOM 537 CA ILE A 34 -5.340 9.032 1.084 1.00 0.00 C ATOM 538 C ILE A 34 -4.923 9.786 -0.180 1.00 0.00 C ATOM 539 O ILE A 34 -5.466 10.848 -0.481 1.00 0.00 O ATOM 540 CB ILE A 34 -6.832 8.694 1.135 1.00 0.00 C ATOM 541 CG1 ILE A 34 -7.648 9.890 1.630 1.00 0.00 C ATOM 542 CG2 ILE A 34 -7.083 7.441 1.976 1.00 0.00 C ATOM 543 CD1 ILE A 34 -8.970 10.004 0.869 1.00 0.00 C ATOM 0 H ILE A 34 -5.615 10.529 2.524 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.820 8.074 1.069 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.167 8.473 0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.846 9.783 2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.071 10.806 1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.151 7.224 1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.549 6.597 1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.728 7.608 2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.531 10.862 1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.768 10.135 -0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.555 9.096 1.018 1.00 0.00 H new ATOM 555 N THR A 35 -3.962 9.208 -0.885 1.00 0.00 N ATOM 556 CA THR A 35 -3.465 9.812 -2.109 1.00 0.00 C ATOM 557 C THR A 35 -3.586 8.830 -3.276 1.00 0.00 C ATOM 558 O THR A 35 -2.949 7.777 -3.273 1.00 0.00 O ATOM 559 CB THR A 35 -2.031 10.284 -1.856 1.00 0.00 C ATOM 560 OG1 THR A 35 -2.165 11.679 -1.597 1.00 0.00 O ATOM 561 CG2 THR A 35 -1.164 10.220 -3.115 1.00 0.00 C ATOM 0 H THR A 35 -3.514 8.327 -0.632 1.00 0.00 H new ATOM 0 HA THR A 35 -4.062 10.679 -2.393 1.00 0.00 H new ATOM 0 HB THR A 35 -1.580 9.674 -1.073 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.282 12.065 -1.421 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.157 10.565 -2.881 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.121 9.192 -3.475 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.596 10.857 -3.887 1.00 0.00 H new ATOM 569 N ALA A 36 -4.405 9.208 -4.246 1.00 0.00 N ATOM 570 CA ALA A 36 -4.617 8.374 -5.416 1.00 0.00 C ATOM 571 C ALA A 36 -4.326 9.190 -6.677 1.00 0.00 C ATOM 572 O ALA A 36 -4.669 10.368 -6.752 1.00 0.00 O ATOM 573 CB ALA A 36 -6.043 7.819 -5.396 1.00 0.00 C ATOM 0 H ALA A 36 -4.930 10.082 -4.245 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.936 7.523 -5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.202 7.193 -6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.189 7.224 -4.495 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.755 8.644 -5.405 1.00 0.00 H new ATOM 579 N ALA A 37 -3.696 8.529 -7.638 1.00 0.00 N ATOM 580 CA ALA A 37 -3.354 9.178 -8.892 1.00 0.00 C ATOM 581 C ALA A 37 -3.332 8.134 -10.011 1.00 0.00 C ATOM 582 O ALA A 37 -2.698 7.088 -9.877 1.00 0.00 O ATOM 583 CB ALA A 37 -2.015 9.902 -8.745 1.00 0.00 C ATOM 0 H ALA A 37 -3.414 7.551 -7.573 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.102 9.927 -9.153 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.759 10.389 -9.686 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.091 10.652 -7.958 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.239 9.182 -8.486 1.00 0.00 H new ATOM 589 N GLY A 38 -4.031 8.455 -11.091 1.00 0.00 N ATOM 590 CA GLY A 38 -4.100 7.559 -12.231 1.00 0.00 C ATOM 591 C GLY A 38 -4.068 6.096 -11.782 1.00 0.00 C ATOM 592 O GLY A 38 -5.115 5.492 -11.553 1.00 0.00 O ATOM 0 H GLY A 38 -4.554 9.324 -11.199 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.014 7.750 -12.794 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.265 7.755 -12.903 1.00 0.00 H new ATOM 596 N ASP A 39 -2.858 5.570 -11.672 1.00 0.00 N ATOM 597 CA ASP A 39 -2.677 4.190 -11.254 1.00 0.00 C ATOM 598 C ASP A 39 -1.357 4.062 -10.490 1.00 0.00 C ATOM 599 O ASP A 39 -0.704 5.062 -10.201 1.00 0.00 O ATOM 600 CB ASP A 39 -2.617 3.253 -12.463 1.00 0.00 C ATOM 601 CG ASP A 39 -3.762 2.242 -12.554 1.00 0.00 C ATOM 602 OD1 ASP A 39 -4.235 1.821 -11.477 1.00 0.00 O ATOM 603 OD2 ASP A 39 -4.139 1.914 -13.700 1.00 0.00 O ATOM 0 H ASP A 39 -1.993 6.074 -11.865 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.523 3.914 -10.625 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.611 3.856 -13.371 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.673 2.709 -12.436 1.00 0.00 H new ATOM 608 N GLY A 40 -1.005 2.821 -10.186 1.00 0.00 N ATOM 609 CA GLY A 40 0.225 2.549 -9.462 1.00 0.00 C ATOM 610 C GLY A 40 1.357 3.458 -9.942 1.00 0.00 C ATOM 611 O GLY A 40 2.112 3.996 -9.134 1.00 0.00 O ATOM 0 H GLY A 40 -1.550 1.993 -10.428 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.063 2.697 -8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.509 1.506 -9.599 1.00 0.00 H new ATOM 615 N GLU A 41 1.440 3.603 -11.256 1.00 0.00 N ATOM 616 CA GLU A 41 2.467 4.438 -11.854 1.00 0.00 C ATOM 617 C GLU A 41 2.250 5.904 -11.472 1.00 0.00 C ATOM 618 O GLU A 41 3.136 6.539 -10.903 1.00 0.00 O ATOM 619 CB GLU A 41 2.498 4.267 -13.375 1.00 0.00 C ATOM 620 CG GLU A 41 3.612 3.307 -13.796 1.00 0.00 C ATOM 621 CD GLU A 41 4.026 3.553 -15.249 1.00 0.00 C ATOM 622 OE1 GLU A 41 3.171 3.315 -16.130 1.00 0.00 O ATOM 623 OE2 GLU A 41 5.187 3.972 -15.445 1.00 0.00 O ATOM 0 H GLU A 41 0.812 3.156 -11.924 1.00 0.00 H new ATOM 0 HA GLU A 41 3.435 4.121 -11.466 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.536 3.888 -13.722 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.649 5.236 -13.851 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.474 3.435 -13.142 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.273 2.277 -13.680 1.00 0.00 H new ATOM 630 N GLN A 42 1.064 6.397 -11.799 1.00 0.00 N ATOM 631 CA GLN A 42 0.718 7.776 -11.497 1.00 0.00 C ATOM 632 C GLN A 42 0.763 8.014 -9.986 1.00 0.00 C ATOM 633 O GLN A 42 1.285 9.030 -9.529 1.00 0.00 O ATOM 634 CB GLN A 42 -0.654 8.135 -12.068 1.00 0.00 C ATOM 635 CG GLN A 42 -0.623 9.503 -12.751 1.00 0.00 C ATOM 636 CD GLN A 42 -0.917 9.376 -14.247 1.00 0.00 C ATOM 637 OE1 GLN A 42 -0.669 8.357 -14.872 1.00 0.00 O ATOM 638 NE2 GLN A 42 -1.459 10.465 -14.786 1.00 0.00 N ATOM 0 H GLN A 42 0.331 5.866 -12.270 1.00 0.00 H new ATOM 0 HA GLN A 42 1.453 8.427 -11.971 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.964 7.374 -12.784 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.395 8.141 -11.268 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.357 10.162 -12.287 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.354 9.963 -12.607 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.641 11.284 -14.206 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.693 10.480 -15.779 1.00 0.00 H new ATOM 647 N GLY A 43 0.206 7.061 -9.251 1.00 0.00 N ATOM 648 CA GLY A 43 0.175 7.157 -7.802 1.00 0.00 C ATOM 649 C GLY A 43 1.582 7.022 -7.213 1.00 0.00 C ATOM 650 O GLY A 43 1.853 7.524 -6.125 1.00 0.00 O ATOM 0 H GLY A 43 -0.227 6.220 -9.632 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.257 8.113 -7.506 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.469 6.377 -7.396 1.00 0.00 H new ATOM 654 N MET A 44 2.437 6.340 -7.960 1.00 0.00 N ATOM 655 CA MET A 44 3.808 6.133 -7.526 1.00 0.00 C ATOM 656 C MET A 44 4.602 7.440 -7.574 1.00 0.00 C ATOM 657 O MET A 44 5.278 7.796 -6.609 1.00 0.00 O ATOM 658 CB MET A 44 4.479 5.095 -8.429 1.00 0.00 C ATOM 659 CG MET A 44 6.001 5.238 -8.393 1.00 0.00 C ATOM 660 SD MET A 44 6.763 3.631 -8.254 1.00 0.00 S ATOM 661 CE MET A 44 7.660 3.578 -9.796 1.00 0.00 C ATOM 0 H MET A 44 2.207 5.924 -8.862 1.00 0.00 H new ATOM 0 HA MET A 44 3.793 5.776 -6.496 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.197 4.092 -8.108 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.123 5.214 -9.452 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.349 5.737 -9.297 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.296 5.863 -7.550 1.00 0.00 H new ATOM 0 HE1 MET A 44 7.835 2.540 -10.080 1.00 0.00 H new ATOM 0 HE2 MET A 44 7.077 4.073 -10.573 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.616 4.088 -9.679 1.00 0.00 H new ATOM 671 N LYS A 45 4.495 8.118 -8.707 1.00 0.00 N ATOM 672 CA LYS A 45 5.195 9.378 -8.893 1.00 0.00 C ATOM 673 C LYS A 45 4.551 10.449 -8.010 1.00 0.00 C ATOM 674 O LYS A 45 5.249 11.252 -7.393 1.00 0.00 O ATOM 675 CB LYS A 45 5.243 9.751 -10.376 1.00 0.00 C ATOM 676 CG LYS A 45 3.932 9.383 -11.076 1.00 0.00 C ATOM 677 CD LYS A 45 3.457 10.521 -11.982 1.00 0.00 C ATOM 678 CE LYS A 45 4.265 10.559 -13.282 1.00 0.00 C ATOM 679 NZ LYS A 45 3.456 11.139 -14.377 1.00 0.00 N ATOM 0 H LYS A 45 3.935 7.819 -9.505 1.00 0.00 H new ATOM 0 HA LYS A 45 6.234 9.286 -8.578 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.428 10.820 -10.480 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.074 9.236 -10.858 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.072 8.478 -11.666 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.167 9.163 -10.331 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.399 10.392 -12.210 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.556 11.473 -11.460 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.170 11.150 -13.138 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.582 9.551 -13.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.018 11.158 -15.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.605 10.559 -14.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.175 12.108 -14.125 1.00 0.00 H new ATOM 693 N ILE A 46 3.227 10.427 -7.979 1.00 0.00 N ATOM 694 CA ILE A 46 2.481 11.387 -7.183 1.00 0.00 C ATOM 695 C ILE A 46 2.748 11.128 -5.698 1.00 0.00 C ATOM 696 O ILE A 46 2.755 12.059 -4.894 1.00 0.00 O ATOM 697 CB ILE A 46 0.997 11.355 -7.555 1.00 0.00 C ATOM 698 CG1 ILE A 46 0.722 12.222 -8.784 1.00 0.00 C ATOM 699 CG2 ILE A 46 0.123 11.754 -6.364 1.00 0.00 C ATOM 700 CD1 ILE A 46 1.312 11.589 -10.047 1.00 0.00 C ATOM 0 H ILE A 46 2.651 9.760 -8.492 1.00 0.00 H new ATOM 0 HA ILE A 46 2.817 12.402 -7.397 1.00 0.00 H new ATOM 0 HB ILE A 46 0.733 10.331 -7.818 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.353 12.353 -8.907 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.150 13.214 -8.637 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.927 11.723 -6.656 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.291 11.060 -5.541 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.381 12.764 -6.046 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.102 12.226 -10.906 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.390 11.481 -9.930 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.865 10.608 -10.205 1.00 0.00 H new ATOM 712 N MET A 47 2.961 9.860 -5.381 1.00 0.00 N ATOM 713 CA MET A 47 3.228 9.468 -4.008 1.00 0.00 C ATOM 714 C MET A 47 4.684 9.748 -3.630 1.00 0.00 C ATOM 715 O MET A 47 4.958 10.303 -2.567 1.00 0.00 O ATOM 716 CB MET A 47 2.935 7.975 -3.837 1.00 0.00 C ATOM 717 CG MET A 47 3.482 7.459 -2.504 1.00 0.00 C ATOM 718 SD MET A 47 3.550 5.675 -2.524 1.00 0.00 S ATOM 719 CE MET A 47 5.097 5.433 -3.381 1.00 0.00 C ATOM 0 H MET A 47 2.954 9.091 -6.051 1.00 0.00 H new ATOM 0 HA MET A 47 2.583 10.052 -3.352 1.00 0.00 H new ATOM 0 HB2 MET A 47 1.860 7.804 -3.884 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.383 7.416 -4.659 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.477 7.867 -2.327 1.00 0.00 H new ATOM 0 HG3 MET A 47 2.848 7.798 -1.685 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.651 4.621 -2.910 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.900 5.181 -4.423 1.00 0.00 H new ATOM 0 HE3 MET A 47 5.686 6.349 -3.335 1.00 0.00 H new ATOM 729 N ALA A 48 5.580 9.352 -4.521 1.00 0.00 N ATOM 730 CA ALA A 48 7.001 9.554 -4.295 1.00 0.00 C ATOM 731 C ALA A 48 7.297 11.054 -4.243 1.00 0.00 C ATOM 732 O ALA A 48 8.035 11.515 -3.373 1.00 0.00 O ATOM 733 CB ALA A 48 7.798 8.841 -5.389 1.00 0.00 C ATOM 0 H ALA A 48 5.350 8.892 -5.402 1.00 0.00 H new ATOM 0 HA ALA A 48 7.302 9.125 -3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.864 8.992 -5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.575 7.774 -5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.524 9.248 -6.362 1.00 0.00 H new ATOM 739 N GLN A 49 6.703 11.775 -5.182 1.00 0.00 N ATOM 740 CA GLN A 49 6.893 13.214 -5.254 1.00 0.00 C ATOM 741 C GLN A 49 6.600 13.856 -3.896 1.00 0.00 C ATOM 742 O GLN A 49 7.026 14.979 -3.631 1.00 0.00 O ATOM 743 CB GLN A 49 6.022 13.829 -6.351 1.00 0.00 C ATOM 744 CG GLN A 49 6.825 14.043 -7.634 1.00 0.00 C ATOM 745 CD GLN A 49 7.782 15.228 -7.491 1.00 0.00 C ATOM 746 OE1 GLN A 49 8.893 15.107 -6.998 1.00 0.00 O ATOM 747 NE2 GLN A 49 7.293 16.377 -7.947 1.00 0.00 N ATOM 0 H GLN A 49 6.089 11.390 -5.900 1.00 0.00 H new ATOM 0 HA GLN A 49 7.934 13.411 -5.511 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.173 13.177 -6.554 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.618 14.781 -6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.390 13.141 -7.868 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.145 14.219 -8.468 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.356 16.409 -8.348 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.855 17.227 -7.896 1.00 0.00 H new ATOM 756 N ASN A 50 5.874 13.115 -3.072 1.00 0.00 N ATOM 757 CA ASN A 50 5.519 13.599 -1.748 1.00 0.00 C ATOM 758 C ASN A 50 5.758 12.488 -0.723 1.00 0.00 C ATOM 759 O ASN A 50 6.282 11.427 -1.063 1.00 0.00 O ATOM 760 CB ASN A 50 4.041 13.990 -1.683 1.00 0.00 C ATOM 761 CG ASN A 50 3.452 14.143 -3.087 1.00 0.00 C ATOM 762 OD1 ASN A 50 4.107 14.580 -4.018 1.00 0.00 O ATOM 763 ND2 ASN A 50 2.182 13.759 -3.186 1.00 0.00 N ATOM 0 H ASN A 50 5.522 12.184 -3.295 1.00 0.00 H new ATOM 0 HA ASN A 50 6.134 14.473 -1.532 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.484 13.232 -1.132 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.933 14.926 -1.135 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.699 13.822 -4.082 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.692 13.402 -2.366 1.00 0.00 H new ATOM 770 N PRO A 51 5.354 12.777 0.543 1.00 0.00 N ATOM 771 CA PRO A 51 5.521 11.815 1.619 1.00 0.00 C ATOM 772 C PRO A 51 4.490 10.688 1.511 1.00 0.00 C ATOM 773 O PRO A 51 3.382 10.900 1.022 1.00 0.00 O ATOM 774 CB PRO A 51 5.380 12.627 2.897 1.00 0.00 C ATOM 775 CG PRO A 51 4.683 13.917 2.497 1.00 0.00 C ATOM 776 CD PRO A 51 4.731 14.022 0.981 1.00 0.00 C ATOM 0 HA PRO A 51 6.487 11.311 1.587 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.799 12.084 3.642 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.355 12.831 3.340 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.651 13.918 2.847 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.175 14.775 2.955 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.732 14.134 0.560 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.311 14.888 0.662 1.00 0.00 H new ATOM 784 N HIS A 52 4.894 9.515 1.976 1.00 0.00 N ATOM 785 CA HIS A 52 4.020 8.355 1.938 1.00 0.00 C ATOM 786 C HIS A 52 4.592 7.252 2.831 1.00 0.00 C ATOM 787 O HIS A 52 5.795 7.216 3.086 1.00 0.00 O ATOM 788 CB HIS A 52 3.794 7.893 0.497 1.00 0.00 C ATOM 789 CG HIS A 52 5.004 7.250 -0.139 1.00 0.00 C ATOM 790 ND1 HIS A 52 6.040 7.986 -0.688 1.00 0.00 N ATOM 791 CD2 HIS A 52 5.331 5.937 -0.307 1.00 0.00 C ATOM 792 CE1 HIS A 52 6.945 7.142 -1.164 1.00 0.00 C ATOM 793 NE2 HIS A 52 6.503 5.874 -0.927 1.00 0.00 N ATOM 0 H HIS A 52 5.814 9.343 2.381 1.00 0.00 H new ATOM 0 HA HIS A 52 3.039 8.621 2.332 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.967 7.183 0.479 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.492 8.750 -0.105 1.00 0.00 H new ATOM 0 HD1 HIS A 52 6.097 9.004 -0.721 1.00 0.00 H new ATOM 0 HD2 HIS A 52 4.738 5.092 0.010 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.869 7.411 -1.653 1.00 0.00 H new ATOM 802 N HIS A 53 3.703 6.380 3.283 1.00 0.00 N ATOM 803 CA HIS A 53 4.104 5.280 4.144 1.00 0.00 C ATOM 804 C HIS A 53 3.211 4.067 3.874 1.00 0.00 C ATOM 805 O HIS A 53 3.216 3.106 4.642 1.00 0.00 O ATOM 806 CB HIS A 53 4.097 5.708 5.612 1.00 0.00 C ATOM 807 CG HIS A 53 4.914 4.816 6.515 1.00 0.00 C ATOM 808 ND1 HIS A 53 6.213 5.116 6.890 1.00 0.00 N ATOM 809 CD2 HIS A 53 4.605 3.630 7.116 1.00 0.00 C ATOM 810 CE1 HIS A 53 6.654 4.148 7.679 1.00 0.00 C ATOM 811 NE2 HIS A 53 5.657 3.228 7.817 1.00 0.00 N ATOM 0 H HIS A 53 2.706 6.413 3.069 1.00 0.00 H new ATOM 0 HA HIS A 53 5.130 4.990 3.917 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.477 6.727 5.685 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.068 5.725 5.970 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.663 3.107 7.035 1.00 0.00 H new ATOM 0 HE1 HIS A 53 7.632 4.096 8.134 1.00 0.00 H new ATOM 0 HE2 HIS A 53 5.711 2.372 8.368 1.00 0.00 H new ATOM 820 N LEU A 54 2.464 4.152 2.784 1.00 0.00 N ATOM 821 CA LEU A 54 1.568 3.074 2.403 1.00 0.00 C ATOM 822 C LEU A 54 1.301 3.144 0.899 1.00 0.00 C ATOM 823 O LEU A 54 1.061 4.222 0.357 1.00 0.00 O ATOM 824 CB LEU A 54 0.298 3.107 3.256 1.00 0.00 C ATOM 825 CG LEU A 54 0.255 2.131 4.434 1.00 0.00 C ATOM 826 CD1 LEU A 54 0.142 2.882 5.763 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.867 1.108 4.257 1.00 0.00 C ATOM 0 H LEU A 54 2.461 4.952 2.151 1.00 0.00 H new ATOM 0 HA LEU A 54 2.031 2.107 2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.170 4.118 3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.555 2.903 2.609 1.00 0.00 H new ATOM 0 HG LEU A 54 1.194 1.578 4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.113 2.166 6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.003 3.539 5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.771 3.477 5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.876 0.427 5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.825 1.625 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.702 0.542 3.340 1.00 0.00 H new ATOM 839 N VAL A 55 1.351 1.981 0.266 1.00 0.00 N ATOM 840 CA VAL A 55 1.117 1.897 -1.165 1.00 0.00 C ATOM 841 C VAL A 55 0.156 0.742 -1.454 1.00 0.00 C ATOM 842 O VAL A 55 0.574 -0.412 -1.538 1.00 0.00 O ATOM 843 CB VAL A 55 2.449 1.767 -1.907 1.00 0.00 C ATOM 844 CG1 VAL A 55 2.243 1.839 -3.421 1.00 0.00 C ATOM 845 CG2 VAL A 55 3.444 2.828 -1.437 1.00 0.00 C ATOM 0 H VAL A 55 1.550 1.089 0.719 1.00 0.00 H new ATOM 0 HA VAL A 55 0.646 2.810 -1.529 1.00 0.00 H new ATOM 0 HB VAL A 55 2.869 0.789 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.205 1.744 -3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.586 1.029 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.790 2.796 -3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.382 2.713 -1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.034 3.820 -1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.626 2.708 -0.369 1.00 0.00 H new ATOM 855 N ILE A 56 -1.113 1.092 -1.598 1.00 0.00 N ATOM 856 CA ILE A 56 -2.137 0.099 -1.876 1.00 0.00 C ATOM 857 C ILE A 56 -2.735 0.362 -3.260 1.00 0.00 C ATOM 858 O ILE A 56 -3.066 1.499 -3.591 1.00 0.00 O ATOM 859 CB ILE A 56 -3.176 0.072 -0.753 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.454 0.802 -1.169 1.00 0.00 C ATOM 861 CG2 ILE A 56 -2.593 0.631 0.547 1.00 0.00 C ATOM 862 CD1 ILE A 56 -5.336 -0.092 -2.043 1.00 0.00 C ATOM 0 H ILE A 56 -1.456 2.050 -1.527 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.702 -0.900 -1.901 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.447 -0.967 -0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.007 1.109 -0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.197 1.710 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.352 0.600 1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.736 0.029 0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.275 1.662 0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.238 0.451 -2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.788 -0.377 -2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.611 -0.988 -1.486 1.00 0.00 H new ATOM 874 N SER A 57 -2.856 -0.710 -4.030 1.00 0.00 N ATOM 875 CA SER A 57 -3.407 -0.609 -5.370 1.00 0.00 C ATOM 876 C SER A 57 -4.266 -1.838 -5.676 1.00 0.00 C ATOM 877 O SER A 57 -4.263 -2.805 -4.917 1.00 0.00 O ATOM 878 CB SER A 57 -2.297 -0.464 -6.414 1.00 0.00 C ATOM 879 OG SER A 57 -2.704 -0.938 -7.694 1.00 0.00 O ATOM 0 H SER A 57 -2.582 -1.652 -3.751 1.00 0.00 H new ATOM 0 HA SER A 57 -4.030 0.284 -5.417 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.006 0.584 -6.491 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.416 -1.016 -6.086 1.00 0.00 H new ATOM 0 HG SER A 57 -1.969 -0.827 -8.333 1.00 0.00 H new ATOM 885 N ASP A 58 -4.981 -1.758 -6.788 1.00 0.00 N ATOM 886 CA ASP A 58 -5.843 -2.852 -7.204 1.00 0.00 C ATOM 887 C ASP A 58 -5.109 -3.712 -8.234 1.00 0.00 C ATOM 888 O ASP A 58 -3.930 -3.489 -8.507 1.00 0.00 O ATOM 889 CB ASP A 58 -7.125 -2.326 -7.853 1.00 0.00 C ATOM 890 CG ASP A 58 -8.422 -2.763 -7.170 1.00 0.00 C ATOM 891 OD1 ASP A 58 -8.395 -2.884 -5.926 1.00 0.00 O ATOM 892 OD2 ASP A 58 -9.412 -2.966 -7.907 1.00 0.00 O ATOM 0 H ASP A 58 -4.981 -0.953 -7.414 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.099 -3.434 -6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.088 -1.237 -7.865 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.150 -2.656 -8.892 1.00 0.00 H new ATOM 897 N PHE A 59 -5.835 -4.676 -8.779 1.00 0.00 N ATOM 898 CA PHE A 59 -5.268 -5.570 -9.774 1.00 0.00 C ATOM 899 C PHE A 59 -5.922 -5.356 -11.141 1.00 0.00 C ATOM 900 O PHE A 59 -5.821 -6.209 -12.021 1.00 0.00 O ATOM 901 CB PHE A 59 -5.551 -6.998 -9.305 1.00 0.00 C ATOM 902 CG PHE A 59 -6.967 -7.207 -8.765 1.00 0.00 C ATOM 903 CD1 PHE A 59 -7.987 -6.427 -9.213 1.00 0.00 C ATOM 904 CD2 PHE A 59 -7.206 -8.173 -7.838 1.00 0.00 C ATOM 905 CE1 PHE A 59 -9.302 -6.621 -8.712 1.00 0.00 C ATOM 906 CE2 PHE A 59 -8.521 -8.367 -7.338 1.00 0.00 C ATOM 907 CZ PHE A 59 -9.541 -7.586 -7.784 1.00 0.00 C ATOM 0 H PHE A 59 -6.812 -4.858 -8.550 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.200 -5.380 -9.879 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.386 -7.682 -10.137 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.834 -7.263 -8.528 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.797 -5.660 -9.950 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.396 -8.792 -7.482 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.112 -6.002 -9.068 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.711 -9.135 -6.603 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.540 -7.732 -7.401 1.00 0.00 H new ATOM 917 N ASN A 60 -6.577 -4.212 -11.275 1.00 0.00 N ATOM 918 CA ASN A 60 -7.247 -3.875 -12.519 1.00 0.00 C ATOM 919 C ASN A 60 -6.226 -3.870 -13.659 1.00 0.00 C ATOM 920 O ASN A 60 -6.112 -4.846 -14.400 1.00 0.00 O ATOM 921 CB ASN A 60 -7.880 -2.484 -12.445 1.00 0.00 C ATOM 922 CG ASN A 60 -9.407 -2.577 -12.436 1.00 0.00 C ATOM 923 OD1 ASN A 60 -10.032 -2.851 -11.424 1.00 0.00 O ATOM 924 ND2 ASN A 60 -9.971 -2.332 -13.614 1.00 0.00 N ATOM 0 H ASN A 60 -6.658 -3.507 -10.542 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.026 -4.617 -12.693 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.538 -1.972 -11.546 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.553 -1.886 -13.296 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.986 -2.367 -13.711 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.389 -2.109 -14.421 1.00 0.00 H new ATOM 931 N MET A 61 -5.508 -2.761 -13.763 1.00 0.00 N ATOM 932 CA MET A 61 -4.501 -2.616 -14.799 1.00 0.00 C ATOM 933 C MET A 61 -3.485 -1.533 -14.428 1.00 0.00 C ATOM 934 O MET A 61 -3.175 -0.663 -15.240 1.00 0.00 O ATOM 935 CB MET A 61 -5.177 -2.249 -16.122 1.00 0.00 C ATOM 936 CG MET A 61 -6.092 -1.035 -15.952 1.00 0.00 C ATOM 937 SD MET A 61 -7.123 -0.840 -17.396 1.00 0.00 S ATOM 938 CE MET A 61 -5.869 -0.580 -18.640 1.00 0.00 C ATOM 0 H MET A 61 -5.604 -1.954 -13.146 1.00 0.00 H new ATOM 0 HA MET A 61 -3.973 -3.564 -14.901 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.418 -2.035 -16.875 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.756 -3.097 -16.486 1.00 0.00 H new ATOM 0 HG2 MET A 61 -6.714 -1.159 -15.065 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.494 -0.137 -15.798 1.00 0.00 H new ATOM 0 HE1 MET A 61 -6.318 -0.114 -19.517 1.00 0.00 H new ATOM 0 HE2 MET A 61 -5.091 0.071 -18.242 1.00 0.00 H new ATOM 0 HE3 MET A 61 -5.432 -1.538 -18.921 1.00 0.00 H new ATOM 948 N PRO A 62 -2.982 -1.623 -13.168 1.00 0.00 N ATOM 949 CA PRO A 62 -2.009 -0.663 -12.680 1.00 0.00 C ATOM 950 C PRO A 62 -0.628 -0.925 -13.286 1.00 0.00 C ATOM 951 O PRO A 62 -0.200 -2.072 -13.389 1.00 0.00 O ATOM 952 CB PRO A 62 -2.031 -0.814 -11.167 1.00 0.00 C ATOM 953 CG PRO A 62 -2.669 -2.166 -10.893 1.00 0.00 C ATOM 954 CD PRO A 62 -3.327 -2.640 -12.178 1.00 0.00 C ATOM 0 HA PRO A 62 -2.248 0.361 -12.969 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.023 -0.767 -10.755 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.603 -0.011 -10.702 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.917 -2.883 -10.562 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.406 -2.085 -10.094 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.957 -3.622 -12.473 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.407 -2.728 -12.061 1.00 0.00 H new ATOM 962 N LYS A 63 0.029 0.160 -13.671 1.00 0.00 N ATOM 963 CA LYS A 63 1.351 0.062 -14.265 1.00 0.00 C ATOM 964 C LYS A 63 2.382 -0.199 -13.164 1.00 0.00 C ATOM 965 O LYS A 63 3.484 -0.669 -13.439 1.00 0.00 O ATOM 966 CB LYS A 63 1.653 1.303 -15.108 1.00 0.00 C ATOM 967 CG LYS A 63 0.831 1.302 -16.399 1.00 0.00 C ATOM 968 CD LYS A 63 1.028 -0.004 -17.172 1.00 0.00 C ATOM 969 CE LYS A 63 0.655 0.172 -18.646 1.00 0.00 C ATOM 970 NZ LYS A 63 0.309 -1.134 -19.252 1.00 0.00 N ATOM 0 H LYS A 63 -0.330 1.111 -13.583 1.00 0.00 H new ATOM 0 HA LYS A 63 1.398 -0.782 -14.953 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.431 2.201 -14.532 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.716 1.334 -15.349 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.225 1.433 -16.162 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.125 2.146 -17.023 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.066 -0.326 -17.091 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.416 -0.789 -16.729 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.189 0.856 -18.735 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.488 0.622 -19.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.058 -0.997 -20.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.125 -1.775 -19.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.500 -1.548 -18.746 1.00 0.00 H new ATOM 984 N MET A 64 1.986 0.118 -11.940 1.00 0.00 N ATOM 985 CA MET A 64 2.861 -0.076 -10.797 1.00 0.00 C ATOM 986 C MET A 64 2.103 -0.708 -9.628 1.00 0.00 C ATOM 987 O MET A 64 1.651 -0.006 -8.724 1.00 0.00 O ATOM 988 CB MET A 64 3.440 1.272 -10.362 1.00 0.00 C ATOM 989 CG MET A 64 4.963 1.202 -10.242 1.00 0.00 C ATOM 990 SD MET A 64 5.675 0.707 -11.802 1.00 0.00 S ATOM 991 CE MET A 64 7.243 0.065 -11.237 1.00 0.00 C ATOM 0 H MET A 64 1.071 0.508 -11.715 1.00 0.00 H new ATOM 0 HA MET A 64 3.667 -0.749 -11.090 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.164 2.040 -11.084 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.009 1.565 -9.404 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.358 2.173 -9.944 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.243 0.492 -9.463 1.00 0.00 H new ATOM 0 HE1 MET A 64 8.046 0.477 -11.848 1.00 0.00 H new ATOM 0 HE2 MET A 64 7.398 0.347 -10.196 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.243 -1.022 -11.322 1.00 0.00 H new ATOM 1001 N ASP A 65 1.989 -2.026 -9.682 1.00 0.00 N ATOM 1002 CA ASP A 65 1.293 -2.761 -8.639 1.00 0.00 C ATOM 1003 C ASP A 65 2.210 -2.901 -7.422 1.00 0.00 C ATOM 1004 O ASP A 65 3.385 -2.542 -7.482 1.00 0.00 O ATOM 1005 CB ASP A 65 0.917 -4.167 -9.111 1.00 0.00 C ATOM 1006 CG ASP A 65 0.069 -4.975 -8.127 1.00 0.00 C ATOM 1007 OD1 ASP A 65 -1.073 -4.537 -7.868 1.00 0.00 O ATOM 1008 OD2 ASP A 65 0.582 -6.013 -7.656 1.00 0.00 O ATOM 0 H ASP A 65 2.367 -2.605 -10.432 1.00 0.00 H new ATOM 0 HA ASP A 65 0.386 -2.211 -8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.374 -4.085 -10.053 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.832 -4.721 -9.318 1.00 0.00 H new ATOM 1013 N GLY A 66 1.639 -3.425 -6.347 1.00 0.00 N ATOM 1014 CA GLY A 66 2.391 -3.617 -5.119 1.00 0.00 C ATOM 1015 C GLY A 66 3.840 -4.005 -5.418 1.00 0.00 C ATOM 1016 O GLY A 66 4.770 -3.320 -4.994 1.00 0.00 O ATOM 0 H GLY A 66 0.664 -3.722 -6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.371 -2.701 -4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.919 -4.394 -4.517 1.00 0.00 H new ATOM 1020 N LEU A 67 3.988 -5.101 -6.146 1.00 0.00 N ATOM 1021 CA LEU A 67 5.309 -5.587 -6.507 1.00 0.00 C ATOM 1022 C LEU A 67 6.063 -4.491 -7.261 1.00 0.00 C ATOM 1023 O LEU A 67 7.242 -4.253 -7.002 1.00 0.00 O ATOM 1024 CB LEU A 67 5.203 -6.903 -7.281 1.00 0.00 C ATOM 1025 CG LEU A 67 4.535 -8.065 -6.541 1.00 0.00 C ATOM 1026 CD1 LEU A 67 5.174 -9.400 -6.927 1.00 0.00 C ATOM 1027 CD2 LEU A 67 4.556 -7.835 -5.028 1.00 0.00 C ATOM 0 H LEU A 67 3.215 -5.667 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 67 5.888 -5.815 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.648 -6.717 -8.201 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.207 -7.213 -7.572 1.00 0.00 H new ATOM 0 HG LEU A 67 3.489 -8.109 -6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.681 -10.209 -6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.064 -9.559 -8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.233 -9.384 -6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.075 -8.675 -4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.588 -7.750 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.020 -6.916 -4.792 1.00 0.00 H new ATOM 1039 N GLY A 68 5.353 -3.851 -8.179 1.00 0.00 N ATOM 1040 CA GLY A 68 5.941 -2.785 -8.971 1.00 0.00 C ATOM 1041 C GLY A 68 6.546 -1.704 -8.073 1.00 0.00 C ATOM 1042 O GLY A 68 7.623 -1.185 -8.359 1.00 0.00 O ATOM 0 H GLY A 68 4.376 -4.051 -8.392 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.712 -3.195 -9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.180 -2.344 -9.615 1.00 0.00 H new ATOM 1046 N LEU A 69 5.825 -1.395 -7.005 1.00 0.00 N ATOM 1047 CA LEU A 69 6.276 -0.385 -6.063 1.00 0.00 C ATOM 1048 C LEU A 69 7.561 -0.865 -5.384 1.00 0.00 C ATOM 1049 O LEU A 69 8.498 -0.090 -5.200 1.00 0.00 O ATOM 1050 CB LEU A 69 5.158 -0.028 -5.082 1.00 0.00 C ATOM 1051 CG LEU A 69 5.273 1.338 -4.401 1.00 0.00 C ATOM 1052 CD1 LEU A 69 6.691 1.570 -3.875 1.00 0.00 C ATOM 1053 CD2 LEU A 69 4.818 2.457 -5.339 1.00 0.00 C ATOM 0 H LEU A 69 4.931 -1.827 -6.771 1.00 0.00 H new ATOM 0 HA LEU A 69 6.517 0.541 -6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.208 -0.067 -5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.122 -0.795 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 69 4.605 1.349 -3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.746 2.547 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.941 0.796 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.397 1.532 -4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.909 3.417 -4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.442 2.458 -6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.778 2.294 -5.622 1.00 0.00 H new ATOM 1065 N LEU A 70 7.562 -2.142 -5.028 1.00 0.00 N ATOM 1066 CA LEU A 70 8.716 -2.735 -4.373 1.00 0.00 C ATOM 1067 C LEU A 70 9.951 -2.547 -5.256 1.00 0.00 C ATOM 1068 O LEU A 70 11.019 -2.181 -4.768 1.00 0.00 O ATOM 1069 CB LEU A 70 8.434 -4.194 -4.011 1.00 0.00 C ATOM 1070 CG LEU A 70 9.596 -5.170 -4.211 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.682 -5.630 -5.668 1.00 0.00 C ATOM 1072 CD2 LEU A 70 10.913 -4.562 -3.723 1.00 0.00 C ATOM 0 H LEU A 70 6.782 -2.782 -5.181 1.00 0.00 H new ATOM 0 HA LEU A 70 8.920 -2.230 -3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.126 -4.236 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.589 -4.539 -4.607 1.00 0.00 H new ATOM 0 HG LEU A 70 9.406 -6.056 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.516 -6.323 -5.782 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.754 -6.130 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.837 -4.766 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.722 -5.276 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.122 -3.650 -4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.834 -4.326 -2.662 1.00 0.00 H new ATOM 1084 N GLN A 71 9.765 -2.806 -6.542 1.00 0.00 N ATOM 1085 CA GLN A 71 10.850 -2.670 -7.498 1.00 0.00 C ATOM 1086 C GLN A 71 11.322 -1.216 -7.563 1.00 0.00 C ATOM 1087 O GLN A 71 12.512 -0.952 -7.733 1.00 0.00 O ATOM 1088 CB GLN A 71 10.430 -3.172 -8.881 1.00 0.00 C ATOM 1089 CG GLN A 71 10.554 -4.694 -8.972 1.00 0.00 C ATOM 1090 CD GLN A 71 10.854 -5.135 -10.406 1.00 0.00 C ATOM 1091 OE1 GLN A 71 9.969 -5.451 -11.184 1.00 0.00 O ATOM 1092 NE2 GLN A 71 12.148 -5.138 -10.711 1.00 0.00 N ATOM 0 H GLN A 71 8.878 -3.110 -6.944 1.00 0.00 H new ATOM 0 HA GLN A 71 11.683 -3.287 -7.161 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.401 -2.875 -9.083 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.052 -2.706 -9.645 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.347 -5.038 -8.308 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.629 -5.159 -8.631 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.837 -4.862 -10.012 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.451 -5.416 -11.644 1.00 0.00 H new ATOM 1101 N ALA A 72 10.365 -0.310 -7.424 1.00 0.00 N ATOM 1102 CA ALA A 72 10.667 1.110 -7.465 1.00 0.00 C ATOM 1103 C ALA A 72 11.460 1.494 -6.214 1.00 0.00 C ATOM 1104 O ALA A 72 12.452 2.216 -6.300 1.00 0.00 O ATOM 1105 CB ALA A 72 9.367 1.905 -7.597 1.00 0.00 C ATOM 0 H ALA A 72 9.380 -0.532 -7.283 1.00 0.00 H new ATOM 0 HA ALA A 72 11.283 1.346 -8.332 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.594 2.971 -7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.856 1.616 -8.515 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.724 1.695 -6.742 1.00 0.00 H new ATOM 1111 N VAL A 73 10.993 0.995 -5.079 1.00 0.00 N ATOM 1112 CA VAL A 73 11.646 1.277 -3.811 1.00 0.00 C ATOM 1113 C VAL A 73 13.115 0.860 -3.897 1.00 0.00 C ATOM 1114 O VAL A 73 13.986 1.526 -3.339 1.00 0.00 O ATOM 1115 CB VAL A 73 10.894 0.588 -2.671 1.00 0.00 C ATOM 1116 CG1 VAL A 73 9.380 0.667 -2.885 1.00 0.00 C ATOM 1117 CG2 VAL A 73 11.351 -0.864 -2.511 1.00 0.00 C ATOM 0 H VAL A 73 10.170 0.397 -5.011 1.00 0.00 H new ATOM 0 HA VAL A 73 11.623 2.346 -3.598 1.00 0.00 H new ATOM 0 HB VAL A 73 11.129 1.117 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.870 0.170 -2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.072 1.712 -2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.119 0.176 -3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.801 -1.331 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.160 -1.409 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.418 -0.887 -2.290 1.00 0.00 H new ATOM 1127 N ARG A 74 13.346 -0.240 -4.599 1.00 0.00 N ATOM 1128 CA ARG A 74 14.695 -0.754 -4.764 1.00 0.00 C ATOM 1129 C ARG A 74 15.578 0.287 -5.457 1.00 0.00 C ATOM 1130 O ARG A 74 16.804 0.207 -5.393 1.00 0.00 O ATOM 1131 CB ARG A 74 14.697 -2.043 -5.587 1.00 0.00 C ATOM 1132 CG ARG A 74 14.429 -3.261 -4.699 1.00 0.00 C ATOM 1133 CD ARG A 74 15.119 -4.507 -5.256 1.00 0.00 C ATOM 1134 NE ARG A 74 14.257 -5.151 -6.273 1.00 0.00 N ATOM 1135 CZ ARG A 74 14.672 -6.113 -7.108 1.00 0.00 C ATOM 1136 NH1 ARG A 74 15.937 -6.550 -7.053 1.00 0.00 N ATOM 1137 NH2 ARG A 74 13.820 -6.640 -7.999 1.00 0.00 N ATOM 0 H ARG A 74 12.621 -0.790 -5.060 1.00 0.00 H new ATOM 0 HA ARG A 74 15.091 -0.970 -3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 74 13.937 -1.982 -6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.659 -2.158 -6.087 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.786 -3.064 -3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.355 -3.436 -4.629 1.00 0.00 H new ATOM 0 HD2 ARG A 74 16.077 -4.235 -5.699 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.329 -5.208 -4.448 1.00 0.00 H new ATOM 0 HE ARG A 74 13.287 -4.843 -6.342 1.00 0.00 H new ATOM 0 HH11 ARG A 74 16.586 -6.150 -6.375 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.252 -7.282 -7.689 1.00 0.00 H new ATOM 0 HH21 ARG A 74 12.856 -6.308 -8.041 1.00 0.00 H new ATOM 0 HH22 ARG A 74 14.136 -7.372 -8.635 1.00 0.00 H new ATOM 1151 N ALA A 75 14.920 1.239 -6.102 1.00 0.00 N ATOM 1152 CA ALA A 75 15.630 2.294 -6.806 1.00 0.00 C ATOM 1153 C ALA A 75 15.531 3.592 -6.003 1.00 0.00 C ATOM 1154 O ALA A 75 16.351 4.493 -6.171 1.00 0.00 O ATOM 1155 CB ALA A 75 15.061 2.436 -8.219 1.00 0.00 C ATOM 0 H ALA A 75 13.903 1.302 -6.152 1.00 0.00 H new ATOM 0 HA ALA A 75 16.687 2.048 -6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.593 3.227 -8.748 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.182 1.495 -8.756 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.002 2.687 -8.161 1.00 0.00 H new ATOM 1161 N ASN A 76 14.520 3.647 -5.149 1.00 0.00 N ATOM 1162 CA ASN A 76 14.303 4.821 -4.319 1.00 0.00 C ATOM 1163 C ASN A 76 14.034 4.379 -2.880 1.00 0.00 C ATOM 1164 O ASN A 76 13.012 3.757 -2.598 1.00 0.00 O ATOM 1165 CB ASN A 76 13.093 5.621 -4.803 1.00 0.00 C ATOM 1166 CG ASN A 76 13.354 7.125 -4.702 1.00 0.00 C ATOM 1167 OD1 ASN A 76 12.325 7.822 -4.227 1.00 0.00 O flip ATOM 1168 ND2 ASN A 76 14.418 7.619 -5.034 1.00 0.00 N flip ATOM 0 H ASN A 76 13.841 2.898 -5.013 1.00 0.00 H new ATOM 0 HA ASN A 76 15.194 5.446 -4.378 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.867 5.356 -5.836 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.218 5.359 -4.208 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.167 7.025 -5.391 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.560 8.626 -4.955 1.00 0.00 H new ATOM 1175 N PRO A 77 14.995 4.729 -1.982 1.00 0.00 N ATOM 1176 CA PRO A 77 14.872 4.376 -0.578 1.00 0.00 C ATOM 1177 C PRO A 77 13.844 5.266 0.123 1.00 0.00 C ATOM 1178 O PRO A 77 13.528 5.054 1.293 1.00 0.00 O ATOM 1179 CB PRO A 77 16.274 4.525 -0.010 1.00 0.00 C ATOM 1180 CG PRO A 77 17.032 5.398 -0.997 1.00 0.00 C ATOM 1181 CD PRO A 77 16.219 5.465 -2.280 1.00 0.00 C ATOM 0 HA PRO A 77 14.503 3.361 -0.430 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.248 4.984 0.978 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.755 3.554 0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 77 17.181 6.397 -0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 77 18.021 4.983 -1.193 1.00 0.00 H new ATOM 0 HD2 PRO A 77 16.003 6.496 -2.558 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.758 5.016 -3.114 1.00 0.00 H new ATOM 1189 N ALA A 78 13.352 6.246 -0.621 1.00 0.00 N ATOM 1190 CA ALA A 78 12.367 7.170 -0.085 1.00 0.00 C ATOM 1191 C ALA A 78 11.043 6.433 0.123 1.00 0.00 C ATOM 1192 O ALA A 78 10.231 6.832 0.956 1.00 0.00 O ATOM 1193 CB ALA A 78 12.226 8.368 -1.027 1.00 0.00 C ATOM 0 H ALA A 78 13.617 6.420 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 78 12.687 7.553 0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.487 9.062 -0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.187 8.874 -1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.903 8.023 -2.009 1.00 0.00 H new ATOM 1199 N THR A 79 10.866 5.371 -0.649 1.00 0.00 N ATOM 1200 CA THR A 79 9.654 4.575 -0.558 1.00 0.00 C ATOM 1201 C THR A 79 9.974 3.175 -0.031 1.00 0.00 C ATOM 1202 O THR A 79 9.102 2.307 0.008 1.00 0.00 O ATOM 1203 CB THR A 79 8.989 4.568 -1.936 1.00 0.00 C ATOM 1204 OG1 THR A 79 7.762 3.875 -1.726 1.00 0.00 O ATOM 1205 CG2 THR A 79 9.741 3.698 -2.945 1.00 0.00 C ATOM 0 H THR A 79 11.541 5.043 -1.340 1.00 0.00 H new ATOM 0 HA THR A 79 8.951 5.004 0.156 1.00 0.00 H new ATOM 0 HB THR A 79 8.926 5.589 -2.313 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.073 4.510 -1.438 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.227 3.728 -3.906 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.757 4.075 -3.065 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.776 2.670 -2.584 1.00 0.00 H new ATOM 1213 N LYS A 80 11.226 2.997 0.361 1.00 0.00 N ATOM 1214 CA LYS A 80 11.672 1.717 0.884 1.00 0.00 C ATOM 1215 C LYS A 80 11.049 1.488 2.262 1.00 0.00 C ATOM 1216 O LYS A 80 11.084 0.376 2.786 1.00 0.00 O ATOM 1217 CB LYS A 80 13.201 1.639 0.881 1.00 0.00 C ATOM 1218 CG LYS A 80 13.798 2.555 1.950 1.00 0.00 C ATOM 1219 CD LYS A 80 14.505 1.741 3.037 1.00 0.00 C ATOM 1220 CE LYS A 80 13.506 0.884 3.816 1.00 0.00 C ATOM 1221 NZ LYS A 80 14.118 0.382 5.066 1.00 0.00 N ATOM 0 H LYS A 80 11.947 3.718 0.327 1.00 0.00 H new ATOM 0 HA LYS A 80 11.333 0.905 0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.517 0.611 1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.581 1.923 -0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.505 3.245 1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.009 3.159 2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.262 1.102 2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.024 2.413 3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.618 1.472 4.049 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.180 0.045 3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.426 -0.198 5.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.952 -0.196 4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.407 1.186 5.659 1.00 0.00 H new ATOM 1235 N LYS A 81 10.491 2.558 2.809 1.00 0.00 N ATOM 1236 CA LYS A 81 9.860 2.489 4.116 1.00 0.00 C ATOM 1237 C LYS A 81 8.340 2.556 3.948 1.00 0.00 C ATOM 1238 O LYS A 81 7.608 2.665 4.930 1.00 0.00 O ATOM 1239 CB LYS A 81 10.424 3.567 5.042 1.00 0.00 C ATOM 1240 CG LYS A 81 9.921 4.955 4.639 1.00 0.00 C ATOM 1241 CD LYS A 81 10.814 6.053 5.220 1.00 0.00 C ATOM 1242 CE LYS A 81 11.924 6.434 4.237 1.00 0.00 C ATOM 1243 NZ LYS A 81 13.243 6.006 4.753 1.00 0.00 N ATOM 0 H LYS A 81 10.463 3.478 2.370 1.00 0.00 H new ATOM 0 HA LYS A 81 10.087 1.538 4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.133 3.356 6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.513 3.547 5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.899 5.036 3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.898 5.091 4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.212 6.931 5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.254 5.711 6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.737 5.968 3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.922 7.512 4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.984 6.272 4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.426 6.470 5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.247 4.974 4.883 1.00 0.00 H new ATOM 1257 N ALA A 82 7.912 2.489 2.695 1.00 0.00 N ATOM 1258 CA ALA A 82 6.493 2.542 2.386 1.00 0.00 C ATOM 1259 C ALA A 82 5.967 1.120 2.185 1.00 0.00 C ATOM 1260 O ALA A 82 6.493 0.369 1.365 1.00 0.00 O ATOM 1261 CB ALA A 82 6.270 3.425 1.158 1.00 0.00 C ATOM 0 H ALA A 82 8.523 2.399 1.883 1.00 0.00 H new ATOM 0 HA ALA A 82 5.937 2.986 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.206 3.464 0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.634 4.432 1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.811 3.009 0.308 1.00 0.00 H new ATOM 1267 N ALA A 83 4.934 0.792 2.947 1.00 0.00 N ATOM 1268 CA ALA A 83 4.330 -0.528 2.863 1.00 0.00 C ATOM 1269 C ALA A 83 3.223 -0.510 1.808 1.00 0.00 C ATOM 1270 O ALA A 83 2.270 0.261 1.915 1.00 0.00 O ATOM 1271 CB ALA A 83 3.815 -0.943 4.243 1.00 0.00 C ATOM 0 H ALA A 83 4.500 1.417 3.626 1.00 0.00 H new ATOM 0 HA ALA A 83 5.067 -1.269 2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.362 -1.933 4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.645 -0.968 4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.070 -0.224 4.585 1.00 0.00 H new ATOM 1277 N PHE A 84 3.384 -1.370 0.813 1.00 0.00 N ATOM 1278 CA PHE A 84 2.409 -1.464 -0.261 1.00 0.00 C ATOM 1279 C PHE A 84 1.447 -2.630 -0.028 1.00 0.00 C ATOM 1280 O PHE A 84 1.823 -3.643 0.560 1.00 0.00 O ATOM 1281 CB PHE A 84 3.191 -1.713 -1.553 1.00 0.00 C ATOM 1282 CG PHE A 84 4.710 -1.665 -1.381 1.00 0.00 C ATOM 1283 CD1 PHE A 84 5.340 -0.468 -1.235 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.430 -2.819 -1.374 1.00 0.00 C ATOM 1285 CE1 PHE A 84 6.750 -0.424 -1.075 1.00 0.00 C ATOM 1286 CE2 PHE A 84 6.841 -2.773 -1.214 1.00 0.00 C ATOM 1287 CZ PHE A 84 7.471 -1.577 -1.068 1.00 0.00 C ATOM 0 H PHE A 84 4.175 -2.008 0.728 1.00 0.00 H new ATOM 0 HA PHE A 84 1.821 -0.548 -0.311 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.912 -2.688 -1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.896 -0.969 -2.293 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.768 0.448 -1.241 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.930 -3.769 -1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.250 0.526 -0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.414 -3.689 -1.208 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.544 -1.543 -0.947 1.00 0.00 H new ATOM 1297 N ILE A 85 0.222 -2.447 -0.500 1.00 0.00 N ATOM 1298 CA ILE A 85 -0.797 -3.472 -0.351 1.00 0.00 C ATOM 1299 C ILE A 85 -1.265 -3.926 -1.735 1.00 0.00 C ATOM 1300 O ILE A 85 -1.469 -3.103 -2.626 1.00 0.00 O ATOM 1301 CB ILE A 85 -1.930 -2.972 0.548 1.00 0.00 C ATOM 1302 CG1 ILE A 85 -1.809 -3.555 1.958 1.00 0.00 C ATOM 1303 CG2 ILE A 85 -3.296 -3.265 -0.078 1.00 0.00 C ATOM 1304 CD1 ILE A 85 -1.409 -2.474 2.964 1.00 0.00 C ATOM 0 H ILE A 85 -0.087 -1.605 -0.985 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.386 -4.349 0.149 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.842 -1.889 0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.759 -4.000 2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.068 -4.354 1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.084 -2.900 0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.369 -2.764 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.409 -4.340 -0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.330 -2.914 3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.447 -2.048 2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.165 -1.689 2.974 1.00 0.00 H new ATOM 1316 N ILE A 86 -1.421 -5.234 -1.873 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.861 -5.808 -3.132 1.00 0.00 C ATOM 1318 C ILE A 86 -2.980 -6.816 -2.866 1.00 0.00 C ATOM 1319 O ILE A 86 -2.749 -7.856 -2.250 1.00 0.00 O ATOM 1320 CB ILE A 86 -0.674 -6.395 -3.898 1.00 0.00 C ATOM 1321 CG1 ILE A 86 0.467 -6.758 -2.945 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -0.213 -5.447 -5.007 1.00 0.00 C ATOM 1323 CD1 ILE A 86 1.400 -7.793 -3.575 1.00 0.00 C ATOM 0 H ILE A 86 -1.250 -5.914 -1.132 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.276 -5.034 -3.778 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.000 -7.318 -4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.032 -5.861 -2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.057 -7.151 -2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.632 -5.889 -5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.032 -5.280 -5.707 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.090 -4.496 -4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.202 -8.033 -2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.837 -8.697 -3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.827 -7.387 -4.492 1.00 0.00 H new ATOM 1335 N LEU A 87 -4.167 -6.475 -3.343 1.00 0.00 N ATOM 1336 CA LEU A 87 -5.323 -7.338 -3.166 1.00 0.00 C ATOM 1337 C LEU A 87 -5.485 -8.228 -4.400 1.00 0.00 C ATOM 1338 O LEU A 87 -5.498 -7.736 -5.527 1.00 0.00 O ATOM 1339 CB LEU A 87 -6.566 -6.508 -2.838 1.00 0.00 C ATOM 1340 CG LEU A 87 -7.623 -6.421 -3.940 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -7.048 -5.775 -5.201 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.232 -7.795 -4.227 1.00 0.00 C ATOM 0 H LEU A 87 -4.354 -5.612 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.176 -8.001 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.033 -6.926 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.247 -5.496 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.430 -5.779 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.820 -5.725 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.702 -4.768 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.211 -6.371 -5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.980 -7.704 -5.014 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.448 -8.480 -4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.702 -8.181 -3.322 1.00 0.00 H new ATOM 1354 N THR A 88 -5.604 -9.523 -4.144 1.00 0.00 N ATOM 1355 CA THR A 88 -5.765 -10.486 -5.220 1.00 0.00 C ATOM 1356 C THR A 88 -6.523 -11.718 -4.723 1.00 0.00 C ATOM 1357 O THR A 88 -6.615 -11.951 -3.519 1.00 0.00 O ATOM 1358 CB THR A 88 -4.377 -10.810 -5.776 1.00 0.00 C ATOM 1359 OG1 THR A 88 -4.570 -12.015 -6.512 1.00 0.00 O ATOM 1360 CG2 THR A 88 -3.383 -11.197 -4.680 1.00 0.00 C ATOM 0 H THR A 88 -5.592 -9.927 -3.208 1.00 0.00 H new ATOM 0 HA THR A 88 -6.368 -10.077 -6.030 1.00 0.00 H new ATOM 0 HB THR A 88 -3.995 -9.948 -6.324 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.184 -11.917 -7.407 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.414 -11.417 -5.129 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.278 -10.371 -3.976 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.747 -12.079 -4.153 1.00 0.00 H new ATOM 1368 N ALA A 89 -7.047 -12.475 -5.676 1.00 0.00 N ATOM 1369 CA ALA A 89 -7.794 -13.678 -5.351 1.00 0.00 C ATOM 1370 C ALA A 89 -6.816 -14.805 -5.013 1.00 0.00 C ATOM 1371 O ALA A 89 -7.042 -15.957 -5.378 1.00 0.00 O ATOM 1372 CB ALA A 89 -8.717 -14.037 -6.518 1.00 0.00 C ATOM 0 H ALA A 89 -6.969 -12.278 -6.674 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.423 -13.514 -4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.277 -14.940 -6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.411 -13.216 -6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.120 -14.211 -7.413 1.00 0.00 H new ATOM 1378 N GLN A 90 -5.750 -14.432 -4.319 1.00 0.00 N ATOM 1379 CA GLN A 90 -4.738 -15.397 -3.928 1.00 0.00 C ATOM 1380 C GLN A 90 -4.514 -15.349 -2.415 1.00 0.00 C ATOM 1381 O GLN A 90 -4.709 -16.346 -1.723 1.00 0.00 O ATOM 1382 CB GLN A 90 -3.428 -15.155 -4.683 1.00 0.00 C ATOM 1383 CG GLN A 90 -3.514 -15.689 -6.114 1.00 0.00 C ATOM 1384 CD GLN A 90 -3.632 -14.543 -7.121 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -4.693 -14.254 -7.651 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -2.487 -13.910 -7.355 1.00 0.00 N ATOM 0 H GLN A 90 -5.566 -13.475 -4.018 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.094 -16.393 -4.192 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.207 -14.088 -4.702 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.606 -15.642 -4.158 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.629 -16.284 -6.337 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.375 -16.350 -6.208 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.635 -14.203 -6.877 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.460 -13.131 -8.013 1.00 0.00 H new ATOM 1395 N GLY A 91 -4.109 -14.178 -1.946 1.00 0.00 N ATOM 1396 CA GLY A 91 -3.857 -13.986 -0.528 1.00 0.00 C ATOM 1397 C GLY A 91 -3.094 -15.176 0.059 1.00 0.00 C ATOM 1398 O GLY A 91 -3.668 -15.991 0.780 1.00 0.00 O ATOM 0 H GLY A 91 -3.949 -13.352 -2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.283 -13.071 -0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.803 -13.860 -0.001 1.00 0.00 H new ATOM 1402 N ASP A 92 -1.813 -15.237 -0.271 1.00 0.00 N ATOM 1403 CA ASP A 92 -0.966 -16.313 0.214 1.00 0.00 C ATOM 1404 C ASP A 92 0.273 -15.718 0.886 1.00 0.00 C ATOM 1405 O ASP A 92 0.999 -14.934 0.275 1.00 0.00 O ATOM 1406 CB ASP A 92 -0.497 -17.206 -0.936 1.00 0.00 C ATOM 1407 CG ASP A 92 -0.908 -18.675 -0.824 1.00 0.00 C ATOM 1408 OD1 ASP A 92 -0.278 -19.380 -0.005 1.00 0.00 O ATOM 1409 OD2 ASP A 92 -1.844 -19.061 -1.557 1.00 0.00 O ATOM 0 H ASP A 92 -1.341 -14.559 -0.869 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.547 -16.908 0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.889 -16.805 -1.871 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.590 -17.152 -0.998 1.00 0.00 H new ATOM 1414 N ARG A 93 0.478 -16.111 2.134 1.00 0.00 N ATOM 1415 CA ARG A 93 1.616 -15.626 2.895 1.00 0.00 C ATOM 1416 C ARG A 93 2.916 -15.903 2.139 1.00 0.00 C ATOM 1417 O ARG A 93 3.904 -15.192 2.316 1.00 0.00 O ATOM 1418 CB ARG A 93 1.681 -16.291 4.271 1.00 0.00 C ATOM 1419 CG ARG A 93 1.896 -17.800 4.142 1.00 0.00 C ATOM 1420 CD ARG A 93 1.250 -18.549 5.309 1.00 0.00 C ATOM 1421 NE ARG A 93 2.292 -19.014 6.251 1.00 0.00 N ATOM 1422 CZ ARG A 93 2.100 -19.965 7.176 1.00 0.00 C ATOM 1423 NH1 ARG A 93 0.903 -20.558 7.287 1.00 0.00 N ATOM 1424 NH2 ARG A 93 3.103 -20.324 7.988 1.00 0.00 N ATOM 0 H ARG A 93 -0.126 -16.761 2.638 1.00 0.00 H new ATOM 0 HA ARG A 93 1.493 -14.551 3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.492 -15.853 4.852 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.757 -16.097 4.816 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.473 -18.152 3.201 1.00 0.00 H new ATOM 0 HG3 ARG A 93 2.964 -18.017 4.113 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.546 -17.896 5.826 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.680 -19.400 4.935 1.00 0.00 H new ATOM 0 HE ARG A 93 3.215 -18.584 6.193 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.139 -20.285 6.668 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.756 -21.282 7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.014 -19.874 7.903 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.956 -21.048 8.691 1.00 0.00 H new ATOM 1438 N ALA A 94 2.874 -16.939 1.314 1.00 0.00 N ATOM 1439 CA ALA A 94 4.038 -17.319 0.531 1.00 0.00 C ATOM 1440 C ALA A 94 4.437 -16.155 -0.378 1.00 0.00 C ATOM 1441 O ALA A 94 5.608 -15.780 -0.434 1.00 0.00 O ATOM 1442 CB ALA A 94 3.729 -18.595 -0.257 1.00 0.00 C ATOM 0 H ALA A 94 2.053 -17.527 1.171 1.00 0.00 H new ATOM 0 HA ALA A 94 4.885 -17.535 1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.602 -18.880 -0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.479 -19.399 0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.886 -18.416 -0.924 1.00 0.00 H new ATOM 1448 N LEU A 95 3.443 -15.618 -1.069 1.00 0.00 N ATOM 1449 CA LEU A 95 3.676 -14.504 -1.974 1.00 0.00 C ATOM 1450 C LEU A 95 4.110 -13.279 -1.166 1.00 0.00 C ATOM 1451 O LEU A 95 4.938 -12.492 -1.622 1.00 0.00 O ATOM 1452 CB LEU A 95 2.447 -14.259 -2.850 1.00 0.00 C ATOM 1453 CG LEU A 95 2.236 -15.244 -4.001 1.00 0.00 C ATOM 1454 CD1 LEU A 95 0.892 -15.964 -3.867 1.00 0.00 C ATOM 1455 CD2 LEU A 95 2.380 -14.545 -5.354 1.00 0.00 C ATOM 0 H LEU A 95 2.474 -15.933 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 95 4.488 -14.736 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.562 -14.280 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.517 -13.254 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 95 3.015 -16.004 -3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.767 -16.658 -4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.866 -16.515 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.084 -15.232 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.225 -15.268 -6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.638 -13.750 -5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.379 -14.118 -5.438 1.00 0.00 H new ATOM 1467 N VAL A 96 3.532 -13.157 0.020 1.00 0.00 N ATOM 1468 CA VAL A 96 3.848 -12.041 0.896 1.00 0.00 C ATOM 1469 C VAL A 96 5.339 -12.076 1.241 1.00 0.00 C ATOM 1470 O VAL A 96 6.024 -11.058 1.153 1.00 0.00 O ATOM 1471 CB VAL A 96 2.948 -12.074 2.131 1.00 0.00 C ATOM 1472 CG1 VAL A 96 3.261 -10.906 3.070 1.00 0.00 C ATOM 1473 CG2 VAL A 96 1.470 -12.077 1.734 1.00 0.00 C ATOM 0 H VAL A 96 2.847 -13.813 0.395 1.00 0.00 H new ATOM 0 HA VAL A 96 3.652 -11.094 0.394 1.00 0.00 H new ATOM 0 HB VAL A 96 3.152 -13.000 2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.607 -10.953 3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.300 -10.968 3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.100 -9.964 2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.852 -12.101 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.245 -11.177 1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.259 -12.956 1.125 1.00 0.00 H new ATOM 1483 N GLN A 97 5.797 -13.258 1.626 1.00 0.00 N ATOM 1484 CA GLN A 97 7.194 -13.438 1.984 1.00 0.00 C ATOM 1485 C GLN A 97 8.073 -13.391 0.732 1.00 0.00 C ATOM 1486 O GLN A 97 9.232 -12.986 0.800 1.00 0.00 O ATOM 1487 CB GLN A 97 7.398 -14.747 2.749 1.00 0.00 C ATOM 1488 CG GLN A 97 8.057 -14.492 4.106 1.00 0.00 C ATOM 1489 CD GLN A 97 9.211 -15.468 4.348 1.00 0.00 C ATOM 1490 OE1 GLN A 97 9.160 -16.326 5.213 1.00 0.00 O ATOM 1491 NE2 GLN A 97 10.250 -15.290 3.537 1.00 0.00 N ATOM 0 H GLN A 97 5.226 -14.100 1.698 1.00 0.00 H new ATOM 0 HA GLN A 97 7.490 -12.621 2.642 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.437 -15.241 2.894 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.018 -15.423 2.161 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.428 -13.468 4.147 1.00 0.00 H new ATOM 0 HG3 GLN A 97 7.316 -14.595 4.899 1.00 0.00 H new ATOM 0 HE21 GLN A 97 10.227 -14.552 2.834 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.070 -15.892 3.618 1.00 0.00 H new ATOM 1500 N LYS A 98 7.489 -13.813 -0.379 1.00 0.00 N ATOM 1501 CA LYS A 98 8.204 -13.824 -1.643 1.00 0.00 C ATOM 1502 C LYS A 98 8.619 -12.396 -2.002 1.00 0.00 C ATOM 1503 O LYS A 98 9.800 -12.123 -2.210 1.00 0.00 O ATOM 1504 CB LYS A 98 7.370 -14.513 -2.726 1.00 0.00 C ATOM 1505 CG LYS A 98 8.253 -14.979 -3.885 1.00 0.00 C ATOM 1506 CD LYS A 98 7.470 -15.880 -4.842 1.00 0.00 C ATOM 1507 CE LYS A 98 7.434 -17.322 -4.332 1.00 0.00 C ATOM 1508 NZ LYS A 98 6.477 -18.128 -5.123 1.00 0.00 N ATOM 0 H LYS A 98 6.528 -14.150 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 98 9.119 -14.410 -1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.846 -15.367 -2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.610 -13.825 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.636 -14.114 -4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.116 -15.519 -3.495 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.453 -15.504 -4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.928 -15.852 -5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.429 -17.762 -4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.147 -17.335 -3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.465 -19.104 -4.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.525 -17.717 -5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.767 -18.130 -6.122 1.00 0.00 H new ATOM 1522 N ALA A 99 7.624 -11.523 -2.064 1.00 0.00 N ATOM 1523 CA ALA A 99 7.872 -10.129 -2.394 1.00 0.00 C ATOM 1524 C ALA A 99 8.526 -9.435 -1.199 1.00 0.00 C ATOM 1525 O ALA A 99 9.525 -8.734 -1.353 1.00 0.00 O ATOM 1526 CB ALA A 99 6.558 -9.463 -2.810 1.00 0.00 C ATOM 0 H ALA A 99 6.645 -11.753 -1.892 1.00 0.00 H new ATOM 0 HA ALA A 99 8.559 -10.049 -3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.742 -8.418 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.150 -9.976 -3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.845 -9.521 -1.988 1.00 0.00 H new ATOM 1532 N ALA A 100 7.935 -9.653 -0.032 1.00 0.00 N ATOM 1533 CA ALA A 100 8.448 -9.057 1.189 1.00 0.00 C ATOM 1534 C ALA A 100 9.932 -9.401 1.337 1.00 0.00 C ATOM 1535 O ALA A 100 10.690 -8.647 1.944 1.00 0.00 O ATOM 1536 CB ALA A 100 7.617 -9.538 2.380 1.00 0.00 C ATOM 0 H ALA A 100 7.106 -10.234 0.093 1.00 0.00 H new ATOM 0 HA ALA A 100 8.364 -7.971 1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.002 -9.091 3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.577 -9.243 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.679 -10.624 2.452 1.00 0.00 H new ATOM 1542 N ALA A 101 10.302 -10.539 0.768 1.00 0.00 N ATOM 1543 CA ALA A 101 11.681 -10.992 0.828 1.00 0.00 C ATOM 1544 C ALA A 101 12.415 -10.546 -0.438 1.00 0.00 C ATOM 1545 O ALA A 101 13.639 -10.435 -0.442 1.00 0.00 O ATOM 1546 CB ALA A 101 11.712 -12.511 1.016 1.00 0.00 C ATOM 0 H ALA A 101 9.670 -11.161 0.263 1.00 0.00 H new ATOM 0 HA ALA A 101 12.194 -10.548 1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.747 -12.851 1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.203 -12.773 1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.208 -12.992 0.177 1.00 0.00 H new ATOM 1552 N LEU A 102 11.635 -10.303 -1.482 1.00 0.00 N ATOM 1553 CA LEU A 102 12.196 -9.872 -2.750 1.00 0.00 C ATOM 1554 C LEU A 102 12.823 -8.487 -2.582 1.00 0.00 C ATOM 1555 O LEU A 102 13.681 -8.090 -3.367 1.00 0.00 O ATOM 1556 CB LEU A 102 11.138 -9.938 -3.853 1.00 0.00 C ATOM 1557 CG LEU A 102 11.668 -10.017 -5.287 1.00 0.00 C ATOM 1558 CD1 LEU A 102 12.588 -8.834 -5.597 1.00 0.00 C ATOM 1559 CD2 LEU A 102 12.354 -11.360 -5.544 1.00 0.00 C ATOM 0 H LEU A 102 10.619 -10.397 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 102 12.993 -10.547 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.506 -10.808 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.500 -9.058 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 102 10.820 -9.953 -5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.951 -8.914 -6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.035 -7.902 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.435 -8.842 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.721 -11.390 -6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.190 -11.479 -4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.640 -12.169 -5.390 1.00 0.00 H new ATOM 1571 N GLY A 103 12.369 -7.789 -1.551 1.00 0.00 N ATOM 1572 CA GLY A 103 12.875 -6.456 -1.268 1.00 0.00 C ATOM 1573 C GLY A 103 11.752 -5.532 -0.792 1.00 0.00 C ATOM 1574 O GLY A 103 12.010 -4.508 -0.163 1.00 0.00 O ATOM 0 H GLY A 103 11.656 -8.121 -0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.652 -6.512 -0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.337 -6.041 -2.164 1.00 0.00 H new ATOM 1578 N ALA A 104 10.528 -5.930 -1.110 1.00 0.00 N ATOM 1579 CA ALA A 104 9.365 -5.151 -0.723 1.00 0.00 C ATOM 1580 C ALA A 104 9.503 -4.728 0.740 1.00 0.00 C ATOM 1581 O ALA A 104 9.974 -5.502 1.572 1.00 0.00 O ATOM 1582 CB ALA A 104 8.096 -5.967 -0.976 1.00 0.00 C ATOM 0 H ALA A 104 10.317 -6.781 -1.631 1.00 0.00 H new ATOM 0 HA ALA A 104 9.295 -4.244 -1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.223 -5.382 -0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.029 -6.217 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.130 -6.884 -0.388 1.00 0.00 H new ATOM 1588 N ASN A 105 9.085 -3.500 1.010 1.00 0.00 N ATOM 1589 CA ASN A 105 9.157 -2.964 2.359 1.00 0.00 C ATOM 1590 C ASN A 105 8.123 -3.670 3.239 1.00 0.00 C ATOM 1591 O ASN A 105 8.413 -4.028 4.379 1.00 0.00 O ATOM 1592 CB ASN A 105 8.848 -1.465 2.374 1.00 0.00 C ATOM 1593 CG ASN A 105 8.779 -0.934 3.808 1.00 0.00 C ATOM 1594 OD1 ASN A 105 9.784 -0.681 4.452 1.00 0.00 O ATOM 1595 ND2 ASN A 105 7.541 -0.780 4.269 1.00 0.00 N ATOM 0 H ASN A 105 8.695 -2.861 0.317 1.00 0.00 H new ATOM 0 HA ASN A 105 10.168 -3.127 2.733 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.616 -0.926 1.819 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.900 -1.280 1.868 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.389 -0.431 5.215 1.00 0.00 H new ATOM 0 HD22 ASN A 105 6.744 -1.011 3.676 1.00 0.00 H new ATOM 1602 N ASN A 106 6.936 -3.848 2.675 1.00 0.00 N ATOM 1603 CA ASN A 106 5.858 -4.503 3.394 1.00 0.00 C ATOM 1604 C ASN A 106 4.690 -4.750 2.437 1.00 0.00 C ATOM 1605 O ASN A 106 4.212 -3.824 1.784 1.00 0.00 O ATOM 1606 CB ASN A 106 5.351 -3.630 4.544 1.00 0.00 C ATOM 1607 CG ASN A 106 5.374 -4.398 5.867 1.00 0.00 C ATOM 1608 OD1 ASN A 106 5.260 -5.612 5.912 1.00 0.00 O ATOM 1609 ND2 ASN A 106 5.526 -3.625 6.939 1.00 0.00 N ATOM 0 H ASN A 106 6.699 -3.550 1.729 1.00 0.00 H new ATOM 0 HA ASN A 106 6.242 -5.440 3.796 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.970 -2.737 4.627 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.336 -3.296 4.331 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.553 -4.043 7.869 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.616 -2.615 6.831 1.00 0.00 H new ATOM 1616 N VAL A 107 4.264 -6.004 2.386 1.00 0.00 N ATOM 1617 CA VAL A 107 3.160 -6.383 1.520 1.00 0.00 C ATOM 1618 C VAL A 107 1.971 -6.820 2.379 1.00 0.00 C ATOM 1619 O VAL A 107 2.054 -7.813 3.101 1.00 0.00 O ATOM 1620 CB VAL A 107 3.615 -7.463 0.535 1.00 0.00 C ATOM 1621 CG1 VAL A 107 3.817 -8.803 1.245 1.00 0.00 C ATOM 1622 CG2 VAL A 107 2.625 -7.600 -0.624 1.00 0.00 C ATOM 0 H VAL A 107 4.663 -6.769 2.930 1.00 0.00 H new ATOM 0 HA VAL A 107 2.834 -5.532 0.922 1.00 0.00 H new ATOM 0 HB VAL A 107 4.575 -7.156 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.140 -9.553 0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 107 4.577 -8.694 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.878 -9.119 1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.972 -8.374 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.644 -7.873 -0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.553 -6.651 -1.155 1.00 0.00 H new ATOM 1632 N LEU A 108 0.893 -6.058 2.270 1.00 0.00 N ATOM 1633 CA LEU A 108 -0.312 -6.355 3.028 1.00 0.00 C ATOM 1634 C LEU A 108 -1.445 -6.702 2.060 1.00 0.00 C ATOM 1635 O LEU A 108 -1.417 -6.303 0.896 1.00 0.00 O ATOM 1636 CB LEU A 108 -0.645 -5.202 3.977 1.00 0.00 C ATOM 1637 CG LEU A 108 -0.364 -5.451 5.460 1.00 0.00 C ATOM 1638 CD1 LEU A 108 0.973 -6.168 5.652 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -0.438 -4.148 6.258 1.00 0.00 C ATOM 0 H LEU A 108 0.828 -5.236 1.669 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.158 -7.227 3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.080 -4.325 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.701 -4.958 3.864 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.140 -6.110 5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.148 -6.333 6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.949 -7.127 5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.776 -5.556 5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.234 -4.353 7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.302 -3.445 5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.434 -3.717 6.159 1.00 0.00 H new ATOM 1651 N ALA A 109 -2.414 -7.443 2.577 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.555 -7.849 1.772 1.00 0.00 C ATOM 1653 C ALA A 109 -4.796 -7.081 2.233 1.00 0.00 C ATOM 1654 O ALA A 109 -4.832 -6.561 3.347 1.00 0.00 O ATOM 1655 CB ALA A 109 -3.737 -9.364 1.872 1.00 0.00 C ATOM 0 H ALA A 109 -2.433 -7.773 3.542 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.389 -7.610 0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -4.592 -9.668 1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.839 -9.863 1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.909 -9.642 2.912 1.00 0.00 H new ATOM 1661 N LYS A 110 -5.785 -7.034 1.350 1.00 0.00 N ATOM 1662 CA LYS A 110 -7.023 -6.338 1.652 1.00 0.00 C ATOM 1663 C LYS A 110 -8.145 -7.363 1.842 1.00 0.00 C ATOM 1664 O LYS A 110 -8.944 -7.589 0.934 1.00 0.00 O ATOM 1665 CB LYS A 110 -7.324 -5.289 0.579 1.00 0.00 C ATOM 1666 CG LYS A 110 -6.285 -4.168 0.602 1.00 0.00 C ATOM 1667 CD LYS A 110 -6.002 -3.652 -0.809 1.00 0.00 C ATOM 1668 CE LYS A 110 -7.295 -3.540 -1.622 1.00 0.00 C ATOM 1669 NZ LYS A 110 -7.025 -2.936 -2.945 1.00 0.00 N ATOM 0 H LYS A 110 -5.753 -7.467 0.427 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.932 -5.786 2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.333 -5.761 -0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.318 -4.872 0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.642 -3.350 1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.361 -4.533 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -5.518 -2.677 -0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.308 -4.324 -1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.737 -4.528 -1.750 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.021 -2.934 -1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -7.925 -2.743 -3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.501 -2.046 -2.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.459 -3.594 -3.518 1.00 0.00 H new ATOM 1683 N PRO A 111 -8.169 -7.970 3.058 1.00 0.00 N ATOM 1684 CA PRO A 111 -9.178 -8.965 3.379 1.00 0.00 C ATOM 1685 C PRO A 111 -10.533 -8.305 3.643 1.00 0.00 C ATOM 1686 O PRO A 111 -10.597 -7.123 3.978 1.00 0.00 O ATOM 1687 CB PRO A 111 -8.631 -9.705 4.589 1.00 0.00 C ATOM 1688 CG PRO A 111 -7.563 -8.800 5.182 1.00 0.00 C ATOM 1689 CD PRO A 111 -7.238 -7.727 4.157 1.00 0.00 C ATOM 0 HA PRO A 111 -9.363 -9.657 2.557 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -9.420 -9.905 5.314 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -8.211 -10.669 4.301 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -7.917 -8.348 6.108 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -6.670 -9.375 5.429 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.369 -6.728 4.574 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -6.203 -7.799 3.823 1.00 0.00 H new ATOM 1697 N PHE A 112 -11.582 -9.097 3.482 1.00 0.00 N ATOM 1698 CA PHE A 112 -12.932 -8.605 3.700 1.00 0.00 C ATOM 1699 C PHE A 112 -13.277 -8.590 5.190 1.00 0.00 C ATOM 1700 O PHE A 112 -14.331 -8.092 5.582 1.00 0.00 O ATOM 1701 CB PHE A 112 -13.880 -9.567 2.980 1.00 0.00 C ATOM 1702 CG PHE A 112 -14.158 -9.191 1.523 1.00 0.00 C ATOM 1703 CD1 PHE A 112 -14.799 -8.027 1.231 1.00 0.00 C ATOM 1704 CD2 PHE A 112 -13.765 -10.021 0.519 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -15.058 -7.679 -0.121 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -14.024 -9.672 -0.833 1.00 0.00 C ATOM 1707 CZ PHE A 112 -14.665 -8.509 -1.124 1.00 0.00 C ATOM 0 H PHE A 112 -11.525 -10.076 3.203 1.00 0.00 H new ATOM 0 HA PHE A 112 -13.021 -7.586 3.323 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -13.456 -10.571 3.011 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -14.825 -9.604 3.522 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -15.111 -7.368 2.028 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -13.256 -10.945 0.750 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -15.567 -6.755 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -13.712 -10.331 -1.630 1.00 0.00 H new ATOM 0 HZ PHE A 112 -14.862 -8.244 -2.152 1.00 0.00 H new ATOM 1717 N THR A 113 -12.367 -9.140 5.981 1.00 0.00 N ATOM 1718 CA THR A 113 -12.561 -9.196 7.420 1.00 0.00 C ATOM 1719 C THR A 113 -11.751 -8.096 8.111 1.00 0.00 C ATOM 1720 O THR A 113 -10.638 -7.784 7.691 1.00 0.00 O ATOM 1721 CB THR A 113 -12.198 -10.604 7.892 1.00 0.00 C ATOM 1722 OG1 THR A 113 -12.541 -11.440 6.790 1.00 0.00 O ATOM 1723 CG2 THR A 113 -13.103 -11.094 9.025 1.00 0.00 C ATOM 0 H THR A 113 -11.493 -9.551 5.652 1.00 0.00 H new ATOM 0 HA THR A 113 -13.601 -9.007 7.686 1.00 0.00 H new ATOM 0 HB THR A 113 -11.160 -10.618 8.224 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.336 -12.373 7.011 1.00 0.00 H new ATOM 0 HG21 THR A 113 -12.802 -12.099 9.322 1.00 0.00 H new ATOM 0 HG22 THR A 113 -13.015 -10.421 9.878 1.00 0.00 H new ATOM 0 HG23 THR A 113 -14.138 -11.112 8.682 1.00 0.00 H new ATOM 1731 N ILE A 114 -12.343 -7.538 9.157 1.00 0.00 N ATOM 1732 CA ILE A 114 -11.690 -6.480 9.908 1.00 0.00 C ATOM 1733 C ILE A 114 -10.533 -7.072 10.715 1.00 0.00 C ATOM 1734 O ILE A 114 -9.570 -6.374 11.028 1.00 0.00 O ATOM 1735 CB ILE A 114 -12.710 -5.722 10.762 1.00 0.00 C ATOM 1736 CG1 ILE A 114 -13.624 -6.692 11.514 1.00 0.00 C ATOM 1737 CG2 ILE A 114 -13.503 -4.727 9.913 1.00 0.00 C ATOM 1738 CD1 ILE A 114 -14.134 -6.068 12.815 1.00 0.00 C ATOM 0 H ILE A 114 -13.267 -7.799 9.502 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.262 -5.741 9.231 1.00 0.00 H new ATOM 0 HB ILE A 114 -12.168 -5.145 11.511 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -14.469 -6.965 10.882 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -13.081 -7.611 11.736 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -14.221 -4.202 10.543 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -12.820 -4.007 9.463 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -14.035 -5.263 9.127 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -14.781 -6.778 13.330 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -13.288 -5.818 13.455 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -14.697 -5.163 12.588 1.00 0.00 H new ATOM 1750 N GLU A 115 -10.665 -8.353 11.027 1.00 0.00 N ATOM 1751 CA GLU A 115 -9.642 -9.046 11.791 1.00 0.00 C ATOM 1752 C GLU A 115 -8.344 -9.130 10.986 1.00 0.00 C ATOM 1753 O GLU A 115 -7.263 -8.882 11.517 1.00 0.00 O ATOM 1754 CB GLU A 115 -10.119 -10.440 12.207 1.00 0.00 C ATOM 1755 CG GLU A 115 -9.885 -10.675 13.700 1.00 0.00 C ATOM 1756 CD GLU A 115 -10.074 -12.150 14.059 1.00 0.00 C ATOM 1757 OE1 GLU A 115 -11.248 -12.549 14.221 1.00 0.00 O ATOM 1758 OE2 GLU A 115 -9.042 -12.846 14.164 1.00 0.00 O ATOM 0 H GLU A 115 -11.465 -8.929 10.764 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.447 -8.477 12.700 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.180 -10.548 11.980 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.590 -11.197 11.628 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.877 -10.358 13.968 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -10.576 -10.064 14.281 1.00 0.00 H new ATOM 1765 N LYS A 116 -8.494 -9.479 9.716 1.00 0.00 N ATOM 1766 CA LYS A 116 -7.347 -9.598 8.832 1.00 0.00 C ATOM 1767 C LYS A 116 -6.851 -8.200 8.456 1.00 0.00 C ATOM 1768 O LYS A 116 -5.650 -7.935 8.481 1.00 0.00 O ATOM 1769 CB LYS A 116 -7.688 -10.474 7.625 1.00 0.00 C ATOM 1770 CG LYS A 116 -8.149 -11.863 8.069 1.00 0.00 C ATOM 1771 CD LYS A 116 -7.219 -12.950 7.526 1.00 0.00 C ATOM 1772 CE LYS A 116 -6.405 -13.589 8.654 1.00 0.00 C ATOM 1773 NZ LYS A 116 -4.972 -13.654 8.286 1.00 0.00 N ATOM 0 H LYS A 116 -9.393 -9.683 9.279 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.526 -10.103 9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -8.472 -9.998 7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.815 -10.566 6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -8.173 -11.911 9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -9.166 -12.042 7.719 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -7.806 -13.715 7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -6.545 -12.520 6.785 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -6.526 -13.011 9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -6.780 -14.592 8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.434 -14.090 9.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -4.861 -14.225 7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.614 -12.693 8.114 1.00 0.00 H new ATOM 1787 N MET A 117 -7.801 -7.341 8.116 1.00 0.00 N ATOM 1788 CA MET A 117 -7.476 -5.977 7.736 1.00 0.00 C ATOM 1789 C MET A 117 -6.874 -5.208 8.913 1.00 0.00 C ATOM 1790 O MET A 117 -5.920 -4.450 8.743 1.00 0.00 O ATOM 1791 CB MET A 117 -8.742 -5.265 7.255 1.00 0.00 C ATOM 1792 CG MET A 117 -8.423 -4.277 6.131 1.00 0.00 C ATOM 1793 SD MET A 117 -9.877 -3.324 5.725 1.00 0.00 S ATOM 1794 CE MET A 117 -9.962 -3.623 3.968 1.00 0.00 C ATOM 0 H MET A 117 -8.796 -7.564 8.096 1.00 0.00 H new ATOM 0 HA MET A 117 -6.740 -6.010 6.933 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.465 -6.000 6.903 1.00 0.00 H new ATOM 0 HB3 MET A 117 -9.205 -4.736 8.088 1.00 0.00 H new ATOM 0 HG2 MET A 117 -7.616 -3.612 6.439 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.074 -4.816 5.250 1.00 0.00 H new ATOM 0 HE1 MET A 117 -10.987 -3.483 3.624 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.306 -2.925 3.448 1.00 0.00 H new ATOM 0 HE3 MET A 117 -9.645 -4.644 3.757 1.00 0.00 H new ATOM 1804 N LYS A 118 -7.457 -5.429 10.084 1.00 0.00 N ATOM 1805 CA LYS A 118 -6.989 -4.766 11.289 1.00 0.00 C ATOM 1806 C LYS A 118 -5.611 -5.314 11.665 1.00 0.00 C ATOM 1807 O LYS A 118 -4.785 -4.595 12.226 1.00 0.00 O ATOM 1808 CB LYS A 118 -8.027 -4.893 12.406 1.00 0.00 C ATOM 1809 CG LYS A 118 -7.580 -4.136 13.658 1.00 0.00 C ATOM 1810 CD LYS A 118 -8.710 -4.059 14.685 1.00 0.00 C ATOM 1811 CE LYS A 118 -8.501 -5.079 15.808 1.00 0.00 C ATOM 1812 NZ LYS A 118 -8.885 -4.497 17.114 1.00 0.00 N ATOM 0 H LYS A 118 -8.248 -6.057 10.223 1.00 0.00 H new ATOM 0 HA LYS A 118 -6.870 -3.697 11.115 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -8.985 -4.502 12.063 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -8.180 -5.945 12.648 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -6.716 -4.634 14.099 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -7.263 -3.130 13.385 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -8.756 -3.054 15.105 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -9.666 -4.244 14.194 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -9.095 -5.972 15.612 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -7.457 -5.391 15.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -8.737 -5.201 17.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -8.300 -3.659 17.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -9.888 -4.222 17.090 1.00 0.00 H new ATOM 1826 N ALA A 119 -5.406 -6.582 11.342 1.00 0.00 N ATOM 1827 CA ALA A 119 -4.141 -7.234 11.640 1.00 0.00 C ATOM 1828 C ALA A 119 -3.069 -6.721 10.677 1.00 0.00 C ATOM 1829 O ALA A 119 -1.951 -6.416 11.092 1.00 0.00 O ATOM 1830 CB ALA A 119 -4.318 -8.752 11.561 1.00 0.00 C ATOM 0 H ALA A 119 -6.093 -7.175 10.877 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.815 -6.996 12.653 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -3.370 -9.241 11.784 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.069 -9.069 12.285 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.641 -9.029 10.558 1.00 0.00 H new ATOM 1836 N ALA A 120 -3.446 -6.643 9.409 1.00 0.00 N ATOM 1837 CA ALA A 120 -2.530 -6.172 8.384 1.00 0.00 C ATOM 1838 C ALA A 120 -2.029 -4.775 8.755 1.00 0.00 C ATOM 1839 O ALA A 120 -0.822 -4.539 8.811 1.00 0.00 O ATOM 1840 CB ALA A 120 -3.230 -6.197 7.023 1.00 0.00 C ATOM 0 H ALA A 120 -4.373 -6.898 9.068 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.661 -6.827 8.317 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.543 -5.844 6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.540 -7.216 6.792 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.106 -5.549 7.052 1.00 0.00 H new ATOM 1846 N ILE A 121 -2.979 -3.887 9.002 1.00 0.00 N ATOM 1847 CA ILE A 121 -2.649 -2.519 9.368 1.00 0.00 C ATOM 1848 C ILE A 121 -1.759 -2.529 10.611 1.00 0.00 C ATOM 1849 O ILE A 121 -0.771 -1.800 10.679 1.00 0.00 O ATOM 1850 CB ILE A 121 -3.921 -1.685 9.528 1.00 0.00 C ATOM 1851 CG1 ILE A 121 -4.976 -2.443 10.336 1.00 0.00 C ATOM 1852 CG2 ILE A 121 -4.457 -1.234 8.168 1.00 0.00 C ATOM 1853 CD1 ILE A 121 -5.249 -1.747 11.671 1.00 0.00 C ATOM 0 H ILE A 121 -3.978 -4.087 8.956 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.080 -2.039 8.572 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.670 -0.785 10.089 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.900 -2.511 9.762 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.637 -3.463 10.516 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.362 -0.643 8.311 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -3.704 -0.629 7.663 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -4.688 -2.109 7.560 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -6.003 -2.306 12.226 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.329 -1.703 12.253 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.611 -0.735 11.487 1.00 0.00 H new ATOM 1865 N GLU A 122 -2.142 -3.364 11.567 1.00 0.00 N ATOM 1866 CA GLU A 122 -1.391 -3.479 12.805 1.00 0.00 C ATOM 1867 C GLU A 122 0.064 -3.845 12.512 1.00 0.00 C ATOM 1868 O GLU A 122 0.961 -3.506 13.282 1.00 0.00 O ATOM 1869 CB GLU A 122 -2.035 -4.501 13.744 1.00 0.00 C ATOM 1870 CG GLU A 122 -2.924 -3.811 14.780 1.00 0.00 C ATOM 1871 CD GLU A 122 -2.895 -4.559 16.114 1.00 0.00 C ATOM 1872 OE1 GLU A 122 -3.104 -5.791 16.079 1.00 0.00 O ATOM 1873 OE2 GLU A 122 -2.662 -3.882 17.140 1.00 0.00 O ATOM 0 H GLU A 122 -2.963 -3.967 11.508 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.407 -2.512 13.307 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.628 -5.209 13.165 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.259 -5.075 14.250 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -2.587 -2.785 14.927 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -3.948 -3.761 14.410 1.00 0.00 H new ATOM 1880 N ALA A 123 0.255 -4.533 11.395 1.00 0.00 N ATOM 1881 CA ALA A 123 1.587 -4.948 10.990 1.00 0.00 C ATOM 1882 C ALA A 123 2.278 -3.794 10.262 1.00 0.00 C ATOM 1883 O ALA A 123 3.440 -3.494 10.529 1.00 0.00 O ATOM 1884 CB ALA A 123 1.488 -6.207 10.125 1.00 0.00 C ATOM 0 H ALA A 123 -0.491 -4.813 10.758 1.00 0.00 H new ATOM 0 HA ALA A 123 2.193 -5.197 11.861 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.487 -6.519 9.821 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.017 -7.006 10.698 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.889 -5.994 9.240 1.00 0.00 H new ATOM 1890 N VAL A 124 1.533 -3.177 9.357 1.00 0.00 N ATOM 1891 CA VAL A 124 2.059 -2.062 8.588 1.00 0.00 C ATOM 1892 C VAL A 124 2.546 -0.973 9.547 1.00 0.00 C ATOM 1893 O VAL A 124 3.542 -0.303 9.276 1.00 0.00 O ATOM 1894 CB VAL A 124 1.003 -1.561 7.601 1.00 0.00 C ATOM 1895 CG1 VAL A 124 0.248 -0.357 8.170 1.00 0.00 C ATOM 1896 CG2 VAL A 124 1.632 -1.225 6.248 1.00 0.00 C ATOM 0 H VAL A 124 0.569 -3.428 9.139 1.00 0.00 H new ATOM 0 HA VAL A 124 2.915 -2.379 7.992 1.00 0.00 H new ATOM 0 HB VAL A 124 0.283 -2.364 7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -0.497 -0.020 7.449 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -0.248 -0.644 9.097 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.951 0.452 8.370 1.00 0.00 H new ATOM 0 HG21 VAL A 124 0.859 -0.871 5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.384 -0.447 6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.102 -2.117 5.834 1.00 0.00 H new ATOM 1906 N PHE A 125 1.819 -0.828 10.645 1.00 0.00 N ATOM 1907 CA PHE A 125 2.165 0.168 11.645 1.00 0.00 C ATOM 1908 C PHE A 125 3.248 -0.356 12.591 1.00 0.00 C ATOM 1909 O PHE A 125 4.250 0.318 12.826 1.00 0.00 O ATOM 1910 CB PHE A 125 0.896 0.453 12.450 1.00 0.00 C ATOM 1911 CG PHE A 125 -0.032 1.484 11.805 1.00 0.00 C ATOM 1912 CD1 PHE A 125 0.408 2.752 11.585 1.00 0.00 C ATOM 1913 CD2 PHE A 125 -1.298 1.132 11.451 1.00 0.00 C ATOM 1914 CE1 PHE A 125 -0.454 3.708 10.986 1.00 0.00 C ATOM 1915 CE2 PHE A 125 -2.159 2.088 10.852 1.00 0.00 C ATOM 1916 CZ PHE A 125 -1.719 3.356 10.633 1.00 0.00 C ATOM 0 H PHE A 125 0.992 -1.383 10.864 1.00 0.00 H new ATOM 0 HA PHE A 125 2.549 1.065 11.159 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.348 -0.479 12.586 1.00 0.00 H new ATOM 0 HB3 PHE A 125 1.179 0.804 13.442 1.00 0.00 H new ATOM 0 HD1 PHE A 125 1.413 3.032 11.866 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -1.647 0.125 11.626 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -0.105 4.715 10.811 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.163 1.809 10.570 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.375 4.084 10.178 1.00 0.00 H new ATOM 1926 N GLY A 126 3.009 -1.552 13.107 1.00 0.00 N ATOM 1927 CA GLY A 126 3.951 -2.175 14.021 1.00 0.00 C ATOM 1928 C GLY A 126 5.290 -2.444 13.329 1.00 0.00 C ATOM 1929 O GLY A 126 6.285 -1.779 13.616 1.00 0.00 O ATOM 0 H GLY A 126 2.176 -2.107 12.910 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.107 -1.528 14.885 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.536 -3.111 14.395 1.00 0.00 H new ATOM 1933 N ALA A 127 5.271 -3.420 12.434 1.00 0.00 N ATOM 1934 CA ALA A 127 6.471 -3.785 11.701 1.00 0.00 C ATOM 1935 C ALA A 127 7.695 -3.565 12.592 1.00 0.00 C ATOM 1936 O ALA A 127 8.582 -2.783 12.253 1.00 0.00 O ATOM 1937 CB ALA A 127 6.542 -2.977 10.404 1.00 0.00 C ATOM 0 H ALA A 127 4.444 -3.969 12.200 1.00 0.00 H new ATOM 0 HA ALA A 127 6.448 -4.840 11.428 1.00 0.00 H new ATOM 0 HB1 ALA A 127 7.442 -3.251 9.854 1.00 0.00 H new ATOM 0 HB2 ALA A 127 5.665 -3.191 9.794 1.00 0.00 H new ATOM 0 HB3 ALA A 127 6.570 -1.913 10.639 1.00 0.00 H new ATOM 1943 N LEU A 128 7.705 -4.270 13.714 1.00 0.00 N ATOM 1944 CA LEU A 128 8.805 -4.161 14.656 1.00 0.00 C ATOM 1945 C LEU A 128 9.828 -5.263 14.368 1.00 0.00 C ATOM 1946 O LEU A 128 9.476 -6.439 14.300 1.00 0.00 O ATOM 1947 CB LEU A 128 8.283 -4.169 16.093 1.00 0.00 C ATOM 1948 CG LEU A 128 9.051 -3.301 17.092 1.00 0.00 C ATOM 1949 CD1 LEU A 128 10.447 -3.869 17.352 1.00 0.00 C ATOM 1950 CD2 LEU A 128 9.104 -1.844 16.624 1.00 0.00 C ATOM 0 H LEU A 128 6.969 -4.919 13.991 1.00 0.00 H new ATOM 0 HA LEU A 128 9.318 -3.207 14.533 1.00 0.00 H new ATOM 0 HB2 LEU A 128 7.243 -3.842 16.082 1.00 0.00 H new ATOM 0 HB3 LEU A 128 8.290 -5.197 16.455 1.00 0.00 H new ATOM 0 HG LEU A 128 8.515 -3.316 18.041 1.00 0.00 H new ATOM 0 HD11 LEU A 128 10.971 -3.233 18.065 1.00 0.00 H new ATOM 0 HD12 LEU A 128 10.360 -4.876 17.759 1.00 0.00 H new ATOM 0 HD13 LEU A 128 11.006 -3.903 16.417 1.00 0.00 H new ATOM 0 HD21 LEU A 128 9.655 -1.248 17.351 1.00 0.00 H new ATOM 0 HD22 LEU A 128 9.604 -1.790 15.657 1.00 0.00 H new ATOM 0 HD23 LEU A 128 8.090 -1.455 16.530 1.00 0.00 H new ATOM 1962 N LYS A 129 11.074 -4.841 14.207 1.00 0.00 N ATOM 1963 CA LYS A 129 12.149 -5.777 13.927 1.00 0.00 C ATOM 1964 C LYS A 129 11.638 -6.870 12.986 1.00 0.00 C ATOM 1965 O LYS A 129 12.374 -7.344 12.122 1.00 0.00 O ATOM 1966 CB LYS A 129 12.743 -6.316 15.231 1.00 0.00 C ATOM 1967 CG LYS A 129 14.221 -5.942 15.357 1.00 0.00 C ATOM 1968 CD LYS A 129 15.007 -7.044 16.072 1.00 0.00 C ATOM 1969 CE LYS A 129 15.181 -6.717 17.556 1.00 0.00 C ATOM 1970 NZ LYS A 129 14.979 -7.928 18.381 1.00 0.00 N ATOM 0 H LYS A 129 11.362 -3.864 14.265 1.00 0.00 H new ATOM 0 HA LYS A 129 12.968 -5.273 13.414 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.189 -5.915 16.080 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.635 -7.400 15.263 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.643 -5.774 14.366 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.317 -5.006 15.907 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.487 -7.996 15.964 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.985 -7.161 15.604 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.178 -6.313 17.731 1.00 0.00 H new ATOM 0 HE3 LYS A 129 14.469 -5.946 17.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 15.101 -7.688 19.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 14.019 -8.297 18.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.675 -8.652 18.111 1.00 0.00 H new TER 1984 LYS A 129