USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 636 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 Single : A 3 ASN : amide:sc= -1.42 K(o=-1.4,f=-11!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.623 USER MOD Single : A 7 HIS : no HD1:sc= -0.641 X(o=-0.64,f=-0.15) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc=-0.00872 USER MOD Single : A 14 CYS SG : rot 28:sc= -2.57 USER MOD Single : A 15 GLN : amide:sc= -0.24 K(o=-0.24,f=-2.3!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 88:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.0916 X(o=-0.092,f=0) USER MOD Single : A 35 ASN : amide:sc= 0.0164 X(o=0.016,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -2.56 K(o=-2.6,f=-5.1!) USER MOD Single : A 56 THR OG1 : rot 47:sc= 0.066 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc=0.000137 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 48:sc= 0.307! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -2.21! C(o=-2.2!,f=-12!) USER MOD Single : A 80 LYS NZ :NH3+ 149:sc= 0.921 (180deg=0.0513) USER MOD Single : A 82 GLN : amide:sc= -0.0394 X(o=-0.039,f=0) USER MOD Single : A 83 TYR OH : rot -69:sc= 0.591 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -6:sc= -1.73 USER MOD Single : A 88 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 33 N ASN A 3 2.515 -12.650 0.345 1.00 0.00 N ATOM 34 CA ASN A 3 3.513 -11.883 -0.381 1.00 0.00 C ATOM 35 C ASN A 3 4.906 -12.254 0.132 1.00 0.00 C ATOM 36 O ASN A 3 5.325 -11.791 1.192 1.00 0.00 O ATOM 37 CB ASN A 3 3.316 -10.381 -0.168 1.00 0.00 C ATOM 38 CG ASN A 3 2.010 -10.100 0.580 1.00 0.00 C ATOM 39 OD1 ASN A 3 1.993 -9.527 1.657 1.00 0.00 O ATOM 40 ND2 ASN A 3 0.922 -10.536 -0.049 1.00 0.00 N ATOM 0 HA ASN A 3 3.410 -12.113 -1.441 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.157 -9.977 0.396 1.00 0.00 H new ATOM 0 HB3 ASN A 3 3.304 -9.872 -1.132 1.00 0.00 H new ATOM 0 HD21 ASN A 3 0.002 -10.398 0.369 1.00 0.00 H new ATOM 0 HD22 ASN A 3 1.008 -11.008 -0.949 1.00 0.00 H new ATOM 47 N LYS A 4 5.585 -13.088 -0.644 1.00 0.00 N ATOM 48 CA LYS A 4 6.921 -13.526 -0.281 1.00 0.00 C ATOM 49 C LYS A 4 7.929 -12.958 -1.282 1.00 0.00 C ATOM 50 O LYS A 4 7.691 -12.980 -2.487 1.00 0.00 O ATOM 51 CB LYS A 4 6.969 -15.050 -0.157 1.00 0.00 C ATOM 52 CG LYS A 4 8.365 -15.524 0.255 1.00 0.00 C ATOM 53 CD LYS A 4 8.294 -16.453 1.468 1.00 0.00 C ATOM 54 CE LYS A 4 9.060 -17.751 1.210 1.00 0.00 C ATOM 55 NZ LYS A 4 10.487 -17.590 1.563 1.00 0.00 N ATOM 0 H LYS A 4 5.234 -13.471 -1.522 1.00 0.00 H new ATOM 0 HA LYS A 4 7.195 -13.140 0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.237 -15.382 0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.693 -15.505 -1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.837 -16.044 -0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.991 -14.663 0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.709 -15.949 2.341 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.253 -16.680 1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.624 -18.560 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.968 -18.032 0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.992 -18.481 1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.904 -16.832 0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.570 -17.344 2.570 1.00 0.00 H new ATOM 69 N LYS A 5 9.033 -12.462 -0.743 1.00 0.00 N ATOM 70 CA LYS A 5 10.079 -11.888 -1.574 1.00 0.00 C ATOM 71 C LYS A 5 9.485 -10.768 -2.431 1.00 0.00 C ATOM 72 O LYS A 5 8.266 -10.625 -2.517 1.00 0.00 O ATOM 73 CB LYS A 5 10.776 -12.979 -2.388 1.00 0.00 C ATOM 74 CG LYS A 5 10.393 -12.892 -3.867 1.00 0.00 C ATOM 75 CD LYS A 5 11.026 -14.031 -4.666 1.00 0.00 C ATOM 76 CE LYS A 5 12.554 -13.933 -4.643 1.00 0.00 C ATOM 77 NZ LYS A 5 13.113 -14.259 -5.975 1.00 0.00 N ATOM 0 H LYS A 5 9.226 -12.445 0.258 1.00 0.00 H new ATOM 0 HA LYS A 5 10.855 -11.440 -0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.856 -12.882 -2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.505 -13.959 -1.996 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.308 -12.931 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.717 -11.934 -4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.713 -14.989 -4.251 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.671 -13.999 -5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.856 -12.927 -4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.957 -14.616 -3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.150 -14.188 -5.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.840 -15.227 -6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.742 -13.591 -6.680 1.00 0.00 H new ATOM 91 N SER A 6 10.375 -9.999 -3.043 1.00 0.00 N ATOM 92 CA SER A 6 9.955 -8.896 -3.890 1.00 0.00 C ATOM 93 C SER A 6 9.589 -7.685 -3.028 1.00 0.00 C ATOM 94 O SER A 6 10.135 -7.506 -1.941 1.00 0.00 O ATOM 95 CB SER A 6 8.769 -9.297 -4.770 1.00 0.00 C ATOM 96 OG SER A 6 8.860 -10.652 -5.201 1.00 0.00 O ATOM 0 H SER A 6 11.385 -10.119 -2.969 1.00 0.00 H new ATOM 0 HA SER A 6 10.786 -8.632 -4.544 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.841 -9.154 -4.216 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.725 -8.642 -5.640 1.00 0.00 H new ATOM 0 HG SER A 6 8.084 -10.871 -5.759 1.00 0.00 H new ATOM 102 N HIS A 7 8.669 -6.885 -3.547 1.00 0.00 N ATOM 103 CA HIS A 7 8.226 -5.696 -2.839 1.00 0.00 C ATOM 104 C HIS A 7 6.716 -5.524 -3.023 1.00 0.00 C ATOM 105 O HIS A 7 6.233 -5.399 -4.147 1.00 0.00 O ATOM 106 CB HIS A 7 9.020 -4.469 -3.287 1.00 0.00 C ATOM 107 CG HIS A 7 10.258 -4.206 -2.463 1.00 0.00 C ATOM 108 ND1 HIS A 7 11.290 -3.392 -2.896 1.00 0.00 N ATOM 109 CD2 HIS A 7 10.619 -4.655 -1.225 1.00 0.00 C ATOM 110 CE1 HIS A 7 12.223 -3.360 -1.957 1.00 0.00 C ATOM 111 NE2 HIS A 7 11.806 -4.145 -0.922 1.00 0.00 N ATOM 0 H HIS A 7 8.218 -7.037 -4.449 1.00 0.00 H new ATOM 0 HA HIS A 7 8.418 -5.811 -1.772 1.00 0.00 H new ATOM 0 HB2 HIS A 7 9.310 -4.597 -4.330 1.00 0.00 H new ATOM 0 HB3 HIS A 7 8.373 -3.593 -3.242 1.00 0.00 H new ATOM 0 HD2 HIS A 7 10.037 -5.314 -0.598 1.00 0.00 H new ATOM 0 HE1 HIS A 7 13.151 -2.809 -2.002 1.00 0.00 H new ATOM 0 HE2 HIS A 7 12.322 -4.312 -0.058 1.00 0.00 H new ATOM 119 N TYR A 8 6.014 -5.523 -1.900 1.00 0.00 N ATOM 120 CA TYR A 8 4.568 -5.368 -1.922 1.00 0.00 C ATOM 121 C TYR A 8 4.139 -4.124 -1.143 1.00 0.00 C ATOM 122 O TYR A 8 4.513 -3.953 0.016 1.00 0.00 O ATOM 123 CB TYR A 8 4.000 -6.609 -1.232 1.00 0.00 C ATOM 124 CG TYR A 8 3.285 -7.575 -2.177 1.00 0.00 C ATOM 125 CD1 TYR A 8 4.006 -8.275 -3.123 1.00 0.00 C ATOM 126 CD2 TYR A 8 1.920 -7.748 -2.085 1.00 0.00 C ATOM 127 CE1 TYR A 8 3.333 -9.185 -4.014 1.00 0.00 C ATOM 128 CE2 TYR A 8 1.246 -8.658 -2.977 1.00 0.00 C ATOM 129 CZ TYR A 8 1.987 -9.332 -3.897 1.00 0.00 C ATOM 130 OH TYR A 8 1.351 -10.191 -4.738 1.00 0.00 O ATOM 0 H TYR A 8 6.418 -5.627 -0.969 1.00 0.00 H new ATOM 0 HA TYR A 8 4.209 -5.258 -2.945 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.812 -7.139 -0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.303 -6.293 -0.456 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.075 -8.140 -3.195 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.356 -7.201 -1.344 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.886 -9.738 -4.759 1.00 0.00 H new ATOM 0 HE2 TYR A 8 0.177 -8.801 -2.916 1.00 0.00 H new ATOM 0 HH TYR A 8 0.392 -10.194 -4.538 1.00 0.00 H new ATOM 140 N PHE A 9 3.357 -3.287 -1.810 1.00 0.00 N ATOM 141 CA PHE A 9 2.872 -2.063 -1.194 1.00 0.00 C ATOM 142 C PHE A 9 1.613 -2.328 -0.365 1.00 0.00 C ATOM 143 O PHE A 9 0.578 -2.711 -0.909 1.00 0.00 O ATOM 144 CB PHE A 9 2.527 -1.098 -2.330 1.00 0.00 C ATOM 145 CG PHE A 9 2.594 0.378 -1.933 1.00 0.00 C ATOM 146 CD1 PHE A 9 3.778 1.046 -1.995 1.00 0.00 C ATOM 147 CD2 PHE A 9 1.471 1.022 -1.518 1.00 0.00 C ATOM 148 CE1 PHE A 9 3.839 2.416 -1.625 1.00 0.00 C ATOM 149 CE2 PHE A 9 1.532 2.393 -1.150 1.00 0.00 C ATOM 150 CZ PHE A 9 2.716 3.060 -1.213 1.00 0.00 C ATOM 0 H PHE A 9 3.047 -3.432 -2.771 1.00 0.00 H new ATOM 0 HA PHE A 9 3.633 -1.654 -0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 9 3.211 -1.272 -3.161 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.523 -1.322 -2.691 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.670 0.535 -2.325 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.532 0.491 -1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.779 2.946 -1.671 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.640 2.905 -0.821 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.763 4.103 -0.935 1.00 0.00 H new ATOM 160 N TYR A 10 1.745 -2.114 0.935 1.00 0.00 N ATOM 161 CA TYR A 10 0.630 -2.325 1.844 1.00 0.00 C ATOM 162 C TYR A 10 0.281 -1.036 2.592 1.00 0.00 C ATOM 163 O TYR A 10 1.087 -0.527 3.368 1.00 0.00 O ATOM 164 CB TYR A 10 1.102 -3.374 2.853 1.00 0.00 C ATOM 165 CG TYR A 10 2.185 -2.873 3.812 1.00 0.00 C ATOM 166 CD1 TYR A 10 3.509 -2.887 3.423 1.00 0.00 C ATOM 167 CD2 TYR A 10 1.837 -2.406 5.062 1.00 0.00 C ATOM 168 CE1 TYR A 10 4.528 -2.416 4.324 1.00 0.00 C ATOM 169 CE2 TYR A 10 2.857 -1.936 5.963 1.00 0.00 C ATOM 170 CZ TYR A 10 4.152 -1.964 5.550 1.00 0.00 C ATOM 171 OH TYR A 10 5.114 -1.519 6.402 1.00 0.00 O ATOM 0 H TYR A 10 2.606 -1.797 1.381 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.258 -2.641 1.296 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.246 -3.715 3.435 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.483 -4.239 2.311 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.780 -3.251 2.443 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.800 -2.393 5.365 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.568 -2.422 4.033 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.599 -1.569 6.945 1.00 0.00 H new ATOM 0 HH TYR A 10 4.699 -1.226 7.240 1.00 0.00 H new ATOM 181 N VAL A 11 -0.921 -0.546 2.330 1.00 0.00 N ATOM 182 CA VAL A 11 -1.387 0.674 2.968 1.00 0.00 C ATOM 183 C VAL A 11 -2.171 0.315 4.232 1.00 0.00 C ATOM 184 O VAL A 11 -2.709 -0.785 4.342 1.00 0.00 O ATOM 185 CB VAL A 11 -2.201 1.506 1.975 1.00 0.00 C ATOM 186 CG1 VAL A 11 -3.201 2.407 2.705 1.00 0.00 C ATOM 187 CG2 VAL A 11 -1.284 2.328 1.067 1.00 0.00 C ATOM 0 H VAL A 11 -1.587 -0.971 1.685 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.543 1.292 3.273 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.766 0.818 1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.767 2.988 1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.886 1.792 3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.664 3.083 3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.888 2.910 0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.680 3.002 1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.630 1.658 0.508 1.00 0.00 H new ATOM 197 N LEU A 12 -2.213 1.266 5.154 1.00 0.00 N ATOM 198 CA LEU A 12 -2.923 1.064 6.405 1.00 0.00 C ATOM 199 C LEU A 12 -3.456 2.408 6.907 1.00 0.00 C ATOM 200 O LEU A 12 -2.688 3.342 7.128 1.00 0.00 O ATOM 201 CB LEU A 12 -2.031 0.342 7.417 1.00 0.00 C ATOM 202 CG LEU A 12 -0.546 0.711 7.386 1.00 0.00 C ATOM 203 CD1 LEU A 12 0.030 0.785 8.801 1.00 0.00 C ATOM 204 CD2 LEU A 12 0.240 -0.255 6.498 1.00 0.00 C ATOM 0 H LEU A 12 -1.767 2.178 5.059 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.785 0.414 6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.414 0.543 8.417 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.122 -0.731 7.251 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.450 1.704 6.947 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.086 1.049 8.750 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.506 1.542 9.373 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.079 -0.183 9.289 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.292 0.029 6.493 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.140 -1.269 6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.151 -0.215 5.481 1.00 0.00 H new ATOM 216 N LEU A 13 -4.771 2.464 7.070 1.00 0.00 N ATOM 217 CA LEU A 13 -5.417 3.677 7.540 1.00 0.00 C ATOM 218 C LEU A 13 -5.575 3.609 9.060 1.00 0.00 C ATOM 219 O LEU A 13 -5.820 2.538 9.614 1.00 0.00 O ATOM 220 CB LEU A 13 -6.731 3.907 6.794 1.00 0.00 C ATOM 221 CG LEU A 13 -7.727 4.854 7.468 1.00 0.00 C ATOM 222 CD1 LEU A 13 -8.668 5.484 6.437 1.00 0.00 C ATOM 223 CD2 LEU A 13 -8.494 4.140 8.582 1.00 0.00 C ATOM 0 H LEU A 13 -5.406 1.688 6.884 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.798 4.548 7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.500 4.299 5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.218 2.942 6.649 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.167 5.666 7.932 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.366 6.152 6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.085 6.050 5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.224 4.699 5.924 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.195 4.835 9.044 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.043 3.296 8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.792 3.779 9.334 1.00 0.00 H new ATOM 235 N CYS A 14 -5.428 4.764 9.691 1.00 0.00 N ATOM 236 CA CYS A 14 -5.553 4.849 11.136 1.00 0.00 C ATOM 237 C CYS A 14 -6.890 5.518 11.465 1.00 0.00 C ATOM 238 O CYS A 14 -7.567 6.031 10.576 1.00 0.00 O ATOM 239 CB CYS A 14 -4.373 5.596 11.762 1.00 0.00 C ATOM 240 SG CYS A 14 -3.925 4.826 13.362 1.00 0.00 S ATOM 0 H CYS A 14 -5.223 5.649 9.228 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.534 3.847 11.565 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.518 5.574 11.086 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.634 6.644 11.913 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.249 3.567 13.343 1.00 0.00 H new ATOM 246 N GLN A 15 -7.230 5.489 12.746 1.00 0.00 N ATOM 247 CA GLN A 15 -8.474 6.085 13.202 1.00 0.00 C ATOM 248 C GLN A 15 -8.580 7.531 12.713 1.00 0.00 C ATOM 249 O GLN A 15 -9.599 7.926 12.149 1.00 0.00 O ATOM 250 CB GLN A 15 -8.589 6.012 14.727 1.00 0.00 C ATOM 251 CG GLN A 15 -9.255 4.705 15.164 1.00 0.00 C ATOM 252 CD GLN A 15 -10.763 4.890 15.338 1.00 0.00 C ATOM 253 OE1 GLN A 15 -11.267 5.990 15.495 1.00 0.00 O ATOM 254 NE2 GLN A 15 -11.455 3.754 15.300 1.00 0.00 N ATOM 0 H GLN A 15 -6.666 5.063 13.481 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.303 5.518 12.780 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.598 6.087 15.174 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.168 6.860 15.093 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.063 3.929 14.423 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.816 4.365 16.102 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.971 2.866 15.165 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.469 3.771 15.405 1.00 0.00 H new ATOM 263 N ASP A 16 -7.514 8.282 12.948 1.00 0.00 N ATOM 264 CA ASP A 16 -7.474 9.675 12.539 1.00 0.00 C ATOM 265 C ASP A 16 -7.826 9.776 11.053 1.00 0.00 C ATOM 266 O ASP A 16 -8.313 10.808 10.595 1.00 0.00 O ATOM 267 CB ASP A 16 -6.077 10.268 12.735 1.00 0.00 C ATOM 268 CG ASP A 16 -5.922 11.721 12.282 1.00 0.00 C ATOM 269 OD1 ASP A 16 -5.797 11.921 11.055 1.00 0.00 O ATOM 270 OD2 ASP A 16 -5.930 12.598 13.173 1.00 0.00 O ATOM 0 H ASP A 16 -6.671 7.951 13.417 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.188 10.226 13.151 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.816 10.203 13.791 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.359 9.655 12.191 1.00 0.00 H new ATOM 275 N GLY A 17 -7.565 8.690 10.342 1.00 0.00 N ATOM 276 CA GLY A 17 -7.848 8.643 8.916 1.00 0.00 C ATOM 277 C GLY A 17 -6.586 8.921 8.098 1.00 0.00 C ATOM 278 O GLY A 17 -6.656 9.516 7.025 1.00 0.00 O ATOM 0 H GLY A 17 -7.161 7.836 10.725 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.248 7.664 8.653 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.615 9.377 8.669 1.00 0.00 H new ATOM 282 N SER A 18 -5.460 8.474 8.636 1.00 0.00 N ATOM 283 CA SER A 18 -4.184 8.666 7.969 1.00 0.00 C ATOM 284 C SER A 18 -3.987 7.593 6.897 1.00 0.00 C ATOM 285 O SER A 18 -4.815 6.695 6.753 1.00 0.00 O ATOM 286 CB SER A 18 -3.028 8.636 8.970 1.00 0.00 C ATOM 287 OG SER A 18 -2.807 9.909 9.571 1.00 0.00 O ATOM 0 H SER A 18 -5.406 7.979 9.526 1.00 0.00 H new ATOM 0 HA SER A 18 -4.191 9.647 7.494 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.240 7.901 9.746 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.119 8.312 8.464 1.00 0.00 H new ATOM 0 HG SER A 18 -2.062 9.847 10.205 1.00 0.00 H new ATOM 293 N PHE A 19 -2.885 7.720 6.172 1.00 0.00 N ATOM 294 CA PHE A 19 -2.569 6.772 5.118 1.00 0.00 C ATOM 295 C PHE A 19 -1.063 6.503 5.056 1.00 0.00 C ATOM 296 O PHE A 19 -0.295 7.353 4.606 1.00 0.00 O ATOM 297 CB PHE A 19 -3.017 7.403 3.799 1.00 0.00 C ATOM 298 CG PHE A 19 -4.526 7.338 3.558 1.00 0.00 C ATOM 299 CD1 PHE A 19 -5.364 8.138 4.272 1.00 0.00 C ATOM 300 CD2 PHE A 19 -5.030 6.478 2.634 1.00 0.00 C ATOM 301 CE1 PHE A 19 -6.765 8.076 4.048 1.00 0.00 C ATOM 302 CE2 PHE A 19 -6.432 6.417 2.411 1.00 0.00 C ATOM 303 CZ PHE A 19 -7.269 7.217 3.123 1.00 0.00 C ATOM 0 H PHE A 19 -2.200 8.466 6.294 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.073 5.824 5.307 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.701 8.446 3.782 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.506 6.902 2.977 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.964 8.819 5.008 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.365 5.841 2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.430 8.712 4.613 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.833 5.735 1.676 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.335 7.170 2.954 1.00 0.00 H new ATOM 313 N TYR A 20 -0.686 5.318 5.514 1.00 0.00 N ATOM 314 CA TYR A 20 0.714 4.928 5.516 1.00 0.00 C ATOM 315 C TYR A 20 0.936 3.685 4.654 1.00 0.00 C ATOM 316 O TYR A 20 0.235 2.686 4.804 1.00 0.00 O ATOM 317 CB TYR A 20 1.055 4.594 6.970 1.00 0.00 C ATOM 318 CG TYR A 20 2.467 5.008 7.387 1.00 0.00 C ATOM 319 CD1 TYR A 20 3.563 4.504 6.717 1.00 0.00 C ATOM 320 CD2 TYR A 20 2.645 5.887 8.436 1.00 0.00 C ATOM 321 CE1 TYR A 20 4.892 4.894 7.111 1.00 0.00 C ATOM 322 CE2 TYR A 20 3.974 6.279 8.830 1.00 0.00 C ATOM 323 CZ TYR A 20 5.032 5.762 8.147 1.00 0.00 C ATOM 324 OH TYR A 20 6.287 6.132 8.519 1.00 0.00 O ATOM 0 H TYR A 20 -1.325 4.616 5.886 1.00 0.00 H new ATOM 0 HA TYR A 20 1.337 5.727 5.113 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.335 5.086 7.624 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.942 3.521 7.122 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.424 3.816 5.896 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.788 6.281 8.962 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.758 4.506 6.595 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.127 6.967 9.648 1.00 0.00 H new ATOM 0 HH TYR A 20 6.234 6.757 9.272 1.00 0.00 H new ATOM 334 N GLY A 21 1.917 3.785 3.768 1.00 0.00 N ATOM 335 CA GLY A 21 2.241 2.682 2.881 1.00 0.00 C ATOM 336 C GLY A 21 3.699 2.250 3.054 1.00 0.00 C ATOM 337 O GLY A 21 4.603 3.085 3.041 1.00 0.00 O ATOM 0 H GLY A 21 2.498 4.614 3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.581 1.839 3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.066 2.979 1.847 1.00 0.00 H new ATOM 341 N GLY A 22 3.882 0.948 3.212 1.00 0.00 N ATOM 342 CA GLY A 22 5.215 0.394 3.386 1.00 0.00 C ATOM 343 C GLY A 22 5.597 -0.500 2.205 1.00 0.00 C ATOM 344 O GLY A 22 4.730 -0.961 1.464 1.00 0.00 O ATOM 0 H GLY A 22 3.129 0.260 3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.939 1.203 3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.255 -0.182 4.310 1.00 0.00 H new ATOM 348 N TYR A 23 6.896 -0.717 2.065 1.00 0.00 N ATOM 349 CA TYR A 23 7.404 -1.547 0.986 1.00 0.00 C ATOM 350 C TYR A 23 7.968 -2.864 1.526 1.00 0.00 C ATOM 351 O TYR A 23 9.122 -2.921 1.951 1.00 0.00 O ATOM 352 CB TYR A 23 8.536 -0.748 0.337 1.00 0.00 C ATOM 353 CG TYR A 23 9.539 -0.165 1.334 1.00 0.00 C ATOM 354 CD1 TYR A 23 9.281 1.046 1.944 1.00 0.00 C ATOM 355 CD2 TYR A 23 10.700 -0.851 1.627 1.00 0.00 C ATOM 356 CE1 TYR A 23 10.224 1.595 2.882 1.00 0.00 C ATOM 357 CE2 TYR A 23 11.643 -0.302 2.568 1.00 0.00 C ATOM 358 CZ TYR A 23 11.359 0.894 3.148 1.00 0.00 C ATOM 359 OH TYR A 23 12.249 1.413 4.035 1.00 0.00 O ATOM 0 H TYR A 23 7.612 -0.332 2.681 1.00 0.00 H new ATOM 0 HA TYR A 23 6.608 -1.792 0.282 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.068 -1.394 -0.362 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.104 0.066 -0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.371 1.582 1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.902 -1.799 1.151 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.035 2.543 3.364 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.555 -0.829 2.807 1.00 0.00 H new ATOM 0 HH TYR A 23 13.011 0.804 4.128 1.00 0.00 H new ATOM 369 N THR A 24 7.129 -3.888 1.491 1.00 0.00 N ATOM 370 CA THR A 24 7.530 -5.199 1.971 1.00 0.00 C ATOM 371 C THR A 24 6.520 -6.260 1.531 1.00 0.00 C ATOM 372 O THR A 24 5.460 -5.931 1.001 1.00 0.00 O ATOM 373 CB THR A 24 7.698 -5.115 3.491 1.00 0.00 C ATOM 374 OG1 THR A 24 8.955 -5.741 3.735 1.00 0.00 O ATOM 375 CG2 THR A 24 6.694 -5.991 4.241 1.00 0.00 C ATOM 0 H THR A 24 6.173 -3.837 1.138 1.00 0.00 H new ATOM 0 HA THR A 24 8.484 -5.503 1.539 1.00 0.00 H new ATOM 0 HB THR A 24 7.586 -4.079 3.812 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.145 -5.729 4.696 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.857 -5.894 5.314 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.680 -5.672 3.998 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.828 -7.032 3.946 1.00 0.00 H new ATOM 383 N THR A 25 6.884 -7.512 1.766 1.00 0.00 N ATOM 384 CA THR A 25 6.022 -8.623 1.400 1.00 0.00 C ATOM 385 C THR A 25 5.701 -9.476 2.630 1.00 0.00 C ATOM 386 O THR A 25 6.599 -9.859 3.376 1.00 0.00 O ATOM 387 CB THR A 25 6.712 -9.407 0.281 1.00 0.00 C ATOM 388 OG1 THR A 25 7.900 -9.908 0.889 1.00 0.00 O ATOM 389 CG2 THR A 25 7.222 -8.500 -0.841 1.00 0.00 C ATOM 0 H THR A 25 7.764 -7.782 2.205 1.00 0.00 H new ATOM 0 HA THR A 25 5.060 -8.272 1.026 1.00 0.00 H new ATOM 0 HB THR A 25 6.017 -10.139 -0.131 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.712 -10.773 1.310 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.703 -9.106 -1.609 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.384 -7.957 -1.279 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.943 -7.790 -0.436 1.00 0.00 H new ATOM 397 N GLU A 26 4.415 -9.748 2.800 1.00 0.00 N ATOM 398 CA GLU A 26 3.963 -10.548 3.926 1.00 0.00 C ATOM 399 C GLU A 26 4.030 -9.732 5.218 1.00 0.00 C ATOM 400 O GLU A 26 4.841 -10.021 6.097 1.00 0.00 O ATOM 401 CB GLU A 26 4.780 -11.835 4.047 1.00 0.00 C ATOM 402 CG GLU A 26 3.914 -13.063 3.755 1.00 0.00 C ATOM 403 CD GLU A 26 4.130 -14.149 4.813 1.00 0.00 C ATOM 404 OE1 GLU A 26 5.277 -14.636 4.899 1.00 0.00 O ATOM 405 OE2 GLU A 26 3.142 -14.467 5.508 1.00 0.00 O ATOM 0 H GLU A 26 3.673 -9.429 2.178 1.00 0.00 H new ATOM 0 HA GLU A 26 2.925 -10.831 3.752 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.619 -11.804 3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.199 -11.911 5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.863 -12.775 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.157 -13.458 2.768 1.00 0.00 H new ATOM 412 N PRO A 27 3.145 -8.702 5.295 1.00 0.00 N ATOM 413 CA PRO A 27 3.098 -7.842 6.466 1.00 0.00 C ATOM 414 C PRO A 27 2.424 -8.553 7.642 1.00 0.00 C ATOM 415 O PRO A 27 2.493 -8.085 8.776 1.00 0.00 O ATOM 416 CB PRO A 27 2.345 -6.602 6.012 1.00 0.00 C ATOM 417 CG PRO A 27 1.598 -7.005 4.751 1.00 0.00 C ATOM 418 CD PRO A 27 2.171 -8.329 4.274 1.00 0.00 C ATOM 0 HA PRO A 27 4.089 -7.578 6.835 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.654 -6.261 6.783 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.032 -5.779 5.813 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.531 -7.101 4.953 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.709 -6.241 3.981 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.392 -9.085 4.175 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.642 -8.227 3.296 1.00 0.00 H new ATOM 426 N GLU A 28 1.790 -9.675 7.329 1.00 0.00 N ATOM 427 CA GLU A 28 1.106 -10.455 8.345 1.00 0.00 C ATOM 428 C GLU A 28 2.070 -10.814 9.478 1.00 0.00 C ATOM 429 O GLU A 28 1.835 -10.465 10.633 1.00 0.00 O ATOM 430 CB GLU A 28 0.478 -11.712 7.741 1.00 0.00 C ATOM 431 CG GLU A 28 -1.037 -11.551 7.594 1.00 0.00 C ATOM 432 CD GLU A 28 -1.749 -12.895 7.765 1.00 0.00 C ATOM 433 OE1 GLU A 28 -1.564 -13.501 8.842 1.00 0.00 O ATOM 434 OE2 GLU A 28 -2.463 -13.284 6.815 1.00 0.00 O ATOM 0 H GLU A 28 1.736 -10.061 6.386 1.00 0.00 H new ATOM 0 HA GLU A 28 0.300 -9.849 8.759 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.922 -11.913 6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.696 -12.572 8.374 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.405 -10.843 8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.269 -11.134 6.614 1.00 0.00 H new ATOM 441 N ARG A 29 3.137 -11.507 9.106 1.00 0.00 N ATOM 442 CA ARG A 29 4.138 -11.918 10.076 1.00 0.00 C ATOM 443 C ARG A 29 4.862 -10.694 10.643 1.00 0.00 C ATOM 444 O ARG A 29 5.241 -10.680 11.812 1.00 0.00 O ATOM 445 CB ARG A 29 5.163 -12.862 9.444 1.00 0.00 C ATOM 446 CG ARG A 29 6.091 -12.104 8.491 1.00 0.00 C ATOM 447 CD ARG A 29 7.194 -13.019 7.957 1.00 0.00 C ATOM 448 NE ARG A 29 8.482 -12.694 8.611 1.00 0.00 N ATOM 449 CZ ARG A 29 9.603 -13.412 8.461 1.00 0.00 C ATOM 450 NH1 ARG A 29 9.602 -14.500 7.679 1.00 0.00 N ATOM 451 NH2 ARG A 29 10.725 -13.042 9.094 1.00 0.00 N ATOM 0 H ARG A 29 3.330 -11.794 8.146 1.00 0.00 H new ATOM 0 HA ARG A 29 3.624 -12.445 10.880 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.752 -13.342 10.226 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.647 -13.654 8.902 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.513 -11.701 7.659 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.537 -11.256 9.010 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.935 -14.061 8.143 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.285 -12.901 6.877 1.00 0.00 H new ATOM 0 HE ARG A 29 8.518 -11.872 9.214 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.748 -14.782 7.198 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.455 -15.047 7.565 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.725 -12.214 9.690 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.579 -13.588 8.980 1.00 0.00 H new ATOM 465 N ARG A 30 5.032 -9.698 9.786 1.00 0.00 N ATOM 466 CA ARG A 30 5.702 -8.474 10.185 1.00 0.00 C ATOM 467 C ARG A 30 4.877 -7.737 11.242 1.00 0.00 C ATOM 468 O ARG A 30 5.418 -7.279 12.248 1.00 0.00 O ATOM 469 CB ARG A 30 5.924 -7.550 8.985 1.00 0.00 C ATOM 470 CG ARG A 30 6.944 -6.457 9.316 1.00 0.00 C ATOM 471 CD ARG A 30 7.083 -5.469 8.156 1.00 0.00 C ATOM 472 NE ARG A 30 7.753 -4.233 8.620 1.00 0.00 N ATOM 473 CZ ARG A 30 8.222 -3.281 7.803 1.00 0.00 C ATOM 474 NH1 ARG A 30 8.099 -3.416 6.476 1.00 0.00 N ATOM 475 NH2 ARG A 30 8.816 -2.194 8.314 1.00 0.00 N ATOM 0 H ARG A 30 4.717 -9.715 8.816 1.00 0.00 H new ATOM 0 HA ARG A 30 6.671 -8.748 10.602 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.273 -8.133 8.133 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.978 -7.094 8.693 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.634 -5.926 10.216 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.912 -6.910 9.531 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.658 -5.922 7.348 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.099 -5.229 7.752 1.00 0.00 H new ATOM 0 HE ARG A 30 7.864 -4.098 9.625 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.648 -4.244 6.087 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.456 -2.691 5.854 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.911 -2.092 9.324 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.173 -1.469 7.693 1.00 0.00 H new ATOM 489 N LEU A 31 3.583 -7.645 10.977 1.00 0.00 N ATOM 490 CA LEU A 31 2.678 -6.971 11.894 1.00 0.00 C ATOM 491 C LEU A 31 2.839 -7.566 13.293 1.00 0.00 C ATOM 492 O LEU A 31 3.262 -6.877 14.220 1.00 0.00 O ATOM 493 CB LEU A 31 1.244 -7.023 11.365 1.00 0.00 C ATOM 494 CG LEU A 31 0.324 -5.882 11.804 1.00 0.00 C ATOM 495 CD1 LEU A 31 0.641 -4.596 11.038 1.00 0.00 C ATOM 496 CD2 LEU A 31 -1.147 -6.280 11.671 1.00 0.00 C ATOM 0 H LEU A 31 3.139 -8.025 10.141 1.00 0.00 H new ATOM 0 HA LEU A 31 2.929 -5.913 11.967 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.280 -7.035 10.276 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.796 -7.966 11.680 1.00 0.00 H new ATOM 0 HG LEU A 31 0.509 -5.682 12.859 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.027 -3.801 11.369 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.674 -4.304 11.228 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.502 -4.765 9.970 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.779 -5.451 11.990 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.365 -6.524 10.631 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.347 -7.150 12.297 1.00 0.00 H new ATOM 508 N THR A 32 2.494 -8.841 13.403 1.00 0.00 N ATOM 509 CA THR A 32 2.596 -9.537 14.675 1.00 0.00 C ATOM 510 C THR A 32 3.992 -9.356 15.271 1.00 0.00 C ATOM 511 O THR A 32 4.140 -9.229 16.486 1.00 0.00 O ATOM 512 CB THR A 32 2.220 -11.003 14.442 1.00 0.00 C ATOM 513 OG1 THR A 32 2.506 -11.635 15.687 1.00 0.00 O ATOM 514 CG2 THR A 32 3.153 -11.696 13.448 1.00 0.00 C ATOM 0 H THR A 32 2.144 -9.410 12.632 1.00 0.00 H new ATOM 0 HA THR A 32 1.907 -9.122 15.410 1.00 0.00 H new ATOM 0 HB THR A 32 1.195 -11.062 14.077 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.290 -12.589 15.627 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.842 -12.733 13.319 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.109 -11.182 12.488 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.174 -11.668 13.828 1.00 0.00 H new ATOM 522 N GLU A 33 4.982 -9.349 14.390 1.00 0.00 N ATOM 523 CA GLU A 33 6.362 -9.185 14.815 1.00 0.00 C ATOM 524 C GLU A 33 6.498 -7.951 15.709 1.00 0.00 C ATOM 525 O GLU A 33 6.674 -8.073 16.921 1.00 0.00 O ATOM 526 CB GLU A 33 7.300 -9.095 13.610 1.00 0.00 C ATOM 527 CG GLU A 33 8.222 -10.315 13.541 1.00 0.00 C ATOM 528 CD GLU A 33 8.522 -10.693 12.089 1.00 0.00 C ATOM 529 OE1 GLU A 33 8.876 -9.771 11.324 1.00 0.00 O ATOM 530 OE2 GLU A 33 8.392 -11.898 11.779 1.00 0.00 O ATOM 0 H GLU A 33 4.856 -9.454 13.383 1.00 0.00 H new ATOM 0 HA GLU A 33 6.651 -10.063 15.393 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.715 -9.025 12.693 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.898 -8.186 13.677 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.154 -10.102 14.065 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.755 -11.158 14.051 1.00 0.00 H new ATOM 537 N HIS A 34 6.412 -6.789 15.078 1.00 0.00 N ATOM 538 CA HIS A 34 6.523 -5.534 15.802 1.00 0.00 C ATOM 539 C HIS A 34 5.689 -5.603 17.081 1.00 0.00 C ATOM 540 O HIS A 34 6.153 -5.210 18.151 1.00 0.00 O ATOM 541 CB HIS A 34 6.139 -4.355 14.905 1.00 0.00 C ATOM 542 CG HIS A 34 5.532 -3.190 15.651 1.00 0.00 C ATOM 543 ND1 HIS A 34 4.268 -2.699 15.371 1.00 0.00 N ATOM 544 CD2 HIS A 34 6.026 -2.427 16.667 1.00 0.00 C ATOM 545 CE1 HIS A 34 4.024 -1.684 16.188 1.00 0.00 C ATOM 546 NE2 HIS A 34 5.115 -1.517 16.991 1.00 0.00 N ATOM 0 H HIS A 34 6.267 -6.690 14.073 1.00 0.00 H new ATOM 0 HA HIS A 34 7.560 -5.370 16.096 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.027 -4.011 14.374 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.431 -4.700 14.152 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.995 -2.543 17.130 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.120 -1.093 16.214 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.214 -0.810 17.720 1.00 0.00 H new ATOM 554 N ASN A 35 4.472 -6.105 16.930 1.00 0.00 N ATOM 555 CA ASN A 35 3.569 -6.231 18.062 1.00 0.00 C ATOM 556 C ASN A 35 4.311 -6.881 19.231 1.00 0.00 C ATOM 557 O ASN A 35 4.479 -6.266 20.282 1.00 0.00 O ATOM 558 CB ASN A 35 2.370 -7.115 17.712 1.00 0.00 C ATOM 559 CG ASN A 35 1.112 -6.272 17.494 1.00 0.00 C ATOM 560 OD1 ASN A 35 0.493 -5.781 18.425 1.00 0.00 O ATOM 561 ND2 ASN A 35 0.769 -6.132 16.217 1.00 0.00 N ATOM 0 H ASN A 35 4.090 -6.429 16.041 1.00 0.00 H new ATOM 0 HA ASN A 35 3.218 -5.234 18.327 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.588 -7.689 16.812 1.00 0.00 H new ATOM 0 HB3 ASN A 35 2.197 -7.833 18.514 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.056 -5.587 15.967 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.331 -6.569 15.487 1.00 0.00 H new ATOM 568 N SER A 36 4.735 -8.116 19.009 1.00 0.00 N ATOM 569 CA SER A 36 5.454 -8.856 20.033 1.00 0.00 C ATOM 570 C SER A 36 6.568 -7.987 20.621 1.00 0.00 C ATOM 571 O SER A 36 6.612 -7.763 21.829 1.00 0.00 O ATOM 572 CB SER A 36 6.035 -10.154 19.467 1.00 0.00 C ATOM 573 OG SER A 36 5.749 -11.274 20.300 1.00 0.00 O ATOM 0 H SER A 36 4.595 -8.623 18.135 1.00 0.00 H new ATOM 0 HA SER A 36 4.751 -9.118 20.824 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.628 -10.329 18.471 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.114 -10.050 19.357 1.00 0.00 H new ATOM 0 HG SER A 36 6.135 -12.083 19.904 1.00 0.00 H new ATOM 579 N GLY A 37 7.440 -7.522 19.738 1.00 0.00 N ATOM 580 CA GLY A 37 8.551 -6.683 20.154 1.00 0.00 C ATOM 581 C GLY A 37 9.847 -7.102 19.457 1.00 0.00 C ATOM 582 O GLY A 37 9.970 -8.236 18.998 1.00 0.00 O ATOM 0 H GLY A 37 7.399 -7.710 18.736 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.330 -5.641 19.923 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.677 -6.750 21.235 1.00 0.00 H new ATOM 773 N ARG A 49 -4.934 2.383 18.042 1.00 0.00 N ATOM 774 CA ARG A 49 -4.695 2.791 16.669 1.00 0.00 C ATOM 775 C ARG A 49 -4.768 1.581 15.735 1.00 0.00 C ATOM 776 O ARG A 49 -3.785 0.861 15.570 1.00 0.00 O ATOM 777 CB ARG A 49 -3.326 3.459 16.524 1.00 0.00 C ATOM 778 CG ARG A 49 -3.466 4.978 16.412 1.00 0.00 C ATOM 779 CD ARG A 49 -3.369 5.640 17.787 1.00 0.00 C ATOM 780 NE ARG A 49 -4.632 6.342 18.103 1.00 0.00 N ATOM 781 CZ ARG A 49 -4.763 7.252 19.078 1.00 0.00 C ATOM 782 NH1 ARG A 49 -3.708 7.577 19.836 1.00 0.00 N ATOM 783 NH2 ARG A 49 -5.949 7.838 19.292 1.00 0.00 N ATOM 0 HA ARG A 49 -5.468 3.510 16.397 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.703 3.210 17.383 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.820 3.071 15.640 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.687 5.371 15.759 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.423 5.226 15.952 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.162 4.887 18.548 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.538 6.345 17.802 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.455 6.119 17.543 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.805 7.132 19.671 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.807 8.270 20.578 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.752 7.591 18.713 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.049 8.531 20.034 1.00 0.00 H new ATOM 797 N PRO A 50 -5.973 1.391 15.134 1.00 0.00 N ATOM 798 CA PRO A 50 -6.186 0.281 14.220 1.00 0.00 C ATOM 799 C PRO A 50 -5.515 0.544 12.871 1.00 0.00 C ATOM 800 O PRO A 50 -5.086 1.663 12.595 1.00 0.00 O ATOM 801 CB PRO A 50 -7.697 0.143 14.116 1.00 0.00 C ATOM 802 CG PRO A 50 -8.271 1.465 14.601 1.00 0.00 C ATOM 803 CD PRO A 50 -7.159 2.225 15.306 1.00 0.00 C ATOM 0 HA PRO A 50 -5.737 -0.647 14.573 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.001 -0.061 13.089 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.056 -0.686 14.726 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.657 2.044 13.762 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.106 1.293 15.280 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.015 3.213 14.868 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.389 2.374 16.361 1.00 0.00 H new ATOM 811 N VAL A 51 -5.446 -0.507 12.066 1.00 0.00 N ATOM 812 CA VAL A 51 -4.834 -0.403 10.753 1.00 0.00 C ATOM 813 C VAL A 51 -5.631 -1.247 9.756 1.00 0.00 C ATOM 814 O VAL A 51 -5.617 -2.475 9.826 1.00 0.00 O ATOM 815 CB VAL A 51 -3.359 -0.803 10.829 1.00 0.00 C ATOM 816 CG1 VAL A 51 -2.530 0.288 11.509 1.00 0.00 C ATOM 817 CG2 VAL A 51 -3.192 -2.145 11.544 1.00 0.00 C ATOM 0 H VAL A 51 -5.804 -1.434 12.298 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.859 0.628 10.401 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.989 -0.918 9.810 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.486 -0.021 11.550 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.612 1.215 10.941 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.901 0.449 12.521 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.135 -2.406 11.585 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.586 -2.069 12.557 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.736 -2.917 11.000 1.00 0.00 H new ATOM 827 N ILE A 52 -6.308 -0.553 8.852 1.00 0.00 N ATOM 828 CA ILE A 52 -7.109 -1.223 7.842 1.00 0.00 C ATOM 829 C ILE A 52 -6.432 -1.075 6.478 1.00 0.00 C ATOM 830 O ILE A 52 -6.012 0.019 6.107 1.00 0.00 O ATOM 831 CB ILE A 52 -8.550 -0.709 7.873 1.00 0.00 C ATOM 832 CG1 ILE A 52 -8.697 0.560 7.032 1.00 0.00 C ATOM 833 CG2 ILE A 52 -9.027 -0.501 9.311 1.00 0.00 C ATOM 834 CD1 ILE A 52 -10.167 0.970 6.907 1.00 0.00 C ATOM 0 H ILE A 52 -6.318 0.466 8.798 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.171 -2.291 8.052 1.00 0.00 H new ATOM 0 HB ILE A 52 -9.193 -1.468 7.427 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.128 1.370 7.488 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.277 0.394 6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.054 -0.135 9.304 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.982 -1.448 9.850 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.385 0.228 9.805 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.242 1.875 6.304 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.729 0.168 6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.577 1.159 7.899 1.00 0.00 H new ATOM 846 N MET A 53 -6.348 -2.191 5.770 1.00 0.00 N ATOM 847 CA MET A 53 -5.731 -2.199 4.455 1.00 0.00 C ATOM 848 C MET A 53 -6.688 -1.651 3.396 1.00 0.00 C ATOM 849 O MET A 53 -7.858 -2.024 3.358 1.00 0.00 O ATOM 850 CB MET A 53 -5.327 -3.628 4.088 1.00 0.00 C ATOM 851 CG MET A 53 -3.831 -3.853 4.321 1.00 0.00 C ATOM 852 SD MET A 53 -3.565 -4.564 5.936 1.00 0.00 S ATOM 853 CE MET A 53 -1.912 -3.975 6.263 1.00 0.00 C ATOM 0 H MET A 53 -6.697 -3.097 6.082 1.00 0.00 H new ATOM 0 HA MET A 53 -4.849 -1.559 4.486 1.00 0.00 H new ATOM 0 HB2 MET A 53 -5.902 -4.337 4.684 1.00 0.00 H new ATOM 0 HB3 MET A 53 -5.569 -3.821 3.043 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.430 -4.515 3.553 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.295 -2.907 4.238 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.586 -4.330 7.241 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.234 -4.350 5.496 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.905 -2.885 6.252 1.00 0.00 H new ATOM 863 N ILE A 54 -6.153 -0.773 2.559 1.00 0.00 N ATOM 864 CA ILE A 54 -6.946 -0.168 1.501 1.00 0.00 C ATOM 865 C ILE A 54 -6.027 0.219 0.339 1.00 0.00 C ATOM 866 O ILE A 54 -6.178 1.291 -0.243 1.00 0.00 O ATOM 867 CB ILE A 54 -7.770 0.998 2.049 1.00 0.00 C ATOM 868 CG1 ILE A 54 -6.903 1.932 2.895 1.00 0.00 C ATOM 869 CG2 ILE A 54 -8.990 0.492 2.821 1.00 0.00 C ATOM 870 CD1 ILE A 54 -6.639 3.250 2.161 1.00 0.00 C ATOM 0 H ILE A 54 -5.181 -0.466 2.592 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.670 -0.883 1.111 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.142 1.580 1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.399 2.133 3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.956 1.445 3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.559 1.341 3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.621 -0.100 2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.661 -0.126 3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.020 3.896 2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.122 3.047 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.587 3.746 1.952 1.00 0.00 H new ATOM 882 N HIS A 55 -5.099 -0.677 0.038 1.00 0.00 N ATOM 883 CA HIS A 55 -4.157 -0.441 -1.043 1.00 0.00 C ATOM 884 C HIS A 55 -3.117 -1.564 -1.072 1.00 0.00 C ATOM 885 O HIS A 55 -2.187 -1.574 -0.267 1.00 0.00 O ATOM 886 CB HIS A 55 -3.526 0.947 -0.924 1.00 0.00 C ATOM 887 CG HIS A 55 -3.655 1.790 -2.170 1.00 0.00 C ATOM 888 ND1 HIS A 55 -4.602 2.790 -2.305 1.00 0.00 N ATOM 889 CD2 HIS A 55 -2.945 1.771 -3.334 1.00 0.00 C ATOM 890 CE1 HIS A 55 -4.459 3.341 -3.501 1.00 0.00 C ATOM 891 NE2 HIS A 55 -3.433 2.708 -4.137 1.00 0.00 N ATOM 0 H HIS A 55 -4.979 -1.566 0.523 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.684 -0.455 -1.997 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.990 1.475 -0.091 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.469 0.835 -0.682 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.125 1.107 -3.563 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.052 4.150 -3.902 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.096 2.920 -5.076 1.00 0.00 H new ATOM 899 N THR A 56 -3.310 -2.483 -2.007 1.00 0.00 N ATOM 900 CA THR A 56 -2.401 -3.606 -2.149 1.00 0.00 C ATOM 901 C THR A 56 -1.790 -3.623 -3.551 1.00 0.00 C ATOM 902 O THR A 56 -2.511 -3.599 -4.548 1.00 0.00 O ATOM 903 CB THR A 56 -3.171 -4.884 -1.808 1.00 0.00 C ATOM 904 OG1 THR A 56 -4.410 -4.737 -2.494 1.00 0.00 O ATOM 905 CG2 THR A 56 -3.569 -4.951 -0.331 1.00 0.00 C ATOM 0 H THR A 56 -4.082 -2.472 -2.673 1.00 0.00 H new ATOM 0 HA THR A 56 -1.559 -3.522 -1.462 1.00 0.00 H new ATOM 0 HB THR A 56 -2.562 -5.752 -2.060 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.241 -4.451 -3.416 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.113 -5.877 -0.142 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.673 -4.923 0.289 1.00 0.00 H new ATOM 0 HG23 THR A 56 -4.205 -4.100 -0.087 1.00 0.00 H new ATOM 913 N GLU A 57 -0.466 -3.662 -3.585 1.00 0.00 N ATOM 914 CA GLU A 57 0.251 -3.682 -4.849 1.00 0.00 C ATOM 915 C GLU A 57 1.414 -4.674 -4.784 1.00 0.00 C ATOM 916 O GLU A 57 1.877 -5.026 -3.699 1.00 0.00 O ATOM 917 CB GLU A 57 0.745 -2.282 -5.220 1.00 0.00 C ATOM 918 CG GLU A 57 0.148 -1.825 -6.552 1.00 0.00 C ATOM 919 CD GLU A 57 0.713 -0.466 -6.969 1.00 0.00 C ATOM 920 OE1 GLU A 57 0.447 0.508 -6.233 1.00 0.00 O ATOM 921 OE2 GLU A 57 1.397 -0.433 -8.015 1.00 0.00 O ATOM 0 H GLU A 57 0.129 -3.680 -2.757 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.436 -4.009 -5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.473 -1.577 -4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.833 -2.282 -5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.363 -2.564 -7.324 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.937 -1.761 -6.465 1.00 0.00 H new ATOM 928 N LYS A 58 1.853 -5.099 -5.960 1.00 0.00 N ATOM 929 CA LYS A 58 2.953 -6.045 -6.051 1.00 0.00 C ATOM 930 C LYS A 58 4.027 -5.482 -6.983 1.00 0.00 C ATOM 931 O LYS A 58 3.713 -4.828 -7.975 1.00 0.00 O ATOM 932 CB LYS A 58 2.440 -7.425 -6.466 1.00 0.00 C ATOM 933 CG LYS A 58 2.000 -7.428 -7.932 1.00 0.00 C ATOM 934 CD LYS A 58 0.474 -7.446 -8.045 1.00 0.00 C ATOM 935 CE LYS A 58 -0.036 -6.203 -8.777 1.00 0.00 C ATOM 936 NZ LYS A 58 -0.197 -6.481 -10.221 1.00 0.00 N ATOM 0 H LYS A 58 1.467 -4.806 -6.858 1.00 0.00 H new ATOM 0 HA LYS A 58 3.418 -6.184 -5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.223 -8.168 -6.316 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.602 -7.712 -5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.395 -6.546 -8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.416 -8.299 -8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.156 -8.342 -8.577 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.033 -7.493 -7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.990 -5.890 -8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.662 -5.378 -8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.544 -5.627 -10.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.720 -6.758 -10.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.881 -7.254 -10.352 1.00 0.00 H new ATOM 950 N PHE A 59 5.274 -5.757 -6.630 1.00 0.00 N ATOM 951 CA PHE A 59 6.398 -5.286 -7.421 1.00 0.00 C ATOM 952 C PHE A 59 7.452 -6.384 -7.586 1.00 0.00 C ATOM 953 O PHE A 59 8.261 -6.612 -6.688 1.00 0.00 O ATOM 954 CB PHE A 59 7.018 -4.109 -6.665 1.00 0.00 C ATOM 955 CG PHE A 59 6.021 -3.001 -6.314 1.00 0.00 C ATOM 956 CD1 PHE A 59 5.099 -2.604 -7.229 1.00 0.00 C ATOM 957 CD2 PHE A 59 6.061 -2.416 -5.088 1.00 0.00 C ATOM 958 CE1 PHE A 59 4.174 -1.575 -6.903 1.00 0.00 C ATOM 959 CE2 PHE A 59 5.138 -1.388 -4.761 1.00 0.00 C ATOM 960 CZ PHE A 59 4.214 -0.989 -5.676 1.00 0.00 C ATOM 0 H PHE A 59 5.531 -6.301 -5.806 1.00 0.00 H new ATOM 0 HA PHE A 59 6.056 -4.995 -8.414 1.00 0.00 H new ATOM 0 HB2 PHE A 59 7.473 -4.479 -5.746 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.820 -3.684 -7.269 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.069 -3.070 -8.203 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.795 -2.733 -4.362 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.440 -1.259 -7.629 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.169 -0.923 -3.787 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.512 -0.207 -5.428 1.00 0.00 H new ATOM 970 N GLU A 60 7.407 -7.035 -8.739 1.00 0.00 N ATOM 971 CA GLU A 60 8.349 -8.101 -9.032 1.00 0.00 C ATOM 972 C GLU A 60 9.760 -7.535 -9.203 1.00 0.00 C ATOM 973 O GLU A 60 10.744 -8.215 -8.921 1.00 0.00 O ATOM 974 CB GLU A 60 7.919 -8.885 -10.274 1.00 0.00 C ATOM 975 CG GLU A 60 8.250 -8.111 -11.552 1.00 0.00 C ATOM 976 CD GLU A 60 7.189 -8.350 -12.629 1.00 0.00 C ATOM 977 OE1 GLU A 60 6.000 -8.127 -12.312 1.00 0.00 O ATOM 978 OE2 GLU A 60 7.591 -8.751 -13.742 1.00 0.00 O ATOM 0 H GLU A 60 6.733 -6.845 -9.481 1.00 0.00 H new ATOM 0 HA GLU A 60 8.357 -8.792 -8.189 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.421 -9.852 -10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.848 -9.083 -10.231 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.314 -7.046 -11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.227 -8.418 -11.925 1.00 0.00 H new ATOM 985 N THR A 61 9.812 -6.294 -9.663 1.00 0.00 N ATOM 986 CA THR A 61 11.086 -5.626 -9.875 1.00 0.00 C ATOM 987 C THR A 61 11.136 -4.312 -9.092 1.00 0.00 C ATOM 988 O THR A 61 10.098 -3.763 -8.727 1.00 0.00 O ATOM 989 CB THR A 61 11.280 -5.445 -11.380 1.00 0.00 C ATOM 990 OG1 THR A 61 10.016 -4.975 -11.841 1.00 0.00 O ATOM 991 CG2 THR A 61 11.471 -6.777 -12.111 1.00 0.00 C ATOM 0 H THR A 61 8.993 -5.733 -9.895 1.00 0.00 H new ATOM 0 HA THR A 61 11.915 -6.225 -9.496 1.00 0.00 H new ATOM 0 HB THR A 61 12.144 -4.805 -11.559 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.054 -4.830 -12.809 1.00 0.00 H new ATOM 0 HG21 THR A 61 11.604 -6.591 -13.177 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.352 -7.285 -11.718 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.593 -7.405 -11.959 1.00 0.00 H new ATOM 999 N ARG A 62 12.354 -3.844 -8.861 1.00 0.00 N ATOM 1000 CA ARG A 62 12.552 -2.604 -8.130 1.00 0.00 C ATOM 1001 C ARG A 62 12.102 -1.412 -8.976 1.00 0.00 C ATOM 1002 O ARG A 62 11.723 -0.372 -8.439 1.00 0.00 O ATOM 1003 CB ARG A 62 14.022 -2.422 -7.744 1.00 0.00 C ATOM 1004 CG ARG A 62 14.886 -2.168 -8.980 1.00 0.00 C ATOM 1005 CD ARG A 62 16.348 -1.942 -8.590 1.00 0.00 C ATOM 1006 NE ARG A 62 17.178 -1.782 -9.806 1.00 0.00 N ATOM 1007 CZ ARG A 62 17.562 -2.797 -10.591 1.00 0.00 C ATOM 1008 NH1 ARG A 62 17.195 -4.050 -10.295 1.00 0.00 N ATOM 1009 NH2 ARG A 62 18.314 -2.556 -11.675 1.00 0.00 N ATOM 0 H ARG A 62 13.213 -4.301 -9.167 1.00 0.00 H new ATOM 0 HA ARG A 62 11.953 -2.655 -7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.119 -1.587 -7.050 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.378 -3.311 -7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.814 -3.018 -9.659 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.511 -1.297 -9.518 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.433 -1.055 -7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.710 -2.785 -8.001 1.00 0.00 H new ATOM 0 HE ARG A 62 17.476 -0.840 -10.062 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.622 -4.232 -9.471 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.488 -4.822 -10.894 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.593 -1.601 -11.900 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.607 -3.328 -12.274 1.00 0.00 H new ATOM 1023 N SER A 63 12.161 -1.600 -10.286 1.00 0.00 N ATOM 1024 CA SER A 63 11.766 -0.554 -11.212 1.00 0.00 C ATOM 1025 C SER A 63 10.317 -0.136 -10.942 1.00 0.00 C ATOM 1026 O SER A 63 10.045 1.034 -10.681 1.00 0.00 O ATOM 1027 CB SER A 63 11.922 -1.012 -12.664 1.00 0.00 C ATOM 1028 OG SER A 63 13.238 -0.777 -13.157 1.00 0.00 O ATOM 0 H SER A 63 12.477 -2.463 -10.728 1.00 0.00 H new ATOM 0 HA SER A 63 12.422 0.303 -11.058 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.692 -2.075 -12.736 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.201 -0.487 -13.290 1.00 0.00 H new ATOM 0 HG SER A 63 13.299 -1.084 -14.086 1.00 0.00 H new ATOM 1034 N GLU A 64 9.430 -1.116 -11.014 1.00 0.00 N ATOM 1035 CA GLU A 64 8.017 -0.865 -10.781 1.00 0.00 C ATOM 1036 C GLU A 64 7.801 -0.320 -9.368 1.00 0.00 C ATOM 1037 O GLU A 64 7.075 0.654 -9.178 1.00 0.00 O ATOM 1038 CB GLU A 64 7.189 -2.131 -11.012 1.00 0.00 C ATOM 1039 CG GLU A 64 6.630 -2.167 -12.436 1.00 0.00 C ATOM 1040 CD GLU A 64 5.514 -3.206 -12.561 1.00 0.00 C ATOM 1041 OE1 GLU A 64 5.862 -4.402 -12.674 1.00 0.00 O ATOM 1042 OE2 GLU A 64 4.339 -2.782 -12.540 1.00 0.00 O ATOM 0 H GLU A 64 9.661 -2.086 -11.230 1.00 0.00 H new ATOM 0 HA GLU A 64 7.679 -0.114 -11.495 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.808 -3.011 -10.838 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.369 -2.170 -10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.247 -1.183 -12.705 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.430 -2.401 -13.139 1.00 0.00 H new ATOM 1049 N ALA A 65 8.447 -0.973 -8.412 1.00 0.00 N ATOM 1050 CA ALA A 65 8.335 -0.566 -7.021 1.00 0.00 C ATOM 1051 C ALA A 65 8.423 0.958 -6.932 1.00 0.00 C ATOM 1052 O ALA A 65 7.457 1.619 -6.552 1.00 0.00 O ATOM 1053 CB ALA A 65 9.419 -1.264 -6.197 1.00 0.00 C ATOM 0 H ALA A 65 9.049 -1.780 -8.573 1.00 0.00 H new ATOM 0 HA ALA A 65 7.371 -0.864 -6.609 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.336 -0.959 -5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.293 -2.344 -6.271 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.402 -0.986 -6.579 1.00 0.00 H new ATOM 1059 N THR A 66 9.591 1.473 -7.286 1.00 0.00 N ATOM 1060 CA THR A 66 9.819 2.908 -7.251 1.00 0.00 C ATOM 1061 C THR A 66 8.819 3.629 -8.155 1.00 0.00 C ATOM 1062 O THR A 66 8.472 4.784 -7.907 1.00 0.00 O ATOM 1063 CB THR A 66 11.278 3.164 -7.632 1.00 0.00 C ATOM 1064 OG1 THR A 66 11.404 4.584 -7.586 1.00 0.00 O ATOM 1065 CG2 THR A 66 11.574 2.811 -9.090 1.00 0.00 C ATOM 0 H THR A 66 10.390 0.922 -7.599 1.00 0.00 H new ATOM 0 HA THR A 66 9.654 3.311 -6.252 1.00 0.00 H new ATOM 0 HB THR A 66 11.930 2.584 -6.979 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.321 4.839 -7.819 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.623 3.012 -9.307 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.364 1.755 -9.258 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.946 3.415 -9.745 1.00 0.00 H new ATOM 1073 N LYS A 67 8.381 2.919 -9.185 1.00 0.00 N ATOM 1074 CA LYS A 67 7.428 3.476 -10.128 1.00 0.00 C ATOM 1075 C LYS A 67 6.090 3.700 -9.421 1.00 0.00 C ATOM 1076 O LYS A 67 5.594 4.825 -9.364 1.00 0.00 O ATOM 1077 CB LYS A 67 7.325 2.593 -11.373 1.00 0.00 C ATOM 1078 CG LYS A 67 7.026 3.432 -12.617 1.00 0.00 C ATOM 1079 CD LYS A 67 6.587 2.545 -13.783 1.00 0.00 C ATOM 1080 CE LYS A 67 7.563 2.656 -14.956 1.00 0.00 C ATOM 1081 NZ LYS A 67 7.096 1.840 -16.100 1.00 0.00 N ATOM 0 H LYS A 67 8.670 1.962 -9.386 1.00 0.00 H new ATOM 0 HA LYS A 67 7.769 4.448 -10.484 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.258 2.047 -11.514 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.539 1.851 -11.233 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.244 4.157 -12.392 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.913 3.998 -12.900 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.527 1.508 -13.453 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.588 2.835 -14.108 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.658 3.698 -15.260 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.553 2.323 -14.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.770 1.927 -16.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.028 0.843 -15.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.161 2.176 -16.407 1.00 0.00 H new ATOM 1095 N ALA A 68 5.542 2.612 -8.901 1.00 0.00 N ATOM 1096 CA ALA A 68 4.270 2.675 -8.200 1.00 0.00 C ATOM 1097 C ALA A 68 4.381 3.670 -7.042 1.00 0.00 C ATOM 1098 O ALA A 68 3.397 4.312 -6.675 1.00 0.00 O ATOM 1099 CB ALA A 68 3.877 1.274 -7.729 1.00 0.00 C ATOM 0 H ALA A 68 5.955 1.681 -8.951 1.00 0.00 H new ATOM 0 HA ALA A 68 3.482 3.028 -8.865 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.923 1.321 -7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.784 0.613 -8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.643 0.888 -7.057 1.00 0.00 H new ATOM 1105 N GLU A 69 5.585 3.767 -6.499 1.00 0.00 N ATOM 1106 CA GLU A 69 5.836 4.672 -5.391 1.00 0.00 C ATOM 1107 C GLU A 69 5.752 6.125 -5.864 1.00 0.00 C ATOM 1108 O GLU A 69 4.963 6.909 -5.335 1.00 0.00 O ATOM 1109 CB GLU A 69 7.192 4.383 -4.743 1.00 0.00 C ATOM 1110 CG GLU A 69 7.016 3.718 -3.377 1.00 0.00 C ATOM 1111 CD GLU A 69 6.821 4.763 -2.278 1.00 0.00 C ATOM 1112 OE1 GLU A 69 6.262 5.832 -2.605 1.00 0.00 O ATOM 1113 OE2 GLU A 69 7.233 4.469 -1.135 1.00 0.00 O ATOM 0 H GLU A 69 6.398 3.233 -6.806 1.00 0.00 H new ATOM 0 HA GLU A 69 5.068 4.512 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.779 3.735 -5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.750 5.312 -4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.156 3.048 -3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.890 3.107 -3.151 1.00 0.00 H new ATOM 1120 N ALA A 70 6.575 6.441 -6.852 1.00 0.00 N ATOM 1121 CA ALA A 70 6.604 7.785 -7.401 1.00 0.00 C ATOM 1122 C ALA A 70 5.173 8.247 -7.685 1.00 0.00 C ATOM 1123 O ALA A 70 4.800 9.371 -7.350 1.00 0.00 O ATOM 1124 CB ALA A 70 7.482 7.808 -8.653 1.00 0.00 C ATOM 0 H ALA A 70 7.227 5.789 -7.287 1.00 0.00 H new ATOM 0 HA ALA A 70 7.040 8.481 -6.685 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.503 8.817 -9.064 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.495 7.501 -8.393 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.075 7.122 -9.396 1.00 0.00 H new ATOM 1130 N ALA A 71 4.409 7.356 -8.300 1.00 0.00 N ATOM 1131 CA ALA A 71 3.027 7.656 -8.633 1.00 0.00 C ATOM 1132 C ALA A 71 2.223 7.830 -7.343 1.00 0.00 C ATOM 1133 O ALA A 71 1.593 8.866 -7.135 1.00 0.00 O ATOM 1134 CB ALA A 71 2.464 6.550 -9.527 1.00 0.00 C ATOM 0 H ALA A 71 4.721 6.425 -8.577 1.00 0.00 H new ATOM 0 HA ALA A 71 2.961 8.590 -9.191 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.427 6.776 -9.776 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.052 6.488 -10.443 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.511 5.597 -9.000 1.00 0.00 H new ATOM 1140 N PHE A 72 2.268 6.800 -6.511 1.00 0.00 N ATOM 1141 CA PHE A 72 1.552 6.825 -5.248 1.00 0.00 C ATOM 1142 C PHE A 72 1.861 8.105 -4.468 1.00 0.00 C ATOM 1143 O PHE A 72 0.948 8.804 -4.030 1.00 0.00 O ATOM 1144 CB PHE A 72 2.032 5.620 -4.436 1.00 0.00 C ATOM 1145 CG PHE A 72 1.851 5.775 -2.926 1.00 0.00 C ATOM 1146 CD1 PHE A 72 2.838 6.338 -2.177 1.00 0.00 C ATOM 1147 CD2 PHE A 72 0.705 5.350 -2.330 1.00 0.00 C ATOM 1148 CE1 PHE A 72 2.671 6.482 -0.774 1.00 0.00 C ATOM 1149 CE2 PHE A 72 0.537 5.494 -0.928 1.00 0.00 C ATOM 1150 CZ PHE A 72 1.524 6.056 -0.180 1.00 0.00 C ATOM 0 H PHE A 72 2.790 5.942 -6.688 1.00 0.00 H new ATOM 0 HA PHE A 72 0.478 6.791 -5.430 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.491 4.733 -4.767 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.087 5.448 -4.649 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.749 6.675 -2.650 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.078 4.902 -2.924 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.454 6.929 -0.179 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.374 5.157 -0.456 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.397 6.164 0.887 1.00 0.00 H new ATOM 1160 N LYS A 73 3.149 8.373 -4.318 1.00 0.00 N ATOM 1161 CA LYS A 73 3.589 9.556 -3.600 1.00 0.00 C ATOM 1162 C LYS A 73 2.994 10.801 -4.261 1.00 0.00 C ATOM 1163 O LYS A 73 2.857 11.843 -3.622 1.00 0.00 O ATOM 1164 CB LYS A 73 5.116 9.585 -3.498 1.00 0.00 C ATOM 1165 CG LYS A 73 5.580 9.193 -2.093 1.00 0.00 C ATOM 1166 CD LYS A 73 5.654 10.418 -1.179 1.00 0.00 C ATOM 1167 CE LYS A 73 5.364 10.036 0.275 1.00 0.00 C ATOM 1168 NZ LYS A 73 5.447 11.226 1.149 1.00 0.00 N ATOM 0 H LYS A 73 3.903 7.790 -4.682 1.00 0.00 H new ATOM 0 HA LYS A 73 3.224 9.535 -2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.546 8.902 -4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.481 10.583 -3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.893 8.460 -1.670 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.559 8.717 -2.149 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.644 10.870 -1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.937 11.168 -1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.372 9.591 0.349 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.077 9.282 0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.248 10.950 2.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.402 11.633 1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.750 11.933 0.840 1.00 0.00 H new ATOM 1182 N LYS A 74 2.656 10.651 -5.533 1.00 0.00 N ATOM 1183 CA LYS A 74 2.079 11.750 -6.288 1.00 0.00 C ATOM 1184 C LYS A 74 0.571 11.801 -6.035 1.00 0.00 C ATOM 1185 O LYS A 74 -0.020 12.878 -5.996 1.00 0.00 O ATOM 1186 CB LYS A 74 2.449 11.637 -7.769 1.00 0.00 C ATOM 1187 CG LYS A 74 3.427 12.742 -8.176 1.00 0.00 C ATOM 1188 CD LYS A 74 4.265 12.316 -9.384 1.00 0.00 C ATOM 1189 CE LYS A 74 5.760 12.402 -9.071 1.00 0.00 C ATOM 1190 NZ LYS A 74 6.483 13.057 -10.184 1.00 0.00 N ATOM 0 H LYS A 74 2.771 9.785 -6.060 1.00 0.00 H new ATOM 0 HA LYS A 74 2.493 12.701 -5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.896 10.662 -7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.548 11.701 -8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.875 13.651 -8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.084 12.978 -7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.007 11.296 -9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.031 12.953 -10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.913 12.963 -8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.162 11.402 -8.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.497 13.108 -9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.351 12.506 -11.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.110 14.018 -10.322 1.00 0.00 H new ATOM 1204 N LEU A 75 -0.008 10.621 -5.866 1.00 0.00 N ATOM 1205 CA LEU A 75 -1.436 10.517 -5.617 1.00 0.00 C ATOM 1206 C LEU A 75 -1.746 11.062 -4.221 1.00 0.00 C ATOM 1207 O LEU A 75 -0.887 11.048 -3.341 1.00 0.00 O ATOM 1208 CB LEU A 75 -1.915 9.080 -5.838 1.00 0.00 C ATOM 1209 CG LEU A 75 -1.640 8.486 -7.220 1.00 0.00 C ATOM 1210 CD1 LEU A 75 -2.082 7.023 -7.286 1.00 0.00 C ATOM 1211 CD2 LEU A 75 -2.288 9.331 -8.319 1.00 0.00 C ATOM 0 H LEU A 75 0.486 9.729 -5.897 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.993 11.127 -6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.444 8.442 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.989 9.044 -5.656 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.564 8.505 -7.392 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.875 6.625 -8.279 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.535 6.444 -6.542 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.151 6.956 -7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.077 8.887 -9.292 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.366 9.367 -8.162 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.883 10.342 -8.287 1.00 0.00 H new ATOM 1223 N THR A 76 -2.977 11.528 -4.063 1.00 0.00 N ATOM 1224 CA THR A 76 -3.411 12.076 -2.789 1.00 0.00 C ATOM 1225 C THR A 76 -4.546 11.232 -2.204 1.00 0.00 C ATOM 1226 O THR A 76 -4.787 10.113 -2.655 1.00 0.00 O ATOM 1227 CB THR A 76 -3.795 13.540 -3.011 1.00 0.00 C ATOM 1228 OG1 THR A 76 -4.162 14.003 -1.714 1.00 0.00 O ATOM 1229 CG2 THR A 76 -5.073 13.692 -3.837 1.00 0.00 C ATOM 0 H THR A 76 -3.687 11.537 -4.796 1.00 0.00 H new ATOM 0 HA THR A 76 -2.610 12.043 -2.051 1.00 0.00 H new ATOM 0 HB THR A 76 -2.977 14.058 -3.511 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.477 13.736 -1.066 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.300 14.750 -3.965 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.932 13.231 -4.814 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.900 13.203 -3.321 1.00 0.00 H new ATOM 1237 N ARG A 77 -5.211 11.801 -1.211 1.00 0.00 N ATOM 1238 CA ARG A 77 -6.315 11.115 -0.560 1.00 0.00 C ATOM 1239 C ARG A 77 -7.451 10.873 -1.556 1.00 0.00 C ATOM 1240 O ARG A 77 -8.379 10.115 -1.274 1.00 0.00 O ATOM 1241 CB ARG A 77 -6.847 11.926 0.622 1.00 0.00 C ATOM 1242 CG ARG A 77 -7.476 13.239 0.148 1.00 0.00 C ATOM 1243 CD ARG A 77 -6.687 14.445 0.664 1.00 0.00 C ATOM 1244 NE ARG A 77 -7.605 15.573 0.932 1.00 0.00 N ATOM 1245 CZ ARG A 77 -8.380 15.668 2.020 1.00 0.00 C ATOM 1246 NH1 ARG A 77 -8.355 14.702 2.947 1.00 0.00 N ATOM 1247 NH2 ARG A 77 -9.183 16.730 2.179 1.00 0.00 N ATOM 0 H ARG A 77 -5.007 12.729 -0.841 1.00 0.00 H new ATOM 0 HA ARG A 77 -5.941 10.160 -0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.587 11.340 1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.035 12.138 1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.506 13.259 -0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.507 13.299 0.497 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.151 14.177 1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.938 14.741 -0.071 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.651 16.326 0.245 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.745 13.893 2.825 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.945 14.775 3.776 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.203 17.465 1.472 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.774 16.803 3.007 1.00 0.00 H new ATOM 1261 N LYS A 78 -7.339 11.529 -2.702 1.00 0.00 N ATOM 1262 CA LYS A 78 -8.346 11.396 -3.741 1.00 0.00 C ATOM 1263 C LYS A 78 -7.953 10.253 -4.680 1.00 0.00 C ATOM 1264 O LYS A 78 -8.546 9.176 -4.635 1.00 0.00 O ATOM 1265 CB LYS A 78 -8.562 12.731 -4.454 1.00 0.00 C ATOM 1266 CG LYS A 78 -9.827 13.426 -3.946 1.00 0.00 C ATOM 1267 CD LYS A 78 -9.577 14.918 -3.715 1.00 0.00 C ATOM 1268 CE LYS A 78 -10.712 15.545 -2.903 1.00 0.00 C ATOM 1269 NZ LYS A 78 -10.212 16.690 -2.111 1.00 0.00 N ATOM 0 H LYS A 78 -6.567 12.154 -2.934 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.311 11.136 -3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.699 13.377 -4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.641 12.565 -5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.633 13.296 -4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.154 12.960 -3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.631 15.055 -3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.486 15.428 -4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.505 15.877 -3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.147 14.798 -2.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.995 17.104 -1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.471 16.364 -1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.818 17.409 -2.751 1.00 0.00 H new ATOM 1283 N GLN A 79 -6.957 10.528 -5.509 1.00 0.00 N ATOM 1284 CA GLN A 79 -6.478 9.537 -6.458 1.00 0.00 C ATOM 1285 C GLN A 79 -6.445 8.152 -5.808 1.00 0.00 C ATOM 1286 O GLN A 79 -6.965 7.187 -6.366 1.00 0.00 O ATOM 1287 CB GLN A 79 -5.100 9.920 -7.002 1.00 0.00 C ATOM 1288 CG GLN A 79 -5.223 10.939 -8.135 1.00 0.00 C ATOM 1289 CD GLN A 79 -5.116 12.369 -7.601 1.00 0.00 C ATOM 1290 OE1 GLN A 79 -5.635 12.707 -6.549 1.00 0.00 O ATOM 1291 NE2 GLN A 79 -4.415 13.187 -8.381 1.00 0.00 N ATOM 0 H GLN A 79 -6.468 11.423 -5.543 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.169 9.505 -7.300 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.491 10.335 -6.199 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.587 9.029 -7.364 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.441 10.763 -8.873 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.178 10.808 -8.645 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.007 12.839 -9.249 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.285 14.162 -8.111 1.00 0.00 H new ATOM 1300 N LYS A 80 -5.830 8.098 -4.636 1.00 0.00 N ATOM 1301 CA LYS A 80 -5.723 6.847 -3.904 1.00 0.00 C ATOM 1302 C LYS A 80 -7.118 6.246 -3.723 1.00 0.00 C ATOM 1303 O LYS A 80 -7.354 5.095 -4.089 1.00 0.00 O ATOM 1304 CB LYS A 80 -4.969 7.059 -2.589 1.00 0.00 C ATOM 1305 CG LYS A 80 -3.456 7.023 -2.812 1.00 0.00 C ATOM 1306 CD LYS A 80 -2.781 8.250 -2.195 1.00 0.00 C ATOM 1307 CE LYS A 80 -1.326 7.951 -1.832 1.00 0.00 C ATOM 1308 NZ LYS A 80 -1.110 8.121 -0.377 1.00 0.00 N ATOM 0 H LYS A 80 -5.401 8.900 -4.175 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.135 6.124 -4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.253 8.017 -2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.253 6.287 -1.874 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.042 6.116 -2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.243 6.985 -3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.821 9.083 -2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.326 8.559 -1.303 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.073 6.933 -2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.663 8.617 -2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.370 7.464 -0.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.813 9.099 -0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.995 7.920 0.131 1.00 0.00 H new ATOM 1322 N GLU A 81 -8.005 7.050 -3.158 1.00 0.00 N ATOM 1323 CA GLU A 81 -9.371 6.612 -2.925 1.00 0.00 C ATOM 1324 C GLU A 81 -9.980 6.061 -4.216 1.00 0.00 C ATOM 1325 O GLU A 81 -10.881 5.225 -4.174 1.00 0.00 O ATOM 1326 CB GLU A 81 -10.224 7.750 -2.360 1.00 0.00 C ATOM 1327 CG GLU A 81 -11.585 7.234 -1.891 1.00 0.00 C ATOM 1328 CD GLU A 81 -12.057 7.987 -0.644 1.00 0.00 C ATOM 1329 OE1 GLU A 81 -11.485 7.717 0.433 1.00 0.00 O ATOM 1330 OE2 GLU A 81 -12.980 8.816 -0.798 1.00 0.00 O ATOM 0 H GLU A 81 -7.805 8.003 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.353 5.813 -2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.703 8.221 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.365 8.517 -3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.317 7.351 -2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.518 6.168 -1.673 1.00 0.00 H new ATOM 1337 N GLN A 82 -9.462 6.550 -5.332 1.00 0.00 N ATOM 1338 CA GLN A 82 -9.943 6.117 -6.633 1.00 0.00 C ATOM 1339 C GLN A 82 -9.567 4.655 -6.878 1.00 0.00 C ATOM 1340 O GLN A 82 -10.398 3.861 -7.318 1.00 0.00 O ATOM 1341 CB GLN A 82 -9.402 7.017 -7.746 1.00 0.00 C ATOM 1342 CG GLN A 82 -10.534 7.526 -8.640 1.00 0.00 C ATOM 1343 CD GLN A 82 -11.038 8.890 -8.162 1.00 0.00 C ATOM 1344 OE1 GLN A 82 -10.634 9.934 -8.647 1.00 0.00 O ATOM 1345 NE2 GLN A 82 -11.941 8.821 -7.188 1.00 0.00 N ATOM 0 H GLN A 82 -8.714 7.242 -5.363 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.030 6.199 -6.642 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.871 7.863 -7.309 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.680 6.464 -8.347 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.183 7.604 -9.669 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.355 6.809 -8.637 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.235 7.913 -6.828 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.340 9.676 -6.801 1.00 0.00 H new ATOM 1354 N TYR A 83 -8.312 4.342 -6.584 1.00 0.00 N ATOM 1355 CA TYR A 83 -7.816 2.990 -6.767 1.00 0.00 C ATOM 1356 C TYR A 83 -8.640 1.988 -5.953 1.00 0.00 C ATOM 1357 O TYR A 83 -8.924 0.887 -6.422 1.00 0.00 O ATOM 1358 CB TYR A 83 -6.379 2.993 -6.244 1.00 0.00 C ATOM 1359 CG TYR A 83 -5.776 1.598 -6.069 1.00 0.00 C ATOM 1360 CD1 TYR A 83 -5.987 0.896 -4.901 1.00 0.00 C ATOM 1361 CD2 TYR A 83 -5.020 1.042 -7.082 1.00 0.00 C ATOM 1362 CE1 TYR A 83 -5.419 -0.418 -4.738 1.00 0.00 C ATOM 1363 CE2 TYR A 83 -4.452 -0.271 -6.918 1.00 0.00 C ATOM 1364 CZ TYR A 83 -4.680 -0.937 -5.754 1.00 0.00 C ATOM 1365 OH TYR A 83 -4.145 -2.176 -5.599 1.00 0.00 O ATOM 0 H TYR A 83 -7.625 5.003 -6.220 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.879 2.697 -7.815 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.755 3.564 -6.931 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.354 3.511 -5.285 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.578 1.331 -4.109 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.855 1.592 -7.997 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.577 -0.978 -3.828 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.858 -0.717 -7.702 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.438 -2.145 -4.921 1.00 0.00 H new ATOM 1375 N LEU A 84 -9.000 2.407 -4.751 1.00 0.00 N ATOM 1376 CA LEU A 84 -9.786 1.562 -3.868 1.00 0.00 C ATOM 1377 C LEU A 84 -11.100 1.192 -4.558 1.00 0.00 C ATOM 1378 O LEU A 84 -11.465 0.019 -4.619 1.00 0.00 O ATOM 1379 CB LEU A 84 -9.974 2.236 -2.506 1.00 0.00 C ATOM 1380 CG LEU A 84 -8.864 2.000 -1.482 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -8.580 0.506 -1.315 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -7.602 2.785 -1.849 1.00 0.00 C ATOM 0 H LEU A 84 -8.762 3.321 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.259 0.630 -3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -10.072 3.310 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.915 1.890 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.206 2.373 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.786 0.366 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.483 -0.000 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.268 0.086 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.828 2.599 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.247 2.465 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.831 3.850 -1.876 1.00 0.00 H new ATOM 1394 N LYS A 85 -11.775 2.216 -5.061 1.00 0.00 N ATOM 1395 CA LYS A 85 -13.041 2.014 -5.745 1.00 0.00 C ATOM 1396 C LYS A 85 -12.818 1.121 -6.968 1.00 0.00 C ATOM 1397 O LYS A 85 -13.361 0.020 -7.046 1.00 0.00 O ATOM 1398 CB LYS A 85 -13.692 3.358 -6.076 1.00 0.00 C ATOM 1399 CG LYS A 85 -15.189 3.332 -5.763 1.00 0.00 C ATOM 1400 CD LYS A 85 -15.914 4.490 -6.455 1.00 0.00 C ATOM 1401 CE LYS A 85 -16.996 5.080 -5.549 1.00 0.00 C ATOM 1402 NZ LYS A 85 -17.054 6.550 -5.702 1.00 0.00 N ATOM 0 H LYS A 85 -11.469 3.188 -5.008 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.746 1.496 -5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -13.210 4.151 -5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -13.541 3.590 -7.130 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -15.616 2.384 -6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -15.340 3.396 -4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -15.196 5.265 -6.722 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -16.364 4.139 -7.384 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -17.964 4.644 -5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -16.788 4.824 -4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -17.794 6.935 -5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -16.135 6.962 -5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -17.274 6.788 -6.690 1.00 0.00 H new ATOM 1416 N THR A 86 -12.019 1.630 -7.894 1.00 0.00 N ATOM 1417 CA THR A 86 -11.718 0.893 -9.110 1.00 0.00 C ATOM 1418 C THR A 86 -11.545 -0.596 -8.802 1.00 0.00 C ATOM 1419 O THR A 86 -11.893 -1.446 -9.620 1.00 0.00 O ATOM 1420 CB THR A 86 -10.483 1.527 -9.753 1.00 0.00 C ATOM 1421 OG1 THR A 86 -9.502 1.504 -8.719 1.00 0.00 O ATOM 1422 CG2 THR A 86 -10.676 3.015 -10.052 1.00 0.00 C ATOM 0 H THR A 86 -11.571 2.544 -7.827 1.00 0.00 H new ATOM 0 HA THR A 86 -12.541 0.952 -9.823 1.00 0.00 H new ATOM 0 HB THR A 86 -10.245 1.000 -10.677 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.912 1.189 -7.886 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.770 3.415 -10.507 1.00 0.00 H new ATOM 0 HG22 THR A 86 -11.514 3.143 -10.738 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.882 3.549 -9.124 1.00 0.00 H new ATOM 1430 N PHE A 87 -11.011 -0.865 -7.621 1.00 0.00 N ATOM 1431 CA PHE A 87 -10.789 -2.237 -7.194 1.00 0.00 C ATOM 1432 C PHE A 87 -12.061 -2.835 -6.588 1.00 0.00 C ATOM 1433 O PHE A 87 -12.417 -3.975 -6.887 1.00 0.00 O ATOM 1434 CB PHE A 87 -9.696 -2.202 -6.125 1.00 0.00 C ATOM 1435 CG PHE A 87 -8.794 -3.437 -6.116 1.00 0.00 C ATOM 1436 CD1 PHE A 87 -8.038 -3.735 -7.207 1.00 0.00 C ATOM 1437 CD2 PHE A 87 -8.748 -4.238 -5.018 1.00 0.00 C ATOM 1438 CE1 PHE A 87 -7.200 -4.881 -7.199 1.00 0.00 C ATOM 1439 CE2 PHE A 87 -7.910 -5.384 -5.009 1.00 0.00 C ATOM 1440 CZ PHE A 87 -7.154 -5.681 -6.100 1.00 0.00 C ATOM 0 H PHE A 87 -10.725 -0.157 -6.945 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.502 -2.851 -8.048 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -9.080 -1.316 -6.279 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.163 -2.099 -5.146 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.075 -3.100 -8.080 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -9.349 -4.002 -4.152 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.599 -5.117 -8.065 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.873 -6.019 -4.137 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.517 -6.553 -6.094 1.00 0.00 H new ATOM 1450 N HIS A 88 -12.709 -2.041 -5.750 1.00 0.00 N ATOM 1451 CA HIS A 88 -13.934 -2.478 -5.100 1.00 0.00 C ATOM 1452 C HIS A 88 -14.957 -2.890 -6.160 1.00 0.00 C ATOM 1453 O HIS A 88 -15.640 -3.900 -6.007 1.00 0.00 O ATOM 1454 CB HIS A 88 -14.460 -1.398 -4.153 1.00 0.00 C ATOM 1455 CG HIS A 88 -15.452 -1.907 -3.134 1.00 0.00 C ATOM 1456 ND1 HIS A 88 -15.336 -3.145 -2.528 1.00 0.00 N ATOM 1457 CD2 HIS A 88 -16.577 -1.331 -2.620 1.00 0.00 C ATOM 1458 CE1 HIS A 88 -16.351 -3.298 -1.691 1.00 0.00 C ATOM 1459 NE2 HIS A 88 -17.119 -2.173 -1.749 1.00 0.00 N ATOM 0 H HIS A 88 -12.410 -1.097 -5.505 1.00 0.00 H new ATOM 0 HA HIS A 88 -13.732 -3.353 -4.482 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -13.617 -0.945 -3.630 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -14.931 -0.610 -4.742 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -16.961 -0.355 -2.878 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -16.538 -4.162 -1.071 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -17.970 -2.006 -1.212 1.00 0.00 H new ATOM 1467 N LEU A 89 -15.033 -2.084 -7.209 1.00 0.00 N ATOM 1468 CA LEU A 89 -15.961 -2.352 -8.293 1.00 0.00 C ATOM 1469 C LEU A 89 -15.783 -3.795 -8.768 1.00 0.00 C ATOM 1470 O LEU A 89 -16.681 -4.620 -8.613 1.00 0.00 O ATOM 1471 CB LEU A 89 -15.800 -1.313 -9.406 1.00 0.00 C ATOM 1472 CG LEU A 89 -16.247 0.109 -9.065 1.00 0.00 C ATOM 1473 CD1 LEU A 89 -15.796 1.099 -10.141 1.00 0.00 C ATOM 1474 CD2 LEU A 89 -17.757 0.169 -8.827 1.00 0.00 C ATOM 0 H LEU A 89 -14.466 -1.245 -7.331 1.00 0.00 H new ATOM 0 HA LEU A 89 -16.990 -2.256 -7.945 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -14.750 -1.282 -9.698 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -16.363 -1.651 -10.276 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.764 0.404 -8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -16.127 2.103 -9.874 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.709 1.084 -10.217 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -16.231 0.817 -11.100 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -18.047 1.192 -8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -18.280 -0.154 -9.727 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -18.021 -0.488 -7.998 1.00 0.00 H new ATOM 1486 N GLU A 90 -14.616 -4.056 -9.338 1.00 0.00 N ATOM 1487 CA GLU A 90 -14.306 -5.385 -9.837 1.00 0.00 C ATOM 1488 C GLU A 90 -13.762 -6.262 -8.708 1.00 0.00 C ATOM 1489 O GLU A 90 -12.572 -6.572 -8.675 1.00 0.00 O ATOM 1490 CB GLU A 90 -13.319 -5.318 -11.003 1.00 0.00 C ATOM 1491 CG GLU A 90 -13.613 -6.408 -12.036 1.00 0.00 C ATOM 1492 CD GLU A 90 -12.318 -6.991 -12.603 1.00 0.00 C ATOM 1493 OE1 GLU A 90 -11.469 -6.177 -13.030 1.00 0.00 O ATOM 1494 OE2 GLU A 90 -12.204 -8.234 -12.597 1.00 0.00 O ATOM 0 H GLU A 90 -13.873 -3.369 -9.466 1.00 0.00 H new ATOM 0 HA GLU A 90 -15.226 -5.835 -10.210 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.377 -4.338 -11.477 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.301 -5.432 -10.629 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.202 -7.201 -11.575 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.214 -5.994 -12.845 1.00 0.00 H new