USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 602 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00851 USER MOD Single : A 13 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.21) USER MOD Single : A 17 SER OG : rot -171:sc= -1.48! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.25 K(o=-1.3,f=-0.42) USER MOD Single : A 40 GLN : amide:sc= -0.389 K(o=-0.39,f=-3.2!) USER MOD Single : A 44 HIS : no HD1:sc= -0.0207 X(o=-0.021,f=-0.31) USER MOD Single : A 45 SER OG : rot 166:sc= 0.402 USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 0.273 (180deg=0.265) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.838 X(o=-0.84,f=-0.45) USER MOD Single : A 56 HIS : no HD1:sc= -0.614 K(o=-0.61,f=0.1) USER MOD Single : A 59 TYR OH : rot 80:sc= -0.0305 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -3.43 X(o=-3.4,f=-3.2) USER MOD Single : A 73 THR OG1 : rot -96:sc= -0.0517 USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.13) USER MOD Single : A 79 GLN : amide:sc= -0.506 K(o=-0.51,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 71:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 8 9.689 -3.555 21.077 1.00 0.00 N ATOM 2 CA TYR A 8 9.508 -3.402 19.607 1.00 0.00 C ATOM 3 C TYR A 8 9.766 -4.741 18.918 1.00 0.00 C ATOM 4 O TYR A 8 10.874 -5.046 18.527 1.00 0.00 O ATOM 5 CB TYR A 8 10.483 -2.356 19.061 1.00 0.00 C ATOM 6 CG TYR A 8 10.292 -2.232 17.566 1.00 0.00 C ATOM 7 CD1 TYR A 8 11.008 -3.063 16.693 1.00 0.00 C ATOM 8 CD2 TYR A 8 9.392 -1.291 17.055 1.00 0.00 C ATOM 9 CE1 TYR A 8 10.821 -2.950 15.309 1.00 0.00 C ATOM 10 CE2 TYR A 8 9.208 -1.177 15.671 1.00 0.00 C ATOM 11 CZ TYR A 8 9.921 -2.007 14.798 1.00 0.00 C ATOM 12 OH TYR A 8 9.736 -1.896 13.434 1.00 0.00 O ATOM 0 HA TYR A 8 8.487 -3.076 19.409 1.00 0.00 H new ATOM 0 HB2 TYR A 8 10.310 -1.394 19.543 1.00 0.00 H new ATOM 0 HB3 TYR A 8 11.509 -2.646 19.286 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.703 -3.790 17.087 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.839 -0.652 17.728 1.00 0.00 H new ATOM 0 HE1 TYR A 8 11.371 -3.591 14.636 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.515 -0.448 15.277 1.00 0.00 H new ATOM 0 HH TYR A 8 9.077 -1.195 13.249 1.00 0.00 H new ATOM 22 N VAL A 9 8.749 -5.539 18.756 1.00 0.00 N ATOM 23 CA VAL A 9 8.939 -6.850 18.080 1.00 0.00 C ATOM 24 C VAL A 9 8.386 -6.754 16.661 1.00 0.00 C ATOM 25 O VAL A 9 7.238 -6.414 16.454 1.00 0.00 O ATOM 26 CB VAL A 9 8.197 -7.944 18.850 1.00 0.00 C ATOM 27 CG1 VAL A 9 8.651 -9.316 18.345 1.00 0.00 C ATOM 28 CG2 VAL A 9 8.512 -7.822 20.342 1.00 0.00 C ATOM 0 H VAL A 9 7.796 -5.340 19.062 1.00 0.00 H new ATOM 0 HA VAL A 9 10.000 -7.099 18.050 1.00 0.00 H new ATOM 0 HB VAL A 9 7.124 -7.834 18.696 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.124 -10.098 18.892 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.429 -9.404 17.282 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.724 -9.424 18.501 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.983 -8.602 20.890 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.585 -7.933 20.498 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.192 -6.844 20.703 1.00 0.00 H new ATOM 38 N ALA A 10 9.192 -7.039 15.679 1.00 0.00 N ATOM 39 CA ALA A 10 8.705 -6.948 14.276 1.00 0.00 C ATOM 40 C ALA A 10 7.373 -7.692 14.152 1.00 0.00 C ATOM 41 O ALA A 10 6.958 -8.376 15.067 1.00 0.00 O ATOM 42 CB ALA A 10 9.740 -7.567 13.339 1.00 0.00 C ATOM 0 H ALA A 10 10.164 -7.330 15.786 1.00 0.00 H new ATOM 0 HA ALA A 10 8.557 -5.903 14.004 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.385 -7.501 12.311 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.683 -7.029 13.432 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.891 -8.613 13.604 1.00 0.00 H new ATOM 48 N PRO A 11 6.735 -7.522 13.022 1.00 0.00 N ATOM 49 CA PRO A 11 5.431 -8.147 12.744 1.00 0.00 C ATOM 50 C PRO A 11 5.603 -9.627 12.393 1.00 0.00 C ATOM 51 O PRO A 11 6.509 -10.005 11.678 1.00 0.00 O ATOM 52 CB PRO A 11 4.904 -7.359 11.542 1.00 0.00 C ATOM 53 CG PRO A 11 6.140 -6.726 10.858 1.00 0.00 C ATOM 54 CD PRO A 11 7.257 -6.689 11.918 1.00 0.00 C ATOM 0 HA PRO A 11 4.755 -8.118 13.598 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.371 -8.013 10.852 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.200 -6.590 11.860 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.447 -7.313 9.992 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.913 -5.722 10.499 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.192 -7.088 11.525 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.459 -5.670 12.249 1.00 0.00 H new ATOM 62 N THR A 12 4.734 -10.464 12.889 1.00 0.00 N ATOM 63 CA THR A 12 4.840 -11.918 12.582 1.00 0.00 C ATOM 64 C THR A 12 3.676 -12.336 11.681 1.00 0.00 C ATOM 65 O THR A 12 3.557 -13.483 11.297 1.00 0.00 O ATOM 66 CB THR A 12 4.789 -12.721 13.883 1.00 0.00 C ATOM 67 OG1 THR A 12 4.463 -11.854 14.959 1.00 0.00 O ATOM 68 CG2 THR A 12 6.151 -13.368 14.136 1.00 0.00 C ATOM 0 H THR A 12 3.955 -10.204 13.494 1.00 0.00 H new ATOM 0 HA THR A 12 5.784 -12.112 12.072 1.00 0.00 H new ATOM 0 HB THR A 12 4.030 -13.499 13.803 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.428 -12.367 15.793 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.115 -13.940 15.063 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.397 -14.033 13.308 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.913 -12.593 14.217 1.00 0.00 H new ATOM 76 N ASN A 13 2.822 -11.412 11.328 1.00 0.00 N ATOM 77 CA ASN A 13 1.678 -11.751 10.441 1.00 0.00 C ATOM 78 C ASN A 13 1.564 -10.648 9.399 1.00 0.00 C ATOM 79 O ASN A 13 1.587 -9.478 9.726 1.00 0.00 O ATOM 80 CB ASN A 13 0.385 -11.827 11.255 1.00 0.00 C ATOM 81 CG ASN A 13 0.685 -12.397 12.644 1.00 0.00 C ATOM 82 OD1 ASN A 13 0.646 -13.595 12.842 1.00 0.00 O ATOM 83 ND2 ASN A 13 0.983 -11.584 13.620 1.00 0.00 N ATOM 0 H ASN A 13 2.870 -10.435 11.618 1.00 0.00 H new ATOM 0 HA ASN A 13 1.839 -12.718 9.966 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.058 -10.835 11.346 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.343 -12.456 10.742 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.183 -11.954 14.549 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.016 -10.578 13.454 1.00 0.00 H new ATOM 90 N ALA A 14 1.471 -10.989 8.151 1.00 0.00 N ATOM 91 CA ALA A 14 1.394 -9.919 7.128 1.00 0.00 C ATOM 92 C ALA A 14 0.340 -8.894 7.534 1.00 0.00 C ATOM 93 O ALA A 14 0.496 -7.715 7.292 1.00 0.00 O ATOM 94 CB ALA A 14 1.053 -10.499 5.768 1.00 0.00 C ATOM 0 H ALA A 14 1.445 -11.946 7.798 1.00 0.00 H new ATOM 0 HA ALA A 14 2.367 -9.432 7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.002 -9.696 5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.823 -11.212 5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.089 -11.006 5.820 1.00 0.00 H new ATOM 100 N VAL A 15 -0.728 -9.325 8.158 1.00 0.00 N ATOM 101 CA VAL A 15 -1.768 -8.348 8.585 1.00 0.00 C ATOM 102 C VAL A 15 -1.062 -7.156 9.217 1.00 0.00 C ATOM 103 O VAL A 15 -1.232 -6.023 8.803 1.00 0.00 O ATOM 104 CB VAL A 15 -2.707 -8.985 9.600 1.00 0.00 C ATOM 105 CG1 VAL A 15 -3.575 -7.896 10.236 1.00 0.00 C ATOM 106 CG2 VAL A 15 -3.601 -9.994 8.879 1.00 0.00 C ATOM 0 H VAL A 15 -0.921 -10.300 8.387 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.358 -8.032 7.724 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.132 -9.490 10.377 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.249 -8.347 10.964 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.937 -7.167 10.736 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.158 -7.397 9.462 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.279 -10.457 9.596 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.180 -9.483 8.110 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.982 -10.762 8.416 1.00 0.00 H new ATOM 116 N GLU A 16 -0.242 -7.403 10.200 1.00 0.00 N ATOM 117 CA GLU A 16 0.497 -6.286 10.828 1.00 0.00 C ATOM 118 C GLU A 16 1.540 -5.811 9.820 1.00 0.00 C ATOM 119 O GLU A 16 1.886 -4.650 9.773 1.00 0.00 O ATOM 120 CB GLU A 16 1.166 -6.749 12.129 1.00 0.00 C ATOM 121 CG GLU A 16 0.357 -7.892 12.747 1.00 0.00 C ATOM 122 CD GLU A 16 0.509 -7.859 14.269 1.00 0.00 C ATOM 123 OE1 GLU A 16 1.507 -7.333 14.732 1.00 0.00 O ATOM 124 OE2 GLU A 16 -0.375 -8.360 14.944 1.00 0.00 O ATOM 0 H GLU A 16 -0.056 -8.327 10.590 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.180 -5.472 11.087 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.185 -7.079 11.928 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.233 -5.917 12.831 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.694 -7.797 12.474 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.703 -8.849 12.357 1.00 0.00 H new ATOM 131 N SER A 17 2.025 -6.703 8.987 1.00 0.00 N ATOM 132 CA SER A 17 3.021 -6.280 7.962 1.00 0.00 C ATOM 133 C SER A 17 2.427 -5.145 7.127 1.00 0.00 C ATOM 134 O SER A 17 3.044 -4.116 6.923 1.00 0.00 O ATOM 135 CB SER A 17 3.370 -7.434 7.033 1.00 0.00 C ATOM 136 OG SER A 17 3.980 -8.474 7.788 1.00 0.00 O ATOM 0 H SER A 17 1.776 -7.692 8.975 1.00 0.00 H new ATOM 0 HA SER A 17 3.926 -5.952 8.474 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.471 -7.805 6.541 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.046 -7.093 6.248 1.00 0.00 H new ATOM 0 HG SER A 17 4.334 -9.156 7.179 1.00 0.00 H new ATOM 142 N LYS A 18 1.227 -5.326 6.638 1.00 0.00 N ATOM 143 CA LYS A 18 0.593 -4.263 5.810 1.00 0.00 C ATOM 144 C LYS A 18 0.226 -3.080 6.699 1.00 0.00 C ATOM 145 O LYS A 18 0.648 -1.966 6.466 1.00 0.00 O ATOM 146 CB LYS A 18 -0.666 -4.811 5.139 1.00 0.00 C ATOM 147 CG LYS A 18 -1.317 -3.710 4.299 1.00 0.00 C ATOM 148 CD LYS A 18 -0.253 -3.002 3.456 1.00 0.00 C ATOM 149 CE LYS A 18 -0.868 -2.570 2.123 1.00 0.00 C ATOM 150 NZ LYS A 18 -0.284 -3.377 1.014 1.00 0.00 N ATOM 0 H LYS A 18 0.662 -6.163 6.777 1.00 0.00 H new ATOM 0 HA LYS A 18 1.294 -3.938 5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.413 -5.663 4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.366 -5.170 5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.081 -4.139 3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.816 -2.991 4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.132 -2.133 3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.591 -3.669 3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.950 -2.702 2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.681 -1.510 1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.704 -3.080 0.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.745 -3.230 0.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.485 -4.385 1.175 1.00 0.00 H new ATOM 164 N LEU A 19 -0.549 -3.308 7.725 1.00 0.00 N ATOM 165 CA LEU A 19 -0.916 -2.180 8.621 1.00 0.00 C ATOM 166 C LEU A 19 0.368 -1.452 9.010 1.00 0.00 C ATOM 167 O LEU A 19 0.435 -0.243 8.997 1.00 0.00 O ATOM 168 CB LEU A 19 -1.619 -2.714 9.873 1.00 0.00 C ATOM 169 CG LEU A 19 -3.135 -2.615 9.694 1.00 0.00 C ATOM 170 CD1 LEU A 19 -3.532 -1.151 9.517 1.00 0.00 C ATOM 171 CD2 LEU A 19 -3.561 -3.411 8.460 1.00 0.00 C ATOM 0 H LEU A 19 -0.939 -4.216 7.978 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.597 -1.497 8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.331 -3.750 10.050 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.308 -2.143 10.748 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.630 -3.023 10.575 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.612 -1.080 9.389 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.233 -0.584 10.398 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.035 -0.743 8.637 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.641 -3.338 8.335 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.066 -3.006 7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.280 -4.456 8.586 1.00 0.00 H new ATOM 183 N ALA A 20 1.402 -2.182 9.329 1.00 0.00 N ATOM 184 CA ALA A 20 2.684 -1.520 9.685 1.00 0.00 C ATOM 185 C ALA A 20 3.089 -0.622 8.515 1.00 0.00 C ATOM 186 O ALA A 20 3.402 0.539 8.687 1.00 0.00 O ATOM 187 CB ALA A 20 3.764 -2.576 9.922 1.00 0.00 C ATOM 0 H ALA A 20 1.413 -3.202 9.358 1.00 0.00 H new ATOM 0 HA ALA A 20 2.568 -0.932 10.595 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.702 -2.085 10.183 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.459 -3.232 10.737 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.902 -3.165 9.015 1.00 0.00 H new ATOM 193 N GLU A 21 3.066 -1.151 7.317 1.00 0.00 N ATOM 194 CA GLU A 21 3.429 -0.320 6.134 1.00 0.00 C ATOM 195 C GLU A 21 2.452 0.854 6.043 1.00 0.00 C ATOM 196 O GLU A 21 2.839 1.999 6.152 1.00 0.00 O ATOM 197 CB GLU A 21 3.343 -1.162 4.859 1.00 0.00 C ATOM 198 CG GLU A 21 4.697 -1.152 4.145 1.00 0.00 C ATOM 199 CD GLU A 21 4.804 -2.378 3.237 1.00 0.00 C ATOM 200 OE1 GLU A 21 3.771 -2.913 2.870 1.00 0.00 O ATOM 201 OE2 GLU A 21 5.920 -2.761 2.920 1.00 0.00 O ATOM 0 H GLU A 21 2.813 -2.117 7.110 1.00 0.00 H new ATOM 0 HA GLU A 21 4.449 0.050 6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.058 -2.185 5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.570 -0.765 4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.803 -0.240 3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.506 -1.156 4.876 1.00 0.00 H new ATOM 208 N ILE A 22 1.183 0.581 5.858 1.00 0.00 N ATOM 209 CA ILE A 22 0.195 1.699 5.782 1.00 0.00 C ATOM 210 C ILE A 22 0.493 2.667 6.928 1.00 0.00 C ATOM 211 O ILE A 22 0.681 3.851 6.729 1.00 0.00 O ATOM 212 CB ILE A 22 -1.251 1.162 5.839 1.00 0.00 C ATOM 213 CG1 ILE A 22 -2.140 2.074 6.686 1.00 0.00 C ATOM 214 CG2 ILE A 22 -1.287 -0.249 6.380 1.00 0.00 C ATOM 215 CD1 ILE A 22 -2.256 3.429 5.986 1.00 0.00 C ATOM 0 H ILE A 22 0.793 -0.356 5.758 1.00 0.00 H new ATOM 0 HA ILE A 22 0.287 2.225 4.832 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.638 1.150 4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.127 1.628 6.814 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.715 2.198 7.682 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.318 -0.601 6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.699 -0.901 5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.870 -0.263 7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.887 4.091 6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.265 3.870 5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.698 3.292 4.999 1.00 0.00 H new ATOM 227 N TRP A 23 0.573 2.156 8.116 1.00 0.00 N ATOM 228 CA TRP A 23 0.903 3.007 9.292 1.00 0.00 C ATOM 229 C TRP A 23 1.993 4.016 8.931 1.00 0.00 C ATOM 230 O TRP A 23 1.784 5.211 8.922 1.00 0.00 O ATOM 231 CB TRP A 23 1.488 2.118 10.373 1.00 0.00 C ATOM 232 CG TRP A 23 0.499 1.802 11.429 1.00 0.00 C ATOM 233 CD1 TRP A 23 -0.595 1.029 11.280 1.00 0.00 C ATOM 234 CD2 TRP A 23 0.531 2.219 12.816 1.00 0.00 C ATOM 235 NE1 TRP A 23 -1.228 0.924 12.503 1.00 0.00 N ATOM 236 CE2 TRP A 23 -0.566 1.646 13.483 1.00 0.00 C ATOM 237 CE3 TRP A 23 1.412 3.029 13.550 1.00 0.00 C ATOM 238 CZ2 TRP A 23 -0.779 1.865 14.842 1.00 0.00 C ATOM 239 CZ3 TRP A 23 1.195 3.259 14.916 1.00 0.00 C ATOM 240 CH2 TRP A 23 0.103 2.670 15.562 1.00 0.00 C ATOM 0 H TRP A 23 0.422 1.170 8.330 1.00 0.00 H new ATOM 0 HA TRP A 23 -0.002 3.521 9.616 1.00 0.00 H new ATOM 0 HB2 TRP A 23 1.848 1.192 9.925 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.351 2.612 10.821 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -0.922 0.569 10.359 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.077 0.382 12.665 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.263 3.478 13.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.625 1.412 15.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.872 3.892 15.470 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.057 2.838 16.617 1.00 0.00 H new ATOM 251 N GLU A 24 3.175 3.525 8.674 1.00 0.00 N ATOM 252 CA GLU A 24 4.311 4.432 8.360 1.00 0.00 C ATOM 253 C GLU A 24 4.020 5.204 7.075 1.00 0.00 C ATOM 254 O GLU A 24 4.506 6.298 6.868 1.00 0.00 O ATOM 255 CB GLU A 24 5.592 3.611 8.180 1.00 0.00 C ATOM 256 CG GLU A 24 5.484 2.752 6.922 1.00 0.00 C ATOM 257 CD GLU A 24 6.829 2.077 6.647 1.00 0.00 C ATOM 258 OE1 GLU A 24 7.846 2.695 6.918 1.00 0.00 O ATOM 259 OE2 GLU A 24 6.820 0.953 6.172 1.00 0.00 O ATOM 0 H GLU A 24 3.402 2.530 8.668 1.00 0.00 H new ATOM 0 HA GLU A 24 4.441 5.136 9.182 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.453 4.275 8.105 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.754 2.977 9.052 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.706 1.999 7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.194 3.369 6.071 1.00 0.00 H new ATOM 266 N ARG A 25 3.242 4.630 6.206 1.00 0.00 N ATOM 267 CA ARG A 25 2.921 5.306 4.918 1.00 0.00 C ATOM 268 C ARG A 25 1.951 6.471 5.150 1.00 0.00 C ATOM 269 O ARG A 25 2.285 7.617 4.932 1.00 0.00 O ATOM 270 CB ARG A 25 2.288 4.287 3.972 1.00 0.00 C ATOM 271 CG ARG A 25 1.681 5.001 2.766 1.00 0.00 C ATOM 272 CD ARG A 25 1.245 3.960 1.736 1.00 0.00 C ATOM 273 NE ARG A 25 2.445 3.412 1.044 1.00 0.00 N ATOM 274 CZ ARG A 25 2.319 2.841 -0.121 1.00 0.00 C ATOM 275 NH1 ARG A 25 2.079 3.565 -1.179 1.00 0.00 N ATOM 276 NH2 ARG A 25 2.432 1.547 -0.228 1.00 0.00 N ATOM 0 H ARG A 25 2.810 3.714 6.331 1.00 0.00 H new ATOM 0 HA ARG A 25 3.837 5.704 4.481 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.039 3.570 3.641 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.517 3.722 4.496 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.827 5.604 3.076 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.409 5.683 2.327 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.696 3.156 2.226 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.569 4.412 1.011 1.00 0.00 H new ATOM 0 HE ARG A 25 3.364 3.483 1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.990 4.578 -1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.980 3.119 -2.091 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.619 0.981 0.600 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.333 1.100 -1.140 1.00 0.00 H new ATOM 290 N VAL A 26 0.750 6.188 5.577 1.00 0.00 N ATOM 291 CA VAL A 26 -0.238 7.285 5.804 1.00 0.00 C ATOM 292 C VAL A 26 0.172 8.128 7.009 1.00 0.00 C ATOM 293 O VAL A 26 -0.110 9.308 7.077 1.00 0.00 O ATOM 294 CB VAL A 26 -1.613 6.685 6.071 1.00 0.00 C ATOM 295 CG1 VAL A 26 -2.588 7.801 6.444 1.00 0.00 C ATOM 296 CG2 VAL A 26 -2.108 5.970 4.813 1.00 0.00 C ATOM 0 H VAL A 26 0.410 5.248 5.778 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.268 7.915 4.915 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.548 5.970 6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.573 7.375 6.636 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.233 8.310 7.340 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.655 8.515 5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.092 5.540 5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.176 6.684 3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.410 5.176 4.547 1.00 0.00 H new ATOM 306 N LEU A 27 0.816 7.534 7.971 1.00 0.00 N ATOM 307 CA LEU A 27 1.218 8.308 9.175 1.00 0.00 C ATOM 308 C LEU A 27 2.580 8.980 8.938 1.00 0.00 C ATOM 309 O LEU A 27 2.918 9.954 9.580 1.00 0.00 O ATOM 310 CB LEU A 27 1.271 7.363 10.375 1.00 0.00 C ATOM 311 CG LEU A 27 0.009 6.485 10.371 1.00 0.00 C ATOM 312 CD1 LEU A 27 0.082 5.461 11.504 1.00 0.00 C ATOM 313 CD2 LEU A 27 -1.234 7.363 10.558 1.00 0.00 C ATOM 0 H LEU A 27 1.081 6.549 7.976 1.00 0.00 H new ATOM 0 HA LEU A 27 0.490 9.094 9.375 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.164 6.740 10.326 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.331 7.933 11.302 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.055 5.962 9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.816 4.843 11.494 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.959 4.829 11.367 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.155 5.980 12.460 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.126 6.736 10.554 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.166 7.892 11.508 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.295 8.085 9.744 1.00 0.00 H new ATOM 325 N GLY A 28 3.348 8.490 7.999 1.00 0.00 N ATOM 326 CA GLY A 28 4.667 9.125 7.701 1.00 0.00 C ATOM 327 C GLY A 28 5.719 8.726 8.740 1.00 0.00 C ATOM 328 O GLY A 28 6.256 9.558 9.442 1.00 0.00 O ATOM 0 H GLY A 28 3.119 7.678 7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.001 8.827 6.707 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.557 10.209 7.688 1.00 0.00 H new ATOM 332 N VAL A 29 6.032 7.463 8.835 1.00 0.00 N ATOM 333 CA VAL A 29 7.067 7.026 9.817 1.00 0.00 C ATOM 334 C VAL A 29 7.959 5.977 9.161 1.00 0.00 C ATOM 335 O VAL A 29 7.911 5.770 7.965 1.00 0.00 O ATOM 336 CB VAL A 29 6.408 6.409 11.053 1.00 0.00 C ATOM 337 CG1 VAL A 29 7.146 6.871 12.311 1.00 0.00 C ATOM 338 CG2 VAL A 29 4.948 6.848 11.140 1.00 0.00 C ATOM 0 H VAL A 29 5.618 6.716 8.277 1.00 0.00 H new ATOM 0 HA VAL A 29 7.653 7.893 10.122 1.00 0.00 H new ATOM 0 HB VAL A 29 6.455 5.323 10.975 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.676 6.431 13.191 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.187 6.554 12.259 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.101 7.958 12.381 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.487 6.404 12.022 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.898 7.934 11.212 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.415 6.519 10.248 1.00 0.00 H new ATOM 348 N SER A 30 8.764 5.301 9.931 1.00 0.00 N ATOM 349 CA SER A 30 9.636 4.257 9.339 1.00 0.00 C ATOM 350 C SER A 30 9.787 3.102 10.331 1.00 0.00 C ATOM 351 O SER A 30 10.840 2.890 10.898 1.00 0.00 O ATOM 352 CB SER A 30 11.011 4.847 9.020 1.00 0.00 C ATOM 353 OG SER A 30 11.421 4.418 7.728 1.00 0.00 O ATOM 0 H SER A 30 8.854 5.427 10.939 1.00 0.00 H new ATOM 0 HA SER A 30 9.186 3.889 8.417 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.969 5.936 9.058 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.737 4.530 9.768 1.00 0.00 H new ATOM 0 HG SER A 30 12.301 4.797 7.522 1.00 0.00 H new ATOM 359 N GLY A 31 8.739 2.355 10.543 1.00 0.00 N ATOM 360 CA GLY A 31 8.815 1.215 11.499 1.00 0.00 C ATOM 361 C GLY A 31 7.615 1.266 12.444 1.00 0.00 C ATOM 362 O GLY A 31 6.697 0.476 12.341 1.00 0.00 O ATOM 0 H GLY A 31 7.832 2.485 10.095 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.824 0.270 10.956 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.743 1.265 12.069 1.00 0.00 H new ATOM 366 N ILE A 32 7.612 2.192 13.366 1.00 0.00 N ATOM 367 CA ILE A 32 6.470 2.291 14.316 1.00 0.00 C ATOM 368 C ILE A 32 6.373 0.996 15.127 1.00 0.00 C ATOM 369 O ILE A 32 6.444 -0.088 14.584 1.00 0.00 O ATOM 370 CB ILE A 32 5.174 2.512 13.531 1.00 0.00 C ATOM 371 CG1 ILE A 32 5.291 3.787 12.699 1.00 0.00 C ATOM 372 CG2 ILE A 32 4.010 2.656 14.504 1.00 0.00 C ATOM 373 CD1 ILE A 32 4.690 3.546 11.310 1.00 0.00 C ATOM 0 H ILE A 32 8.351 2.882 13.501 1.00 0.00 H new ATOM 0 HA ILE A 32 6.626 3.130 14.994 1.00 0.00 H new ATOM 0 HB ILE A 32 5.001 1.660 12.873 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.771 4.607 13.195 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.337 4.081 12.609 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.087 2.813 13.946 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.922 1.749 15.103 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.187 3.508 15.160 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.773 4.455 10.715 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.229 2.738 10.815 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.640 3.273 11.410 1.00 0.00 H new ATOM 385 N GLY A 33 6.214 1.097 16.422 1.00 0.00 N ATOM 386 CA GLY A 33 6.116 -0.134 17.261 1.00 0.00 C ATOM 387 C GLY A 33 5.040 -1.056 16.688 1.00 0.00 C ATOM 388 O GLY A 33 4.518 -0.822 15.623 1.00 0.00 O ATOM 0 H GLY A 33 6.148 1.977 16.933 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.077 -0.649 17.284 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.872 0.132 18.289 1.00 0.00 H new ATOM 392 N ILE A 34 4.702 -2.102 17.388 1.00 0.00 N ATOM 393 CA ILE A 34 3.657 -3.035 16.881 1.00 0.00 C ATOM 394 C ILE A 34 2.372 -2.832 17.681 1.00 0.00 C ATOM 395 O ILE A 34 1.421 -3.574 17.536 1.00 0.00 O ATOM 396 CB ILE A 34 4.143 -4.487 17.020 1.00 0.00 C ATOM 397 CG1 ILE A 34 3.316 -5.385 16.099 1.00 0.00 C ATOM 398 CG2 ILE A 34 3.981 -4.966 18.467 1.00 0.00 C ATOM 399 CD1 ILE A 34 3.719 -6.847 16.306 1.00 0.00 C ATOM 0 H ILE A 34 5.105 -2.352 18.291 1.00 0.00 H new ATOM 0 HA ILE A 34 3.463 -2.831 15.828 1.00 0.00 H new ATOM 0 HB ILE A 34 5.197 -4.536 16.745 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.254 -5.257 16.308 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.473 -5.098 15.059 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.329 -5.996 18.551 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.568 -4.330 19.129 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.930 -4.914 18.752 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.128 -7.484 15.648 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.777 -6.969 16.074 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.540 -7.131 17.343 1.00 0.00 H new ATOM 411 N LEU A 35 2.320 -1.824 18.508 1.00 0.00 N ATOM 412 CA LEU A 35 1.077 -1.585 19.280 1.00 0.00 C ATOM 413 C LEU A 35 1.014 -0.116 19.727 1.00 0.00 C ATOM 414 O LEU A 35 0.771 0.179 20.881 1.00 0.00 O ATOM 415 CB LEU A 35 1.030 -2.506 20.501 1.00 0.00 C ATOM 416 CG LEU A 35 -0.369 -2.477 21.116 1.00 0.00 C ATOM 417 CD1 LEU A 35 -1.360 -3.128 20.152 1.00 0.00 C ATOM 418 CD2 LEU A 35 -0.361 -3.251 22.434 1.00 0.00 C ATOM 0 H LEU A 35 3.078 -1.164 18.679 1.00 0.00 H new ATOM 0 HA LEU A 35 0.219 -1.801 18.644 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.289 -3.524 20.210 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.768 -2.187 21.237 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.664 -1.444 21.302 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.359 -3.108 20.589 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.365 -2.580 19.210 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.064 -4.161 19.969 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.358 -3.231 22.874 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.067 -4.284 22.248 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.348 -2.791 23.122 1.00 0.00 H new ATOM 430 N ASP A 36 1.237 0.809 18.823 1.00 0.00 N ATOM 431 CA ASP A 36 1.197 2.258 19.198 1.00 0.00 C ATOM 432 C ASP A 36 -0.251 2.712 19.411 1.00 0.00 C ATOM 433 O ASP A 36 -1.156 1.912 19.514 1.00 0.00 O ATOM 434 CB ASP A 36 1.811 3.092 18.071 1.00 0.00 C ATOM 435 CG ASP A 36 3.266 3.422 18.412 1.00 0.00 C ATOM 436 OD1 ASP A 36 3.646 3.229 19.555 1.00 0.00 O ATOM 437 OD2 ASP A 36 3.975 3.865 17.524 1.00 0.00 O ATOM 0 H ASP A 36 1.445 0.623 17.842 1.00 0.00 H new ATOM 0 HA ASP A 36 1.760 2.396 20.121 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.763 2.543 17.131 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.242 4.011 17.933 1.00 0.00 H new ATOM 442 N ASN A 37 -0.469 4.003 19.473 1.00 0.00 N ATOM 443 CA ASN A 37 -1.852 4.529 19.673 1.00 0.00 C ATOM 444 C ASN A 37 -2.115 5.646 18.660 1.00 0.00 C ATOM 445 O ASN A 37 -2.832 6.589 18.928 1.00 0.00 O ATOM 446 CB ASN A 37 -1.984 5.087 21.092 1.00 0.00 C ATOM 447 CG ASN A 37 -3.133 4.385 21.818 1.00 0.00 C ATOM 448 OD1 ASN A 37 -2.911 3.636 22.748 1.00 0.00 O ATOM 449 ND2 ASN A 37 -4.361 4.598 21.431 1.00 0.00 N ATOM 0 H ASN A 37 0.256 4.716 19.393 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.575 3.726 19.531 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.052 4.941 21.639 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.167 6.161 21.055 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.134 4.136 21.910 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.548 5.227 20.650 1.00 0.00 H new ATOM 456 N PHE A 38 -1.544 5.525 17.495 1.00 0.00 N ATOM 457 CA PHE A 38 -1.732 6.550 16.416 1.00 0.00 C ATOM 458 C PHE A 38 -1.200 7.919 16.852 1.00 0.00 C ATOM 459 O PHE A 38 -0.434 8.540 16.141 1.00 0.00 O ATOM 460 CB PHE A 38 -3.221 6.700 16.081 1.00 0.00 C ATOM 461 CG PHE A 38 -3.786 5.422 15.503 1.00 0.00 C ATOM 462 CD1 PHE A 38 -3.021 4.250 15.459 1.00 0.00 C ATOM 463 CD2 PHE A 38 -5.097 5.410 15.009 1.00 0.00 C ATOM 464 CE1 PHE A 38 -3.567 3.080 14.928 1.00 0.00 C ATOM 465 CE2 PHE A 38 -5.630 4.237 14.481 1.00 0.00 C ATOM 466 CZ PHE A 38 -4.864 3.070 14.442 1.00 0.00 C ATOM 0 H PHE A 38 -0.941 4.744 17.234 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.178 6.207 15.542 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.773 6.970 16.981 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.355 7.514 15.369 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.009 4.251 15.836 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.694 6.310 15.038 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.975 2.177 14.896 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.640 4.230 14.100 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.282 2.162 14.034 1.00 0.00 H new ATOM 476 N PHE A 39 -1.604 8.416 17.991 1.00 0.00 N ATOM 477 CA PHE A 39 -1.115 9.757 18.413 1.00 0.00 C ATOM 478 C PHE A 39 0.274 9.659 19.037 1.00 0.00 C ATOM 479 O PHE A 39 0.671 10.506 19.813 1.00 0.00 O ATOM 480 CB PHE A 39 -2.077 10.391 19.418 1.00 0.00 C ATOM 481 CG PHE A 39 -1.933 11.898 19.348 1.00 0.00 C ATOM 482 CD1 PHE A 39 -0.821 12.469 18.710 1.00 0.00 C ATOM 483 CD2 PHE A 39 -2.911 12.726 19.915 1.00 0.00 C ATOM 484 CE1 PHE A 39 -0.687 13.857 18.638 1.00 0.00 C ATOM 485 CE2 PHE A 39 -2.774 14.120 19.841 1.00 0.00 C ATOM 486 CZ PHE A 39 -1.660 14.682 19.201 1.00 0.00 C ATOM 0 H PHE A 39 -2.244 7.957 18.639 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.061 10.383 17.522 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.103 10.099 19.194 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.858 10.037 20.425 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.066 11.832 18.273 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.768 12.292 20.408 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.171 14.292 18.146 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.526 14.760 20.277 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.556 15.755 19.144 1.00 0.00 H new ATOM 496 N GLN A 40 1.032 8.663 18.688 1.00 0.00 N ATOM 497 CA GLN A 40 2.404 8.560 19.244 1.00 0.00 C ATOM 498 C GLN A 40 3.304 9.500 18.432 1.00 0.00 C ATOM 499 O GLN A 40 4.488 9.616 18.679 1.00 0.00 O ATOM 500 CB GLN A 40 2.903 7.104 19.101 1.00 0.00 C ATOM 501 CG GLN A 40 2.186 6.219 20.124 1.00 0.00 C ATOM 502 CD GLN A 40 2.894 6.324 21.474 1.00 0.00 C ATOM 503 OE1 GLN A 40 2.941 7.383 22.068 1.00 0.00 O ATOM 504 NE2 GLN A 40 3.452 5.264 21.991 1.00 0.00 N ATOM 0 H GLN A 40 0.763 7.919 18.045 1.00 0.00 H new ATOM 0 HA GLN A 40 2.420 8.835 20.299 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.712 6.740 18.091 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.981 7.060 19.257 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.145 6.528 20.222 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.180 5.183 19.784 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.414 4.374 21.494 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.926 5.325 22.892 1.00 0.00 H new ATOM 513 N ILE A 41 2.730 10.174 17.461 1.00 0.00 N ATOM 514 CA ILE A 41 3.505 11.118 16.609 1.00 0.00 C ATOM 515 C ILE A 41 2.634 11.499 15.408 1.00 0.00 C ATOM 516 O ILE A 41 2.955 11.192 14.277 1.00 0.00 O ATOM 517 CB ILE A 41 4.785 10.442 16.113 1.00 0.00 C ATOM 518 CG1 ILE A 41 5.493 11.360 15.111 1.00 0.00 C ATOM 519 CG2 ILE A 41 4.428 9.121 15.428 1.00 0.00 C ATOM 520 CD1 ILE A 41 6.645 12.085 15.808 1.00 0.00 C ATOM 0 H ILE A 41 1.740 10.104 17.224 1.00 0.00 H new ATOM 0 HA ILE A 41 3.776 12.004 17.183 1.00 0.00 H new ATOM 0 HB ILE A 41 5.446 10.249 16.958 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.871 10.776 14.272 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.787 12.084 14.703 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.338 8.637 15.074 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.923 8.467 16.139 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.768 9.316 14.583 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.148 12.738 15.095 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.254 12.681 16.633 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.355 11.353 16.194 1.00 0.00 H new ATOM 532 N GLY A 42 1.523 12.154 15.641 1.00 0.00 N ATOM 533 CA GLY A 42 0.635 12.532 14.503 1.00 0.00 C ATOM 534 C GLY A 42 -0.136 13.808 14.847 1.00 0.00 C ATOM 535 O GLY A 42 0.408 14.743 15.400 1.00 0.00 O ATOM 0 H GLY A 42 1.196 12.441 16.564 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.229 12.687 13.602 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.062 11.722 14.289 1.00 0.00 H new ATOM 539 N GLY A 43 -1.401 13.856 14.526 1.00 0.00 N ATOM 540 CA GLY A 43 -2.201 15.074 14.838 1.00 0.00 C ATOM 541 C GLY A 43 -3.687 14.795 14.604 1.00 0.00 C ATOM 542 O GLY A 43 -4.476 14.766 15.528 1.00 0.00 O ATOM 0 H GLY A 43 -1.914 13.106 14.062 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.037 15.372 15.873 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.875 15.904 14.212 1.00 0.00 H new ATOM 546 N HIS A 44 -4.078 14.592 13.374 1.00 0.00 N ATOM 547 CA HIS A 44 -5.517 14.321 13.086 1.00 0.00 C ATOM 548 C HIS A 44 -5.726 12.817 12.905 1.00 0.00 C ATOM 549 O HIS A 44 -4.785 12.055 12.810 1.00 0.00 O ATOM 550 CB HIS A 44 -5.940 15.041 11.799 1.00 0.00 C ATOM 551 CG HIS A 44 -5.074 16.252 11.576 1.00 0.00 C ATOM 552 ND1 HIS A 44 -3.973 16.226 10.733 1.00 0.00 N ATOM 553 CD2 HIS A 44 -5.132 17.530 12.077 1.00 0.00 C ATOM 554 CE1 HIS A 44 -3.421 17.452 10.750 1.00 0.00 C ATOM 555 NE2 HIS A 44 -4.088 18.285 11.553 1.00 0.00 N ATOM 0 H HIS A 44 -3.465 14.602 12.558 1.00 0.00 H new ATOM 0 HA HIS A 44 -6.119 14.684 13.919 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.857 14.363 10.950 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -6.986 15.340 11.867 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.875 17.893 12.772 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -2.545 17.729 10.183 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -3.877 19.265 11.742 1.00 0.00 H new ATOM 563 N SER A 45 -6.956 12.387 12.852 1.00 0.00 N ATOM 564 CA SER A 45 -7.232 10.936 12.668 1.00 0.00 C ATOM 565 C SER A 45 -7.529 10.664 11.194 1.00 0.00 C ATOM 566 O SER A 45 -7.554 9.533 10.752 1.00 0.00 O ATOM 567 CB SER A 45 -8.442 10.532 13.512 1.00 0.00 C ATOM 568 OG SER A 45 -8.015 9.702 14.583 1.00 0.00 O ATOM 0 H SER A 45 -7.783 12.979 12.928 1.00 0.00 H new ATOM 0 HA SER A 45 -6.363 10.357 12.982 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.940 11.420 13.902 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.169 10.003 12.895 1.00 0.00 H new ATOM 0 HG SER A 45 -8.734 9.625 15.244 1.00 0.00 H new ATOM 574 N LEU A 46 -7.754 11.699 10.428 1.00 0.00 N ATOM 575 CA LEU A 46 -8.050 11.508 8.980 1.00 0.00 C ATOM 576 C LEU A 46 -7.101 10.458 8.400 1.00 0.00 C ATOM 577 O LEU A 46 -7.524 9.441 7.886 1.00 0.00 O ATOM 578 CB LEU A 46 -7.859 12.834 8.241 1.00 0.00 C ATOM 579 CG LEU A 46 -9.018 13.053 7.268 1.00 0.00 C ATOM 580 CD1 LEU A 46 -9.178 11.823 6.374 1.00 0.00 C ATOM 581 CD2 LEU A 46 -10.313 13.280 8.053 1.00 0.00 C ATOM 0 H LEU A 46 -7.745 12.669 10.744 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.080 11.172 8.861 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.811 13.656 8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.913 12.827 7.699 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.808 13.927 6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.005 11.982 5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.259 11.660 5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.385 10.949 6.991 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.138 13.436 7.357 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.521 12.407 8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.204 14.159 8.689 1.00 0.00 H new ATOM 593 N LYS A 47 -5.817 10.692 8.475 1.00 0.00 N ATOM 594 CA LYS A 47 -4.862 9.694 7.920 1.00 0.00 C ATOM 595 C LYS A 47 -5.145 8.327 8.547 1.00 0.00 C ATOM 596 O LYS A 47 -5.173 7.323 7.863 1.00 0.00 O ATOM 597 CB LYS A 47 -3.407 10.109 8.187 1.00 0.00 C ATOM 598 CG LYS A 47 -3.301 10.942 9.466 1.00 0.00 C ATOM 599 CD LYS A 47 -1.823 11.203 9.768 1.00 0.00 C ATOM 600 CE LYS A 47 -1.520 10.844 11.222 1.00 0.00 C ATOM 601 NZ LYS A 47 -2.094 11.886 12.119 1.00 0.00 N ATOM 0 H LYS A 47 -5.394 11.521 8.892 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.998 9.641 6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.782 9.220 8.274 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.028 10.684 7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.833 11.886 9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.768 10.416 10.298 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.196 10.612 9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.585 12.251 9.585 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.942 9.868 11.463 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.443 10.771 11.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.859 11.661 13.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.696 12.815 11.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.128 11.911 12.006 1.00 0.00 H new ATOM 615 N ALA A 48 -5.385 8.266 9.834 1.00 0.00 N ATOM 616 CA ALA A 48 -5.694 6.941 10.443 1.00 0.00 C ATOM 617 C ALA A 48 -6.824 6.322 9.635 1.00 0.00 C ATOM 618 O ALA A 48 -6.712 5.218 9.146 1.00 0.00 O ATOM 619 CB ALA A 48 -6.139 7.098 11.892 1.00 0.00 C ATOM 0 H ALA A 48 -5.380 9.059 10.475 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.804 6.312 10.431 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.359 6.117 12.314 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.343 7.571 12.468 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.034 7.719 11.933 1.00 0.00 H new ATOM 625 N MET A 49 -7.906 7.043 9.456 1.00 0.00 N ATOM 626 CA MET A 49 -9.015 6.494 8.632 1.00 0.00 C ATOM 627 C MET A 49 -8.378 5.960 7.358 1.00 0.00 C ATOM 628 O MET A 49 -8.687 4.883 6.900 1.00 0.00 O ATOM 629 CB MET A 49 -10.026 7.601 8.279 1.00 0.00 C ATOM 630 CG MET A 49 -11.416 7.026 7.917 1.00 0.00 C ATOM 631 SD MET A 49 -11.325 5.259 7.485 1.00 0.00 S ATOM 632 CE MET A 49 -11.839 5.402 5.755 1.00 0.00 C ATOM 0 H MET A 49 -8.063 7.974 9.841 1.00 0.00 H new ATOM 0 HA MET A 49 -9.552 5.715 9.173 1.00 0.00 H new ATOM 0 HB2 MET A 49 -10.125 8.283 9.123 1.00 0.00 H new ATOM 0 HB3 MET A 49 -9.646 8.184 7.440 1.00 0.00 H new ATOM 0 HG2 MET A 49 -12.095 7.160 8.759 1.00 0.00 H new ATOM 0 HG3 MET A 49 -11.833 7.584 7.079 1.00 0.00 H new ATOM 0 HE1 MET A 49 -11.850 4.413 5.296 1.00 0.00 H new ATOM 0 HE2 MET A 49 -12.838 5.836 5.707 1.00 0.00 H new ATOM 0 HE3 MET A 49 -11.139 6.043 5.219 1.00 0.00 H new ATOM 642 N ALA A 50 -7.440 6.690 6.812 1.00 0.00 N ATOM 643 CA ALA A 50 -6.743 6.188 5.603 1.00 0.00 C ATOM 644 C ALA A 50 -6.288 4.769 5.920 1.00 0.00 C ATOM 645 O ALA A 50 -6.531 3.841 5.174 1.00 0.00 O ATOM 646 CB ALA A 50 -5.531 7.069 5.293 1.00 0.00 C ATOM 0 H ALA A 50 -7.133 7.602 7.150 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.400 6.206 4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.026 6.693 4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.861 8.093 5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.842 7.050 6.137 1.00 0.00 H new ATOM 652 N VAL A 51 -5.664 4.586 7.056 1.00 0.00 N ATOM 653 CA VAL A 51 -5.241 3.221 7.455 1.00 0.00 C ATOM 654 C VAL A 51 -6.478 2.325 7.408 1.00 0.00 C ATOM 655 O VAL A 51 -6.512 1.326 6.713 1.00 0.00 O ATOM 656 CB VAL A 51 -4.672 3.256 8.876 1.00 0.00 C ATOM 657 CG1 VAL A 51 -3.956 1.939 9.170 1.00 0.00 C ATOM 658 CG2 VAL A 51 -3.678 4.416 9.000 1.00 0.00 C ATOM 0 H VAL A 51 -5.432 5.325 7.720 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.470 2.841 6.785 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.484 3.396 9.589 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.551 1.963 10.182 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.662 1.113 9.082 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.144 1.799 8.457 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.273 4.441 10.012 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.865 4.277 8.287 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.188 5.356 8.790 1.00 0.00 H new ATOM 668 N ALA A 52 -7.514 2.694 8.113 1.00 0.00 N ATOM 669 CA ALA A 52 -8.755 1.881 8.066 1.00 0.00 C ATOM 670 C ALA A 52 -9.079 1.635 6.594 1.00 0.00 C ATOM 671 O ALA A 52 -9.317 0.521 6.174 1.00 0.00 O ATOM 672 CB ALA A 52 -9.901 2.646 8.735 1.00 0.00 C ATOM 0 H ALA A 52 -7.551 3.517 8.714 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.623 0.937 8.594 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.810 2.045 8.698 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.644 2.851 9.774 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.066 3.587 8.210 1.00 0.00 H new ATOM 678 N ALA A 53 -9.046 2.672 5.798 1.00 0.00 N ATOM 679 CA ALA A 53 -9.303 2.500 4.348 1.00 0.00 C ATOM 680 C ALA A 53 -8.348 1.425 3.849 1.00 0.00 C ATOM 681 O ALA A 53 -8.719 0.538 3.110 1.00 0.00 O ATOM 682 CB ALA A 53 -9.030 3.816 3.613 1.00 0.00 C ATOM 0 H ALA A 53 -8.852 3.628 6.095 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.340 2.215 4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.220 3.684 2.548 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.685 4.594 4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.990 4.107 3.762 1.00 0.00 H new ATOM 688 N GLN A 54 -7.118 1.481 4.286 1.00 0.00 N ATOM 689 CA GLN A 54 -6.141 0.441 3.878 1.00 0.00 C ATOM 690 C GLN A 54 -6.719 -0.911 4.277 1.00 0.00 C ATOM 691 O GLN A 54 -6.489 -1.915 3.645 1.00 0.00 O ATOM 692 CB GLN A 54 -4.812 0.669 4.602 1.00 0.00 C ATOM 693 CG GLN A 54 -3.741 -0.242 4.002 1.00 0.00 C ATOM 694 CD GLN A 54 -3.295 0.316 2.648 1.00 0.00 C ATOM 695 OE1 GLN A 54 -3.200 -0.412 1.681 1.00 0.00 O ATOM 696 NE2 GLN A 54 -3.013 1.587 2.539 1.00 0.00 N ATOM 0 H GLN A 54 -6.752 2.203 4.907 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.961 0.481 2.804 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.510 1.712 4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.925 0.463 5.666 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.888 -0.312 4.677 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.134 -1.251 3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.093 2.199 3.351 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.713 1.968 1.642 1.00 0.00 H new ATOM 705 N VAL A 55 -7.491 -0.932 5.328 1.00 0.00 N ATOM 706 CA VAL A 55 -8.109 -2.209 5.776 1.00 0.00 C ATOM 707 C VAL A 55 -9.190 -2.625 4.773 1.00 0.00 C ATOM 708 O VAL A 55 -9.294 -3.775 4.395 1.00 0.00 O ATOM 709 CB VAL A 55 -8.738 -2.004 7.156 1.00 0.00 C ATOM 710 CG1 VAL A 55 -9.190 -3.350 7.721 1.00 0.00 C ATOM 711 CG2 VAL A 55 -7.705 -1.375 8.092 1.00 0.00 C ATOM 0 H VAL A 55 -7.720 -0.117 5.897 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.350 -2.989 5.834 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.602 -1.345 7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.637 -3.200 8.704 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.925 -3.797 7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.330 -4.014 7.811 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.149 -1.227 9.077 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.842 -2.036 8.178 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.387 -0.413 7.689 1.00 0.00 H new ATOM 721 N HIS A 56 -9.994 -1.697 4.334 1.00 0.00 N ATOM 722 CA HIS A 56 -11.064 -2.038 3.354 1.00 0.00 C ATOM 723 C HIS A 56 -10.445 -2.191 1.962 1.00 0.00 C ATOM 724 O HIS A 56 -10.891 -2.985 1.159 1.00 0.00 O ATOM 725 CB HIS A 56 -12.105 -0.914 3.330 1.00 0.00 C ATOM 726 CG HIS A 56 -13.395 -1.432 2.758 1.00 0.00 C ATOM 727 ND1 HIS A 56 -14.603 -1.292 3.420 1.00 0.00 N ATOM 728 CD2 HIS A 56 -13.682 -2.090 1.588 1.00 0.00 C ATOM 729 CE1 HIS A 56 -15.554 -1.855 2.652 1.00 0.00 C ATOM 730 NE2 HIS A 56 -15.047 -2.355 1.523 1.00 0.00 N ATOM 0 H HIS A 56 -9.957 -0.716 4.612 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.544 -2.973 3.644 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -12.269 -0.535 4.339 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.740 -0.079 2.732 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -12.959 -2.361 0.833 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -16.600 -1.897 2.917 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -15.551 -2.829 0.774 1.00 0.00 H new ATOM 738 N ARG A 57 -9.418 -1.441 1.673 1.00 0.00 N ATOM 739 CA ARG A 57 -8.770 -1.552 0.338 1.00 0.00 C ATOM 740 C ARG A 57 -7.834 -2.762 0.339 1.00 0.00 C ATOM 741 O ARG A 57 -7.750 -3.496 -0.624 1.00 0.00 O ATOM 742 CB ARG A 57 -7.973 -0.277 0.050 1.00 0.00 C ATOM 743 CG ARG A 57 -8.878 0.744 -0.647 1.00 0.00 C ATOM 744 CD ARG A 57 -8.484 2.161 -0.220 1.00 0.00 C ATOM 745 NE ARG A 57 -9.643 2.818 0.450 1.00 0.00 N ATOM 746 CZ ARG A 57 -9.922 4.068 0.196 1.00 0.00 C ATOM 747 NH1 ARG A 57 -9.026 4.994 0.406 1.00 0.00 N ATOM 748 NH2 ARG A 57 -11.100 4.394 -0.264 1.00 0.00 N ATOM 0 H ARG A 57 -9.000 -0.757 2.304 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.529 -1.679 -0.434 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.585 0.140 0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.114 -0.507 -0.580 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.791 0.643 -1.729 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.921 0.554 -0.392 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.631 2.124 0.458 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.175 2.742 -1.089 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.218 2.291 1.107 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.107 4.741 0.769 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.245 5.970 0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.802 3.672 -0.425 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.318 5.371 -0.462 1.00 0.00 H new ATOM 762 N GLU A 58 -7.142 -2.983 1.424 1.00 0.00 N ATOM 763 CA GLU A 58 -6.226 -4.155 1.503 1.00 0.00 C ATOM 764 C GLU A 58 -7.066 -5.423 1.678 1.00 0.00 C ATOM 765 O GLU A 58 -6.838 -6.425 1.032 1.00 0.00 O ATOM 766 CB GLU A 58 -5.285 -3.990 2.705 1.00 0.00 C ATOM 767 CG GLU A 58 -4.036 -4.870 2.550 1.00 0.00 C ATOM 768 CD GLU A 58 -4.390 -6.195 1.867 1.00 0.00 C ATOM 769 OE1 GLU A 58 -5.077 -6.992 2.484 1.00 0.00 O ATOM 770 OE2 GLU A 58 -3.968 -6.389 0.739 1.00 0.00 O ATOM 0 H GLU A 58 -7.172 -2.400 2.261 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.632 -4.226 0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.989 -2.945 2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.810 -4.256 3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.284 -4.342 1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.598 -5.065 3.529 1.00 0.00 H new ATOM 777 N TYR A 59 -8.045 -5.383 2.545 1.00 0.00 N ATOM 778 CA TYR A 59 -8.906 -6.581 2.752 1.00 0.00 C ATOM 779 C TYR A 59 -10.362 -6.208 2.477 1.00 0.00 C ATOM 780 O TYR A 59 -10.677 -5.089 2.127 1.00 0.00 O ATOM 781 CB TYR A 59 -8.810 -7.064 4.203 1.00 0.00 C ATOM 782 CG TYR A 59 -7.429 -6.825 4.759 1.00 0.00 C ATOM 783 CD1 TYR A 59 -7.129 -5.611 5.386 1.00 0.00 C ATOM 784 CD2 TYR A 59 -6.455 -7.824 4.668 1.00 0.00 C ATOM 785 CE1 TYR A 59 -5.854 -5.393 5.916 1.00 0.00 C ATOM 786 CE2 TYR A 59 -5.180 -7.609 5.201 1.00 0.00 C ATOM 787 CZ TYR A 59 -4.878 -6.393 5.826 1.00 0.00 C ATOM 788 OH TYR A 59 -3.622 -6.180 6.351 1.00 0.00 O ATOM 0 H TYR A 59 -8.284 -4.573 3.117 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.570 -7.369 2.077 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.547 -6.543 4.814 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.048 -8.127 4.253 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.883 -4.842 5.461 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.687 -8.762 4.186 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.622 -4.453 6.395 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.428 -8.381 5.130 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.644 -6.323 7.320 1.00 0.00 H new ATOM 798 N GLN A 60 -11.251 -7.134 2.677 1.00 0.00 N ATOM 799 CA GLN A 60 -12.696 -6.854 2.481 1.00 0.00 C ATOM 800 C GLN A 60 -13.360 -6.963 3.847 1.00 0.00 C ATOM 801 O GLN A 60 -14.476 -7.424 3.988 1.00 0.00 O ATOM 802 CB GLN A 60 -13.306 -7.882 1.525 1.00 0.00 C ATOM 803 CG GLN A 60 -12.775 -7.647 0.110 1.00 0.00 C ATOM 804 CD GLN A 60 -13.184 -8.817 -0.786 1.00 0.00 C ATOM 805 OE1 GLN A 60 -12.343 -9.532 -1.294 1.00 0.00 O ATOM 806 NE2 GLN A 60 -14.451 -9.045 -1.001 1.00 0.00 N ATOM 0 H GLN A 60 -11.035 -8.086 2.972 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.843 -5.863 2.051 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -13.058 -8.891 1.854 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.393 -7.802 1.534 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.171 -6.713 -0.289 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.689 -7.551 0.128 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.157 -8.445 -0.574 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.735 -9.824 -1.596 1.00 0.00 H new ATOM 815 N VAL A 61 -12.648 -6.556 4.859 1.00 0.00 N ATOM 816 CA VAL A 61 -13.172 -6.636 6.246 1.00 0.00 C ATOM 817 C VAL A 61 -13.834 -5.309 6.621 1.00 0.00 C ATOM 818 O VAL A 61 -13.573 -4.284 6.022 1.00 0.00 O ATOM 819 CB VAL A 61 -11.997 -6.924 7.182 1.00 0.00 C ATOM 820 CG1 VAL A 61 -10.872 -5.916 6.922 1.00 0.00 C ATOM 821 CG2 VAL A 61 -12.449 -6.813 8.637 1.00 0.00 C ATOM 0 H VAL A 61 -11.709 -6.165 4.780 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.916 -7.428 6.329 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.634 -7.934 6.994 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.036 -6.123 7.590 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.539 -6.001 5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -11.239 -4.906 7.103 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.606 -7.020 9.297 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.820 -5.806 8.827 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.244 -7.534 8.827 1.00 0.00 H new ATOM 831 N GLU A 62 -14.703 -5.321 7.595 1.00 0.00 N ATOM 832 CA GLU A 62 -15.393 -4.061 7.987 1.00 0.00 C ATOM 833 C GLU A 62 -14.685 -3.412 9.175 1.00 0.00 C ATOM 834 O GLU A 62 -14.851 -3.811 10.310 1.00 0.00 O ATOM 835 CB GLU A 62 -16.843 -4.365 8.371 1.00 0.00 C ATOM 836 CG GLU A 62 -17.757 -3.279 7.798 1.00 0.00 C ATOM 837 CD GLU A 62 -19.185 -3.818 7.691 1.00 0.00 C ATOM 838 OE1 GLU A 62 -19.443 -4.872 8.249 1.00 0.00 O ATOM 839 OE2 GLU A 62 -19.995 -3.169 7.053 1.00 0.00 O ATOM 0 H GLU A 62 -14.964 -6.147 8.134 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.370 -3.375 7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.136 -5.342 7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.943 -4.406 9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.737 -2.397 8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.400 -2.969 6.816 1.00 0.00 H new ATOM 846 N LEU A 63 -13.916 -2.392 8.918 1.00 0.00 N ATOM 847 CA LEU A 63 -13.212 -1.684 10.021 1.00 0.00 C ATOM 848 C LEU A 63 -13.756 -0.252 10.086 1.00 0.00 C ATOM 849 O LEU A 63 -13.373 0.588 9.297 1.00 0.00 O ATOM 850 CB LEU A 63 -11.708 -1.657 9.737 1.00 0.00 C ATOM 851 CG LEU A 63 -10.944 -1.550 11.058 1.00 0.00 C ATOM 852 CD1 LEU A 63 -10.708 -2.948 11.633 1.00 0.00 C ATOM 853 CD2 LEU A 63 -9.596 -0.868 10.810 1.00 0.00 C ATOM 0 H LEU A 63 -13.744 -2.016 7.985 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.378 -2.194 10.970 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.411 -2.560 9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.463 -0.812 9.093 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.528 -0.963 11.767 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.164 -2.867 12.574 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.667 -3.436 11.809 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.125 -3.539 10.926 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.049 -0.790 11.750 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.015 -1.457 10.100 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.762 0.130 10.403 1.00 0.00 H new ATOM 865 N PRO A 64 -14.655 -0.023 11.010 1.00 0.00 N ATOM 866 CA PRO A 64 -15.295 1.293 11.179 1.00 0.00 C ATOM 867 C PRO A 64 -14.356 2.274 11.886 1.00 0.00 C ATOM 868 O PRO A 64 -13.495 1.885 12.651 1.00 0.00 O ATOM 869 CB PRO A 64 -16.525 0.986 12.041 1.00 0.00 C ATOM 870 CG PRO A 64 -16.226 -0.346 12.772 1.00 0.00 C ATOM 871 CD PRO A 64 -15.113 -1.048 11.972 1.00 0.00 C ATOM 0 HA PRO A 64 -15.551 1.765 10.231 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.708 1.788 12.756 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.419 0.898 11.424 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.908 -0.162 13.798 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.119 -0.969 12.822 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.301 -1.375 12.622 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -15.489 -1.934 11.461 1.00 0.00 H new ATOM 879 N LEU A 65 -14.520 3.546 11.637 1.00 0.00 N ATOM 880 CA LEU A 65 -13.643 4.552 12.297 1.00 0.00 C ATOM 881 C LEU A 65 -13.677 4.312 13.808 1.00 0.00 C ATOM 882 O LEU A 65 -12.666 4.358 14.480 1.00 0.00 O ATOM 883 CB LEU A 65 -14.160 5.964 11.989 1.00 0.00 C ATOM 884 CG LEU A 65 -13.486 6.528 10.727 1.00 0.00 C ATOM 885 CD1 LEU A 65 -12.105 7.077 11.078 1.00 0.00 C ATOM 886 CD2 LEU A 65 -13.332 5.432 9.670 1.00 0.00 C ATOM 0 H LEU A 65 -15.223 3.930 11.006 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.622 4.458 11.927 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -15.241 5.938 11.849 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.964 6.621 12.836 1.00 0.00 H new ATOM 0 HG LEU A 65 -14.112 7.327 10.330 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.633 7.475 10.180 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.206 7.872 11.817 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.489 6.277 11.488 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.853 5.847 8.783 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.718 4.625 10.070 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.315 5.043 9.404 1.00 0.00 H new ATOM 898 N LYS A 66 -14.838 4.036 14.345 1.00 0.00 N ATOM 899 CA LYS A 66 -14.937 3.774 15.808 1.00 0.00 C ATOM 900 C LYS A 66 -13.938 2.680 16.166 1.00 0.00 C ATOM 901 O LYS A 66 -13.063 2.867 16.987 1.00 0.00 O ATOM 902 CB LYS A 66 -16.355 3.311 16.157 1.00 0.00 C ATOM 903 CG LYS A 66 -16.577 3.433 17.667 1.00 0.00 C ATOM 904 CD LYS A 66 -17.132 2.116 18.216 1.00 0.00 C ATOM 905 CE LYS A 66 -18.623 2.015 17.895 1.00 0.00 C ATOM 906 NZ LYS A 66 -19.011 0.580 17.777 1.00 0.00 N ATOM 0 H LYS A 66 -15.719 3.981 13.833 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.718 4.683 16.368 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.088 3.915 15.621 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.500 2.278 15.840 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.638 3.678 18.164 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.271 4.247 17.878 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -16.597 1.273 17.778 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.977 2.066 19.294 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.208 2.497 18.678 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.842 2.539 16.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.025 0.512 17.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.462 0.133 17.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.817 0.093 18.675 1.00 0.00 H new ATOM 920 N VAL A 67 -14.048 1.544 15.536 1.00 0.00 N ATOM 921 CA VAL A 67 -13.085 0.451 15.823 1.00 0.00 C ATOM 922 C VAL A 67 -11.679 1.040 15.728 1.00 0.00 C ATOM 923 O VAL A 67 -10.806 0.725 16.511 1.00 0.00 O ATOM 924 CB VAL A 67 -13.269 -0.671 14.795 1.00 0.00 C ATOM 925 CG1 VAL A 67 -11.994 -1.513 14.691 1.00 0.00 C ATOM 926 CG2 VAL A 67 -14.432 -1.568 15.227 1.00 0.00 C ATOM 0 H VAL A 67 -14.760 1.328 14.839 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.248 0.033 16.816 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.481 -0.227 13.822 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.140 -2.306 13.957 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.164 -0.879 14.380 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.769 -1.954 15.662 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.565 -2.367 14.498 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.215 -2.001 16.204 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.345 -0.976 15.288 1.00 0.00 H new ATOM 936 N LEU A 68 -11.463 1.915 14.781 1.00 0.00 N ATOM 937 CA LEU A 68 -10.124 2.546 14.654 1.00 0.00 C ATOM 938 C LEU A 68 -9.866 3.368 15.916 1.00 0.00 C ATOM 939 O LEU A 68 -8.746 3.504 16.364 1.00 0.00 O ATOM 940 CB LEU A 68 -10.076 3.452 13.416 1.00 0.00 C ATOM 941 CG LEU A 68 -8.616 3.647 13.006 1.00 0.00 C ATOM 942 CD1 LEU A 68 -8.321 2.864 11.731 1.00 0.00 C ATOM 943 CD2 LEU A 68 -8.327 5.131 12.757 1.00 0.00 C ATOM 0 H LEU A 68 -12.155 2.216 14.095 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.359 1.778 14.540 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.641 3.005 12.598 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.539 4.414 13.634 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.982 3.284 13.815 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.279 3.010 11.448 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.505 1.804 11.904 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.968 3.218 10.929 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.284 5.255 12.466 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.972 5.498 11.959 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.519 5.697 13.669 1.00 0.00 H new ATOM 955 N PHE A 69 -10.906 3.899 16.506 1.00 0.00 N ATOM 956 CA PHE A 69 -10.733 4.689 17.756 1.00 0.00 C ATOM 957 C PHE A 69 -10.703 3.721 18.938 1.00 0.00 C ATOM 958 O PHE A 69 -9.993 3.921 19.903 1.00 0.00 O ATOM 959 CB PHE A 69 -11.901 5.661 17.922 1.00 0.00 C ATOM 960 CG PHE A 69 -11.484 7.040 17.468 1.00 0.00 C ATOM 961 CD1 PHE A 69 -10.506 7.748 18.177 1.00 0.00 C ATOM 962 CD2 PHE A 69 -12.081 7.613 16.337 1.00 0.00 C ATOM 963 CE1 PHE A 69 -10.125 9.027 17.755 1.00 0.00 C ATOM 964 CE2 PHE A 69 -11.699 8.892 15.917 1.00 0.00 C ATOM 965 CZ PHE A 69 -10.721 9.599 16.625 1.00 0.00 C ATOM 0 H PHE A 69 -11.867 3.818 16.174 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.805 5.259 17.710 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.757 5.319 17.340 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -12.216 5.691 18.965 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.046 7.307 19.049 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.836 7.068 15.790 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.370 9.573 18.302 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.159 9.334 15.046 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.426 10.586 16.300 1.00 0.00 H new ATOM 975 N ALA A 70 -11.467 2.662 18.858 1.00 0.00 N ATOM 976 CA ALA A 70 -11.484 1.661 19.963 1.00 0.00 C ATOM 977 C ALA A 70 -10.119 0.992 20.045 1.00 0.00 C ATOM 978 O ALA A 70 -9.619 0.691 21.110 1.00 0.00 O ATOM 979 CB ALA A 70 -12.525 0.578 19.665 1.00 0.00 C ATOM 0 H ALA A 70 -12.081 2.448 18.072 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.726 2.165 20.899 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.534 -0.151 20.475 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.511 1.035 19.578 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.273 0.078 18.730 1.00 0.00 H new ATOM 985 N GLN A 71 -9.528 0.734 18.916 1.00 0.00 N ATOM 986 CA GLN A 71 -8.207 0.054 18.899 1.00 0.00 C ATOM 987 C GLN A 71 -7.348 0.675 17.802 1.00 0.00 C ATOM 988 O GLN A 71 -7.061 0.040 16.810 1.00 0.00 O ATOM 989 CB GLN A 71 -8.396 -1.449 18.613 1.00 0.00 C ATOM 990 CG GLN A 71 -9.893 -1.763 18.436 1.00 0.00 C ATOM 991 CD GLN A 71 -10.174 -3.230 18.742 1.00 0.00 C ATOM 992 OE1 GLN A 71 -9.269 -4.034 18.844 1.00 0.00 O ATOM 993 NE2 GLN A 71 -11.413 -3.609 18.898 1.00 0.00 N ATOM 0 H GLN A 71 -9.906 0.967 17.998 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.721 0.173 19.867 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.848 -1.729 17.714 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.986 -2.039 19.433 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.484 -1.129 19.097 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.200 -1.534 17.416 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.169 -2.930 18.811 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.625 -4.585 19.107 1.00 0.00 H new ATOM 1002 N PRO A 72 -6.956 1.902 18.020 1.00 0.00 N ATOM 1003 CA PRO A 72 -6.119 2.638 17.070 1.00 0.00 C ATOM 1004 C PRO A 72 -4.693 2.170 17.244 1.00 0.00 C ATOM 1005 O PRO A 72 -3.855 2.889 17.752 1.00 0.00 O ATOM 1006 CB PRO A 72 -6.256 4.096 17.507 1.00 0.00 C ATOM 1007 CG PRO A 72 -6.708 4.063 18.989 1.00 0.00 C ATOM 1008 CD PRO A 72 -7.291 2.658 19.241 1.00 0.00 C ATOM 0 HA PRO A 72 -6.400 2.497 16.026 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.309 4.625 17.401 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.985 4.621 16.889 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.867 4.259 19.655 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.455 4.833 19.184 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.853 2.198 20.127 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.368 2.697 19.402 1.00 0.00 H new ATOM 1016 N THR A 73 -4.402 0.962 16.871 1.00 0.00 N ATOM 1017 CA THR A 73 -3.025 0.486 17.082 1.00 0.00 C ATOM 1018 C THR A 73 -2.628 -0.581 16.045 1.00 0.00 C ATOM 1019 O THR A 73 -3.457 -1.095 15.326 1.00 0.00 O ATOM 1020 CB THR A 73 -2.970 -0.069 18.499 1.00 0.00 C ATOM 1021 OG1 THR A 73 -3.276 0.971 19.419 1.00 0.00 O ATOM 1022 CG2 THR A 73 -1.591 -0.603 18.788 1.00 0.00 C ATOM 0 H THR A 73 -5.045 0.299 16.439 1.00 0.00 H new ATOM 0 HA THR A 73 -2.313 1.301 16.956 1.00 0.00 H new ATOM 0 HB THR A 73 -3.694 -0.878 18.599 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.444 1.368 19.752 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.559 -0.998 19.803 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.353 -1.398 18.081 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.861 0.201 18.689 1.00 0.00 H new ATOM 1030 N ILE A 74 -1.353 -0.900 15.958 1.00 0.00 N ATOM 1031 CA ILE A 74 -0.885 -1.912 14.958 1.00 0.00 C ATOM 1032 C ILE A 74 -1.408 -3.304 15.303 1.00 0.00 C ATOM 1033 O ILE A 74 -2.337 -3.799 14.696 1.00 0.00 O ATOM 1034 CB ILE A 74 0.646 -1.961 14.942 1.00 0.00 C ATOM 1035 CG1 ILE A 74 1.192 -0.635 14.403 1.00 0.00 C ATOM 1036 CG2 ILE A 74 1.104 -3.113 14.038 1.00 0.00 C ATOM 1037 CD1 ILE A 74 2.640 -0.807 13.941 1.00 0.00 C ATOM 0 H ILE A 74 -0.617 -0.500 16.540 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.266 -1.615 13.981 1.00 0.00 H new ATOM 0 HB ILE A 74 1.020 -2.120 15.953 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.576 -0.291 13.572 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.138 0.130 15.177 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.193 -3.153 14.023 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.712 -4.055 14.422 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.733 -2.951 13.026 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.016 0.143 13.560 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.254 -1.129 14.782 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.683 -1.557 13.151 1.00 0.00 H new ATOM 1049 N LYS A 75 -0.802 -3.950 16.259 1.00 0.00 N ATOM 1050 CA LYS A 75 -1.243 -5.322 16.624 1.00 0.00 C ATOM 1051 C LYS A 75 -2.770 -5.357 16.731 1.00 0.00 C ATOM 1052 O LYS A 75 -3.416 -6.243 16.209 1.00 0.00 O ATOM 1053 CB LYS A 75 -0.620 -5.723 17.965 1.00 0.00 C ATOM 1054 CG LYS A 75 -0.934 -7.191 18.260 1.00 0.00 C ATOM 1055 CD LYS A 75 0.267 -7.844 18.949 1.00 0.00 C ATOM 1056 CE LYS A 75 0.753 -6.948 20.090 1.00 0.00 C ATOM 1057 NZ LYS A 75 -0.267 -6.933 21.176 1.00 0.00 N ATOM 0 H LYS A 75 -0.020 -3.586 16.803 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.920 -6.024 15.855 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.459 -5.570 17.936 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.010 -5.090 18.762 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.816 -7.264 18.897 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.165 -7.717 17.334 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.011 -8.824 19.336 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.070 -8.002 18.230 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.705 -7.314 20.475 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.926 -5.936 19.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.111 -6.423 22.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.127 -6.456 20.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.497 -7.910 21.449 1.00 0.00 H new ATOM 1071 N ALA A 76 -3.354 -4.399 17.401 1.00 0.00 N ATOM 1072 CA ALA A 76 -4.839 -4.380 17.542 1.00 0.00 C ATOM 1073 C ALA A 76 -5.491 -4.335 16.154 1.00 0.00 C ATOM 1074 O ALA A 76 -6.106 -5.290 15.726 1.00 0.00 O ATOM 1075 CB ALA A 76 -5.256 -3.150 18.358 1.00 0.00 C ATOM 0 H ALA A 76 -2.866 -3.628 17.857 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.168 -5.282 18.057 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.341 -3.133 18.463 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.797 -3.196 19.346 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.927 -2.245 17.847 1.00 0.00 H new ATOM 1081 N LEU A 77 -5.359 -3.247 15.437 1.00 0.00 N ATOM 1082 CA LEU A 77 -5.977 -3.185 14.077 1.00 0.00 C ATOM 1083 C LEU A 77 -5.683 -4.494 13.351 1.00 0.00 C ATOM 1084 O LEU A 77 -6.579 -5.216 12.964 1.00 0.00 O ATOM 1085 CB LEU A 77 -5.368 -2.023 13.273 1.00 0.00 C ATOM 1086 CG LEU A 77 -6.202 -0.726 13.378 1.00 0.00 C ATOM 1087 CD1 LEU A 77 -6.834 -0.428 12.022 1.00 0.00 C ATOM 1088 CD2 LEU A 77 -7.314 -0.843 14.425 1.00 0.00 C ATOM 0 H LEU A 77 -4.857 -2.409 15.730 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.052 -3.030 14.172 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.356 -1.830 13.630 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.286 -2.314 12.226 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.532 0.078 13.683 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.424 0.486 12.089 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.050 -0.300 11.275 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.480 -1.257 11.732 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.875 0.091 14.466 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.985 -1.658 14.154 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.874 -1.045 15.402 1.00 0.00 H new ATOM 1100 N ALA A 78 -4.433 -4.813 13.177 1.00 0.00 N ATOM 1101 CA ALA A 78 -4.093 -6.083 12.489 1.00 0.00 C ATOM 1102 C ALA A 78 -4.938 -7.205 13.093 1.00 0.00 C ATOM 1103 O ALA A 78 -5.327 -8.136 12.421 1.00 0.00 O ATOM 1104 CB ALA A 78 -2.607 -6.393 12.688 1.00 0.00 C ATOM 0 H ALA A 78 -3.637 -4.252 13.480 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.297 -5.996 11.422 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.359 -7.326 12.182 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.007 -5.584 12.271 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.395 -6.490 13.753 1.00 0.00 H new ATOM 1110 N GLN A 79 -5.234 -7.116 14.360 1.00 0.00 N ATOM 1111 CA GLN A 79 -6.060 -8.171 15.010 1.00 0.00 C ATOM 1112 C GLN A 79 -7.529 -7.955 14.638 1.00 0.00 C ATOM 1113 O GLN A 79 -8.237 -8.883 14.300 1.00 0.00 O ATOM 1114 CB GLN A 79 -5.846 -8.106 16.537 1.00 0.00 C ATOM 1115 CG GLN A 79 -7.067 -7.512 17.264 1.00 0.00 C ATOM 1116 CD GLN A 79 -6.890 -7.666 18.778 1.00 0.00 C ATOM 1117 OE1 GLN A 79 -7.837 -7.943 19.487 1.00 0.00 O ATOM 1118 NE2 GLN A 79 -5.711 -7.489 19.310 1.00 0.00 N ATOM 0 H GLN A 79 -4.939 -6.357 14.974 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.764 -9.162 14.666 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.648 -9.108 16.919 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.965 -7.502 16.755 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.179 -6.459 17.006 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.977 -8.018 16.941 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.914 -7.256 18.718 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.587 -7.583 20.318 1.00 0.00 H new ATOM 1127 N TYR A 80 -7.988 -6.734 14.686 1.00 0.00 N ATOM 1128 CA TYR A 80 -9.406 -6.466 14.325 1.00 0.00 C ATOM 1129 C TYR A 80 -9.613 -6.794 12.846 1.00 0.00 C ATOM 1130 O TYR A 80 -10.689 -7.172 12.425 1.00 0.00 O ATOM 1131 CB TYR A 80 -9.738 -4.995 14.572 1.00 0.00 C ATOM 1132 CG TYR A 80 -11.208 -4.869 14.892 1.00 0.00 C ATOM 1133 CD1 TYR A 80 -12.154 -4.937 13.862 1.00 0.00 C ATOM 1134 CD2 TYR A 80 -11.627 -4.690 16.217 1.00 0.00 C ATOM 1135 CE1 TYR A 80 -13.518 -4.825 14.154 1.00 0.00 C ATOM 1136 CE2 TYR A 80 -12.992 -4.577 16.509 1.00 0.00 C ATOM 1137 CZ TYR A 80 -13.937 -4.645 15.478 1.00 0.00 C ATOM 1138 OH TYR A 80 -15.283 -4.533 15.765 1.00 0.00 O ATOM 0 H TYR A 80 -7.444 -5.915 14.958 1.00 0.00 H new ATOM 0 HA TYR A 80 -10.061 -7.085 14.939 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.139 -4.607 15.396 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.492 -4.401 13.692 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -11.831 -5.076 12.841 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -10.898 -4.639 17.012 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -14.247 -4.877 13.359 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -13.316 -4.437 17.530 1.00 0.00 H new ATOM 0 HH TYR A 80 -15.403 -4.414 16.730 1.00 0.00 H new ATOM 1148 N VAL A 81 -8.583 -6.654 12.061 1.00 0.00 N ATOM 1149 CA VAL A 81 -8.691 -6.955 10.605 1.00 0.00 C ATOM 1150 C VAL A 81 -8.430 -8.435 10.377 1.00 0.00 C ATOM 1151 O VAL A 81 -9.246 -9.165 9.852 1.00 0.00 O ATOM 1152 CB VAL A 81 -7.614 -6.175 9.850 1.00 0.00 C ATOM 1153 CG1 VAL A 81 -7.843 -6.310 8.346 1.00 0.00 C ATOM 1154 CG2 VAL A 81 -7.664 -4.708 10.262 1.00 0.00 C ATOM 0 H VAL A 81 -7.662 -6.341 12.368 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.686 -6.680 10.256 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.631 -6.578 10.095 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.075 -5.753 7.810 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.793 -7.362 8.063 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.825 -5.911 8.090 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.896 -4.152 9.724 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.645 -4.296 10.023 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.487 -4.625 11.334 1.00 0.00 H new ATOM 1164 N ALA A 82 -7.267 -8.858 10.759 1.00 0.00 N ATOM 1165 CA ALA A 82 -6.862 -10.267 10.579 1.00 0.00 C ATOM 1166 C ALA A 82 -7.842 -11.201 11.294 1.00 0.00 C ATOM 1167 O ALA A 82 -8.015 -12.341 10.913 1.00 0.00 O ATOM 1168 CB ALA A 82 -5.464 -10.407 11.162 1.00 0.00 C ATOM 0 H ALA A 82 -6.562 -8.268 11.201 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.867 -10.540 9.524 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.124 -11.437 11.050 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.782 -9.740 10.635 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.483 -10.144 12.220 1.00 0.00 H new ATOM 1174 N THR A 83 -8.492 -10.729 12.322 1.00 0.00 N ATOM 1175 CA THR A 83 -9.462 -11.599 13.044 1.00 0.00 C ATOM 1176 C THR A 83 -10.793 -10.862 13.206 1.00 0.00 C ATOM 1177 O THR A 83 -10.764 -9.648 13.331 1.00 0.00 O ATOM 1178 CB THR A 83 -8.905 -11.958 14.424 1.00 0.00 C ATOM 1179 OG1 THR A 83 -7.551 -11.537 14.508 1.00 0.00 O ATOM 1180 CG2 THR A 83 -8.984 -13.472 14.629 1.00 0.00 C ATOM 0 H THR A 83 -8.394 -9.783 12.692 1.00 0.00 H new ATOM 0 HA THR A 83 -9.621 -12.512 12.470 1.00 0.00 H new ATOM 0 HB THR A 83 -9.491 -11.458 15.196 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.515 -10.559 14.550 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.587 -13.727 15.612 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.023 -13.794 14.562 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.398 -13.974 13.859 1.00 0.00 H new TER 1188 THR A 83