USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 740 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 39 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 45 LYS NZ :NH3+ -134:sc= -0.557 (180deg=-2.49!) USER MOD Single : A 16 GLN : amide:sc= -0.303 X(o=-0.3,f=0) USER MOD Single : A 20 SER OG : rot 146:sc= -0.941 USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0256) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.67 USER MOD Single : A 28 LYS NZ :NH3+ -118:sc= 0.302 (180deg=-0.339) USER MOD Single : A 29 LYS NZ :NH3+ -108:sc= -0.23 (180deg=-2.47!) USER MOD Single : A 33 LYS NZ :NH3+ -106:sc= 0.728 (180deg=0.0118) USER MOD Single : A 35 ASN : amide:sc= -0.932 K(o=-0.93,f=-1.9!) USER MOD Single : A 42 LYS NZ :NH3+ -138:sc= -0.134 (180deg=-0.783) USER MOD Single : A 49 ASN : amide:sc= -0.942 K(o=-0.94,f=-0.4) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -1.53 K(o=-1.5,f=-0.87) USER MOD Single : A 58 SER OG : rot 160:sc= -1.03 USER MOD Single : A 63 MET CE :methyl 165:sc= -6.95! (180deg=-9.12!) USER MOD Single : A 65 LYS NZ :NH3+ -112:sc= 0.133 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -53:sc= 1.08 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -165:sc= -3.09 (180deg=-4.74!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 77 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.72) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 150:sc= 0.0696 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 105:sc= 1.14 USER MOD Single : A 92 SER OG : rot 88:sc= 0.419 USER MOD Single : A 95 GLN : amide:sc= -1.56 K(o=-1.6,f=-5.2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -138:sc= 0.865 (180deg=-1.35) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 16 -4.046 -26.216 3.732 1.00 0.00 N ATOM 2 CA GLN A 16 -5.176 -26.471 2.847 1.00 0.00 C ATOM 3 C GLN A 16 -6.295 -25.465 3.092 1.00 0.00 C ATOM 4 O GLN A 16 -6.583 -25.107 4.234 1.00 0.00 O ATOM 5 CB GLN A 16 -5.699 -27.894 3.050 1.00 0.00 C ATOM 6 CG GLN A 16 -4.695 -28.971 2.675 1.00 0.00 C ATOM 7 CD GLN A 16 -4.743 -29.325 1.201 1.00 0.00 C ATOM 8 OE1 GLN A 16 -5.285 -30.361 0.817 1.00 0.00 O ATOM 9 NE2 GLN A 16 -4.175 -28.461 0.367 1.00 0.00 N ATOM 0 HA GLN A 16 -4.832 -26.362 1.818 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.983 -28.022 4.094 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.602 -28.028 2.455 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.691 -28.632 2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.890 -29.866 3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.737 -27.614 0.730 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.177 -28.644 -0.636 1.00 0.00 H new ATOM 18 N GLY A 17 -6.928 -25.015 2.014 1.00 0.00 N ATOM 19 CA GLY A 17 -8.010 -24.055 2.134 1.00 0.00 C ATOM 20 C GLY A 17 -7.511 -22.629 2.270 1.00 0.00 C ATOM 21 O GLY A 17 -6.329 -22.361 2.050 1.00 0.00 O ATOM 0 H GLY A 17 -6.711 -25.298 1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.655 -24.129 1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.620 -24.307 3.001 1.00 0.00 H new ATOM 25 N PRO A 18 -8.393 -21.683 2.635 1.00 0.00 N ATOM 26 CA PRO A 18 -8.021 -20.273 2.796 1.00 0.00 C ATOM 27 C PRO A 18 -7.128 -20.047 4.011 1.00 0.00 C ATOM 28 O PRO A 18 -7.588 -19.580 5.054 1.00 0.00 O ATOM 29 CB PRO A 18 -9.366 -19.568 2.979 1.00 0.00 C ATOM 30 CG PRO A 18 -10.271 -20.615 3.529 1.00 0.00 C ATOM 31 CD PRO A 18 -9.822 -21.914 2.918 1.00 0.00 C ATOM 0 HA PRO A 18 -7.445 -19.903 1.948 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.280 -18.722 3.660 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.741 -19.178 2.032 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.208 -20.653 4.617 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.310 -20.404 3.277 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.966 -22.751 3.602 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.379 -22.145 2.010 1.00 0.00 H new ATOM 39 N GLY A 19 -5.849 -20.382 3.872 1.00 0.00 N ATOM 40 CA GLY A 19 -4.913 -20.207 4.968 1.00 0.00 C ATOM 41 C GLY A 19 -3.737 -19.328 4.590 1.00 0.00 C ATOM 42 O GLY A 19 -2.588 -19.654 4.886 1.00 0.00 O ATOM 0 H GLY A 19 -5.444 -20.771 3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.433 -19.767 5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.546 -21.182 5.288 1.00 0.00 H new ATOM 46 N SER A 20 -4.026 -18.209 3.933 1.00 0.00 N ATOM 47 CA SER A 20 -2.985 -17.277 3.513 1.00 0.00 C ATOM 48 C SER A 20 -3.593 -16.050 2.842 1.00 0.00 C ATOM 49 O SER A 20 -3.136 -14.926 3.047 1.00 0.00 O ATOM 50 CB SER A 20 -2.010 -17.965 2.556 1.00 0.00 C ATOM 51 OG SER A 20 -0.676 -17.553 2.801 1.00 0.00 O ATOM 0 H SER A 20 -4.973 -17.926 3.680 1.00 0.00 H new ATOM 0 HA SER A 20 -2.443 -16.953 4.401 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.086 -19.046 2.670 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.282 -17.733 1.526 1.00 0.00 H new ATOM 0 HG SER A 20 -0.066 -18.301 2.631 1.00 0.00 H new ATOM 57 N LEU A 21 -4.626 -16.273 2.035 1.00 0.00 N ATOM 58 CA LEU A 21 -5.299 -15.187 1.331 1.00 0.00 C ATOM 59 C LEU A 21 -5.846 -14.156 2.313 1.00 0.00 C ATOM 60 O LEU A 21 -5.894 -12.963 2.013 1.00 0.00 O ATOM 61 CB LEU A 21 -6.436 -15.737 0.468 1.00 0.00 C ATOM 62 CG LEU A 21 -5.994 -16.625 -0.700 1.00 0.00 C ATOM 63 CD1 LEU A 21 -6.392 -18.071 -0.455 1.00 0.00 C ATOM 64 CD2 LEU A 21 -6.588 -16.122 -2.009 1.00 0.00 C ATOM 0 H LEU A 21 -5.016 -17.198 1.852 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.567 -14.698 0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.110 -16.310 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.008 -14.899 0.071 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.908 -16.577 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.069 -18.685 -1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.918 -18.429 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.475 -18.138 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.263 -16.765 -2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.676 -16.138 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.251 -15.102 -2.193 1.00 0.00 H new ATOM 76 N VAL A 22 -6.260 -14.625 3.486 1.00 0.00 N ATOM 77 CA VAL A 22 -6.806 -13.742 4.509 1.00 0.00 C ATOM 78 C VAL A 22 -5.784 -12.694 4.941 1.00 0.00 C ATOM 79 O VAL A 22 -6.097 -11.505 5.016 1.00 0.00 O ATOM 80 CB VAL A 22 -7.273 -14.537 5.745 1.00 0.00 C ATOM 81 CG1 VAL A 22 -6.111 -15.290 6.372 1.00 0.00 C ATOM 82 CG2 VAL A 22 -7.930 -13.610 6.758 1.00 0.00 C ATOM 0 H VAL A 22 -6.228 -15.610 3.751 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.665 -13.238 4.066 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.013 -15.270 5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.463 -15.844 7.242 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.693 -15.985 5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.342 -14.581 6.680 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.253 -14.188 7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.214 -12.851 7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.793 -13.126 6.302 1.00 0.00 H new ATOM 92 N LYS A 23 -4.561 -13.137 5.219 1.00 0.00 N ATOM 93 CA LYS A 23 -3.499 -12.227 5.636 1.00 0.00 C ATOM 94 C LYS A 23 -3.242 -11.183 4.557 1.00 0.00 C ATOM 95 O LYS A 23 -3.212 -9.980 4.829 1.00 0.00 O ATOM 96 CB LYS A 23 -2.214 -13.006 5.928 1.00 0.00 C ATOM 97 CG LYS A 23 -2.292 -13.861 7.182 1.00 0.00 C ATOM 98 CD LYS A 23 -0.941 -13.962 7.872 1.00 0.00 C ATOM 99 CE LYS A 23 -0.669 -15.377 8.361 1.00 0.00 C ATOM 100 NZ LYS A 23 -1.683 -15.826 9.355 1.00 0.00 N ATOM 0 H LYS A 23 -4.282 -14.116 5.163 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.817 -11.720 6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.986 -13.646 5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.388 -12.302 6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.022 -13.434 7.870 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.644 -14.859 6.922 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.155 -13.657 7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.909 -13.272 8.715 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.666 -16.060 7.512 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.323 -15.422 8.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.389 -16.736 9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.765 -15.117 10.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.604 -15.939 8.885 1.00 0.00 H new ATOM 114 N VAL A 24 -3.072 -11.655 3.329 1.00 0.00 N ATOM 115 CA VAL A 24 -2.831 -10.770 2.198 1.00 0.00 C ATOM 116 C VAL A 24 -3.962 -9.754 2.072 1.00 0.00 C ATOM 117 O VAL A 24 -3.727 -8.573 1.813 1.00 0.00 O ATOM 118 CB VAL A 24 -2.704 -11.560 0.881 1.00 0.00 C ATOM 119 CG1 VAL A 24 -2.157 -10.671 -0.224 1.00 0.00 C ATOM 120 CG2 VAL A 24 -1.821 -12.785 1.073 1.00 0.00 C ATOM 0 H VAL A 24 -3.097 -12.647 3.091 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.890 -10.251 2.381 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.697 -11.899 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.074 -11.246 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.831 -9.829 -0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.173 -10.300 0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.744 -13.329 0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.827 -12.471 1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.258 -13.433 1.832 1.00 0.00 H new ATOM 130 N GLY A 25 -5.190 -10.222 2.279 1.00 0.00 N ATOM 131 CA GLY A 25 -6.337 -9.341 2.205 1.00 0.00 C ATOM 132 C GLY A 25 -6.297 -8.287 3.290 1.00 0.00 C ATOM 133 O GLY A 25 -6.659 -7.131 3.063 1.00 0.00 O ATOM 0 H GLY A 25 -5.409 -11.194 2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.364 -8.858 1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.253 -9.925 2.297 1.00 0.00 H new ATOM 137 N THR A 26 -5.834 -8.685 4.474 1.00 0.00 N ATOM 138 CA THR A 26 -5.725 -7.767 5.599 1.00 0.00 C ATOM 139 C THR A 26 -4.856 -6.578 5.215 1.00 0.00 C ATOM 140 O THR A 26 -5.190 -5.426 5.500 1.00 0.00 O ATOM 141 CB THR A 26 -5.131 -8.481 6.815 1.00 0.00 C ATOM 142 OG1 THR A 26 -5.524 -9.842 6.837 1.00 0.00 O ATOM 143 CG2 THR A 26 -5.544 -7.864 8.132 1.00 0.00 C ATOM 0 H THR A 26 -5.529 -9.637 4.676 1.00 0.00 H new ATOM 0 HA THR A 26 -6.722 -7.411 5.859 1.00 0.00 H new ATOM 0 HB THR A 26 -4.051 -8.382 6.709 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.133 -10.283 7.620 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.088 -8.418 8.952 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.213 -6.826 8.167 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.629 -7.902 8.227 1.00 0.00 H new ATOM 151 N LEU A 27 -3.744 -6.863 4.545 1.00 0.00 N ATOM 152 CA LEU A 27 -2.842 -5.810 4.101 1.00 0.00 C ATOM 153 C LEU A 27 -3.553 -4.913 3.102 1.00 0.00 C ATOM 154 O LEU A 27 -3.412 -3.691 3.141 1.00 0.00 O ATOM 155 CB LEU A 27 -1.580 -6.408 3.476 1.00 0.00 C ATOM 156 CG LEU A 27 -0.326 -5.541 3.595 1.00 0.00 C ATOM 157 CD1 LEU A 27 -0.588 -4.145 3.050 1.00 0.00 C ATOM 158 CD2 LEU A 27 0.137 -5.475 5.042 1.00 0.00 C ATOM 0 H LEU A 27 -3.448 -7.808 4.300 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.544 -5.216 4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.383 -7.372 3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.772 -6.600 2.420 1.00 0.00 H new ATOM 0 HG LEU A 27 0.467 -5.995 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.316 -3.543 3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.873 -4.212 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.395 -3.679 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.030 -4.854 5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.652 -5.043 5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.365 -6.480 5.397 1.00 0.00 H new ATOM 170 N LYS A 28 -4.341 -5.524 2.219 1.00 0.00 N ATOM 171 CA LYS A 28 -5.098 -4.767 1.232 1.00 0.00 C ATOM 172 C LYS A 28 -5.930 -3.706 1.937 1.00 0.00 C ATOM 173 O LYS A 28 -6.081 -2.585 1.449 1.00 0.00 O ATOM 174 CB LYS A 28 -6.006 -5.695 0.420 1.00 0.00 C ATOM 175 CG LYS A 28 -6.661 -5.016 -0.771 1.00 0.00 C ATOM 176 CD LYS A 28 -5.907 -5.303 -2.061 1.00 0.00 C ATOM 177 CE LYS A 28 -6.858 -5.607 -3.208 1.00 0.00 C ATOM 178 NZ LYS A 28 -6.211 -5.410 -4.534 1.00 0.00 N ATOM 0 H LYS A 28 -4.470 -6.535 2.169 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.402 -4.286 0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.421 -6.544 0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.783 -6.093 1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.691 -5.360 -0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.699 -3.940 -0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.287 -4.445 -2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.235 -6.148 -1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.209 -6.635 -3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.735 -4.964 -3.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.710 -4.662 -5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.218 -5.133 -4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.252 -6.297 -5.076 1.00 0.00 H new ATOM 192 N LYS A 29 -6.445 -4.068 3.110 1.00 0.00 N ATOM 193 CA LYS A 29 -7.237 -3.145 3.908 1.00 0.00 C ATOM 194 C LYS A 29 -6.353 -2.011 4.408 1.00 0.00 C ATOM 195 O LYS A 29 -6.741 -0.842 4.371 1.00 0.00 O ATOM 196 CB LYS A 29 -7.883 -3.871 5.091 1.00 0.00 C ATOM 197 CG LYS A 29 -9.255 -4.445 4.775 1.00 0.00 C ATOM 198 CD LYS A 29 -9.196 -5.951 4.568 1.00 0.00 C ATOM 199 CE LYS A 29 -9.827 -6.701 5.732 1.00 0.00 C ATOM 200 NZ LYS A 29 -8.944 -6.714 6.932 1.00 0.00 N ATOM 0 H LYS A 29 -6.327 -4.992 3.525 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.031 -2.734 3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.226 -4.678 5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.972 -3.178 5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.943 -4.215 5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.652 -3.969 3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.711 -6.212 3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.158 -6.263 4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.780 -6.238 5.988 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.042 -7.726 5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.554 -7.669 7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.166 -6.037 6.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.495 -6.445 7.772 1.00 0.00 H new ATOM 214 N ARG A 30 -5.147 -2.360 4.858 1.00 0.00 N ATOM 215 CA ARG A 30 -4.203 -1.360 5.338 1.00 0.00 C ATOM 216 C ARG A 30 -3.815 -0.425 4.198 1.00 0.00 C ATOM 217 O ARG A 30 -3.542 0.758 4.411 1.00 0.00 O ATOM 218 CB ARG A 30 -2.958 -2.037 5.919 1.00 0.00 C ATOM 219 CG ARG A 30 -2.800 -1.834 7.418 1.00 0.00 C ATOM 220 CD ARG A 30 -3.789 -2.681 8.202 1.00 0.00 C ATOM 221 NE ARG A 30 -3.249 -4.000 8.524 1.00 0.00 N ATOM 222 CZ ARG A 30 -3.734 -4.788 9.480 1.00 0.00 C ATOM 223 NH1 ARG A 30 -4.772 -4.396 10.209 1.00 0.00 N ATOM 224 NH2 ARG A 30 -3.181 -5.972 9.707 1.00 0.00 N ATOM 0 H ARG A 30 -4.806 -3.321 4.899 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.677 -0.777 6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.003 -3.105 5.708 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.074 -1.649 5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.783 -2.091 7.716 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.947 -0.782 7.661 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.057 -2.165 9.124 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.705 -2.796 7.623 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.452 -4.337 7.983 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.202 -3.487 10.037 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.140 -5.004 10.941 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.384 -6.278 9.149 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.553 -6.576 10.440 1.00 0.00 H new ATOM 238 N LEU A 31 -3.808 -0.967 2.982 1.00 0.00 N ATOM 239 CA LEU A 31 -3.471 -0.189 1.798 1.00 0.00 C ATOM 240 C LEU A 31 -4.497 0.920 1.588 1.00 0.00 C ATOM 241 O LEU A 31 -4.141 2.088 1.429 1.00 0.00 O ATOM 242 CB LEU A 31 -3.414 -1.098 0.567 1.00 0.00 C ATOM 243 CG LEU A 31 -2.121 -1.009 -0.245 1.00 0.00 C ATOM 244 CD1 LEU A 31 -0.912 -1.281 0.640 1.00 0.00 C ATOM 245 CD2 LEU A 31 -2.159 -1.978 -1.417 1.00 0.00 C ATOM 0 H LEU A 31 -4.033 -1.944 2.793 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.490 0.264 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.552 -2.130 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.252 -0.853 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.032 0.003 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.002 -1.213 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.876 -0.545 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.992 -2.280 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.231 -1.901 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.273 -2.996 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.001 -1.733 -2.065 1.00 0.00 H new ATOM 257 N ASP A 32 -5.772 0.545 1.601 1.00 0.00 N ATOM 258 CA ASP A 32 -6.852 1.508 1.425 1.00 0.00 C ATOM 259 C ASP A 32 -6.790 2.573 2.515 1.00 0.00 C ATOM 260 O ASP A 32 -7.098 3.741 2.277 1.00 0.00 O ATOM 261 CB ASP A 32 -8.210 0.800 1.456 1.00 0.00 C ATOM 262 CG ASP A 32 -8.968 0.948 0.150 1.00 0.00 C ATOM 263 OD1 ASP A 32 -9.541 2.032 -0.084 1.00 0.00 O ATOM 264 OD2 ASP A 32 -8.986 -0.021 -0.638 1.00 0.00 O ATOM 0 H ASP A 32 -6.082 -0.418 1.731 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.733 1.990 0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.060 -0.259 1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.810 1.207 2.270 1.00 0.00 H new ATOM 269 N LYS A 33 -6.374 2.159 3.708 1.00 0.00 N ATOM 270 CA LYS A 33 -6.251 3.072 4.836 1.00 0.00 C ATOM 271 C LYS A 33 -5.253 4.178 4.515 1.00 0.00 C ATOM 272 O LYS A 33 -5.511 5.359 4.764 1.00 0.00 O ATOM 273 CB LYS A 33 -5.811 2.307 6.087 1.00 0.00 C ATOM 274 CG LYS A 33 -5.520 3.199 7.284 1.00 0.00 C ATOM 275 CD LYS A 33 -6.791 3.824 7.836 1.00 0.00 C ATOM 276 CE LYS A 33 -7.019 5.215 7.271 1.00 0.00 C ATOM 277 NZ LYS A 33 -8.171 5.898 7.922 1.00 0.00 N ATOM 0 H LYS A 33 -6.116 1.195 3.917 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.223 3.526 5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.590 1.595 6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.918 1.728 5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.032 2.615 8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.824 3.985 6.992 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.644 3.189 7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.729 3.877 8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.118 5.814 7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.197 5.146 6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.979 5.915 7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.436 5.384 8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.903 6.873 8.167 1.00 0.00 H new ATOM 291 N PHE A 34 -4.114 3.790 3.948 1.00 0.00 N ATOM 292 CA PHE A 34 -3.081 4.749 3.581 1.00 0.00 C ATOM 293 C PHE A 34 -3.626 5.749 2.569 1.00 0.00 C ATOM 294 O PHE A 34 -3.400 6.953 2.687 1.00 0.00 O ATOM 295 CB PHE A 34 -1.860 4.027 3.005 1.00 0.00 C ATOM 296 CG PHE A 34 -1.402 2.858 3.830 1.00 0.00 C ATOM 297 CD1 PHE A 34 -1.445 2.908 5.216 1.00 0.00 C ATOM 298 CD2 PHE A 34 -0.925 1.708 3.221 1.00 0.00 C ATOM 299 CE1 PHE A 34 -1.023 1.834 5.976 1.00 0.00 C ATOM 300 CE2 PHE A 34 -0.501 0.631 3.976 1.00 0.00 C ATOM 301 CZ PHE A 34 -0.550 0.694 5.356 1.00 0.00 C ATOM 0 H PHE A 34 -3.885 2.819 3.734 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.775 5.288 4.478 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.096 3.680 1.999 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.039 4.738 2.912 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.813 3.797 5.707 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.884 1.653 2.143 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.063 1.886 7.054 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.132 -0.259 3.488 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.219 -0.146 5.948 1.00 0.00 H new ATOM 311 N ASN A 35 -4.355 5.241 1.581 1.00 0.00 N ATOM 312 CA ASN A 35 -4.945 6.088 0.552 1.00 0.00 C ATOM 313 C ASN A 35 -5.847 7.145 1.180 1.00 0.00 C ATOM 314 O ASN A 35 -5.892 8.287 0.724 1.00 0.00 O ATOM 315 CB ASN A 35 -5.742 5.241 -0.441 1.00 0.00 C ATOM 316 CG ASN A 35 -4.856 4.333 -1.270 1.00 0.00 C ATOM 317 OD1 ASN A 35 -4.218 3.420 -0.745 1.00 0.00 O ATOM 318 ND2 ASN A 35 -4.810 4.581 -2.573 1.00 0.00 N ATOM 0 H ASN A 35 -4.551 4.246 1.471 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.139 6.591 0.018 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.469 4.637 0.102 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.305 5.898 -1.104 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.229 4.004 -3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.355 5.348 -2.966 1.00 0.00 H new ATOM 325 N GLU A 36 -6.557 6.758 2.236 1.00 0.00 N ATOM 326 CA GLU A 36 -7.450 7.675 2.933 1.00 0.00 C ATOM 327 C GLU A 36 -6.665 8.849 3.502 1.00 0.00 C ATOM 328 O GLU A 36 -6.962 10.010 3.214 1.00 0.00 O ATOM 329 CB GLU A 36 -8.192 6.947 4.056 1.00 0.00 C ATOM 330 CG GLU A 36 -9.184 5.910 3.556 1.00 0.00 C ATOM 331 CD GLU A 36 -9.805 5.107 4.683 1.00 0.00 C ATOM 332 OE1 GLU A 36 -10.125 5.704 5.732 1.00 0.00 O ATOM 333 OE2 GLU A 36 -9.970 3.880 4.515 1.00 0.00 O ATOM 0 H GLU A 36 -6.531 5.816 2.627 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.181 8.054 2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.464 6.459 4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.721 7.680 4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.973 6.409 2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.680 5.233 2.867 1.00 0.00 H new ATOM 340 N VAL A 37 -5.650 8.537 4.298 1.00 0.00 N ATOM 341 CA VAL A 37 -4.808 9.566 4.898 1.00 0.00 C ATOM 342 C VAL A 37 -4.178 10.434 3.815 1.00 0.00 C ATOM 343 O VAL A 37 -4.041 11.647 3.976 1.00 0.00 O ATOM 344 CB VAL A 37 -3.694 8.951 5.766 1.00 0.00 C ATOM 345 CG1 VAL A 37 -2.907 10.042 6.481 1.00 0.00 C ATOM 346 CG2 VAL A 37 -4.279 7.966 6.767 1.00 0.00 C ATOM 0 H VAL A 37 -5.390 7.582 4.543 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.447 10.177 5.536 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.010 8.409 5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.125 9.587 7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.454 10.706 5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.578 10.614 7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.477 7.542 7.371 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.987 8.483 7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.793 7.167 6.233 1.00 0.00 H new ATOM 356 N VAL A 38 -3.804 9.799 2.709 1.00 0.00 N ATOM 357 CA VAL A 38 -3.194 10.503 1.590 1.00 0.00 C ATOM 358 C VAL A 38 -4.196 11.443 0.929 1.00 0.00 C ATOM 359 O VAL A 38 -3.870 12.586 0.607 1.00 0.00 O ATOM 360 CB VAL A 38 -2.657 9.513 0.538 1.00 0.00 C ATOM 361 CG1 VAL A 38 -1.955 10.253 -0.591 1.00 0.00 C ATOM 362 CG2 VAL A 38 -1.719 8.508 1.187 1.00 0.00 C ATOM 0 H VAL A 38 -3.914 8.795 2.565 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.362 11.085 1.987 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.502 8.972 0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.584 9.534 -1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.658 10.931 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.119 10.824 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.348 7.816 0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.879 9.034 1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.256 7.952 1.955 1.00 0.00 H new ATOM 372 N SER A 39 -5.418 10.956 0.733 1.00 0.00 N ATOM 373 CA SER A 39 -6.469 11.757 0.116 1.00 0.00 C ATOM 374 C SER A 39 -6.675 13.059 0.882 1.00 0.00 C ATOM 375 O SER A 39 -6.882 14.116 0.287 1.00 0.00 O ATOM 376 CB SER A 39 -7.780 10.968 0.067 1.00 0.00 C ATOM 377 OG SER A 39 -7.913 10.274 -1.161 1.00 0.00 O ATOM 0 H SER A 39 -5.704 10.012 0.992 1.00 0.00 H new ATOM 0 HA SER A 39 -6.161 11.997 -0.902 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.812 10.259 0.894 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.622 11.648 0.197 1.00 0.00 H new ATOM 0 HG SER A 39 -8.758 9.777 -1.166 1.00 0.00 H new ATOM 383 N ALA A 40 -6.610 12.974 2.207 1.00 0.00 N ATOM 384 CA ALA A 40 -6.784 14.145 3.057 1.00 0.00 C ATOM 385 C ALA A 40 -5.703 15.187 2.782 1.00 0.00 C ATOM 386 O ALA A 40 -5.917 16.383 2.977 1.00 0.00 O ATOM 387 CB ALA A 40 -6.766 13.740 4.523 1.00 0.00 C ATOM 0 H ALA A 40 -6.438 12.106 2.715 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.751 14.591 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.897 14.624 5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.576 13.037 4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.812 13.268 4.758 1.00 0.00 H new ATOM 393 N LEU A 41 -4.540 14.725 2.330 1.00 0.00 N ATOM 394 CA LEU A 41 -3.426 15.619 2.030 1.00 0.00 C ATOM 395 C LEU A 41 -3.712 16.449 0.784 1.00 0.00 C ATOM 396 O LEU A 41 -3.390 17.636 0.732 1.00 0.00 O ATOM 397 CB LEU A 41 -2.138 14.816 1.832 1.00 0.00 C ATOM 398 CG LEU A 41 -1.723 13.944 3.019 1.00 0.00 C ATOM 399 CD1 LEU A 41 -0.344 13.348 2.782 1.00 0.00 C ATOM 400 CD2 LEU A 41 -1.741 14.750 4.308 1.00 0.00 C ATOM 0 H LEU A 41 -4.345 13.738 2.164 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.301 16.295 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.258 14.177 0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.327 15.510 1.611 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.441 13.129 3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.063 12.730 3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.362 12.735 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.383 14.151 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.443 14.112 5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.046 15.586 4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.747 15.131 4.485 1.00 0.00 H new ATOM 412 N LYS A 42 -4.311 15.815 -0.220 1.00 0.00 N ATOM 413 CA LYS A 42 -4.637 16.492 -1.473 1.00 0.00 C ATOM 414 C LYS A 42 -3.377 16.960 -2.198 1.00 0.00 C ATOM 415 O LYS A 42 -3.447 17.766 -3.126 1.00 0.00 O ATOM 416 CB LYS A 42 -5.553 17.685 -1.209 1.00 0.00 C ATOM 417 CG LYS A 42 -7.009 17.301 -0.995 1.00 0.00 C ATOM 418 CD LYS A 42 -7.369 17.280 0.482 1.00 0.00 C ATOM 419 CE LYS A 42 -8.871 17.167 0.688 1.00 0.00 C ATOM 420 NZ LYS A 42 -9.613 18.260 -0.002 1.00 0.00 N ATOM 0 H LYS A 42 -4.581 14.832 -0.191 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.152 15.775 -2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.194 18.220 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.488 18.375 -2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.653 18.008 -1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.195 16.319 -1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.870 16.441 0.967 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.003 18.189 0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.217 16.203 0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.094 17.195 1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.370 18.612 0.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.959 19.037 -0.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.029 17.895 -0.882 1.00 0.00 H new ATOM 434 N ASP A 43 -2.226 16.450 -1.770 1.00 0.00 N ATOM 435 CA ASP A 43 -0.952 16.814 -2.380 1.00 0.00 C ATOM 436 C ASP A 43 -0.060 15.586 -2.539 1.00 0.00 C ATOM 437 O ASP A 43 -0.245 14.581 -1.853 1.00 0.00 O ATOM 438 CB ASP A 43 -0.239 17.870 -1.532 1.00 0.00 C ATOM 439 CG ASP A 43 0.703 18.730 -2.351 1.00 0.00 C ATOM 440 OD1 ASP A 43 0.512 18.813 -3.581 1.00 0.00 O ATOM 441 OD2 ASP A 43 1.632 19.320 -1.760 1.00 0.00 O ATOM 0 H ASP A 43 -2.150 15.783 -1.002 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.153 17.229 -3.368 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.981 18.506 -1.050 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.322 17.376 -0.738 1.00 0.00 H new ATOM 446 N GLY A 44 0.905 15.672 -3.449 1.00 0.00 N ATOM 447 CA GLY A 44 1.807 14.557 -3.679 1.00 0.00 C ATOM 448 C GLY A 44 1.070 13.297 -4.091 1.00 0.00 C ATOM 449 O GLY A 44 1.511 12.187 -3.800 1.00 0.00 O ATOM 0 H GLY A 44 1.079 16.492 -4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.524 14.826 -4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.378 14.361 -2.771 1.00 0.00 H new ATOM 453 N LYS A 45 -0.057 13.474 -4.770 1.00 0.00 N ATOM 454 CA LYS A 45 -0.867 12.350 -5.225 1.00 0.00 C ATOM 455 C LYS A 45 -0.050 11.362 -6.061 1.00 0.00 C ATOM 456 O LYS A 45 -0.065 10.162 -5.793 1.00 0.00 O ATOM 457 CB LYS A 45 -2.061 12.854 -6.038 1.00 0.00 C ATOM 458 CG LYS A 45 -3.297 13.125 -5.195 1.00 0.00 C ATOM 459 CD LYS A 45 -3.885 11.838 -4.639 1.00 0.00 C ATOM 460 CE LYS A 45 -4.586 12.070 -3.308 1.00 0.00 C ATOM 461 NZ LYS A 45 -6.033 11.728 -3.375 1.00 0.00 N ATOM 0 H LYS A 45 -0.432 14.389 -5.019 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.224 11.824 -4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.777 13.769 -6.557 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.307 12.117 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.039 13.793 -4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.046 13.637 -5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.593 11.422 -5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.092 11.101 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.106 11.469 -2.536 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.473 13.114 -3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.590 12.485 -2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.320 11.626 -4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.202 10.833 -2.873 1.00 0.00 H new ATOM 475 N PRO A 46 0.660 11.843 -7.099 1.00 0.00 N ATOM 476 CA PRO A 46 1.460 10.978 -7.974 1.00 0.00 C ATOM 477 C PRO A 46 2.475 10.124 -7.216 1.00 0.00 C ATOM 478 O PRO A 46 2.565 8.916 -7.435 1.00 0.00 O ATOM 479 CB PRO A 46 2.179 11.959 -8.913 1.00 0.00 C ATOM 480 CG PRO A 46 2.015 13.305 -8.289 1.00 0.00 C ATOM 481 CD PRO A 46 0.728 13.251 -7.519 1.00 0.00 C ATOM 0 HA PRO A 46 0.827 10.257 -8.492 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.233 11.701 -9.017 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.745 11.935 -9.912 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.853 13.535 -7.632 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.982 14.086 -9.049 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.739 13.928 -6.665 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.125 13.531 -8.137 1.00 0.00 H new ATOM 489 N GLU A 47 3.250 10.751 -6.334 1.00 0.00 N ATOM 490 CA GLU A 47 4.265 10.029 -5.568 1.00 0.00 C ATOM 491 C GLU A 47 3.642 8.920 -4.722 1.00 0.00 C ATOM 492 O GLU A 47 4.092 7.773 -4.763 1.00 0.00 O ATOM 493 CB GLU A 47 5.067 10.990 -4.681 1.00 0.00 C ATOM 494 CG GLU A 47 4.211 11.964 -3.885 1.00 0.00 C ATOM 495 CD GLU A 47 5.042 12.958 -3.096 1.00 0.00 C ATOM 496 OE1 GLU A 47 6.282 12.955 -3.253 1.00 0.00 O ATOM 497 OE2 GLU A 47 4.452 13.739 -2.319 1.00 0.00 O ATOM 0 H GLU A 47 3.196 11.749 -6.132 1.00 0.00 H new ATOM 0 HA GLU A 47 4.945 9.566 -6.283 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.674 10.407 -3.988 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.755 11.557 -5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.553 12.505 -4.566 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.572 11.406 -3.201 1.00 0.00 H new ATOM 504 N VAL A 48 2.608 9.259 -3.963 1.00 0.00 N ATOM 505 CA VAL A 48 1.933 8.278 -3.118 1.00 0.00 C ATOM 506 C VAL A 48 1.236 7.228 -3.967 1.00 0.00 C ATOM 507 O VAL A 48 1.482 6.037 -3.820 1.00 0.00 O ATOM 508 CB VAL A 48 0.900 8.935 -2.178 1.00 0.00 C ATOM 509 CG1 VAL A 48 0.576 8.011 -1.012 1.00 0.00 C ATOM 510 CG2 VAL A 48 1.398 10.283 -1.668 1.00 0.00 C ATOM 0 H VAL A 48 2.219 10.200 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 48 2.703 7.808 -2.507 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.012 9.108 -2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.154 8.491 -0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.164 7.076 -1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.486 7.804 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.649 10.722 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.329 10.143 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.573 10.950 -2.513 1.00 0.00 H new ATOM 520 N ASN A 49 0.372 7.673 -4.868 1.00 0.00 N ATOM 521 CA ASN A 49 -0.352 6.758 -5.740 1.00 0.00 C ATOM 522 C ASN A 49 0.604 5.811 -6.463 1.00 0.00 C ATOM 523 O ASN A 49 0.241 4.684 -6.786 1.00 0.00 O ATOM 524 CB ASN A 49 -1.179 7.542 -6.761 1.00 0.00 C ATOM 525 CG ASN A 49 -2.429 8.147 -6.153 1.00 0.00 C ATOM 526 OD1 ASN A 49 -3.154 7.486 -5.411 1.00 0.00 O ATOM 527 ND2 ASN A 49 -2.685 9.412 -6.468 1.00 0.00 N ATOM 0 H ASN A 49 0.155 8.659 -5.015 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.020 6.161 -5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.566 8.336 -7.188 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.461 6.881 -7.580 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.512 9.874 -6.090 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.055 9.921 -7.088 1.00 0.00 H new ATOM 534 N ARG A 50 1.823 6.279 -6.719 1.00 0.00 N ATOM 535 CA ARG A 50 2.825 5.473 -7.416 1.00 0.00 C ATOM 536 C ARG A 50 3.350 4.336 -6.542 1.00 0.00 C ATOM 537 O ARG A 50 3.381 3.176 -6.965 1.00 0.00 O ATOM 538 CB ARG A 50 3.990 6.357 -7.870 1.00 0.00 C ATOM 539 CG ARG A 50 5.038 5.610 -8.680 1.00 0.00 C ATOM 540 CD ARG A 50 5.414 6.367 -9.944 1.00 0.00 C ATOM 541 NE ARG A 50 5.559 5.476 -11.093 1.00 0.00 N ATOM 542 CZ ARG A 50 4.533 4.991 -11.790 1.00 0.00 C ATOM 543 NH1 ARG A 50 3.288 5.310 -11.459 1.00 0.00 N ATOM 544 NH2 ARG A 50 4.752 4.186 -12.822 1.00 0.00 N ATOM 0 H ARG A 50 2.142 7.211 -6.455 1.00 0.00 H new ATOM 0 HA ARG A 50 2.340 5.029 -8.286 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.599 7.181 -8.468 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.465 6.797 -6.993 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.928 5.455 -8.070 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.658 4.623 -8.946 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.651 7.115 -10.159 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.349 6.903 -9.781 1.00 0.00 H new ATOM 0 HE ARG A 50 6.501 5.210 -11.378 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.113 5.929 -10.668 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.506 4.936 -11.996 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.707 3.938 -13.082 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.966 3.815 -13.355 1.00 0.00 H new ATOM 558 N GLN A 51 3.749 4.665 -5.321 1.00 0.00 N ATOM 559 CA GLN A 51 4.262 3.661 -4.397 1.00 0.00 C ATOM 560 C GLN A 51 3.117 2.785 -3.934 1.00 0.00 C ATOM 561 O GLN A 51 3.208 1.557 -3.924 1.00 0.00 O ATOM 562 CB GLN A 51 4.938 4.327 -3.198 1.00 0.00 C ATOM 563 CG GLN A 51 6.093 5.240 -3.579 1.00 0.00 C ATOM 564 CD GLN A 51 6.930 5.650 -2.383 1.00 0.00 C ATOM 565 OE1 GLN A 51 7.884 4.964 -2.014 1.00 0.00 O ATOM 566 NE2 GLN A 51 6.577 6.775 -1.772 1.00 0.00 N ATOM 0 H GLN A 51 3.728 5.614 -4.948 1.00 0.00 H new ATOM 0 HA GLN A 51 5.007 3.050 -4.907 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.195 4.905 -2.648 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.305 3.554 -2.523 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.728 4.733 -4.306 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.701 6.132 -4.066 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.779 7.312 -2.112 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.104 7.103 -0.962 1.00 0.00 H new ATOM 575 N ILE A 52 2.030 3.444 -3.576 1.00 0.00 N ATOM 576 CA ILE A 52 0.831 2.774 -3.132 1.00 0.00 C ATOM 577 C ILE A 52 0.338 1.799 -4.199 1.00 0.00 C ATOM 578 O ILE A 52 -0.247 0.762 -3.882 1.00 0.00 O ATOM 579 CB ILE A 52 -0.254 3.816 -2.805 1.00 0.00 C ATOM 580 CG1 ILE A 52 0.207 4.693 -1.637 1.00 0.00 C ATOM 581 CG2 ILE A 52 -1.571 3.139 -2.488 1.00 0.00 C ATOM 582 CD1 ILE A 52 -0.921 5.352 -0.867 1.00 0.00 C ATOM 0 H ILE A 52 1.958 4.461 -3.587 1.00 0.00 H new ATOM 0 HA ILE A 52 1.055 2.203 -2.231 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.410 4.450 -3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.793 4.083 -0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.871 5.468 -2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.323 3.895 -2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.895 2.553 -3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.444 2.482 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.506 5.954 -0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.495 5.991 -1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.574 4.585 -0.451 1.00 0.00 H new ATOM 594 N LYS A 53 0.599 2.122 -5.466 1.00 0.00 N ATOM 595 CA LYS A 53 0.203 1.253 -6.569 1.00 0.00 C ATOM 596 C LYS A 53 1.032 -0.021 -6.551 1.00 0.00 C ATOM 597 O LYS A 53 0.491 -1.126 -6.592 1.00 0.00 O ATOM 598 CB LYS A 53 0.374 1.959 -7.918 1.00 0.00 C ATOM 599 CG LYS A 53 -0.598 1.477 -8.983 1.00 0.00 C ATOM 600 CD LYS A 53 0.058 0.486 -9.934 1.00 0.00 C ATOM 601 CE LYS A 53 -0.251 0.814 -11.386 1.00 0.00 C ATOM 602 NZ LYS A 53 -1.288 -0.094 -11.951 1.00 0.00 N ATOM 0 H LYS A 53 1.080 2.975 -5.751 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.851 1.005 -6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.243 3.032 -7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.393 1.806 -8.272 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.459 1.009 -8.506 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.972 2.331 -9.548 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.137 0.494 -9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.289 -0.522 -9.706 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.593 1.846 -11.460 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.661 0.737 -11.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.471 0.162 -12.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.952 -1.077 -11.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.167 -0.002 -11.402 1.00 0.00 H new ATOM 616 N ASN A 54 2.352 0.137 -6.479 1.00 0.00 N ATOM 617 CA ASN A 54 3.255 -1.013 -6.448 1.00 0.00 C ATOM 618 C ASN A 54 2.823 -1.998 -5.369 1.00 0.00 C ATOM 619 O ASN A 54 2.880 -3.212 -5.566 1.00 0.00 O ATOM 620 CB ASN A 54 4.696 -0.562 -6.192 1.00 0.00 C ATOM 621 CG ASN A 54 5.087 0.643 -7.025 1.00 0.00 C ATOM 622 OD1 ASN A 54 4.679 0.776 -8.179 1.00 0.00 O ATOM 623 ND2 ASN A 54 5.886 1.528 -6.440 1.00 0.00 N ATOM 0 H ASN A 54 2.818 1.043 -6.441 1.00 0.00 H new ATOM 0 HA ASN A 54 3.210 -1.507 -7.419 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.815 -0.323 -5.135 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.375 -1.386 -6.411 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.186 2.359 -6.949 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.199 1.377 -5.481 1.00 0.00 H new ATOM 630 N LEU A 55 2.377 -1.470 -4.234 1.00 0.00 N ATOM 631 CA LEU A 55 1.923 -2.313 -3.137 1.00 0.00 C ATOM 632 C LEU A 55 0.602 -2.975 -3.499 1.00 0.00 C ATOM 633 O LEU A 55 0.414 -4.170 -3.274 1.00 0.00 O ATOM 634 CB LEU A 55 1.777 -1.496 -1.851 1.00 0.00 C ATOM 635 CG LEU A 55 2.979 -0.618 -1.501 1.00 0.00 C ATOM 636 CD1 LEU A 55 2.775 0.057 -0.154 1.00 0.00 C ATOM 637 CD2 LEU A 55 4.259 -1.441 -1.498 1.00 0.00 C ATOM 0 H LEU A 55 2.321 -0.468 -4.051 1.00 0.00 H new ATOM 0 HA LEU A 55 2.669 -3.089 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.896 -0.860 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.593 -2.180 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 55 3.070 0.157 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.641 0.677 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.882 0.680 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.656 -0.702 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.104 -0.799 -1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.177 -2.239 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.415 -1.876 -2.485 1.00 0.00 H new ATOM 649 N GLU A 56 -0.302 -2.199 -4.089 1.00 0.00 N ATOM 650 CA GLU A 56 -1.591 -2.731 -4.512 1.00 0.00 C ATOM 651 C GLU A 56 -1.358 -3.900 -5.458 1.00 0.00 C ATOM 652 O GLU A 56 -2.074 -4.902 -5.429 1.00 0.00 O ATOM 653 CB GLU A 56 -2.424 -1.645 -5.198 1.00 0.00 C ATOM 654 CG GLU A 56 -3.718 -1.320 -4.470 1.00 0.00 C ATOM 655 CD GLU A 56 -4.806 -2.342 -4.729 1.00 0.00 C ATOM 656 OE1 GLU A 56 -4.908 -2.823 -5.878 1.00 0.00 O ATOM 657 OE2 GLU A 56 -5.556 -2.663 -3.783 1.00 0.00 O ATOM 0 H GLU A 56 -0.167 -1.207 -4.284 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.144 -3.074 -3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.826 -0.738 -5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.659 -1.966 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.524 -1.265 -3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.068 -0.336 -4.781 1.00 0.00 H new ATOM 664 N ILE A 57 -0.323 -3.759 -6.280 1.00 0.00 N ATOM 665 CA ILE A 57 0.060 -4.789 -7.227 1.00 0.00 C ATOM 666 C ILE A 57 0.660 -5.981 -6.493 1.00 0.00 C ATOM 667 O ILE A 57 0.372 -7.133 -6.814 1.00 0.00 O ATOM 668 CB ILE A 57 1.087 -4.243 -8.234 1.00 0.00 C ATOM 669 CG1 ILE A 57 0.556 -2.968 -8.881 1.00 0.00 C ATOM 670 CG2 ILE A 57 1.415 -5.286 -9.289 1.00 0.00 C ATOM 671 CD1 ILE A 57 1.641 -1.986 -9.255 1.00 0.00 C ATOM 0 H ILE A 57 0.269 -2.929 -6.305 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.834 -5.105 -7.765 1.00 0.00 H new ATOM 0 HB ILE A 57 2.007 -4.007 -7.700 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.009 -3.232 -9.775 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.140 -2.485 -8.195 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.143 -4.878 -9.990 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.831 -6.171 -8.808 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.507 -5.558 -9.827 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.192 -1.103 -9.710 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.191 -1.693 -8.361 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.324 -2.452 -9.965 1.00 0.00 H new ATOM 683 N SER A 58 1.492 -5.689 -5.495 1.00 0.00 N ATOM 684 CA SER A 58 2.128 -6.735 -4.703 1.00 0.00 C ATOM 685 C SER A 58 1.076 -7.620 -4.043 1.00 0.00 C ATOM 686 O SER A 58 1.109 -8.845 -4.170 1.00 0.00 O ATOM 687 CB SER A 58 3.036 -6.118 -3.638 1.00 0.00 C ATOM 688 OG SER A 58 3.532 -7.107 -2.753 1.00 0.00 O ATOM 0 H SER A 58 1.740 -4.739 -5.218 1.00 0.00 H new ATOM 0 HA SER A 58 2.733 -7.350 -5.369 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.869 -5.606 -4.119 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.482 -5.367 -3.075 1.00 0.00 H new ATOM 0 HG SER A 58 4.332 -6.769 -2.300 1.00 0.00 H new ATOM 694 N ILE A 59 0.137 -6.989 -3.344 1.00 0.00 N ATOM 695 CA ILE A 59 -0.933 -7.712 -2.669 1.00 0.00 C ATOM 696 C ILE A 59 -1.782 -8.482 -3.677 1.00 0.00 C ATOM 697 O ILE A 59 -1.992 -9.692 -3.541 1.00 0.00 O ATOM 698 CB ILE A 59 -1.837 -6.751 -1.870 1.00 0.00 C ATOM 699 CG1 ILE A 59 -0.994 -5.896 -0.920 1.00 0.00 C ATOM 700 CG2 ILE A 59 -2.892 -7.524 -1.094 1.00 0.00 C ATOM 701 CD1 ILE A 59 -1.813 -4.959 -0.059 1.00 0.00 C ATOM 0 H ILE A 59 0.097 -5.976 -3.231 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.467 -8.414 -1.977 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.346 -6.093 -2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.411 -6.553 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.284 -5.311 -1.505 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.518 -6.827 -0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.510 -8.093 -1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.404 -8.207 -0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.149 -4.386 0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.376 -4.277 -0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.505 -5.538 0.553 1.00 0.00 H new ATOM 713 N ASP A 60 -2.259 -7.774 -4.698 1.00 0.00 N ATOM 714 CA ASP A 60 -3.074 -8.387 -5.740 1.00 0.00 C ATOM 715 C ASP A 60 -2.325 -9.548 -6.383 1.00 0.00 C ATOM 716 O ASP A 60 -2.923 -10.555 -6.766 1.00 0.00 O ATOM 717 CB ASP A 60 -3.446 -7.351 -6.802 1.00 0.00 C ATOM 718 CG ASP A 60 -4.787 -7.642 -7.450 1.00 0.00 C ATOM 719 OD1 ASP A 60 -5.826 -7.404 -6.799 1.00 0.00 O ATOM 720 OD2 ASP A 60 -4.796 -8.108 -8.609 1.00 0.00 O ATOM 0 H ASP A 60 -2.094 -6.775 -4.825 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.989 -8.768 -5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.473 -6.361 -6.346 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.672 -7.328 -7.569 1.00 0.00 H new ATOM 725 N ALA A 61 -1.009 -9.397 -6.493 1.00 0.00 N ATOM 726 CA ALA A 61 -0.168 -10.430 -7.082 1.00 0.00 C ATOM 727 C ALA A 61 -0.263 -11.726 -6.286 1.00 0.00 C ATOM 728 O ALA A 61 -0.470 -12.799 -6.853 1.00 0.00 O ATOM 729 CB ALA A 61 1.276 -9.958 -7.157 1.00 0.00 C ATOM 0 H ALA A 61 -0.503 -8.568 -6.181 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.525 -10.625 -8.093 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.892 -10.741 -7.599 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.334 -9.060 -7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.638 -9.735 -6.154 1.00 0.00 H new ATOM 735 N LEU A 62 -0.109 -11.621 -4.967 1.00 0.00 N ATOM 736 CA LEU A 62 -0.179 -12.789 -4.103 1.00 0.00 C ATOM 737 C LEU A 62 -1.491 -13.533 -4.296 1.00 0.00 C ATOM 738 O LEU A 62 -1.489 -14.717 -4.619 1.00 0.00 O ATOM 739 CB LEU A 62 -0.027 -12.371 -2.642 1.00 0.00 C ATOM 740 CG LEU A 62 1.401 -12.020 -2.229 1.00 0.00 C ATOM 741 CD1 LEU A 62 1.556 -10.517 -2.041 1.00 0.00 C ATOM 742 CD2 LEU A 62 1.797 -12.766 -0.959 1.00 0.00 C ATOM 0 H LEU A 62 0.064 -10.742 -4.479 1.00 0.00 H new ATOM 0 HA LEU A 62 0.637 -13.459 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.668 -11.509 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.387 -13.180 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 62 2.071 -12.333 -3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.581 -10.291 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.326 -10.008 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.872 -10.175 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.818 -12.500 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.120 -12.492 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.736 -13.840 -1.134 1.00 0.00 H new ATOM 754 N MET A 63 -2.610 -12.829 -4.108 1.00 0.00 N ATOM 755 CA MET A 63 -3.935 -13.447 -4.265 1.00 0.00 C ATOM 756 C MET A 63 -3.996 -14.284 -5.539 1.00 0.00 C ATOM 757 O MET A 63 -4.330 -15.468 -5.499 1.00 0.00 O ATOM 758 CB MET A 63 -5.077 -12.408 -4.285 1.00 0.00 C ATOM 759 CG MET A 63 -4.643 -10.951 -4.402 1.00 0.00 C ATOM 760 SD MET A 63 -4.987 -9.983 -2.913 1.00 0.00 S ATOM 761 CE MET A 63 -4.736 -11.195 -1.615 1.00 0.00 C ATOM 0 H MET A 63 -2.629 -11.842 -3.850 1.00 0.00 H new ATOM 0 HA MET A 63 -4.078 -14.087 -3.394 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.739 -12.639 -5.120 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.663 -12.521 -3.373 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.574 -10.913 -4.613 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.152 -10.494 -5.250 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.651 -10.687 -0.654 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.583 -11.881 -1.589 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.822 -11.755 -1.812 1.00 0.00 H new ATOM 771 N ALA A 64 -3.666 -13.666 -6.666 1.00 0.00 N ATOM 772 CA ALA A 64 -3.678 -14.367 -7.944 1.00 0.00 C ATOM 773 C ALA A 64 -2.694 -15.533 -7.935 1.00 0.00 C ATOM 774 O ALA A 64 -2.852 -16.496 -8.682 1.00 0.00 O ATOM 775 CB ALA A 64 -3.355 -13.405 -9.076 1.00 0.00 C ATOM 0 H ALA A 64 -3.388 -12.686 -6.722 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.678 -14.771 -8.103 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.367 -13.942 -10.024 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.099 -12.609 -9.100 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.367 -12.974 -8.916 1.00 0.00 H new ATOM 781 N LYS A 65 -1.681 -15.440 -7.075 1.00 0.00 N ATOM 782 CA LYS A 65 -0.676 -16.487 -6.958 1.00 0.00 C ATOM 783 C LYS A 65 -1.177 -17.611 -6.065 1.00 0.00 C ATOM 784 O LYS A 65 -0.802 -18.771 -6.229 1.00 0.00 O ATOM 785 CB LYS A 65 0.629 -15.913 -6.398 1.00 0.00 C ATOM 786 CG LYS A 65 1.685 -15.653 -7.459 1.00 0.00 C ATOM 787 CD LYS A 65 3.070 -15.523 -6.843 1.00 0.00 C ATOM 788 CE LYS A 65 3.502 -14.069 -6.742 1.00 0.00 C ATOM 789 NZ LYS A 65 4.659 -13.895 -5.818 1.00 0.00 N ATOM 0 H LYS A 65 -1.537 -14.647 -6.449 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.485 -16.891 -7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.412 -14.980 -5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.032 -16.604 -5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.683 -16.467 -8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.440 -14.741 -8.003 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.071 -15.974 -5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.790 -16.076 -7.445 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.770 -13.700 -7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.665 -13.465 -6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.353 -13.371 -4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.020 -14.828 -5.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.412 -13.364 -6.301 1.00 0.00 H new ATOM 803 N ILE A 66 -2.025 -17.253 -5.110 1.00 0.00 N ATOM 804 CA ILE A 66 -2.576 -18.223 -4.177 1.00 0.00 C ATOM 805 C ILE A 66 -3.598 -19.120 -4.863 1.00 0.00 C ATOM 806 O ILE A 66 -3.737 -20.295 -4.527 1.00 0.00 O ATOM 807 CB ILE A 66 -3.245 -17.551 -2.961 1.00 0.00 C ATOM 808 CG1 ILE A 66 -2.610 -16.195 -2.665 1.00 0.00 C ATOM 809 CG2 ILE A 66 -3.149 -18.452 -1.747 1.00 0.00 C ATOM 810 CD1 ILE A 66 -1.113 -16.248 -2.440 1.00 0.00 C ATOM 0 H ILE A 66 -2.346 -16.296 -4.962 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.734 -18.819 -3.825 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.296 -17.387 -3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.818 -15.520 -3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.084 -15.769 -1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.625 -17.966 -0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.652 -19.396 -1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.101 -18.642 -1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.740 -15.244 -2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.895 -16.896 -1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.625 -16.642 -3.331 1.00 0.00 H new ATOM 822 N LYS A 67 -4.321 -18.547 -5.819 1.00 0.00 N ATOM 823 CA LYS A 67 -5.348 -19.284 -6.547 1.00 0.00 C ATOM 824 C LYS A 67 -4.787 -19.974 -7.789 1.00 0.00 C ATOM 825 O LYS A 67 -5.358 -20.953 -8.271 1.00 0.00 O ATOM 826 CB LYS A 67 -6.484 -18.342 -6.951 1.00 0.00 C ATOM 827 CG LYS A 67 -7.009 -17.494 -5.803 1.00 0.00 C ATOM 828 CD LYS A 67 -8.301 -18.061 -5.234 1.00 0.00 C ATOM 829 CE LYS A 67 -9.358 -16.981 -5.064 1.00 0.00 C ATOM 830 NZ LYS A 67 -10.557 -17.488 -4.343 1.00 0.00 N ATOM 0 H LYS A 67 -4.215 -17.575 -6.108 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.728 -20.057 -5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.134 -17.685 -7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.304 -18.931 -7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.257 -17.440 -5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.180 -16.475 -6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.679 -18.841 -5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.100 -18.530 -4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.933 -16.140 -4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.655 -16.606 -6.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.254 -16.722 -4.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.978 -18.274 -4.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.278 -17.823 -3.399 1.00 0.00 H new ATOM 844 N SER A 68 -3.677 -19.461 -8.320 1.00 0.00 N ATOM 845 CA SER A 68 -3.075 -20.046 -9.515 1.00 0.00 C ATOM 846 C SER A 68 -1.694 -20.629 -9.238 1.00 0.00 C ATOM 847 O SER A 68 -0.911 -20.855 -10.160 1.00 0.00 O ATOM 848 CB SER A 68 -2.987 -19.004 -10.630 1.00 0.00 C ATOM 849 OG SER A 68 -4.276 -18.668 -11.118 1.00 0.00 O ATOM 0 H SER A 68 -3.182 -18.651 -7.946 1.00 0.00 H new ATOM 0 HA SER A 68 -3.720 -20.865 -9.832 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.491 -18.108 -10.256 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.375 -19.390 -11.445 1.00 0.00 H new ATOM 0 HG SER A 68 -4.192 -17.999 -11.829 1.00 0.00 H new ATOM 855 N THR A 69 -1.407 -20.886 -7.970 1.00 0.00 N ATOM 856 CA THR A 69 -0.122 -21.463 -7.573 1.00 0.00 C ATOM 857 C THR A 69 -0.204 -22.035 -6.160 1.00 0.00 C ATOM 858 O THR A 69 -1.150 -21.759 -5.421 1.00 0.00 O ATOM 859 CB THR A 69 1.020 -20.430 -7.649 1.00 0.00 C ATOM 860 OG1 THR A 69 1.323 -19.909 -6.366 1.00 0.00 O ATOM 861 CG2 THR A 69 0.737 -19.250 -8.560 1.00 0.00 C ATOM 0 H THR A 69 -2.045 -20.705 -7.195 1.00 0.00 H new ATOM 0 HA THR A 69 0.100 -22.265 -8.277 1.00 0.00 H new ATOM 0 HB THR A 69 1.859 -20.988 -8.065 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.503 -19.573 -5.948 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.591 -18.573 -8.555 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.563 -19.607 -9.575 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.147 -18.721 -8.206 1.00 0.00 H new ATOM 869 N MET A 70 0.796 -22.826 -5.789 1.00 0.00 N ATOM 870 CA MET A 70 0.841 -23.432 -4.464 1.00 0.00 C ATOM 871 C MET A 70 1.907 -22.760 -3.603 1.00 0.00 C ATOM 872 O MET A 70 2.669 -23.428 -2.905 1.00 0.00 O ATOM 873 CB MET A 70 1.124 -24.931 -4.573 1.00 0.00 C ATOM 874 CG MET A 70 0.340 -25.772 -3.578 1.00 0.00 C ATOM 875 SD MET A 70 -1.370 -26.034 -4.086 1.00 0.00 S ATOM 876 CE MET A 70 -1.446 -27.823 -4.107 1.00 0.00 C ATOM 0 H MET A 70 1.587 -23.063 -6.388 1.00 0.00 H new ATOM 0 HA MET A 70 -0.130 -23.291 -3.990 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.888 -25.264 -5.584 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.190 -25.103 -4.421 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.831 -26.738 -3.458 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.355 -25.283 -2.604 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.445 -28.141 -4.404 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.716 -28.210 -4.818 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.223 -28.208 -3.112 1.00 0.00 H new ATOM 886 N MET A 71 1.953 -21.432 -3.661 1.00 0.00 N ATOM 887 CA MET A 71 2.924 -20.662 -2.891 1.00 0.00 C ATOM 888 C MET A 71 2.862 -21.021 -1.410 1.00 0.00 C ATOM 889 O MET A 71 1.786 -21.254 -0.861 1.00 0.00 O ATOM 890 CB MET A 71 2.674 -19.163 -3.071 1.00 0.00 C ATOM 891 CG MET A 71 3.416 -18.560 -4.253 1.00 0.00 C ATOM 892 SD MET A 71 4.805 -17.524 -3.750 1.00 0.00 S ATOM 893 CE MET A 71 3.996 -16.403 -2.612 1.00 0.00 C ATOM 0 H MET A 71 1.328 -20.866 -4.235 1.00 0.00 H new ATOM 0 HA MET A 71 3.918 -20.909 -3.263 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.605 -18.994 -3.199 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.972 -18.642 -2.161 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.780 -19.362 -4.895 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.722 -17.966 -4.847 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.644 -15.548 -2.421 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.058 -16.058 -3.047 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.793 -16.920 -1.674 1.00 0.00 H new ATOM 903 N THR A 72 4.026 -21.063 -0.770 1.00 0.00 N ATOM 904 CA THR A 72 4.108 -21.394 0.647 1.00 0.00 C ATOM 905 C THR A 72 3.744 -20.188 1.506 1.00 0.00 C ATOM 906 O THR A 72 3.983 -19.044 1.119 1.00 0.00 O ATOM 907 CB THR A 72 5.516 -21.875 0.997 1.00 0.00 C ATOM 908 OG1 THR A 72 6.011 -22.749 0.000 1.00 0.00 O ATOM 909 CG2 THR A 72 5.588 -22.602 2.323 1.00 0.00 C ATOM 0 H THR A 72 4.926 -20.872 -1.211 1.00 0.00 H new ATOM 0 HA THR A 72 3.396 -22.194 0.852 1.00 0.00 H new ATOM 0 HB THR A 72 6.121 -20.971 1.064 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.914 -23.044 0.242 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.615 -22.916 2.510 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.261 -21.936 3.121 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.940 -23.478 2.293 1.00 0.00 H new ATOM 917 N ARG A 73 3.168 -20.452 2.675 1.00 0.00 N ATOM 918 CA ARG A 73 2.777 -19.384 3.588 1.00 0.00 C ATOM 919 C ARG A 73 3.986 -18.539 3.974 1.00 0.00 C ATOM 920 O ARG A 73 3.864 -17.338 4.221 1.00 0.00 O ATOM 921 CB ARG A 73 2.125 -19.970 4.842 1.00 0.00 C ATOM 922 CG ARG A 73 2.953 -21.059 5.507 1.00 0.00 C ATOM 923 CD ARG A 73 3.581 -20.573 6.803 1.00 0.00 C ATOM 924 NE ARG A 73 3.891 -21.676 7.709 1.00 0.00 N ATOM 925 CZ ARG A 73 4.108 -21.526 9.015 1.00 0.00 C ATOM 926 NH1 ARG A 73 4.050 -20.321 9.570 1.00 0.00 N ATOM 927 NH2 ARG A 73 4.381 -22.582 9.768 1.00 0.00 N ATOM 0 H ARG A 73 2.962 -21.393 3.011 1.00 0.00 H new ATOM 0 HA ARG A 73 2.055 -18.746 3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.951 -19.168 5.560 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.149 -20.378 4.577 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.321 -21.924 5.710 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.736 -21.389 4.824 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.494 -20.021 6.579 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.901 -19.878 7.297 1.00 0.00 H new ATOM 0 HE ARG A 73 3.945 -22.617 7.319 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.838 -19.505 8.996 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.217 -20.212 10.570 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.425 -23.510 9.348 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.547 -22.466 10.768 1.00 0.00 H new ATOM 941 N GLU A 74 5.156 -19.171 4.018 1.00 0.00 N ATOM 942 CA GLU A 74 6.388 -18.475 4.365 1.00 0.00 C ATOM 943 C GLU A 74 6.650 -17.336 3.386 1.00 0.00 C ATOM 944 O GLU A 74 6.986 -16.221 3.790 1.00 0.00 O ATOM 945 CB GLU A 74 7.569 -19.450 4.366 1.00 0.00 C ATOM 946 CG GLU A 74 7.910 -19.990 5.745 1.00 0.00 C ATOM 947 CD GLU A 74 9.035 -21.006 5.710 1.00 0.00 C ATOM 948 OE1 GLU A 74 9.998 -20.801 4.941 1.00 0.00 O ATOM 949 OE2 GLU A 74 8.952 -22.008 6.452 1.00 0.00 O ATOM 0 H GLU A 74 5.275 -20.164 3.817 1.00 0.00 H new ATOM 0 HA GLU A 74 6.277 -18.057 5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.340 -20.285 3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.445 -18.948 3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.192 -19.163 6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.023 -20.450 6.181 1.00 0.00 H new ATOM 956 N GLN A 75 6.487 -17.624 2.099 1.00 0.00 N ATOM 957 CA GLN A 75 6.696 -16.623 1.062 1.00 0.00 C ATOM 958 C GLN A 75 5.716 -15.467 1.233 1.00 0.00 C ATOM 959 O GLN A 75 6.044 -14.312 0.962 1.00 0.00 O ATOM 960 CB GLN A 75 6.534 -17.251 -0.325 1.00 0.00 C ATOM 961 CG GLN A 75 7.763 -17.102 -1.207 1.00 0.00 C ATOM 962 CD GLN A 75 8.560 -18.386 -1.319 1.00 0.00 C ATOM 963 OE1 GLN A 75 8.046 -19.413 -1.764 1.00 0.00 O ATOM 964 NE2 GLN A 75 9.825 -18.336 -0.914 1.00 0.00 N ATOM 0 H GLN A 75 6.211 -18.542 1.750 1.00 0.00 H new ATOM 0 HA GLN A 75 7.711 -16.237 1.155 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.305 -18.311 -0.211 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.681 -16.793 -0.825 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.455 -16.782 -2.202 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.402 -16.316 -0.804 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.210 -17.464 -0.552 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.410 -19.170 -0.965 1.00 0.00 H new ATOM 973 N ILE A 76 4.511 -15.792 1.694 1.00 0.00 N ATOM 974 CA ILE A 76 3.478 -14.788 1.912 1.00 0.00 C ATOM 975 C ILE A 76 3.817 -13.918 3.118 1.00 0.00 C ATOM 976 O ILE A 76 3.511 -12.726 3.143 1.00 0.00 O ATOM 977 CB ILE A 76 2.098 -15.435 2.135 1.00 0.00 C ATOM 978 CG1 ILE A 76 1.810 -16.472 1.046 1.00 0.00 C ATOM 979 CG2 ILE A 76 1.012 -14.370 2.162 1.00 0.00 C ATOM 980 CD1 ILE A 76 1.668 -15.874 -0.336 1.00 0.00 C ATOM 0 H ILE A 76 4.227 -16.745 1.924 1.00 0.00 H new ATOM 0 HA ILE A 76 3.438 -14.172 1.014 1.00 0.00 H new ATOM 0 HB ILE A 76 2.105 -15.944 3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.615 -17.207 1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.894 -17.006 1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.043 -14.843 2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.210 -13.669 2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.004 -13.835 1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.465 -16.667 -1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.845 -15.160 -0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.592 -15.364 -0.608 1.00 0.00 H new ATOM 992 N GLN A 77 4.453 -14.526 4.114 1.00 0.00 N ATOM 993 CA GLN A 77 4.837 -13.812 5.326 1.00 0.00 C ATOM 994 C GLN A 77 5.853 -12.718 5.011 1.00 0.00 C ATOM 995 O GLN A 77 5.670 -11.562 5.391 1.00 0.00 O ATOM 996 CB GLN A 77 5.417 -14.785 6.354 1.00 0.00 C ATOM 997 CG GLN A 77 4.950 -14.516 7.775 1.00 0.00 C ATOM 998 CD GLN A 77 3.446 -14.630 7.925 1.00 0.00 C ATOM 999 OE1 GLN A 77 2.822 -15.537 7.374 1.00 0.00 O ATOM 1000 NE2 GLN A 77 2.853 -13.707 8.675 1.00 0.00 N ATOM 0 H GLN A 77 4.713 -15.512 4.106 1.00 0.00 H new ATOM 0 HA GLN A 77 3.945 -13.345 5.743 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.141 -15.802 6.076 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.505 -14.730 6.321 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.433 -15.220 8.452 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.267 -13.517 8.075 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.408 -12.972 9.114 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.843 -13.733 8.812 1.00 0.00 H new ATOM 1009 N LYS A 78 6.921 -13.091 4.313 1.00 0.00 N ATOM 1010 CA LYS A 78 7.960 -12.137 3.949 1.00 0.00 C ATOM 1011 C LYS A 78 7.392 -11.029 3.077 1.00 0.00 C ATOM 1012 O LYS A 78 7.634 -9.849 3.329 1.00 0.00 O ATOM 1013 CB LYS A 78 9.111 -12.842 3.229 1.00 0.00 C ATOM 1014 CG LYS A 78 10.443 -12.123 3.359 1.00 0.00 C ATOM 1015 CD LYS A 78 11.059 -12.337 4.732 1.00 0.00 C ATOM 1016 CE LYS A 78 12.365 -11.575 4.882 1.00 0.00 C ATOM 1017 NZ LYS A 78 12.746 -11.402 6.311 1.00 0.00 N ATOM 0 H LYS A 78 7.088 -14.044 3.990 1.00 0.00 H new ATOM 0 HA LYS A 78 8.346 -11.691 4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.213 -13.852 3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.862 -12.939 2.172 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.128 -12.483 2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.301 -11.056 3.185 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.358 -12.013 5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.237 -13.401 4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.158 -12.107 4.357 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.271 -10.597 4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.642 -10.878 6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.001 -10.872 6.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.861 -12.335 6.755 1.00 0.00 H new ATOM 1031 N GLU A 79 6.618 -11.405 2.064 1.00 0.00 N ATOM 1032 CA GLU A 79 6.008 -10.413 1.189 1.00 0.00 C ATOM 1033 C GLU A 79 5.184 -9.453 2.026 1.00 0.00 C ATOM 1034 O GLU A 79 5.108 -8.258 1.735 1.00 0.00 O ATOM 1035 CB GLU A 79 5.133 -11.086 0.128 1.00 0.00 C ATOM 1036 CG GLU A 79 5.925 -11.723 -1.001 1.00 0.00 C ATOM 1037 CD GLU A 79 5.242 -11.574 -2.348 1.00 0.00 C ATOM 1038 OE1 GLU A 79 4.853 -10.438 -2.692 1.00 0.00 O ATOM 1039 OE2 GLU A 79 5.098 -12.592 -3.056 1.00 0.00 O ATOM 0 H GLU A 79 6.401 -12.374 1.832 1.00 0.00 H new ATOM 0 HA GLU A 79 6.793 -9.863 0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.520 -11.850 0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.451 -10.346 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.915 -11.269 -1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.070 -12.782 -0.786 1.00 0.00 H new ATOM 1046 N TYR A 80 4.603 -9.979 3.100 1.00 0.00 N ATOM 1047 CA TYR A 80 3.827 -9.162 4.012 1.00 0.00 C ATOM 1048 C TYR A 80 4.755 -8.148 4.660 1.00 0.00 C ATOM 1049 O TYR A 80 4.388 -6.993 4.868 1.00 0.00 O ATOM 1050 CB TYR A 80 3.158 -10.031 5.079 1.00 0.00 C ATOM 1051 CG TYR A 80 1.992 -9.356 5.767 1.00 0.00 C ATOM 1052 CD1 TYR A 80 2.191 -8.268 6.606 1.00 0.00 C ATOM 1053 CD2 TYR A 80 0.692 -9.809 5.576 1.00 0.00 C ATOM 1054 CE1 TYR A 80 1.127 -7.650 7.237 1.00 0.00 C ATOM 1055 CE2 TYR A 80 -0.375 -9.197 6.202 1.00 0.00 C ATOM 1056 CZ TYR A 80 -0.153 -8.118 7.030 1.00 0.00 C ATOM 1057 OH TYR A 80 -1.215 -7.504 7.657 1.00 0.00 O ATOM 0 H TYR A 80 4.658 -10.965 3.355 1.00 0.00 H new ATOM 0 HA TYR A 80 3.040 -8.646 3.462 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.811 -10.955 4.617 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.900 -10.308 5.828 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.193 -7.898 6.768 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.514 -10.654 4.927 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.298 -6.806 7.888 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.379 -9.562 6.044 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.017 -7.589 7.100 1.00 0.00 H new ATOM 1067 N ASP A 81 5.979 -8.591 4.955 1.00 0.00 N ATOM 1068 CA ASP A 81 6.976 -7.720 5.552 1.00 0.00 C ATOM 1069 C ASP A 81 7.437 -6.681 4.541 1.00 0.00 C ATOM 1070 O ASP A 81 7.664 -5.522 4.889 1.00 0.00 O ATOM 1071 CB ASP A 81 8.169 -8.532 6.058 1.00 0.00 C ATOM 1072 CG ASP A 81 8.924 -7.824 7.166 1.00 0.00 C ATOM 1073 OD1 ASP A 81 9.214 -6.618 7.010 1.00 0.00 O ATOM 1074 OD2 ASP A 81 9.225 -8.473 8.189 1.00 0.00 O ATOM 0 H ASP A 81 6.297 -9.546 4.788 1.00 0.00 H new ATOM 0 HA ASP A 81 6.523 -7.209 6.402 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.819 -9.498 6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.848 -8.730 5.229 1.00 0.00 H new ATOM 1079 N ALA A 82 7.559 -7.094 3.278 1.00 0.00 N ATOM 1080 CA ALA A 82 7.975 -6.176 2.229 1.00 0.00 C ATOM 1081 C ALA A 82 6.980 -5.030 2.120 1.00 0.00 C ATOM 1082 O ALA A 82 7.350 -3.891 1.831 1.00 0.00 O ATOM 1083 CB ALA A 82 8.104 -6.905 0.900 1.00 0.00 C ATOM 0 H ALA A 82 7.377 -8.047 2.964 1.00 0.00 H new ATOM 0 HA ALA A 82 8.953 -5.768 2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.416 -6.202 0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.847 -7.698 0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.142 -7.339 0.628 1.00 0.00 H new ATOM 1089 N LEU A 83 5.714 -5.343 2.377 1.00 0.00 N ATOM 1090 CA LEU A 83 4.659 -4.345 2.334 1.00 0.00 C ATOM 1091 C LEU A 83 4.690 -3.497 3.600 1.00 0.00 C ATOM 1092 O LEU A 83 4.342 -2.318 3.577 1.00 0.00 O ATOM 1093 CB LEU A 83 3.293 -5.016 2.181 1.00 0.00 C ATOM 1094 CG LEU A 83 3.180 -5.995 1.012 1.00 0.00 C ATOM 1095 CD1 LEU A 83 2.217 -7.123 1.352 1.00 0.00 C ATOM 1096 CD2 LEU A 83 2.730 -5.269 -0.246 1.00 0.00 C ATOM 0 H LEU A 83 5.397 -6.282 2.617 1.00 0.00 H new ATOM 0 HA LEU A 83 4.825 -3.699 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.061 -5.548 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.536 -4.241 2.061 1.00 0.00 H new ATOM 0 HG LEU A 83 4.163 -6.428 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.149 -7.810 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.580 -7.659 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.231 -6.709 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.654 -5.980 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.757 -4.810 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.456 -4.496 -0.499 1.00 0.00 H new ATOM 1108 N VAL A 84 5.118 -4.106 4.706 1.00 0.00 N ATOM 1109 CA VAL A 84 5.202 -3.399 5.977 1.00 0.00 C ATOM 1110 C VAL A 84 6.315 -2.357 5.943 1.00 0.00 C ATOM 1111 O VAL A 84 6.170 -1.263 6.486 1.00 0.00 O ATOM 1112 CB VAL A 84 5.452 -4.369 7.149 1.00 0.00 C ATOM 1113 CG1 VAL A 84 5.482 -3.619 8.473 1.00 0.00 C ATOM 1114 CG2 VAL A 84 4.393 -5.464 7.174 1.00 0.00 C ATOM 0 H VAL A 84 5.410 -5.083 4.744 1.00 0.00 H new ATOM 0 HA VAL A 84 4.243 -2.904 6.132 1.00 0.00 H new ATOM 0 HB VAL A 84 6.425 -4.838 7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.660 -4.323 9.286 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.281 -2.878 8.453 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.527 -3.118 8.629 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.587 -6.138 8.008 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.407 -5.014 7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.426 -6.024 6.239 1.00 0.00 H new ATOM 1124 N LYS A 85 7.424 -2.704 5.295 1.00 0.00 N ATOM 1125 CA LYS A 85 8.558 -1.794 5.187 1.00 0.00 C ATOM 1126 C LYS A 85 8.246 -0.655 4.223 1.00 0.00 C ATOM 1127 O LYS A 85 8.492 0.515 4.521 1.00 0.00 O ATOM 1128 CB LYS A 85 9.802 -2.551 4.718 1.00 0.00 C ATOM 1129 CG LYS A 85 11.097 -1.786 4.934 1.00 0.00 C ATOM 1130 CD LYS A 85 11.515 -1.798 6.396 1.00 0.00 C ATOM 1131 CE LYS A 85 12.251 -3.080 6.758 1.00 0.00 C ATOM 1132 NZ LYS A 85 13.588 -2.805 7.354 1.00 0.00 N ATOM 0 H LYS A 85 7.560 -3.606 4.839 1.00 0.00 H new ATOM 0 HA LYS A 85 8.751 -1.370 6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.859 -3.502 5.247 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.699 -2.782 3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.887 -2.226 4.325 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.973 -0.756 4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.156 -0.940 6.599 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.633 -1.693 7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.651 -3.656 7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.371 -3.694 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.056 -3.704 7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.170 -2.278 6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.473 -2.241 8.220 1.00 0.00 H new ATOM 1146 N SER A 86 7.703 -1.006 3.065 1.00 0.00 N ATOM 1147 CA SER A 86 7.356 -0.019 2.053 1.00 0.00 C ATOM 1148 C SER A 86 6.184 0.844 2.512 1.00 0.00 C ATOM 1149 O SER A 86 6.136 2.042 2.230 1.00 0.00 O ATOM 1150 CB SER A 86 7.008 -0.710 0.733 1.00 0.00 C ATOM 1151 OG SER A 86 8.150 -0.829 -0.096 1.00 0.00 O ATOM 0 H SER A 86 7.493 -1.969 2.803 1.00 0.00 H new ATOM 0 HA SER A 86 8.221 0.626 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.596 -1.699 0.934 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.236 -0.142 0.214 1.00 0.00 H new ATOM 0 HG SER A 86 7.902 -1.275 -0.932 1.00 0.00 H new ATOM 1157 N SER A 87 5.242 0.229 3.217 1.00 0.00 N ATOM 1158 CA SER A 87 4.071 0.944 3.708 1.00 0.00 C ATOM 1159 C SER A 87 4.450 1.918 4.818 1.00 0.00 C ATOM 1160 O SER A 87 4.099 3.095 4.765 1.00 0.00 O ATOM 1161 CB SER A 87 3.018 -0.039 4.218 1.00 0.00 C ATOM 1162 OG SER A 87 2.441 -0.769 3.149 1.00 0.00 O ATOM 0 H SER A 87 5.266 -0.761 3.461 1.00 0.00 H new ATOM 0 HA SER A 87 3.654 1.512 2.876 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.474 -0.728 4.929 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.239 0.503 4.754 1.00 0.00 H new ATOM 0 HG SER A 87 2.793 -1.684 3.150 1.00 0.00 H new ATOM 1168 N GLU A 88 5.171 1.426 5.821 1.00 0.00 N ATOM 1169 CA GLU A 88 5.591 2.266 6.940 1.00 0.00 C ATOM 1170 C GLU A 88 6.360 3.485 6.443 1.00 0.00 C ATOM 1171 O GLU A 88 6.151 4.602 6.917 1.00 0.00 O ATOM 1172 CB GLU A 88 6.444 1.464 7.928 1.00 0.00 C ATOM 1173 CG GLU A 88 7.797 1.050 7.376 1.00 0.00 C ATOM 1174 CD GLU A 88 8.645 0.319 8.399 1.00 0.00 C ATOM 1175 OE1 GLU A 88 8.252 -0.792 8.812 1.00 0.00 O ATOM 1176 OE2 GLU A 88 9.703 0.859 8.788 1.00 0.00 O ATOM 0 H GLU A 88 5.476 0.455 5.883 1.00 0.00 H new ATOM 0 HA GLU A 88 4.696 2.612 7.457 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.596 2.059 8.828 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.895 0.571 8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.650 0.409 6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.332 1.936 7.032 1.00 0.00 H new ATOM 1183 N ASP A 89 7.248 3.262 5.482 1.00 0.00 N ATOM 1184 CA ASP A 89 8.045 4.342 4.917 1.00 0.00 C ATOM 1185 C ASP A 89 7.183 5.259 4.054 1.00 0.00 C ATOM 1186 O ASP A 89 7.478 6.445 3.908 1.00 0.00 O ATOM 1187 CB ASP A 89 9.195 3.774 4.082 1.00 0.00 C ATOM 1188 CG ASP A 89 10.109 4.856 3.545 1.00 0.00 C ATOM 1189 OD1 ASP A 89 10.778 5.528 4.357 1.00 0.00 O ATOM 1190 OD2 ASP A 89 10.156 5.033 2.308 1.00 0.00 O ATOM 0 H ASP A 89 7.434 2.344 5.078 1.00 0.00 H new ATOM 0 HA ASP A 89 8.456 4.925 5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.775 3.082 4.692 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.787 3.201 3.249 1.00 0.00 H new ATOM 1195 N LEU A 90 6.121 4.701 3.479 1.00 0.00 N ATOM 1196 CA LEU A 90 5.223 5.471 2.626 1.00 0.00 C ATOM 1197 C LEU A 90 4.444 6.504 3.432 1.00 0.00 C ATOM 1198 O LEU A 90 4.413 7.682 3.078 1.00 0.00 O ATOM 1199 CB LEU A 90 4.258 4.533 1.896 1.00 0.00 C ATOM 1200 CG LEU A 90 3.162 5.230 1.086 1.00 0.00 C ATOM 1201 CD1 LEU A 90 3.097 4.663 -0.324 1.00 0.00 C ATOM 1202 CD2 LEU A 90 1.814 5.089 1.780 1.00 0.00 C ATOM 0 H LEU A 90 5.862 3.720 3.588 1.00 0.00 H new ATOM 0 HA LEU A 90 5.828 6.004 1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.834 3.895 1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.786 3.880 2.630 1.00 0.00 H new ATOM 0 HG LEU A 90 3.406 6.290 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.312 5.171 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.055 4.815 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.877 3.596 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.047 5.590 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.564 4.033 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.865 5.543 2.770 1.00 0.00 H new ATOM 1214 N LEU A 91 3.830 6.064 4.524 1.00 0.00 N ATOM 1215 CA LEU A 91 3.066 6.967 5.378 1.00 0.00 C ATOM 1216 C LEU A 91 3.992 8.005 5.983 1.00 0.00 C ATOM 1217 O LEU A 91 3.662 9.187 6.065 1.00 0.00 O ATOM 1218 CB LEU A 91 2.347 6.208 6.495 1.00 0.00 C ATOM 1219 CG LEU A 91 1.842 4.822 6.113 1.00 0.00 C ATOM 1220 CD1 LEU A 91 1.313 4.088 7.336 1.00 0.00 C ATOM 1221 CD2 LEU A 91 0.768 4.922 5.040 1.00 0.00 C ATOM 0 H LEU A 91 3.845 5.094 4.838 1.00 0.00 H new ATOM 0 HA LEU A 91 2.312 7.456 4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.026 6.110 7.342 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.501 6.806 6.833 1.00 0.00 H new ATOM 0 HG LEU A 91 2.678 4.251 5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.957 3.101 7.042 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.111 3.982 8.070 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.491 4.655 7.773 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.419 3.923 4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.068 5.512 5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.182 5.404 4.154 1.00 0.00 H new ATOM 1233 N SER A 92 5.162 7.544 6.401 1.00 0.00 N ATOM 1234 CA SER A 92 6.159 8.422 6.996 1.00 0.00 C ATOM 1235 C SER A 92 6.510 9.563 6.047 1.00 0.00 C ATOM 1236 O SER A 92 6.685 10.704 6.472 1.00 0.00 O ATOM 1237 CB SER A 92 7.419 7.631 7.351 1.00 0.00 C ATOM 1238 OG SER A 92 7.218 6.845 8.513 1.00 0.00 O ATOM 0 H SER A 92 5.444 6.566 6.339 1.00 0.00 H new ATOM 0 HA SER A 92 5.738 8.847 7.907 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.695 6.987 6.516 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.250 8.318 7.512 1.00 0.00 H new ATOM 0 HG SER A 92 6.855 5.971 8.258 1.00 0.00 H new ATOM 1244 N ALA A 93 6.610 9.247 4.759 1.00 0.00 N ATOM 1245 CA ALA A 93 6.942 10.251 3.754 1.00 0.00 C ATOM 1246 C ALA A 93 5.827 11.281 3.609 1.00 0.00 C ATOM 1247 O ALA A 93 6.063 12.484 3.728 1.00 0.00 O ATOM 1248 CB ALA A 93 7.225 9.582 2.417 1.00 0.00 C ATOM 0 H ALA A 93 6.467 8.308 4.388 1.00 0.00 H new ATOM 0 HA ALA A 93 7.838 10.776 4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.472 10.342 1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.064 8.894 2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.343 9.030 2.092 1.00 0.00 H new ATOM 1254 N LEU A 94 4.609 10.806 3.358 1.00 0.00 N ATOM 1255 CA LEU A 94 3.467 11.701 3.204 1.00 0.00 C ATOM 1256 C LEU A 94 3.188 12.451 4.502 1.00 0.00 C ATOM 1257 O LEU A 94 2.638 13.553 4.487 1.00 0.00 O ATOM 1258 CB LEU A 94 2.217 10.936 2.753 1.00 0.00 C ATOM 1259 CG LEU A 94 2.014 9.561 3.396 1.00 0.00 C ATOM 1260 CD1 LEU A 94 0.743 9.545 4.230 1.00 0.00 C ATOM 1261 CD2 LEU A 94 1.965 8.479 2.328 1.00 0.00 C ATOM 0 H LEU A 94 4.389 9.815 3.258 1.00 0.00 H new ATOM 0 HA LEU A 94 3.719 12.426 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.341 11.549 2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.262 10.808 1.671 1.00 0.00 H new ATOM 0 HG LEU A 94 2.859 9.359 4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.615 8.560 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.815 10.296 5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.113 9.767 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.820 7.508 2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.138 8.678 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.902 8.475 1.771 1.00 0.00 H new ATOM 1273 N GLN A 95 3.583 11.856 5.625 1.00 0.00 N ATOM 1274 CA GLN A 95 3.384 12.481 6.927 1.00 0.00 C ATOM 1275 C GLN A 95 4.291 13.697 7.069 1.00 0.00 C ATOM 1276 O GLN A 95 3.884 14.732 7.594 1.00 0.00 O ATOM 1277 CB GLN A 95 3.658 11.481 8.052 1.00 0.00 C ATOM 1278 CG GLN A 95 2.396 10.934 8.702 1.00 0.00 C ATOM 1279 CD GLN A 95 2.100 9.507 8.292 1.00 0.00 C ATOM 1280 OE1 GLN A 95 1.321 9.261 7.370 1.00 0.00 O ATOM 1281 NE2 GLN A 95 2.721 8.554 8.977 1.00 0.00 N ATOM 0 H GLN A 95 4.041 10.945 5.658 1.00 0.00 H new ATOM 0 HA GLN A 95 2.346 12.805 7.001 1.00 0.00 H new ATOM 0 HB2 GLN A 95 4.241 10.650 7.654 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.270 11.963 8.815 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.500 10.982 9.786 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.550 11.568 8.435 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.358 8.803 9.733 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.561 7.573 8.747 1.00 0.00 H new ATOM 1290 N LYS A 96 5.521 13.568 6.583 1.00 0.00 N ATOM 1291 CA LYS A 96 6.478 14.663 6.641 1.00 0.00 C ATOM 1292 C LYS A 96 5.986 15.829 5.799 1.00 0.00 C ATOM 1293 O LYS A 96 6.054 16.986 6.212 1.00 0.00 O ATOM 1294 CB LYS A 96 7.847 14.205 6.139 1.00 0.00 C ATOM 1295 CG LYS A 96 8.528 13.216 7.065 1.00 0.00 C ATOM 1296 CD LYS A 96 9.856 12.738 6.496 1.00 0.00 C ATOM 1297 CE LYS A 96 11.016 13.084 7.417 1.00 0.00 C ATOM 1298 NZ LYS A 96 11.998 11.969 7.516 1.00 0.00 N ATOM 0 H LYS A 96 5.876 12.718 6.146 1.00 0.00 H new ATOM 0 HA LYS A 96 6.574 14.984 7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.731 13.750 5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.490 15.076 6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.694 13.682 8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.873 12.360 7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.820 11.659 6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.018 13.192 5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.518 13.978 7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.633 13.320 8.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.773 12.244 8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.525 11.122 7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.383 11.760 6.573 1.00 0.00 H new ATOM 1312 N LYS A 97 5.483 15.506 4.613 1.00 0.00 N ATOM 1313 CA LYS A 97 4.968 16.521 3.697 1.00 0.00 C ATOM 1314 C LYS A 97 3.865 17.342 4.357 1.00 0.00 C ATOM 1315 O LYS A 97 3.868 18.570 4.288 1.00 0.00 O ATOM 1316 CB LYS A 97 4.430 15.872 2.419 1.00 0.00 C ATOM 1317 CG LYS A 97 5.305 14.752 1.885 1.00 0.00 C ATOM 1318 CD LYS A 97 5.144 14.587 0.381 1.00 0.00 C ATOM 1319 CE LYS A 97 6.177 13.629 -0.189 1.00 0.00 C ATOM 1320 NZ LYS A 97 7.069 14.296 -1.177 1.00 0.00 N ATOM 0 H LYS A 97 5.420 14.550 4.262 1.00 0.00 H new ATOM 0 HA LYS A 97 5.794 17.185 3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.432 15.479 2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.326 16.637 1.650 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.349 14.961 2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.047 13.818 2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.143 14.217 0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.240 15.558 -0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 97 6.778 13.218 0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.670 12.790 -0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 7.220 13.665 -1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.627 15.180 -1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 7.983 14.510 -0.730 1.00 0.00 H new ATOM 1334 N LYS A 98 2.924 16.653 4.993 1.00 0.00 N ATOM 1335 CA LYS A 98 1.813 17.321 5.661 1.00 0.00 C ATOM 1336 C LYS A 98 2.262 17.948 6.978 1.00 0.00 C ATOM 1337 O LYS A 98 1.701 18.950 7.422 1.00 0.00 O ATOM 1338 CB LYS A 98 0.660 16.343 5.905 1.00 0.00 C ATOM 1339 CG LYS A 98 1.062 15.085 6.659 1.00 0.00 C ATOM 1340 CD LYS A 98 0.961 15.279 8.163 1.00 0.00 C ATOM 1341 CE LYS A 98 0.367 14.059 8.845 1.00 0.00 C ATOM 1342 NZ LYS A 98 -0.577 14.435 9.934 1.00 0.00 N ATOM 0 H LYS A 98 2.908 15.635 5.060 1.00 0.00 H new ATOM 0 HA LYS A 98 1.461 18.118 5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.124 16.854 6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.231 16.057 4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.422 14.257 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.084 14.812 6.394 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.951 15.479 8.572 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.345 16.152 8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.154 13.449 8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.169 13.446 9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.960 13.574 10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.074 14.996 10.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.357 14.998 9.538 1.00 0.00 H new ATOM 1356 N GLN A 99 3.277 17.354 7.599 1.00 0.00 N ATOM 1357 CA GLN A 99 3.799 17.862 8.863 1.00 0.00 C ATOM 1358 C GLN A 99 4.544 19.176 8.651 1.00 0.00 C ATOM 1359 O GLN A 99 4.412 20.112 9.440 1.00 0.00 O ATOM 1360 CB GLN A 99 4.729 16.833 9.508 1.00 0.00 C ATOM 1361 CG GLN A 99 4.048 15.968 10.559 1.00 0.00 C ATOM 1362 CD GLN A 99 4.959 14.885 11.101 1.00 0.00 C ATOM 1363 OE1 GLN A 99 4.687 13.695 10.946 1.00 0.00 O ATOM 1364 NE2 GLN A 99 6.047 15.294 11.743 1.00 0.00 N ATOM 0 H GLN A 99 3.753 16.523 7.248 1.00 0.00 H new ATOM 0 HA GLN A 99 2.956 18.044 9.529 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.139 16.189 8.730 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.570 17.353 9.967 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.711 16.599 11.381 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.160 15.508 10.126 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.233 16.291 11.848 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.697 14.611 12.131 1.00 0.00 H new ATOM 1373 N GLN A 100 5.331 19.239 7.581 1.00 0.00 N ATOM 1374 CA GLN A 100 6.101 20.436 7.263 1.00 0.00 C ATOM 1375 C GLN A 100 5.218 21.504 6.627 1.00 0.00 C ATOM 1376 O GLN A 100 5.482 22.700 6.757 1.00 0.00 O ATOM 1377 CB GLN A 100 7.261 20.088 6.327 1.00 0.00 C ATOM 1378 CG GLN A 100 6.817 19.652 4.940 1.00 0.00 C ATOM 1379 CD GLN A 100 7.958 19.088 4.113 1.00 0.00 C ATOM 1380 OE1 GLN A 100 8.514 19.772 3.254 1.00 0.00 O ATOM 1381 NE2 GLN A 100 8.311 17.834 4.371 1.00 0.00 N ATOM 0 H GLN A 100 5.452 18.473 6.918 1.00 0.00 H new ATOM 0 HA GLN A 100 6.502 20.836 8.194 1.00 0.00 H new ATOM 0 HB2 GLN A 100 7.914 20.956 6.234 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.853 19.291 6.777 1.00 0.00 H new ATOM 0 HG2 GLN A 100 6.034 18.900 5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 100 6.381 20.503 4.418 1.00 0.00 H new ATOM 0 HE21 GLN A 100 7.822 17.305 5.093 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.072 17.400 3.848 1.00 0.00 H new ATOM 1390 N GLU A 101 4.170 21.068 5.933 1.00 0.00 N ATOM 1391 CA GLU A 101 3.251 21.990 5.274 1.00 0.00 C ATOM 1392 C GLU A 101 2.096 22.370 6.197 1.00 0.00 C ATOM 1393 O GLU A 101 0.935 22.363 5.790 1.00 0.00 O ATOM 1394 CB GLU A 101 2.710 21.366 3.986 1.00 0.00 C ATOM 1395 CG GLU A 101 3.775 21.138 2.927 1.00 0.00 C ATOM 1396 CD GLU A 101 4.444 22.426 2.486 1.00 0.00 C ATOM 1397 OE1 GLU A 101 5.322 22.920 3.223 1.00 0.00 O ATOM 1398 OE2 GLU A 101 4.086 22.941 1.406 1.00 0.00 O ATOM 0 H GLU A 101 3.937 20.082 5.813 1.00 0.00 H new ATOM 0 HA GLU A 101 3.802 22.898 5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.237 20.413 4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.935 22.013 3.576 1.00 0.00 H new ATOM 0 HG2 GLU A 101 4.530 20.456 3.317 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.324 20.653 2.062 1.00 0.00 H new ATOM 1405 N GLU A 102 2.425 22.704 7.441 1.00 0.00 N ATOM 1406 CA GLU A 102 1.421 23.091 8.424 1.00 0.00 C ATOM 1407 C GLU A 102 2.066 23.834 9.589 1.00 0.00 C ATOM 1408 O GLU A 102 1.808 25.019 9.804 1.00 0.00 O ATOM 1409 CB GLU A 102 0.678 21.857 8.939 1.00 0.00 C ATOM 1410 CG GLU A 102 -0.345 21.310 7.958 1.00 0.00 C ATOM 1411 CD GLU A 102 -1.550 20.702 8.649 1.00 0.00 C ATOM 1412 OE1 GLU A 102 -2.424 21.471 9.102 1.00 0.00 O ATOM 1413 OE2 GLU A 102 -1.621 19.459 8.736 1.00 0.00 O ATOM 0 H GLU A 102 3.383 22.714 7.792 1.00 0.00 H new ATOM 0 HA GLU A 102 0.708 23.757 7.939 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.403 21.076 9.168 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.175 22.109 9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.676 22.113 7.299 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.128 20.555 7.329 1.00 0.00 H new ATOM 1420 N GLU A 103 2.913 23.130 10.334 1.00 0.00 N ATOM 1421 CA GLU A 103 3.603 23.721 11.473 1.00 0.00 C ATOM 1422 C GLU A 103 5.036 24.084 11.104 1.00 0.00 C ATOM 1423 O GLU A 103 5.562 25.107 11.541 1.00 0.00 O ATOM 1424 CB GLU A 103 3.595 22.755 12.661 1.00 0.00 C ATOM 1425 CG GLU A 103 3.913 21.318 12.283 1.00 0.00 C ATOM 1426 CD GLU A 103 4.045 20.413 13.491 1.00 0.00 C ATOM 1427 OE1 GLU A 103 3.020 20.162 14.160 1.00 0.00 O ATOM 1428 OE2 GLU A 103 5.173 19.954 13.770 1.00 0.00 O ATOM 0 H GLU A 103 3.137 22.149 10.168 1.00 0.00 H new ATOM 0 HA GLU A 103 3.076 24.632 11.756 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.320 23.096 13.400 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.615 22.788 13.138 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.128 20.935 11.631 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.841 21.293 11.712 1.00 0.00 H new TER 1435 GLU A 103