USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 784 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 100 LYS NZ :NH3+ 147:sc= -4.09! (180deg=-7.81!) USER MOD Set 1.2: A 102 THR OG1 : rot 36:sc= 1.23 USER MOD Set 2.1: A 72 THR OG1 : rot 180:sc= 0.44 USER MOD Set 2.2: A 74 THR OG1 : rot 114:sc= 0.483 USER MOD Set 3.1: A 48 ASN : amide:sc= -1.08! C(o=-0.5!,f=-14!) USER MOD Set 3.2: A 51 LYS NZ :NH3+ -116:sc= 0.584! (180deg=0.631!) USER MOD Set 4.1: A 34 ASN : amide:sc= 0.866 K(o=2.9,f=-8.2!) USER MOD Set 4.2: A 35 LYS NZ :NH3+ -137:sc= 2.08 (180deg=-0.192) USER MOD Set 5.1: A 6 LYS NZ :NH3+ -111:sc= -2.62! (180deg=-4.33!) USER MOD Set 5.2: A 9 SER OG : rot -127:sc= 1.57 USER MOD Set 6.1: A 1 GLU N :NH3+ -140:sc= -7.01! (180deg=-12.9!) USER MOD Set 6.2: A 3 TYR OH : rot 21:sc= 0.973 USER MOD Set 6.3: A 24 LYS NZ :NH3+ -135:sc= 0.688! (180deg=-2.29!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0714 USER MOD Single : A 4 THR OG1 : rot 77:sc= -0.582 USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= -0.0548 (180deg=-0.58) USER MOD Single : A 20 LYS NZ :NH3+ -139:sc= -0.547 (180deg=-2.8!) USER MOD Single : A 22 THR OG1 : rot 66:sc= 0.25 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.374 USER MOD Single : A 33 ASN : amide:sc= -1.14 K(o=-1.1,f=-1.9) USER MOD Single : A 40 ASN : amide:sc= -18.3! C(o=-18!,f=-17!) USER MOD Single : A 52 SER OG : rot 69:sc= 1.1 USER MOD Single : A 57 LYS NZ :NH3+ 140:sc= -0.0716! (180deg=-5.41!) USER MOD Single : A 58 SER OG : rot -38:sc= 0.791 USER MOD Single : A 60 SER OG : rot 97:sc= 1.36 USER MOD Single : A 61 HIS : no HE2:sc= -0.355 K(o=-0.35,f=-4.3!) USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= 0.974 (180deg=0.557) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.397 K(o=-0.4,f=-2.6!) USER MOD Single : A 71 SER OG : rot 46:sc= -2.47 USER MOD Single : A 73 SER OG : rot 62:sc= 0.704 USER MOD Single : A 75 THR OG1 : rot 68:sc= 0.735! USER MOD Single : A 85 TYR OH : rot 65:sc= -3.57! USER MOD Single : A 86 THR OG1 : rot 72:sc= 0.526 USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0813 USER MOD Single : A 97 MET CE :methyl -150:sc= -1.46 (180deg=-3.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -4.197 -6.319 -15.969 1.00 0.00 N ATOM 2 CA GLU A 1 -3.533 -5.391 -16.921 1.00 0.00 C ATOM 3 C GLU A 1 -3.049 -4.130 -16.165 1.00 0.00 C ATOM 4 O GLU A 1 -3.175 -4.034 -14.964 1.00 0.00 O ATOM 5 CB GLU A 1 -4.544 -4.984 -18.058 1.00 0.00 C ATOM 6 CG GLU A 1 -4.967 -6.211 -18.959 1.00 0.00 C ATOM 7 CD GLU A 1 -5.433 -7.403 -18.172 1.00 0.00 C ATOM 8 OE1 GLU A 1 -4.549 -8.087 -17.720 1.00 0.00 O ATOM 9 OE2 GLU A 1 -6.614 -7.581 -18.013 1.00 0.00 O ATOM 0 H1 GLU A 1 -3.929 -7.298 -16.194 1.00 0.00 H new ATOM 0 H2 GLU A 1 -3.899 -6.093 -14.999 1.00 0.00 H new ATOM 0 H3 GLU A 1 -5.229 -6.216 -16.047 1.00 0.00 H new ATOM 0 HA GLU A 1 -2.674 -5.888 -17.372 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -5.434 -4.544 -17.608 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -4.091 -4.216 -18.685 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -5.764 -5.898 -19.634 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -4.120 -6.504 -19.580 1.00 0.00 H new ATOM 18 N THR A 2 -2.497 -3.208 -16.893 1.00 0.00 N ATOM 19 CA THR A 2 -1.957 -1.881 -16.415 1.00 0.00 C ATOM 20 C THR A 2 -3.057 -0.963 -15.862 1.00 0.00 C ATOM 21 O THR A 2 -3.367 0.068 -16.424 1.00 0.00 O ATOM 22 CB THR A 2 -1.277 -1.155 -17.586 1.00 0.00 C ATOM 23 OG1 THR A 2 -2.200 -1.423 -18.627 1.00 0.00 O ATOM 24 CG2 THR A 2 -0.082 -1.857 -18.162 1.00 0.00 C ATOM 0 H THR A 2 -2.384 -3.325 -17.900 1.00 0.00 H new ATOM 0 HA THR A 2 -1.252 -2.095 -15.612 1.00 0.00 H new ATOM 0 HB THR A 2 -1.011 -0.147 -17.268 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.887 -1.007 -19.457 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.327 -1.266 -18.982 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.676 -1.978 -17.389 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.380 -2.837 -18.535 1.00 0.00 H new ATOM 32 N TYR A 3 -3.636 -1.352 -14.765 1.00 0.00 N ATOM 33 CA TYR A 3 -4.723 -0.482 -14.173 1.00 0.00 C ATOM 34 C TYR A 3 -4.057 0.581 -13.246 1.00 0.00 C ATOM 35 O TYR A 3 -2.869 0.540 -13.020 1.00 0.00 O ATOM 36 CB TYR A 3 -5.715 -1.370 -13.346 1.00 0.00 C ATOM 37 CG TYR A 3 -6.092 -2.681 -14.053 1.00 0.00 C ATOM 38 CD1 TYR A 3 -6.694 -2.700 -15.296 1.00 0.00 C ATOM 39 CD2 TYR A 3 -5.828 -3.880 -13.429 1.00 0.00 C ATOM 40 CE1 TYR A 3 -7.024 -3.908 -15.898 1.00 0.00 C ATOM 41 CE2 TYR A 3 -6.160 -5.072 -14.037 1.00 0.00 C ATOM 42 CZ TYR A 3 -6.753 -5.095 -15.265 1.00 0.00 C ATOM 43 OH TYR A 3 -7.031 -6.326 -15.815 1.00 0.00 O ATOM 0 H TYR A 3 -3.422 -2.208 -14.253 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.279 0.017 -14.966 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -5.265 -1.602 -12.381 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.622 -0.799 -13.146 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.909 -1.771 -15.803 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.358 -3.887 -12.457 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.496 -3.913 -16.869 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -5.947 -6.003 -13.533 1.00 0.00 H new ATOM 0 HH TYR A 3 -7.116 -6.238 -16.787 1.00 0.00 H new ATOM 53 N THR A 4 -4.812 1.508 -12.726 1.00 0.00 N ATOM 54 CA THR A 4 -4.225 2.579 -11.811 1.00 0.00 C ATOM 55 C THR A 4 -4.680 2.608 -10.344 1.00 0.00 C ATOM 56 O THR A 4 -5.861 2.699 -10.064 1.00 0.00 O ATOM 57 CB THR A 4 -4.512 3.980 -12.423 1.00 0.00 C ATOM 58 OG1 THR A 4 -4.379 4.932 -11.377 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.960 4.162 -12.832 1.00 0.00 C ATOM 0 H THR A 4 -5.817 1.587 -12.884 1.00 0.00 H new ATOM 0 HA THR A 4 -3.169 2.313 -11.765 1.00 0.00 H new ATOM 0 HB THR A 4 -3.841 4.089 -13.275 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.429 5.087 -11.195 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.097 5.159 -13.252 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.224 3.414 -13.580 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.602 4.044 -11.959 1.00 0.00 H new ATOM 67 N VAL A 5 -3.740 2.523 -9.438 1.00 0.00 N ATOM 68 CA VAL A 5 -4.085 2.553 -7.964 1.00 0.00 C ATOM 69 C VAL A 5 -3.488 3.827 -7.301 1.00 0.00 C ATOM 70 O VAL A 5 -3.159 3.878 -6.132 1.00 0.00 O ATOM 71 CB VAL A 5 -3.520 1.239 -7.320 1.00 0.00 C ATOM 72 CG1 VAL A 5 -4.047 1.057 -5.872 1.00 0.00 C ATOM 73 CG2 VAL A 5 -4.051 0.033 -8.091 1.00 0.00 C ATOM 0 H VAL A 5 -2.745 2.434 -9.645 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.164 2.596 -7.812 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.433 1.311 -7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.640 0.138 -5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.737 1.906 -5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.135 0.999 -5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.661 -0.883 -7.647 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.140 0.023 -8.046 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.732 0.097 -9.131 1.00 0.00 H new ATOM 83 N LYS A 6 -3.364 4.825 -8.134 1.00 0.00 N ATOM 84 CA LYS A 6 -2.813 6.186 -7.777 1.00 0.00 C ATOM 85 C LYS A 6 -2.981 6.750 -6.330 1.00 0.00 C ATOM 86 O LYS A 6 -3.906 6.419 -5.608 1.00 0.00 O ATOM 87 CB LYS A 6 -3.429 7.155 -8.806 1.00 0.00 C ATOM 88 CG LYS A 6 -4.932 7.453 -8.529 1.00 0.00 C ATOM 89 CD LYS A 6 -5.776 7.156 -9.813 1.00 0.00 C ATOM 90 CE LYS A 6 -6.432 5.784 -9.716 1.00 0.00 C ATOM 91 NZ LYS A 6 -7.499 5.940 -8.711 1.00 0.00 N ATOM 0 H LYS A 6 -3.639 4.754 -9.114 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.729 6.076 -7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.870 8.091 -8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.325 6.731 -9.805 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.287 6.841 -7.700 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.057 8.495 -8.233 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.540 7.923 -9.938 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.135 7.198 -10.694 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.839 5.472 -10.678 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.713 5.023 -9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.250 5.405 -7.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.606 6.946 -8.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.395 5.579 -9.097 1.00 0.00 H new ATOM 105 N LEU A 7 -2.089 7.626 -5.946 1.00 0.00 N ATOM 106 CA LEU A 7 -2.156 8.228 -4.584 1.00 0.00 C ATOM 107 C LEU A 7 -2.636 9.698 -4.655 1.00 0.00 C ATOM 108 O LEU A 7 -2.102 10.575 -5.309 1.00 0.00 O ATOM 109 CB LEU A 7 -0.743 8.060 -3.944 1.00 0.00 C ATOM 110 CG LEU A 7 0.506 8.305 -4.799 1.00 0.00 C ATOM 111 CD1 LEU A 7 0.811 7.157 -5.784 1.00 0.00 C ATOM 112 CD2 LEU A 7 0.481 9.604 -5.513 1.00 0.00 C ATOM 0 H LEU A 7 -1.313 7.951 -6.522 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.890 7.726 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.690 8.732 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.679 7.044 -3.556 1.00 0.00 H new ATOM 0 HG LEU A 7 1.321 8.340 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.707 7.397 -6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.972 6.234 -5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.031 7.028 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.393 9.715 -6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.383 9.638 -6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.414 10.416 -4.789 1.00 0.00 H new ATOM 124 N GLY A 8 -3.699 9.923 -3.937 1.00 0.00 N ATOM 125 CA GLY A 8 -4.325 11.294 -3.898 1.00 0.00 C ATOM 126 C GLY A 8 -5.121 11.314 -5.185 1.00 0.00 C ATOM 127 O GLY A 8 -4.881 12.101 -6.071 1.00 0.00 O ATOM 0 H GLY A 8 -4.171 9.220 -3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.961 11.427 -3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.575 12.084 -3.870 1.00 0.00 H new ATOM 131 N SER A 9 -6.070 10.435 -5.275 1.00 0.00 N ATOM 132 CA SER A 9 -6.927 10.346 -6.521 1.00 0.00 C ATOM 133 C SER A 9 -8.109 11.325 -6.472 1.00 0.00 C ATOM 134 O SER A 9 -9.194 11.079 -6.961 1.00 0.00 O ATOM 135 CB SER A 9 -7.404 8.901 -6.613 1.00 0.00 C ATOM 136 OG SER A 9 -7.709 8.705 -7.991 1.00 0.00 O ATOM 0 H SER A 9 -6.304 9.763 -4.545 1.00 0.00 H new ATOM 0 HA SER A 9 -6.352 10.626 -7.404 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.633 8.208 -6.276 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.280 8.733 -5.986 1.00 0.00 H new ATOM 0 HG SER A 9 -8.622 8.359 -8.078 1.00 0.00 H new ATOM 142 N ASP A 10 -7.815 12.427 -5.854 1.00 0.00 N ATOM 143 CA ASP A 10 -8.767 13.547 -5.659 1.00 0.00 C ATOM 144 C ASP A 10 -8.120 14.955 -5.947 1.00 0.00 C ATOM 145 O ASP A 10 -7.516 15.233 -6.972 1.00 0.00 O ATOM 146 CB ASP A 10 -9.244 13.312 -4.191 1.00 0.00 C ATOM 147 CG ASP A 10 -8.078 13.506 -3.241 1.00 0.00 C ATOM 148 OD1 ASP A 10 -7.167 12.700 -3.236 1.00 0.00 O ATOM 149 OD2 ASP A 10 -8.168 14.503 -2.560 1.00 0.00 O ATOM 0 H ASP A 10 -6.895 12.605 -5.452 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.602 13.561 -6.359 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.047 14.006 -3.943 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.648 12.305 -4.086 1.00 0.00 H new ATOM 154 N LYS A 11 -8.274 15.815 -4.982 1.00 0.00 N ATOM 155 CA LYS A 11 -7.740 17.213 -5.034 1.00 0.00 C ATOM 156 C LYS A 11 -6.351 17.227 -4.355 1.00 0.00 C ATOM 157 O LYS A 11 -5.473 17.968 -4.767 1.00 0.00 O ATOM 158 CB LYS A 11 -8.773 18.136 -4.306 1.00 0.00 C ATOM 159 CG LYS A 11 -8.148 19.536 -3.979 1.00 0.00 C ATOM 160 CD LYS A 11 -7.641 20.272 -5.272 1.00 0.00 C ATOM 161 CE LYS A 11 -8.779 20.837 -6.109 1.00 0.00 C ATOM 162 NZ LYS A 11 -9.370 21.955 -5.301 1.00 0.00 N ATOM 0 H LYS A 11 -8.771 15.599 -4.118 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.612 17.576 -6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.655 18.266 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.105 17.659 -3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.891 20.156 -3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.317 19.409 -3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.970 21.081 -4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.061 19.576 -5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.414 21.200 -7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.525 20.071 -6.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.835 22.634 -5.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.069 21.570 -4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.616 22.437 -4.771 1.00 0.00 H new ATOM 176 N GLY A 12 -6.222 16.406 -3.349 1.00 0.00 N ATOM 177 CA GLY A 12 -4.951 16.260 -2.553 1.00 0.00 C ATOM 178 C GLY A 12 -5.023 15.480 -1.230 1.00 0.00 C ATOM 179 O GLY A 12 -4.465 15.927 -0.249 1.00 0.00 O ATOM 0 H GLY A 12 -6.976 15.800 -3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.211 15.774 -3.189 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.576 17.260 -2.333 1.00 0.00 H new ATOM 183 N LEU A 13 -5.671 14.348 -1.205 1.00 0.00 N ATOM 184 CA LEU A 13 -5.761 13.547 0.071 1.00 0.00 C ATOM 185 C LEU A 13 -4.692 12.408 0.030 1.00 0.00 C ATOM 186 O LEU A 13 -4.411 11.818 -0.992 1.00 0.00 O ATOM 187 CB LEU A 13 -7.226 13.032 0.132 1.00 0.00 C ATOM 188 CG LEU A 13 -7.650 12.543 1.539 1.00 0.00 C ATOM 189 CD1 LEU A 13 -9.171 12.395 1.506 1.00 0.00 C ATOM 190 CD2 LEU A 13 -7.118 11.140 1.830 1.00 0.00 C ATOM 0 H LEU A 13 -6.145 13.935 -2.008 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.546 14.121 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.897 13.831 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.346 12.215 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.275 13.246 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.524 12.051 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.625 13.358 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.450 11.670 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.435 10.830 2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.510 10.442 1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.029 11.147 1.782 1.00 0.00 H new ATOM 202 N LEU A 14 -4.094 12.076 1.140 1.00 0.00 N ATOM 203 CA LEU A 14 -3.046 10.987 1.129 1.00 0.00 C ATOM 204 C LEU A 14 -3.530 9.506 1.086 1.00 0.00 C ATOM 205 O LEU A 14 -3.068 8.661 1.826 1.00 0.00 O ATOM 206 CB LEU A 14 -2.149 11.243 2.378 1.00 0.00 C ATOM 207 CG LEU A 14 -1.417 12.600 2.290 1.00 0.00 C ATOM 208 CD1 LEU A 14 -0.672 12.812 3.602 1.00 0.00 C ATOM 209 CD2 LEU A 14 -0.352 12.550 1.189 1.00 0.00 C ATOM 0 H LEU A 14 -4.275 12.499 2.050 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.523 11.067 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.764 11.219 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.417 10.441 2.471 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.142 13.388 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.144 13.765 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.384 12.819 4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.045 12.004 3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.159 13.511 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.371 11.767 1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.828 12.337 0.232 1.00 0.00 H new ATOM 221 N VAL A 15 -4.441 9.212 0.203 1.00 0.00 N ATOM 222 CA VAL A 15 -4.966 7.797 0.088 1.00 0.00 C ATOM 223 C VAL A 15 -4.621 7.093 -1.252 1.00 0.00 C ATOM 224 O VAL A 15 -4.442 7.742 -2.264 1.00 0.00 O ATOM 225 CB VAL A 15 -6.509 7.866 0.284 1.00 0.00 C ATOM 226 CG1 VAL A 15 -7.173 8.660 -0.865 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.138 6.456 0.285 1.00 0.00 C ATOM 0 H VAL A 15 -4.853 9.879 -0.449 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.479 7.190 0.851 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.679 8.356 1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.251 8.695 -0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.775 9.675 -0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.961 8.170 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.216 6.539 0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.931 5.965 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.712 5.868 1.098 1.00 0.00 H new ATOM 237 N PHE A 16 -4.545 5.790 -1.231 1.00 0.00 N ATOM 238 CA PHE A 16 -4.228 4.992 -2.472 1.00 0.00 C ATOM 239 C PHE A 16 -5.600 4.558 -3.017 1.00 0.00 C ATOM 240 O PHE A 16 -6.326 3.841 -2.356 1.00 0.00 O ATOM 241 CB PHE A 16 -3.407 3.712 -2.141 1.00 0.00 C ATOM 242 CG PHE A 16 -1.946 3.931 -1.726 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.285 5.127 -1.868 1.00 0.00 C ATOM 244 CD2 PHE A 16 -1.265 2.857 -1.203 1.00 0.00 C ATOM 245 CE1 PHE A 16 0.041 5.243 -1.492 1.00 0.00 C ATOM 246 CE2 PHE A 16 0.056 2.961 -0.823 1.00 0.00 C ATOM 247 CZ PHE A 16 0.710 4.157 -0.970 1.00 0.00 C ATOM 0 H PHE A 16 -4.691 5.225 -0.394 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.638 5.584 -3.172 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.915 3.178 -1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.421 3.061 -3.015 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.804 5.982 -2.276 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.776 1.912 -1.088 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.553 6.187 -1.608 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.572 2.106 -0.412 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.746 4.248 -0.678 1.00 0.00 H new ATOM 257 N GLU A 17 -5.939 4.981 -4.190 1.00 0.00 N ATOM 258 CA GLU A 17 -7.270 4.594 -4.764 1.00 0.00 C ATOM 259 C GLU A 17 -7.146 3.700 -6.028 1.00 0.00 C ATOM 260 O GLU A 17 -6.486 4.110 -6.966 1.00 0.00 O ATOM 261 CB GLU A 17 -7.976 5.940 -5.016 1.00 0.00 C ATOM 262 CG GLU A 17 -9.448 5.716 -5.521 1.00 0.00 C ATOM 263 CD GLU A 17 -9.522 5.751 -7.024 1.00 0.00 C ATOM 264 OE1 GLU A 17 -9.550 6.852 -7.529 1.00 0.00 O ATOM 265 OE2 GLU A 17 -9.519 4.703 -7.630 1.00 0.00 O ATOM 0 H GLU A 17 -5.364 5.577 -4.785 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.848 3.963 -4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.988 6.527 -4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.418 6.515 -5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.817 4.756 -5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.099 6.485 -5.105 1.00 0.00 H new ATOM 272 N PRO A 18 -7.746 2.525 -6.057 1.00 0.00 N ATOM 273 CA PRO A 18 -8.398 1.778 -4.922 1.00 0.00 C ATOM 274 C PRO A 18 -7.532 0.757 -4.093 1.00 0.00 C ATOM 275 O PRO A 18 -7.701 -0.438 -4.227 1.00 0.00 O ATOM 276 CB PRO A 18 -9.571 1.152 -5.652 1.00 0.00 C ATOM 277 CG PRO A 18 -8.870 0.638 -6.946 1.00 0.00 C ATOM 278 CD PRO A 18 -7.889 1.777 -7.337 1.00 0.00 C ATOM 0 HA PRO A 18 -8.643 2.441 -4.092 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.029 0.344 -5.082 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.357 1.876 -5.868 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.340 -0.297 -6.765 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.593 0.447 -7.739 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.934 1.388 -7.690 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.291 2.405 -8.132 1.00 0.00 H new ATOM 286 N ALA A 19 -6.648 1.244 -3.262 1.00 0.00 N ATOM 287 CA ALA A 19 -5.707 0.452 -2.363 1.00 0.00 C ATOM 288 C ALA A 19 -5.707 -1.121 -2.320 1.00 0.00 C ATOM 289 O ALA A 19 -4.671 -1.758 -2.284 1.00 0.00 O ATOM 290 CB ALA A 19 -5.947 1.021 -0.944 1.00 0.00 C ATOM 0 H ALA A 19 -6.522 2.250 -3.153 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.725 0.594 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.305 0.503 -0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.714 2.086 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.991 0.875 -0.665 1.00 0.00 H new ATOM 296 N LYS A 20 -6.868 -1.703 -2.328 1.00 0.00 N ATOM 297 CA LYS A 20 -7.046 -3.201 -2.283 1.00 0.00 C ATOM 298 C LYS A 20 -6.986 -3.833 -3.712 1.00 0.00 C ATOM 299 O LYS A 20 -7.798 -4.661 -4.087 1.00 0.00 O ATOM 300 CB LYS A 20 -8.438 -3.469 -1.604 1.00 0.00 C ATOM 301 CG LYS A 20 -9.543 -2.759 -2.488 1.00 0.00 C ATOM 302 CD LYS A 20 -11.011 -3.233 -2.213 1.00 0.00 C ATOM 303 CE LYS A 20 -11.614 -2.703 -0.919 1.00 0.00 C ATOM 304 NZ LYS A 20 -10.903 -3.387 0.203 1.00 0.00 N ATOM 0 H LYS A 20 -7.748 -1.188 -2.365 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.238 -3.664 -1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.631 -4.540 -1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.450 -3.077 -0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.486 -1.683 -2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.312 -2.930 -3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.641 -2.923 -3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.029 -4.323 -2.188 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.493 -1.622 -0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.684 -2.907 -0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.588 -3.646 0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.437 -4.246 -0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.188 -2.746 0.603 1.00 0.00 H new ATOM 318 N LEU A 21 -6.003 -3.441 -4.469 1.00 0.00 N ATOM 319 CA LEU A 21 -5.855 -3.973 -5.869 1.00 0.00 C ATOM 320 C LEU A 21 -5.896 -5.525 -5.974 1.00 0.00 C ATOM 321 O LEU A 21 -4.920 -6.228 -5.814 1.00 0.00 O ATOM 322 CB LEU A 21 -4.527 -3.343 -6.412 1.00 0.00 C ATOM 323 CG LEU A 21 -4.287 -3.544 -7.944 1.00 0.00 C ATOM 324 CD1 LEU A 21 -3.699 -4.904 -8.230 1.00 0.00 C ATOM 325 CD2 LEU A 21 -5.612 -3.503 -8.726 1.00 0.00 C ATOM 0 H LEU A 21 -5.287 -2.772 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.711 -3.687 -6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.533 -2.275 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.687 -3.774 -5.867 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.615 -2.741 -8.248 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.543 -5.015 -9.303 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.745 -5.004 -7.713 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.384 -5.677 -7.881 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.412 -3.646 -9.788 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.269 -4.297 -8.371 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.094 -2.537 -8.574 1.00 0.00 H new ATOM 337 N THR A 22 -7.061 -6.037 -6.240 1.00 0.00 N ATOM 338 CA THR A 22 -7.239 -7.533 -6.372 1.00 0.00 C ATOM 339 C THR A 22 -7.258 -7.950 -7.846 1.00 0.00 C ATOM 340 O THR A 22 -8.283 -8.154 -8.464 1.00 0.00 O ATOM 341 CB THR A 22 -8.555 -7.958 -5.700 1.00 0.00 C ATOM 342 OG1 THR A 22 -8.392 -7.538 -4.355 1.00 0.00 O ATOM 343 CG2 THR A 22 -8.610 -9.460 -5.495 1.00 0.00 C ATOM 0 H THR A 22 -7.912 -5.492 -6.375 1.00 0.00 H new ATOM 0 HA THR A 22 -6.399 -8.026 -5.882 1.00 0.00 H new ATOM 0 HB THR A 22 -9.396 -7.582 -6.282 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.355 -6.559 -4.320 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.553 -9.728 -5.018 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.536 -9.962 -6.460 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.781 -9.771 -4.860 1.00 0.00 H new ATOM 351 N ILE A 23 -6.070 -8.054 -8.368 1.00 0.00 N ATOM 352 CA ILE A 23 -5.835 -8.444 -9.797 1.00 0.00 C ATOM 353 C ILE A 23 -5.424 -9.889 -10.000 1.00 0.00 C ATOM 354 O ILE A 23 -5.305 -10.641 -9.053 1.00 0.00 O ATOM 355 CB ILE A 23 -4.727 -7.568 -10.407 1.00 0.00 C ATOM 356 CG1 ILE A 23 -3.364 -7.561 -9.643 1.00 0.00 C ATOM 357 CG2 ILE A 23 -5.255 -6.180 -10.691 1.00 0.00 C ATOM 358 CD1 ILE A 23 -2.527 -8.851 -9.880 1.00 0.00 C ATOM 0 H ILE A 23 -5.213 -7.878 -7.844 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.799 -8.301 -10.285 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.461 -8.045 -11.350 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.782 -6.694 -9.957 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.553 -7.448 -8.575 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.461 -5.570 -11.122 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.086 -6.244 -11.393 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.599 -5.724 -9.762 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.592 -8.786 -9.323 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.092 -9.719 -9.540 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.309 -8.953 -10.943 1.00 0.00 H new ATOM 370 N LYS A 24 -5.207 -10.264 -11.231 1.00 0.00 N ATOM 371 CA LYS A 24 -4.791 -11.670 -11.481 1.00 0.00 C ATOM 372 C LYS A 24 -3.280 -11.725 -11.881 1.00 0.00 C ATOM 373 O LYS A 24 -2.755 -10.776 -12.434 1.00 0.00 O ATOM 374 CB LYS A 24 -5.763 -12.201 -12.584 1.00 0.00 C ATOM 375 CG LYS A 24 -5.471 -11.522 -13.959 1.00 0.00 C ATOM 376 CD LYS A 24 -6.834 -11.250 -14.671 1.00 0.00 C ATOM 377 CE LYS A 24 -6.662 -10.671 -16.091 1.00 0.00 C ATOM 378 NZ LYS A 24 -6.134 -9.308 -15.930 1.00 0.00 N ATOM 0 H LYS A 24 -5.297 -9.672 -12.057 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.863 -12.305 -10.598 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.657 -13.282 -12.678 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.794 -12.006 -12.290 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.926 -10.589 -13.814 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.843 -12.166 -14.575 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.400 -12.180 -14.729 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.421 -10.556 -14.069 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.979 -11.284 -16.679 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.614 -10.657 -16.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.650 -8.659 -16.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.254 -9.003 -14.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.123 -9.296 -16.175 1.00 0.00 H new ATOM 392 N PRO A 25 -2.613 -12.825 -11.594 1.00 0.00 N ATOM 393 CA PRO A 25 -1.115 -12.916 -11.700 1.00 0.00 C ATOM 394 C PRO A 25 -0.447 -12.215 -12.927 1.00 0.00 C ATOM 395 O PRO A 25 -0.262 -12.829 -13.957 1.00 0.00 O ATOM 396 CB PRO A 25 -0.874 -14.458 -11.610 1.00 0.00 C ATOM 397 CG PRO A 25 -2.273 -15.075 -11.906 1.00 0.00 C ATOM 398 CD PRO A 25 -3.215 -14.127 -11.174 1.00 0.00 C ATOM 0 HA PRO A 25 -0.620 -12.345 -10.914 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.130 -14.789 -12.335 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.510 -14.748 -10.625 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.483 -15.110 -12.975 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.353 -16.096 -11.532 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.252 -14.234 -11.494 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.199 -14.269 -10.093 1.00 0.00 H new ATOM 406 N GLY A 26 -0.103 -10.952 -12.797 1.00 0.00 N ATOM 407 CA GLY A 26 0.552 -10.222 -13.965 1.00 0.00 C ATOM 408 C GLY A 26 0.033 -8.808 -14.239 1.00 0.00 C ATOM 409 O GLY A 26 0.764 -7.956 -14.705 1.00 0.00 O ATOM 0 H GLY A 26 -0.239 -10.393 -11.954 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.625 -10.166 -13.779 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.416 -10.820 -14.866 1.00 0.00 H new ATOM 413 N ASP A 27 -1.219 -8.570 -13.969 1.00 0.00 N ATOM 414 CA ASP A 27 -1.816 -7.212 -14.200 1.00 0.00 C ATOM 415 C ASP A 27 -0.873 -6.015 -13.863 1.00 0.00 C ATOM 416 O ASP A 27 -0.821 -5.534 -12.755 1.00 0.00 O ATOM 417 CB ASP A 27 -3.139 -7.238 -13.376 1.00 0.00 C ATOM 418 CG ASP A 27 -4.168 -8.167 -13.965 1.00 0.00 C ATOM 419 OD1 ASP A 27 -3.876 -8.764 -14.969 1.00 0.00 O ATOM 420 OD2 ASP A 27 -5.242 -8.262 -13.429 1.00 0.00 O ATOM 0 H ASP A 27 -1.867 -9.262 -13.593 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.997 -7.030 -15.259 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.920 -7.545 -12.353 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.551 -6.230 -13.325 1.00 0.00 H new ATOM 425 N THR A 28 -0.171 -5.611 -14.885 1.00 0.00 N ATOM 426 CA THR A 28 0.853 -4.479 -14.924 1.00 0.00 C ATOM 427 C THR A 28 0.520 -3.033 -14.446 1.00 0.00 C ATOM 428 O THR A 28 0.920 -2.028 -15.002 1.00 0.00 O ATOM 429 CB THR A 28 1.328 -4.431 -16.345 1.00 0.00 C ATOM 430 OG1 THR A 28 1.614 -5.775 -16.696 1.00 0.00 O ATOM 431 CG2 THR A 28 2.704 -3.848 -16.492 1.00 0.00 C ATOM 0 H THR A 28 -0.268 -6.060 -15.796 1.00 0.00 H new ATOM 0 HA THR A 28 1.568 -4.754 -14.148 1.00 0.00 H new ATOM 0 HB THR A 28 0.578 -3.877 -16.909 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.930 -5.811 -17.623 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.986 -3.843 -17.545 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.709 -2.827 -16.110 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.416 -4.450 -15.928 1.00 0.00 H new ATOM 439 N VAL A 29 -0.238 -2.996 -13.410 1.00 0.00 N ATOM 440 CA VAL A 29 -0.739 -1.765 -12.691 1.00 0.00 C ATOM 441 C VAL A 29 0.332 -0.704 -12.301 1.00 0.00 C ATOM 442 O VAL A 29 1.479 -0.999 -12.030 1.00 0.00 O ATOM 443 CB VAL A 29 -1.480 -2.275 -11.426 1.00 0.00 C ATOM 444 CG1 VAL A 29 -1.891 -1.125 -10.489 1.00 0.00 C ATOM 445 CG2 VAL A 29 -2.770 -2.991 -11.828 1.00 0.00 C ATOM 0 H VAL A 29 -0.576 -3.854 -12.973 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.378 -1.220 -13.386 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.786 -2.940 -10.912 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.406 -1.531 -9.618 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.002 -0.584 -10.165 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.557 -0.444 -11.019 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.283 -3.345 -10.934 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.417 -2.299 -12.368 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.531 -3.839 -12.469 1.00 0.00 H new ATOM 455 N GLU A 30 -0.131 0.514 -12.304 1.00 0.00 N ATOM 456 CA GLU A 30 0.671 1.717 -11.965 1.00 0.00 C ATOM 457 C GLU A 30 0.177 2.503 -10.705 1.00 0.00 C ATOM 458 O GLU A 30 -0.937 2.346 -10.229 1.00 0.00 O ATOM 459 CB GLU A 30 0.654 2.581 -13.256 1.00 0.00 C ATOM 460 CG GLU A 30 -0.726 3.307 -13.474 1.00 0.00 C ATOM 461 CD GLU A 30 -0.857 4.571 -12.653 1.00 0.00 C ATOM 462 OE1 GLU A 30 -0.107 5.467 -12.941 1.00 0.00 O ATOM 463 OE2 GLU A 30 -1.684 4.613 -11.772 1.00 0.00 O ATOM 0 H GLU A 30 -1.098 0.733 -12.545 1.00 0.00 H new ATOM 0 HA GLU A 30 1.680 1.428 -11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.449 3.325 -13.202 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.868 1.948 -14.117 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.841 3.551 -14.530 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.536 2.625 -13.215 1.00 0.00 H new ATOM 470 N PHE A 31 1.056 3.321 -10.194 1.00 0.00 N ATOM 471 CA PHE A 31 0.772 4.174 -8.985 1.00 0.00 C ATOM 472 C PHE A 31 0.893 5.689 -9.346 1.00 0.00 C ATOM 473 O PHE A 31 1.803 6.355 -8.886 1.00 0.00 O ATOM 474 CB PHE A 31 1.796 3.799 -7.864 1.00 0.00 C ATOM 475 CG PHE A 31 2.003 2.287 -7.703 1.00 0.00 C ATOM 476 CD1 PHE A 31 0.987 1.374 -7.887 1.00 0.00 C ATOM 477 CD2 PHE A 31 3.257 1.833 -7.362 1.00 0.00 C ATOM 478 CE1 PHE A 31 1.227 0.026 -7.731 1.00 0.00 C ATOM 479 CE2 PHE A 31 3.502 0.488 -7.205 1.00 0.00 C ATOM 480 CZ PHE A 31 2.485 -0.415 -7.391 1.00 0.00 C ATOM 0 H PHE A 31 1.995 3.443 -10.573 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.244 3.993 -8.635 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.755 4.267 -8.088 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.453 4.213 -6.916 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.002 1.717 -8.155 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.059 2.542 -7.216 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.427 -0.685 -7.876 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.490 0.144 -6.937 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.672 -1.472 -7.270 1.00 0.00 H new ATOM 490 N LEU A 32 0.007 6.211 -10.144 1.00 0.00 N ATOM 491 CA LEU A 32 0.082 7.670 -10.533 1.00 0.00 C ATOM 492 C LEU A 32 0.288 8.669 -9.360 1.00 0.00 C ATOM 493 O LEU A 32 -0.355 8.611 -8.326 1.00 0.00 O ATOM 494 CB LEU A 32 -1.219 8.017 -11.314 1.00 0.00 C ATOM 495 CG LEU A 32 -1.151 9.422 -11.930 1.00 0.00 C ATOM 496 CD1 LEU A 32 -0.248 9.353 -13.156 1.00 0.00 C ATOM 497 CD2 LEU A 32 -2.553 9.788 -12.403 1.00 0.00 C ATOM 0 H LEU A 32 -0.774 5.698 -10.552 1.00 0.00 H new ATOM 0 HA LEU A 32 0.979 7.789 -11.141 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.378 7.281 -12.102 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.075 7.955 -10.642 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.776 10.149 -11.210 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.181 10.340 -13.615 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.747 9.024 -12.857 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.663 8.646 -13.874 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.539 10.783 -12.847 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.887 9.064 -13.146 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.237 9.779 -11.555 1.00 0.00 H new ATOM 509 N ASN A 33 1.199 9.573 -9.611 1.00 0.00 N ATOM 510 CA ASN A 33 1.597 10.658 -8.651 1.00 0.00 C ATOM 511 C ASN A 33 0.812 11.963 -8.965 1.00 0.00 C ATOM 512 O ASN A 33 1.253 12.810 -9.720 1.00 0.00 O ATOM 513 CB ASN A 33 3.147 10.777 -8.811 1.00 0.00 C ATOM 514 CG ASN A 33 3.711 11.838 -7.901 1.00 0.00 C ATOM 515 OD1 ASN A 33 3.637 11.792 -6.698 1.00 0.00 O ATOM 516 ND2 ASN A 33 4.311 12.852 -8.401 1.00 0.00 N ATOM 0 H ASN A 33 1.713 9.607 -10.491 1.00 0.00 H new ATOM 0 HA ASN A 33 1.352 10.445 -7.610 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.613 9.817 -8.587 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.391 11.016 -9.846 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.697 13.570 -7.788 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.403 12.942 -9.413 1.00 0.00 H new ATOM 523 N ASN A 34 -0.338 12.083 -8.350 1.00 0.00 N ATOM 524 CA ASN A 34 -1.216 13.294 -8.575 1.00 0.00 C ATOM 525 C ASN A 34 -1.082 14.495 -7.604 1.00 0.00 C ATOM 526 O ASN A 34 -0.995 15.623 -8.053 1.00 0.00 O ATOM 527 CB ASN A 34 -2.706 12.758 -8.601 1.00 0.00 C ATOM 528 CG ASN A 34 -3.743 13.873 -8.801 1.00 0.00 C ATOM 529 OD1 ASN A 34 -3.587 14.783 -9.582 1.00 0.00 O ATOM 530 ND2 ASN A 34 -4.837 13.890 -8.132 1.00 0.00 N ATOM 0 H ASN A 34 -0.716 11.396 -7.697 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.879 13.743 -9.509 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.809 12.026 -9.402 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.915 12.238 -7.666 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.511 14.641 -8.276 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.033 13.152 -7.456 1.00 0.00 H new ATOM 537 N LYS A 35 -1.087 14.278 -6.322 1.00 0.00 N ATOM 538 CA LYS A 35 -0.959 15.434 -5.352 1.00 0.00 C ATOM 539 C LYS A 35 0.057 15.219 -4.200 1.00 0.00 C ATOM 540 O LYS A 35 0.752 14.232 -4.185 1.00 0.00 O ATOM 541 CB LYS A 35 -2.398 15.688 -4.832 1.00 0.00 C ATOM 542 CG LYS A 35 -3.340 16.089 -6.004 1.00 0.00 C ATOM 543 CD LYS A 35 -3.003 17.542 -6.495 1.00 0.00 C ATOM 544 CE LYS A 35 -3.788 17.900 -7.760 1.00 0.00 C ATOM 545 NZ LYS A 35 -3.084 17.260 -8.916 1.00 0.00 N ATOM 0 H LYS A 35 -1.173 13.358 -5.890 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.540 16.300 -5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.778 14.791 -4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.385 16.478 -4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.229 15.384 -6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.379 16.039 -5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.235 18.257 -5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.934 17.622 -6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.815 17.542 -7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.836 18.981 -7.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.037 17.932 -9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.120 16.993 -8.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.605 16.410 -9.213 1.00 0.00 H new ATOM 559 N VAL A 36 0.107 16.142 -3.276 1.00 0.00 N ATOM 560 CA VAL A 36 1.042 16.106 -2.071 1.00 0.00 C ATOM 561 C VAL A 36 2.218 15.057 -2.100 1.00 0.00 C ATOM 562 O VAL A 36 2.201 14.068 -1.391 1.00 0.00 O ATOM 563 CB VAL A 36 0.144 15.877 -0.805 1.00 0.00 C ATOM 564 CG1 VAL A 36 0.961 16.137 0.479 1.00 0.00 C ATOM 565 CG2 VAL A 36 -1.055 16.843 -0.772 1.00 0.00 C ATOM 0 H VAL A 36 -0.489 16.970 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 36 1.573 17.058 -2.069 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.209 14.847 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.328 15.975 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.810 15.454 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.322 17.165 0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.652 16.652 0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.693 17.871 -0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.670 16.691 -1.659 1.00 0.00 H new ATOM 575 N PRO A 37 3.205 15.294 -2.940 1.00 0.00 N ATOM 576 CA PRO A 37 4.538 14.606 -2.844 1.00 0.00 C ATOM 577 C PRO A 37 5.232 14.603 -1.434 1.00 0.00 C ATOM 578 O PRO A 37 4.764 15.200 -0.485 1.00 0.00 O ATOM 579 CB PRO A 37 5.358 15.320 -3.964 1.00 0.00 C ATOM 580 CG PRO A 37 4.628 16.678 -4.125 1.00 0.00 C ATOM 581 CD PRO A 37 3.163 16.258 -4.075 1.00 0.00 C ATOM 0 HA PRO A 37 4.443 13.529 -2.981 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.401 15.455 -3.676 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.355 14.748 -4.892 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.880 17.374 -3.325 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.880 17.168 -5.065 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.496 17.098 -3.883 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.831 15.793 -5.004 1.00 0.00 H new ATOM 589 N PRO A 38 6.345 13.914 -1.313 1.00 0.00 N ATOM 590 CA PRO A 38 6.933 12.970 -2.315 1.00 0.00 C ATOM 591 C PRO A 38 6.382 11.522 -2.168 1.00 0.00 C ATOM 592 O PRO A 38 6.556 10.869 -1.156 1.00 0.00 O ATOM 593 CB PRO A 38 8.448 13.082 -2.052 1.00 0.00 C ATOM 594 CG PRO A 38 8.572 14.107 -0.862 1.00 0.00 C ATOM 595 CD PRO A 38 7.227 14.008 -0.128 1.00 0.00 C ATOM 0 HA PRO A 38 6.673 13.220 -3.344 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.877 12.115 -1.788 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.978 13.435 -2.936 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.403 13.853 -0.204 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.752 15.118 -1.226 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.161 13.134 0.521 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.016 14.881 0.490 1.00 0.00 H new ATOM 603 N HIS A 39 5.728 11.030 -3.181 1.00 0.00 N ATOM 604 CA HIS A 39 5.175 9.635 -3.091 1.00 0.00 C ATOM 605 C HIS A 39 6.086 8.527 -3.617 1.00 0.00 C ATOM 606 O HIS A 39 5.989 8.066 -4.733 1.00 0.00 O ATOM 607 CB HIS A 39 3.844 9.550 -3.854 1.00 0.00 C ATOM 608 CG HIS A 39 2.798 10.436 -3.225 1.00 0.00 C ATOM 609 ND1 HIS A 39 2.220 10.201 -2.047 1.00 0.00 N ATOM 610 CD2 HIS A 39 2.316 11.584 -3.794 1.00 0.00 C ATOM 611 CE1 HIS A 39 1.389 11.223 -1.926 1.00 0.00 C ATOM 612 NE2 HIS A 39 1.461 12.004 -2.937 1.00 0.00 N ATOM 0 H HIS A 39 5.550 11.518 -4.059 1.00 0.00 H new ATOM 0 HA HIS A 39 5.059 9.460 -2.021 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.997 9.844 -4.892 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.493 8.518 -3.864 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.591 12.029 -4.739 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.734 11.378 -1.082 1.00 0.00 H new ATOM 0 HE2 HIS A 39 0.908 12.854 -3.047 1.00 0.00 H new ATOM 620 N ASN A 40 6.969 8.122 -2.771 1.00 0.00 N ATOM 621 CA ASN A 40 7.931 7.044 -3.131 1.00 0.00 C ATOM 622 C ASN A 40 7.497 5.820 -2.339 1.00 0.00 C ATOM 623 O ASN A 40 7.449 5.934 -1.133 1.00 0.00 O ATOM 624 CB ASN A 40 9.295 7.536 -2.720 1.00 0.00 C ATOM 625 CG ASN A 40 9.507 8.889 -3.294 1.00 0.00 C ATOM 626 OD1 ASN A 40 9.023 9.898 -2.836 1.00 0.00 O ATOM 627 ND2 ASN A 40 10.236 8.990 -4.336 1.00 0.00 N ATOM 0 H ASN A 40 7.075 8.492 -1.827 1.00 0.00 H new ATOM 0 HA ASN A 40 7.958 6.792 -4.191 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.372 7.570 -1.633 1.00 0.00 H new ATOM 0 HB3 ASN A 40 10.066 6.851 -3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.397 9.904 -4.759 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.658 8.157 -4.746 1.00 0.00 H new ATOM 634 N VAL A 41 7.157 4.720 -2.959 1.00 0.00 N ATOM 635 CA VAL A 41 6.755 3.568 -2.090 1.00 0.00 C ATOM 636 C VAL A 41 7.605 2.312 -2.146 1.00 0.00 C ATOM 637 O VAL A 41 7.760 1.743 -3.199 1.00 0.00 O ATOM 638 CB VAL A 41 5.277 3.095 -2.370 1.00 0.00 C ATOM 639 CG1 VAL A 41 4.278 4.255 -2.549 1.00 0.00 C ATOM 640 CG2 VAL A 41 5.098 2.217 -3.638 1.00 0.00 C ATOM 0 H VAL A 41 7.138 4.568 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 41 6.890 4.013 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 41 5.070 2.515 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.283 3.852 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.258 4.861 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.586 4.873 -3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.049 1.942 -3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.418 2.777 -4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.702 1.314 -3.544 1.00 0.00 H new ATOM 650 N VAL A 42 8.124 1.880 -1.042 1.00 0.00 N ATOM 651 CA VAL A 42 8.968 0.634 -1.031 1.00 0.00 C ATOM 652 C VAL A 42 8.004 -0.509 -0.653 1.00 0.00 C ATOM 653 O VAL A 42 6.835 -0.265 -0.457 1.00 0.00 O ATOM 654 CB VAL A 42 10.119 0.792 0.022 1.00 0.00 C ATOM 655 CG1 VAL A 42 11.145 1.779 -0.523 1.00 0.00 C ATOM 656 CG2 VAL A 42 9.619 1.377 1.353 1.00 0.00 C ATOM 0 H VAL A 42 8.008 2.329 -0.134 1.00 0.00 H new ATOM 0 HA VAL A 42 9.445 0.436 -1.991 1.00 0.00 H new ATOM 0 HB VAL A 42 10.533 -0.201 0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.953 1.900 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.550 1.401 -1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.666 2.743 -0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.454 1.466 2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.186 2.362 1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.862 0.718 1.778 1.00 0.00 H new ATOM 666 N PHE A 43 8.424 -1.733 -0.585 1.00 0.00 N ATOM 667 CA PHE A 43 7.469 -2.815 -0.200 1.00 0.00 C ATOM 668 C PHE A 43 7.410 -3.204 1.304 1.00 0.00 C ATOM 669 O PHE A 43 8.442 -3.379 1.924 1.00 0.00 O ATOM 670 CB PHE A 43 7.847 -4.051 -1.036 1.00 0.00 C ATOM 671 CG PHE A 43 6.549 -4.454 -1.668 1.00 0.00 C ATOM 672 CD1 PHE A 43 5.554 -4.928 -0.870 1.00 0.00 C ATOM 673 CD2 PHE A 43 6.335 -4.295 -3.003 1.00 0.00 C ATOM 674 CE1 PHE A 43 4.348 -5.239 -1.397 1.00 0.00 C ATOM 675 CE2 PHE A 43 5.125 -4.605 -3.546 1.00 0.00 C ATOM 676 CZ PHE A 43 4.111 -5.082 -2.748 1.00 0.00 C ATOM 0 H PHE A 43 9.379 -2.037 -0.776 1.00 0.00 H new ATOM 0 HA PHE A 43 6.470 -2.427 -0.397 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.602 -3.813 -1.785 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.255 -4.847 -0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.728 -5.056 0.188 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.128 -3.922 -3.634 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.564 -5.613 -0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.961 -4.476 -4.606 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.148 -5.329 -3.170 1.00 0.00 H new ATOM 686 N ASP A 44 6.223 -3.331 1.843 1.00 0.00 N ATOM 687 CA ASP A 44 6.049 -3.722 3.282 1.00 0.00 C ATOM 688 C ASP A 44 6.641 -5.178 3.488 1.00 0.00 C ATOM 689 O ASP A 44 5.927 -6.150 3.625 1.00 0.00 O ATOM 690 CB ASP A 44 4.522 -3.652 3.559 1.00 0.00 C ATOM 691 CG ASP A 44 3.957 -2.265 3.556 1.00 0.00 C ATOM 692 OD1 ASP A 44 4.038 -1.584 2.560 1.00 0.00 O ATOM 693 OD2 ASP A 44 3.428 -1.884 4.579 1.00 0.00 O ATOM 0 H ASP A 44 5.349 -3.178 1.339 1.00 0.00 H new ATOM 0 HA ASP A 44 6.576 -3.068 3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.001 -4.245 2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.319 -4.112 4.526 1.00 0.00 H new ATOM 698 N ALA A 45 7.938 -5.308 3.533 1.00 0.00 N ATOM 699 CA ALA A 45 8.674 -6.636 3.710 1.00 0.00 C ATOM 700 C ALA A 45 8.108 -7.736 4.681 1.00 0.00 C ATOM 701 O ALA A 45 8.570 -8.861 4.674 1.00 0.00 O ATOM 702 CB ALA A 45 10.127 -6.238 4.083 1.00 0.00 C ATOM 0 H ALA A 45 8.570 -4.511 3.451 1.00 0.00 H new ATOM 0 HA ALA A 45 8.554 -7.175 2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.725 -7.138 4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.559 -5.641 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.120 -5.655 5.004 1.00 0.00 H new ATOM 708 N ALA A 46 7.133 -7.403 5.475 1.00 0.00 N ATOM 709 CA ALA A 46 6.514 -8.376 6.442 1.00 0.00 C ATOM 710 C ALA A 46 5.064 -8.788 6.022 1.00 0.00 C ATOM 711 O ALA A 46 4.497 -9.762 6.493 1.00 0.00 O ATOM 712 CB ALA A 46 6.556 -7.674 7.815 1.00 0.00 C ATOM 0 H ALA A 46 6.720 -6.471 5.502 1.00 0.00 H new ATOM 0 HA ALA A 46 7.062 -9.318 6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.120 -8.327 8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.590 -7.453 8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.988 -6.745 7.766 1.00 0.00 H new ATOM 718 N LEU A 47 4.500 -8.037 5.121 1.00 0.00 N ATOM 719 CA LEU A 47 3.113 -8.268 4.599 1.00 0.00 C ATOM 720 C LEU A 47 3.143 -9.029 3.249 1.00 0.00 C ATOM 721 O LEU A 47 2.653 -8.600 2.231 1.00 0.00 O ATOM 722 CB LEU A 47 2.439 -6.866 4.462 1.00 0.00 C ATOM 723 CG LEU A 47 1.932 -6.292 5.807 1.00 0.00 C ATOM 724 CD1 LEU A 47 3.075 -6.081 6.801 1.00 0.00 C ATOM 725 CD2 LEU A 47 1.332 -4.916 5.524 1.00 0.00 C ATOM 0 H LEU A 47 4.963 -7.231 4.701 1.00 0.00 H new ATOM 0 HA LEU A 47 2.540 -8.895 5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.154 -6.169 4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.601 -6.940 3.769 1.00 0.00 H new ATOM 0 HG LEU A 47 1.215 -6.994 6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.678 -5.677 7.732 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.566 -7.034 6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.798 -5.381 6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.964 -4.482 6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.096 -4.266 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.507 -5.017 4.819 1.00 0.00 H new ATOM 737 N ASN A 48 3.761 -10.172 3.291 1.00 0.00 N ATOM 738 CA ASN A 48 3.889 -11.058 2.087 1.00 0.00 C ATOM 739 C ASN A 48 3.371 -12.497 2.413 1.00 0.00 C ATOM 740 O ASN A 48 3.435 -12.893 3.565 1.00 0.00 O ATOM 741 CB ASN A 48 5.407 -11.025 1.696 1.00 0.00 C ATOM 742 CG ASN A 48 6.279 -11.010 2.946 1.00 0.00 C ATOM 743 OD1 ASN A 48 5.863 -11.371 4.028 1.00 0.00 O ATOM 744 ND2 ASN A 48 7.494 -10.610 2.888 1.00 0.00 N ATOM 0 H ASN A 48 4.199 -10.547 4.133 1.00 0.00 H new ATOM 0 HA ASN A 48 3.281 -10.718 1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.651 -11.895 1.086 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.614 -10.143 1.090 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.070 -10.604 3.730 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.886 -10.297 2.000 1.00 0.00 H new ATOM 751 N PRO A 49 2.880 -13.243 1.446 1.00 0.00 N ATOM 752 CA PRO A 49 2.640 -14.719 1.626 1.00 0.00 C ATOM 753 C PRO A 49 3.898 -15.505 2.091 1.00 0.00 C ATOM 754 O PRO A 49 4.043 -15.862 3.243 1.00 0.00 O ATOM 755 CB PRO A 49 2.082 -15.137 0.238 1.00 0.00 C ATOM 756 CG PRO A 49 2.672 -14.066 -0.727 1.00 0.00 C ATOM 757 CD PRO A 49 2.502 -12.771 0.077 1.00 0.00 C ATOM 0 HA PRO A 49 1.949 -14.952 2.436 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.400 -16.143 -0.036 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.992 -15.132 0.225 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.718 -14.264 -0.963 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.133 -14.031 -1.674 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.154 -11.974 -0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.481 -12.390 0.038 1.00 0.00 H new ATOM 765 N ALA A 50 4.803 -15.740 1.183 1.00 0.00 N ATOM 766 CA ALA A 50 6.064 -16.493 1.515 1.00 0.00 C ATOM 767 C ALA A 50 7.122 -15.573 2.181 1.00 0.00 C ATOM 768 O ALA A 50 8.224 -15.437 1.698 1.00 0.00 O ATOM 769 CB ALA A 50 6.582 -17.085 0.190 1.00 0.00 C ATOM 0 H ALA A 50 4.730 -15.442 0.210 1.00 0.00 H new ATOM 0 HA ALA A 50 5.863 -17.282 2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.499 -17.644 0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.829 -17.752 -0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.784 -16.278 -0.514 1.00 0.00 H new ATOM 775 N LYS A 51 6.725 -14.977 3.269 1.00 0.00 N ATOM 776 CA LYS A 51 7.568 -14.033 4.097 1.00 0.00 C ATOM 777 C LYS A 51 9.025 -13.685 3.653 1.00 0.00 C ATOM 778 O LYS A 51 9.983 -13.786 4.391 1.00 0.00 O ATOM 779 CB LYS A 51 7.525 -14.634 5.518 1.00 0.00 C ATOM 780 CG LYS A 51 6.095 -14.536 6.103 1.00 0.00 C ATOM 781 CD LYS A 51 5.974 -13.187 6.875 1.00 0.00 C ATOM 782 CE LYS A 51 4.521 -12.875 7.161 1.00 0.00 C ATOM 783 NZ LYS A 51 3.987 -12.271 5.913 1.00 0.00 N ATOM 0 H LYS A 51 5.788 -15.109 3.651 1.00 0.00 H new ATOM 0 HA LYS A 51 7.132 -13.040 3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.842 -15.676 5.488 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.226 -14.106 6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.354 -14.585 5.305 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.900 -15.375 6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.532 -13.244 7.810 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.417 -12.383 6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.971 -13.778 7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.426 -12.187 8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.706 -11.287 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.721 -12.290 5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.160 -12.813 5.591 1.00 0.00 H new ATOM 797 N SER A 52 9.125 -13.258 2.427 1.00 0.00 N ATOM 798 CA SER A 52 10.452 -12.871 1.826 1.00 0.00 C ATOM 799 C SER A 52 10.601 -11.358 1.673 1.00 0.00 C ATOM 800 O SER A 52 9.713 -10.690 1.175 1.00 0.00 O ATOM 801 CB SER A 52 10.624 -13.481 0.430 1.00 0.00 C ATOM 802 OG SER A 52 10.752 -14.867 0.696 1.00 0.00 O ATOM 0 H SER A 52 8.331 -13.155 1.795 1.00 0.00 H new ATOM 0 HA SER A 52 11.207 -13.249 2.515 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.767 -13.271 -0.210 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.504 -13.085 -0.077 1.00 0.00 H new ATOM 0 HG SER A 52 9.896 -15.218 1.020 1.00 0.00 H new ATOM 808 N ALA A 53 11.725 -10.848 2.083 1.00 0.00 N ATOM 809 CA ALA A 53 11.974 -9.372 1.979 1.00 0.00 C ATOM 810 C ALA A 53 12.898 -9.010 0.793 1.00 0.00 C ATOM 811 O ALA A 53 13.756 -8.145 0.854 1.00 0.00 O ATOM 812 CB ALA A 53 12.558 -8.962 3.351 1.00 0.00 C ATOM 0 H ALA A 53 12.491 -11.386 2.489 1.00 0.00 H new ATOM 0 HA ALA A 53 11.057 -8.823 1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.767 -7.892 3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.838 -9.192 4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.481 -9.512 3.532 1.00 0.00 H new ATOM 818 N ASP A 54 12.689 -9.709 -0.285 1.00 0.00 N ATOM 819 CA ASP A 54 13.484 -9.462 -1.497 1.00 0.00 C ATOM 820 C ASP A 54 12.576 -9.078 -2.680 1.00 0.00 C ATOM 821 O ASP A 54 12.033 -8.010 -2.536 1.00 0.00 O ATOM 822 CB ASP A 54 14.320 -10.722 -1.759 1.00 0.00 C ATOM 823 CG ASP A 54 15.197 -10.316 -2.913 1.00 0.00 C ATOM 824 OD1 ASP A 54 15.956 -9.395 -2.658 1.00 0.00 O ATOM 825 OD2 ASP A 54 15.004 -10.931 -3.932 1.00 0.00 O ATOM 0 H ASP A 54 11.991 -10.448 -0.370 1.00 0.00 H new ATOM 0 HA ASP A 54 14.156 -8.614 -1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.908 -11.004 -0.886 1.00 0.00 H new ATOM 0 HB3 ASP A 54 13.693 -11.577 -2.011 1.00 0.00 H new ATOM 830 N LEU A 55 12.418 -9.839 -3.738 1.00 0.00 N ATOM 831 CA LEU A 55 11.512 -9.469 -4.915 1.00 0.00 C ATOM 832 C LEU A 55 10.670 -8.188 -4.694 1.00 0.00 C ATOM 833 O LEU A 55 10.743 -7.235 -5.439 1.00 0.00 O ATOM 834 CB LEU A 55 10.595 -10.712 -5.204 1.00 0.00 C ATOM 835 CG LEU A 55 9.550 -10.539 -6.377 1.00 0.00 C ATOM 836 CD1 LEU A 55 8.334 -9.671 -5.981 1.00 0.00 C ATOM 837 CD2 LEU A 55 10.195 -9.829 -7.577 1.00 0.00 C ATOM 0 H LEU A 55 12.890 -10.736 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 55 12.142 -9.227 -5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.234 -11.565 -5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.051 -10.958 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 55 9.224 -11.551 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.653 -9.590 -6.829 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.815 -10.133 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.675 -8.677 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.459 -9.720 -8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.547 -8.844 -7.271 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.037 -10.419 -7.939 1.00 0.00 H new ATOM 849 N ALA A 56 9.879 -8.201 -3.657 1.00 0.00 N ATOM 850 CA ALA A 56 9.004 -7.046 -3.284 1.00 0.00 C ATOM 851 C ALA A 56 9.746 -5.662 -3.438 1.00 0.00 C ATOM 852 O ALA A 56 9.231 -4.699 -3.961 1.00 0.00 O ATOM 853 CB ALA A 56 8.565 -7.374 -1.843 1.00 0.00 C ATOM 0 H ALA A 56 9.799 -8.998 -3.025 1.00 0.00 H new ATOM 0 HA ALA A 56 8.143 -6.926 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.914 -6.582 -1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.026 -8.321 -1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.444 -7.450 -1.203 1.00 0.00 H new ATOM 859 N LYS A 57 10.968 -5.570 -2.993 1.00 0.00 N ATOM 860 CA LYS A 57 11.759 -4.279 -3.098 1.00 0.00 C ATOM 861 C LYS A 57 12.173 -3.926 -4.543 1.00 0.00 C ATOM 862 O LYS A 57 12.684 -2.863 -4.814 1.00 0.00 O ATOM 863 CB LYS A 57 13.056 -4.358 -2.270 1.00 0.00 C ATOM 864 CG LYS A 57 12.963 -5.263 -1.009 1.00 0.00 C ATOM 865 CD LYS A 57 14.367 -5.286 -0.342 1.00 0.00 C ATOM 866 CE LYS A 57 15.451 -5.866 -1.278 1.00 0.00 C ATOM 867 NZ LYS A 57 15.822 -7.241 -0.819 1.00 0.00 N ATOM 0 H LYS A 57 11.473 -6.339 -2.552 1.00 0.00 H new ATOM 0 HA LYS A 57 11.086 -3.509 -2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.858 -4.728 -2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.335 -3.351 -1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.216 -4.877 -0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.653 -6.271 -1.283 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.645 -4.273 -0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.323 -5.879 0.571 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.081 -5.900 -2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.330 -5.221 -1.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.952 -7.859 -1.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.708 -7.198 -0.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.064 -7.622 -0.217 1.00 0.00 H new ATOM 881 N SER A 58 11.950 -4.847 -5.423 1.00 0.00 N ATOM 882 CA SER A 58 12.277 -4.664 -6.881 1.00 0.00 C ATOM 883 C SER A 58 10.947 -4.314 -7.573 1.00 0.00 C ATOM 884 O SER A 58 10.896 -4.068 -8.760 1.00 0.00 O ATOM 885 CB SER A 58 12.837 -5.964 -7.470 1.00 0.00 C ATOM 886 OG SER A 58 13.147 -5.620 -8.820 1.00 0.00 O ATOM 0 H SER A 58 11.541 -5.754 -5.199 1.00 0.00 H new ATOM 0 HA SER A 58 13.027 -3.886 -7.022 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.722 -6.300 -6.929 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.108 -6.772 -7.421 1.00 0.00 H new ATOM 0 HG SER A 58 12.459 -5.016 -9.170 1.00 0.00 H new ATOM 892 N LEU A 59 9.914 -4.311 -6.773 1.00 0.00 N ATOM 893 CA LEU A 59 8.527 -3.994 -7.209 1.00 0.00 C ATOM 894 C LEU A 59 8.169 -2.597 -6.608 1.00 0.00 C ATOM 895 O LEU A 59 7.631 -1.756 -7.301 1.00 0.00 O ATOM 896 CB LEU A 59 7.607 -5.132 -6.690 1.00 0.00 C ATOM 897 CG LEU A 59 6.124 -4.820 -6.971 1.00 0.00 C ATOM 898 CD1 LEU A 59 5.907 -4.597 -8.467 1.00 0.00 C ATOM 899 CD2 LEU A 59 5.309 -6.056 -6.580 1.00 0.00 C ATOM 0 H LEU A 59 9.985 -4.529 -5.779 1.00 0.00 H new ATOM 0 HA LEU A 59 8.409 -3.939 -8.291 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.881 -6.072 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.757 -5.265 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 59 5.828 -3.931 -6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.856 -4.377 -8.653 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.518 -3.759 -8.802 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.192 -5.496 -9.014 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.252 -5.869 -6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.636 -6.910 -7.173 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.458 -6.270 -5.522 1.00 0.00 H new ATOM 911 N SER A 60 8.468 -2.394 -5.344 1.00 0.00 N ATOM 912 CA SER A 60 8.164 -1.064 -4.695 1.00 0.00 C ATOM 913 C SER A 60 9.473 -0.374 -4.296 1.00 0.00 C ATOM 914 O SER A 60 10.353 -1.038 -3.775 1.00 0.00 O ATOM 915 CB SER A 60 7.293 -1.288 -3.466 1.00 0.00 C ATOM 916 OG SER A 60 6.053 -1.727 -4.013 1.00 0.00 O ATOM 0 H SER A 60 8.906 -3.083 -4.733 1.00 0.00 H new ATOM 0 HA SER A 60 7.630 -0.426 -5.400 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.724 -2.035 -2.799 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.174 -0.373 -2.886 1.00 0.00 H new ATOM 0 HG SER A 60 6.016 -2.706 -3.996 1.00 0.00 H new ATOM 922 N HIS A 61 9.524 0.915 -4.510 1.00 0.00 N ATOM 923 CA HIS A 61 10.707 1.817 -4.223 1.00 0.00 C ATOM 924 C HIS A 61 10.653 3.128 -5.058 1.00 0.00 C ATOM 925 O HIS A 61 9.800 3.275 -5.915 1.00 0.00 O ATOM 926 CB HIS A 61 12.019 1.056 -4.580 1.00 0.00 C ATOM 927 CG HIS A 61 11.922 0.521 -6.027 1.00 0.00 C ATOM 928 ND1 HIS A 61 12.310 -0.653 -6.371 1.00 0.00 N ATOM 929 CD2 HIS A 61 11.463 1.064 -7.221 1.00 0.00 C ATOM 930 CE1 HIS A 61 12.126 -0.846 -7.642 1.00 0.00 C ATOM 931 NE2 HIS A 61 11.598 0.204 -8.208 1.00 0.00 N ATOM 0 H HIS A 61 8.733 1.425 -4.903 1.00 0.00 H new ATOM 0 HA HIS A 61 10.678 2.083 -3.166 1.00 0.00 H new ATOM 0 HB2 HIS A 61 12.877 1.721 -4.483 1.00 0.00 H new ATOM 0 HB3 HIS A 61 12.175 0.231 -3.885 1.00 0.00 H new ATOM 0 HD1 HIS A 61 12.709 -1.341 -5.733 1.00 0.00 H new ATOM 0 HD2 HIS A 61 11.051 2.057 -7.325 1.00 0.00 H new ATOM 0 HE1 HIS A 61 12.378 -1.758 -8.163 1.00 0.00 H new ATOM 939 N LYS A 62 11.563 4.036 -4.789 1.00 0.00 N ATOM 940 CA LYS A 62 11.649 5.357 -5.527 1.00 0.00 C ATOM 941 C LYS A 62 12.381 6.571 -4.938 1.00 0.00 C ATOM 942 O LYS A 62 13.045 7.254 -5.696 1.00 0.00 O ATOM 943 CB LYS A 62 10.237 5.948 -5.881 1.00 0.00 C ATOM 944 CG LYS A 62 10.073 6.059 -7.437 1.00 0.00 C ATOM 945 CD LYS A 62 11.236 6.933 -8.095 1.00 0.00 C ATOM 946 CE LYS A 62 11.211 8.418 -7.673 1.00 0.00 C ATOM 947 NZ LYS A 62 12.622 8.883 -7.496 1.00 0.00 N ATOM 0 H LYS A 62 12.275 3.920 -4.068 1.00 0.00 H new ATOM 0 HA LYS A 62 12.258 4.981 -6.349 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.454 5.311 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.121 6.931 -5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.076 5.061 -7.875 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.106 6.506 -7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.200 6.503 -7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.155 6.871 -9.180 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.706 9.019 -8.429 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.653 8.539 -6.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.660 9.919 -7.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.965 8.601 -6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.224 8.453 -8.227 1.00 0.00 H new ATOM 961 N GLN A 63 12.247 6.806 -3.667 1.00 0.00 N ATOM 962 CA GLN A 63 12.879 7.965 -2.956 1.00 0.00 C ATOM 963 C GLN A 63 12.660 9.372 -3.603 1.00 0.00 C ATOM 964 O GLN A 63 12.811 9.575 -4.792 1.00 0.00 O ATOM 965 CB GLN A 63 14.358 7.556 -2.819 1.00 0.00 C ATOM 966 CG GLN A 63 14.418 6.317 -1.845 1.00 0.00 C ATOM 967 CD GLN A 63 15.827 5.792 -1.660 1.00 0.00 C ATOM 968 OE1 GLN A 63 16.502 5.391 -2.575 1.00 0.00 O ATOM 969 NE2 GLN A 63 16.356 5.755 -0.491 1.00 0.00 N ATOM 0 H GLN A 63 11.694 6.210 -3.052 1.00 0.00 H new ATOM 0 HA GLN A 63 12.398 8.133 -1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.777 7.300 -3.792 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.950 8.382 -2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.009 6.601 -0.875 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.785 5.520 -2.236 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.828 6.082 0.318 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.304 5.398 -0.371 1.00 0.00 H new ATOM 978 N LEU A 64 12.274 10.324 -2.794 1.00 0.00 N ATOM 979 CA LEU A 64 12.008 11.741 -3.266 1.00 0.00 C ATOM 980 C LEU A 64 11.151 11.837 -4.590 1.00 0.00 C ATOM 981 O LEU A 64 11.647 12.032 -5.685 1.00 0.00 O ATOM 982 CB LEU A 64 13.403 12.427 -3.437 1.00 0.00 C ATOM 983 CG LEU A 64 14.061 12.796 -2.081 1.00 0.00 C ATOM 984 CD1 LEU A 64 14.465 11.557 -1.277 1.00 0.00 C ATOM 985 CD2 LEU A 64 15.344 13.563 -2.381 1.00 0.00 C ATOM 0 H LEU A 64 12.124 10.186 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 64 11.394 12.249 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.066 11.760 -3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.288 13.329 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 64 13.339 13.372 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 64 14.921 11.866 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 64 13.581 10.953 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.181 10.968 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.831 13.837 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 64 16.014 12.935 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 64 15.105 14.465 -2.944 1.00 0.00 H new ATOM 997 N LEU A 65 9.848 11.692 -4.503 1.00 0.00 N ATOM 998 CA LEU A 65 9.000 11.774 -5.750 1.00 0.00 C ATOM 999 C LEU A 65 8.674 13.234 -6.178 1.00 0.00 C ATOM 1000 O LEU A 65 7.589 13.752 -6.008 1.00 0.00 O ATOM 1001 CB LEU A 65 7.688 10.974 -5.484 1.00 0.00 C ATOM 1002 CG LEU A 65 7.044 10.340 -6.744 1.00 0.00 C ATOM 1003 CD1 LEU A 65 6.996 11.314 -7.909 1.00 0.00 C ATOM 1004 CD2 LEU A 65 7.846 9.131 -7.191 1.00 0.00 C ATOM 0 H LEU A 65 9.336 11.523 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 65 9.563 11.347 -6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.901 10.183 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.962 11.640 -5.018 1.00 0.00 H new ATOM 0 HG LEU A 65 6.028 10.058 -6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.537 10.829 -8.770 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.407 12.188 -7.629 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.009 11.626 -8.165 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.384 8.695 -8.076 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.865 9.437 -7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.866 8.391 -6.391 1.00 0.00 H new ATOM 1016 N MET A 66 9.660 13.865 -6.744 1.00 0.00 N ATOM 1017 CA MET A 66 9.518 15.290 -7.231 1.00 0.00 C ATOM 1018 C MET A 66 9.198 15.266 -8.760 1.00 0.00 C ATOM 1019 O MET A 66 9.505 16.127 -9.556 1.00 0.00 O ATOM 1020 CB MET A 66 10.852 15.927 -6.893 1.00 0.00 C ATOM 1021 CG MET A 66 10.856 17.453 -7.119 1.00 0.00 C ATOM 1022 SD MET A 66 12.400 18.292 -6.691 1.00 0.00 S ATOM 1023 CE MET A 66 12.036 18.641 -4.953 1.00 0.00 C ATOM 0 H MET A 66 10.582 13.457 -6.899 1.00 0.00 H new ATOM 0 HA MET A 66 8.707 15.857 -6.773 1.00 0.00 H new ATOM 0 HB2 MET A 66 11.097 15.717 -5.852 1.00 0.00 H new ATOM 0 HB3 MET A 66 11.633 15.471 -7.502 1.00 0.00 H new ATOM 0 HG2 MET A 66 10.633 17.649 -8.168 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.048 17.893 -6.534 1.00 0.00 H new ATOM 0 HE1 MET A 66 12.880 19.164 -4.502 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.145 19.265 -4.886 1.00 0.00 H new ATOM 0 HE3 MET A 66 11.864 17.705 -4.422 1.00 0.00 H new ATOM 1033 N SER A 67 8.543 14.200 -9.092 1.00 0.00 N ATOM 1034 CA SER A 67 8.087 13.876 -10.498 1.00 0.00 C ATOM 1035 C SER A 67 6.539 13.894 -10.668 1.00 0.00 C ATOM 1036 O SER A 67 5.917 12.853 -10.608 1.00 0.00 O ATOM 1037 CB SER A 67 8.625 12.472 -10.874 1.00 0.00 C ATOM 1038 OG SER A 67 10.008 12.485 -10.511 1.00 0.00 O ATOM 0 H SER A 67 8.281 13.485 -8.413 1.00 0.00 H new ATOM 0 HA SER A 67 8.481 14.651 -11.156 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.086 11.689 -10.340 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.500 12.276 -11.939 1.00 0.00 H new ATOM 0 HG SER A 67 10.410 11.617 -10.724 1.00 0.00 H new ATOM 1044 N PRO A 68 5.927 15.043 -10.861 1.00 0.00 N ATOM 1045 CA PRO A 68 4.459 15.113 -11.198 1.00 0.00 C ATOM 1046 C PRO A 68 3.965 14.030 -12.216 1.00 0.00 C ATOM 1047 O PRO A 68 4.511 13.876 -13.292 1.00 0.00 O ATOM 1048 CB PRO A 68 4.301 16.590 -11.675 1.00 0.00 C ATOM 1049 CG PRO A 68 5.764 17.047 -11.959 1.00 0.00 C ATOM 1050 CD PRO A 68 6.549 16.396 -10.820 1.00 0.00 C ATOM 0 HA PRO A 68 3.815 14.872 -10.352 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.680 16.658 -12.568 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.830 17.209 -10.911 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.111 16.708 -12.935 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.858 18.133 -11.946 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.623 16.373 -11.007 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.402 16.899 -9.864 1.00 0.00 H new ATOM 1058 N GLY A 69 2.948 13.284 -11.871 1.00 0.00 N ATOM 1059 CA GLY A 69 2.411 12.215 -12.801 1.00 0.00 C ATOM 1060 C GLY A 69 3.184 10.907 -12.640 1.00 0.00 C ATOM 1061 O GLY A 69 2.681 9.951 -12.091 1.00 0.00 O ATOM 0 H GLY A 69 2.455 13.361 -10.981 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.355 12.045 -12.593 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.481 12.558 -13.833 1.00 0.00 H new ATOM 1065 N GLN A 70 4.388 10.961 -13.135 1.00 0.00 N ATOM 1066 CA GLN A 70 5.391 9.827 -13.125 1.00 0.00 C ATOM 1067 C GLN A 70 5.017 8.502 -12.376 1.00 0.00 C ATOM 1068 O GLN A 70 5.221 8.379 -11.185 1.00 0.00 O ATOM 1069 CB GLN A 70 6.679 10.450 -12.553 1.00 0.00 C ATOM 1070 CG GLN A 70 7.887 9.451 -12.667 1.00 0.00 C ATOM 1071 CD GLN A 70 8.303 9.216 -14.112 1.00 0.00 C ATOM 1072 OE1 GLN A 70 7.574 8.732 -14.940 1.00 0.00 O ATOM 1073 NE2 GLN A 70 9.482 9.542 -14.495 1.00 0.00 N ATOM 0 H GLN A 70 4.752 11.803 -13.581 1.00 0.00 H new ATOM 0 HA GLN A 70 5.470 9.454 -14.146 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.911 11.370 -13.089 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.524 10.721 -11.509 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.735 9.843 -12.106 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.614 8.500 -12.210 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.137 9.956 -13.832 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.765 9.388 -15.463 1.00 0.00 H new ATOM 1082 N SER A 71 4.488 7.538 -13.083 1.00 0.00 N ATOM 1083 CA SER A 71 4.094 6.228 -12.424 1.00 0.00 C ATOM 1084 C SER A 71 4.890 4.965 -12.825 1.00 0.00 C ATOM 1085 O SER A 71 5.654 4.941 -13.766 1.00 0.00 O ATOM 1086 CB SER A 71 2.651 5.948 -12.724 1.00 0.00 C ATOM 1087 OG SER A 71 2.340 4.860 -11.853 1.00 0.00 O ATOM 0 H SER A 71 4.307 7.588 -14.086 1.00 0.00 H new ATOM 0 HA SER A 71 4.315 6.394 -11.370 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.023 6.816 -12.524 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.502 5.681 -13.770 1.00 0.00 H new ATOM 0 HG SER A 71 2.690 5.048 -10.957 1.00 0.00 H new ATOM 1093 N THR A 72 4.672 3.921 -12.078 1.00 0.00 N ATOM 1094 CA THR A 72 5.352 2.590 -12.305 1.00 0.00 C ATOM 1095 C THR A 72 4.404 1.437 -12.715 1.00 0.00 C ATOM 1096 O THR A 72 3.977 0.622 -11.923 1.00 0.00 O ATOM 1097 CB THR A 72 6.147 2.222 -10.999 1.00 0.00 C ATOM 1098 OG1 THR A 72 6.614 0.893 -11.179 1.00 0.00 O ATOM 1099 CG2 THR A 72 5.314 2.087 -9.743 1.00 0.00 C ATOM 0 H THR A 72 4.028 3.924 -11.287 1.00 0.00 H new ATOM 0 HA THR A 72 6.017 2.708 -13.160 1.00 0.00 H new ATOM 0 HB THR A 72 6.880 3.019 -10.871 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.121 0.614 -10.388 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.960 1.832 -8.903 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.809 3.031 -9.538 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.572 1.301 -9.881 1.00 0.00 H new ATOM 1107 N SER A 73 4.071 1.387 -13.977 1.00 0.00 N ATOM 1108 CA SER A 73 3.154 0.294 -14.488 1.00 0.00 C ATOM 1109 C SER A 73 4.003 -0.985 -14.548 1.00 0.00 C ATOM 1110 O SER A 73 4.552 -1.357 -15.569 1.00 0.00 O ATOM 1111 CB SER A 73 2.630 0.678 -15.894 1.00 0.00 C ATOM 1112 OG SER A 73 3.801 0.970 -16.652 1.00 0.00 O ATOM 0 H SER A 73 4.387 2.049 -14.685 1.00 0.00 H new ATOM 0 HA SER A 73 2.287 0.149 -13.843 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.063 -0.138 -16.341 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.965 1.540 -15.846 1.00 0.00 H new ATOM 0 HG SER A 73 4.361 0.168 -16.710 1.00 0.00 H new ATOM 1118 N THR A 74 4.073 -1.630 -13.424 1.00 0.00 N ATOM 1119 CA THR A 74 4.886 -2.902 -13.309 1.00 0.00 C ATOM 1120 C THR A 74 4.097 -4.211 -13.265 1.00 0.00 C ATOM 1121 O THR A 74 3.019 -4.281 -12.719 1.00 0.00 O ATOM 1122 CB THR A 74 5.752 -2.752 -12.047 1.00 0.00 C ATOM 1123 OG1 THR A 74 6.721 -1.802 -12.461 1.00 0.00 O ATOM 1124 CG2 THR A 74 6.672 -3.927 -11.806 1.00 0.00 C ATOM 0 H THR A 74 3.605 -1.342 -12.565 1.00 0.00 H new ATOM 0 HA THR A 74 5.467 -2.999 -14.226 1.00 0.00 H new ATOM 0 HB THR A 74 5.100 -2.568 -11.193 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.604 -0.973 -11.952 1.00 0.00 H new ATOM 0 HG21 THR A 74 7.253 -3.754 -10.900 1.00 0.00 H new ATOM 0 HG22 THR A 74 6.080 -4.835 -11.690 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.347 -4.040 -12.654 1.00 0.00 H new ATOM 1132 N THR A 75 4.675 -5.232 -13.842 1.00 0.00 N ATOM 1133 CA THR A 75 4.024 -6.607 -13.899 1.00 0.00 C ATOM 1134 C THR A 75 4.628 -7.652 -12.955 1.00 0.00 C ATOM 1135 O THR A 75 5.641 -7.449 -12.313 1.00 0.00 O ATOM 1136 CB THR A 75 4.113 -7.187 -15.353 1.00 0.00 C ATOM 1137 OG1 THR A 75 3.396 -8.411 -15.325 1.00 0.00 O ATOM 1138 CG2 THR A 75 5.496 -7.699 -15.728 1.00 0.00 C ATOM 0 H THR A 75 5.590 -5.185 -14.290 1.00 0.00 H new ATOM 0 HA THR A 75 2.997 -6.433 -13.579 1.00 0.00 H new ATOM 0 HB THR A 75 3.781 -6.394 -16.023 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.442 -8.228 -15.196 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.477 -8.084 -16.748 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.216 -6.884 -15.661 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.786 -8.497 -15.044 1.00 0.00 H new ATOM 1146 N PHE A 76 3.965 -8.767 -12.918 1.00 0.00 N ATOM 1147 CA PHE A 76 4.375 -9.931 -12.067 1.00 0.00 C ATOM 1148 C PHE A 76 4.759 -11.119 -12.995 1.00 0.00 C ATOM 1149 O PHE A 76 4.528 -11.042 -14.187 1.00 0.00 O ATOM 1150 CB PHE A 76 3.147 -10.223 -11.144 1.00 0.00 C ATOM 1151 CG PHE A 76 2.685 -8.852 -10.627 1.00 0.00 C ATOM 1152 CD1 PHE A 76 3.540 -8.096 -9.857 1.00 0.00 C ATOM 1153 CD2 PHE A 76 1.447 -8.339 -10.954 1.00 0.00 C ATOM 1154 CE1 PHE A 76 3.174 -6.847 -9.424 1.00 0.00 C ATOM 1155 CE2 PHE A 76 1.076 -7.085 -10.521 1.00 0.00 C ATOM 1156 CZ PHE A 76 1.942 -6.339 -9.757 1.00 0.00 C ATOM 0 H PHE A 76 3.119 -8.934 -13.463 1.00 0.00 H new ATOM 0 HA PHE A 76 5.252 -9.743 -11.447 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.351 -10.722 -11.697 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.424 -10.880 -10.320 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.509 -8.491 -9.591 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.765 -8.924 -11.553 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.854 -6.263 -8.822 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.106 -6.688 -10.781 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.654 -5.355 -9.419 1.00 0.00 H new ATOM 1166 N PRO A 77 5.336 -12.164 -12.449 1.00 0.00 N ATOM 1167 CA PRO A 77 5.508 -13.459 -13.169 1.00 0.00 C ATOM 1168 C PRO A 77 4.397 -14.498 -12.807 1.00 0.00 C ATOM 1169 O PRO A 77 3.263 -14.124 -12.574 1.00 0.00 O ATOM 1170 CB PRO A 77 6.929 -13.779 -12.741 1.00 0.00 C ATOM 1171 CG PRO A 77 6.858 -13.488 -11.213 1.00 0.00 C ATOM 1172 CD PRO A 77 5.946 -12.228 -11.089 1.00 0.00 C ATOM 0 HA PRO A 77 5.388 -13.451 -14.252 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.199 -14.814 -12.951 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.662 -13.150 -13.246 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.440 -14.334 -10.668 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.849 -13.301 -10.799 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.194 -12.342 -10.308 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.517 -11.330 -10.854 1.00 0.00 H new ATOM 1180 N ALA A 78 4.730 -15.759 -12.750 1.00 0.00 N ATOM 1181 CA ALA A 78 3.715 -16.830 -12.415 1.00 0.00 C ATOM 1182 C ALA A 78 3.931 -17.359 -10.972 1.00 0.00 C ATOM 1183 O ALA A 78 3.011 -17.625 -10.229 1.00 0.00 O ATOM 1184 CB ALA A 78 3.895 -17.929 -13.487 1.00 0.00 C ATOM 0 H ALA A 78 5.673 -16.109 -12.922 1.00 0.00 H new ATOM 0 HA ALA A 78 2.693 -16.451 -12.431 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.187 -18.737 -13.302 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.713 -17.507 -14.475 1.00 0.00 H new ATOM 0 HB3 ALA A 78 4.912 -18.319 -13.441 1.00 0.00 H new ATOM 1190 N ASP A 79 5.184 -17.476 -10.687 1.00 0.00 N ATOM 1191 CA ASP A 79 5.781 -17.943 -9.402 1.00 0.00 C ATOM 1192 C ASP A 79 5.415 -17.012 -8.191 1.00 0.00 C ATOM 1193 O ASP A 79 4.566 -17.314 -7.376 1.00 0.00 O ATOM 1194 CB ASP A 79 7.320 -18.021 -9.753 1.00 0.00 C ATOM 1195 CG ASP A 79 7.800 -16.767 -10.481 1.00 0.00 C ATOM 1196 OD1 ASP A 79 7.546 -16.702 -11.670 1.00 0.00 O ATOM 1197 OD2 ASP A 79 8.374 -15.937 -9.812 1.00 0.00 O ATOM 0 H ASP A 79 5.902 -17.240 -11.372 1.00 0.00 H new ATOM 0 HA ASP A 79 5.400 -18.902 -9.052 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.896 -18.152 -8.837 1.00 0.00 H new ATOM 0 HB3 ASP A 79 7.507 -18.896 -10.375 1.00 0.00 H new ATOM 1202 N ALA A 80 6.089 -15.901 -8.124 1.00 0.00 N ATOM 1203 CA ALA A 80 5.901 -14.859 -7.060 1.00 0.00 C ATOM 1204 C ALA A 80 4.449 -14.574 -6.534 1.00 0.00 C ATOM 1205 O ALA A 80 4.207 -14.578 -5.342 1.00 0.00 O ATOM 1206 CB ALA A 80 6.553 -13.571 -7.632 1.00 0.00 C ATOM 0 H ALA A 80 6.808 -15.654 -8.804 1.00 0.00 H new ATOM 0 HA ALA A 80 6.365 -15.246 -6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.455 -12.762 -6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.609 -13.755 -7.830 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.053 -13.291 -8.559 1.00 0.00 H new ATOM 1212 N PRO A 81 3.509 -14.315 -7.416 1.00 0.00 N ATOM 1213 CA PRO A 81 2.345 -13.460 -7.084 1.00 0.00 C ATOM 1214 C PRO A 81 1.043 -14.185 -6.612 1.00 0.00 C ATOM 1215 O PRO A 81 0.017 -14.118 -7.264 1.00 0.00 O ATOM 1216 CB PRO A 81 2.220 -12.667 -8.381 1.00 0.00 C ATOM 1217 CG PRO A 81 2.421 -13.799 -9.446 1.00 0.00 C ATOM 1218 CD PRO A 81 3.453 -14.787 -8.826 1.00 0.00 C ATOM 0 HA PRO A 81 2.495 -12.856 -6.189 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.249 -12.181 -8.475 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.977 -11.886 -8.461 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.479 -14.303 -9.663 1.00 0.00 H new ATOM 0 HG3 PRO A 81 2.788 -13.390 -10.387 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.123 -15.823 -8.898 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.424 -14.727 -9.317 1.00 0.00 H new ATOM 1226 N ALA A 82 1.134 -14.848 -5.497 1.00 0.00 N ATOM 1227 CA ALA A 82 -0.037 -15.599 -4.913 1.00 0.00 C ATOM 1228 C ALA A 82 -0.475 -15.092 -3.493 1.00 0.00 C ATOM 1229 O ALA A 82 0.147 -15.415 -2.496 1.00 0.00 O ATOM 1230 CB ALA A 82 0.407 -17.073 -4.916 1.00 0.00 C ATOM 0 H ALA A 82 1.988 -14.909 -4.943 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.939 -15.442 -5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.389 -17.694 -4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.621 -17.386 -5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.304 -17.184 -4.307 1.00 0.00 H new ATOM 1236 N GLY A 83 -1.526 -14.309 -3.402 1.00 0.00 N ATOM 1237 CA GLY A 83 -1.994 -13.786 -2.055 1.00 0.00 C ATOM 1238 C GLY A 83 -1.853 -12.268 -2.004 1.00 0.00 C ATOM 1239 O GLY A 83 -1.861 -11.631 -3.038 1.00 0.00 O ATOM 0 H GLY A 83 -2.087 -14.004 -4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.033 -14.068 -1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.408 -14.240 -1.256 1.00 0.00 H new ATOM 1243 N GLU A 84 -1.745 -11.707 -0.834 1.00 0.00 N ATOM 1244 CA GLU A 84 -1.600 -10.218 -0.761 1.00 0.00 C ATOM 1245 C GLU A 84 -0.253 -9.654 -0.250 1.00 0.00 C ATOM 1246 O GLU A 84 0.499 -10.275 0.481 1.00 0.00 O ATOM 1247 CB GLU A 84 -2.775 -9.715 0.095 1.00 0.00 C ATOM 1248 CG GLU A 84 -2.792 -10.351 1.526 1.00 0.00 C ATOM 1249 CD GLU A 84 -4.101 -10.016 2.176 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -5.073 -10.623 1.783 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -4.116 -9.134 3.006 1.00 0.00 O ATOM 0 H GLU A 84 -1.750 -12.197 0.060 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.612 -9.848 -1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.717 -8.630 0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.713 -9.943 -0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.666 -11.432 1.462 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.963 -9.968 2.122 1.00 0.00 H new ATOM 1258 N TYR A 85 0.001 -8.458 -0.712 1.00 0.00 N ATOM 1259 CA TYR A 85 1.259 -7.705 -0.350 1.00 0.00 C ATOM 1260 C TYR A 85 1.002 -6.396 0.503 1.00 0.00 C ATOM 1261 O TYR A 85 0.518 -6.473 1.609 1.00 0.00 O ATOM 1262 CB TYR A 85 1.970 -7.420 -1.735 1.00 0.00 C ATOM 1263 CG TYR A 85 1.773 -8.553 -2.750 1.00 0.00 C ATOM 1264 CD1 TYR A 85 1.783 -9.884 -2.391 1.00 0.00 C ATOM 1265 CD2 TYR A 85 1.555 -8.219 -4.067 1.00 0.00 C ATOM 1266 CE1 TYR A 85 1.568 -10.860 -3.340 1.00 0.00 C ATOM 1267 CE2 TYR A 85 1.343 -9.200 -5.009 1.00 0.00 C ATOM 1268 CZ TYR A 85 1.349 -10.517 -4.641 1.00 0.00 C ATOM 1269 OH TYR A 85 1.131 -11.493 -5.573 1.00 0.00 O ATOM 0 H TYR A 85 -0.621 -7.952 -1.342 1.00 0.00 H new ATOM 0 HA TYR A 85 1.891 -8.293 0.316 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.581 -6.492 -2.154 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.037 -7.271 -1.567 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.960 -10.163 -1.363 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.550 -7.180 -4.363 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.573 -11.901 -3.052 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.172 -8.929 -6.040 1.00 0.00 H new ATOM 0 HH TYR A 85 0.293 -11.959 -5.369 1.00 0.00 H new ATOM 1279 N THR A 86 1.330 -5.254 -0.064 1.00 0.00 N ATOM 1280 CA THR A 86 1.200 -3.834 0.499 1.00 0.00 C ATOM 1281 C THR A 86 2.319 -2.875 0.067 1.00 0.00 C ATOM 1282 O THR A 86 3.492 -3.114 0.268 1.00 0.00 O ATOM 1283 CB THR A 86 1.215 -3.749 2.041 1.00 0.00 C ATOM 1284 OG1 THR A 86 -0.084 -4.172 2.405 1.00 0.00 O ATOM 1285 CG2 THR A 86 1.032 -2.319 2.550 1.00 0.00 C ATOM 0 H THR A 86 1.729 -5.241 -1.003 1.00 0.00 H new ATOM 0 HA THR A 86 0.233 -3.544 0.088 1.00 0.00 H new ATOM 0 HB THR A 86 2.117 -4.249 2.392 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.166 -5.138 2.260 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.050 -2.316 3.640 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.839 -1.692 2.172 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.076 -1.928 2.202 1.00 0.00 H new ATOM 1293 N PHE A 87 1.917 -1.792 -0.542 1.00 0.00 N ATOM 1294 CA PHE A 87 2.897 -0.766 -1.007 1.00 0.00 C ATOM 1295 C PHE A 87 3.167 0.210 0.164 1.00 0.00 C ATOM 1296 O PHE A 87 2.256 0.607 0.869 1.00 0.00 O ATOM 1297 CB PHE A 87 2.308 0.013 -2.207 1.00 0.00 C ATOM 1298 CG PHE A 87 1.855 -0.888 -3.361 1.00 0.00 C ATOM 1299 CD1 PHE A 87 2.597 -1.973 -3.771 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.682 -0.595 -4.020 1.00 0.00 C ATOM 1301 CE1 PHE A 87 2.174 -2.753 -4.826 1.00 0.00 C ATOM 1302 CE2 PHE A 87 0.253 -1.368 -5.072 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.001 -2.446 -5.475 1.00 0.00 C ATOM 0 H PHE A 87 0.941 -1.571 -0.740 1.00 0.00 H new ATOM 0 HA PHE A 87 3.824 -1.246 -1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.459 0.604 -1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.056 0.714 -2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.518 -2.215 -3.262 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.092 0.253 -3.706 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.762 -3.602 -5.142 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.669 -1.128 -5.580 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.668 -3.054 -6.303 1.00 0.00 H new ATOM 1313 N TYR A 88 4.403 0.576 0.313 1.00 0.00 N ATOM 1314 CA TYR A 88 4.888 1.495 1.378 1.00 0.00 C ATOM 1315 C TYR A 88 5.307 2.953 1.019 1.00 0.00 C ATOM 1316 O TYR A 88 6.476 3.149 0.768 1.00 0.00 O ATOM 1317 CB TYR A 88 6.060 0.751 2.009 1.00 0.00 C ATOM 1318 CG TYR A 88 6.211 1.327 3.367 1.00 0.00 C ATOM 1319 CD1 TYR A 88 6.879 2.497 3.580 1.00 0.00 C ATOM 1320 CD2 TYR A 88 5.623 0.677 4.393 1.00 0.00 C ATOM 1321 CE1 TYR A 88 6.943 3.014 4.832 1.00 0.00 C ATOM 1322 CE2 TYR A 88 5.682 1.179 5.646 1.00 0.00 C ATOM 1323 CZ TYR A 88 6.344 2.360 5.890 1.00 0.00 C ATOM 1324 OH TYR A 88 6.391 2.872 7.162 1.00 0.00 O ATOM 0 H TYR A 88 5.148 0.252 -0.304 1.00 0.00 H new ATOM 0 HA TYR A 88 4.031 1.700 2.019 1.00 0.00 H new ATOM 0 HB2 TYR A 88 5.865 -0.320 2.057 1.00 0.00 H new ATOM 0 HB3 TYR A 88 6.970 0.883 1.423 1.00 0.00 H new ATOM 0 HD1 TYR A 88 7.354 3.009 2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 88 5.102 -0.251 4.211 1.00 0.00 H new ATOM 0 HE1 TYR A 88 7.466 3.943 5.003 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.207 0.651 6.460 1.00 0.00 H new ATOM 0 HH TYR A 88 5.913 2.273 7.773 1.00 0.00 H new ATOM 1334 N CYS A 89 4.455 3.949 0.989 1.00 0.00 N ATOM 1335 CA CYS A 89 4.992 5.327 0.620 1.00 0.00 C ATOM 1336 C CYS A 89 6.014 5.963 1.614 1.00 0.00 C ATOM 1337 O CYS A 89 5.652 6.694 2.518 1.00 0.00 O ATOM 1338 CB CYS A 89 3.798 6.308 0.421 1.00 0.00 C ATOM 1339 SG CYS A 89 4.228 7.810 -0.501 1.00 0.00 S ATOM 0 H CYS A 89 3.457 3.891 1.191 1.00 0.00 H new ATOM 0 HA CYS A 89 5.558 5.165 -0.297 1.00 0.00 H new ATOM 0 HB2 CYS A 89 2.997 5.788 -0.104 1.00 0.00 H new ATOM 0 HB3 CYS A 89 3.407 6.592 1.398 1.00 0.00 H new ATOM 1344 N GLU A 90 7.250 5.624 1.383 1.00 0.00 N ATOM 1345 CA GLU A 90 8.460 6.068 2.153 1.00 0.00 C ATOM 1346 C GLU A 90 8.272 7.300 3.129 1.00 0.00 C ATOM 1347 O GLU A 90 8.156 7.073 4.319 1.00 0.00 O ATOM 1348 CB GLU A 90 9.536 6.291 1.029 1.00 0.00 C ATOM 1349 CG GLU A 90 9.930 4.987 0.200 1.00 0.00 C ATOM 1350 CD GLU A 90 10.724 5.352 -1.062 1.00 0.00 C ATOM 1351 OE1 GLU A 90 11.474 6.297 -0.978 1.00 0.00 O ATOM 1352 OE2 GLU A 90 10.581 4.700 -2.080 1.00 0.00 O ATOM 0 H GLU A 90 7.494 4.996 0.617 1.00 0.00 H new ATOM 0 HA GLU A 90 8.749 5.317 2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.163 7.044 0.335 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.438 6.698 1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.523 4.320 0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.027 4.444 -0.079 1.00 0.00 H new ATOM 1359 N PRO A 91 8.227 8.545 2.672 1.00 0.00 N ATOM 1360 CA PRO A 91 8.069 9.747 3.565 1.00 0.00 C ATOM 1361 C PRO A 91 6.594 10.167 3.829 1.00 0.00 C ATOM 1362 O PRO A 91 6.312 11.273 4.247 1.00 0.00 O ATOM 1363 CB PRO A 91 8.858 10.790 2.813 1.00 0.00 C ATOM 1364 CG PRO A 91 8.301 10.529 1.376 1.00 0.00 C ATOM 1365 CD PRO A 91 8.351 8.987 1.249 1.00 0.00 C ATOM 0 HA PRO A 91 8.421 9.567 4.581 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.659 11.803 3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.935 10.634 2.882 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.286 10.909 1.263 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.910 11.015 0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.538 8.603 0.632 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.283 8.646 0.797 1.00 0.00 H new ATOM 1373 N HIS A 92 5.676 9.282 3.582 1.00 0.00 N ATOM 1374 CA HIS A 92 4.211 9.577 3.795 1.00 0.00 C ATOM 1375 C HIS A 92 3.430 8.609 4.690 1.00 0.00 C ATOM 1376 O HIS A 92 2.511 9.023 5.364 1.00 0.00 O ATOM 1377 CB HIS A 92 3.521 9.610 2.440 1.00 0.00 C ATOM 1378 CG HIS A 92 3.802 10.850 1.624 1.00 0.00 C ATOM 1379 ND1 HIS A 92 3.464 10.828 0.352 1.00 0.00 N ATOM 1380 CD2 HIS A 92 4.346 12.075 1.962 1.00 0.00 C ATOM 1381 CE1 HIS A 92 3.793 12.025 -0.091 1.00 0.00 C ATOM 1382 NE2 HIS A 92 4.302 12.741 0.851 1.00 0.00 N ATOM 0 H HIS A 92 5.870 8.343 3.234 1.00 0.00 H new ATOM 0 HA HIS A 92 4.203 10.530 4.325 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.831 8.736 1.867 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.445 9.527 2.592 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.719 12.400 2.922 1.00 0.00 H new ATOM 0 HE1 HIS A 92 3.654 12.361 -1.108 1.00 0.00 H new ATOM 0 HE2 HIS A 92 4.626 13.701 0.738 1.00 0.00 H new ATOM 1390 N ARG A 93 3.789 7.353 4.655 1.00 0.00 N ATOM 1391 CA ARG A 93 3.098 6.292 5.485 1.00 0.00 C ATOM 1392 C ARG A 93 2.209 6.770 6.661 1.00 0.00 C ATOM 1393 O ARG A 93 1.101 6.300 6.793 1.00 0.00 O ATOM 1394 CB ARG A 93 4.173 5.307 6.006 1.00 0.00 C ATOM 1395 CG ARG A 93 3.443 3.930 6.087 1.00 0.00 C ATOM 1396 CD ARG A 93 3.310 3.361 4.656 1.00 0.00 C ATOM 1397 NE ARG A 93 2.189 2.357 4.684 1.00 0.00 N ATOM 1398 CZ ARG A 93 2.447 1.123 4.594 1.00 0.00 C ATOM 1399 NH1 ARG A 93 2.688 0.519 5.652 1.00 0.00 N ATOM 1400 NH2 ARG A 93 2.455 0.571 3.480 1.00 0.00 N ATOM 0 H ARG A 93 4.550 6.999 4.075 1.00 0.00 H new ATOM 0 HA ARG A 93 2.382 5.829 4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.029 5.262 5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.551 5.613 6.982 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.004 3.241 6.718 1.00 0.00 H new ATOM 0 HG3 ARG A 93 2.459 4.049 6.540 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.097 4.157 3.943 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.241 2.891 4.340 1.00 0.00 H new ATOM 0 HE ARG A 93 1.223 2.672 4.775 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.672 1.020 6.540 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.902 -0.478 5.633 1.00 0.00 H new ATOM 0 HH21 ARG A 93 2.254 1.114 2.640 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.663 -0.425 3.406 1.00 0.00 H new ATOM 1414 N GLY A 94 2.703 7.662 7.478 1.00 0.00 N ATOM 1415 CA GLY A 94 1.917 8.218 8.657 1.00 0.00 C ATOM 1416 C GLY A 94 0.407 8.382 8.380 1.00 0.00 C ATOM 1417 O GLY A 94 -0.411 8.201 9.255 1.00 0.00 O ATOM 0 H GLY A 94 3.643 8.048 7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 94 2.050 7.557 9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.333 9.187 8.934 1.00 0.00 H new ATOM 1421 N ALA A 95 0.084 8.725 7.160 1.00 0.00 N ATOM 1422 CA ALA A 95 -1.358 8.917 6.758 1.00 0.00 C ATOM 1423 C ALA A 95 -1.997 7.700 6.000 1.00 0.00 C ATOM 1424 O ALA A 95 -2.898 7.809 5.193 1.00 0.00 O ATOM 1425 CB ALA A 95 -1.371 10.213 5.915 1.00 0.00 C ATOM 0 H ALA A 95 0.759 8.884 6.412 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.987 8.992 7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.388 10.422 5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.009 11.044 6.520 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.725 10.088 5.046 1.00 0.00 H new ATOM 1431 N GLY A 96 -1.479 6.543 6.291 1.00 0.00 N ATOM 1432 CA GLY A 96 -1.950 5.243 5.688 1.00 0.00 C ATOM 1433 C GLY A 96 -1.071 4.646 4.595 1.00 0.00 C ATOM 1434 O GLY A 96 -0.403 3.647 4.784 1.00 0.00 O ATOM 0 H GLY A 96 -0.711 6.430 6.953 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.045 4.510 6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.948 5.398 5.278 1.00 0.00 H new ATOM 1438 N MET A 97 -1.082 5.306 3.471 1.00 0.00 N ATOM 1439 CA MET A 97 -0.284 4.865 2.254 1.00 0.00 C ATOM 1440 C MET A 97 -0.003 3.313 2.180 1.00 0.00 C ATOM 1441 O MET A 97 1.119 2.846 2.070 1.00 0.00 O ATOM 1442 CB MET A 97 1.037 5.659 2.284 1.00 0.00 C ATOM 1443 CG MET A 97 0.859 7.192 2.077 1.00 0.00 C ATOM 1444 SD MET A 97 0.944 7.809 0.373 1.00 0.00 S ATOM 1445 CE MET A 97 -0.806 8.112 0.040 1.00 0.00 C ATOM 0 H MET A 97 -1.622 6.159 3.325 1.00 0.00 H new ATOM 0 HA MET A 97 -0.874 5.071 1.361 1.00 0.00 H new ATOM 0 HB2 MET A 97 1.531 5.487 3.240 1.00 0.00 H new ATOM 0 HB3 MET A 97 1.699 5.273 1.509 1.00 0.00 H new ATOM 0 HG2 MET A 97 -0.106 7.480 2.494 1.00 0.00 H new ATOM 0 HG3 MET A 97 1.624 7.704 2.661 1.00 0.00 H new ATOM 0 HE1 MET A 97 -1.004 7.973 -1.023 1.00 0.00 H new ATOM 0 HE2 MET A 97 -1.412 7.413 0.616 1.00 0.00 H new ATOM 0 HE3 MET A 97 -1.059 9.133 0.325 1.00 0.00 H new ATOM 1455 N VAL A 98 -1.086 2.582 2.256 1.00 0.00 N ATOM 1456 CA VAL A 98 -1.113 1.069 2.210 1.00 0.00 C ATOM 1457 C VAL A 98 -1.800 0.509 0.933 1.00 0.00 C ATOM 1458 O VAL A 98 -2.975 0.710 0.701 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.856 0.569 3.508 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -2.424 -0.865 3.365 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -0.850 0.453 4.661 1.00 0.00 C ATOM 0 H VAL A 98 -2.015 2.992 2.354 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.088 0.700 2.173 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.656 1.289 3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.923 -1.152 4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.139 -0.893 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.610 -1.560 3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.363 0.107 5.558 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.069 -0.259 4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.402 1.428 4.852 1.00 0.00 H new ATOM 1471 N GLY A 99 -1.048 -0.173 0.114 1.00 0.00 N ATOM 1472 CA GLY A 99 -1.601 -0.784 -1.174 1.00 0.00 C ATOM 1473 C GLY A 99 -1.378 -2.292 -1.195 1.00 0.00 C ATOM 1474 O GLY A 99 -0.376 -2.731 -1.724 1.00 0.00 O ATOM 0 H GLY A 99 -0.055 -0.347 0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.666 -0.568 -1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.115 -0.328 -2.036 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.268 -3.075 -0.655 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.029 -4.562 -0.666 1.00 0.00 C ATOM 1480 C LYS A 100 -2.561 -5.356 -1.875 1.00 0.00 C ATOM 1481 O LYS A 100 -3.610 -5.976 -1.832 1.00 0.00 O ATOM 1482 CB LYS A 100 -2.608 -5.146 0.701 1.00 0.00 C ATOM 1483 CG LYS A 100 -4.164 -5.122 0.830 1.00 0.00 C ATOM 1484 CD LYS A 100 -4.576 -5.969 2.096 1.00 0.00 C ATOM 1485 CE LYS A 100 -5.841 -6.800 1.807 1.00 0.00 C ATOM 1486 NZ LYS A 100 -5.414 -8.017 1.086 1.00 0.00 N ATOM 0 H LYS A 100 -3.135 -2.769 -0.213 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.952 -4.694 -0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.266 -6.175 0.811 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.182 -4.579 1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.520 -4.096 0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.625 -5.534 -0.068 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.757 -6.630 2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.756 -5.305 2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.349 -7.062 2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.548 -6.227 1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.034 -8.810 1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.474 -7.852 0.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.433 -8.246 1.343 1.00 0.00 H new ATOM 1500 N ILE A 101 -1.823 -5.333 -2.963 1.00 0.00 N ATOM 1501 CA ILE A 101 -2.315 -6.117 -4.166 1.00 0.00 C ATOM 1502 C ILE A 101 -2.665 -7.509 -3.627 1.00 0.00 C ATOM 1503 O ILE A 101 -1.848 -8.122 -2.976 1.00 0.00 O ATOM 1504 CB ILE A 101 -1.259 -6.410 -5.287 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -0.710 -5.146 -5.953 1.00 0.00 C ATOM 1506 CG2 ILE A 101 -1.922 -7.357 -6.340 1.00 0.00 C ATOM 1507 CD1 ILE A 101 0.127 -5.525 -7.236 1.00 0.00 C ATOM 0 H ILE A 101 -0.941 -4.834 -3.079 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.111 -5.519 -4.610 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.394 -6.887 -4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -1.532 -4.485 -6.228 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.083 -4.599 -5.249 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.207 -7.577 -7.133 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -2.224 -8.286 -5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.798 -6.869 -6.767 1.00 0.00 H new ATOM 0 HD11 ILE A 101 0.512 -4.617 -7.701 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.960 -6.168 -6.950 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.512 -6.052 -7.945 1.00 0.00 H new ATOM 1519 N THR A 102 -3.852 -7.930 -3.899 1.00 0.00 N ATOM 1520 CA THR A 102 -4.356 -9.271 -3.455 1.00 0.00 C ATOM 1521 C THR A 102 -4.492 -10.041 -4.757 1.00 0.00 C ATOM 1522 O THR A 102 -5.500 -9.956 -5.428 1.00 0.00 O ATOM 1523 CB THR A 102 -5.715 -9.109 -2.767 1.00 0.00 C ATOM 1524 OG1 THR A 102 -5.461 -8.241 -1.664 1.00 0.00 O ATOM 1525 CG2 THR A 102 -6.089 -10.393 -2.057 1.00 0.00 C ATOM 0 H THR A 102 -4.532 -7.388 -4.432 1.00 0.00 H new ATOM 0 HA THR A 102 -3.705 -9.772 -2.739 1.00 0.00 H new ATOM 0 HB THR A 102 -6.464 -8.793 -3.493 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.790 -7.574 -1.920 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.056 -10.271 -1.570 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.147 -11.206 -2.781 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.333 -10.628 -1.308 1.00 0.00 H new ATOM 1533 N VAL A 103 -3.495 -10.786 -5.120 1.00 0.00 N ATOM 1534 CA VAL A 103 -3.628 -11.525 -6.411 1.00 0.00 C ATOM 1535 C VAL A 103 -4.506 -12.785 -6.348 1.00 0.00 C ATOM 1536 O VAL A 103 -4.398 -13.625 -5.476 1.00 0.00 O ATOM 1537 CB VAL A 103 -2.206 -11.890 -6.908 1.00 0.00 C ATOM 1538 CG1 VAL A 103 -2.300 -12.525 -8.298 1.00 0.00 C ATOM 1539 CG2 VAL A 103 -1.350 -10.634 -7.023 1.00 0.00 C ATOM 0 H VAL A 103 -2.623 -10.918 -4.607 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.144 -10.861 -7.104 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.758 -12.583 -6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -1.301 -12.782 -8.649 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.909 -13.427 -8.245 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.757 -11.818 -8.991 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.354 -10.904 -7.373 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.809 -9.944 -7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.274 -10.155 -6.047 1.00 0.00 H new ATOM 1549 N ALA A 104 -5.353 -12.832 -7.329 1.00 0.00 N ATOM 1550 CA ALA A 104 -6.339 -13.923 -7.551 1.00 0.00 C ATOM 1551 C ALA A 104 -5.808 -14.860 -8.685 1.00 0.00 C ATOM 1552 O ALA A 104 -6.143 -14.718 -9.850 1.00 0.00 O ATOM 1553 CB ALA A 104 -7.664 -13.208 -7.900 1.00 0.00 C ATOM 0 H ALA A 104 -5.404 -12.102 -8.039 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.496 -14.567 -6.686 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.442 -13.950 -8.078 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.959 -12.564 -7.071 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.526 -12.604 -8.797 1.00 0.00 H new ATOM 1559 N GLY A 105 -4.969 -15.761 -8.264 1.00 0.00 N ATOM 1560 CA GLY A 105 -4.319 -16.784 -9.154 1.00 0.00 C ATOM 1561 C GLY A 105 -4.434 -18.150 -8.493 1.00 0.00 C ATOM 1562 O GLY A 105 -3.385 -18.655 -8.137 1.00 0.00 O ATOM 1563 OXT GLY A 105 -5.559 -18.598 -8.383 1.00 0.00 O ATOM 0 H GLY A 105 -4.688 -15.839 -7.287 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.801 -16.795 -10.131 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -3.272 -16.531 -9.318 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 2.924 9.463 -0.613 1.00 0.00 CU