USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 834 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 57 ASN : amide:sc= -1.72 X(o=-1.5,f=-1.4) USER MOD Set 1.2: A 59 ASN : amide:sc= 0.236 X(o=-1.5,f=-1.4) USER MOD Set 2.1: A 32 GLN : amide:sc= -0.715 K(o=-2.1,f=-5.1!) USER MOD Set 2.2: A 37 TYR OH : rot 120:sc= -1.39 USER MOD Set 3.1: A 5 SER OG : rot 28:sc= 0.523 USER MOD Set 3.2: A 11 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ 177:sc= 0 (180deg=-0.0152) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 7:sc= 0.412! USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot -80:sc= 1.31 USER MOD Single : A 19 THR OG1 : rot 79:sc= 1.17 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -150:sc= -0.444 (180deg=-2.03!) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= -0.0347 (180deg=-0.27) USER MOD Single : A 30 HIS : no HE2:sc= -1.54 K(o=-1.5,f=-3.4!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0394 X(o=-0.039,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0748) USER MOD Single : A 39 ASN : amide:sc= -3.35! C(o=-3.4!,f=-5.1!) USER MOD Single : A 40 CYS SG : rot -73:sc= -5.3! USER MOD Single : A 42 THR OG1 : rot -149:sc= 0.371 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN :FLIP amide:sc= -0.428 F(o=-1.8!,f=-0.43) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 68 GLN : amide:sc= -0.01 K(o=-0.01,f=-1.4) USER MOD Single : A 69 THR OG1 : rot 100:sc= -0.0255 USER MOD Single : A 71 GLN : amide:sc= -0.22 K(o=-0.22,f=-2.4!) USER MOD Single : A 75 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.019) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HE2:sc= -13.8! C(o=-14!,f=-16!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 81:sc= 0.496 USER MOD Single : A 93 ASN : amide:sc= -0.272 K(o=-0.27,f=-1.8) USER MOD Single : A 97 ASN : amide:sc= -0.0947 X(o=-0.095,f=-0.44) USER MOD Single : A 98 ASN :FLIP amide:sc= -1.44! C(o=-2!,f=-1.4!) USER MOD Single : A 99 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.626 -12.118 -8.116 1.00 0.00 N ATOM 2 CA GLY A 1 24.670 -11.120 -8.559 1.00 0.00 C ATOM 3 C GLY A 1 24.464 -10.020 -7.537 1.00 0.00 C ATOM 4 O GLY A 1 23.334 -9.605 -7.280 1.00 0.00 O ATOM 0 H1 GLY A 1 25.693 -12.874 -8.827 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.559 -11.675 -7.992 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.312 -12.522 -7.210 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.015 -10.682 -9.495 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.715 -11.603 -8.766 1.00 0.00 H new ATOM 8 N SER A 2 25.559 -9.547 -6.951 1.00 0.00 N ATOM 9 CA SER A 2 25.493 -8.491 -5.946 1.00 0.00 C ATOM 10 C SER A 2 25.378 -7.120 -6.605 1.00 0.00 C ATOM 11 O SER A 2 26.195 -6.756 -7.452 1.00 0.00 O ATOM 12 CB SER A 2 26.731 -8.536 -5.048 1.00 0.00 C ATOM 13 OG SER A 2 26.569 -7.700 -3.915 1.00 0.00 O ATOM 0 H SER A 2 26.502 -9.878 -7.154 1.00 0.00 H new ATOM 0 HA SER A 2 24.604 -8.657 -5.337 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.913 -9.561 -4.725 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.607 -8.220 -5.615 1.00 0.00 H new ATOM 0 HG SER A 2 27.373 -7.747 -3.356 1.00 0.00 H new ATOM 19 N SER A 3 24.359 -6.365 -6.211 1.00 0.00 N ATOM 20 CA SER A 3 24.133 -5.035 -6.765 1.00 0.00 C ATOM 21 C SER A 3 24.700 -3.959 -5.844 1.00 0.00 C ATOM 22 O SER A 3 24.406 -3.931 -4.650 1.00 0.00 O ATOM 23 CB SER A 3 22.638 -4.798 -6.986 1.00 0.00 C ATOM 24 OG SER A 3 21.994 -4.443 -5.774 1.00 0.00 O ATOM 0 H SER A 3 23.676 -6.651 -5.510 1.00 0.00 H new ATOM 0 HA SER A 3 24.648 -4.976 -7.724 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.497 -4.007 -7.722 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.180 -5.699 -7.395 1.00 0.00 H new ATOM 0 HG SER A 3 22.666 -4.311 -5.073 1.00 0.00 H new ATOM 30 N GLY A 4 25.515 -3.074 -6.410 1.00 0.00 N ATOM 31 CA GLY A 4 26.111 -2.008 -5.626 1.00 0.00 C ATOM 32 C GLY A 4 25.433 -0.671 -5.855 1.00 0.00 C ATOM 33 O GLY A 4 25.929 0.163 -6.612 1.00 0.00 O ATOM 0 H GLY A 4 25.773 -3.076 -7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.055 -2.264 -4.568 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.168 -1.924 -5.878 1.00 0.00 H new ATOM 37 N SER A 5 24.294 -0.467 -5.200 1.00 0.00 N ATOM 38 CA SER A 5 23.544 0.775 -5.340 1.00 0.00 C ATOM 39 C SER A 5 24.225 1.910 -4.581 1.00 0.00 C ATOM 40 O SER A 5 24.423 1.830 -3.369 1.00 0.00 O ATOM 41 CB SER A 5 22.113 0.592 -4.830 1.00 0.00 C ATOM 42 OG SER A 5 22.100 0.297 -3.444 1.00 0.00 O ATOM 0 H SER A 5 23.871 -1.146 -4.567 1.00 0.00 H new ATOM 0 HA SER A 5 23.515 1.035 -6.398 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.538 1.499 -5.018 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.627 -0.213 -5.381 1.00 0.00 H new ATOM 0 HG SER A 5 22.889 0.693 -3.018 1.00 0.00 H new ATOM 48 N SER A 6 24.582 2.966 -5.305 1.00 0.00 N ATOM 49 CA SER A 6 25.245 4.117 -4.702 1.00 0.00 C ATOM 50 C SER A 6 24.342 4.786 -3.671 1.00 0.00 C ATOM 51 O SER A 6 24.742 5.007 -2.529 1.00 0.00 O ATOM 52 CB SER A 6 25.642 5.127 -5.781 1.00 0.00 C ATOM 53 OG SER A 6 26.378 6.203 -5.226 1.00 0.00 O ATOM 0 H SER A 6 24.424 3.049 -6.309 1.00 0.00 H new ATOM 0 HA SER A 6 26.144 3.763 -4.197 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.239 4.631 -6.546 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.747 5.509 -6.272 1.00 0.00 H new ATOM 0 HG SER A 6 26.621 6.834 -5.936 1.00 0.00 H new ATOM 59 N GLY A 7 23.119 5.106 -4.083 1.00 0.00 N ATOM 60 CA GLY A 7 22.176 5.746 -3.185 1.00 0.00 C ATOM 61 C GLY A 7 21.611 4.786 -2.157 1.00 0.00 C ATOM 62 O GLY A 7 20.428 4.449 -2.197 1.00 0.00 O ATOM 0 H GLY A 7 22.764 4.933 -5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.670 6.572 -2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.359 6.174 -3.766 1.00 0.00 H new ATOM 66 N TYR A 8 22.458 4.344 -1.234 1.00 0.00 N ATOM 67 CA TYR A 8 22.038 3.414 -0.193 1.00 0.00 C ATOM 68 C TYR A 8 21.036 4.070 0.752 1.00 0.00 C ATOM 69 O TYR A 8 19.912 3.594 0.912 1.00 0.00 O ATOM 70 CB TYR A 8 23.250 2.916 0.595 1.00 0.00 C ATOM 71 CG TYR A 8 23.016 1.597 1.296 1.00 0.00 C ATOM 72 CD1 TYR A 8 22.665 0.459 0.578 1.00 0.00 C ATOM 73 CD2 TYR A 8 23.145 1.487 2.675 1.00 0.00 C ATOM 74 CE1 TYR A 8 22.450 -0.748 1.214 1.00 0.00 C ATOM 75 CE2 TYR A 8 22.934 0.283 3.319 1.00 0.00 C ATOM 76 CZ TYR A 8 22.586 -0.831 2.584 1.00 0.00 C ATOM 77 OH TYR A 8 22.373 -2.032 3.222 1.00 0.00 O ATOM 0 H TYR A 8 23.440 4.615 -1.186 1.00 0.00 H new ATOM 0 HA TYR A 8 21.553 2.565 -0.674 1.00 0.00 H new ATOM 0 HB2 TYR A 8 24.096 2.812 -0.084 1.00 0.00 H new ATOM 0 HB3 TYR A 8 23.525 3.667 1.335 1.00 0.00 H new ATOM 0 HD1 TYR A 8 22.559 0.520 -0.495 1.00 0.00 H new ATOM 0 HD2 TYR A 8 23.415 2.358 3.254 1.00 0.00 H new ATOM 0 HE1 TYR A 8 22.177 -1.622 0.642 1.00 0.00 H new ATOM 0 HE2 TYR A 8 23.041 0.215 4.392 1.00 0.00 H new ATOM 0 HH TYR A 8 22.510 -1.919 4.186 1.00 0.00 H new ATOM 87 N ARG A 9 21.453 5.168 1.376 1.00 0.00 N ATOM 88 CA ARG A 9 20.594 5.891 2.306 1.00 0.00 C ATOM 89 C ARG A 9 19.144 5.871 1.834 1.00 0.00 C ATOM 90 O ARG A 9 18.229 5.612 2.616 1.00 0.00 O ATOM 91 CB ARG A 9 21.073 7.335 2.458 1.00 0.00 C ATOM 92 CG ARG A 9 21.055 8.123 1.158 1.00 0.00 C ATOM 93 CD ARG A 9 22.105 9.223 1.158 1.00 0.00 C ATOM 94 NE ARG A 9 21.654 10.410 1.878 1.00 0.00 N ATOM 95 CZ ARG A 9 22.226 11.603 1.760 1.00 0.00 C ATOM 96 NH1 ARG A 9 23.266 11.766 0.954 1.00 0.00 N ATOM 97 NH2 ARG A 9 21.758 12.636 2.449 1.00 0.00 N ATOM 0 H ARG A 9 22.380 5.576 1.254 1.00 0.00 H new ATOM 0 HA ARG A 9 20.649 5.394 3.274 1.00 0.00 H new ATOM 0 HB2 ARG A 9 20.444 7.842 3.189 1.00 0.00 H new ATOM 0 HB3 ARG A 9 22.087 7.332 2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 9 21.233 7.449 0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 9 20.068 8.561 1.011 1.00 0.00 H new ATOM 0 HD2 ARG A 9 23.022 8.849 1.614 1.00 0.00 H new ATOM 0 HD3 ARG A 9 22.347 9.493 0.130 1.00 0.00 H new ATOM 0 HE ARG A 9 20.856 10.318 2.506 1.00 0.00 H new ATOM 0 HH11 ARG A 9 23.629 10.974 0.423 1.00 0.00 H new ATOM 0 HH12 ARG A 9 23.704 12.683 0.865 1.00 0.00 H new ATOM 0 HH21 ARG A 9 20.958 12.514 3.070 1.00 0.00 H new ATOM 0 HH22 ARG A 9 22.198 13.552 2.357 1.00 0.00 H new ATOM 111 N ALA A 10 18.941 6.148 0.550 1.00 0.00 N ATOM 112 CA ALA A 10 17.602 6.160 -0.027 1.00 0.00 C ATOM 113 C ALA A 10 17.055 4.745 -0.176 1.00 0.00 C ATOM 114 O ALA A 10 15.892 4.481 0.131 1.00 0.00 O ATOM 115 CB ALA A 10 17.614 6.869 -1.373 1.00 0.00 C ATOM 0 H ALA A 10 19.687 6.367 -0.110 1.00 0.00 H new ATOM 0 HA ALA A 10 16.946 6.704 0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.608 6.871 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 10 17.953 7.896 -1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 10 18.289 6.349 -2.052 1.00 0.00 H new ATOM 121 N THR A 11 17.901 3.836 -0.651 1.00 0.00 N ATOM 122 CA THR A 11 17.502 2.447 -0.843 1.00 0.00 C ATOM 123 C THR A 11 16.969 1.844 0.451 1.00 0.00 C ATOM 124 O THR A 11 15.951 1.152 0.453 1.00 0.00 O ATOM 125 CB THR A 11 18.677 1.590 -1.351 1.00 0.00 C ATOM 126 OG1 THR A 11 19.158 2.107 -2.596 1.00 0.00 O ATOM 127 CG2 THR A 11 18.252 0.140 -1.528 1.00 0.00 C ATOM 0 H THR A 11 18.867 4.037 -0.910 1.00 0.00 H new ATOM 0 HA THR A 11 16.711 2.446 -1.593 1.00 0.00 H new ATOM 0 HB THR A 11 19.475 1.630 -0.609 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.811 2.817 -2.425 1.00 0.00 H new ATOM 0 HG21 THR A 11 19.098 -0.446 -1.887 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.914 -0.259 -0.572 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.439 0.085 -2.252 1.00 0.00 H new ATOM 135 N LYS A 12 17.664 2.110 1.552 1.00 0.00 N ATOM 136 CA LYS A 12 17.261 1.595 2.855 1.00 0.00 C ATOM 137 C LYS A 12 15.829 2.007 3.183 1.00 0.00 C ATOM 138 O LYS A 12 14.955 1.158 3.368 1.00 0.00 O ATOM 139 CB LYS A 12 18.210 2.102 3.943 1.00 0.00 C ATOM 140 CG LYS A 12 17.808 1.681 5.346 1.00 0.00 C ATOM 141 CD LYS A 12 18.373 0.317 5.702 1.00 0.00 C ATOM 142 CE LYS A 12 18.119 -0.028 7.162 1.00 0.00 C ATOM 143 NZ LYS A 12 18.984 -1.148 7.626 1.00 0.00 N ATOM 0 H LYS A 12 18.510 2.680 1.568 1.00 0.00 H new ATOM 0 HA LYS A 12 17.309 0.507 2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.215 1.734 3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.253 3.190 3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.161 2.421 6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 12 16.721 1.657 5.422 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.922 -0.443 5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.445 0.303 5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.301 0.851 7.780 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.072 -0.299 7.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.781 -1.353 8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.793 -1.995 7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 19.984 -0.880 7.524 1.00 0.00 H new ATOM 157 N LEU A 13 15.595 3.312 3.252 1.00 0.00 N ATOM 158 CA LEU A 13 14.268 3.837 3.557 1.00 0.00 C ATOM 159 C LEU A 13 13.202 3.142 2.715 1.00 0.00 C ATOM 160 O LEU A 13 12.187 2.681 3.238 1.00 0.00 O ATOM 161 CB LEU A 13 14.225 5.346 3.310 1.00 0.00 C ATOM 162 CG LEU A 13 13.016 6.086 3.884 1.00 0.00 C ATOM 163 CD1 LEU A 13 13.016 6.009 5.403 1.00 0.00 C ATOM 164 CD2 LEU A 13 13.009 7.535 3.421 1.00 0.00 C ATOM 0 H LEU A 13 16.307 4.027 3.101 1.00 0.00 H new ATOM 0 HA LEU A 13 14.060 3.642 4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.129 5.788 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.254 5.519 2.234 1.00 0.00 H new ATOM 0 HG LEU A 13 12.110 5.604 3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.149 6.541 5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.973 4.965 5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.927 6.466 5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.142 8.046 3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.920 8.029 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.960 7.569 2.333 1.00 0.00 H new ATOM 176 N TRP A 14 13.440 3.068 1.411 1.00 0.00 N ATOM 177 CA TRP A 14 12.501 2.427 0.497 1.00 0.00 C ATOM 178 C TRP A 14 12.254 0.977 0.900 1.00 0.00 C ATOM 179 O TRP A 14 11.112 0.522 0.943 1.00 0.00 O ATOM 180 CB TRP A 14 13.030 2.488 -0.936 1.00 0.00 C ATOM 181 CG TRP A 14 12.276 1.608 -1.886 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.569 0.315 -2.215 1.00 0.00 C ATOM 183 CD2 TRP A 14 11.104 1.957 -2.631 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.650 -0.160 -3.119 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.741 0.828 -3.390 1.00 0.00 C ATOM 186 CE3 TRP A 14 10.325 3.113 -2.729 1.00 0.00 C ATOM 187 CZ2 TRP A 14 9.634 0.823 -4.235 1.00 0.00 C ATOM 188 CZ3 TRP A 14 9.227 3.108 -3.568 1.00 0.00 C ATOM 189 CH2 TRP A 14 8.889 1.969 -4.312 1.00 0.00 C ATOM 0 H TRP A 14 14.275 3.444 0.962 1.00 0.00 H new ATOM 0 HA TRP A 14 11.555 2.966 0.550 1.00 0.00 H new ATOM 0 HB2 TRP A 14 12.982 3.518 -1.290 1.00 0.00 H new ATOM 0 HB3 TRP A 14 14.081 2.199 -0.940 1.00 0.00 H new ATOM 0 HD1 TRP A 14 13.401 -0.251 -1.822 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.645 -1.097 -3.523 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.577 3.995 -2.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.373 -0.054 -4.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.619 3.997 -3.652 1.00 0.00 H new ATOM 0 HH2 TRP A 14 8.024 1.996 -4.958 1.00 0.00 H new ATOM 200 N ASN A 15 13.332 0.257 1.194 1.00 0.00 N ATOM 201 CA ASN A 15 13.231 -1.142 1.592 1.00 0.00 C ATOM 202 C ASN A 15 12.372 -1.290 2.844 1.00 0.00 C ATOM 203 O ASN A 15 11.476 -2.132 2.897 1.00 0.00 O ATOM 204 CB ASN A 15 14.624 -1.724 1.845 1.00 0.00 C ATOM 205 CG ASN A 15 14.686 -3.214 1.573 1.00 0.00 C ATOM 206 OD1 ASN A 15 14.260 -4.025 2.396 1.00 0.00 O ATOM 207 ND2 ASN A 15 15.218 -3.582 0.413 1.00 0.00 N ATOM 0 H ASN A 15 14.285 0.619 1.164 1.00 0.00 H new ATOM 0 HA ASN A 15 12.757 -1.692 0.779 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.349 -1.212 1.213 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.912 -1.534 2.879 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.286 -4.571 0.174 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.558 -2.875 -0.239 1.00 0.00 H new ATOM 214 N GLU A 16 12.651 -0.466 3.849 1.00 0.00 N ATOM 215 CA GLU A 16 11.903 -0.506 5.100 1.00 0.00 C ATOM 216 C GLU A 16 10.409 -0.331 4.846 1.00 0.00 C ATOM 217 O GLU A 16 9.589 -1.109 5.335 1.00 0.00 O ATOM 218 CB GLU A 16 12.401 0.583 6.052 1.00 0.00 C ATOM 219 CG GLU A 16 12.150 0.271 7.518 1.00 0.00 C ATOM 220 CD GLU A 16 12.555 1.409 8.435 1.00 0.00 C ATOM 221 OE1 GLU A 16 13.763 1.721 8.495 1.00 0.00 O ATOM 222 OE2 GLU A 16 11.664 1.988 9.091 1.00 0.00 O ATOM 0 H GLU A 16 13.389 0.237 3.821 1.00 0.00 H new ATOM 0 HA GLU A 16 12.064 -1.481 5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.470 0.727 5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.913 1.525 5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.092 0.052 7.663 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.702 -0.627 7.794 1.00 0.00 H new ATOM 229 N VAL A 17 10.061 0.696 4.077 1.00 0.00 N ATOM 230 CA VAL A 17 8.666 0.974 3.757 1.00 0.00 C ATOM 231 C VAL A 17 8.036 -0.185 2.994 1.00 0.00 C ATOM 232 O VAL A 17 7.153 -0.875 3.506 1.00 0.00 O ATOM 233 CB VAL A 17 8.527 2.260 2.922 1.00 0.00 C ATOM 234 CG1 VAL A 17 7.093 2.436 2.446 1.00 0.00 C ATOM 235 CG2 VAL A 17 8.983 3.469 3.725 1.00 0.00 C ATOM 0 H VAL A 17 10.726 1.349 3.664 1.00 0.00 H new ATOM 0 HA VAL A 17 8.145 1.107 4.705 1.00 0.00 H new ATOM 0 HB VAL A 17 9.168 2.173 2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.015 3.350 1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.807 1.583 1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.429 2.501 3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.878 4.369 3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.371 3.562 4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.028 3.344 4.010 1.00 0.00 H new ATOM 245 N THR A 18 8.495 -0.397 1.764 1.00 0.00 N ATOM 246 CA THR A 18 7.977 -1.472 0.929 1.00 0.00 C ATOM 247 C THR A 18 7.693 -2.722 1.755 1.00 0.00 C ATOM 248 O THR A 18 6.640 -3.345 1.615 1.00 0.00 O ATOM 249 CB THR A 18 8.961 -1.830 -0.201 1.00 0.00 C ATOM 250 OG1 THR A 18 10.284 -1.971 0.328 1.00 0.00 O ATOM 251 CG2 THR A 18 8.954 -0.762 -1.284 1.00 0.00 C ATOM 0 H THR A 18 9.225 0.163 1.325 1.00 0.00 H new ATOM 0 HA THR A 18 7.047 -1.111 0.490 1.00 0.00 H new ATOM 0 HB THR A 18 8.644 -2.775 -0.643 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.684 -1.085 0.449 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.656 -1.037 -2.071 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.952 -0.678 -1.705 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.248 0.195 -0.853 1.00 0.00 H new ATOM 259 N THR A 19 8.638 -3.084 2.616 1.00 0.00 N ATOM 260 CA THR A 19 8.490 -4.259 3.465 1.00 0.00 C ATOM 261 C THR A 19 7.283 -4.123 4.387 1.00 0.00 C ATOM 262 O THR A 19 6.416 -4.996 4.423 1.00 0.00 O ATOM 263 CB THR A 19 9.749 -4.499 4.319 1.00 0.00 C ATOM 264 OG1 THR A 19 10.906 -4.568 3.477 1.00 0.00 O ATOM 265 CG2 THR A 19 9.622 -5.785 5.121 1.00 0.00 C ATOM 0 H THR A 19 9.515 -2.580 2.744 1.00 0.00 H new ATOM 0 HA THR A 19 8.343 -5.111 2.801 1.00 0.00 H new ATOM 0 HB THR A 19 9.854 -3.666 5.014 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.185 -3.662 3.230 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.523 -5.933 5.716 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.758 -5.718 5.782 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.494 -6.627 4.441 1.00 0.00 H new ATOM 273 N SER A 20 7.234 -3.023 5.130 1.00 0.00 N ATOM 274 CA SER A 20 6.134 -2.774 6.055 1.00 0.00 C ATOM 275 C SER A 20 4.794 -2.796 5.325 1.00 0.00 C ATOM 276 O SER A 20 3.911 -3.591 5.648 1.00 0.00 O ATOM 277 CB SER A 20 6.323 -1.427 6.756 1.00 0.00 C ATOM 278 OG SER A 20 7.274 -1.526 7.802 1.00 0.00 O ATOM 0 H SER A 20 7.943 -2.290 5.110 1.00 0.00 H new ATOM 0 HA SER A 20 6.134 -3.568 6.802 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.650 -0.680 6.033 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.369 -1.086 7.158 1.00 0.00 H new ATOM 0 HG SER A 20 7.378 -0.652 8.233 1.00 0.00 H new ATOM 284 N PHE A 21 4.651 -1.918 4.338 1.00 0.00 N ATOM 285 CA PHE A 21 3.420 -1.835 3.561 1.00 0.00 C ATOM 286 C PHE A 21 2.955 -3.223 3.129 1.00 0.00 C ATOM 287 O PHE A 21 1.805 -3.602 3.354 1.00 0.00 O ATOM 288 CB PHE A 21 3.626 -0.948 2.332 1.00 0.00 C ATOM 289 CG PHE A 21 2.500 -1.026 1.341 1.00 0.00 C ATOM 290 CD1 PHE A 21 2.397 -2.100 0.473 1.00 0.00 C ATOM 291 CD2 PHE A 21 1.545 -0.024 1.277 1.00 0.00 C ATOM 292 CE1 PHE A 21 1.362 -2.175 -0.440 1.00 0.00 C ATOM 293 CE2 PHE A 21 0.507 -0.094 0.367 1.00 0.00 C ATOM 294 CZ PHE A 21 0.416 -1.170 -0.494 1.00 0.00 C ATOM 0 H PHE A 21 5.372 -1.254 4.057 1.00 0.00 H new ATOM 0 HA PHE A 21 2.650 -1.394 4.193 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.743 0.086 2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.554 -1.235 1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.134 -2.888 0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.613 0.821 1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.293 -3.019 -1.111 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.232 0.692 0.329 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.393 -1.225 -1.208 1.00 0.00 H new ATOM 304 N ARG A 22 3.856 -3.974 2.506 1.00 0.00 N ATOM 305 CA ARG A 22 3.539 -5.319 2.040 1.00 0.00 C ATOM 306 C ARG A 22 2.748 -6.087 3.094 1.00 0.00 C ATOM 307 O ARG A 22 1.593 -6.450 2.875 1.00 0.00 O ATOM 308 CB ARG A 22 4.822 -6.078 1.695 1.00 0.00 C ATOM 309 CG ARG A 22 4.610 -7.570 1.491 1.00 0.00 C ATOM 310 CD ARG A 22 5.593 -8.138 0.479 1.00 0.00 C ATOM 311 NE ARG A 22 5.915 -9.535 0.754 1.00 0.00 N ATOM 312 CZ ARG A 22 6.855 -9.918 1.612 1.00 0.00 C ATOM 313 NH1 ARG A 22 7.560 -9.012 2.275 1.00 0.00 N ATOM 314 NH2 ARG A 22 7.089 -11.209 1.808 1.00 0.00 N ATOM 0 H ARG A 22 4.812 -3.675 2.312 1.00 0.00 H new ATOM 0 HA ARG A 22 2.925 -5.231 1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.253 -5.653 0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.549 -5.928 2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.725 -8.089 2.443 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.590 -7.751 1.151 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.171 -8.054 -0.523 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.508 -7.546 0.491 1.00 0.00 H new ATOM 0 HE ARG A 22 5.390 -10.257 0.261 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.382 -8.019 2.127 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.281 -9.308 2.933 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.547 -11.908 1.300 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.811 -11.502 2.467 1.00 0.00 H new ATOM 328 N ALA A 23 3.379 -6.332 4.238 1.00 0.00 N ATOM 329 CA ALA A 23 2.733 -7.056 5.327 1.00 0.00 C ATOM 330 C ALA A 23 1.665 -6.199 5.998 1.00 0.00 C ATOM 331 O ALA A 23 0.480 -6.529 5.963 1.00 0.00 O ATOM 332 CB ALA A 23 3.768 -7.507 6.347 1.00 0.00 C ATOM 0 H ALA A 23 4.336 -6.040 4.435 1.00 0.00 H new ATOM 0 HA ALA A 23 2.245 -7.936 4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.272 -8.046 7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.493 -8.163 5.864 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.281 -6.636 6.754 1.00 0.00 H new ATOM 338 N GLY A 24 2.092 -5.099 6.609 1.00 0.00 N ATOM 339 CA GLY A 24 1.159 -4.213 7.280 1.00 0.00 C ATOM 340 C GLY A 24 0.004 -4.961 7.915 1.00 0.00 C ATOM 341 O GLY A 24 0.163 -6.095 8.365 1.00 0.00 O ATOM 0 H GLY A 24 3.068 -4.805 6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.688 -3.648 8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.769 -3.490 6.563 1.00 0.00 H new ATOM 345 N MET A 25 -1.163 -4.325 7.952 1.00 0.00 N ATOM 346 CA MET A 25 -2.349 -4.938 8.537 1.00 0.00 C ATOM 347 C MET A 25 -2.656 -6.275 7.868 1.00 0.00 C ATOM 348 O MET A 25 -2.335 -6.500 6.701 1.00 0.00 O ATOM 349 CB MET A 25 -3.551 -4.001 8.406 1.00 0.00 C ATOM 350 CG MET A 25 -3.914 -3.676 6.966 1.00 0.00 C ATOM 351 SD MET A 25 -5.325 -2.560 6.840 1.00 0.00 S ATOM 352 CE MET A 25 -5.288 -2.163 5.094 1.00 0.00 C ATOM 0 H MET A 25 -1.312 -3.386 7.584 1.00 0.00 H new ATOM 0 HA MET A 25 -2.151 -5.117 9.594 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.412 -4.457 8.895 1.00 0.00 H new ATOM 0 HB3 MET A 25 -3.338 -3.073 8.937 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.054 -3.225 6.472 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.139 -4.601 6.434 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.685 -1.160 4.940 1.00 0.00 H new ATOM 0 HE2 MET A 25 -4.260 -2.205 4.733 1.00 0.00 H new ATOM 0 HE3 MET A 25 -5.896 -2.882 4.544 1.00 0.00 H new ATOM 362 N PRO A 26 -3.292 -7.183 8.623 1.00 0.00 N ATOM 363 CA PRO A 26 -3.656 -8.512 8.124 1.00 0.00 C ATOM 364 C PRO A 26 -4.768 -8.455 7.082 1.00 0.00 C ATOM 365 O PRO A 26 -5.466 -7.448 6.958 1.00 0.00 O ATOM 366 CB PRO A 26 -4.138 -9.243 9.380 1.00 0.00 C ATOM 367 CG PRO A 26 -4.597 -8.161 10.295 1.00 0.00 C ATOM 368 CD PRO A 26 -3.706 -6.981 10.022 1.00 0.00 C ATOM 0 HA PRO A 26 -2.821 -9.002 7.623 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.947 -9.936 9.149 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.336 -9.828 9.830 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.642 -7.912 10.111 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -4.523 -8.473 11.337 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.237 -6.038 10.152 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.849 -6.960 10.696 1.00 0.00 H new ATOM 376 N LEU A 27 -4.929 -9.542 6.335 1.00 0.00 N ATOM 377 CA LEU A 27 -5.957 -9.616 5.303 1.00 0.00 C ATOM 378 C LEU A 27 -7.331 -9.855 5.919 1.00 0.00 C ATOM 379 O LEU A 27 -7.453 -10.515 6.952 1.00 0.00 O ATOM 380 CB LEU A 27 -5.630 -10.732 4.309 1.00 0.00 C ATOM 381 CG LEU A 27 -4.613 -10.385 3.221 1.00 0.00 C ATOM 382 CD1 LEU A 27 -4.244 -11.624 2.420 1.00 0.00 C ATOM 383 CD2 LEU A 27 -5.160 -9.299 2.306 1.00 0.00 C ATOM 0 H LEU A 27 -4.361 -10.384 6.425 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.977 -8.662 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.256 -11.590 4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.556 -11.044 3.826 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.711 -10.007 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.519 -11.357 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.809 -12.371 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.138 -12.033 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.423 -9.065 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.078 -9.649 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.372 -8.404 2.890 1.00 0.00 H new ATOM 395 N ARG A 28 -8.364 -9.317 5.279 1.00 0.00 N ATOM 396 CA ARG A 28 -9.730 -9.474 5.764 1.00 0.00 C ATOM 397 C ARG A 28 -10.615 -10.115 4.699 1.00 0.00 C ATOM 398 O ARG A 28 -10.287 -10.101 3.512 1.00 0.00 O ATOM 399 CB ARG A 28 -10.307 -8.117 6.172 1.00 0.00 C ATOM 400 CG ARG A 28 -11.528 -8.220 7.071 1.00 0.00 C ATOM 401 CD ARG A 28 -12.109 -6.849 7.380 1.00 0.00 C ATOM 402 NE ARG A 28 -12.776 -6.262 6.221 1.00 0.00 N ATOM 403 CZ ARG A 28 -13.704 -5.317 6.307 1.00 0.00 C ATOM 404 NH1 ARG A 28 -14.074 -4.853 7.493 1.00 0.00 N ATOM 405 NH2 ARG A 28 -14.265 -4.832 5.206 1.00 0.00 N ATOM 0 H ARG A 28 -8.281 -8.768 4.423 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.707 -10.129 6.635 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.536 -7.543 6.686 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.574 -7.560 5.274 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.286 -8.837 6.588 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.256 -8.719 8.001 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.819 -6.934 8.202 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.312 -6.185 7.714 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.514 -6.597 5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.645 -5.222 8.342 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.787 -4.127 7.557 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.983 -5.186 4.292 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.978 -4.106 5.274 1.00 0.00 H new ATOM 419 N LYS A 29 -11.738 -10.679 5.132 1.00 0.00 N ATOM 420 CA LYS A 29 -12.671 -11.325 4.217 1.00 0.00 C ATOM 421 C LYS A 29 -13.654 -10.313 3.637 1.00 0.00 C ATOM 422 O LYS A 29 -14.449 -9.717 4.364 1.00 0.00 O ATOM 423 CB LYS A 29 -13.435 -12.438 4.939 1.00 0.00 C ATOM 424 CG LYS A 29 -14.258 -11.946 6.117 1.00 0.00 C ATOM 425 CD LYS A 29 -14.644 -13.087 7.043 1.00 0.00 C ATOM 426 CE LYS A 29 -13.459 -13.555 7.874 1.00 0.00 C ATOM 427 NZ LYS A 29 -13.039 -12.528 8.868 1.00 0.00 N ATOM 0 H LYS A 29 -12.024 -10.702 6.111 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.097 -11.758 3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.095 -12.935 4.228 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.724 -13.186 5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.689 -11.201 6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.158 -11.452 5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.449 -12.764 7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.029 -13.920 6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.721 -14.477 8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.622 -13.787 7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.440 -12.971 9.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.502 -11.778 8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.881 -12.116 9.319 1.00 0.00 H new ATOM 441 N HIS A 30 -13.595 -10.124 2.323 1.00 0.00 N ATOM 442 CA HIS A 30 -14.481 -9.185 1.644 1.00 0.00 C ATOM 443 C HIS A 30 -15.875 -9.782 1.472 1.00 0.00 C ATOM 444 O HIS A 30 -16.077 -10.980 1.671 1.00 0.00 O ATOM 445 CB HIS A 30 -13.906 -8.802 0.281 1.00 0.00 C ATOM 446 CG HIS A 30 -12.822 -7.771 0.356 1.00 0.00 C ATOM 447 ND1 HIS A 30 -11.816 -7.804 1.298 1.00 0.00 N ATOM 448 CD2 HIS A 30 -12.590 -6.674 -0.402 1.00 0.00 C ATOM 449 CE1 HIS A 30 -11.013 -6.771 1.117 1.00 0.00 C ATOM 450 NE2 HIS A 30 -11.460 -6.069 0.091 1.00 0.00 N ATOM 0 H HIS A 30 -12.943 -10.609 1.707 1.00 0.00 H new ATOM 0 HA HIS A 30 -14.561 -8.289 2.260 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -13.513 -9.696 -0.202 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -14.711 -8.426 -0.351 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -11.709 -8.515 2.022 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -13.183 -6.337 -1.239 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.139 -6.539 1.708 1.00 0.00 H new ATOM 458 N ARG A 31 -16.833 -8.938 1.103 1.00 0.00 N ATOM 459 CA ARG A 31 -18.208 -9.381 0.906 1.00 0.00 C ATOM 460 C ARG A 31 -18.283 -10.457 -0.173 1.00 0.00 C ATOM 461 O ARG A 31 -18.836 -11.534 0.048 1.00 0.00 O ATOM 462 CB ARG A 31 -19.098 -8.198 0.524 1.00 0.00 C ATOM 463 CG ARG A 31 -20.568 -8.412 0.847 1.00 0.00 C ATOM 464 CD ARG A 31 -20.817 -8.396 2.347 1.00 0.00 C ATOM 465 NE ARG A 31 -22.239 -8.283 2.664 1.00 0.00 N ATOM 466 CZ ARG A 31 -22.705 -8.113 3.896 1.00 0.00 C ATOM 467 NH1 ARG A 31 -21.867 -8.036 4.921 1.00 0.00 N ATOM 468 NH2 ARG A 31 -24.012 -8.020 4.105 1.00 0.00 N ATOM 0 H ARG A 31 -16.682 -7.943 0.934 1.00 0.00 H new ATOM 0 HA ARG A 31 -18.564 -9.806 1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -18.746 -7.307 1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -18.994 -8.006 -0.544 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -21.163 -7.634 0.370 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -20.898 -9.365 0.432 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -20.418 -9.308 2.791 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.278 -7.561 2.795 1.00 0.00 H new ATOM 0 HE ARG A 31 -22.910 -8.338 1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -20.862 -8.107 4.764 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -22.228 -7.905 5.866 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -24.660 -8.079 3.319 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -24.369 -7.889 5.051 1.00 0.00 H new ATOM 482 N GLN A 32 -17.724 -10.157 -1.341 1.00 0.00 N ATOM 483 CA GLN A 32 -17.729 -11.098 -2.455 1.00 0.00 C ATOM 484 C GLN A 32 -17.139 -12.440 -2.036 1.00 0.00 C ATOM 485 O GLN A 32 -15.934 -12.559 -1.813 1.00 0.00 O ATOM 486 CB GLN A 32 -16.941 -10.528 -3.635 1.00 0.00 C ATOM 487 CG GLN A 32 -17.781 -9.674 -4.572 1.00 0.00 C ATOM 488 CD GLN A 32 -18.592 -8.625 -3.836 1.00 0.00 C ATOM 489 OE1 GLN A 32 -19.523 -8.949 -3.098 1.00 0.00 O ATOM 490 NE2 GLN A 32 -18.242 -7.360 -4.034 1.00 0.00 N ATOM 0 H GLN A 32 -17.262 -9.270 -1.540 1.00 0.00 H new ATOM 0 HA GLN A 32 -18.764 -11.255 -2.760 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -16.114 -9.929 -3.254 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -16.504 -11.351 -4.201 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -17.128 -9.183 -5.293 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -18.455 -10.317 -5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -17.464 -7.137 -4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -18.751 -6.611 -3.566 1.00 0.00 H new ATOM 499 N HIS A 33 -17.997 -13.451 -1.930 1.00 0.00 N ATOM 500 CA HIS A 33 -17.561 -14.786 -1.537 1.00 0.00 C ATOM 501 C HIS A 33 -17.402 -15.686 -2.759 1.00 0.00 C ATOM 502 O HIS A 33 -16.569 -16.593 -2.770 1.00 0.00 O ATOM 503 CB HIS A 33 -18.560 -15.405 -0.559 1.00 0.00 C ATOM 504 CG HIS A 33 -18.331 -16.865 -0.313 1.00 0.00 C ATOM 505 ND1 HIS A 33 -17.476 -17.339 0.659 1.00 0.00 N ATOM 506 CD2 HIS A 33 -18.853 -17.957 -0.918 1.00 0.00 C ATOM 507 CE1 HIS A 33 -17.480 -18.660 0.640 1.00 0.00 C ATOM 508 NE2 HIS A 33 -18.308 -19.060 -0.308 1.00 0.00 N ATOM 0 H HIS A 33 -18.998 -13.370 -2.111 1.00 0.00 H new ATOM 0 HA HIS A 33 -16.592 -14.696 -1.045 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -18.505 -14.872 0.390 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -19.569 -15.264 -0.945 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -19.566 -17.960 -1.730 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -16.904 -19.303 1.289 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -18.510 -20.031 -0.548 1.00 0.00 H new ATOM 516 N PHE A 34 -18.206 -15.431 -3.785 1.00 0.00 N ATOM 517 CA PHE A 34 -18.156 -16.219 -5.011 1.00 0.00 C ATOM 518 C PHE A 34 -16.736 -16.269 -5.568 1.00 0.00 C ATOM 519 O PHE A 34 -15.827 -15.630 -5.038 1.00 0.00 O ATOM 520 CB PHE A 34 -19.107 -15.635 -6.058 1.00 0.00 C ATOM 521 CG PHE A 34 -19.432 -16.589 -7.171 1.00 0.00 C ATOM 522 CD1 PHE A 34 -20.151 -17.746 -6.921 1.00 0.00 C ATOM 523 CD2 PHE A 34 -19.019 -16.327 -8.468 1.00 0.00 C ATOM 524 CE1 PHE A 34 -20.451 -18.626 -7.944 1.00 0.00 C ATOM 525 CE2 PHE A 34 -19.316 -17.203 -9.495 1.00 0.00 C ATOM 526 CZ PHE A 34 -20.034 -18.354 -9.233 1.00 0.00 C ATOM 0 H PHE A 34 -18.901 -14.684 -3.792 1.00 0.00 H new ATOM 0 HA PHE A 34 -18.470 -17.235 -4.773 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -20.032 -15.332 -5.568 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -18.661 -14.735 -6.481 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -20.481 -17.963 -5.916 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -18.459 -15.428 -8.678 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -21.011 -19.526 -7.736 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -18.987 -16.988 -10.501 1.00 0.00 H new ATOM 0 HZ PHE A 34 -20.269 -19.040 -10.034 1.00 0.00 H new ATOM 536 N LYS A 35 -16.554 -17.033 -6.639 1.00 0.00 N ATOM 537 CA LYS A 35 -15.247 -17.168 -7.270 1.00 0.00 C ATOM 538 C LYS A 35 -14.859 -15.884 -7.997 1.00 0.00 C ATOM 539 O LYS A 35 -13.793 -15.802 -8.608 1.00 0.00 O ATOM 540 CB LYS A 35 -15.250 -18.342 -8.252 1.00 0.00 C ATOM 541 CG LYS A 35 -13.859 -18.817 -8.636 1.00 0.00 C ATOM 542 CD LYS A 35 -13.345 -19.874 -7.673 1.00 0.00 C ATOM 543 CE LYS A 35 -12.727 -19.244 -6.434 1.00 0.00 C ATOM 544 NZ LYS A 35 -11.690 -20.123 -5.825 1.00 0.00 N ATOM 0 H LYS A 35 -17.296 -17.569 -7.089 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.512 -17.359 -6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.800 -19.173 -7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -15.787 -18.049 -9.154 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.879 -19.224 -9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.174 -17.969 -8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.165 -20.530 -7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.604 -20.496 -8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.281 -18.285 -6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.508 -19.042 -5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.292 -19.659 -4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.121 -21.029 -5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.932 -20.296 -6.516 1.00 0.00 H new ATOM 558 N LYS A 36 -15.729 -14.883 -7.926 1.00 0.00 N ATOM 559 CA LYS A 36 -15.477 -13.602 -8.574 1.00 0.00 C ATOM 560 C LYS A 36 -13.992 -13.257 -8.539 1.00 0.00 C ATOM 561 O LYS A 36 -13.343 -13.158 -9.580 1.00 0.00 O ATOM 562 CB LYS A 36 -16.285 -12.494 -7.893 1.00 0.00 C ATOM 563 CG LYS A 36 -16.682 -11.367 -8.830 1.00 0.00 C ATOM 564 CD LYS A 36 -17.340 -10.222 -8.078 1.00 0.00 C ATOM 565 CE LYS A 36 -18.809 -10.505 -7.804 1.00 0.00 C ATOM 566 NZ LYS A 36 -19.640 -10.361 -9.032 1.00 0.00 N ATOM 0 H LYS A 36 -16.616 -14.934 -7.425 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.789 -13.683 -9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.185 -12.928 -7.458 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -15.700 -12.082 -7.071 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -15.799 -11.000 -9.354 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -17.367 -11.747 -9.588 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.818 -10.057 -7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -17.247 -9.304 -8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.917 -11.515 -7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -19.173 -9.822 -7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -20.647 -10.360 -8.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -19.404 -9.467 -9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -19.450 -11.156 -9.675 1.00 0.00 H new ATOM 580 N TYR A 37 -13.460 -13.076 -7.335 1.00 0.00 N ATOM 581 CA TYR A 37 -12.051 -12.741 -7.164 1.00 0.00 C ATOM 582 C TYR A 37 -11.552 -13.168 -5.788 1.00 0.00 C ATOM 583 O TYR A 37 -12.343 -13.443 -4.886 1.00 0.00 O ATOM 584 CB TYR A 37 -11.836 -11.238 -7.353 1.00 0.00 C ATOM 585 CG TYR A 37 -12.782 -10.384 -6.540 1.00 0.00 C ATOM 586 CD1 TYR A 37 -12.579 -10.189 -5.179 1.00 0.00 C ATOM 587 CD2 TYR A 37 -13.880 -9.772 -7.132 1.00 0.00 C ATOM 588 CE1 TYR A 37 -13.441 -9.410 -4.433 1.00 0.00 C ATOM 589 CE2 TYR A 37 -14.747 -8.990 -6.394 1.00 0.00 C ATOM 590 CZ TYR A 37 -14.523 -8.812 -5.044 1.00 0.00 C ATOM 591 OH TYR A 37 -15.384 -8.035 -4.304 1.00 0.00 O ATOM 0 H TYR A 37 -13.983 -13.156 -6.463 1.00 0.00 H new ATOM 0 HA TYR A 37 -11.481 -13.281 -7.920 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -10.810 -10.989 -7.081 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -11.954 -10.992 -8.408 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -11.732 -10.655 -4.697 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -14.059 -9.910 -8.188 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -13.269 -9.270 -3.376 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -15.595 -8.521 -6.871 1.00 0.00 H new ATOM 0 HH TYR A 37 -15.394 -7.124 -4.664 1.00 0.00 H new ATOM 601 N GLY A 38 -10.233 -13.222 -5.633 1.00 0.00 N ATOM 602 CA GLY A 38 -9.649 -13.616 -4.364 1.00 0.00 C ATOM 603 C GLY A 38 -9.451 -12.441 -3.428 1.00 0.00 C ATOM 604 O GLY A 38 -9.850 -11.319 -3.736 1.00 0.00 O ATOM 0 H GLY A 38 -9.558 -13.000 -6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.292 -14.354 -3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.689 -14.099 -4.544 1.00 0.00 H new ATOM 608 N ASN A 39 -8.834 -12.699 -2.279 1.00 0.00 N ATOM 609 CA ASN A 39 -8.586 -11.654 -1.293 1.00 0.00 C ATOM 610 C ASN A 39 -7.885 -10.459 -1.931 1.00 0.00 C ATOM 611 O ASN A 39 -6.685 -10.504 -2.205 1.00 0.00 O ATOM 612 CB ASN A 39 -7.740 -12.201 -0.141 1.00 0.00 C ATOM 613 CG ASN A 39 -7.929 -11.412 1.140 1.00 0.00 C ATOM 614 OD1 ASN A 39 -7.913 -10.181 1.133 1.00 0.00 O ATOM 615 ND2 ASN A 39 -8.109 -12.120 2.249 1.00 0.00 N ATOM 0 H ASN A 39 -8.497 -13.623 -2.008 1.00 0.00 H new ATOM 0 HA ASN A 39 -9.548 -11.322 -0.903 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.003 -13.244 0.036 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.688 -12.181 -0.425 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.241 -11.645 3.142 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.115 -13.139 2.208 1.00 0.00 H new ATOM 622 N CYS A 40 -8.641 -9.392 -2.165 1.00 0.00 N ATOM 623 CA CYS A 40 -8.092 -8.184 -2.772 1.00 0.00 C ATOM 624 C CYS A 40 -8.616 -6.936 -2.068 1.00 0.00 C ATOM 625 O CYS A 40 -9.776 -6.882 -1.659 1.00 0.00 O ATOM 626 CB CYS A 40 -8.443 -8.131 -4.259 1.00 0.00 C ATOM 627 SG CYS A 40 -10.187 -8.446 -4.618 1.00 0.00 S ATOM 0 H CYS A 40 -9.635 -9.338 -1.944 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.008 -8.212 -2.663 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -8.174 -7.150 -4.650 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.836 -8.863 -4.791 1.00 0.00 H new ATOM 0 HG CYS A 40 -10.444 -9.709 -4.449 1.00 0.00 H new ATOM 633 N PHE A 41 -7.753 -5.936 -1.929 1.00 0.00 N ATOM 634 CA PHE A 41 -8.127 -4.689 -1.273 1.00 0.00 C ATOM 635 C PHE A 41 -8.239 -3.553 -2.285 1.00 0.00 C ATOM 636 O PHE A 41 -7.623 -3.592 -3.351 1.00 0.00 O ATOM 637 CB PHE A 41 -7.102 -4.327 -0.195 1.00 0.00 C ATOM 638 CG PHE A 41 -5.681 -4.384 -0.677 1.00 0.00 C ATOM 639 CD1 PHE A 41 -5.190 -3.419 -1.541 1.00 0.00 C ATOM 640 CD2 PHE A 41 -4.836 -5.402 -0.265 1.00 0.00 C ATOM 641 CE1 PHE A 41 -3.882 -3.467 -1.986 1.00 0.00 C ATOM 642 CE2 PHE A 41 -3.527 -5.456 -0.707 1.00 0.00 C ATOM 643 CZ PHE A 41 -3.050 -4.488 -1.569 1.00 0.00 C ATOM 0 H PHE A 41 -6.789 -5.965 -2.262 1.00 0.00 H new ATOM 0 HA PHE A 41 -9.101 -4.833 -0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.313 -3.323 0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.219 -5.007 0.649 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.837 -2.620 -1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.204 -6.162 0.409 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.511 -2.708 -2.658 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.878 -6.254 -0.378 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.028 -4.529 -1.916 1.00 0.00 H new ATOM 653 N THR A 42 -9.030 -2.540 -1.945 1.00 0.00 N ATOM 654 CA THR A 42 -9.225 -1.394 -2.824 1.00 0.00 C ATOM 655 C THR A 42 -8.129 -0.354 -2.622 1.00 0.00 C ATOM 656 O THR A 42 -7.373 -0.414 -1.653 1.00 0.00 O ATOM 657 CB THR A 42 -10.595 -0.731 -2.587 1.00 0.00 C ATOM 658 OG1 THR A 42 -10.697 -0.288 -1.229 1.00 0.00 O ATOM 659 CG2 THR A 42 -11.726 -1.701 -2.895 1.00 0.00 C ATOM 0 H THR A 42 -9.546 -2.490 -1.067 1.00 0.00 H new ATOM 0 HA THR A 42 -9.183 -1.769 -3.847 1.00 0.00 H new ATOM 0 HB THR A 42 -10.680 0.126 -3.256 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.633 -0.329 -0.941 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.684 -1.211 -2.720 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.663 -2.014 -3.937 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.642 -2.574 -2.248 1.00 0.00 H new ATOM 667 N ALA A 43 -8.048 0.600 -3.544 1.00 0.00 N ATOM 668 CA ALA A 43 -7.045 1.655 -3.465 1.00 0.00 C ATOM 669 C ALA A 43 -7.284 2.550 -2.254 1.00 0.00 C ATOM 670 O ALA A 43 -6.424 2.676 -1.384 1.00 0.00 O ATOM 671 CB ALA A 43 -7.047 2.481 -4.743 1.00 0.00 C ATOM 0 H ALA A 43 -8.665 0.664 -4.354 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.068 1.186 -3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.293 3.265 -4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.820 1.837 -5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.029 2.933 -4.882 1.00 0.00 H new ATOM 677 N GLY A 44 -8.458 3.172 -2.206 1.00 0.00 N ATOM 678 CA GLY A 44 -8.788 4.049 -1.097 1.00 0.00 C ATOM 679 C GLY A 44 -8.279 3.522 0.230 1.00 0.00 C ATOM 680 O GLY A 44 -7.505 4.191 0.914 1.00 0.00 O ATOM 0 H GLY A 44 -9.186 3.085 -2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.363 5.036 -1.279 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.870 4.172 -1.045 1.00 0.00 H new ATOM 684 N GLU A 45 -8.715 2.321 0.595 1.00 0.00 N ATOM 685 CA GLU A 45 -8.299 1.707 1.850 1.00 0.00 C ATOM 686 C GLU A 45 -6.781 1.745 1.998 1.00 0.00 C ATOM 687 O GLU A 45 -6.256 2.241 2.995 1.00 0.00 O ATOM 688 CB GLU A 45 -8.794 0.261 1.925 1.00 0.00 C ATOM 689 CG GLU A 45 -10.204 0.127 2.474 1.00 0.00 C ATOM 690 CD GLU A 45 -11.232 0.849 1.624 1.00 0.00 C ATOM 691 OE1 GLU A 45 -11.213 2.098 1.602 1.00 0.00 O ATOM 692 OE2 GLU A 45 -12.054 0.165 0.980 1.00 0.00 O ATOM 0 H GLU A 45 -9.356 1.754 0.040 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.740 2.277 2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.758 -0.178 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.113 -0.315 2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.467 -0.929 2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.234 0.524 3.489 1.00 0.00 H new ATOM 699 N ALA A 46 -6.082 1.218 0.999 1.00 0.00 N ATOM 700 CA ALA A 46 -4.624 1.192 1.017 1.00 0.00 C ATOM 701 C ALA A 46 -4.056 2.556 1.394 1.00 0.00 C ATOM 702 O ALA A 46 -3.162 2.657 2.234 1.00 0.00 O ATOM 703 CB ALA A 46 -4.088 0.751 -0.337 1.00 0.00 C ATOM 0 H ALA A 46 -6.501 0.803 0.167 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.307 0.474 1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.998 0.736 -0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.459 -0.248 -0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.422 1.448 -1.105 1.00 0.00 H new ATOM 709 N VAL A 47 -4.581 3.605 0.767 1.00 0.00 N ATOM 710 CA VAL A 47 -4.126 4.963 1.038 1.00 0.00 C ATOM 711 C VAL A 47 -3.987 5.208 2.536 1.00 0.00 C ATOM 712 O VAL A 47 -3.027 5.834 2.987 1.00 0.00 O ATOM 713 CB VAL A 47 -5.091 6.007 0.446 1.00 0.00 C ATOM 714 CG1 VAL A 47 -4.594 7.416 0.730 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.263 5.785 -1.049 1.00 0.00 C ATOM 0 H VAL A 47 -5.321 3.540 0.068 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.151 5.070 0.563 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.064 5.888 0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.289 8.140 0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.527 7.568 1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.609 7.552 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.948 6.531 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.296 5.876 -1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.668 4.789 -1.225 1.00 0.00 H new ATOM 725 N ASP A 48 -4.951 4.711 3.303 1.00 0.00 N ATOM 726 CA ASP A 48 -4.936 4.874 4.752 1.00 0.00 C ATOM 727 C ASP A 48 -3.808 4.061 5.379 1.00 0.00 C ATOM 728 O ASP A 48 -2.916 4.612 6.024 1.00 0.00 O ATOM 729 CB ASP A 48 -6.279 4.450 5.349 1.00 0.00 C ATOM 730 CG ASP A 48 -6.363 4.722 6.838 1.00 0.00 C ATOM 731 OD1 ASP A 48 -5.627 5.608 7.322 1.00 0.00 O ATOM 732 OD2 ASP A 48 -7.164 4.050 7.519 1.00 0.00 O ATOM 0 H ASP A 48 -5.753 4.192 2.945 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.766 5.928 4.972 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.083 4.981 4.840 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.434 3.386 5.168 1.00 0.00 H new ATOM 737 N TRP A 49 -3.854 2.748 5.186 1.00 0.00 N ATOM 738 CA TRP A 49 -2.836 1.858 5.733 1.00 0.00 C ATOM 739 C TRP A 49 -1.446 2.466 5.586 1.00 0.00 C ATOM 740 O TRP A 49 -0.743 2.679 6.575 1.00 0.00 O ATOM 741 CB TRP A 49 -2.889 0.498 5.034 1.00 0.00 C ATOM 742 CG TRP A 49 -1.572 -0.217 5.028 1.00 0.00 C ATOM 743 CD1 TRP A 49 -1.042 -0.949 4.004 1.00 0.00 C ATOM 744 CD2 TRP A 49 -0.620 -0.270 6.096 1.00 0.00 C ATOM 745 NE1 TRP A 49 0.182 -1.454 4.372 1.00 0.00 N ATOM 746 CE2 TRP A 49 0.464 -1.051 5.650 1.00 0.00 C ATOM 747 CE3 TRP A 49 -0.577 0.268 7.385 1.00 0.00 C ATOM 748 CZ2 TRP A 49 1.576 -1.306 6.449 1.00 0.00 C ATOM 749 CZ3 TRP A 49 0.527 0.014 8.177 1.00 0.00 C ATOM 750 CH2 TRP A 49 1.591 -0.767 7.706 1.00 0.00 C ATOM 0 H TRP A 49 -4.585 2.276 4.655 1.00 0.00 H new ATOM 0 HA TRP A 49 -3.041 1.721 6.795 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.632 -0.128 5.528 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.223 0.638 4.006 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.515 -1.108 3.046 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.783 -2.035 3.788 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.392 0.872 7.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.397 -1.908 6.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.570 0.424 9.175 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.440 -0.947 8.349 1.00 0.00 H new ATOM 761 N LEU A 50 -1.054 2.743 4.347 1.00 0.00 N ATOM 762 CA LEU A 50 0.254 3.328 4.071 1.00 0.00 C ATOM 763 C LEU A 50 0.378 4.708 4.707 1.00 0.00 C ATOM 764 O LEU A 50 1.347 4.993 5.412 1.00 0.00 O ATOM 765 CB LEU A 50 0.482 3.426 2.562 1.00 0.00 C ATOM 766 CG LEU A 50 1.800 4.064 2.122 1.00 0.00 C ATOM 767 CD1 LEU A 50 2.978 3.201 2.546 1.00 0.00 C ATOM 768 CD2 LEU A 50 1.811 4.283 0.617 1.00 0.00 C ATOM 0 H LEU A 50 -1.623 2.572 3.518 1.00 0.00 H new ATOM 0 HA LEU A 50 1.014 2.679 4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.429 2.422 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.338 3.998 2.127 1.00 0.00 H new ATOM 0 HG LEU A 50 1.892 5.034 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.908 3.671 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.981 3.097 3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.891 2.216 2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.757 4.738 0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.695 3.326 0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.989 4.943 0.339 1.00 0.00 H new ATOM 780 N TYR A 51 -0.608 5.561 4.455 1.00 0.00 N ATOM 781 CA TYR A 51 -0.609 6.913 5.002 1.00 0.00 C ATOM 782 C TYR A 51 -0.192 6.906 6.470 1.00 0.00 C ATOM 783 O TYR A 51 0.641 7.708 6.894 1.00 0.00 O ATOM 784 CB TYR A 51 -1.995 7.543 4.857 1.00 0.00 C ATOM 785 CG TYR A 51 -2.196 8.769 5.720 1.00 0.00 C ATOM 786 CD1 TYR A 51 -1.660 9.997 5.351 1.00 0.00 C ATOM 787 CD2 TYR A 51 -2.921 8.700 6.903 1.00 0.00 C ATOM 788 CE1 TYR A 51 -1.840 11.120 6.136 1.00 0.00 C ATOM 789 CE2 TYR A 51 -3.107 9.817 7.693 1.00 0.00 C ATOM 790 CZ TYR A 51 -2.564 11.025 7.306 1.00 0.00 C ATOM 791 OH TYR A 51 -2.747 12.140 8.091 1.00 0.00 O ATOM 0 H TYR A 51 -1.418 5.340 3.875 1.00 0.00 H new ATOM 0 HA TYR A 51 0.113 7.506 4.440 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.155 7.814 3.813 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.751 6.801 5.113 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.093 10.075 4.435 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.347 7.756 7.210 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.416 12.067 5.835 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.675 9.746 8.609 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.280 11.902 8.878 1.00 0.00 H new ATOM 801 N ASP A 52 -0.776 5.995 7.240 1.00 0.00 N ATOM 802 CA ASP A 52 -0.465 5.881 8.660 1.00 0.00 C ATOM 803 C ASP A 52 0.995 5.492 8.867 1.00 0.00 C ATOM 804 O ASP A 52 1.696 6.083 9.690 1.00 0.00 O ATOM 805 CB ASP A 52 -1.380 4.850 9.323 1.00 0.00 C ATOM 806 CG ASP A 52 -0.752 4.226 10.554 1.00 0.00 C ATOM 807 OD1 ASP A 52 0.012 4.927 11.251 1.00 0.00 O ATOM 808 OD2 ASP A 52 -1.026 3.038 10.822 1.00 0.00 O ATOM 0 H ASP A 52 -1.468 5.324 6.905 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.632 6.854 9.123 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.320 5.328 9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.621 4.066 8.604 1.00 0.00 H new ATOM 813 N LEU A 53 1.448 4.493 8.117 1.00 0.00 N ATOM 814 CA LEU A 53 2.825 4.024 8.218 1.00 0.00 C ATOM 815 C LEU A 53 3.809 5.166 7.986 1.00 0.00 C ATOM 816 O LEU A 53 4.868 5.224 8.611 1.00 0.00 O ATOM 817 CB LEU A 53 3.078 2.904 7.208 1.00 0.00 C ATOM 818 CG LEU A 53 4.449 2.229 7.283 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.431 1.097 8.298 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.865 1.713 5.913 1.00 0.00 C ATOM 0 H LEU A 53 0.881 3.992 7.432 1.00 0.00 H new ATOM 0 HA LEU A 53 2.978 3.638 9.226 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.312 2.141 7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.950 3.311 6.205 1.00 0.00 H new ATOM 0 HG LEU A 53 5.180 2.969 7.608 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.414 0.628 8.338 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.178 1.494 9.281 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.688 0.356 8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.842 1.236 5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.132 0.987 5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.919 2.546 5.212 1.00 0.00 H new ATOM 832 N LEU A 54 3.450 6.074 7.085 1.00 0.00 N ATOM 833 CA LEU A 54 4.300 7.217 6.771 1.00 0.00 C ATOM 834 C LEU A 54 4.305 8.224 7.917 1.00 0.00 C ATOM 835 O LEU A 54 5.339 8.467 8.538 1.00 0.00 O ATOM 836 CB LEU A 54 3.823 7.895 5.485 1.00 0.00 C ATOM 837 CG LEU A 54 3.844 7.030 4.224 1.00 0.00 C ATOM 838 CD1 LEU A 54 3.022 7.677 3.120 1.00 0.00 C ATOM 839 CD2 LEU A 54 5.275 6.799 3.760 1.00 0.00 C ATOM 0 H LEU A 54 2.577 6.041 6.559 1.00 0.00 H new ATOM 0 HA LEU A 54 5.317 6.852 6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.804 8.250 5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.443 8.774 5.309 1.00 0.00 H new ATOM 0 HG LEU A 54 3.399 6.064 4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.048 7.048 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.991 7.791 3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.437 8.657 2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.271 6.182 2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.745 7.757 3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.835 6.292 4.546 1.00 0.00 H new ATOM 851 N ARG A 55 3.141 8.803 8.194 1.00 0.00 N ATOM 852 CA ARG A 55 3.011 9.782 9.267 1.00 0.00 C ATOM 853 C ARG A 55 3.581 9.236 10.573 1.00 0.00 C ATOM 854 O ARG A 55 4.283 9.941 11.297 1.00 0.00 O ATOM 855 CB ARG A 55 1.543 10.166 9.460 1.00 0.00 C ATOM 856 CG ARG A 55 0.693 9.051 10.048 1.00 0.00 C ATOM 857 CD ARG A 55 -0.786 9.400 10.014 1.00 0.00 C ATOM 858 NE ARG A 55 -1.586 8.472 10.809 1.00 0.00 N ATOM 859 CZ ARG A 55 -1.727 8.567 12.127 1.00 0.00 C ATOM 860 NH1 ARG A 55 -1.126 9.543 12.793 1.00 0.00 N ATOM 861 NH2 ARG A 55 -2.472 7.684 12.780 1.00 0.00 N ATOM 0 H ARG A 55 2.275 8.611 7.691 1.00 0.00 H new ATOM 0 HA ARG A 55 3.578 10.670 8.986 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.487 11.037 10.113 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.124 10.462 8.498 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.863 8.130 9.491 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.000 8.862 11.077 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.928 10.414 10.389 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.137 9.389 8.982 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.062 7.710 10.327 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.553 10.224 12.294 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.236 9.613 13.805 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.936 6.932 12.270 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.580 7.757 13.792 1.00 0.00 H new ATOM 875 N ASN A 56 3.273 7.977 10.866 1.00 0.00 N ATOM 876 CA ASN A 56 3.754 7.337 12.086 1.00 0.00 C ATOM 877 C ASN A 56 5.244 7.599 12.286 1.00 0.00 C ATOM 878 O ASN A 56 5.689 7.894 13.394 1.00 0.00 O ATOM 879 CB ASN A 56 3.492 5.831 12.033 1.00 0.00 C ATOM 880 CG ASN A 56 4.218 5.079 13.132 1.00 0.00 C ATOM 881 OD1 ASN A 56 5.520 4.886 12.956 1.00 0.00 O flip ATOM 882 ND2 ASN A 56 3.615 4.678 14.128 1.00 0.00 N flip ATOM 0 H ASN A 56 2.693 7.380 10.276 1.00 0.00 H new ATOM 0 HA ASN A 56 3.212 7.764 12.930 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.421 5.648 12.118 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.806 5.444 11.063 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.614 4.849 14.221 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.117 4.175 14.860 1.00 0.00 H new ATOM 889 N ASN A 57 6.009 7.488 11.205 1.00 0.00 N ATOM 890 CA ASN A 57 7.449 7.713 11.262 1.00 0.00 C ATOM 891 C ASN A 57 7.762 9.198 11.412 1.00 0.00 C ATOM 892 O ASN A 57 6.871 10.043 11.329 1.00 0.00 O ATOM 893 CB ASN A 57 8.122 7.163 10.002 1.00 0.00 C ATOM 894 CG ASN A 57 9.628 7.066 10.147 1.00 0.00 C ATOM 895 OD1 ASN A 57 10.138 6.672 11.196 1.00 0.00 O ATOM 896 ND2 ASN A 57 10.348 7.426 9.091 1.00 0.00 N ATOM 0 H ASN A 57 5.656 7.244 10.280 1.00 0.00 H new ATOM 0 HA ASN A 57 7.840 7.188 12.134 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.717 6.176 9.778 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.882 7.806 9.155 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.366 7.382 9.129 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.883 7.747 8.242 1.00 0.00 H new ATOM 903 N SER A 58 9.036 9.509 11.634 1.00 0.00 N ATOM 904 CA SER A 58 9.467 10.892 11.799 1.00 0.00 C ATOM 905 C SER A 58 9.765 11.534 10.448 1.00 0.00 C ATOM 906 O SER A 58 9.332 12.651 10.170 1.00 0.00 O ATOM 907 CB SER A 58 10.707 10.958 12.693 1.00 0.00 C ATOM 908 OG SER A 58 10.992 12.294 13.072 1.00 0.00 O ATOM 0 H SER A 58 9.787 8.822 11.704 1.00 0.00 H new ATOM 0 HA SER A 58 8.656 11.445 12.273 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.550 10.350 13.584 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.562 10.536 12.166 1.00 0.00 H new ATOM 0 HG SER A 58 11.788 12.309 13.644 1.00 0.00 H new ATOM 914 N ASN A 59 10.509 10.817 9.611 1.00 0.00 N ATOM 915 CA ASN A 59 10.866 11.316 8.288 1.00 0.00 C ATOM 916 C ASN A 59 9.710 12.096 7.670 1.00 0.00 C ATOM 917 O ASN A 59 9.867 13.250 7.272 1.00 0.00 O ATOM 918 CB ASN A 59 11.261 10.156 7.372 1.00 0.00 C ATOM 919 CG ASN A 59 12.648 9.624 7.678 1.00 0.00 C ATOM 920 OD1 ASN A 59 12.830 8.822 8.595 1.00 0.00 O ATOM 921 ND2 ASN A 59 13.635 10.070 6.909 1.00 0.00 N ATOM 0 H ASN A 59 10.876 9.890 9.826 1.00 0.00 H new ATOM 0 HA ASN A 59 11.716 11.989 8.398 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.534 9.350 7.477 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.223 10.487 6.334 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.590 9.748 7.067 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.438 10.734 6.160 1.00 0.00 H new ATOM 928 N PHE A 60 8.547 11.457 7.592 1.00 0.00 N ATOM 929 CA PHE A 60 7.364 12.090 7.022 1.00 0.00 C ATOM 930 C PHE A 60 6.630 12.918 8.073 1.00 0.00 C ATOM 931 O PHE A 60 6.399 14.112 7.887 1.00 0.00 O ATOM 932 CB PHE A 60 6.423 11.031 6.443 1.00 0.00 C ATOM 933 CG PHE A 60 7.104 10.068 5.513 1.00 0.00 C ATOM 934 CD1 PHE A 60 7.806 8.983 6.013 1.00 0.00 C ATOM 935 CD2 PHE A 60 7.041 10.246 4.141 1.00 0.00 C ATOM 936 CE1 PHE A 60 8.434 8.095 5.160 1.00 0.00 C ATOM 937 CE2 PHE A 60 7.667 9.362 3.283 1.00 0.00 C ATOM 938 CZ PHE A 60 8.364 8.284 3.793 1.00 0.00 C ATOM 0 H PHE A 60 8.399 10.501 7.916 1.00 0.00 H new ATOM 0 HA PHE A 60 7.688 12.756 6.222 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.969 10.473 7.262 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.614 11.529 5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.863 8.830 7.081 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.496 11.086 3.737 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.979 7.254 5.562 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.611 9.514 2.215 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.853 7.591 3.125 1.00 0.00 H new ATOM 948 N GLY A 61 6.267 12.274 9.178 1.00 0.00 N ATOM 949 CA GLY A 61 5.563 12.965 10.242 1.00 0.00 C ATOM 950 C GLY A 61 4.090 13.152 9.937 1.00 0.00 C ATOM 951 O GLY A 61 3.620 12.861 8.837 1.00 0.00 O ATOM 0 H GLY A 61 6.448 11.286 9.355 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.670 12.402 11.169 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.024 13.939 10.405 1.00 0.00 H new ATOM 955 N PRO A 62 3.334 13.647 10.929 1.00 0.00 N ATOM 956 CA PRO A 62 1.894 13.882 10.785 1.00 0.00 C ATOM 957 C PRO A 62 1.587 15.039 9.841 1.00 0.00 C ATOM 958 O PRO A 62 0.428 15.405 9.651 1.00 0.00 O ATOM 959 CB PRO A 62 1.446 14.219 12.209 1.00 0.00 C ATOM 960 CG PRO A 62 2.668 14.755 12.874 1.00 0.00 C ATOM 961 CD PRO A 62 3.828 14.015 12.266 1.00 0.00 C ATOM 0 HA PRO A 62 1.381 13.022 10.355 1.00 0.00 H new ATOM 0 HB2 PRO A 62 0.641 14.954 12.207 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.070 13.336 12.725 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.762 15.829 12.712 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.627 14.598 13.952 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.718 14.641 12.207 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.095 13.136 12.852 1.00 0.00 H new ATOM 969 N GLU A 63 2.633 15.611 9.254 1.00 0.00 N ATOM 970 CA GLU A 63 2.474 16.728 8.330 1.00 0.00 C ATOM 971 C GLU A 63 2.064 16.235 6.945 1.00 0.00 C ATOM 972 O GLU A 63 1.415 16.953 6.184 1.00 0.00 O ATOM 973 CB GLU A 63 3.773 17.530 8.234 1.00 0.00 C ATOM 974 CG GLU A 63 4.993 16.678 7.926 1.00 0.00 C ATOM 975 CD GLU A 63 6.195 17.506 7.517 1.00 0.00 C ATOM 976 OE1 GLU A 63 6.303 17.847 6.320 1.00 0.00 O ATOM 977 OE2 GLU A 63 7.029 17.814 8.395 1.00 0.00 O ATOM 0 H GLU A 63 3.599 15.320 9.402 1.00 0.00 H new ATOM 0 HA GLU A 63 1.685 17.374 8.715 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.665 18.289 7.459 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.936 18.056 9.175 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.248 16.084 8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.750 15.978 7.127 1.00 0.00 H new ATOM 984 N VAL A 64 2.450 15.003 6.624 1.00 0.00 N ATOM 985 CA VAL A 64 2.124 14.413 5.332 1.00 0.00 C ATOM 986 C VAL A 64 0.615 14.298 5.146 1.00 0.00 C ATOM 987 O VAL A 64 -0.109 13.914 6.065 1.00 0.00 O ATOM 988 CB VAL A 64 2.757 13.017 5.177 1.00 0.00 C ATOM 989 CG1 VAL A 64 2.340 12.111 6.326 1.00 0.00 C ATOM 990 CG2 VAL A 64 2.374 12.404 3.838 1.00 0.00 C ATOM 0 H VAL A 64 2.989 14.395 7.241 1.00 0.00 H new ATOM 0 HA VAL A 64 2.532 15.076 4.569 1.00 0.00 H new ATOM 0 HB VAL A 64 3.841 13.124 5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.797 11.129 6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.669 12.545 7.270 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.255 12.008 6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.830 11.418 3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.290 12.310 3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.728 13.045 3.030 1.00 0.00 H new ATOM 1000 N THR A 65 0.145 14.632 3.948 1.00 0.00 N ATOM 1001 CA THR A 65 -1.278 14.568 3.640 1.00 0.00 C ATOM 1002 C THR A 65 -1.575 13.455 2.641 1.00 0.00 C ATOM 1003 O THR A 65 -0.665 12.916 2.010 1.00 0.00 O ATOM 1004 CB THR A 65 -1.791 15.904 3.070 1.00 0.00 C ATOM 1005 OG1 THR A 65 -1.157 16.176 1.815 1.00 0.00 O ATOM 1006 CG2 THR A 65 -1.520 17.045 4.038 1.00 0.00 C ATOM 0 H THR A 65 0.730 14.950 3.175 1.00 0.00 H new ATOM 0 HA THR A 65 -1.794 14.359 4.577 1.00 0.00 H new ATOM 0 HB THR A 65 -2.868 15.822 2.923 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.489 17.026 1.458 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.891 17.978 3.614 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.027 16.849 4.983 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.447 17.127 4.212 1.00 0.00 H new ATOM 1014 N ARG A 66 -2.852 13.116 2.501 1.00 0.00 N ATOM 1015 CA ARG A 66 -3.268 12.067 1.579 1.00 0.00 C ATOM 1016 C ARG A 66 -2.666 12.290 0.194 1.00 0.00 C ATOM 1017 O ARG A 66 -2.111 11.371 -0.407 1.00 0.00 O ATOM 1018 CB ARG A 66 -4.794 12.018 1.482 1.00 0.00 C ATOM 1019 CG ARG A 66 -5.332 10.677 1.012 1.00 0.00 C ATOM 1020 CD ARG A 66 -6.845 10.705 0.861 1.00 0.00 C ATOM 1021 NE ARG A 66 -7.525 10.656 2.152 1.00 0.00 N ATOM 1022 CZ ARG A 66 -8.786 11.030 2.334 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -9.501 11.479 1.311 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -9.335 10.956 3.539 1.00 0.00 N ATOM 0 H ARG A 66 -3.617 13.553 3.015 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.905 11.114 1.965 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.219 12.248 2.459 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.131 12.796 0.796 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.875 10.415 0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.051 9.901 1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.140 11.610 0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.164 9.860 0.251 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.002 10.316 2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.082 11.537 0.383 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.470 11.766 1.453 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.788 10.611 4.328 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.304 11.244 3.677 1.00 0.00 H new ATOM 1038 N GLN A 67 -2.782 13.517 -0.304 1.00 0.00 N ATOM 1039 CA GLN A 67 -2.251 13.860 -1.618 1.00 0.00 C ATOM 1040 C GLN A 67 -0.862 13.262 -1.817 1.00 0.00 C ATOM 1041 O GLN A 67 -0.616 12.555 -2.794 1.00 0.00 O ATOM 1042 CB GLN A 67 -2.193 15.379 -1.788 1.00 0.00 C ATOM 1043 CG GLN A 67 -3.467 15.976 -2.364 1.00 0.00 C ATOM 1044 CD GLN A 67 -3.373 17.476 -2.558 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -2.394 17.983 -3.108 1.00 0.00 O ATOM 1046 NE2 GLN A 67 -4.393 18.197 -2.107 1.00 0.00 N ATOM 0 H GLN A 67 -3.238 14.289 0.182 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.919 13.442 -2.371 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.993 15.837 -0.820 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.356 15.632 -2.439 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.685 15.503 -3.321 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.302 15.751 -1.700 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.184 17.736 -1.658 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.385 19.212 -2.210 1.00 0.00 H new ATOM 1055 N GLN A 68 0.041 13.550 -0.886 1.00 0.00 N ATOM 1056 CA GLN A 68 1.405 13.041 -0.960 1.00 0.00 C ATOM 1057 C GLN A 68 1.418 11.516 -0.938 1.00 0.00 C ATOM 1058 O GLN A 68 2.226 10.881 -1.616 1.00 0.00 O ATOM 1059 CB GLN A 68 2.240 13.587 0.199 1.00 0.00 C ATOM 1060 CG GLN A 68 2.670 15.033 0.010 1.00 0.00 C ATOM 1061 CD GLN A 68 3.590 15.517 1.114 1.00 0.00 C ATOM 1062 OE1 GLN A 68 4.205 14.718 1.820 1.00 0.00 O ATOM 1063 NE2 GLN A 68 3.689 16.832 1.268 1.00 0.00 N ATOM 0 H GLN A 68 -0.147 14.134 -0.071 1.00 0.00 H new ATOM 0 HA GLN A 68 1.841 13.377 -1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.664 13.505 1.121 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.127 12.966 0.321 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.176 15.135 -0.950 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.786 15.669 -0.026 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.161 17.458 0.660 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.293 17.216 1.994 1.00 0.00 H new ATOM 1072 N THR A 69 0.518 10.932 -0.152 1.00 0.00 N ATOM 1073 CA THR A 69 0.427 9.482 -0.040 1.00 0.00 C ATOM 1074 C THR A 69 0.129 8.843 -1.392 1.00 0.00 C ATOM 1075 O THR A 69 0.854 7.955 -1.842 1.00 0.00 O ATOM 1076 CB THR A 69 -0.663 9.064 0.964 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.353 9.575 2.265 1.00 0.00 O ATOM 1078 CG2 THR A 69 -0.789 7.549 1.026 1.00 0.00 C ATOM 0 H THR A 69 -0.158 11.442 0.416 1.00 0.00 H new ATOM 0 HA THR A 69 1.395 9.131 0.319 1.00 0.00 H new ATOM 0 HB THR A 69 -1.613 9.479 0.628 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.879 10.385 2.432 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.565 7.277 1.742 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.054 7.165 0.041 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.161 7.117 1.340 1.00 0.00 H new ATOM 1086 N ILE A 70 -0.939 9.302 -2.034 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.331 8.775 -3.336 1.00 0.00 C ATOM 1088 C ILE A 70 -0.189 8.888 -4.341 1.00 0.00 C ATOM 1089 O ILE A 70 0.014 7.997 -5.165 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.564 9.511 -3.893 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.742 9.383 -2.925 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -2.935 8.962 -5.262 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -4.824 10.417 -3.149 1.00 0.00 C ATOM 0 H ILE A 70 -1.548 10.037 -1.675 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.581 7.724 -3.189 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.320 10.568 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.176 8.388 -3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.373 9.471 -1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.808 9.492 -5.642 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.099 9.100 -5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.164 7.900 -5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.627 10.266 -2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.405 11.415 -3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.220 10.316 -4.159 1.00 0.00 H new ATOM 1105 N GLN A 71 0.553 9.987 -4.264 1.00 0.00 N ATOM 1106 CA GLN A 71 1.675 10.215 -5.166 1.00 0.00 C ATOM 1107 C GLN A 71 2.650 9.043 -5.130 1.00 0.00 C ATOM 1108 O GLN A 71 3.094 8.558 -6.171 1.00 0.00 O ATOM 1109 CB GLN A 71 2.402 11.509 -4.794 1.00 0.00 C ATOM 1110 CG GLN A 71 1.678 12.766 -5.251 1.00 0.00 C ATOM 1111 CD GLN A 71 2.627 13.907 -5.557 1.00 0.00 C ATOM 1112 OE1 GLN A 71 3.843 13.720 -5.617 1.00 0.00 O ATOM 1113 NE2 GLN A 71 2.076 15.099 -5.753 1.00 0.00 N ATOM 0 H GLN A 71 0.398 10.733 -3.586 1.00 0.00 H new ATOM 0 HA GLN A 71 1.281 10.306 -6.178 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.530 11.546 -3.712 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.400 11.495 -5.233 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.090 12.539 -6.140 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.977 13.079 -4.477 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.064 15.209 -5.694 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.665 15.905 -5.963 1.00 0.00 H new ATOM 1122 N LEU A 72 2.979 8.591 -3.924 1.00 0.00 N ATOM 1123 CA LEU A 72 3.902 7.475 -3.752 1.00 0.00 C ATOM 1124 C LEU A 72 3.341 6.202 -4.377 1.00 0.00 C ATOM 1125 O LEU A 72 4.020 5.526 -5.151 1.00 0.00 O ATOM 1126 CB LEU A 72 4.183 7.245 -2.266 1.00 0.00 C ATOM 1127 CG LEU A 72 5.164 6.120 -1.934 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.547 6.439 -2.481 1.00 0.00 C ATOM 1129 CD2 LEU A 72 5.223 5.890 -0.431 1.00 0.00 C ATOM 0 H LEU A 72 2.620 8.980 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 72 4.834 7.726 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.568 8.172 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.237 7.034 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 72 4.811 5.204 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.232 5.627 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.493 6.553 -3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.909 7.366 -2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.926 5.086 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.552 6.804 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.233 5.615 -0.066 1.00 0.00 H new ATOM 1141 N LEU A 73 2.096 5.882 -4.040 1.00 0.00 N ATOM 1142 CA LEU A 73 1.442 4.692 -4.571 1.00 0.00 C ATOM 1143 C LEU A 73 1.759 4.510 -6.052 1.00 0.00 C ATOM 1144 O LEU A 73 2.008 3.395 -6.511 1.00 0.00 O ATOM 1145 CB LEU A 73 -0.072 4.785 -4.370 1.00 0.00 C ATOM 1146 CG LEU A 73 -0.831 3.458 -4.357 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -0.726 2.797 -2.991 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -2.289 3.673 -4.737 1.00 0.00 C ATOM 0 H LEU A 73 1.520 6.430 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 73 1.822 3.827 -4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.262 5.298 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.486 5.409 -5.162 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.378 2.795 -5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.272 1.854 -3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.322 2.607 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.152 3.456 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.813 2.718 -4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.754 4.353 -4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.345 4.102 -5.737 1.00 0.00 H new ATOM 1160 N ARG A 74 1.750 5.613 -6.793 1.00 0.00 N ATOM 1161 CA ARG A 74 2.038 5.575 -8.222 1.00 0.00 C ATOM 1162 C ARG A 74 3.361 4.863 -8.491 1.00 0.00 C ATOM 1163 O ARG A 74 3.446 3.995 -9.360 1.00 0.00 O ATOM 1164 CB ARG A 74 2.085 6.994 -8.792 1.00 0.00 C ATOM 1165 CG ARG A 74 0.733 7.687 -8.811 1.00 0.00 C ATOM 1166 CD ARG A 74 0.878 9.187 -9.017 1.00 0.00 C ATOM 1167 NE ARG A 74 -0.337 9.785 -9.563 1.00 0.00 N ATOM 1168 CZ ARG A 74 -0.653 11.067 -9.422 1.00 0.00 C ATOM 1169 NH1 ARG A 74 0.154 11.882 -8.756 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -1.777 11.537 -9.948 1.00 0.00 N ATOM 0 H ARG A 74 1.547 6.543 -6.428 1.00 0.00 H new ATOM 0 HA ARG A 74 1.240 5.019 -8.714 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.781 7.590 -8.203 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.479 6.956 -9.808 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.119 7.267 -9.608 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.212 7.496 -7.873 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.120 9.662 -8.066 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.712 9.381 -9.691 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.978 9.185 -10.081 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.019 11.524 -8.351 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.091 12.866 -8.649 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.400 10.913 -10.461 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.018 12.522 -9.839 1.00 0.00 H new ATOM 1184 N LYS A 75 4.392 5.237 -7.741 1.00 0.00 N ATOM 1185 CA LYS A 75 5.711 4.636 -7.896 1.00 0.00 C ATOM 1186 C LYS A 75 5.644 3.123 -7.710 1.00 0.00 C ATOM 1187 O LYS A 75 5.967 2.360 -8.621 1.00 0.00 O ATOM 1188 CB LYS A 75 6.692 5.242 -6.891 1.00 0.00 C ATOM 1189 CG LYS A 75 7.401 6.483 -7.405 1.00 0.00 C ATOM 1190 CD LYS A 75 7.752 7.434 -6.273 1.00 0.00 C ATOM 1191 CE LYS A 75 8.613 8.588 -6.762 1.00 0.00 C ATOM 1192 NZ LYS A 75 7.875 9.469 -7.708 1.00 0.00 N ATOM 0 H LYS A 75 4.339 5.955 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 75 6.062 4.845 -8.907 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.154 5.494 -5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.437 4.492 -6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.310 6.192 -7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.764 6.994 -8.127 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.837 7.825 -5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.281 6.890 -5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.952 9.175 -5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.504 8.194 -7.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.473 10.280 -7.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.632 8.932 -8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.003 9.811 -7.255 1.00 0.00 H new ATOM 1206 N PHE A 76 5.222 2.696 -6.524 1.00 0.00 N ATOM 1207 CA PHE A 76 5.112 1.274 -6.219 1.00 0.00 C ATOM 1208 C PHE A 76 4.592 0.497 -7.425 1.00 0.00 C ATOM 1209 O PHE A 76 5.250 -0.421 -7.917 1.00 0.00 O ATOM 1210 CB PHE A 76 4.186 1.058 -5.020 1.00 0.00 C ATOM 1211 CG PHE A 76 4.754 1.562 -3.725 1.00 0.00 C ATOM 1212 CD1 PHE A 76 6.077 1.319 -3.393 1.00 0.00 C ATOM 1213 CD2 PHE A 76 3.966 2.278 -2.839 1.00 0.00 C ATOM 1214 CE1 PHE A 76 6.603 1.780 -2.201 1.00 0.00 C ATOM 1215 CE2 PHE A 76 4.486 2.742 -1.645 1.00 0.00 C ATOM 1216 CZ PHE A 76 5.806 2.494 -1.326 1.00 0.00 C ATOM 0 H PHE A 76 4.951 3.314 -5.759 1.00 0.00 H new ATOM 0 HA PHE A 76 6.107 0.903 -5.972 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.236 1.558 -5.210 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.972 -0.006 -4.924 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.705 0.763 -4.074 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.933 2.476 -3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.636 1.583 -1.953 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.860 3.298 -0.963 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.215 2.857 -0.395 1.00 0.00 H new ATOM 1226 N LEU A 77 3.408 0.871 -7.895 1.00 0.00 N ATOM 1227 CA LEU A 77 2.798 0.209 -9.044 1.00 0.00 C ATOM 1228 C LEU A 77 3.771 0.147 -10.217 1.00 0.00 C ATOM 1229 O LEU A 77 3.799 -0.832 -10.962 1.00 0.00 O ATOM 1230 CB LEU A 77 1.523 0.944 -9.462 1.00 0.00 C ATOM 1231 CG LEU A 77 0.808 0.397 -10.698 1.00 0.00 C ATOM 1232 CD1 LEU A 77 0.317 -1.021 -10.446 1.00 0.00 C ATOM 1233 CD2 LEU A 77 -0.351 1.303 -11.089 1.00 0.00 C ATOM 0 H LEU A 77 2.851 1.628 -7.499 1.00 0.00 H new ATOM 0 HA LEU A 77 2.544 -0.810 -8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.825 0.925 -8.625 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.773 1.989 -9.644 1.00 0.00 H new ATOM 0 HG LEU A 77 1.518 0.373 -11.524 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.189 -1.394 -11.336 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.166 -1.664 -10.215 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.378 -1.022 -9.606 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.848 0.898 -11.971 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.062 1.360 -10.265 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.026 2.301 -11.312 1.00 0.00 H new ATOM 1245 N LYS A 78 4.568 1.198 -10.373 1.00 0.00 N ATOM 1246 CA LYS A 78 5.546 1.263 -11.453 1.00 0.00 C ATOM 1247 C LYS A 78 6.709 0.311 -11.192 1.00 0.00 C ATOM 1248 O LYS A 78 7.229 -0.316 -12.113 1.00 0.00 O ATOM 1249 CB LYS A 78 6.068 2.693 -11.610 1.00 0.00 C ATOM 1250 CG LYS A 78 5.312 3.506 -12.647 1.00 0.00 C ATOM 1251 CD LYS A 78 6.151 4.659 -13.171 1.00 0.00 C ATOM 1252 CE LYS A 78 6.362 5.725 -12.106 1.00 0.00 C ATOM 1253 NZ LYS A 78 6.590 7.069 -12.703 1.00 0.00 N ATOM 0 H LYS A 78 4.556 2.017 -9.765 1.00 0.00 H new ATOM 0 HA LYS A 78 5.052 0.960 -12.376 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.007 3.201 -10.647 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.122 2.658 -11.886 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.021 2.860 -13.476 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.393 3.894 -12.207 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.117 4.283 -13.508 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.661 5.102 -14.038 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.491 5.762 -11.452 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.216 5.454 -11.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.729 7.767 -11.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.436 7.041 -13.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.764 7.339 -13.275 1.00 0.00 H new ATOM 1267 N ASN A 79 7.111 0.208 -9.929 1.00 0.00 N ATOM 1268 CA ASN A 79 8.212 -0.668 -9.547 1.00 0.00 C ATOM 1269 C ASN A 79 7.748 -2.119 -9.460 1.00 0.00 C ATOM 1270 O ASN A 79 8.490 -2.993 -9.012 1.00 0.00 O ATOM 1271 CB ASN A 79 8.800 -0.227 -8.205 1.00 0.00 C ATOM 1272 CG ASN A 79 9.749 0.947 -8.347 1.00 0.00 C ATOM 1273 OD1 ASN A 79 10.898 0.784 -8.760 1.00 0.00 O ATOM 1274 ND2 ASN A 79 9.273 2.138 -8.003 1.00 0.00 N ATOM 0 H ASN A 79 6.691 0.720 -9.153 1.00 0.00 H new ATOM 0 HA ASN A 79 8.983 -0.597 -10.314 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.990 0.044 -7.528 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.328 -1.065 -7.750 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.866 2.965 -8.076 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.314 2.226 -7.666 1.00 0.00 H new ATOM 1281 N HIS A 80 6.516 -2.367 -9.891 1.00 0.00 N ATOM 1282 CA HIS A 80 5.952 -3.712 -9.864 1.00 0.00 C ATOM 1283 C HIS A 80 5.813 -4.213 -8.429 1.00 0.00 C ATOM 1284 O HIS A 80 5.935 -5.409 -8.164 1.00 0.00 O ATOM 1285 CB HIS A 80 6.829 -4.672 -10.668 1.00 0.00 C ATOM 1286 CG HIS A 80 6.091 -5.869 -11.183 1.00 0.00 C ATOM 1287 ND1 HIS A 80 6.570 -6.669 -12.198 1.00 0.00 N ATOM 1288 CD2 HIS A 80 4.902 -6.402 -10.815 1.00 0.00 C ATOM 1289 CE1 HIS A 80 5.707 -7.641 -12.434 1.00 0.00 C ATOM 1290 NE2 HIS A 80 4.686 -7.502 -11.607 1.00 0.00 N ATOM 0 H HIS A 80 5.889 -1.654 -10.263 1.00 0.00 H new ATOM 0 HA HIS A 80 4.961 -3.673 -10.315 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.265 -4.134 -11.510 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.656 -5.007 -10.041 1.00 0.00 H new ATOM 0 HD1 HIS A 80 7.453 -6.532 -12.690 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.246 -6.031 -10.042 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.817 -8.417 -13.177 1.00 0.00 H new ATOM 1298 N VAL A 81 5.557 -3.290 -7.507 1.00 0.00 N ATOM 1299 CA VAL A 81 5.401 -3.638 -6.100 1.00 0.00 C ATOM 1300 C VAL A 81 3.991 -4.139 -5.811 1.00 0.00 C ATOM 1301 O VAL A 81 3.793 -5.018 -4.972 1.00 0.00 O ATOM 1302 CB VAL A 81 5.704 -2.435 -5.187 1.00 0.00 C ATOM 1303 CG1 VAL A 81 5.463 -2.796 -3.730 1.00 0.00 C ATOM 1304 CG2 VAL A 81 7.131 -1.953 -5.398 1.00 0.00 C ATOM 0 H VAL A 81 5.453 -2.296 -7.710 1.00 0.00 H new ATOM 0 HA VAL A 81 6.116 -4.433 -5.890 1.00 0.00 H new ATOM 0 HB VAL A 81 5.028 -1.621 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.682 -1.934 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.422 -3.088 -3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.112 -3.625 -3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.328 -1.103 -4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.826 -2.759 -5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.263 -1.651 -6.437 1.00 0.00 H new ATOM 1314 N ILE A 82 3.013 -3.575 -6.512 1.00 0.00 N ATOM 1315 CA ILE A 82 1.621 -3.966 -6.332 1.00 0.00 C ATOM 1316 C ILE A 82 0.933 -4.185 -7.676 1.00 0.00 C ATOM 1317 O ILE A 82 1.080 -3.383 -8.597 1.00 0.00 O ATOM 1318 CB ILE A 82 0.837 -2.907 -5.534 1.00 0.00 C ATOM 1319 CG1 ILE A 82 1.099 -1.511 -6.103 1.00 0.00 C ATOM 1320 CG2 ILE A 82 1.217 -2.965 -4.062 1.00 0.00 C ATOM 1321 CD1 ILE A 82 -0.026 -0.533 -5.846 1.00 0.00 C ATOM 0 H ILE A 82 3.159 -2.846 -7.210 1.00 0.00 H new ATOM 0 HA ILE A 82 1.626 -4.901 -5.772 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.228 -3.121 -5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.018 -1.117 -5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.262 -1.590 -7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.655 -2.211 -3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.984 -3.953 -3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.284 -2.773 -3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.228 0.435 -6.277 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.943 -0.905 -6.304 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.175 -0.424 -4.772 1.00 0.00 H new ATOM 1333 N GLU A 83 0.181 -5.277 -7.778 1.00 0.00 N ATOM 1334 CA GLU A 83 -0.530 -5.601 -9.009 1.00 0.00 C ATOM 1335 C GLU A 83 -2.040 -5.561 -8.791 1.00 0.00 C ATOM 1336 O GLU A 83 -2.522 -5.738 -7.672 1.00 0.00 O ATOM 1337 CB GLU A 83 -0.113 -6.983 -9.517 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.154 -7.644 -10.404 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.662 -8.944 -11.011 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.007 -8.891 -12.064 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -0.946 -10.014 -10.433 1.00 0.00 O ATOM 0 H GLU A 83 0.049 -5.951 -7.024 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.268 -4.853 -9.757 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.820 -6.890 -10.073 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.088 -7.630 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.054 -7.838 -9.820 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.434 -6.957 -11.203 1.00 0.00 H new ATOM 1348 N ASP A 84 -2.781 -5.328 -9.869 1.00 0.00 N ATOM 1349 CA ASP A 84 -4.236 -5.265 -9.797 1.00 0.00 C ATOM 1350 C ASP A 84 -4.852 -6.641 -10.034 1.00 0.00 C ATOM 1351 O ASP A 84 -4.171 -7.569 -10.470 1.00 0.00 O ATOM 1352 CB ASP A 84 -4.776 -4.267 -10.823 1.00 0.00 C ATOM 1353 CG ASP A 84 -4.132 -4.432 -12.185 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -2.975 -3.992 -12.351 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -4.785 -4.999 -13.086 1.00 0.00 O ATOM 0 H ASP A 84 -2.398 -5.180 -10.803 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.512 -4.931 -8.797 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.855 -4.394 -10.916 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.605 -3.252 -10.464 1.00 0.00 H new ATOM 1360 N ILE A 85 -6.142 -6.764 -9.743 1.00 0.00 N ATOM 1361 CA ILE A 85 -6.849 -8.026 -9.925 1.00 0.00 C ATOM 1362 C ILE A 85 -6.662 -8.562 -11.340 1.00 0.00 C ATOM 1363 O ILE A 85 -6.540 -9.769 -11.548 1.00 0.00 O ATOM 1364 CB ILE A 85 -8.355 -7.874 -9.640 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -9.120 -9.092 -10.161 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -8.888 -6.597 -10.272 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -10.427 -9.339 -9.440 1.00 0.00 C ATOM 0 H ILE A 85 -6.719 -6.005 -9.380 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.422 -8.732 -9.213 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.501 -7.810 -8.562 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.321 -8.957 -11.224 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.489 -9.976 -10.065 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.953 -6.504 -10.062 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.360 -5.738 -9.858 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.733 -6.632 -11.350 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.915 -10.218 -9.862 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -10.232 -9.506 -8.381 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.077 -8.472 -9.557 1.00 0.00 H new ATOM 1379 N LYS A 86 -6.639 -7.655 -12.312 1.00 0.00 N ATOM 1380 CA LYS A 86 -6.464 -8.035 -13.708 1.00 0.00 C ATOM 1381 C LYS A 86 -5.042 -8.522 -13.966 1.00 0.00 C ATOM 1382 O LYS A 86 -4.835 -9.588 -14.544 1.00 0.00 O ATOM 1383 CB LYS A 86 -6.783 -6.850 -14.624 1.00 0.00 C ATOM 1384 CG LYS A 86 -8.252 -6.744 -14.992 1.00 0.00 C ATOM 1385 CD LYS A 86 -9.110 -6.428 -13.778 1.00 0.00 C ATOM 1386 CE LYS A 86 -9.217 -4.929 -13.547 1.00 0.00 C ATOM 1387 NZ LYS A 86 -10.202 -4.294 -14.466 1.00 0.00 N ATOM 0 H LYS A 86 -6.739 -6.652 -12.158 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.153 -8.851 -13.925 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.473 -5.928 -14.132 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.194 -6.938 -15.537 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.384 -5.967 -15.744 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.584 -7.681 -15.440 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.106 -6.848 -13.916 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.683 -6.904 -12.895 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.511 -4.741 -12.514 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.239 -4.469 -13.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.245 -3.272 -14.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.909 -4.451 -15.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.141 -4.714 -14.313 1.00 0.00 H new ATOM 1401 N GLY A 87 -4.063 -7.734 -13.531 1.00 0.00 N ATOM 1402 CA GLY A 87 -2.673 -8.103 -13.722 1.00 0.00 C ATOM 1403 C GLY A 87 -1.902 -7.067 -14.516 1.00 0.00 C ATOM 1404 O GLY A 87 -0.954 -7.399 -15.227 1.00 0.00 O ATOM 0 H GLY A 87 -4.208 -6.847 -13.050 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.199 -8.238 -12.750 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.622 -9.062 -14.237 1.00 0.00 H new ATOM 1408 N ARG A 88 -2.311 -5.808 -14.397 1.00 0.00 N ATOM 1409 CA ARG A 88 -1.654 -4.720 -15.112 1.00 0.00 C ATOM 1410 C ARG A 88 -0.604 -4.048 -14.233 1.00 0.00 C ATOM 1411 O ARG A 88 -0.933 -3.249 -13.357 1.00 0.00 O ATOM 1412 CB ARG A 88 -2.685 -3.688 -15.573 1.00 0.00 C ATOM 1413 CG ARG A 88 -3.536 -4.158 -16.742 1.00 0.00 C ATOM 1414 CD ARG A 88 -4.404 -3.034 -17.287 1.00 0.00 C ATOM 1415 NE ARG A 88 -5.642 -2.881 -16.527 1.00 0.00 N ATOM 1416 CZ ARG A 88 -6.339 -1.751 -16.479 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -5.922 -0.682 -17.143 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -7.456 -1.690 -15.766 1.00 0.00 N ATOM 0 H ARG A 88 -3.094 -5.516 -13.812 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.156 -5.141 -15.985 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.338 -3.440 -14.736 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.168 -2.771 -15.856 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.890 -4.537 -17.534 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.169 -4.986 -16.423 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.845 -2.099 -17.261 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.642 -3.234 -18.332 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.990 -3.685 -16.005 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.064 -0.726 -17.693 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.459 0.184 -17.104 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.780 -2.511 -15.254 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.991 -0.822 -15.729 1.00 0.00 H new ATOM 1432 N TRP A 89 0.660 -4.377 -14.474 1.00 0.00 N ATOM 1433 CA TRP A 89 1.759 -3.806 -13.703 1.00 0.00 C ATOM 1434 C TRP A 89 2.731 -3.062 -14.612 1.00 0.00 C ATOM 1435 O TRP A 89 3.337 -3.653 -15.505 1.00 0.00 O ATOM 1436 CB TRP A 89 2.496 -4.904 -12.936 1.00 0.00 C ATOM 1437 CG TRP A 89 3.574 -5.569 -13.739 1.00 0.00 C ATOM 1438 CD1 TRP A 89 3.471 -6.736 -14.440 1.00 0.00 C ATOM 1439 CD2 TRP A 89 4.916 -5.106 -13.920 1.00 0.00 C ATOM 1440 NE1 TRP A 89 4.669 -7.027 -15.047 1.00 0.00 N ATOM 1441 CE2 TRP A 89 5.572 -6.042 -14.745 1.00 0.00 C ATOM 1442 CE3 TRP A 89 5.628 -3.991 -13.469 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 6.903 -5.895 -15.124 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 6.950 -3.847 -13.846 1.00 0.00 C ATOM 1445 CH2 TRP A 89 7.576 -4.795 -14.667 1.00 0.00 C ATOM 0 H TRP A 89 0.949 -5.036 -15.197 1.00 0.00 H new ATOM 0 HA TRP A 89 1.340 -3.095 -12.991 1.00 0.00 H new ATOM 0 HB2 TRP A 89 2.936 -4.476 -12.035 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.777 -5.657 -12.613 1.00 0.00 H new ATOM 0 HD1 TRP A 89 2.579 -7.341 -14.508 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.856 -7.844 -15.628 1.00 0.00 H new ATOM 0 HE3 TRP A 89 5.154 -3.255 -12.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 7.388 -6.624 -15.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.510 -2.990 -13.502 1.00 0.00 H new ATOM 0 HH2 TRP A 89 8.610 -4.654 -14.944 1.00 0.00 H new ATOM 1456 N GLY A 90 2.877 -1.761 -14.378 1.00 0.00 N ATOM 1457 CA GLY A 90 3.778 -0.959 -15.184 1.00 0.00 C ATOM 1458 C GLY A 90 3.179 0.382 -15.563 1.00 0.00 C ATOM 1459 O GLY A 90 3.410 0.884 -16.663 1.00 0.00 O ATOM 0 H GLY A 90 2.387 -1.249 -13.645 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.705 -0.797 -14.635 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.036 -1.507 -16.090 1.00 0.00 H new ATOM 1463 N SER A 91 2.407 0.962 -14.650 1.00 0.00 N ATOM 1464 CA SER A 91 1.769 2.250 -14.896 1.00 0.00 C ATOM 1465 C SER A 91 1.853 3.142 -13.661 1.00 0.00 C ATOM 1466 O SER A 91 2.180 2.679 -12.569 1.00 0.00 O ATOM 1467 CB SER A 91 0.306 2.050 -15.296 1.00 0.00 C ATOM 1468 OG SER A 91 -0.508 3.095 -14.792 1.00 0.00 O ATOM 0 H SER A 91 2.208 0.561 -13.734 1.00 0.00 H new ATOM 0 HA SER A 91 2.298 2.740 -15.714 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.225 2.013 -16.382 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.050 1.092 -14.917 1.00 0.00 H new ATOM 0 HG SER A 91 -0.435 3.878 -15.377 1.00 0.00 H new ATOM 1474 N GLU A 92 1.555 4.425 -13.844 1.00 0.00 N ATOM 1475 CA GLU A 92 1.598 5.383 -12.746 1.00 0.00 C ATOM 1476 C GLU A 92 0.218 5.985 -12.495 1.00 0.00 C ATOM 1477 O GLU A 92 0.086 6.994 -11.804 1.00 0.00 O ATOM 1478 CB GLU A 92 2.605 6.495 -13.048 1.00 0.00 C ATOM 1479 CG GLU A 92 2.441 7.104 -14.430 1.00 0.00 C ATOM 1480 CD GLU A 92 1.326 8.130 -14.487 1.00 0.00 C ATOM 1481 OE1 GLU A 92 1.469 9.198 -13.856 1.00 0.00 O ATOM 1482 OE2 GLU A 92 0.310 7.865 -15.163 1.00 0.00 O ATOM 0 H GLU A 92 1.281 4.824 -14.742 1.00 0.00 H new ATOM 0 HA GLU A 92 1.913 4.853 -11.847 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.502 7.280 -12.299 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.615 6.095 -12.954 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.378 7.574 -14.729 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.238 6.312 -15.150 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.807 5.357 -13.062 1.00 0.00 N ATOM 1490 CA ASN A 93 -2.177 5.831 -12.901 1.00 0.00 C ATOM 1491 C ASN A 93 -2.887 5.071 -11.785 1.00 0.00 C ATOM 1492 O ASN A 93 -3.320 3.934 -11.971 1.00 0.00 O ATOM 1493 CB ASN A 93 -2.950 5.674 -14.213 1.00 0.00 C ATOM 1494 CG ASN A 93 -4.406 6.075 -14.077 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -4.795 6.723 -13.105 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -5.219 5.690 -15.054 1.00 0.00 N ATOM 0 H ASN A 93 -0.715 4.519 -13.637 1.00 0.00 H new ATOM 0 HA ASN A 93 -2.142 6.887 -12.632 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.479 6.283 -14.984 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.891 4.637 -14.545 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.210 5.930 -15.018 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.853 5.154 -15.841 1.00 0.00 H new ATOM 1503 N VAL A 94 -3.006 5.709 -10.625 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.665 5.095 -9.479 1.00 0.00 C ATOM 1505 C VAL A 94 -4.487 6.119 -8.704 1.00 0.00 C ATOM 1506 O VAL A 94 -3.937 7.032 -8.087 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.645 4.445 -8.526 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -2.034 3.206 -9.163 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.565 5.444 -8.140 1.00 0.00 C ATOM 0 H VAL A 94 -2.654 6.651 -10.454 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.327 4.323 -9.871 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.165 4.139 -7.618 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.316 2.760 -8.475 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.821 2.485 -9.384 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.527 3.484 -10.087 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.853 4.968 -7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.046 5.783 -9.036 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.022 6.298 -7.640 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.805 5.962 -8.741 1.00 0.00 N ATOM 1520 CA ASP A 95 -6.704 6.872 -8.040 1.00 0.00 C ATOM 1521 C ASP A 95 -7.155 6.275 -6.711 1.00 0.00 C ATOM 1522 O ASP A 95 -7.024 5.072 -6.484 1.00 0.00 O ATOM 1523 CB ASP A 95 -7.921 7.191 -8.910 1.00 0.00 C ATOM 1524 CG ASP A 95 -7.565 8.038 -10.116 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -7.528 9.279 -9.979 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -7.324 7.460 -11.197 1.00 0.00 O ATOM 0 H ASP A 95 -6.275 5.213 -9.249 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.161 7.795 -7.836 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.378 6.260 -9.246 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.666 7.714 -8.310 1.00 0.00 H new ATOM 1531 N ASP A 96 -7.686 7.123 -5.837 1.00 0.00 N ATOM 1532 CA ASP A 96 -8.157 6.679 -4.530 1.00 0.00 C ATOM 1533 C ASP A 96 -9.547 6.059 -4.635 1.00 0.00 C ATOM 1534 O ASP A 96 -10.116 5.616 -3.639 1.00 0.00 O ATOM 1535 CB ASP A 96 -8.180 7.851 -3.548 1.00 0.00 C ATOM 1536 CG ASP A 96 -9.084 8.977 -4.011 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -10.030 8.700 -4.777 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -8.844 10.134 -3.607 1.00 0.00 O ATOM 0 H ASP A 96 -7.801 8.122 -6.010 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.468 5.920 -4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.515 7.498 -2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.167 8.232 -3.418 1.00 0.00 H new ATOM 1543 N ASN A 97 -10.088 6.034 -5.849 1.00 0.00 N ATOM 1544 CA ASN A 97 -11.412 5.471 -6.084 1.00 0.00 C ATOM 1545 C ASN A 97 -11.423 3.971 -5.806 1.00 0.00 C ATOM 1546 O ASN A 97 -10.384 3.375 -5.524 1.00 0.00 O ATOM 1547 CB ASN A 97 -11.855 5.737 -7.524 1.00 0.00 C ATOM 1548 CG ASN A 97 -11.636 7.179 -7.939 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -11.732 8.094 -7.120 1.00 0.00 O ATOM 1550 ND2 ASN A 97 -11.340 7.389 -9.216 1.00 0.00 N ATOM 0 H ASN A 97 -9.630 6.397 -6.685 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.111 5.954 -5.401 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -11.305 5.080 -8.198 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.911 5.488 -7.628 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.182 8.339 -9.553 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.271 6.601 -9.860 1.00 0.00 H new ATOM 1557 N ASN A 98 -12.604 3.367 -5.889 1.00 0.00 N ATOM 1558 CA ASN A 98 -12.750 1.936 -5.647 1.00 0.00 C ATOM 1559 C ASN A 98 -12.028 1.127 -6.720 1.00 0.00 C ATOM 1560 O ASN A 98 -12.477 1.056 -7.864 1.00 0.00 O ATOM 1561 CB ASN A 98 -14.230 1.552 -5.612 1.00 0.00 C ATOM 1562 CG ASN A 98 -14.808 1.348 -6.999 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -14.836 2.414 -7.790 1.00 0.00 O flip ATOM 1564 ND2 ASN A 98 -15.223 0.246 -7.355 1.00 0.00 N flip ATOM 0 H ASN A 98 -13.474 3.846 -6.122 1.00 0.00 H new ATOM 0 HA ASN A 98 -12.300 1.708 -4.681 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.351 0.637 -5.033 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.793 2.331 -5.098 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -15.182 -0.546 -6.714 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -15.608 0.124 -8.292 1.00 0.00 H new ATOM 1571 N GLN A 99 -10.909 0.518 -6.341 1.00 0.00 N ATOM 1572 CA GLN A 99 -10.125 -0.287 -7.271 1.00 0.00 C ATOM 1573 C GLN A 99 -9.374 -1.392 -6.536 1.00 0.00 C ATOM 1574 O GLN A 99 -8.417 -1.128 -5.807 1.00 0.00 O ATOM 1575 CB GLN A 99 -9.138 0.596 -8.036 1.00 0.00 C ATOM 1576 CG GLN A 99 -9.807 1.681 -8.864 1.00 0.00 C ATOM 1577 CD GLN A 99 -8.982 2.087 -10.069 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -7.956 1.475 -10.369 1.00 0.00 O ATOM 1579 NE2 GLN A 99 -9.426 3.124 -10.769 1.00 0.00 N ATOM 0 H GLN A 99 -10.525 0.566 -5.397 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.812 -0.750 -7.980 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.455 1.062 -7.326 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.536 -0.032 -8.693 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.783 1.328 -9.198 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.982 2.555 -8.237 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.281 3.602 -10.485 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.912 3.442 -11.591 1.00 0.00 H new ATOM 1588 N LEU A 100 -9.814 -2.630 -6.731 1.00 0.00 N ATOM 1589 CA LEU A 100 -9.183 -3.777 -6.086 1.00 0.00 C ATOM 1590 C LEU A 100 -7.695 -3.835 -6.414 1.00 0.00 C ATOM 1591 O LEU A 100 -7.241 -3.247 -7.396 1.00 0.00 O ATOM 1592 CB LEU A 100 -9.865 -5.073 -6.526 1.00 0.00 C ATOM 1593 CG LEU A 100 -11.367 -5.168 -6.254 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -11.953 -6.405 -6.916 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -11.637 -5.183 -4.756 1.00 0.00 C ATOM 0 H LEU A 100 -10.605 -2.866 -7.330 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.294 -3.663 -5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.701 -5.201 -7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.372 -5.907 -6.026 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.851 -4.290 -6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.022 -6.455 -6.711 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.792 -6.352 -7.993 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.465 -7.296 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.711 -5.251 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.141 -6.042 -4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.253 -4.266 -4.308 1.00 0.00 H new ATOM 1607 N PHE A 101 -6.939 -4.550 -5.587 1.00 0.00 N ATOM 1608 CA PHE A 101 -5.502 -4.687 -5.789 1.00 0.00 C ATOM 1609 C PHE A 101 -4.993 -6.001 -5.204 1.00 0.00 C ATOM 1610 O PHE A 101 -5.732 -6.723 -4.535 1.00 0.00 O ATOM 1611 CB PHE A 101 -4.761 -3.511 -5.151 1.00 0.00 C ATOM 1612 CG PHE A 101 -4.640 -2.317 -6.054 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -3.667 -2.272 -7.039 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -5.501 -1.239 -5.919 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -3.553 -1.174 -7.871 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -5.392 -0.139 -6.748 1.00 0.00 C ATOM 1617 CZ PHE A 101 -4.418 -0.107 -7.726 1.00 0.00 C ATOM 0 H PHE A 101 -7.299 -5.044 -4.770 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.310 -4.689 -6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.281 -3.216 -4.240 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.763 -3.837 -4.857 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.990 -3.105 -7.158 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.266 -1.259 -5.157 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -2.788 -1.150 -8.633 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.068 0.695 -6.631 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.333 0.751 -8.377 1.00 0.00 H new ATOM 1627 N ARG A 102 -3.725 -6.305 -5.463 1.00 0.00 N ATOM 1628 CA ARG A 102 -3.117 -7.533 -4.964 1.00 0.00 C ATOM 1629 C ARG A 102 -1.597 -7.473 -5.081 1.00 0.00 C ATOM 1630 O ARG A 102 -1.052 -6.644 -5.810 1.00 0.00 O ATOM 1631 CB ARG A 102 -3.651 -8.742 -5.734 1.00 0.00 C ATOM 1632 CG ARG A 102 -3.219 -8.775 -7.191 1.00 0.00 C ATOM 1633 CD ARG A 102 -4.064 -9.745 -8.001 1.00 0.00 C ATOM 1634 NE ARG A 102 -3.542 -11.108 -7.942 1.00 0.00 N ATOM 1635 CZ ARG A 102 -3.819 -11.959 -6.961 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -4.610 -11.591 -5.963 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -3.306 -13.183 -6.978 1.00 0.00 N ATOM 0 H ARG A 102 -3.099 -5.718 -6.015 1.00 0.00 H new ATOM 0 HA ARG A 102 -3.380 -7.637 -3.911 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.312 -9.654 -5.242 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.740 -8.740 -5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.300 -7.776 -7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.170 -9.064 -7.254 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.088 -9.733 -7.628 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.099 -9.415 -9.039 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.931 -11.423 -8.696 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.008 -10.652 -5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.821 -12.247 -5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.698 -13.471 -7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.519 -13.836 -6.224 1.00 0.00 H new ATOM 1651 N PHE A 103 -0.917 -8.357 -4.358 1.00 0.00 N ATOM 1652 CA PHE A 103 0.540 -8.404 -4.379 1.00 0.00 C ATOM 1653 C PHE A 103 1.034 -9.631 -5.141 1.00 0.00 C ATOM 1654 O PHE A 103 0.473 -10.722 -5.041 1.00 0.00 O ATOM 1655 CB PHE A 103 1.092 -8.419 -2.952 1.00 0.00 C ATOM 1656 CG PHE A 103 2.441 -7.770 -2.824 1.00 0.00 C ATOM 1657 CD1 PHE A 103 2.549 -6.414 -2.566 1.00 0.00 C ATOM 1658 CD2 PHE A 103 3.599 -8.517 -2.963 1.00 0.00 C ATOM 1659 CE1 PHE A 103 3.789 -5.813 -2.447 1.00 0.00 C ATOM 1660 CE2 PHE A 103 4.841 -7.923 -2.844 1.00 0.00 C ATOM 1661 CZ PHE A 103 4.936 -6.569 -2.587 1.00 0.00 C ATOM 0 H PHE A 103 -1.352 -9.051 -3.750 1.00 0.00 H new ATOM 0 HA PHE A 103 0.900 -7.511 -4.891 1.00 0.00 H new ATOM 0 HB2 PHE A 103 0.389 -7.909 -2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.160 -9.451 -2.608 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.655 -5.819 -2.456 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.531 -9.575 -3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 103 3.860 -4.754 -2.245 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.737 -8.517 -2.952 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.906 -6.103 -2.496 1.00 0.00 H new ATOM 1671 N PRO A 104 2.109 -9.448 -5.922 1.00 0.00 N ATOM 1672 CA PRO A 104 2.702 -10.528 -6.716 1.00 0.00 C ATOM 1673 C PRO A 104 3.389 -11.576 -5.848 1.00 0.00 C ATOM 1674 O PRO A 104 3.901 -11.266 -4.773 1.00 0.00 O ATOM 1675 CB PRO A 104 3.728 -9.803 -7.591 1.00 0.00 C ATOM 1676 CG PRO A 104 4.077 -8.574 -6.825 1.00 0.00 C ATOM 1677 CD PRO A 104 2.828 -8.174 -6.090 1.00 0.00 C ATOM 0 HA PRO A 104 1.950 -11.077 -7.283 1.00 0.00 H new ATOM 0 HB2 PRO A 104 4.607 -10.423 -7.767 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.312 -9.556 -8.568 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.894 -8.767 -6.130 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.408 -7.779 -7.493 1.00 0.00 H new ATOM 0 HD2 PRO A 104 3.057 -7.712 -5.130 1.00 0.00 H new ATOM 0 HD3 PRO A 104 2.241 -7.453 -6.658 1.00 0.00 H new ATOM 1685 N ALA A 105 3.396 -12.818 -6.322 1.00 0.00 N ATOM 1686 CA ALA A 105 4.023 -13.911 -5.589 1.00 0.00 C ATOM 1687 C ALA A 105 5.478 -14.090 -6.008 1.00 0.00 C ATOM 1688 O ALA A 105 5.818 -13.946 -7.183 1.00 0.00 O ATOM 1689 CB ALA A 105 3.248 -15.203 -5.804 1.00 0.00 C ATOM 0 H ALA A 105 2.975 -13.092 -7.210 1.00 0.00 H new ATOM 0 HA ALA A 105 4.006 -13.661 -4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.727 -16.011 -5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.225 -15.077 -5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.236 -15.448 -6.866 1.00 0.00 H new TER 1695 ALA A 105