USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 773 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 HIS : no HE2:sc= -9.04! C(o=-17!,f=-19!) USER MOD Set 1.2: A 89 CYS SG : rot -146:sc= 0.826 USER MOD Set 1.3: A 92 HIS : no HD1:sc= -9.03! C(o=-17!,f=-24!) USER MOD Set 2.1: A 61 HIS : no HE2:sc= -7.78! C(o=-10!,f=-11!) USER MOD Set 2.2: A 74 THR OG1 : rot -14:sc= -2.39 USER MOD Single : A 2 THR OG1 : rot -25:sc= 0.818 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -140:sc= -1.5 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00598 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -111:sc= -1.3 (180deg=-2.65!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -7.17! C(o=-7.2!,f=-16!) USER MOD Single : A 34 ASN : amide:sc= -2.44! X(o=-2.4!,f=-2.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.92! C(o=-1.9!,f=-3.8!) USER MOD Single : A 48 ASN : amide:sc= -1.5! C(o=-1.5!,f=-7.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 59:sc= 0.911 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 150:sc= -0.526 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.29) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 144:sc= -2.77! USER MOD Single : A 70 GLN : amide:sc= -0.358 K(o=-0.36,f=-3.1!) USER MOD Single : A 71 SER OG : rot 110:sc= -5.28! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -31:sc= 0.982 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 85 TYR OH : rot -26:sc= -0.721! USER MOD Single : A 86 THR OG1 : rot -132:sc= -3.23! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -108:sc= -7.74! (180deg=-10.9!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 1.076 14.210 3.611 1.00 0.00 N ATOM 19 CA THR A 2 0.682 12.774 3.657 1.00 0.00 C ATOM 20 C THR A 2 -0.005 12.392 2.345 1.00 0.00 C ATOM 21 O THR A 2 -0.670 13.197 1.723 1.00 0.00 O ATOM 22 CB THR A 2 -0.282 12.544 4.823 1.00 0.00 C ATOM 23 OG1 THR A 2 -0.812 13.791 5.251 1.00 0.00 O ATOM 24 CG2 THR A 2 0.466 11.881 5.980 1.00 0.00 C ATOM 0 HA THR A 2 1.571 12.159 3.795 1.00 0.00 H new ATOM 0 HB THR A 2 -1.096 11.895 4.500 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.189 14.510 5.014 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.220 11.717 6.811 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.872 10.925 5.650 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.281 12.528 6.305 1.00 0.00 H new ATOM 32 N TYR A 3 0.153 11.170 1.917 1.00 0.00 N ATOM 33 CA TYR A 3 -0.489 10.738 0.645 1.00 0.00 C ATOM 34 C TYR A 3 -1.474 9.603 0.930 1.00 0.00 C ATOM 35 O TYR A 3 -1.124 8.597 1.514 1.00 0.00 O ATOM 36 CB TYR A 3 0.586 10.248 -0.325 1.00 0.00 C ATOM 37 CG TYR A 3 1.415 11.421 -0.790 1.00 0.00 C ATOM 38 CD1 TYR A 3 2.284 12.061 0.102 1.00 0.00 C ATOM 39 CD2 TYR A 3 1.317 11.867 -2.113 1.00 0.00 C ATOM 40 CE1 TYR A 3 3.053 13.148 -0.329 1.00 0.00 C ATOM 41 CE2 TYR A 3 2.087 12.953 -2.545 1.00 0.00 C ATOM 42 CZ TYR A 3 2.955 13.594 -1.653 1.00 0.00 C ATOM 43 OH TYR A 3 3.715 14.665 -2.078 1.00 0.00 O ATOM 0 H TYR A 3 0.699 10.452 2.394 1.00 0.00 H new ATOM 0 HA TYR A 3 -1.023 11.579 0.203 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.222 9.510 0.163 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.123 9.755 -1.179 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.361 11.716 1.122 1.00 0.00 H new ATOM 0 HD2 TYR A 3 0.647 11.373 -2.801 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.722 13.643 0.359 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.012 13.296 -3.566 1.00 0.00 H new ATOM 0 HH TYR A 3 3.528 14.844 -3.023 1.00 0.00 H new ATOM 53 N THR A 4 -2.704 9.757 0.523 1.00 0.00 N ATOM 54 CA THR A 4 -3.709 8.686 0.773 1.00 0.00 C ATOM 55 C THR A 4 -4.181 8.106 -0.563 1.00 0.00 C ATOM 56 O THR A 4 -4.448 8.827 -1.504 1.00 0.00 O ATOM 57 CB THR A 4 -4.904 9.274 1.528 1.00 0.00 C ATOM 58 OG1 THR A 4 -5.966 8.331 1.539 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.367 10.558 0.837 1.00 0.00 C ATOM 0 H THR A 4 -3.056 10.577 0.029 1.00 0.00 H new ATOM 0 HA THR A 4 -3.256 7.895 1.371 1.00 0.00 H new ATOM 0 HB THR A 4 -4.609 9.502 2.552 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.818 8.796 1.404 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.218 10.975 1.376 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.552 11.282 0.830 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.662 10.334 -0.188 1.00 0.00 H new ATOM 67 N VAL A 5 -4.283 6.808 -0.655 1.00 0.00 N ATOM 68 CA VAL A 5 -4.735 6.184 -1.929 1.00 0.00 C ATOM 69 C VAL A 5 -6.122 5.570 -1.735 1.00 0.00 C ATOM 70 O VAL A 5 -6.258 4.397 -1.449 1.00 0.00 O ATOM 71 CB VAL A 5 -3.750 5.087 -2.331 1.00 0.00 C ATOM 72 CG1 VAL A 5 -2.573 5.708 -3.083 1.00 0.00 C ATOM 73 CG2 VAL A 5 -3.236 4.379 -1.076 1.00 0.00 C ATOM 0 H VAL A 5 -4.072 6.153 0.098 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.780 6.944 -2.709 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.253 4.366 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.871 4.925 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.938 6.213 -3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.070 6.429 -2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.533 3.596 -1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.733 5.100 -0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.075 3.935 -0.539 1.00 0.00 H new ATOM 83 N LYS A 6 -7.155 6.351 -1.892 1.00 0.00 N ATOM 84 CA LYS A 6 -8.529 5.805 -1.720 1.00 0.00 C ATOM 85 C LYS A 6 -8.723 4.615 -2.663 1.00 0.00 C ATOM 86 O LYS A 6 -8.473 4.706 -3.848 1.00 0.00 O ATOM 87 CB LYS A 6 -9.554 6.890 -2.052 1.00 0.00 C ATOM 88 CG LYS A 6 -10.951 6.413 -1.654 1.00 0.00 C ATOM 89 CD LYS A 6 -11.868 7.622 -1.458 1.00 0.00 C ATOM 90 CE LYS A 6 -13.327 7.180 -1.575 1.00 0.00 C ATOM 91 NZ LYS A 6 -14.207 8.380 -1.634 1.00 0.00 N ATOM 0 H LYS A 6 -7.107 7.341 -2.131 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.666 5.480 -0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.308 7.811 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.526 7.117 -3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.356 5.757 -2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.899 5.830 -0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.690 8.072 -0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.647 8.384 -2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.463 6.572 -2.469 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.599 6.558 -0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.199 8.079 -1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.084 8.943 -0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.953 8.957 -2.461 1.00 0.00 H new ATOM 105 N LEU A 7 -9.165 3.500 -2.148 1.00 0.00 N ATOM 106 CA LEU A 7 -9.372 2.311 -3.020 1.00 0.00 C ATOM 107 C LEU A 7 -10.868 2.121 -3.278 1.00 0.00 C ATOM 108 O LEU A 7 -11.692 2.870 -2.793 1.00 0.00 O ATOM 109 CB LEU A 7 -8.809 1.053 -2.345 1.00 0.00 C ATOM 110 CG LEU A 7 -8.683 1.262 -0.833 1.00 0.00 C ATOM 111 CD1 LEU A 7 -8.503 -0.093 -0.147 1.00 0.00 C ATOM 112 CD2 LEU A 7 -7.467 2.144 -0.539 1.00 0.00 C ATOM 0 H LEU A 7 -9.391 3.362 -1.163 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.852 2.471 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.461 0.203 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.833 0.813 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.584 1.746 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.413 0.053 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.366 -0.724 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.601 -0.575 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.377 2.293 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.566 1.659 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.591 3.109 -1.030 1.00 0.00 H new ATOM 124 N GLY A 8 -11.224 1.122 -4.038 1.00 0.00 N ATOM 125 CA GLY A 8 -12.666 0.882 -4.326 1.00 0.00 C ATOM 126 C GLY A 8 -13.208 2.010 -5.205 1.00 0.00 C ATOM 127 O GLY A 8 -13.915 2.884 -4.745 1.00 0.00 O ATOM 0 H GLY A 8 -10.579 0.462 -4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.792 -0.077 -4.829 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.230 0.830 -3.394 1.00 0.00 H new ATOM 131 N SER A 9 -12.883 1.999 -6.469 1.00 0.00 N ATOM 132 CA SER A 9 -13.380 3.070 -7.377 1.00 0.00 C ATOM 133 C SER A 9 -14.867 3.315 -7.112 1.00 0.00 C ATOM 134 O SER A 9 -15.364 4.410 -7.280 1.00 0.00 O ATOM 135 CB SER A 9 -13.187 2.635 -8.830 1.00 0.00 C ATOM 136 OG SER A 9 -13.342 1.225 -8.922 1.00 0.00 O ATOM 0 H SER A 9 -12.294 1.294 -6.912 1.00 0.00 H new ATOM 0 HA SER A 9 -12.822 3.989 -7.195 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.913 3.135 -9.471 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.197 2.927 -9.181 1.00 0.00 H new ATOM 0 HG SER A 9 -13.220 0.943 -9.853 1.00 0.00 H new ATOM 142 N ASP A 10 -15.578 2.299 -6.699 1.00 0.00 N ATOM 143 CA ASP A 10 -17.035 2.458 -6.420 1.00 0.00 C ATOM 144 C ASP A 10 -17.814 2.487 -7.743 1.00 0.00 C ATOM 145 O ASP A 10 -19.027 2.553 -7.758 1.00 0.00 O ATOM 146 CB ASP A 10 -17.269 3.751 -5.607 1.00 0.00 C ATOM 147 CG ASP A 10 -17.749 4.898 -6.508 1.00 0.00 C ATOM 148 OD1 ASP A 10 -18.820 4.769 -7.079 1.00 0.00 O ATOM 149 OD2 ASP A 10 -17.040 5.886 -6.605 1.00 0.00 O ATOM 0 H ASP A 10 -15.210 1.361 -6.542 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.393 1.614 -5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -18.008 3.564 -4.828 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.345 4.041 -5.107 1.00 0.00 H new ATOM 154 N LYS A 11 -17.127 2.437 -8.852 1.00 0.00 N ATOM 155 CA LYS A 11 -17.832 2.462 -10.165 1.00 0.00 C ATOM 156 C LYS A 11 -17.408 1.253 -10.999 1.00 0.00 C ATOM 157 O LYS A 11 -17.655 1.189 -12.187 1.00 0.00 O ATOM 158 CB LYS A 11 -17.473 3.748 -10.912 1.00 0.00 C ATOM 159 CG LYS A 11 -18.753 4.426 -11.404 1.00 0.00 C ATOM 160 CD LYS A 11 -18.393 5.662 -12.231 1.00 0.00 C ATOM 161 CE LYS A 11 -19.293 5.731 -13.465 1.00 0.00 C ATOM 162 NZ LYS A 11 -18.703 6.674 -14.457 1.00 0.00 N ATOM 0 H LYS A 11 -16.110 2.380 -8.905 1.00 0.00 H new ATOM 0 HA LYS A 11 -18.909 2.426 -9.998 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.922 4.421 -10.255 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.821 3.521 -11.756 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -19.337 3.730 -12.007 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -19.375 4.712 -10.555 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.514 6.563 -11.629 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.347 5.618 -12.533 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.399 4.740 -13.907 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -20.292 6.062 -13.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.314 6.722 -15.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.624 7.620 -14.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.758 6.339 -14.735 1.00 0.00 H new ATOM 176 N GLY A 12 -16.770 0.292 -10.391 1.00 0.00 N ATOM 177 CA GLY A 12 -16.333 -0.909 -11.156 1.00 0.00 C ATOM 178 C GLY A 12 -15.907 -2.011 -10.186 1.00 0.00 C ATOM 179 O GLY A 12 -16.663 -2.912 -9.884 1.00 0.00 O ATOM 0 H GLY A 12 -16.533 0.286 -9.399 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.146 -1.264 -11.790 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.504 -0.651 -11.815 1.00 0.00 H new ATOM 183 N LEU A 13 -14.699 -1.949 -9.697 1.00 0.00 N ATOM 184 CA LEU A 13 -14.226 -2.996 -8.751 1.00 0.00 C ATOM 185 C LEU A 13 -13.392 -2.351 -7.644 1.00 0.00 C ATOM 186 O LEU A 13 -13.587 -1.204 -7.294 1.00 0.00 O ATOM 187 CB LEU A 13 -13.366 -4.011 -9.505 1.00 0.00 C ATOM 188 CG LEU A 13 -13.547 -5.395 -8.884 1.00 0.00 C ATOM 189 CD1 LEU A 13 -14.762 -6.081 -9.511 1.00 0.00 C ATOM 190 CD2 LEU A 13 -12.296 -6.236 -9.146 1.00 0.00 C ATOM 0 H LEU A 13 -14.020 -1.219 -9.912 1.00 0.00 H new ATOM 0 HA LEU A 13 -15.087 -3.499 -8.310 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -13.650 -4.033 -10.557 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.317 -3.717 -9.464 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.701 -5.295 -7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.891 -7.068 -9.068 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -15.653 -5.481 -9.327 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -14.608 -6.183 -10.585 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.423 -7.224 -8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.143 -6.336 -10.221 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.429 -5.748 -8.701 1.00 0.00 H new ATOM 202 N LEU A 14 -12.463 -3.080 -7.092 1.00 0.00 N ATOM 203 CA LEU A 14 -11.615 -2.514 -6.008 1.00 0.00 C ATOM 204 C LEU A 14 -10.178 -2.364 -6.514 1.00 0.00 C ATOM 205 O LEU A 14 -9.530 -3.329 -6.869 1.00 0.00 O ATOM 206 CB LEU A 14 -11.639 -3.454 -4.800 1.00 0.00 C ATOM 207 CG LEU A 14 -13.053 -3.501 -4.212 1.00 0.00 C ATOM 208 CD1 LEU A 14 -13.138 -4.620 -3.172 1.00 0.00 C ATOM 209 CD2 LEU A 14 -13.372 -2.162 -3.544 1.00 0.00 C ATOM 0 H LEU A 14 -12.254 -4.046 -7.346 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.000 -1.537 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.325 -4.454 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.932 -3.110 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.771 -3.691 -5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.144 -4.653 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.911 -5.575 -3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.420 -4.431 -2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.378 -2.195 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.653 -1.973 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.312 -1.363 -4.283 1.00 0.00 H new ATOM 221 N VAL A 15 -9.673 -1.160 -6.550 1.00 0.00 N ATOM 222 CA VAL A 15 -8.276 -0.948 -7.032 1.00 0.00 C ATOM 223 C VAL A 15 -7.693 0.300 -6.366 1.00 0.00 C ATOM 224 O VAL A 15 -8.414 1.173 -5.925 1.00 0.00 O ATOM 225 CB VAL A 15 -8.279 -0.760 -8.551 1.00 0.00 C ATOM 226 CG1 VAL A 15 -8.520 -2.106 -9.235 1.00 0.00 C ATOM 227 CG2 VAL A 15 -9.392 0.215 -8.942 1.00 0.00 C ATOM 0 H VAL A 15 -10.167 -0.314 -6.267 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.669 -1.817 -6.777 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.315 -0.360 -8.867 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.522 -1.969 -10.316 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.728 -2.802 -8.958 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.483 -2.508 -8.919 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.395 0.349 -10.024 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.355 -0.185 -8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.220 1.176 -8.457 1.00 0.00 H new ATOM 237 N PHE A 16 -6.394 0.393 -6.289 1.00 0.00 N ATOM 238 CA PHE A 16 -5.770 1.588 -5.651 1.00 0.00 C ATOM 239 C PHE A 16 -5.948 2.804 -6.563 1.00 0.00 C ATOM 240 O PHE A 16 -6.123 2.676 -7.759 1.00 0.00 O ATOM 241 CB PHE A 16 -4.278 1.331 -5.431 1.00 0.00 C ATOM 242 CG PHE A 16 -4.088 0.478 -4.199 1.00 0.00 C ATOM 243 CD1 PHE A 16 -4.245 1.043 -2.927 1.00 0.00 C ATOM 244 CD2 PHE A 16 -3.755 -0.875 -4.327 1.00 0.00 C ATOM 245 CE1 PHE A 16 -4.068 0.255 -1.785 1.00 0.00 C ATOM 246 CE2 PHE A 16 -3.578 -1.664 -3.184 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.734 -1.098 -1.913 1.00 0.00 C ATOM 0 H PHE A 16 -5.738 -0.305 -6.639 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.250 1.778 -4.691 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.852 0.831 -6.301 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.749 2.277 -5.316 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.503 2.087 -2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.634 -1.311 -5.308 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.189 0.691 -0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.321 -2.708 -3.283 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.597 -1.706 -1.031 1.00 0.00 H new ATOM 257 N GLU A 17 -5.906 3.984 -6.008 1.00 0.00 N ATOM 258 CA GLU A 17 -6.074 5.207 -6.843 1.00 0.00 C ATOM 259 C GLU A 17 -5.168 6.323 -6.302 1.00 0.00 C ATOM 260 O GLU A 17 -5.385 6.812 -5.211 1.00 0.00 O ATOM 261 CB GLU A 17 -7.533 5.664 -6.783 1.00 0.00 C ATOM 262 CG GLU A 17 -8.411 4.663 -7.537 1.00 0.00 C ATOM 263 CD GLU A 17 -9.885 5.004 -7.311 1.00 0.00 C ATOM 264 OE1 GLU A 17 -10.326 4.917 -6.177 1.00 0.00 O ATOM 265 OE2 GLU A 17 -10.548 5.346 -8.276 1.00 0.00 O ATOM 0 H GLU A 17 -5.763 4.154 -5.013 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.802 4.985 -7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.859 5.741 -5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.633 6.656 -7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.180 4.690 -8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.204 3.650 -7.192 1.00 0.00 H new ATOM 272 N PRO A 18 -4.174 6.693 -7.075 1.00 0.00 N ATOM 273 CA PRO A 18 -3.905 6.106 -8.400 1.00 0.00 C ATOM 274 C PRO A 18 -3.227 4.740 -8.253 1.00 0.00 C ATOM 275 O PRO A 18 -3.004 4.261 -7.159 1.00 0.00 O ATOM 276 CB PRO A 18 -2.958 7.116 -9.052 1.00 0.00 C ATOM 277 CG PRO A 18 -2.302 7.911 -7.904 1.00 0.00 C ATOM 278 CD PRO A 18 -3.217 7.746 -6.681 1.00 0.00 C ATOM 0 HA PRO A 18 -4.809 5.935 -8.985 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.203 6.608 -9.652 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.503 7.781 -9.722 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.301 7.534 -7.693 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.197 8.963 -8.171 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.649 7.456 -5.797 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.729 8.678 -6.440 1.00 0.00 H new ATOM 286 N ALA A 19 -2.901 4.109 -9.348 1.00 0.00 N ATOM 287 CA ALA A 19 -2.242 2.777 -9.274 1.00 0.00 C ATOM 288 C ALA A 19 -0.777 2.947 -8.864 1.00 0.00 C ATOM 289 O ALA A 19 -0.220 2.125 -8.165 1.00 0.00 O ATOM 290 CB ALA A 19 -2.314 2.098 -10.644 1.00 0.00 C ATOM 0 H ALA A 19 -3.064 4.460 -10.292 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.753 2.162 -8.534 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.832 1.122 -10.592 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.357 1.972 -10.933 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.804 2.716 -11.383 1.00 0.00 H new ATOM 296 N LYS A 20 -0.148 4.008 -9.291 1.00 0.00 N ATOM 297 CA LYS A 20 1.280 4.226 -8.922 1.00 0.00 C ATOM 298 C LYS A 20 1.380 5.426 -7.979 1.00 0.00 C ATOM 299 O LYS A 20 0.506 6.269 -7.941 1.00 0.00 O ATOM 300 CB LYS A 20 2.097 4.499 -10.187 1.00 0.00 C ATOM 301 CG LYS A 20 3.468 3.831 -10.066 1.00 0.00 C ATOM 302 CD LYS A 20 3.527 2.614 -10.992 1.00 0.00 C ATOM 303 CE LYS A 20 3.269 3.054 -12.434 1.00 0.00 C ATOM 304 NZ LYS A 20 1.882 2.678 -12.826 1.00 0.00 N ATOM 0 H LYS A 20 -0.560 4.733 -9.879 1.00 0.00 H new ATOM 0 HA LYS A 20 1.670 3.338 -8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.571 4.117 -11.062 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.216 5.573 -10.331 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.254 4.539 -10.329 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.646 3.526 -9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.503 2.134 -10.917 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.784 1.876 -10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.405 4.131 -12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.988 2.583 -13.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.916 1.920 -13.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.363 2.345 -11.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.398 3.507 -13.226 1.00 0.00 H new ATOM 318 N LEU A 21 2.435 5.513 -7.214 1.00 0.00 N ATOM 319 CA LEU A 21 2.577 6.663 -6.275 1.00 0.00 C ATOM 320 C LEU A 21 4.059 6.956 -6.031 1.00 0.00 C ATOM 321 O LEU A 21 4.743 6.221 -5.346 1.00 0.00 O ATOM 322 CB LEU A 21 1.902 6.319 -4.944 1.00 0.00 C ATOM 323 CG LEU A 21 1.515 7.610 -4.220 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.214 8.155 -4.810 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.314 7.319 -2.731 1.00 0.00 C ATOM 0 H LEU A 21 3.202 4.840 -7.198 1.00 0.00 H new ATOM 0 HA LEU A 21 2.104 7.543 -6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.016 5.709 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.577 5.730 -4.323 1.00 0.00 H new ATOM 0 HG LEU A 21 2.308 8.347 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.062 9.075 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.354 8.362 -5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.579 7.417 -4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.038 8.238 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.520 6.582 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.240 6.929 -2.308 1.00 0.00 H new ATOM 337 N THR A 22 4.561 8.031 -6.578 1.00 0.00 N ATOM 338 CA THR A 22 5.995 8.373 -6.367 1.00 0.00 C ATOM 339 C THR A 22 6.149 9.067 -5.012 1.00 0.00 C ATOM 340 O THR A 22 5.954 10.260 -4.886 1.00 0.00 O ATOM 341 CB THR A 22 6.470 9.306 -7.482 1.00 0.00 C ATOM 342 OG1 THR A 22 6.467 8.602 -8.716 1.00 0.00 O ATOM 343 CG2 THR A 22 7.886 9.791 -7.176 1.00 0.00 C ATOM 0 H THR A 22 4.039 8.686 -7.161 1.00 0.00 H new ATOM 0 HA THR A 22 6.596 7.464 -6.383 1.00 0.00 H new ATOM 0 HB THR A 22 5.801 10.164 -7.548 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.769 9.198 -9.433 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.223 10.456 -7.972 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.889 10.329 -6.228 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.557 8.935 -7.110 1.00 0.00 H new ATOM 351 N ILE A 23 6.483 8.322 -3.995 1.00 0.00 N ATOM 352 CA ILE A 23 6.636 8.923 -2.644 1.00 0.00 C ATOM 353 C ILE A 23 8.109 9.168 -2.342 1.00 0.00 C ATOM 354 O ILE A 23 8.986 8.684 -3.029 1.00 0.00 O ATOM 355 CB ILE A 23 6.079 7.961 -1.594 1.00 0.00 C ATOM 356 CG1 ILE A 23 6.650 6.558 -1.834 1.00 0.00 C ATOM 357 CG2 ILE A 23 4.558 7.919 -1.700 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.313 6.042 -0.552 1.00 0.00 C ATOM 0 H ILE A 23 6.657 7.318 -4.044 1.00 0.00 H new ATOM 0 HA ILE A 23 6.094 9.869 -2.618 1.00 0.00 H new ATOM 0 HB ILE A 23 6.363 8.303 -0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.855 5.879 -2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.378 6.585 -2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.160 7.233 -0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.154 8.917 -1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.272 7.577 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.717 5.045 -0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.120 6.715 -0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.574 5.998 0.248 1.00 0.00 H new ATOM 370 N LYS A 24 8.387 9.895 -1.298 1.00 0.00 N ATOM 371 CA LYS A 24 9.801 10.143 -0.930 1.00 0.00 C ATOM 372 C LYS A 24 10.250 9.001 -0.014 1.00 0.00 C ATOM 373 O LYS A 24 9.430 8.231 0.443 1.00 0.00 O ATOM 374 CB LYS A 24 9.921 11.486 -0.198 1.00 0.00 C ATOM 375 CG LYS A 24 8.941 12.497 -0.802 1.00 0.00 C ATOM 376 CD LYS A 24 9.025 13.814 -0.023 1.00 0.00 C ATOM 377 CE LYS A 24 8.444 14.952 -0.866 1.00 0.00 C ATOM 378 NZ LYS A 24 8.575 16.238 -0.122 1.00 0.00 N ATOM 0 H LYS A 24 7.695 10.327 -0.686 1.00 0.00 H new ATOM 0 HA LYS A 24 10.428 10.184 -1.820 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.711 11.352 0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.941 11.863 -0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.178 12.667 -1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.925 12.103 -0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.477 13.728 0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.062 14.031 0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.968 15.016 -1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.396 14.754 -1.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.180 17.012 -0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.057 16.173 0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.579 16.427 0.070 1.00 0.00 H new ATOM 392 N PRO A 25 11.530 8.913 0.225 1.00 0.00 N ATOM 393 CA PRO A 25 12.089 7.857 1.082 1.00 0.00 C ATOM 394 C PRO A 25 11.814 8.160 2.557 1.00 0.00 C ATOM 395 O PRO A 25 12.651 8.691 3.259 1.00 0.00 O ATOM 396 CB PRO A 25 13.588 7.893 0.770 1.00 0.00 C ATOM 397 CG PRO A 25 13.879 9.297 0.190 1.00 0.00 C ATOM 398 CD PRO A 25 12.533 9.849 -0.321 1.00 0.00 C ATOM 0 HA PRO A 25 11.652 6.876 0.897 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.177 7.715 1.670 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.855 7.114 0.055 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.302 9.951 0.952 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.607 9.239 -0.620 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.361 10.867 0.029 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.501 9.877 -1.410 1.00 0.00 H new ATOM 406 N GLY A 26 10.643 7.822 3.031 1.00 0.00 N ATOM 407 CA GLY A 26 10.316 8.088 4.462 1.00 0.00 C ATOM 408 C GLY A 26 8.942 8.756 4.568 1.00 0.00 C ATOM 409 O GLY A 26 8.368 8.846 5.635 1.00 0.00 O ATOM 0 H GLY A 26 9.902 7.375 2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.320 7.154 5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.077 8.730 4.905 1.00 0.00 H new ATOM 413 N ASP A 27 8.411 9.228 3.474 1.00 0.00 N ATOM 414 CA ASP A 27 7.076 9.893 3.521 1.00 0.00 C ATOM 415 C ASP A 27 6.053 8.952 4.163 1.00 0.00 C ATOM 416 O ASP A 27 6.383 7.873 4.613 1.00 0.00 O ATOM 417 CB ASP A 27 6.625 10.238 2.101 1.00 0.00 C ATOM 418 CG ASP A 27 7.123 11.636 1.731 1.00 0.00 C ATOM 419 OD1 ASP A 27 8.077 12.086 2.344 1.00 0.00 O ATOM 420 OD2 ASP A 27 6.542 12.234 0.840 1.00 0.00 O ATOM 0 H ASP A 27 8.842 9.183 2.551 1.00 0.00 H new ATOM 0 HA ASP A 27 7.151 10.806 4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.015 9.504 1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.538 10.198 2.034 1.00 0.00 H new ATOM 425 N THR A 28 4.812 9.356 4.207 1.00 0.00 N ATOM 426 CA THR A 28 3.764 8.495 4.816 1.00 0.00 C ATOM 427 C THR A 28 2.669 8.216 3.784 1.00 0.00 C ATOM 428 O THR A 28 2.267 9.090 3.041 1.00 0.00 O ATOM 429 CB THR A 28 3.154 9.210 6.024 1.00 0.00 C ATOM 430 OG1 THR A 28 4.032 10.241 6.456 1.00 0.00 O ATOM 431 CG2 THR A 28 2.942 8.209 7.160 1.00 0.00 C ATOM 0 H THR A 28 4.480 10.250 3.845 1.00 0.00 H new ATOM 0 HA THR A 28 4.210 7.554 5.137 1.00 0.00 H new ATOM 0 HB THR A 28 2.194 9.644 5.742 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.642 10.701 7.228 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.508 8.720 8.019 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.267 7.420 6.828 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.900 7.772 7.444 1.00 0.00 H new ATOM 439 N VAL A 29 2.182 7.007 3.730 1.00 0.00 N ATOM 440 CA VAL A 29 1.117 6.676 2.749 1.00 0.00 C ATOM 441 C VAL A 29 -0.148 6.241 3.492 1.00 0.00 C ATOM 442 O VAL A 29 -0.091 5.497 4.451 1.00 0.00 O ATOM 443 CB VAL A 29 1.596 5.543 1.841 1.00 0.00 C ATOM 444 CG1 VAL A 29 0.834 5.593 0.516 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.094 5.708 1.575 1.00 0.00 C ATOM 0 H VAL A 29 2.478 6.234 4.326 1.00 0.00 H new ATOM 0 HA VAL A 29 0.894 7.555 2.144 1.00 0.00 H new ATOM 0 HB VAL A 29 1.414 4.584 2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.176 4.785 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.233 5.479 0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.016 6.550 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.440 4.902 0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.274 6.667 1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.637 5.673 2.519 1.00 0.00 H new ATOM 455 N GLU A 30 -1.290 6.701 3.059 1.00 0.00 N ATOM 456 CA GLU A 30 -2.551 6.317 3.743 1.00 0.00 C ATOM 457 C GLU A 30 -3.427 5.493 2.795 1.00 0.00 C ATOM 458 O GLU A 30 -3.740 5.908 1.697 1.00 0.00 O ATOM 459 CB GLU A 30 -3.305 7.577 4.173 1.00 0.00 C ATOM 460 CG GLU A 30 -3.330 7.660 5.700 1.00 0.00 C ATOM 461 CD GLU A 30 -4.729 8.066 6.167 1.00 0.00 C ATOM 462 OE1 GLU A 30 -5.665 7.342 5.870 1.00 0.00 O ATOM 463 OE2 GLU A 30 -4.842 9.095 6.813 1.00 0.00 O ATOM 0 H GLU A 30 -1.401 7.326 2.261 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.314 5.718 4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.823 8.462 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.322 7.556 3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.056 6.697 6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.594 8.386 6.047 1.00 0.00 H new ATOM 470 N PHE A 31 -3.828 4.328 3.218 1.00 0.00 N ATOM 471 CA PHE A 31 -4.688 3.466 2.357 1.00 0.00 C ATOM 472 C PHE A 31 -5.956 3.119 3.144 1.00 0.00 C ATOM 473 O PHE A 31 -5.935 2.276 4.012 1.00 0.00 O ATOM 474 CB PHE A 31 -3.932 2.177 1.984 1.00 0.00 C ATOM 475 CG PHE A 31 -2.464 2.304 2.350 1.00 0.00 C ATOM 476 CD1 PHE A 31 -2.062 2.178 3.687 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.508 2.554 1.355 1.00 0.00 C ATOM 478 CE1 PHE A 31 -0.711 2.300 4.028 1.00 0.00 C ATOM 479 CE2 PHE A 31 -0.156 2.677 1.699 1.00 0.00 C ATOM 480 CZ PHE A 31 0.242 2.550 3.035 1.00 0.00 C ATOM 0 H PHE A 31 -3.596 3.932 4.129 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.948 3.991 1.438 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.371 1.326 2.504 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.032 1.984 0.916 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.797 1.986 4.455 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.814 2.652 0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.403 2.201 5.059 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.580 2.870 0.933 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.285 2.645 3.299 1.00 0.00 H new ATOM 490 N LEU A 32 -7.051 3.781 2.865 1.00 0.00 N ATOM 491 CA LEU A 32 -8.309 3.521 3.627 1.00 0.00 C ATOM 492 C LEU A 32 -9.215 2.551 2.870 1.00 0.00 C ATOM 493 O LEU A 32 -8.903 2.100 1.786 1.00 0.00 O ATOM 494 CB LEU A 32 -9.050 4.844 3.825 1.00 0.00 C ATOM 495 CG LEU A 32 -8.059 5.923 4.267 1.00 0.00 C ATOM 496 CD1 LEU A 32 -7.751 6.849 3.089 1.00 0.00 C ATOM 497 CD2 LEU A 32 -8.669 6.739 5.408 1.00 0.00 C ATOM 0 H LEU A 32 -7.127 4.493 2.139 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.051 3.077 4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.538 5.142 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.833 4.726 4.574 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.138 5.450 4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.045 7.617 3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.316 6.269 2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.672 7.321 2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.963 7.508 5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.590 7.210 5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.888 6.081 6.249 1.00 0.00 H new ATOM 509 N ASN A 33 -10.334 2.217 3.458 1.00 0.00 N ATOM 510 CA ASN A 33 -11.273 1.263 2.810 1.00 0.00 C ATOM 511 C ASN A 33 -12.380 2.038 2.084 1.00 0.00 C ATOM 512 O ASN A 33 -12.587 3.211 2.322 1.00 0.00 O ATOM 513 CB ASN A 33 -11.866 0.346 3.898 1.00 0.00 C ATOM 514 CG ASN A 33 -13.162 0.916 4.474 1.00 0.00 C ATOM 515 OD1 ASN A 33 -13.433 2.095 4.375 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.973 0.111 5.093 1.00 0.00 N ATOM 0 H ASN A 33 -10.637 2.569 4.366 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.749 0.654 2.073 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.058 -0.641 3.477 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.139 0.215 4.699 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.838 0.470 5.496 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.744 -0.880 5.175 1.00 0.00 H new ATOM 523 N ASN A 34 -13.099 1.390 1.209 1.00 0.00 N ATOM 524 CA ASN A 34 -14.195 2.091 0.480 1.00 0.00 C ATOM 525 C ASN A 34 -15.541 1.568 0.984 1.00 0.00 C ATOM 526 O ASN A 34 -16.147 2.134 1.872 1.00 0.00 O ATOM 527 CB ASN A 34 -14.071 1.819 -1.021 1.00 0.00 C ATOM 528 CG ASN A 34 -15.287 2.398 -1.747 1.00 0.00 C ATOM 529 OD1 ASN A 34 -15.855 3.381 -1.316 1.00 0.00 O ATOM 530 ND2 ASN A 34 -15.714 1.826 -2.840 1.00 0.00 N ATOM 0 H ASN A 34 -12.976 0.407 0.967 1.00 0.00 H new ATOM 0 HA ASN A 34 -14.125 3.164 0.656 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.156 2.267 -1.408 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.002 0.746 -1.203 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.524 2.205 -3.331 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.238 1.000 -3.203 1.00 0.00 H new ATOM 537 N LYS A 35 -16.005 0.483 0.430 1.00 0.00 N ATOM 538 CA LYS A 35 -17.304 -0.090 0.881 1.00 0.00 C ATOM 539 C LYS A 35 -17.279 -1.602 0.667 1.00 0.00 C ATOM 540 O LYS A 35 -18.294 -2.231 0.441 1.00 0.00 O ATOM 541 CB LYS A 35 -18.451 0.532 0.082 1.00 0.00 C ATOM 542 CG LYS A 35 -18.267 0.224 -1.404 1.00 0.00 C ATOM 543 CD LYS A 35 -19.594 0.431 -2.137 1.00 0.00 C ATOM 544 CE LYS A 35 -20.319 -0.909 -2.267 1.00 0.00 C ATOM 545 NZ LYS A 35 -21.391 -0.797 -3.296 1.00 0.00 N ATOM 0 H LYS A 35 -15.540 -0.033 -0.317 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.456 0.128 1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -19.406 0.138 0.430 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.475 1.610 0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -17.500 0.872 -1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.924 -0.803 -1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.216 1.142 -1.592 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.414 0.856 -3.124 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -19.613 -1.691 -2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -20.750 -1.196 -1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -21.884 -1.708 -3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.070 -0.062 -3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -20.968 -0.542 -4.211 1.00 0.00 H new ATOM 559 N VAL A 36 -16.117 -2.184 0.744 1.00 0.00 N ATOM 560 CA VAL A 36 -15.993 -3.656 0.555 1.00 0.00 C ATOM 561 C VAL A 36 -14.830 -4.175 1.408 1.00 0.00 C ATOM 562 O VAL A 36 -13.896 -4.749 0.889 1.00 0.00 O ATOM 563 CB VAL A 36 -15.713 -3.955 -0.920 1.00 0.00 C ATOM 564 CG1 VAL A 36 -16.025 -5.423 -1.215 1.00 0.00 C ATOM 565 CG2 VAL A 36 -16.592 -3.061 -1.799 1.00 0.00 C ATOM 0 H VAL A 36 -15.239 -1.699 0.931 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.919 -4.146 0.857 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.663 -3.758 -1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.825 -5.633 -2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.398 -6.061 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.074 -5.623 -0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.392 -3.274 -2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.642 -3.257 -1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.368 -2.014 -1.592 1.00 0.00 H new ATOM 575 N PRO A 37 -14.920 -3.948 2.695 1.00 0.00 N ATOM 576 CA PRO A 37 -13.879 -4.374 3.652 1.00 0.00 C ATOM 577 C PRO A 37 -13.990 -5.875 3.944 1.00 0.00 C ATOM 578 O PRO A 37 -14.919 -6.523 3.504 1.00 0.00 O ATOM 579 CB PRO A 37 -14.199 -3.558 4.909 1.00 0.00 C ATOM 580 CG PRO A 37 -15.689 -3.159 4.807 1.00 0.00 C ATOM 581 CD PRO A 37 -16.065 -3.248 3.317 1.00 0.00 C ATOM 0 HA PRO A 37 -12.867 -4.212 3.280 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.015 -4.145 5.809 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.564 -2.674 4.970 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.311 -3.826 5.404 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -15.847 -2.150 5.187 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -16.994 -3.799 3.173 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.210 -2.259 2.883 1.00 0.00 H new ATOM 589 N PRO A 38 -13.047 -6.375 4.706 1.00 0.00 N ATOM 590 CA PRO A 38 -11.921 -5.582 5.236 1.00 0.00 C ATOM 591 C PRO A 38 -10.781 -5.517 4.217 1.00 0.00 C ATOM 592 O PRO A 38 -10.708 -6.315 3.305 1.00 0.00 O ATOM 593 CB PRO A 38 -11.479 -6.380 6.464 1.00 0.00 C ATOM 594 CG PRO A 38 -11.951 -7.837 6.229 1.00 0.00 C ATOM 595 CD PRO A 38 -13.039 -7.784 5.140 1.00 0.00 C ATOM 0 HA PRO A 38 -12.196 -4.551 5.461 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.397 -6.337 6.587 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.919 -5.970 7.373 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.119 -8.466 5.913 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.346 -8.268 7.149 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.807 -8.454 4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.010 -8.086 5.532 1.00 0.00 H new ATOM 603 N HIS A 39 -9.885 -4.579 4.373 1.00 0.00 N ATOM 604 CA HIS A 39 -8.748 -4.471 3.417 1.00 0.00 C ATOM 605 C HIS A 39 -7.425 -4.626 4.165 1.00 0.00 C ATOM 606 O HIS A 39 -7.261 -4.148 5.269 1.00 0.00 O ATOM 607 CB HIS A 39 -8.778 -3.103 2.733 1.00 0.00 C ATOM 608 CG HIS A 39 -9.961 -3.036 1.814 1.00 0.00 C ATOM 609 ND1 HIS A 39 -9.837 -3.194 0.438 1.00 0.00 N ATOM 610 CD2 HIS A 39 -11.296 -2.848 2.061 1.00 0.00 C ATOM 611 CE1 HIS A 39 -11.080 -3.097 -0.080 1.00 0.00 C ATOM 612 NE2 HIS A 39 -11.992 -2.894 0.868 1.00 0.00 N ATOM 0 H HIS A 39 -9.892 -3.885 5.120 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.839 -5.258 2.669 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.837 -2.311 3.480 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.857 -2.944 2.172 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -8.973 -3.353 -0.080 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.735 -2.689 3.035 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.306 -3.175 -1.133 1.00 0.00 H new ATOM 620 N ASN A 40 -6.476 -5.284 3.561 1.00 0.00 N ATOM 621 CA ASN A 40 -5.154 -5.467 4.218 1.00 0.00 C ATOM 622 C ASN A 40 -4.053 -5.083 3.229 1.00 0.00 C ATOM 623 O ASN A 40 -4.004 -5.578 2.120 1.00 0.00 O ATOM 624 CB ASN A 40 -4.983 -6.930 4.632 1.00 0.00 C ATOM 625 CG ASN A 40 -6.236 -7.403 5.371 1.00 0.00 C ATOM 626 OD1 ASN A 40 -6.623 -8.550 5.263 1.00 0.00 O ATOM 627 ND2 ASN A 40 -6.892 -6.564 6.125 1.00 0.00 N ATOM 0 H ASN A 40 -6.560 -5.705 2.636 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.092 -4.836 5.105 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -4.812 -7.550 3.752 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.108 -7.037 5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.728 -6.871 6.622 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.569 -5.601 6.217 1.00 0.00 H new ATOM 634 N VAL A 41 -3.173 -4.202 3.615 1.00 0.00 N ATOM 635 CA VAL A 41 -2.083 -3.788 2.689 1.00 0.00 C ATOM 636 C VAL A 41 -0.801 -4.548 3.051 1.00 0.00 C ATOM 637 O VAL A 41 -0.446 -4.677 4.206 1.00 0.00 O ATOM 638 CB VAL A 41 -1.887 -2.259 2.798 1.00 0.00 C ATOM 639 CG1 VAL A 41 -0.417 -1.895 3.055 1.00 0.00 C ATOM 640 CG2 VAL A 41 -2.342 -1.605 1.492 1.00 0.00 C ATOM 0 H VAL A 41 -3.161 -3.751 4.530 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.339 -4.028 1.657 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.479 -1.898 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.317 -0.812 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.087 -2.352 3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.198 -2.263 2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.207 -0.525 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.749 -1.994 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.395 -1.829 1.320 1.00 0.00 H new ATOM 650 N VAL A 42 -0.107 -5.051 2.068 1.00 0.00 N ATOM 651 CA VAL A 42 1.148 -5.801 2.346 1.00 0.00 C ATOM 652 C VAL A 42 2.196 -5.437 1.294 1.00 0.00 C ATOM 653 O VAL A 42 1.939 -4.668 0.389 1.00 0.00 O ATOM 654 CB VAL A 42 0.866 -7.305 2.296 1.00 0.00 C ATOM 655 CG1 VAL A 42 1.931 -8.057 3.097 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.512 -7.585 2.901 1.00 0.00 C ATOM 0 H VAL A 42 -0.356 -4.974 1.082 1.00 0.00 H new ATOM 0 HA VAL A 42 1.521 -5.539 3.336 1.00 0.00 H new ATOM 0 HB VAL A 42 0.888 -7.641 1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.727 -9.127 3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.914 -7.860 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.912 -7.721 4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.714 -8.656 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.530 -7.246 3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.274 -7.053 2.332 1.00 0.00 H new ATOM 666 N PHE A 43 3.378 -5.976 1.407 1.00 0.00 N ATOM 667 CA PHE A 43 4.440 -5.654 0.415 1.00 0.00 C ATOM 668 C PHE A 43 5.191 -6.932 0.039 1.00 0.00 C ATOM 669 O PHE A 43 5.762 -7.599 0.879 1.00 0.00 O ATOM 670 CB PHE A 43 5.407 -4.638 1.028 1.00 0.00 C ATOM 671 CG PHE A 43 4.612 -3.512 1.634 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.016 -3.681 2.887 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.466 -2.304 0.944 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.275 -2.641 3.454 1.00 0.00 C ATOM 675 CE2 PHE A 43 3.723 -1.263 1.513 1.00 0.00 C ATOM 676 CZ PHE A 43 3.128 -1.433 2.769 1.00 0.00 C ATOM 0 H PHE A 43 3.654 -6.625 2.144 1.00 0.00 H new ATOM 0 HA PHE A 43 3.992 -5.229 -0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.024 -5.116 1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.084 -4.254 0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.128 -4.615 3.417 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.925 -2.175 -0.025 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.816 -2.771 4.423 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.609 -0.329 0.983 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.555 -0.630 3.208 1.00 0.00 H new ATOM 686 N ASP A 44 5.187 -7.280 -1.219 1.00 0.00 N ATOM 687 CA ASP A 44 5.890 -8.518 -1.659 1.00 0.00 C ATOM 688 C ASP A 44 7.348 -8.480 -1.192 1.00 0.00 C ATOM 689 O ASP A 44 7.726 -7.671 -0.369 1.00 0.00 O ATOM 690 CB ASP A 44 5.842 -8.608 -3.186 1.00 0.00 C ATOM 691 CG ASP A 44 5.859 -10.076 -3.613 1.00 0.00 C ATOM 692 OD1 ASP A 44 5.149 -10.859 -3.003 1.00 0.00 O ATOM 693 OD2 ASP A 44 6.581 -10.393 -4.545 1.00 0.00 O ATOM 0 H ASP A 44 4.725 -6.758 -1.964 1.00 0.00 H new ATOM 0 HA ASP A 44 5.399 -9.389 -1.224 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.943 -8.120 -3.561 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.694 -8.083 -3.618 1.00 0.00 H new ATOM 698 N ALA A 45 8.170 -9.352 -1.712 1.00 0.00 N ATOM 699 CA ALA A 45 9.597 -9.370 -1.298 1.00 0.00 C ATOM 700 C ALA A 45 10.468 -9.811 -2.476 1.00 0.00 C ATOM 701 O ALA A 45 11.548 -10.339 -2.299 1.00 0.00 O ATOM 702 CB ALA A 45 9.779 -10.348 -0.136 1.00 0.00 C ATOM 0 H ALA A 45 7.911 -10.053 -2.407 1.00 0.00 H new ATOM 0 HA ALA A 45 9.894 -8.370 -0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.826 -10.361 0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.161 -10.033 0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.480 -11.348 -0.452 1.00 0.00 H new ATOM 708 N ALA A 46 10.008 -9.598 -3.679 1.00 0.00 N ATOM 709 CA ALA A 46 10.812 -10.005 -4.866 1.00 0.00 C ATOM 710 C ALA A 46 11.131 -8.771 -5.711 1.00 0.00 C ATOM 711 O ALA A 46 11.927 -8.823 -6.627 1.00 0.00 O ATOM 712 CB ALA A 46 10.014 -11.005 -5.704 1.00 0.00 C ATOM 0 H ALA A 46 9.111 -9.160 -3.891 1.00 0.00 H new ATOM 0 HA ALA A 46 11.741 -10.469 -4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.602 -11.303 -6.572 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.786 -11.884 -5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.085 -10.542 -6.036 1.00 0.00 H new ATOM 718 N LEU A 47 10.517 -7.660 -5.409 1.00 0.00 N ATOM 719 CA LEU A 47 10.788 -6.423 -6.194 1.00 0.00 C ATOM 720 C LEU A 47 11.545 -5.425 -5.318 1.00 0.00 C ATOM 721 O LEU A 47 11.123 -4.300 -5.134 1.00 0.00 O ATOM 722 CB LEU A 47 9.464 -5.804 -6.648 1.00 0.00 C ATOM 723 CG LEU A 47 8.641 -6.849 -7.403 1.00 0.00 C ATOM 724 CD1 LEU A 47 7.153 -6.602 -7.154 1.00 0.00 C ATOM 725 CD2 LEU A 47 8.931 -6.738 -8.902 1.00 0.00 C ATOM 0 H LEU A 47 9.840 -7.556 -4.653 1.00 0.00 H new ATOM 0 HA LEU A 47 11.389 -6.670 -7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.906 -5.441 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.654 -4.944 -7.289 1.00 0.00 H new ATOM 0 HG LEU A 47 8.908 -7.846 -7.052 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.566 -7.346 -7.692 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.945 -6.678 -6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.886 -5.606 -7.506 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.345 -7.482 -9.442 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.662 -5.741 -9.252 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.992 -6.912 -9.081 1.00 0.00 H new ATOM 737 N ASN A 48 12.661 -5.827 -4.774 1.00 0.00 N ATOM 738 CA ASN A 48 13.445 -4.903 -3.909 1.00 0.00 C ATOM 739 C ASN A 48 14.840 -4.702 -4.509 1.00 0.00 C ATOM 740 O ASN A 48 15.344 -5.561 -5.204 1.00 0.00 O ATOM 741 CB ASN A 48 13.575 -5.503 -2.508 1.00 0.00 C ATOM 742 CG ASN A 48 13.656 -7.027 -2.612 1.00 0.00 C ATOM 743 OD1 ASN A 48 14.016 -7.558 -3.644 1.00 0.00 O ATOM 744 ND2 ASN A 48 13.332 -7.759 -1.581 1.00 0.00 N ATOM 0 H ASN A 48 13.064 -6.757 -4.892 1.00 0.00 H new ATOM 0 HA ASN A 48 12.934 -3.942 -3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.466 -5.114 -2.015 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.720 -5.214 -1.896 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.381 -8.776 -1.642 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.030 -7.314 -0.714 1.00 0.00 H new ATOM 751 N PRO A 49 15.421 -3.566 -4.219 1.00 0.00 N ATOM 752 CA PRO A 49 16.763 -3.210 -4.713 1.00 0.00 C ATOM 753 C PRO A 49 17.845 -3.926 -3.900 1.00 0.00 C ATOM 754 O PRO A 49 18.971 -4.066 -4.336 1.00 0.00 O ATOM 755 CB PRO A 49 16.832 -1.695 -4.500 1.00 0.00 C ATOM 756 CG PRO A 49 15.794 -1.361 -3.402 1.00 0.00 C ATOM 757 CD PRO A 49 14.792 -2.530 -3.374 1.00 0.00 C ATOM 0 HA PRO A 49 16.927 -3.499 -5.751 1.00 0.00 H new ATOM 0 HB2 PRO A 49 17.833 -1.391 -4.194 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.606 -1.162 -5.424 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.279 -1.243 -2.433 1.00 0.00 H new ATOM 0 HG3 PRO A 49 15.287 -0.421 -3.621 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.628 -2.890 -2.358 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.820 -2.231 -3.767 1.00 0.00 H new ATOM 765 N ALA A 50 17.518 -4.380 -2.720 1.00 0.00 N ATOM 766 CA ALA A 50 18.536 -5.082 -1.889 1.00 0.00 C ATOM 767 C ALA A 50 17.997 -6.445 -1.456 1.00 0.00 C ATOM 768 O ALA A 50 18.351 -6.959 -0.414 1.00 0.00 O ATOM 769 CB ALA A 50 18.857 -4.238 -0.653 1.00 0.00 C ATOM 0 H ALA A 50 16.593 -4.295 -2.297 1.00 0.00 H new ATOM 0 HA ALA A 50 19.444 -5.226 -2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 50 19.602 -4.752 -0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 50 19.248 -3.270 -0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 50 17.950 -4.091 -0.067 1.00 0.00 H new ATOM 775 N LYS A 51 17.152 -7.029 -2.264 1.00 0.00 N ATOM 776 CA LYS A 51 16.571 -8.370 -1.936 1.00 0.00 C ATOM 777 C LYS A 51 16.364 -8.505 -0.424 1.00 0.00 C ATOM 778 O LYS A 51 16.910 -9.387 0.209 1.00 0.00 O ATOM 779 CB LYS A 51 17.515 -9.477 -2.423 1.00 0.00 C ATOM 780 CG LYS A 51 18.952 -8.954 -2.475 1.00 0.00 C ATOM 781 CD LYS A 51 19.904 -10.108 -2.794 1.00 0.00 C ATOM 782 CE LYS A 51 20.163 -10.156 -4.301 1.00 0.00 C ATOM 783 NZ LYS A 51 19.686 -11.459 -4.845 1.00 0.00 N ATOM 0 H LYS A 51 16.834 -6.631 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 51 15.607 -8.465 -2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 51 17.456 -10.336 -1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 51 17.208 -9.820 -3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 51 19.040 -8.176 -3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 51 19.220 -8.501 -1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.843 -9.977 -2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 51 19.474 -11.052 -2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 51 19.648 -9.333 -4.796 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.227 -10.033 -4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 19.862 -11.493 -5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 20.197 -12.237 -4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 18.666 -11.558 -4.665 1.00 0.00 H new ATOM 797 N SER A 52 15.582 -7.639 0.161 1.00 0.00 N ATOM 798 CA SER A 52 15.346 -7.723 1.631 1.00 0.00 C ATOM 799 C SER A 52 13.846 -7.612 1.916 1.00 0.00 C ATOM 800 O SER A 52 13.057 -7.332 1.035 1.00 0.00 O ATOM 801 CB SER A 52 16.086 -6.582 2.330 1.00 0.00 C ATOM 802 OG SER A 52 17.440 -6.566 1.897 1.00 0.00 O ATOM 0 H SER A 52 15.097 -6.878 -0.314 1.00 0.00 H new ATOM 0 HA SER A 52 15.715 -8.678 2.005 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.608 -5.629 2.102 1.00 0.00 H new ATOM 0 HB3 SER A 52 16.039 -6.711 3.411 1.00 0.00 H new ATOM 0 HG SER A 52 17.471 -6.452 0.924 1.00 0.00 H new ATOM 808 N ALA A 53 13.446 -7.832 3.140 1.00 0.00 N ATOM 809 CA ALA A 53 11.996 -7.741 3.476 1.00 0.00 C ATOM 810 C ALA A 53 11.829 -7.364 4.951 1.00 0.00 C ATOM 811 O ALA A 53 10.770 -7.524 5.525 1.00 0.00 O ATOM 812 CB ALA A 53 11.327 -9.093 3.220 1.00 0.00 C ATOM 0 H ALA A 53 14.059 -8.070 3.920 1.00 0.00 H new ATOM 0 HA ALA A 53 11.530 -6.978 2.853 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.267 -9.027 3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.440 -9.362 2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.797 -9.855 3.842 1.00 0.00 H new ATOM 818 N ASP A 54 12.864 -6.865 5.570 1.00 0.00 N ATOM 819 CA ASP A 54 12.758 -6.483 7.005 1.00 0.00 C ATOM 820 C ASP A 54 11.887 -5.233 7.136 1.00 0.00 C ATOM 821 O ASP A 54 11.316 -4.969 8.176 1.00 0.00 O ATOM 822 CB ASP A 54 14.154 -6.198 7.563 1.00 0.00 C ATOM 823 CG ASP A 54 14.955 -5.382 6.546 1.00 0.00 C ATOM 824 OD1 ASP A 54 15.095 -5.843 5.425 1.00 0.00 O ATOM 825 OD2 ASP A 54 15.416 -4.311 6.906 1.00 0.00 O ATOM 0 H ASP A 54 13.777 -6.706 5.144 1.00 0.00 H new ATOM 0 HA ASP A 54 12.305 -7.300 7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.077 -5.652 8.503 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.668 -7.134 7.780 1.00 0.00 H new ATOM 830 N LEU A 55 11.779 -4.461 6.090 1.00 0.00 N ATOM 831 CA LEU A 55 10.944 -3.230 6.158 1.00 0.00 C ATOM 832 C LEU A 55 9.497 -3.574 5.800 1.00 0.00 C ATOM 833 O LEU A 55 8.573 -2.923 6.238 1.00 0.00 O ATOM 834 CB LEU A 55 11.490 -2.184 5.179 1.00 0.00 C ATOM 835 CG LEU A 55 11.097 -2.551 3.745 1.00 0.00 C ATOM 836 CD1 LEU A 55 9.995 -1.607 3.260 1.00 0.00 C ATOM 837 CD2 LEU A 55 12.317 -2.416 2.831 1.00 0.00 C ATOM 0 H LEU A 55 12.233 -4.630 5.192 1.00 0.00 H new ATOM 0 HA LEU A 55 10.976 -2.823 7.169 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.098 -1.199 5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.575 -2.126 5.264 1.00 0.00 H new ATOM 0 HG LEU A 55 10.734 -3.579 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.715 -1.868 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.125 -1.699 3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.359 -0.580 3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.038 -2.677 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.679 -1.388 2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.105 -3.086 3.174 1.00 0.00 H new ATOM 849 N ALA A 56 9.294 -4.590 5.006 1.00 0.00 N ATOM 850 CA ALA A 56 7.905 -4.968 4.617 1.00 0.00 C ATOM 851 C ALA A 56 7.246 -5.768 5.744 1.00 0.00 C ATOM 852 O ALA A 56 6.048 -5.710 5.937 1.00 0.00 O ATOM 853 CB ALA A 56 7.946 -5.819 3.346 1.00 0.00 C ATOM 0 H ALA A 56 10.030 -5.175 4.610 1.00 0.00 H new ATOM 0 HA ALA A 56 7.326 -4.063 4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.931 -6.096 3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.406 -5.247 2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.530 -6.721 3.531 1.00 0.00 H new ATOM 859 N LYS A 57 8.014 -6.516 6.487 1.00 0.00 N ATOM 860 CA LYS A 57 7.420 -7.318 7.594 1.00 0.00 C ATOM 861 C LYS A 57 6.691 -6.391 8.571 1.00 0.00 C ATOM 862 O LYS A 57 5.711 -6.769 9.183 1.00 0.00 O ATOM 863 CB LYS A 57 8.529 -8.071 8.334 1.00 0.00 C ATOM 864 CG LYS A 57 9.671 -7.108 8.665 1.00 0.00 C ATOM 865 CD LYS A 57 10.381 -7.573 9.938 1.00 0.00 C ATOM 866 CE LYS A 57 10.859 -9.015 9.759 1.00 0.00 C ATOM 867 NZ LYS A 57 10.749 -9.739 11.057 1.00 0.00 N ATOM 0 H LYS A 57 9.024 -6.607 6.376 1.00 0.00 H new ATOM 0 HA LYS A 57 6.710 -8.033 7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.135 -8.512 9.250 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.898 -8.891 7.719 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.378 -7.067 7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.282 -6.099 8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.228 -6.922 10.153 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.704 -7.506 10.790 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.260 -9.516 8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.892 -9.027 9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.074 -10.720 10.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.339 -9.264 11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.758 -9.739 11.372 1.00 0.00 H new ATOM 881 N SER A 58 7.160 -5.183 8.726 1.00 0.00 N ATOM 882 CA SER A 58 6.491 -4.242 9.670 1.00 0.00 C ATOM 883 C SER A 58 5.692 -3.193 8.889 1.00 0.00 C ATOM 884 O SER A 58 4.947 -2.421 9.459 1.00 0.00 O ATOM 885 CB SER A 58 7.550 -3.545 10.525 1.00 0.00 C ATOM 886 OG SER A 58 8.256 -2.605 9.727 1.00 0.00 O ATOM 0 H SER A 58 7.975 -4.807 8.241 1.00 0.00 H new ATOM 0 HA SER A 58 5.810 -4.802 10.311 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.078 -3.041 11.369 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.241 -4.280 10.938 1.00 0.00 H new ATOM 0 HG SER A 58 8.934 -2.156 10.274 1.00 0.00 H new ATOM 892 N LEU A 59 5.835 -3.157 7.592 1.00 0.00 N ATOM 893 CA LEU A 59 5.077 -2.152 6.789 1.00 0.00 C ATOM 894 C LEU A 59 3.651 -2.654 6.568 1.00 0.00 C ATOM 895 O LEU A 59 2.715 -1.883 6.484 1.00 0.00 O ATOM 896 CB LEU A 59 5.752 -1.969 5.428 1.00 0.00 C ATOM 897 CG LEU A 59 5.554 -0.538 4.930 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.207 0.442 5.908 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.214 -0.396 3.556 1.00 0.00 C ATOM 0 H LEU A 59 6.441 -3.777 7.054 1.00 0.00 H new ATOM 0 HA LEU A 59 5.060 -1.202 7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.816 -2.190 5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.334 -2.673 4.709 1.00 0.00 H new ATOM 0 HG LEU A 59 4.489 -0.318 4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.064 1.462 5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.749 0.335 6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.273 0.228 5.980 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.079 0.622 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.279 -0.613 3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.755 -1.096 2.858 1.00 0.00 H new ATOM 911 N SER A 60 3.481 -3.942 6.454 1.00 0.00 N ATOM 912 CA SER A 60 2.120 -4.499 6.215 1.00 0.00 C ATOM 913 C SER A 60 1.326 -4.530 7.522 1.00 0.00 C ATOM 914 O SER A 60 1.826 -4.920 8.559 1.00 0.00 O ATOM 915 CB SER A 60 2.253 -5.921 5.673 1.00 0.00 C ATOM 916 OG SER A 60 3.446 -6.017 4.906 1.00 0.00 O ATOM 0 H SER A 60 4.227 -4.634 6.516 1.00 0.00 H new ATOM 0 HA SER A 60 1.595 -3.870 5.496 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.276 -6.636 6.495 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.389 -6.171 5.057 1.00 0.00 H new ATOM 0 HG SER A 60 3.796 -6.931 4.959 1.00 0.00 H new ATOM 922 N HIS A 61 0.084 -4.127 7.474 1.00 0.00 N ATOM 923 CA HIS A 61 -0.757 -4.136 8.705 1.00 0.00 C ATOM 924 C HIS A 61 -1.926 -5.102 8.503 1.00 0.00 C ATOM 925 O HIS A 61 -2.949 -4.747 7.952 1.00 0.00 O ATOM 926 CB HIS A 61 -1.296 -2.727 8.976 1.00 0.00 C ATOM 927 CG HIS A 61 -1.485 -1.993 7.677 1.00 0.00 C ATOM 928 ND1 HIS A 61 -0.674 -0.926 7.307 1.00 0.00 N ATOM 929 CD2 HIS A 61 -2.387 -2.156 6.654 1.00 0.00 C ATOM 930 CE1 HIS A 61 -1.107 -0.495 6.105 1.00 0.00 C ATOM 931 NE2 HIS A 61 -2.144 -1.210 5.669 1.00 0.00 N ATOM 0 H HIS A 61 -0.385 -3.791 6.633 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.156 -4.456 9.556 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.244 -2.787 9.511 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.603 -2.180 9.616 1.00 0.00 H new ATOM 0 HD1 HIS A 61 0.103 -0.541 7.844 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.165 -2.905 6.622 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.667 0.329 5.562 1.00 0.00 H new ATOM 939 N LYS A 62 -1.778 -6.324 8.936 1.00 0.00 N ATOM 940 CA LYS A 62 -2.875 -7.318 8.761 1.00 0.00 C ATOM 941 C LYS A 62 -4.130 -6.850 9.504 1.00 0.00 C ATOM 942 O LYS A 62 -5.202 -7.388 9.319 1.00 0.00 O ATOM 943 CB LYS A 62 -2.428 -8.672 9.316 1.00 0.00 C ATOM 944 CG LYS A 62 -1.856 -9.525 8.181 1.00 0.00 C ATOM 945 CD LYS A 62 -0.760 -10.440 8.731 1.00 0.00 C ATOM 946 CE LYS A 62 -1.174 -11.900 8.544 1.00 0.00 C ATOM 947 NZ LYS A 62 -0.047 -12.662 7.933 1.00 0.00 N ATOM 0 H LYS A 62 -0.944 -6.678 9.404 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.104 -7.414 7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.676 -8.529 10.092 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.271 -9.183 9.780 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.647 -10.121 7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.450 -8.883 7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.181 -10.249 8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.593 -10.231 9.788 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.445 -12.338 9.505 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.056 -11.960 7.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.328 -13.655 7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.191 -12.248 7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.783 -12.615 8.558 1.00 0.00 H new ATOM 961 N GLN A 63 -4.009 -5.856 10.342 1.00 0.00 N ATOM 962 CA GLN A 63 -5.201 -5.362 11.091 1.00 0.00 C ATOM 963 C GLN A 63 -6.403 -5.271 10.147 1.00 0.00 C ATOM 964 O GLN A 63 -6.365 -4.589 9.142 1.00 0.00 O ATOM 965 CB GLN A 63 -4.902 -3.978 11.670 1.00 0.00 C ATOM 966 CG GLN A 63 -5.779 -3.740 12.900 1.00 0.00 C ATOM 967 CD GLN A 63 -5.260 -2.523 13.667 1.00 0.00 C ATOM 968 OE1 GLN A 63 -4.089 -2.444 13.982 1.00 0.00 O ATOM 969 NE2 GLN A 63 -6.086 -1.563 13.982 1.00 0.00 N ATOM 0 H GLN A 63 -3.137 -5.365 10.540 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.430 -6.055 11.901 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.849 -3.905 11.941 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.092 -3.210 10.921 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.813 -3.578 12.597 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.769 -4.620 13.543 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.069 -1.629 13.718 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.749 -0.747 14.492 1.00 0.00 H new ATOM 978 N LEU A 64 -7.470 -5.956 10.462 1.00 0.00 N ATOM 979 CA LEU A 64 -8.676 -5.915 9.587 1.00 0.00 C ATOM 980 C LEU A 64 -9.257 -4.499 9.569 1.00 0.00 C ATOM 981 O LEU A 64 -9.619 -3.953 10.592 1.00 0.00 O ATOM 982 CB LEU A 64 -9.737 -6.884 10.127 1.00 0.00 C ATOM 983 CG LEU A 64 -9.138 -8.281 10.374 1.00 0.00 C ATOM 984 CD1 LEU A 64 -7.972 -8.552 9.419 1.00 0.00 C ATOM 985 CD2 LEU A 64 -8.647 -8.383 11.821 1.00 0.00 C ATOM 0 H LEU A 64 -7.558 -6.544 11.291 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.391 -6.205 8.576 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.151 -6.493 11.056 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.561 -6.959 9.417 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.914 -9.024 10.194 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.566 -9.545 9.613 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.325 -8.500 8.389 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.194 -7.805 9.574 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.224 -9.373 11.993 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.884 -7.626 12.000 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.484 -8.223 12.501 1.00 0.00 H new ATOM 997 N LEU A 65 -9.360 -3.905 8.411 1.00 0.00 N ATOM 998 CA LEU A 65 -9.929 -2.530 8.327 1.00 0.00 C ATOM 999 C LEU A 65 -11.455 -2.618 8.276 1.00 0.00 C ATOM 1000 O LEU A 65 -12.041 -2.769 7.222 1.00 0.00 O ATOM 1001 CB LEU A 65 -9.421 -1.839 7.061 1.00 0.00 C ATOM 1002 CG LEU A 65 -8.002 -1.322 7.295 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -7.118 -2.463 7.800 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -7.437 -0.782 5.979 1.00 0.00 C ATOM 0 H LEU A 65 -9.075 -4.312 7.520 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.621 -1.956 9.201 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.431 -2.537 6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.081 -1.013 6.795 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.022 -0.525 8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.106 -2.093 7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.522 -2.849 8.736 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.095 -3.261 7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.425 -0.412 6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.417 -1.580 5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.067 0.032 5.619 1.00 0.00 H new ATOM 1016 N MET A 66 -12.103 -2.525 9.403 1.00 0.00 N ATOM 1017 CA MET A 66 -13.590 -2.604 9.412 1.00 0.00 C ATOM 1018 C MET A 66 -14.176 -1.190 9.429 1.00 0.00 C ATOM 1019 O MET A 66 -15.371 -1.003 9.316 1.00 0.00 O ATOM 1020 CB MET A 66 -14.052 -3.367 10.656 1.00 0.00 C ATOM 1021 CG MET A 66 -15.224 -4.281 10.292 1.00 0.00 C ATOM 1022 SD MET A 66 -14.656 -5.565 9.148 1.00 0.00 S ATOM 1023 CE MET A 66 -16.161 -6.570 9.165 1.00 0.00 C ATOM 0 H MET A 66 -11.668 -2.398 10.317 1.00 0.00 H new ATOM 0 HA MET A 66 -13.933 -3.126 8.519 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.229 -3.957 11.059 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.353 -2.666 11.434 1.00 0.00 H new ATOM 0 HG2 MET A 66 -15.636 -4.737 11.192 1.00 0.00 H new ATOM 0 HG3 MET A 66 -16.024 -3.699 9.834 1.00 0.00 H new ATOM 0 HE1 MET A 66 -16.029 -7.433 8.513 1.00 0.00 H new ATOM 0 HE2 MET A 66 -16.360 -6.910 10.181 1.00 0.00 H new ATOM 0 HE3 MET A 66 -17.001 -5.973 8.811 1.00 0.00 H new ATOM 1033 N SER A 67 -13.345 -0.191 9.565 1.00 0.00 N ATOM 1034 CA SER A 67 -13.859 1.208 9.585 1.00 0.00 C ATOM 1035 C SER A 67 -14.023 1.709 8.145 1.00 0.00 C ATOM 1036 O SER A 67 -13.183 1.453 7.306 1.00 0.00 O ATOM 1037 CB SER A 67 -12.868 2.106 10.328 1.00 0.00 C ATOM 1038 OG SER A 67 -13.394 3.425 10.402 1.00 0.00 O ATOM 0 H SER A 67 -12.334 -0.284 9.663 1.00 0.00 H new ATOM 0 HA SER A 67 -14.823 1.235 10.093 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.688 1.717 11.330 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.908 2.113 9.812 1.00 0.00 H new ATOM 0 HG SER A 67 -13.148 3.827 11.261 1.00 0.00 H new ATOM 1044 N PRO A 68 -15.106 2.405 7.900 1.00 0.00 N ATOM 1045 CA PRO A 68 -15.413 2.951 6.566 1.00 0.00 C ATOM 1046 C PRO A 68 -14.615 4.231 6.304 1.00 0.00 C ATOM 1047 O PRO A 68 -15.044 5.319 6.636 1.00 0.00 O ATOM 1048 CB PRO A 68 -16.913 3.252 6.640 1.00 0.00 C ATOM 1049 CG PRO A 68 -17.255 3.406 8.142 1.00 0.00 C ATOM 1050 CD PRO A 68 -16.125 2.712 8.926 1.00 0.00 C ATOM 0 HA PRO A 68 -15.155 2.267 5.758 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.154 4.163 6.092 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.493 2.446 6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -17.327 4.458 8.417 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -18.219 2.951 8.368 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -15.723 3.361 9.704 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -16.480 1.806 9.418 1.00 0.00 H new ATOM 1058 N GLY A 69 -13.461 4.114 5.703 1.00 0.00 N ATOM 1059 CA GLY A 69 -12.651 5.332 5.416 1.00 0.00 C ATOM 1060 C GLY A 69 -11.685 5.599 6.570 1.00 0.00 C ATOM 1061 O GLY A 69 -11.262 6.715 6.792 1.00 0.00 O ATOM 0 H GLY A 69 -13.046 3.233 5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.095 5.199 4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.307 6.191 5.274 1.00 0.00 H new ATOM 1065 N GLN A 70 -11.333 4.583 7.308 1.00 0.00 N ATOM 1066 CA GLN A 70 -10.394 4.781 8.447 1.00 0.00 C ATOM 1067 C GLN A 70 -9.381 3.636 8.471 1.00 0.00 C ATOM 1068 O GLN A 70 -9.596 2.619 9.100 1.00 0.00 O ATOM 1069 CB GLN A 70 -11.179 4.794 9.759 1.00 0.00 C ATOM 1070 CG GLN A 70 -10.527 5.773 10.738 1.00 0.00 C ATOM 1071 CD GLN A 70 -10.504 5.155 12.137 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -10.632 3.956 12.287 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -10.345 5.928 13.176 1.00 0.00 N ATOM 0 H GLN A 70 -11.655 3.625 7.172 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.871 5.730 8.329 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.213 5.085 9.573 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.202 3.793 10.191 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.512 6.006 10.415 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.080 6.712 10.753 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.237 6.935 13.051 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.328 5.526 14.113 1.00 0.00 H new ATOM 1082 N SER A 71 -8.278 3.788 7.789 1.00 0.00 N ATOM 1083 CA SER A 71 -7.260 2.701 7.777 1.00 0.00 C ATOM 1084 C SER A 71 -6.067 3.095 8.653 1.00 0.00 C ATOM 1085 O SER A 71 -6.112 4.064 9.385 1.00 0.00 O ATOM 1086 CB SER A 71 -6.759 2.485 6.361 1.00 0.00 C ATOM 1087 OG SER A 71 -6.507 3.746 5.755 1.00 0.00 O ATOM 0 H SER A 71 -8.039 4.615 7.242 1.00 0.00 H new ATOM 0 HA SER A 71 -7.719 1.789 8.158 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.849 1.886 6.372 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.498 1.931 5.782 1.00 0.00 H new ATOM 0 HG SER A 71 -5.541 3.868 5.644 1.00 0.00 H new ATOM 1093 N THR A 72 -4.990 2.363 8.556 1.00 0.00 N ATOM 1094 CA THR A 72 -3.777 2.702 9.350 1.00 0.00 C ATOM 1095 C THR A 72 -2.741 3.317 8.405 1.00 0.00 C ATOM 1096 O THR A 72 -2.360 2.718 7.419 1.00 0.00 O ATOM 1097 CB THR A 72 -3.203 1.430 9.980 1.00 0.00 C ATOM 1098 OG1 THR A 72 -1.886 1.687 10.448 1.00 0.00 O ATOM 1099 CG2 THR A 72 -3.166 0.313 8.935 1.00 0.00 C ATOM 0 H THR A 72 -4.899 1.542 7.958 1.00 0.00 H new ATOM 0 HA THR A 72 -4.031 3.406 10.142 1.00 0.00 H new ATOM 0 HB THR A 72 -3.832 1.123 10.815 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.518 0.874 10.853 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.757 -0.592 9.384 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.177 0.116 8.577 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.538 0.618 8.098 1.00 0.00 H new ATOM 1107 N SER A 73 -2.288 4.508 8.684 1.00 0.00 N ATOM 1108 CA SER A 73 -1.289 5.147 7.780 1.00 0.00 C ATOM 1109 C SER A 73 0.096 4.563 8.056 1.00 0.00 C ATOM 1110 O SER A 73 0.696 4.816 9.082 1.00 0.00 O ATOM 1111 CB SER A 73 -1.265 6.656 8.028 1.00 0.00 C ATOM 1112 OG SER A 73 -0.263 6.958 8.990 1.00 0.00 O ATOM 0 H SER A 73 -2.564 5.064 9.493 1.00 0.00 H new ATOM 0 HA SER A 73 -1.564 4.955 6.743 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.063 7.186 7.097 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.239 6.993 8.382 1.00 0.00 H new ATOM 0 HG SER A 73 -0.166 6.204 9.609 1.00 0.00 H new ATOM 1118 N THR A 74 0.607 3.782 7.144 1.00 0.00 N ATOM 1119 CA THR A 74 1.952 3.177 7.345 1.00 0.00 C ATOM 1120 C THR A 74 3.031 4.218 7.047 1.00 0.00 C ATOM 1121 O THR A 74 3.274 4.565 5.907 1.00 0.00 O ATOM 1122 CB THR A 74 2.126 1.985 6.399 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.011 1.114 6.529 1.00 0.00 O ATOM 1124 CG2 THR A 74 3.408 1.231 6.757 1.00 0.00 C ATOM 0 H THR A 74 0.149 3.537 6.266 1.00 0.00 H new ATOM 0 HA THR A 74 2.044 2.840 8.378 1.00 0.00 H new ATOM 0 HB THR A 74 2.192 2.342 5.371 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.507 1.347 7.336 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.531 0.383 6.084 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.263 1.900 6.659 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.344 0.872 7.784 1.00 0.00 H new ATOM 1132 N THR A 75 3.685 4.715 8.059 1.00 0.00 N ATOM 1133 CA THR A 75 4.752 5.727 7.829 1.00 0.00 C ATOM 1134 C THR A 75 6.027 5.014 7.383 1.00 0.00 C ATOM 1135 O THR A 75 6.817 4.571 8.192 1.00 0.00 O ATOM 1136 CB THR A 75 5.023 6.491 9.127 1.00 0.00 C ATOM 1137 OG1 THR A 75 3.792 6.934 9.680 1.00 0.00 O ATOM 1138 CG2 THR A 75 5.917 7.696 8.834 1.00 0.00 C ATOM 0 H THR A 75 3.527 4.464 9.035 1.00 0.00 H new ATOM 0 HA THR A 75 4.432 6.429 7.059 1.00 0.00 H new ATOM 0 HB THR A 75 5.525 5.834 9.838 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.964 7.422 10.512 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.110 8.240 9.759 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.861 7.354 8.411 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.418 8.355 8.123 1.00 0.00 H new ATOM 1146 N PHE A 76 6.230 4.896 6.100 1.00 0.00 N ATOM 1147 CA PHE A 76 7.451 4.207 5.604 1.00 0.00 C ATOM 1148 C PHE A 76 8.664 4.682 6.413 1.00 0.00 C ATOM 1149 O PHE A 76 8.638 5.746 6.998 1.00 0.00 O ATOM 1150 CB PHE A 76 7.646 4.526 4.121 1.00 0.00 C ATOM 1151 CG PHE A 76 6.812 3.574 3.293 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.500 3.261 3.683 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.351 2.999 2.137 1.00 0.00 C ATOM 1154 CE1 PHE A 76 4.735 2.378 2.913 1.00 0.00 C ATOM 1155 CE2 PHE A 76 6.585 2.116 1.371 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.279 1.806 1.759 1.00 0.00 C ATOM 0 H PHE A 76 5.603 5.247 5.376 1.00 0.00 H new ATOM 0 HA PHE A 76 7.344 3.129 5.723 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.354 5.556 3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.698 4.434 3.852 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.082 3.701 4.576 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.360 3.238 1.836 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.725 2.138 3.210 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.003 1.673 0.479 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.688 1.123 1.166 1.00 0.00 H new ATOM 1166 N PRO A 77 9.685 3.864 6.435 1.00 0.00 N ATOM 1167 CA PRO A 77 10.926 4.153 7.181 1.00 0.00 C ATOM 1168 C PRO A 77 11.803 5.170 6.451 1.00 0.00 C ATOM 1169 O PRO A 77 11.593 5.478 5.294 1.00 0.00 O ATOM 1170 CB PRO A 77 11.629 2.796 7.245 1.00 0.00 C ATOM 1171 CG PRO A 77 11.057 1.949 6.084 1.00 0.00 C ATOM 1172 CD PRO A 77 9.699 2.574 5.714 1.00 0.00 C ATOM 0 HA PRO A 77 10.725 4.588 8.160 1.00 0.00 H new ATOM 0 HB2 PRO A 77 12.708 2.913 7.145 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.449 2.311 8.204 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.733 1.956 5.229 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.936 0.909 6.386 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.607 2.718 4.638 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.870 1.937 6.022 1.00 0.00 H new ATOM 1180 N ALA A 78 12.802 5.676 7.124 1.00 0.00 N ATOM 1181 CA ALA A 78 13.720 6.656 6.484 1.00 0.00 C ATOM 1182 C ALA A 78 14.785 5.892 5.694 1.00 0.00 C ATOM 1183 O ALA A 78 15.735 6.463 5.197 1.00 0.00 O ATOM 1184 CB ALA A 78 14.394 7.506 7.563 1.00 0.00 C ATOM 0 H ALA A 78 13.021 5.450 8.094 1.00 0.00 H new ATOM 0 HA ALA A 78 13.158 7.307 5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.067 8.224 7.093 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.634 8.040 8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 78 14.963 6.860 8.232 1.00 0.00 H new ATOM 1190 N ASP A 79 14.628 4.599 5.571 1.00 0.00 N ATOM 1191 CA ASP A 79 15.620 3.793 4.811 1.00 0.00 C ATOM 1192 C ASP A 79 15.082 3.544 3.400 1.00 0.00 C ATOM 1193 O ASP A 79 15.780 3.036 2.545 1.00 0.00 O ATOM 1194 CB ASP A 79 15.846 2.455 5.520 1.00 0.00 C ATOM 1195 CG ASP A 79 17.134 2.524 6.344 1.00 0.00 C ATOM 1196 OD1 ASP A 79 18.010 3.288 5.975 1.00 0.00 O ATOM 1197 OD2 ASP A 79 17.221 1.812 7.331 1.00 0.00 O ATOM 0 H ASP A 79 13.852 4.068 5.967 1.00 0.00 H new ATOM 0 HA ASP A 79 16.567 4.331 4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.999 2.227 6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.913 1.650 4.788 1.00 0.00 H new ATOM 1202 N ALA A 80 13.844 3.907 3.157 1.00 0.00 N ATOM 1203 CA ALA A 80 13.244 3.712 1.801 1.00 0.00 C ATOM 1204 C ALA A 80 14.307 3.964 0.724 1.00 0.00 C ATOM 1205 O ALA A 80 14.572 5.097 0.373 1.00 0.00 O ATOM 1206 CB ALA A 80 12.097 4.709 1.611 1.00 0.00 C ATOM 0 H ALA A 80 13.222 4.332 3.844 1.00 0.00 H new ATOM 0 HA ALA A 80 12.871 2.691 1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.655 4.572 0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.338 4.540 2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.480 5.726 1.699 1.00 0.00 H new ATOM 1212 N PRO A 81 14.888 2.898 0.235 1.00 0.00 N ATOM 1213 CA PRO A 81 15.934 2.970 -0.802 1.00 0.00 C ATOM 1214 C PRO A 81 15.314 3.248 -2.176 1.00 0.00 C ATOM 1215 O PRO A 81 14.160 2.955 -2.418 1.00 0.00 O ATOM 1216 CB PRO A 81 16.577 1.581 -0.760 1.00 0.00 C ATOM 1217 CG PRO A 81 15.528 0.634 -0.131 1.00 0.00 C ATOM 1218 CD PRO A 81 14.558 1.524 0.668 1.00 0.00 C ATOM 0 HA PRO A 81 16.652 3.772 -0.630 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.849 1.249 -1.762 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.493 1.594 -0.169 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.997 0.077 -0.902 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.007 -0.098 0.519 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.519 1.276 0.450 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.697 1.401 1.742 1.00 0.00 H new ATOM 1226 N ALA A 82 16.073 3.814 -3.075 1.00 0.00 N ATOM 1227 CA ALA A 82 15.530 4.114 -4.430 1.00 0.00 C ATOM 1228 C ALA A 82 15.180 2.808 -5.144 1.00 0.00 C ATOM 1229 O ALA A 82 16.046 2.060 -5.553 1.00 0.00 O ATOM 1230 CB ALA A 82 16.579 4.873 -5.244 1.00 0.00 C ATOM 0 H ALA A 82 17.046 4.082 -2.929 1.00 0.00 H new ATOM 0 HA ALA A 82 14.633 4.725 -4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.182 5.092 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.827 5.806 -4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.477 4.262 -5.340 1.00 0.00 H new ATOM 1236 N GLY A 83 13.915 2.529 -5.298 1.00 0.00 N ATOM 1237 CA GLY A 83 13.506 1.274 -5.987 1.00 0.00 C ATOM 1238 C GLY A 83 11.985 1.246 -6.134 1.00 0.00 C ATOM 1239 O GLY A 83 11.299 2.180 -5.766 1.00 0.00 O ATOM 0 H GLY A 83 13.146 3.117 -4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.978 1.215 -6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.843 0.408 -5.418 1.00 0.00 H new ATOM 1243 N GLU A 84 11.450 0.184 -6.669 1.00 0.00 N ATOM 1244 CA GLU A 84 9.973 0.100 -6.839 1.00 0.00 C ATOM 1245 C GLU A 84 9.395 -0.897 -5.833 1.00 0.00 C ATOM 1246 O GLU A 84 9.997 -1.909 -5.529 1.00 0.00 O ATOM 1247 CB GLU A 84 9.651 -0.368 -8.260 1.00 0.00 C ATOM 1248 CG GLU A 84 10.397 -1.672 -8.548 1.00 0.00 C ATOM 1249 CD GLU A 84 11.766 -1.356 -9.154 1.00 0.00 C ATOM 1250 OE1 GLU A 84 12.120 -0.189 -9.193 1.00 0.00 O ATOM 1251 OE2 GLU A 84 12.437 -2.286 -9.569 1.00 0.00 O ATOM 0 H GLU A 84 11.972 -0.629 -6.996 1.00 0.00 H new ATOM 0 HA GLU A 84 9.533 1.082 -6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.577 -0.519 -8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.941 0.396 -8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.518 -2.244 -7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.818 -2.290 -9.234 1.00 0.00 H new ATOM 1258 N TYR A 85 8.229 -0.621 -5.317 1.00 0.00 N ATOM 1259 CA TYR A 85 7.606 -1.551 -4.334 1.00 0.00 C ATOM 1260 C TYR A 85 6.281 -2.060 -4.899 1.00 0.00 C ATOM 1261 O TYR A 85 5.758 -1.521 -5.854 1.00 0.00 O ATOM 1262 CB TYR A 85 7.351 -0.812 -3.020 1.00 0.00 C ATOM 1263 CG TYR A 85 8.639 -0.192 -2.537 1.00 0.00 C ATOM 1264 CD1 TYR A 85 9.158 0.934 -3.186 1.00 0.00 C ATOM 1265 CD2 TYR A 85 9.315 -0.744 -1.443 1.00 0.00 C ATOM 1266 CE1 TYR A 85 10.355 1.509 -2.741 1.00 0.00 C ATOM 1267 CE2 TYR A 85 10.511 -0.169 -0.997 1.00 0.00 C ATOM 1268 CZ TYR A 85 11.031 0.957 -1.645 1.00 0.00 C ATOM 1269 OH TYR A 85 12.211 1.523 -1.205 1.00 0.00 O ATOM 0 H TYR A 85 7.680 0.211 -5.534 1.00 0.00 H new ATOM 0 HA TYR A 85 8.275 -2.392 -4.149 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.595 -0.041 -3.164 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.963 -1.502 -2.271 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.635 1.360 -4.030 1.00 0.00 H new ATOM 0 HD2 TYR A 85 8.914 -1.613 -0.943 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.757 2.377 -3.242 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.033 -0.595 -0.152 1.00 0.00 H new ATOM 0 HH TYR A 85 12.650 1.984 -1.950 1.00 0.00 H new ATOM 1279 N THR A 86 5.733 -3.094 -4.325 1.00 0.00 N ATOM 1280 CA THR A 86 4.444 -3.627 -4.846 1.00 0.00 C ATOM 1281 C THR A 86 3.599 -4.172 -3.695 1.00 0.00 C ATOM 1282 O THR A 86 3.903 -5.199 -3.121 1.00 0.00 O ATOM 1283 CB THR A 86 4.725 -4.750 -5.846 1.00 0.00 C ATOM 1284 OG1 THR A 86 5.600 -4.271 -6.859 1.00 0.00 O ATOM 1285 CG2 THR A 86 3.412 -5.212 -6.478 1.00 0.00 C ATOM 0 H THR A 86 6.119 -3.591 -3.522 1.00 0.00 H new ATOM 0 HA THR A 86 3.899 -2.822 -5.339 1.00 0.00 H new ATOM 0 HB THR A 86 5.191 -5.589 -5.330 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.248 -4.519 -7.739 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.613 -6.012 -7.190 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.743 -5.579 -5.700 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.943 -4.375 -6.995 1.00 0.00 H new ATOM 1293 N PHE A 87 2.533 -3.498 -3.361 1.00 0.00 N ATOM 1294 CA PHE A 87 1.663 -3.983 -2.258 1.00 0.00 C ATOM 1295 C PHE A 87 0.377 -4.560 -2.850 1.00 0.00 C ATOM 1296 O PHE A 87 0.015 -4.266 -3.973 1.00 0.00 O ATOM 1297 CB PHE A 87 1.317 -2.836 -1.307 1.00 0.00 C ATOM 1298 CG PHE A 87 1.287 -1.546 -2.076 1.00 0.00 C ATOM 1299 CD1 PHE A 87 2.469 -0.828 -2.270 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.083 -1.075 -2.603 1.00 0.00 C ATOM 1301 CE1 PHE A 87 2.448 0.365 -2.993 1.00 0.00 C ATOM 1302 CE2 PHE A 87 0.058 0.119 -3.326 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.242 0.842 -3.523 1.00 0.00 C ATOM 0 H PHE A 87 2.228 -2.632 -3.806 1.00 0.00 H new ATOM 0 HA PHE A 87 2.194 -4.753 -1.699 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.349 -3.016 -0.838 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.053 -2.778 -0.506 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.398 -1.196 -1.861 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.829 -1.634 -2.451 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.362 0.921 -3.144 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.873 0.485 -3.733 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.225 1.766 -4.083 1.00 0.00 H new ATOM 1313 N TYR A 88 -0.319 -5.375 -2.108 1.00 0.00 N ATOM 1314 CA TYR A 88 -1.578 -5.960 -2.634 1.00 0.00 C ATOM 1315 C TYR A 88 -2.580 -6.133 -1.491 1.00 0.00 C ATOM 1316 O TYR A 88 -2.395 -5.616 -0.407 1.00 0.00 O ATOM 1317 CB TYR A 88 -1.288 -7.318 -3.280 1.00 0.00 C ATOM 1318 CG TYR A 88 -0.602 -8.223 -2.284 1.00 0.00 C ATOM 1319 CD1 TYR A 88 0.747 -8.020 -1.966 1.00 0.00 C ATOM 1320 CD2 TYR A 88 -1.313 -9.269 -1.683 1.00 0.00 C ATOM 1321 CE1 TYR A 88 1.384 -8.863 -1.047 1.00 0.00 C ATOM 1322 CE2 TYR A 88 -0.676 -10.111 -0.764 1.00 0.00 C ATOM 1323 CZ TYR A 88 0.672 -9.908 -0.446 1.00 0.00 C ATOM 1324 OH TYR A 88 1.299 -10.740 0.459 1.00 0.00 O ATOM 0 H TYR A 88 -0.069 -5.660 -1.161 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.000 -5.291 -3.384 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.217 -7.775 -3.620 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.657 -7.185 -4.159 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.296 -7.213 -2.430 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.353 -9.426 -1.929 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.424 -8.707 -0.802 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.225 -10.917 -0.300 1.00 0.00 H new ATOM 0 HH TYR A 88 0.662 -11.411 0.782 1.00 0.00 H new ATOM 1334 N CYS A 89 -3.643 -6.849 -1.728 1.00 0.00 N ATOM 1335 CA CYS A 89 -4.660 -7.047 -0.659 1.00 0.00 C ATOM 1336 C CYS A 89 -4.813 -8.539 -0.363 1.00 0.00 C ATOM 1337 O CYS A 89 -4.797 -9.363 -1.255 1.00 0.00 O ATOM 1338 CB CYS A 89 -6.002 -6.487 -1.131 1.00 0.00 C ATOM 1339 SG CYS A 89 -6.730 -5.466 0.172 1.00 0.00 S ATOM 0 H CYS A 89 -3.851 -7.306 -2.616 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.340 -6.530 0.245 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.862 -5.894 -2.035 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.678 -7.303 -1.387 1.00 0.00 H new ATOM 0 HG CYS A 89 -8.025 -5.575 0.136 1.00 0.00 H new ATOM 1344 N GLU A 90 -4.969 -8.892 0.882 1.00 0.00 N ATOM 1345 CA GLU A 90 -5.131 -10.329 1.233 1.00 0.00 C ATOM 1346 C GLU A 90 -6.551 -10.800 0.870 1.00 0.00 C ATOM 1347 O GLU A 90 -6.709 -11.854 0.288 1.00 0.00 O ATOM 1348 CB GLU A 90 -4.863 -10.526 2.733 1.00 0.00 C ATOM 1349 CG GLU A 90 -5.510 -11.828 3.218 1.00 0.00 C ATOM 1350 CD GLU A 90 -4.595 -12.505 4.240 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -3.485 -12.030 4.420 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -5.019 -13.487 4.826 1.00 0.00 O ATOM 0 H GLU A 90 -4.991 -8.247 1.672 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.415 -10.925 0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.789 -10.554 2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.261 -9.682 3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.481 -11.618 3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.686 -12.495 2.374 1.00 0.00 H new ATOM 1359 N PRO A 91 -7.548 -10.015 1.220 1.00 0.00 N ATOM 1360 CA PRO A 91 -8.951 -10.360 0.927 1.00 0.00 C ATOM 1361 C PRO A 91 -9.283 -10.064 -0.539 1.00 0.00 C ATOM 1362 O PRO A 91 -9.802 -10.904 -1.248 1.00 0.00 O ATOM 1363 CB PRO A 91 -9.751 -9.453 1.866 1.00 0.00 C ATOM 1364 CG PRO A 91 -8.825 -8.267 2.222 1.00 0.00 C ATOM 1365 CD PRO A 91 -7.383 -8.728 1.932 1.00 0.00 C ATOM 0 HA PRO A 91 -9.171 -11.417 1.077 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.663 -9.102 1.383 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.053 -9.993 2.763 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.077 -7.388 1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -8.939 -7.988 3.270 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.848 -8.001 1.321 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.812 -8.853 2.852 1.00 0.00 H new ATOM 1373 N HIS A 92 -8.988 -8.880 -1.001 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.289 -8.541 -2.422 1.00 0.00 C ATOM 1375 C HIS A 92 -8.083 -8.898 -3.294 1.00 0.00 C ATOM 1376 O HIS A 92 -7.687 -8.146 -4.163 1.00 0.00 O ATOM 1377 CB HIS A 92 -9.586 -7.044 -2.539 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.490 -6.626 -1.412 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -9.999 -6.024 -0.257 1.00 0.00 N ATOM 1380 CD2 HIS A 92 -11.849 -6.729 -1.239 1.00 0.00 C ATOM 1381 CE1 HIS A 92 -11.057 -5.800 0.548 1.00 0.00 C ATOM 1382 NE2 HIS A 92 -12.193 -6.211 -0.004 1.00 0.00 N ATOM 0 H HIS A 92 -8.553 -8.134 -0.458 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.159 -9.106 -2.757 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.658 -6.474 -2.506 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.058 -6.829 -3.498 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.540 -7.149 -1.955 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.989 -5.342 1.524 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -13.128 -6.156 0.400 1.00 0.00 H new ATOM 1390 N ARG A 93 -7.496 -10.042 -3.068 1.00 0.00 N ATOM 1391 CA ARG A 93 -6.316 -10.453 -3.881 1.00 0.00 C ATOM 1392 C ARG A 93 -6.710 -10.516 -5.359 1.00 0.00 C ATOM 1393 O ARG A 93 -6.129 -9.853 -6.195 1.00 0.00 O ATOM 1394 CB ARG A 93 -5.840 -11.834 -3.425 1.00 0.00 C ATOM 1395 CG ARG A 93 -4.362 -11.767 -3.035 1.00 0.00 C ATOM 1396 CD ARG A 93 -4.196 -12.210 -1.580 1.00 0.00 C ATOM 1397 NE ARG A 93 -3.645 -13.595 -1.541 1.00 0.00 N ATOM 1398 CZ ARG A 93 -4.116 -14.464 -0.688 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -4.294 -14.126 0.561 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -4.410 -15.673 -1.083 1.00 0.00 N ATOM 0 H ARG A 93 -7.784 -10.711 -2.354 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.514 -9.727 -3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.435 -12.173 -2.577 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.983 -12.561 -4.225 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.773 -12.408 -3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.987 -10.751 -3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.529 -11.527 -1.055 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -5.157 -12.175 -1.066 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.899 -13.864 -2.182 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.065 -13.182 0.871 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.662 -14.806 1.226 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.272 -15.939 -2.058 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -4.778 -16.352 -0.417 1.00 0.00 H new ATOM 1414 N GLY A 94 -7.693 -11.308 -5.687 1.00 0.00 N ATOM 1415 CA GLY A 94 -8.122 -11.412 -7.111 1.00 0.00 C ATOM 1416 C GLY A 94 -9.040 -10.238 -7.458 1.00 0.00 C ATOM 1417 O GLY A 94 -10.109 -10.415 -8.007 1.00 0.00 O ATOM 0 H GLY A 94 -8.218 -11.887 -5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.250 -11.410 -7.765 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.643 -12.355 -7.276 1.00 0.00 H new ATOM 1421 N ALA A 95 -8.630 -9.038 -7.144 1.00 0.00 N ATOM 1422 CA ALA A 95 -9.480 -7.854 -7.457 1.00 0.00 C ATOM 1423 C ALA A 95 -8.599 -6.720 -7.983 1.00 0.00 C ATOM 1424 O ALA A 95 -8.815 -5.562 -7.685 1.00 0.00 O ATOM 1425 CB ALA A 95 -10.205 -7.394 -6.191 1.00 0.00 C ATOM 0 H ALA A 95 -7.744 -8.827 -6.685 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.215 -8.125 -8.215 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.826 -6.528 -6.422 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.834 -8.202 -5.818 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.473 -7.123 -5.430 1.00 0.00 H new ATOM 1431 N GLY A 96 -7.608 -7.044 -8.765 1.00 0.00 N ATOM 1432 CA GLY A 96 -6.712 -5.986 -9.313 1.00 0.00 C ATOM 1433 C GLY A 96 -6.283 -5.042 -8.188 1.00 0.00 C ATOM 1434 O GLY A 96 -6.040 -3.872 -8.406 1.00 0.00 O ATOM 0 H GLY A 96 -7.379 -7.996 -9.049 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.835 -6.441 -9.774 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -7.228 -5.427 -10.093 1.00 0.00 H new ATOM 1438 N MET A 97 -6.184 -5.541 -6.986 1.00 0.00 N ATOM 1439 CA MET A 97 -5.765 -4.671 -5.851 1.00 0.00 C ATOM 1440 C MET A 97 -4.245 -4.758 -5.684 1.00 0.00 C ATOM 1441 O MET A 97 -3.747 -5.298 -4.717 1.00 0.00 O ATOM 1442 CB MET A 97 -6.451 -5.142 -4.565 1.00 0.00 C ATOM 1443 CG MET A 97 -7.802 -4.437 -4.416 1.00 0.00 C ATOM 1444 SD MET A 97 -7.805 -3.454 -2.895 1.00 0.00 S ATOM 1445 CE MET A 97 -8.774 -2.061 -3.521 1.00 0.00 C ATOM 0 H MET A 97 -6.375 -6.513 -6.741 1.00 0.00 H new ATOM 0 HA MET A 97 -6.052 -3.639 -6.054 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.594 -6.222 -4.592 1.00 0.00 H new ATOM 0 HB3 MET A 97 -5.819 -4.925 -3.704 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.986 -3.795 -5.277 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.607 -5.172 -4.389 1.00 0.00 H new ATOM 0 HE1 MET A 97 -8.125 -1.195 -3.649 1.00 0.00 H new ATOM 0 HE2 MET A 97 -9.217 -2.328 -4.481 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.565 -1.820 -2.811 1.00 0.00 H new ATOM 1455 N VAL A 98 -3.504 -4.234 -6.624 1.00 0.00 N ATOM 1456 CA VAL A 98 -2.018 -4.290 -6.523 1.00 0.00 C ATOM 1457 C VAL A 98 -1.426 -2.931 -6.907 1.00 0.00 C ATOM 1458 O VAL A 98 -1.495 -2.514 -8.047 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.485 -5.364 -7.473 1.00 0.00 C ATOM 1460 CG1 VAL A 98 0.039 -5.434 -7.367 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -2.082 -6.722 -7.096 1.00 0.00 C ATOM 0 H VAL A 98 -3.865 -3.770 -7.457 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.733 -4.533 -5.499 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.767 -5.112 -8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.416 -6.200 -8.045 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.467 -4.468 -7.636 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.322 -5.684 -6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.702 -7.487 -7.773 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.801 -6.971 -6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.168 -6.676 -7.173 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.849 -2.233 -5.965 1.00 0.00 N ATOM 1472 CA GLY A 99 -0.260 -0.903 -6.277 1.00 0.00 C ATOM 1473 C GLY A 99 1.268 -0.986 -6.228 1.00 0.00 C ATOM 1474 O GLY A 99 1.839 -2.053 -6.118 1.00 0.00 O ATOM 0 H GLY A 99 -0.761 -2.529 -4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.584 -0.575 -7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.616 -0.161 -5.562 1.00 0.00 H new ATOM 1478 N LYS A 100 1.936 0.135 -6.312 1.00 0.00 N ATOM 1479 CA LYS A 100 3.428 0.119 -6.274 1.00 0.00 C ATOM 1480 C LYS A 100 3.953 1.500 -5.869 1.00 0.00 C ATOM 1481 O LYS A 100 3.722 2.483 -6.546 1.00 0.00 O ATOM 1482 CB LYS A 100 3.969 -0.236 -7.662 1.00 0.00 C ATOM 1483 CG LYS A 100 3.626 -1.689 -7.997 1.00 0.00 C ATOM 1484 CD LYS A 100 4.603 -2.210 -9.054 1.00 0.00 C ATOM 1485 CE LYS A 100 3.978 -3.395 -9.792 1.00 0.00 C ATOM 1486 NZ LYS A 100 3.537 -2.961 -11.149 1.00 0.00 N ATOM 0 H LYS A 100 1.514 1.059 -6.405 1.00 0.00 H new ATOM 0 HA LYS A 100 3.759 -0.622 -5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.540 0.430 -8.411 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.049 -0.092 -7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.682 -2.304 -7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.603 -1.757 -8.366 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.847 -1.417 -9.760 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.537 -2.515 -8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.701 -4.207 -9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.129 -3.781 -9.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.112 -3.767 -11.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.834 -2.200 -11.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.357 -2.613 -11.686 1.00 0.00 H new ATOM 1500 N ILE A 101 4.671 1.584 -4.780 1.00 0.00 N ATOM 1501 CA ILE A 101 5.221 2.903 -4.352 1.00 0.00 C ATOM 1502 C ILE A 101 6.521 3.161 -5.124 1.00 0.00 C ATOM 1503 O ILE A 101 7.292 2.257 -5.378 1.00 0.00 O ATOM 1504 CB ILE A 101 5.475 2.887 -2.823 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.458 3.807 -2.135 1.00 0.00 C ATOM 1506 CG2 ILE A 101 6.896 3.370 -2.489 1.00 0.00 C ATOM 1507 CD1 ILE A 101 4.892 4.074 -0.688 1.00 0.00 C ATOM 0 H ILE A 101 4.900 0.799 -4.170 1.00 0.00 H new ATOM 0 HA ILE A 101 4.513 3.703 -4.568 1.00 0.00 H new ATOM 0 HB ILE A 101 5.367 1.862 -2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.379 4.748 -2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.470 3.346 -2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.044 3.347 -1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.625 2.716 -2.969 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.029 4.389 -2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.166 4.728 -0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.948 3.131 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.871 4.554 -0.684 1.00 0.00 H new ATOM 1519 N THR A 102 6.773 4.385 -5.492 1.00 0.00 N ATOM 1520 CA THR A 102 8.025 4.691 -6.237 1.00 0.00 C ATOM 1521 C THR A 102 8.857 5.685 -5.427 1.00 0.00 C ATOM 1522 O THR A 102 8.646 6.881 -5.487 1.00 0.00 O ATOM 1523 CB THR A 102 7.679 5.295 -7.598 1.00 0.00 C ATOM 1524 OG1 THR A 102 6.379 4.869 -7.984 1.00 0.00 O ATOM 1525 CG2 THR A 102 8.700 4.829 -8.637 1.00 0.00 C ATOM 0 H THR A 102 6.168 5.186 -5.310 1.00 0.00 H new ATOM 0 HA THR A 102 8.596 3.775 -6.390 1.00 0.00 H new ATOM 0 HB THR A 102 7.701 6.383 -7.532 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.153 5.256 -8.856 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.454 5.259 -9.608 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.697 5.154 -8.339 1.00 0.00 H new ATOM 0 HG23 THR A 102 8.678 3.741 -8.706 1.00 0.00 H new ATOM 1533 N VAL A 103 9.797 5.201 -4.664 1.00 0.00 N ATOM 1534 CA VAL A 103 10.635 6.118 -3.845 1.00 0.00 C ATOM 1535 C VAL A 103 11.976 6.352 -4.544 1.00 0.00 C ATOM 1536 O VAL A 103 12.634 5.426 -4.975 1.00 0.00 O ATOM 1537 CB VAL A 103 10.878 5.495 -2.470 1.00 0.00 C ATOM 1538 CG1 VAL A 103 11.189 6.601 -1.461 1.00 0.00 C ATOM 1539 CG2 VAL A 103 9.624 4.734 -2.024 1.00 0.00 C ATOM 0 H VAL A 103 10.021 4.210 -4.573 1.00 0.00 H new ATOM 0 HA VAL A 103 10.119 7.071 -3.727 1.00 0.00 H new ATOM 0 HB VAL A 103 11.720 4.805 -2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 103 11.363 6.160 -0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 103 12.080 7.143 -1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.346 7.290 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.797 4.290 -1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.781 5.423 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.400 3.947 -2.744 1.00 0.00 H new ATOM 1549 N ALA A 104 12.387 7.587 -4.657 1.00 0.00 N ATOM 1550 CA ALA A 104 13.686 7.886 -5.326 1.00 0.00 C ATOM 1551 C ALA A 104 14.806 7.881 -4.282 1.00 0.00 C ATOM 1552 O ALA A 104 14.590 7.565 -3.129 1.00 0.00 O ATOM 1553 CB ALA A 104 13.613 9.264 -5.987 1.00 0.00 C ATOM 0 H ALA A 104 11.879 8.402 -4.314 1.00 0.00 H new ATOM 0 HA ALA A 104 13.889 7.130 -6.084 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.562 9.484 -6.476 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.813 9.271 -6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.412 10.021 -5.229 1.00 0.00 H new