USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 876 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 ASN : amide:sc= -0.0288 X(o=-3.5,f=-3.7) USER MOD Set 1.2: A 79 GLN : amide:sc= -3.49! C(o=-3.5!,f=-4.6!) USER MOD Set 2.1: A 64 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 84 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.32!) USER MOD Set 3.1: A 1 MET N :NH3+ 179:sc= 0.0318 (180deg=-0.213) USER MOD Set 3.2: A 5 ASN : amide:sc= -0.0526 K(o=-0.021,f=-3.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 11:sc= 0.0341 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0953 USER MOD Single : A 24 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.28) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-2.1) USER MOD Single : A 31 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.38) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 178:sc= 0.0272 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 26:sc= -0.774 USER MOD Single : A 43 GLN : amide:sc= -1.31 K(o=-1.3,f=-2.1!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc=-0.00266 X(o=-0.0027,f=-0.21) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 170:sc= -0.0299 (180deg=-0.173) USER MOD Single : A 81 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.78) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 169:sc= 0 (180deg=-0.113) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.22) USER MOD Single : A 99 GLN : amide:sc= -0.53 K(o=-0.53,f=-1.6) USER MOD Single : A 100 LYS NZ :NH3+ -166:sc= -0.134 (180deg=-0.426) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -1.93 K(o=-1.9,f=-6.8!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.519 -54.535 -26.421 1.00 0.00 N ATOM 2 CA MET A 1 -16.771 -54.454 -27.164 1.00 0.00 C ATOM 3 C MET A 1 -17.930 -55.006 -26.341 1.00 0.00 C ATOM 4 O MET A 1 -19.068 -54.556 -26.472 1.00 0.00 O ATOM 5 CB MET A 1 -16.657 -55.221 -28.483 1.00 0.00 C ATOM 6 CG MET A 1 -16.987 -54.379 -29.706 1.00 0.00 C ATOM 7 SD MET A 1 -16.716 -55.268 -31.253 1.00 0.00 S ATOM 8 CE MET A 1 -18.332 -55.998 -31.510 1.00 0.00 C ATOM 0 H1 MET A 1 -14.743 -54.169 -27.008 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.593 -53.968 -25.553 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.327 -55.526 -26.172 1.00 0.00 H new ATOM 0 HA MET A 1 -16.969 -53.404 -27.378 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.643 -55.609 -28.582 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.326 -56.081 -28.453 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.028 -54.059 -29.652 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.375 -53.477 -29.697 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.325 -56.581 -32.431 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.575 -56.649 -30.670 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.080 -55.209 -31.586 1.00 0.00 H new ATOM 17 N SER A 2 -17.634 -55.984 -25.491 1.00 0.00 N ATOM 18 CA SER A 2 -18.651 -56.601 -24.650 1.00 0.00 C ATOM 19 C SER A 2 -18.096 -56.911 -23.263 1.00 0.00 C ATOM 20 O SER A 2 -16.882 -57.010 -23.077 1.00 0.00 O ATOM 21 CB SER A 2 -19.175 -57.883 -25.301 1.00 0.00 C ATOM 22 OG SER A 2 -20.084 -57.588 -26.347 1.00 0.00 O ATOM 0 H SER A 2 -16.696 -56.366 -25.367 1.00 0.00 H new ATOM 0 HA SER A 2 -19.474 -55.895 -24.543 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.340 -58.463 -25.693 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.668 -58.501 -24.550 1.00 0.00 H new ATOM 0 HG SER A 2 -20.057 -56.628 -26.543 1.00 0.00 H new ATOM 28 N ILE A 3 -18.990 -57.066 -22.294 1.00 0.00 N ATOM 29 CA ILE A 3 -18.589 -57.367 -20.925 1.00 0.00 C ATOM 30 C ILE A 3 -17.721 -56.253 -20.349 1.00 0.00 C ATOM 31 O ILE A 3 -16.500 -56.263 -20.503 1.00 0.00 O ATOM 32 CB ILE A 3 -17.819 -58.697 -20.843 1.00 0.00 C ATOM 33 CG1 ILE A 3 -18.647 -59.829 -21.458 1.00 0.00 C ATOM 34 CG2 ILE A 3 -17.465 -59.016 -19.399 1.00 0.00 C ATOM 35 CD1 ILE A 3 -17.985 -60.484 -22.649 1.00 0.00 C ATOM 0 H ILE A 3 -19.998 -56.988 -22.431 1.00 0.00 H new ATOM 0 HA ILE A 3 -19.505 -57.451 -20.339 1.00 0.00 H new ATOM 0 HB ILE A 3 -16.893 -58.600 -21.410 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -18.836 -60.585 -20.696 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -19.616 -59.435 -21.763 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -16.921 -59.960 -19.358 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -16.842 -58.219 -18.993 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -18.379 -59.098 -18.810 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -18.628 -61.276 -23.033 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -17.821 -59.740 -23.429 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -17.028 -60.909 -22.345 1.00 0.00 H new ATOM 47 N GLU A 4 -18.359 -55.296 -19.684 1.00 0.00 N ATOM 48 CA GLU A 4 -17.644 -54.176 -19.084 1.00 0.00 C ATOM 49 C GLU A 4 -16.808 -53.440 -20.130 1.00 0.00 C ATOM 50 O GLU A 4 -15.580 -53.507 -20.115 1.00 0.00 O ATOM 51 CB GLU A 4 -16.744 -54.666 -17.949 1.00 0.00 C ATOM 52 CG GLU A 4 -17.472 -54.837 -16.626 1.00 0.00 C ATOM 53 CD GLU A 4 -16.583 -55.416 -15.542 1.00 0.00 C ATOM 54 OE1 GLU A 4 -15.917 -56.441 -15.805 1.00 0.00 O ATOM 55 OE2 GLU A 4 -16.551 -54.846 -14.432 1.00 0.00 O ATOM 0 H GLU A 4 -19.370 -55.274 -19.547 1.00 0.00 H new ATOM 0 HA GLU A 4 -18.381 -53.482 -18.680 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.299 -55.619 -18.235 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.925 -53.959 -17.815 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -17.855 -53.870 -16.299 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -18.333 -55.489 -16.771 1.00 0.00 H new ATOM 62 N ASN A 5 -17.485 -52.742 -21.035 1.00 0.00 N ATOM 63 CA ASN A 5 -16.806 -51.996 -22.088 1.00 0.00 C ATOM 64 C ASN A 5 -15.928 -50.899 -21.498 1.00 0.00 C ATOM 65 O ASN A 5 -15.798 -50.781 -20.278 1.00 0.00 O ATOM 66 CB ASN A 5 -17.829 -51.385 -23.048 1.00 0.00 C ATOM 67 CG ASN A 5 -17.598 -51.809 -24.486 1.00 0.00 C ATOM 68 OD1 ASN A 5 -16.485 -52.176 -24.866 1.00 0.00 O ATOM 69 ND2 ASN A 5 -18.650 -51.760 -25.294 1.00 0.00 N ATOM 0 H ASN A 5 -18.503 -52.677 -21.061 1.00 0.00 H new ATOM 0 HA ASN A 5 -16.169 -52.689 -22.638 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -18.832 -51.681 -22.742 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -17.782 -50.298 -22.981 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -18.555 -52.033 -26.272 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -19.554 -51.450 -24.937 1.00 0.00 H new ATOM 76 N LEU A 6 -15.326 -50.096 -22.370 1.00 0.00 N ATOM 77 CA LEU A 6 -14.458 -49.007 -21.935 1.00 0.00 C ATOM 78 C LEU A 6 -15.192 -48.078 -20.973 1.00 0.00 C ATOM 79 O LEU A 6 -16.398 -48.211 -20.763 1.00 0.00 O ATOM 80 CB LEU A 6 -13.957 -48.215 -23.143 1.00 0.00 C ATOM 81 CG LEU A 6 -15.032 -47.547 -24.000 1.00 0.00 C ATOM 82 CD1 LEU A 6 -15.207 -46.092 -23.595 1.00 0.00 C ATOM 83 CD2 LEU A 6 -14.678 -47.651 -25.477 1.00 0.00 C ATOM 0 H LEU A 6 -15.423 -50.179 -23.382 1.00 0.00 H new ATOM 0 HA LEU A 6 -13.605 -49.441 -21.413 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -13.273 -47.444 -22.788 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -13.379 -48.886 -23.778 1.00 0.00 H new ATOM 0 HG LEU A 6 -15.976 -48.066 -23.835 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -15.976 -45.632 -24.215 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -15.505 -46.039 -22.548 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -14.265 -45.561 -23.731 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -15.454 -47.170 -26.072 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -13.724 -47.157 -25.658 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -14.602 -48.701 -25.760 1.00 0.00 H new ATOM 95 N LYS A 7 -14.457 -47.136 -20.392 1.00 0.00 N ATOM 96 CA LYS A 7 -15.037 -46.182 -19.454 1.00 0.00 C ATOM 97 C LYS A 7 -14.508 -44.775 -19.714 1.00 0.00 C ATOM 98 O LYS A 7 -13.335 -44.593 -20.040 1.00 0.00 O ATOM 99 CB LYS A 7 -14.727 -46.597 -18.015 1.00 0.00 C ATOM 100 CG LYS A 7 -15.532 -47.793 -17.540 1.00 0.00 C ATOM 101 CD LYS A 7 -16.778 -47.362 -16.781 1.00 0.00 C ATOM 102 CE LYS A 7 -17.935 -48.320 -17.021 1.00 0.00 C ATOM 103 NZ LYS A 7 -19.186 -47.853 -16.360 1.00 0.00 N ATOM 0 H LYS A 7 -13.458 -47.013 -20.554 1.00 0.00 H new ATOM 0 HA LYS A 7 -16.117 -46.178 -19.599 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.665 -46.829 -17.934 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.921 -45.753 -17.353 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -15.819 -48.403 -18.397 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.912 -48.418 -16.898 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -16.558 -47.315 -15.714 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -17.065 -46.357 -17.091 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -18.106 -48.422 -18.093 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -17.672 -49.309 -16.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -19.951 -48.532 -16.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -19.030 -47.780 -15.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -19.451 -46.921 -16.737 1.00 0.00 H new ATOM 117 N SER A 8 -15.381 -43.783 -19.566 1.00 0.00 N ATOM 118 CA SER A 8 -15.001 -42.392 -19.787 1.00 0.00 C ATOM 119 C SER A 8 -15.054 -41.600 -18.483 1.00 0.00 C ATOM 120 O SER A 8 -15.553 -42.087 -17.468 1.00 0.00 O ATOM 121 CB SER A 8 -15.923 -41.749 -20.825 1.00 0.00 C ATOM 122 OG SER A 8 -15.205 -40.865 -21.667 1.00 0.00 O ATOM 0 H SER A 8 -16.355 -43.916 -19.294 1.00 0.00 H new ATOM 0 HA SER A 8 -13.977 -42.376 -20.160 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.396 -42.525 -21.426 1.00 0.00 H new ATOM 0 HB3 SER A 8 -16.722 -41.206 -20.320 1.00 0.00 H new ATOM 0 HG SER A 8 -15.816 -40.469 -22.322 1.00 0.00 H new ATOM 128 N PHE A 9 -14.537 -40.378 -18.520 1.00 0.00 N ATOM 129 CA PHE A 9 -14.522 -39.517 -17.341 1.00 0.00 C ATOM 130 C PHE A 9 -15.241 -38.200 -17.622 1.00 0.00 C ATOM 131 O PHE A 9 -15.465 -37.837 -18.777 1.00 0.00 O ATOM 132 CB PHE A 9 -13.084 -39.244 -16.901 1.00 0.00 C ATOM 133 CG PHE A 9 -12.301 -38.424 -17.885 1.00 0.00 C ATOM 134 CD1 PHE A 9 -11.748 -39.011 -19.012 1.00 0.00 C ATOM 135 CD2 PHE A 9 -12.118 -37.065 -17.684 1.00 0.00 C ATOM 136 CE1 PHE A 9 -11.027 -38.257 -19.919 1.00 0.00 C ATOM 137 CE2 PHE A 9 -11.399 -36.306 -18.588 1.00 0.00 C ATOM 138 CZ PHE A 9 -10.853 -36.903 -19.708 1.00 0.00 C ATOM 0 H PHE A 9 -14.122 -39.960 -19.353 1.00 0.00 H new ATOM 0 HA PHE A 9 -15.047 -40.033 -16.537 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -13.098 -38.728 -15.941 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -12.574 -40.194 -16.745 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -11.882 -40.069 -19.184 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -12.542 -36.593 -16.810 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.600 -38.727 -20.793 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -11.264 -35.248 -18.419 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.292 -36.312 -20.417 1.00 0.00 H new ATOM 148 N ASP A 10 -15.598 -37.491 -16.557 1.00 0.00 N ATOM 149 CA ASP A 10 -16.290 -36.215 -16.686 1.00 0.00 C ATOM 150 C ASP A 10 -15.785 -35.216 -15.649 1.00 0.00 C ATOM 151 O ASP A 10 -15.255 -35.586 -14.602 1.00 0.00 O ATOM 152 CB ASP A 10 -17.799 -36.410 -16.534 1.00 0.00 C ATOM 153 CG ASP A 10 -18.251 -37.789 -16.970 1.00 0.00 C ATOM 154 OD1 ASP A 10 -18.056 -38.130 -18.156 1.00 0.00 O ATOM 155 OD2 ASP A 10 -18.800 -38.529 -16.127 1.00 0.00 O ATOM 0 H ASP A 10 -15.419 -37.779 -15.595 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.083 -35.816 -17.679 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -18.080 -36.251 -15.493 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -18.321 -35.656 -17.124 1.00 0.00 H new ATOM 160 N PRO A 11 -15.955 -33.918 -15.945 1.00 0.00 N ATOM 161 CA PRO A 11 -15.524 -32.840 -15.050 1.00 0.00 C ATOM 162 C PRO A 11 -16.371 -32.762 -13.786 1.00 0.00 C ATOM 163 O PRO A 11 -17.238 -33.606 -13.554 1.00 0.00 O ATOM 164 CB PRO A 11 -15.713 -31.580 -15.898 1.00 0.00 C ATOM 165 CG PRO A 11 -16.769 -31.941 -16.884 1.00 0.00 C ATOM 166 CD PRO A 11 -16.582 -33.405 -17.175 1.00 0.00 C ATOM 0 HA PRO A 11 -14.503 -32.986 -14.699 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.018 -30.732 -15.284 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.786 -31.296 -16.397 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -17.763 -31.747 -16.480 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -16.673 -31.347 -17.793 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -17.532 -33.899 -17.378 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.947 -33.564 -18.047 1.00 0.00 H new ATOM 174 N PHE A 12 -16.114 -31.747 -12.968 1.00 0.00 N ATOM 175 CA PHE A 12 -16.853 -31.560 -11.724 1.00 0.00 C ATOM 176 C PHE A 12 -16.898 -30.086 -11.335 1.00 0.00 C ATOM 177 O PHE A 12 -17.970 -29.484 -11.262 1.00 0.00 O ATOM 178 CB PHE A 12 -16.214 -32.377 -10.599 1.00 0.00 C ATOM 179 CG PHE A 12 -17.139 -32.631 -9.443 1.00 0.00 C ATOM 180 CD1 PHE A 12 -18.194 -33.520 -9.568 1.00 0.00 C ATOM 181 CD2 PHE A 12 -16.953 -31.982 -8.234 1.00 0.00 C ATOM 182 CE1 PHE A 12 -19.048 -33.756 -8.505 1.00 0.00 C ATOM 183 CE2 PHE A 12 -17.803 -32.213 -7.170 1.00 0.00 C ATOM 184 CZ PHE A 12 -18.851 -33.103 -7.304 1.00 0.00 C ATOM 0 H PHE A 12 -15.399 -31.041 -13.144 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.874 -31.907 -11.881 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -15.877 -33.332 -11.001 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -15.329 -31.853 -10.238 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -18.352 -34.034 -10.505 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -16.134 -31.287 -8.122 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -19.868 -34.450 -8.614 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -17.648 -31.698 -6.233 1.00 0.00 H new ATOM 0 HZ PHE A 12 -19.514 -33.288 -6.472 1.00 0.00 H new ATOM 194 N ALA A 13 -15.727 -29.508 -11.085 1.00 0.00 N ATOM 195 CA ALA A 13 -15.632 -28.105 -10.706 1.00 0.00 C ATOM 196 C ALA A 13 -16.385 -27.836 -9.406 1.00 0.00 C ATOM 197 O ALA A 13 -16.957 -28.747 -8.809 1.00 0.00 O ATOM 198 CB ALA A 13 -16.168 -27.219 -11.820 1.00 0.00 C ATOM 0 H ALA A 13 -14.830 -29.992 -11.139 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.580 -27.869 -10.543 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.091 -26.173 -11.522 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.586 -27.382 -12.727 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.213 -27.466 -12.010 1.00 0.00 H new ATOM 204 N ASP A 14 -16.378 -26.580 -8.975 1.00 0.00 N ATOM 205 CA ASP A 14 -17.060 -26.192 -7.745 1.00 0.00 C ATOM 206 C ASP A 14 -17.304 -24.686 -7.713 1.00 0.00 C ATOM 207 O ASP A 14 -17.001 -23.975 -8.671 1.00 0.00 O ATOM 208 CB ASP A 14 -16.241 -26.615 -6.526 1.00 0.00 C ATOM 209 CG ASP A 14 -17.104 -27.189 -5.419 1.00 0.00 C ATOM 210 OD1 ASP A 14 -18.247 -26.716 -5.254 1.00 0.00 O ATOM 211 OD2 ASP A 14 -16.635 -28.110 -4.718 1.00 0.00 O ATOM 0 H ASP A 14 -15.909 -25.814 -9.458 1.00 0.00 H new ATOM 0 HA ASP A 14 -18.024 -26.700 -7.717 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.502 -27.357 -6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.691 -25.754 -6.145 1.00 0.00 H new ATOM 216 N THR A 15 -17.854 -24.204 -6.601 1.00 0.00 N ATOM 217 CA THR A 15 -18.140 -22.784 -6.444 1.00 0.00 C ATOM 218 C THR A 15 -17.499 -22.231 -5.177 1.00 0.00 C ATOM 219 O THR A 15 -17.115 -22.985 -4.285 1.00 0.00 O ATOM 220 CB THR A 15 -19.658 -22.520 -6.395 1.00 0.00 C ATOM 221 OG1 THR A 15 -19.905 -21.123 -6.190 1.00 0.00 O ATOM 222 CG2 THR A 15 -20.312 -23.324 -5.283 1.00 0.00 C ATOM 0 H THR A 15 -18.110 -24.777 -5.797 1.00 0.00 H new ATOM 0 HA THR A 15 -17.717 -22.278 -7.312 1.00 0.00 H new ATOM 0 HB THR A 15 -20.090 -22.830 -7.347 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.871 -20.962 -6.162 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.383 -23.121 -5.269 1.00 0.00 H new ATOM 0 HG22 THR A 15 -20.147 -24.387 -5.457 1.00 0.00 H new ATOM 0 HG23 THR A 15 -19.876 -23.041 -4.325 1.00 0.00 H new ATOM 230 N GLY A 16 -17.386 -20.908 -5.105 1.00 0.00 N ATOM 231 CA GLY A 16 -16.790 -20.277 -3.942 1.00 0.00 C ATOM 232 C GLY A 16 -16.936 -18.768 -3.963 1.00 0.00 C ATOM 233 O GLY A 16 -18.005 -18.245 -4.279 1.00 0.00 O ATOM 0 H GLY A 16 -17.696 -20.262 -5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -17.256 -20.672 -3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.732 -20.536 -3.894 1.00 0.00 H new ATOM 237 N ASP A 17 -15.861 -18.066 -3.623 1.00 0.00 N ATOM 238 CA ASP A 17 -15.874 -16.608 -3.603 1.00 0.00 C ATOM 239 C ASP A 17 -16.863 -16.088 -2.564 1.00 0.00 C ATOM 240 O ASP A 17 -18.075 -16.119 -2.775 1.00 0.00 O ATOM 241 CB ASP A 17 -16.233 -16.061 -4.984 1.00 0.00 C ATOM 242 CG ASP A 17 -15.021 -15.542 -5.734 1.00 0.00 C ATOM 243 OD1 ASP A 17 -14.116 -16.349 -6.030 1.00 0.00 O ATOM 244 OD2 ASP A 17 -14.979 -14.327 -6.025 1.00 0.00 O ATOM 0 H ASP A 17 -14.969 -18.483 -3.357 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.876 -16.264 -3.333 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -16.710 -16.846 -5.570 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.961 -15.257 -4.875 1.00 0.00 H new ATOM 249 N ASP A 18 -16.336 -15.611 -1.441 1.00 0.00 N ATOM 250 CA ASP A 18 -17.173 -15.083 -0.369 1.00 0.00 C ATOM 251 C ASP A 18 -16.436 -13.999 0.410 1.00 0.00 C ATOM 252 O ASP A 18 -15.206 -13.988 0.465 1.00 0.00 O ATOM 253 CB ASP A 18 -17.598 -16.209 0.576 1.00 0.00 C ATOM 254 CG ASP A 18 -19.085 -16.495 0.502 1.00 0.00 C ATOM 255 OD1 ASP A 18 -19.575 -16.799 -0.604 1.00 0.00 O ATOM 256 OD2 ASP A 18 -19.757 -16.413 1.551 1.00 0.00 O ATOM 0 H ASP A 18 -15.335 -15.579 -1.250 1.00 0.00 H new ATOM 0 HA ASP A 18 -18.063 -14.641 -0.818 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -17.044 -17.115 0.330 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -17.333 -15.941 1.599 1.00 0.00 H new ATOM 261 N GLU A 19 -17.196 -13.088 1.012 1.00 0.00 N ATOM 262 CA GLU A 19 -16.615 -12.000 1.787 1.00 0.00 C ATOM 263 C GLU A 19 -15.970 -12.526 3.066 1.00 0.00 C ATOM 264 O GLU A 19 -16.644 -12.738 4.074 1.00 0.00 O ATOM 265 CB GLU A 19 -17.684 -10.962 2.131 1.00 0.00 C ATOM 266 CG GLU A 19 -17.116 -9.600 2.496 1.00 0.00 C ATOM 267 CD GLU A 19 -18.119 -8.479 2.305 1.00 0.00 C ATOM 268 OE1 GLU A 19 -19.334 -8.742 2.428 1.00 0.00 O ATOM 269 OE2 GLU A 19 -17.690 -7.338 2.031 1.00 0.00 O ATOM 0 H GLU A 19 -18.215 -13.083 0.977 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.843 -11.528 1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -18.356 -10.850 1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.283 -11.332 2.964 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.787 -9.615 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.235 -9.402 1.885 1.00 0.00 H new ATOM 276 N THR A 20 -14.657 -12.734 3.018 1.00 0.00 N ATOM 277 CA THR A 20 -13.920 -13.238 4.170 1.00 0.00 C ATOM 278 C THR A 20 -13.222 -12.105 4.913 1.00 0.00 C ATOM 279 O THR A 20 -12.947 -12.210 6.108 1.00 0.00 O ATOM 280 CB THR A 20 -12.871 -14.285 3.752 1.00 0.00 C ATOM 281 OG1 THR A 20 -13.430 -15.179 2.782 1.00 0.00 O ATOM 282 CG2 THR A 20 -12.387 -15.076 4.958 1.00 0.00 C ATOM 0 H THR A 20 -14.083 -12.561 2.193 1.00 0.00 H new ATOM 0 HA THR A 20 -14.648 -13.709 4.830 1.00 0.00 H new ATOM 0 HB THR A 20 -12.021 -13.761 3.315 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.756 -15.841 2.520 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.647 -15.810 4.639 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.936 -14.397 5.682 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.231 -15.589 5.419 1.00 0.00 H new ATOM 290 N ALA A 21 -12.937 -11.021 4.198 1.00 0.00 N ATOM 291 CA ALA A 21 -12.274 -9.867 4.792 1.00 0.00 C ATOM 292 C ALA A 21 -10.871 -10.226 5.268 1.00 0.00 C ATOM 293 O ALA A 21 -10.400 -11.344 5.061 1.00 0.00 O ATOM 294 CB ALA A 21 -13.100 -9.318 5.946 1.00 0.00 C ATOM 0 H ALA A 21 -13.155 -10.918 3.207 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.185 -9.097 4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.592 -8.457 6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.081 -9.014 5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.220 -10.089 6.707 1.00 0.00 H new ATOM 300 N THR A 22 -10.204 -9.267 5.905 1.00 0.00 N ATOM 301 CA THR A 22 -8.854 -9.483 6.408 1.00 0.00 C ATOM 302 C THR A 22 -8.370 -8.283 7.216 1.00 0.00 C ATOM 303 O THR A 22 -8.835 -7.161 7.017 1.00 0.00 O ATOM 304 CB THR A 22 -7.861 -9.744 5.259 1.00 0.00 C ATOM 305 OG1 THR A 22 -6.577 -10.094 5.790 1.00 0.00 O ATOM 306 CG2 THR A 22 -7.731 -8.522 4.366 1.00 0.00 C ATOM 0 H THR A 22 -10.577 -8.335 6.084 1.00 0.00 H new ATOM 0 HA THR A 22 -8.894 -10.361 7.052 1.00 0.00 H new ATOM 0 HB THR A 22 -8.243 -10.571 4.660 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.952 -10.260 5.053 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.025 -8.732 3.563 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.704 -8.278 3.939 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.371 -7.678 4.954 1.00 0.00 H new ATOM 314 N SER A 23 -7.434 -8.528 8.128 1.00 0.00 N ATOM 315 CA SER A 23 -6.892 -7.467 8.969 1.00 0.00 C ATOM 316 C SER A 23 -6.111 -6.458 8.134 1.00 0.00 C ATOM 317 O SER A 23 -6.155 -6.486 6.904 1.00 0.00 O ATOM 318 CB SER A 23 -5.987 -8.060 10.051 1.00 0.00 C ATOM 319 OG SER A 23 -6.228 -9.445 10.215 1.00 0.00 O ATOM 0 H SER A 23 -7.036 -9.451 8.303 1.00 0.00 H new ATOM 0 HA SER A 23 -7.726 -6.950 9.444 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.943 -7.899 9.784 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.158 -7.544 10.996 1.00 0.00 H new ATOM 0 HG SER A 23 -5.636 -9.800 10.911 1.00 0.00 H new ATOM 325 N ASN A 24 -5.396 -5.565 8.811 1.00 0.00 N ATOM 326 CA ASN A 24 -4.605 -4.545 8.131 1.00 0.00 C ATOM 327 C ASN A 24 -3.700 -5.172 7.075 1.00 0.00 C ATOM 328 O ASN A 24 -2.959 -6.115 7.357 1.00 0.00 O ATOM 329 CB ASN A 24 -3.763 -3.765 9.144 1.00 0.00 C ATOM 330 CG ASN A 24 -2.580 -4.568 9.651 1.00 0.00 C ATOM 331 OD1 ASN A 24 -2.700 -5.333 10.608 1.00 0.00 O ATOM 332 ND2 ASN A 24 -1.429 -4.395 9.011 1.00 0.00 N ATOM 0 H ASN A 24 -5.348 -5.527 9.829 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.291 -3.859 7.634 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.404 -2.845 8.682 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.390 -3.475 9.987 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.598 -4.907 9.308 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.376 -3.750 8.222 1.00 0.00 H new ATOM 339 N TYR A 25 -3.765 -4.642 5.859 1.00 0.00 N ATOM 340 CA TYR A 25 -2.953 -5.150 4.760 1.00 0.00 C ATOM 341 C TYR A 25 -1.653 -4.361 4.632 1.00 0.00 C ATOM 342 O TYR A 25 -0.654 -4.870 4.124 1.00 0.00 O ATOM 343 CB TYR A 25 -3.736 -5.082 3.447 1.00 0.00 C ATOM 344 CG TYR A 25 -3.800 -6.402 2.712 1.00 0.00 C ATOM 345 CD1 TYR A 25 -2.645 -7.021 2.251 1.00 0.00 C ATOM 346 CD2 TYR A 25 -5.017 -7.032 2.480 1.00 0.00 C ATOM 347 CE1 TYR A 25 -2.700 -8.226 1.577 1.00 0.00 C ATOM 348 CE2 TYR A 25 -5.082 -8.238 1.809 1.00 0.00 C ATOM 349 CZ TYR A 25 -3.920 -8.831 1.360 1.00 0.00 C ATOM 350 OH TYR A 25 -3.979 -10.033 0.692 1.00 0.00 O ATOM 0 H TYR A 25 -4.372 -3.861 5.609 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.705 -6.190 4.975 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.750 -4.742 3.656 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.277 -4.336 2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.687 -6.552 2.422 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.928 -6.570 2.831 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.792 -8.691 1.222 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.036 -8.713 1.637 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.912 -10.324 0.624 1.00 0.00 H new ATOM 360 N ILE A 26 -1.677 -3.117 5.097 1.00 0.00 N ATOM 361 CA ILE A 26 -0.501 -2.257 5.037 1.00 0.00 C ATOM 362 C ILE A 26 -0.502 -1.244 6.176 1.00 0.00 C ATOM 363 O ILE A 26 -1.446 -0.467 6.330 1.00 0.00 O ATOM 364 CB ILE A 26 -0.424 -1.504 3.695 1.00 0.00 C ATOM 365 CG1 ILE A 26 -1.799 -0.954 3.313 1.00 0.00 C ATOM 366 CG2 ILE A 26 0.109 -2.421 2.603 1.00 0.00 C ATOM 367 CD1 ILE A 26 -1.737 0.215 2.354 1.00 0.00 C ATOM 0 H ILE A 26 -2.497 -2.682 5.519 1.00 0.00 H new ATOM 0 HA ILE A 26 0.370 -2.905 5.132 1.00 0.00 H new ATOM 0 HB ILE A 26 0.263 -0.665 3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.388 -1.752 2.862 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.322 -0.644 4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.158 -1.875 1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.106 -2.767 2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.555 -3.278 2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.748 0.553 2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.175 1.030 2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.243 -0.096 1.433 1.00 0.00 H new ATOM 379 N HIS A 27 0.562 -1.257 6.973 1.00 0.00 N ATOM 380 CA HIS A 27 0.685 -0.337 8.098 1.00 0.00 C ATOM 381 C HIS A 27 1.409 0.939 7.679 1.00 0.00 C ATOM 382 O HIS A 27 2.377 0.895 6.918 1.00 0.00 O ATOM 383 CB HIS A 27 1.434 -1.007 9.251 1.00 0.00 C ATOM 384 CG HIS A 27 1.251 -0.313 10.566 1.00 0.00 C ATOM 385 ND1 HIS A 27 1.666 0.980 10.799 1.00 0.00 N ATOM 386 CD2 HIS A 27 0.691 -0.742 11.722 1.00 0.00 C ATOM 387 CE1 HIS A 27 1.371 1.317 12.043 1.00 0.00 C ATOM 388 NE2 HIS A 27 0.779 0.289 12.623 1.00 0.00 N ATOM 0 H HIS A 27 1.351 -1.894 6.861 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.318 -0.072 8.431 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.095 -2.039 9.343 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.497 -1.041 9.012 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.256 -1.714 11.901 1.00 0.00 H new ATOM 0 HE1 HIS A 27 1.579 2.270 12.506 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.442 0.265 13.585 1.00 0.00 H new ATOM 396 N ILE A 28 0.934 2.075 8.180 1.00 0.00 N ATOM 397 CA ILE A 28 1.535 3.362 7.858 1.00 0.00 C ATOM 398 C ILE A 28 1.501 4.301 9.059 1.00 0.00 C ATOM 399 O ILE A 28 0.435 4.746 9.482 1.00 0.00 O ATOM 400 CB ILE A 28 0.819 4.037 6.673 1.00 0.00 C ATOM 401 CG1 ILE A 28 0.286 2.982 5.702 1.00 0.00 C ATOM 402 CG2 ILE A 28 1.764 4.994 5.959 1.00 0.00 C ATOM 403 CD1 ILE A 28 -0.366 3.569 4.471 1.00 0.00 C ATOM 0 H ILE A 28 0.134 2.129 8.811 1.00 0.00 H new ATOM 0 HA ILE A 28 2.571 3.166 7.582 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.026 4.609 7.056 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.107 2.335 5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.437 2.354 6.222 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.244 5.463 5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.099 5.762 6.656 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.627 4.442 5.585 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.720 2.764 3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.209 4.193 4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.360 4.174 3.928 1.00 0.00 H new ATOM 415 N ARG A 29 2.677 4.598 9.605 1.00 0.00 N ATOM 416 CA ARG A 29 2.782 5.484 10.758 1.00 0.00 C ATOM 417 C ARG A 29 3.697 6.666 10.452 1.00 0.00 C ATOM 418 O ARG A 29 4.841 6.486 10.033 1.00 0.00 O ATOM 419 CB ARG A 29 3.310 4.716 11.972 1.00 0.00 C ATOM 420 CG ARG A 29 3.620 5.604 13.165 1.00 0.00 C ATOM 421 CD ARG A 29 5.096 5.965 13.222 1.00 0.00 C ATOM 422 NE ARG A 29 5.868 4.991 13.988 1.00 0.00 N ATOM 423 CZ ARG A 29 5.795 4.871 15.309 1.00 0.00 C ATOM 424 NH1 ARG A 29 4.990 5.659 16.007 1.00 0.00 N ATOM 425 NH2 ARG A 29 6.531 3.960 15.935 1.00 0.00 N ATOM 0 H ARG A 29 3.569 4.238 9.267 1.00 0.00 H new ATOM 0 HA ARG A 29 1.786 5.866 10.984 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.573 3.969 12.267 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.213 4.177 11.686 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.024 6.515 13.107 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.333 5.093 14.084 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.494 6.027 12.209 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.211 6.952 13.670 1.00 0.00 H new ATOM 0 HE ARG A 29 6.498 4.369 13.481 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.424 6.361 15.530 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.937 5.564 17.021 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.153 3.352 15.402 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.475 3.868 16.949 1.00 0.00 H new ATOM 439 N ILE A 30 3.186 7.873 10.666 1.00 0.00 N ATOM 440 CA ILE A 30 3.958 9.085 10.414 1.00 0.00 C ATOM 441 C ILE A 30 4.757 9.493 11.646 1.00 0.00 C ATOM 442 O ILE A 30 4.311 9.306 12.778 1.00 0.00 O ATOM 443 CB ILE A 30 3.048 10.255 9.995 1.00 0.00 C ATOM 444 CG1 ILE A 30 1.993 10.520 11.072 1.00 0.00 C ATOM 445 CG2 ILE A 30 2.385 9.959 8.657 1.00 0.00 C ATOM 446 CD1 ILE A 30 2.141 11.866 11.744 1.00 0.00 C ATOM 0 H ILE A 30 2.241 8.039 11.013 1.00 0.00 H new ATOM 0 HA ILE A 30 4.644 8.859 9.598 1.00 0.00 H new ATOM 0 HB ILE A 30 3.660 11.150 9.884 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.002 10.454 10.622 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.053 9.737 11.828 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.745 10.795 8.375 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.151 9.815 7.895 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.783 9.054 8.741 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.360 11.985 12.495 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.118 11.928 12.223 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.051 12.656 10.999 1.00 0.00 H new ATOM 458 N GLN A 31 5.942 10.052 11.418 1.00 0.00 N ATOM 459 CA GLN A 31 6.803 10.488 12.510 1.00 0.00 C ATOM 460 C GLN A 31 7.565 11.753 12.131 1.00 0.00 C ATOM 461 O GLN A 31 8.733 11.694 11.748 1.00 0.00 O ATOM 462 CB GLN A 31 7.787 9.378 12.885 1.00 0.00 C ATOM 463 CG GLN A 31 8.467 8.738 11.687 1.00 0.00 C ATOM 464 CD GLN A 31 9.822 8.152 12.027 1.00 0.00 C ATOM 465 OE1 GLN A 31 9.978 6.934 12.135 1.00 0.00 O ATOM 466 NE2 GLN A 31 10.815 9.017 12.199 1.00 0.00 N ATOM 0 H GLN A 31 6.327 10.213 10.487 1.00 0.00 H new ATOM 0 HA GLN A 31 6.172 10.711 13.370 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.549 9.788 13.548 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.257 8.608 13.446 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.826 7.952 11.288 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.585 9.483 10.901 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.643 10.017 12.100 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.750 8.681 12.430 1.00 0.00 H new ATOM 475 N GLN A 32 6.895 12.897 12.240 1.00 0.00 N ATOM 476 CA GLN A 32 7.510 14.177 11.907 1.00 0.00 C ATOM 477 C GLN A 32 8.332 14.705 13.078 1.00 0.00 C ATOM 478 O GLN A 32 7.894 14.660 14.227 1.00 0.00 O ATOM 479 CB GLN A 32 6.438 15.196 11.519 1.00 0.00 C ATOM 480 CG GLN A 32 6.084 15.174 10.040 1.00 0.00 C ATOM 481 CD GLN A 32 5.854 16.560 9.475 1.00 0.00 C ATOM 482 OE1 GLN A 32 6.694 17.450 9.619 1.00 0.00 O ATOM 483 NE2 GLN A 32 4.711 16.754 8.828 1.00 0.00 N ATOM 0 H GLN A 32 5.927 12.963 12.556 1.00 0.00 H new ATOM 0 HA GLN A 32 8.177 14.023 11.059 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.538 15.004 12.102 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.784 16.194 11.786 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.887 14.688 9.485 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.187 14.573 9.894 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.043 15.989 8.732 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.501 17.668 8.427 1.00 0.00 H new ATOM 492 N ARG A 33 9.526 15.208 12.777 1.00 0.00 N ATOM 493 CA ARG A 33 10.410 15.744 13.805 1.00 0.00 C ATOM 494 C ARG A 33 10.453 17.268 13.743 1.00 0.00 C ATOM 495 O ARG A 33 10.076 17.869 12.738 1.00 0.00 O ATOM 496 CB ARG A 33 11.821 15.176 13.641 1.00 0.00 C ATOM 497 CG ARG A 33 11.870 13.657 13.639 1.00 0.00 C ATOM 498 CD ARG A 33 13.250 13.145 14.017 1.00 0.00 C ATOM 499 NE ARG A 33 13.223 11.738 14.409 1.00 0.00 N ATOM 500 CZ ARG A 33 14.272 11.093 14.907 1.00 0.00 C ATOM 501 NH1 ARG A 33 15.426 11.726 15.074 1.00 0.00 N ATOM 502 NH2 ARG A 33 14.170 9.812 15.241 1.00 0.00 N ATOM 0 H ARG A 33 9.902 15.255 11.830 1.00 0.00 H new ATOM 0 HA ARG A 33 10.018 15.448 14.778 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.246 15.546 12.708 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.450 15.550 14.449 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.131 13.267 14.339 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.600 13.284 12.651 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.928 13.273 13.173 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.646 13.743 14.838 1.00 0.00 H new ATOM 0 HE ARG A 33 12.350 11.222 14.294 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.509 12.710 14.820 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.230 11.228 15.457 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.285 9.321 15.115 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.977 9.319 15.623 1.00 0.00 H new ATOM 516 N ASN A 34 10.914 17.887 14.825 1.00 0.00 N ATOM 517 CA ASN A 34 11.006 19.340 14.893 1.00 0.00 C ATOM 518 C ASN A 34 11.873 19.886 13.764 1.00 0.00 C ATOM 519 O ASN A 34 13.100 19.805 13.813 1.00 0.00 O ATOM 520 CB ASN A 34 11.579 19.772 16.245 1.00 0.00 C ATOM 521 CG ASN A 34 10.547 19.717 17.355 1.00 0.00 C ATOM 522 OD1 ASN A 34 9.739 20.630 17.514 1.00 0.00 O ATOM 523 ND2 ASN A 34 10.571 18.638 18.131 1.00 0.00 N ATOM 0 H ASN A 34 11.230 17.405 15.666 1.00 0.00 H new ATOM 0 HA ASN A 34 10.001 19.747 14.783 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.420 19.128 16.502 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.968 20.787 16.164 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.901 18.544 18.894 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.259 17.904 17.963 1.00 0.00 H new ATOM 530 N GLY A 35 11.225 20.441 12.743 1.00 0.00 N ATOM 531 CA GLY A 35 11.952 20.992 11.614 1.00 0.00 C ATOM 532 C GLY A 35 11.211 20.815 10.305 1.00 0.00 C ATOM 533 O GLY A 35 9.989 20.951 10.252 1.00 0.00 O ATOM 0 H GLY A 35 10.210 20.519 12.678 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.132 22.053 11.785 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.927 20.510 11.544 1.00 0.00 H new ATOM 537 N ARG A 36 11.951 20.511 9.244 1.00 0.00 N ATOM 538 CA ARG A 36 11.357 20.319 7.926 1.00 0.00 C ATOM 539 C ARG A 36 11.442 18.856 7.500 1.00 0.00 C ATOM 540 O ARG A 36 10.611 18.373 6.732 1.00 0.00 O ATOM 541 CB ARG A 36 12.056 21.203 6.893 1.00 0.00 C ATOM 542 CG ARG A 36 11.362 21.227 5.541 1.00 0.00 C ATOM 543 CD ARG A 36 12.097 22.116 4.552 1.00 0.00 C ATOM 544 NE ARG A 36 12.140 23.508 4.992 1.00 0.00 N ATOM 545 CZ ARG A 36 12.756 24.473 4.319 1.00 0.00 C ATOM 546 NH1 ARG A 36 13.380 24.200 3.182 1.00 0.00 N ATOM 547 NH2 ARG A 36 12.749 25.717 4.786 1.00 0.00 N ATOM 0 H ARG A 36 12.964 20.392 9.271 1.00 0.00 H new ATOM 0 HA ARG A 36 10.306 20.603 7.984 1.00 0.00 H new ATOM 0 HB2 ARG A 36 12.116 22.221 7.279 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.079 20.852 6.760 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.301 20.213 5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.339 21.584 5.662 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.114 21.747 4.419 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.607 22.058 3.580 1.00 0.00 H new ATOM 0 HE ARG A 36 11.671 23.752 5.864 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.388 23.246 2.821 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.852 24.944 2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.271 25.931 5.661 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.222 26.458 4.269 1.00 0.00 H new ATOM 561 N LYS A 37 12.454 18.157 8.004 1.00 0.00 N ATOM 562 CA LYS A 37 12.648 16.749 7.678 1.00 0.00 C ATOM 563 C LYS A 37 11.379 15.947 7.949 1.00 0.00 C ATOM 564 O LYS A 37 10.787 16.045 9.022 1.00 0.00 O ATOM 565 CB LYS A 37 13.811 16.173 8.487 1.00 0.00 C ATOM 566 CG LYS A 37 14.985 15.725 7.633 1.00 0.00 C ATOM 567 CD LYS A 37 16.032 16.818 7.509 1.00 0.00 C ATOM 568 CE LYS A 37 15.999 17.468 6.133 1.00 0.00 C ATOM 569 NZ LYS A 37 16.970 18.592 6.027 1.00 0.00 N ATOM 0 H LYS A 37 13.152 18.543 8.640 1.00 0.00 H new ATOM 0 HA LYS A 37 12.881 16.677 6.616 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.156 16.925 9.197 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.452 15.325 9.070 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.437 14.835 8.072 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.629 15.446 6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.862 17.575 8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.021 16.398 7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.225 16.720 5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.994 17.836 5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.917 19.008 5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.740 19.318 6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.933 18.236 6.196 1.00 0.00 H new ATOM 583 N THR A 38 10.968 15.150 6.966 1.00 0.00 N ATOM 584 CA THR A 38 9.770 14.330 7.098 1.00 0.00 C ATOM 585 C THR A 38 10.113 12.845 7.068 1.00 0.00 C ATOM 586 O THR A 38 10.885 12.395 6.220 1.00 0.00 O ATOM 587 CB THR A 38 8.754 14.635 5.982 1.00 0.00 C ATOM 588 OG1 THR A 38 9.353 15.480 4.993 1.00 0.00 O ATOM 589 CG2 THR A 38 7.513 15.307 6.548 1.00 0.00 C ATOM 0 H THR A 38 11.447 15.056 6.071 1.00 0.00 H new ATOM 0 HA THR A 38 9.324 14.576 8.061 1.00 0.00 H new ATOM 0 HB THR A 38 8.458 13.692 5.522 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.713 15.640 4.268 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.810 15.512 5.741 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.044 14.648 7.279 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.794 16.243 7.031 1.00 0.00 H new ATOM 597 N LEU A 39 9.536 12.090 7.994 1.00 0.00 N ATOM 598 CA LEU A 39 9.779 10.653 8.071 1.00 0.00 C ATOM 599 C LEU A 39 8.467 9.878 8.114 1.00 0.00 C ATOM 600 O LEU A 39 7.476 10.343 8.682 1.00 0.00 O ATOM 601 CB LEU A 39 10.619 10.324 9.308 1.00 0.00 C ATOM 602 CG LEU A 39 12.077 10.784 9.272 1.00 0.00 C ATOM 603 CD1 LEU A 39 12.303 11.921 10.257 1.00 0.00 C ATOM 604 CD2 LEU A 39 13.010 9.620 9.572 1.00 0.00 C ATOM 0 H LEU A 39 8.896 12.448 8.703 1.00 0.00 H new ATOM 0 HA LEU A 39 10.325 10.355 7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.139 10.772 10.178 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.603 9.244 9.456 1.00 0.00 H new ATOM 0 HG LEU A 39 12.298 11.151 8.270 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.346 12.235 10.217 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.661 12.762 9.996 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.064 11.582 11.265 1.00 0.00 H new ATOM 0 HD21 LEU A 39 14.044 9.965 9.542 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.789 9.222 10.562 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.867 8.838 8.827 1.00 0.00 H new ATOM 616 N THR A 40 8.464 8.694 7.511 1.00 0.00 N ATOM 617 CA THR A 40 7.274 7.854 7.479 1.00 0.00 C ATOM 618 C THR A 40 7.642 6.375 7.510 1.00 0.00 C ATOM 619 O THR A 40 8.524 5.929 6.775 1.00 0.00 O ATOM 620 CB THR A 40 6.421 8.133 6.226 1.00 0.00 C ATOM 621 OG1 THR A 40 7.205 8.819 5.244 1.00 0.00 O ATOM 622 CG2 THR A 40 5.197 8.964 6.579 1.00 0.00 C ATOM 0 H THR A 40 9.274 8.295 7.037 1.00 0.00 H new ATOM 0 HA THR A 40 6.692 8.099 8.367 1.00 0.00 H new ATOM 0 HB THR A 40 6.086 7.178 5.820 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.657 8.991 4.450 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.610 9.148 5.679 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.588 8.425 7.305 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.514 9.915 7.006 1.00 0.00 H new ATOM 630 N THR A 41 6.962 5.617 8.366 1.00 0.00 N ATOM 631 CA THR A 41 7.219 4.189 8.492 1.00 0.00 C ATOM 632 C THR A 41 6.140 3.372 7.790 1.00 0.00 C ATOM 633 O THR A 41 4.995 3.809 7.672 1.00 0.00 O ATOM 634 CB THR A 41 7.292 3.760 9.970 1.00 0.00 C ATOM 635 OG1 THR A 41 6.289 4.445 10.729 1.00 0.00 O ATOM 636 CG2 THR A 41 8.667 4.057 10.551 1.00 0.00 C ATOM 0 H THR A 41 6.229 5.970 8.982 1.00 0.00 H new ATOM 0 HA THR A 41 8.182 3.998 8.018 1.00 0.00 H new ATOM 0 HB THR A 41 7.116 2.686 10.024 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.543 4.687 10.142 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.696 3.746 11.595 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.425 3.511 9.989 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.866 5.127 10.485 1.00 0.00 H new ATOM 644 N VAL A 42 6.511 2.182 7.328 1.00 0.00 N ATOM 645 CA VAL A 42 5.574 1.303 6.639 1.00 0.00 C ATOM 646 C VAL A 42 5.852 -0.160 6.966 1.00 0.00 C ATOM 647 O VAL A 42 6.980 -0.530 7.289 1.00 0.00 O ATOM 648 CB VAL A 42 5.639 1.498 5.113 1.00 0.00 C ATOM 649 CG1 VAL A 42 4.489 0.772 4.433 1.00 0.00 C ATOM 650 CG2 VAL A 42 5.626 2.978 4.764 1.00 0.00 C ATOM 0 H VAL A 42 7.454 1.805 7.419 1.00 0.00 H new ATOM 0 HA VAL A 42 4.576 1.568 6.989 1.00 0.00 H new ATOM 0 HB VAL A 42 6.573 1.071 4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.551 0.921 3.355 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.549 -0.293 4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.542 1.167 4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.673 3.097 3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.709 3.432 5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.487 3.467 5.220 1.00 0.00 H new ATOM 660 N GLN A 43 4.815 -0.987 6.880 1.00 0.00 N ATOM 661 CA GLN A 43 4.948 -2.410 7.167 1.00 0.00 C ATOM 662 C GLN A 43 3.959 -3.227 6.343 1.00 0.00 C ATOM 663 O GLN A 43 3.010 -2.685 5.777 1.00 0.00 O ATOM 664 CB GLN A 43 4.727 -2.674 8.658 1.00 0.00 C ATOM 665 CG GLN A 43 5.241 -4.029 9.119 1.00 0.00 C ATOM 666 CD GLN A 43 5.196 -4.188 10.626 1.00 0.00 C ATOM 667 OE1 GLN A 43 4.660 -5.169 11.141 1.00 0.00 O ATOM 668 NE2 GLN A 43 5.759 -3.223 11.340 1.00 0.00 N ATOM 0 H GLN A 43 3.874 -0.696 6.614 1.00 0.00 H new ATOM 0 HA GLN A 43 5.958 -2.716 6.896 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.222 -1.892 9.234 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.661 -2.605 8.877 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.645 -4.816 8.656 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.266 -4.161 8.774 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.192 -2.428 10.871 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.759 -3.276 12.359 1.00 0.00 H new ATOM 677 N GLY A 44 4.188 -4.535 6.277 1.00 0.00 N ATOM 678 CA GLY A 44 3.310 -5.405 5.517 1.00 0.00 C ATOM 679 C GLY A 44 3.924 -5.848 4.205 1.00 0.00 C ATOM 680 O GLY A 44 3.247 -6.432 3.359 1.00 0.00 O ATOM 0 H GLY A 44 4.966 -5.008 6.737 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.067 -6.283 6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.372 -4.886 5.318 1.00 0.00 H new ATOM 684 N VAL A 45 5.212 -5.570 4.033 1.00 0.00 N ATOM 685 CA VAL A 45 5.918 -5.944 2.814 1.00 0.00 C ATOM 686 C VAL A 45 6.105 -7.454 2.726 1.00 0.00 C ATOM 687 O VAL A 45 6.510 -8.111 3.687 1.00 0.00 O ATOM 688 CB VAL A 45 7.298 -5.262 2.732 1.00 0.00 C ATOM 689 CG1 VAL A 45 8.017 -5.662 1.453 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.151 -3.752 2.822 1.00 0.00 C ATOM 0 H VAL A 45 5.788 -5.087 4.723 1.00 0.00 H new ATOM 0 HA VAL A 45 5.304 -5.608 1.979 1.00 0.00 H new ATOM 0 HB VAL A 45 7.900 -5.596 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.989 -5.171 1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.156 -6.743 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.422 -5.360 0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.135 -3.286 2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.531 -3.397 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.681 -3.488 3.770 1.00 0.00 H new ATOM 700 N PRO A 46 5.802 -8.021 1.549 1.00 0.00 N ATOM 701 CA PRO A 46 5.928 -9.462 1.307 1.00 0.00 C ATOM 702 C PRO A 46 7.383 -9.916 1.263 1.00 0.00 C ATOM 703 O PRO A 46 8.291 -9.153 1.590 1.00 0.00 O ATOM 704 CB PRO A 46 5.265 -9.650 -0.059 1.00 0.00 C ATOM 705 CG PRO A 46 5.397 -8.328 -0.730 1.00 0.00 C ATOM 706 CD PRO A 46 5.312 -7.300 0.362 1.00 0.00 C ATOM 0 HA PRO A 46 5.471 -10.052 2.102 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.757 -10.436 -0.633 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.219 -9.938 0.045 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.345 -8.254 -1.263 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.606 -8.183 -1.465 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.926 -6.427 0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.291 -6.945 0.501 1.00 0.00 H new ATOM 714 N GLU A 47 7.596 -11.163 0.857 1.00 0.00 N ATOM 715 CA GLU A 47 8.941 -11.718 0.771 1.00 0.00 C ATOM 716 C GLU A 47 9.591 -11.367 -0.566 1.00 0.00 C ATOM 717 O GLU A 47 10.810 -11.224 -0.656 1.00 0.00 O ATOM 718 CB GLU A 47 8.903 -13.238 0.948 1.00 0.00 C ATOM 719 CG GLU A 47 10.154 -13.808 1.595 1.00 0.00 C ATOM 720 CD GLU A 47 10.100 -13.760 3.109 1.00 0.00 C ATOM 721 OE1 GLU A 47 9.282 -14.495 3.698 1.00 0.00 O ATOM 722 OE2 GLU A 47 10.878 -12.985 3.706 1.00 0.00 O ATOM 0 H GLU A 47 6.855 -11.808 0.583 1.00 0.00 H new ATOM 0 HA GLU A 47 9.538 -11.281 1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.037 -13.503 1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.763 -13.705 -0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.287 -14.841 1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.024 -13.251 1.248 1.00 0.00 H new ATOM 729 N GLU A 48 8.766 -11.230 -1.600 1.00 0.00 N ATOM 730 CA GLU A 48 9.260 -10.898 -2.930 1.00 0.00 C ATOM 731 C GLU A 48 9.968 -9.546 -2.925 1.00 0.00 C ATOM 732 O GLU A 48 10.717 -9.221 -3.848 1.00 0.00 O ATOM 733 CB GLU A 48 8.107 -10.877 -3.936 1.00 0.00 C ATOM 734 CG GLU A 48 8.041 -12.117 -4.812 1.00 0.00 C ATOM 735 CD GLU A 48 6.624 -12.468 -5.223 1.00 0.00 C ATOM 736 OE1 GLU A 48 6.057 -11.748 -6.073 1.00 0.00 O ATOM 737 OE2 GLU A 48 6.084 -13.461 -4.697 1.00 0.00 O ATOM 0 H GLU A 48 7.754 -11.344 -1.541 1.00 0.00 H new ATOM 0 HA GLU A 48 9.977 -11.664 -3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.166 -10.774 -3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.207 -9.998 -4.572 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.645 -11.959 -5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.479 -12.959 -4.276 1.00 0.00 H new ATOM 744 N TYR A 49 9.726 -8.762 -1.881 1.00 0.00 N ATOM 745 CA TYR A 49 10.338 -7.444 -1.757 1.00 0.00 C ATOM 746 C TYR A 49 11.068 -7.306 -0.424 1.00 0.00 C ATOM 747 O TYR A 49 10.445 -7.130 0.622 1.00 0.00 O ATOM 748 CB TYR A 49 9.276 -6.352 -1.884 1.00 0.00 C ATOM 749 CG TYR A 49 9.707 -5.185 -2.744 1.00 0.00 C ATOM 750 CD1 TYR A 49 11.026 -4.748 -2.747 1.00 0.00 C ATOM 751 CD2 TYR A 49 8.795 -4.520 -3.555 1.00 0.00 C ATOM 752 CE1 TYR A 49 11.424 -3.683 -3.530 1.00 0.00 C ATOM 753 CE2 TYR A 49 9.185 -3.454 -4.344 1.00 0.00 C ATOM 754 CZ TYR A 49 10.500 -3.040 -4.328 1.00 0.00 C ATOM 755 OH TYR A 49 10.893 -1.978 -5.110 1.00 0.00 O ATOM 0 H TYR A 49 9.111 -9.016 -1.108 1.00 0.00 H new ATOM 0 HA TYR A 49 11.064 -7.331 -2.562 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.369 -6.786 -2.304 1.00 0.00 H new ATOM 0 HB3 TYR A 49 9.023 -5.985 -0.889 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.753 -5.250 -2.126 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.764 -4.842 -3.569 1.00 0.00 H new ATOM 0 HE1 TYR A 49 12.453 -3.355 -3.518 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.464 -2.948 -4.969 1.00 0.00 H new ATOM 0 HH TYR A 49 10.123 -1.638 -5.612 1.00 0.00 H new ATOM 765 N ASP A 50 12.394 -7.387 -0.472 1.00 0.00 N ATOM 766 CA ASP A 50 13.211 -7.269 0.731 1.00 0.00 C ATOM 767 C ASP A 50 13.511 -5.807 1.041 1.00 0.00 C ATOM 768 O ASP A 50 13.251 -4.921 0.225 1.00 0.00 O ATOM 769 CB ASP A 50 14.517 -8.048 0.563 1.00 0.00 C ATOM 770 CG ASP A 50 14.599 -9.245 1.488 1.00 0.00 C ATOM 771 OD1 ASP A 50 14.656 -9.042 2.719 1.00 0.00 O ATOM 772 OD2 ASP A 50 14.608 -10.388 0.982 1.00 0.00 O ATOM 0 H ASP A 50 12.925 -7.534 -1.330 1.00 0.00 H new ATOM 0 HA ASP A 50 12.651 -7.690 1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.606 -8.384 -0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.360 -7.385 0.756 1.00 0.00 H new ATOM 777 N LEU A 51 14.061 -5.560 2.226 1.00 0.00 N ATOM 778 CA LEU A 51 14.397 -4.205 2.646 1.00 0.00 C ATOM 779 C LEU A 51 15.560 -3.653 1.826 1.00 0.00 C ATOM 780 O LEU A 51 15.728 -2.439 1.708 1.00 0.00 O ATOM 781 CB LEU A 51 14.753 -4.185 4.134 1.00 0.00 C ATOM 782 CG LEU A 51 13.603 -3.886 5.095 1.00 0.00 C ATOM 783 CD1 LEU A 51 13.189 -2.425 4.996 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.418 -4.797 4.810 1.00 0.00 C ATOM 0 H LEU A 51 14.283 -6.281 2.912 1.00 0.00 H new ATOM 0 HA LEU A 51 13.525 -3.572 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.178 -5.153 4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.534 -3.440 4.290 1.00 0.00 H new ATOM 0 HG LEU A 51 13.947 -4.077 6.111 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.369 -2.232 5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.036 -1.789 5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.865 -2.207 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.609 -4.569 5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.075 -4.638 3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.720 -5.837 4.934 1.00 0.00 H new ATOM 796 N LYS A 52 16.357 -4.552 1.259 1.00 0.00 N ATOM 797 CA LYS A 52 17.500 -4.157 0.446 1.00 0.00 C ATOM 798 C LYS A 52 17.054 -3.717 -0.944 1.00 0.00 C ATOM 799 O LYS A 52 17.668 -2.842 -1.555 1.00 0.00 O ATOM 800 CB LYS A 52 18.495 -5.314 0.332 1.00 0.00 C ATOM 801 CG LYS A 52 19.872 -4.888 -0.146 1.00 0.00 C ATOM 802 CD LYS A 52 20.775 -6.086 -0.385 1.00 0.00 C ATOM 803 CE LYS A 52 22.060 -5.683 -1.092 1.00 0.00 C ATOM 804 NZ LYS A 52 23.242 -6.409 -0.552 1.00 0.00 N ATOM 0 H LYS A 52 16.232 -5.560 1.348 1.00 0.00 H new ATOM 0 HA LYS A 52 17.987 -3.314 0.935 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.591 -5.797 1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.095 -6.059 -0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.777 -4.314 -1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.327 -4.230 0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.015 -6.558 0.568 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.246 -6.828 -0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.966 -5.885 -2.159 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.213 -4.609 -0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 24.097 -6.106 -1.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 23.347 -6.196 0.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.108 -7.433 -0.679 1.00 0.00 H new ATOM 818 N ARG A 53 15.982 -4.328 -1.437 1.00 0.00 N ATOM 819 CA ARG A 53 15.453 -3.998 -2.755 1.00 0.00 C ATOM 820 C ARG A 53 14.713 -2.664 -2.727 1.00 0.00 C ATOM 821 O ARG A 53 14.743 -1.907 -3.696 1.00 0.00 O ATOM 822 CB ARG A 53 14.516 -5.104 -3.244 1.00 0.00 C ATOM 823 CG ARG A 53 14.114 -4.962 -4.702 1.00 0.00 C ATOM 824 CD ARG A 53 15.089 -5.683 -5.621 1.00 0.00 C ATOM 825 NE ARG A 53 14.695 -7.068 -5.860 1.00 0.00 N ATOM 826 CZ ARG A 53 13.749 -7.425 -6.721 1.00 0.00 C ATOM 827 NH1 ARG A 53 13.105 -6.504 -7.423 1.00 0.00 N ATOM 828 NH2 ARG A 53 13.447 -8.708 -6.882 1.00 0.00 N ATOM 0 H ARG A 53 15.463 -5.054 -0.944 1.00 0.00 H new ATOM 0 HA ARG A 53 16.293 -3.912 -3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.002 -6.069 -3.103 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.618 -5.106 -2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.111 -5.365 -4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.074 -3.906 -4.969 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.149 -5.154 -6.572 1.00 0.00 H new ATOM 0 HD3 ARG A 53 16.086 -5.661 -5.181 1.00 0.00 H new ATOM 0 HE ARG A 53 15.173 -7.802 -5.337 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.335 -5.518 -7.303 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.379 -6.781 -8.084 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.942 -9.420 -6.344 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.720 -8.982 -7.543 1.00 0.00 H new ATOM 842 N ILE A 54 14.050 -2.386 -1.609 1.00 0.00 N ATOM 843 CA ILE A 54 13.302 -1.145 -1.455 1.00 0.00 C ATOM 844 C ILE A 54 14.233 0.022 -1.143 1.00 0.00 C ATOM 845 O ILE A 54 13.971 1.161 -1.532 1.00 0.00 O ATOM 846 CB ILE A 54 12.247 -1.258 -0.339 1.00 0.00 C ATOM 847 CG1 ILE A 54 12.928 -1.398 1.023 1.00 0.00 C ATOM 848 CG2 ILE A 54 11.324 -2.438 -0.601 1.00 0.00 C ATOM 849 CD1 ILE A 54 11.955 -1.510 2.177 1.00 0.00 C ATOM 0 H ILE A 54 14.016 -3.003 -0.798 1.00 0.00 H new ATOM 0 HA ILE A 54 12.797 -0.961 -2.403 1.00 0.00 H new ATOM 0 HB ILE A 54 11.647 -0.348 -0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 54 13.568 -2.280 1.011 1.00 0.00 H new ATOM 0 HG13 ILE A 54 13.576 -0.537 1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.584 -2.505 0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.817 -2.299 -1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 54 11.909 -3.357 -0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 54 12.508 -1.606 3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 54 11.331 -0.617 2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.324 -2.388 2.037 1.00 0.00 H new ATOM 861 N LEU A 55 15.322 -0.269 -0.440 1.00 0.00 N ATOM 862 CA LEU A 55 16.294 0.757 -0.077 1.00 0.00 C ATOM 863 C LEU A 55 17.193 1.099 -1.261 1.00 0.00 C ATOM 864 O LEU A 55 17.676 2.225 -1.383 1.00 0.00 O ATOM 865 CB LEU A 55 17.145 0.284 1.103 1.00 0.00 C ATOM 866 CG LEU A 55 18.165 1.289 1.640 1.00 0.00 C ATOM 867 CD1 LEU A 55 18.363 1.102 3.137 1.00 0.00 C ATOM 868 CD2 LEU A 55 19.490 1.149 0.904 1.00 0.00 C ATOM 0 H LEU A 55 15.554 -1.206 -0.110 1.00 0.00 H new ATOM 0 HA LEU A 55 15.748 1.655 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.477 0.004 1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.677 -0.618 0.803 1.00 0.00 H new ATOM 0 HG LEU A 55 17.780 2.294 1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 55 19.092 1.826 3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.414 1.253 3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 55 18.725 0.093 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.204 1.872 1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 55 19.879 0.141 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.337 1.334 -0.159 1.00 0.00 H new ATOM 880 N LYS A 56 17.411 0.120 -2.133 1.00 0.00 N ATOM 881 CA LYS A 56 18.248 0.317 -3.311 1.00 0.00 C ATOM 882 C LYS A 56 17.479 1.042 -4.411 1.00 0.00 C ATOM 883 O LYS A 56 18.034 1.876 -5.126 1.00 0.00 O ATOM 884 CB LYS A 56 18.758 -1.028 -3.831 1.00 0.00 C ATOM 885 CG LYS A 56 19.640 -0.911 -5.061 1.00 0.00 C ATOM 886 CD LYS A 56 18.910 -1.359 -6.316 1.00 0.00 C ATOM 887 CE LYS A 56 18.968 -2.868 -6.486 1.00 0.00 C ATOM 888 NZ LYS A 56 18.210 -3.321 -7.684 1.00 0.00 N ATOM 0 H LYS A 56 17.020 -0.818 -2.046 1.00 0.00 H new ATOM 0 HA LYS A 56 19.099 0.933 -3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 56 19.318 -1.525 -3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 56 17.905 -1.664 -4.066 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.967 0.122 -5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 56 20.537 -1.515 -4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 56 17.870 -1.037 -6.267 1.00 0.00 H new ATOM 0 HD3 LYS A 56 19.353 -0.876 -7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.008 -3.184 -6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 56 18.562 -3.349 -5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 18.274 -4.356 -7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 17.213 -3.042 -7.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 18.613 -2.882 -8.536 1.00 0.00 H new ATOM 902 N VAL A 57 16.196 0.717 -4.541 1.00 0.00 N ATOM 903 CA VAL A 57 15.349 1.337 -5.552 1.00 0.00 C ATOM 904 C VAL A 57 14.935 2.744 -5.134 1.00 0.00 C ATOM 905 O VAL A 57 14.882 3.657 -5.958 1.00 0.00 O ATOM 906 CB VAL A 57 14.085 0.500 -5.817 1.00 0.00 C ATOM 907 CG1 VAL A 57 13.147 1.231 -6.766 1.00 0.00 C ATOM 908 CG2 VAL A 57 14.459 -0.867 -6.372 1.00 0.00 C ATOM 0 H VAL A 57 15.721 0.028 -3.958 1.00 0.00 H new ATOM 0 HA VAL A 57 15.938 1.391 -6.468 1.00 0.00 H new ATOM 0 HB VAL A 57 13.563 0.354 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.260 0.623 -6.941 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.853 2.184 -6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 57 13.655 1.411 -7.713 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.554 -1.446 -6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.004 -0.743 -7.308 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.087 -1.392 -5.653 1.00 0.00 H new ATOM 918 N LEU A 58 14.641 2.910 -3.850 1.00 0.00 N ATOM 919 CA LEU A 58 14.231 4.208 -3.321 1.00 0.00 C ATOM 920 C LEU A 58 15.398 5.190 -3.323 1.00 0.00 C ATOM 921 O LEU A 58 15.246 6.349 -3.708 1.00 0.00 O ATOM 922 CB LEU A 58 13.685 4.051 -1.900 1.00 0.00 C ATOM 923 CG LEU A 58 12.272 3.480 -1.783 1.00 0.00 C ATOM 924 CD1 LEU A 58 12.002 3.006 -0.363 1.00 0.00 C ATOM 925 CD2 LEU A 58 11.241 4.515 -2.207 1.00 0.00 C ATOM 0 H LEU A 58 14.678 2.164 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 58 13.446 4.604 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.363 3.406 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.702 5.027 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 58 12.192 2.622 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.991 2.603 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.719 2.230 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.102 3.845 0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.241 4.091 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.322 5.393 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.421 4.804 -3.242 1.00 0.00 H new ATOM 937 N LYS A 59 16.563 4.717 -2.895 1.00 0.00 N ATOM 938 CA LYS A 59 17.759 5.553 -2.851 1.00 0.00 C ATOM 939 C LYS A 59 18.248 5.876 -4.259 1.00 0.00 C ATOM 940 O LYS A 59 18.742 6.974 -4.518 1.00 0.00 O ATOM 941 CB LYS A 59 18.867 4.852 -2.064 1.00 0.00 C ATOM 942 CG LYS A 59 18.629 4.832 -0.564 1.00 0.00 C ATOM 943 CD LYS A 59 19.356 5.969 0.132 1.00 0.00 C ATOM 944 CE LYS A 59 20.855 5.717 0.193 1.00 0.00 C ATOM 945 NZ LYS A 59 21.637 6.930 -0.176 1.00 0.00 N ATOM 0 H LYS A 59 16.706 3.760 -2.573 1.00 0.00 H new ATOM 0 HA LYS A 59 17.501 6.487 -2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.962 3.827 -2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 59 19.815 5.350 -2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.560 4.906 -0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 59 18.965 3.879 -0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 59 19.164 6.903 -0.397 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.965 6.088 1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 59 21.129 5.400 1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 59 21.114 4.900 -0.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 22.654 6.717 -0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 21.394 7.218 -1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 21.410 7.703 0.482 1.00 0.00 H new ATOM 959 N LYS A 60 18.106 4.916 -5.166 1.00 0.00 N ATOM 960 CA LYS A 60 18.531 5.098 -6.548 1.00 0.00 C ATOM 961 C LYS A 60 17.512 5.927 -7.325 1.00 0.00 C ATOM 962 O LYS A 60 17.861 6.625 -8.278 1.00 0.00 O ATOM 963 CB LYS A 60 18.725 3.742 -7.229 1.00 0.00 C ATOM 964 CG LYS A 60 19.377 3.833 -8.596 1.00 0.00 C ATOM 965 CD LYS A 60 20.356 2.695 -8.827 1.00 0.00 C ATOM 966 CE LYS A 60 21.439 3.084 -9.821 1.00 0.00 C ATOM 967 NZ LYS A 60 20.892 3.268 -11.194 1.00 0.00 N ATOM 0 H LYS A 60 17.699 4.002 -4.968 1.00 0.00 H new ATOM 0 HA LYS A 60 19.481 5.632 -6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 60 19.335 3.107 -6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 60 17.755 3.254 -7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 60 18.608 3.814 -9.368 1.00 0.00 H new ATOM 0 HG3 LYS A 60 19.898 4.786 -8.688 1.00 0.00 H new ATOM 0 HD2 LYS A 60 20.815 2.411 -7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 60 19.819 1.821 -9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 60 21.917 4.007 -9.494 1.00 0.00 H new ATOM 0 HE3 LYS A 60 22.210 2.314 -9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 21.661 3.533 -11.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 20.458 2.380 -11.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 20.174 4.020 -11.184 1.00 0.00 H new ATOM 981 N ASP A 61 16.253 5.846 -6.912 1.00 0.00 N ATOM 982 CA ASP A 61 15.183 6.592 -7.566 1.00 0.00 C ATOM 983 C ASP A 61 15.307 8.085 -7.281 1.00 0.00 C ATOM 984 O ASP A 61 15.587 8.879 -8.179 1.00 0.00 O ATOM 985 CB ASP A 61 13.819 6.082 -7.102 1.00 0.00 C ATOM 986 CG ASP A 61 12.675 6.927 -7.627 1.00 0.00 C ATOM 987 OD1 ASP A 61 12.723 7.320 -8.811 1.00 0.00 O ATOM 988 OD2 ASP A 61 11.733 7.197 -6.853 1.00 0.00 O ATOM 0 H ASP A 61 15.947 5.271 -6.127 1.00 0.00 H new ATOM 0 HA ASP A 61 15.272 6.438 -8.641 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.688 5.052 -7.433 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.789 6.073 -6.012 1.00 0.00 H new ATOM 993 N PHE A 62 15.095 8.461 -6.025 1.00 0.00 N ATOM 994 CA PHE A 62 15.179 9.859 -5.620 1.00 0.00 C ATOM 995 C PHE A 62 15.852 9.991 -4.256 1.00 0.00 C ATOM 996 O PHE A 62 15.473 10.836 -3.445 1.00 0.00 O ATOM 997 CB PHE A 62 13.785 10.486 -5.576 1.00 0.00 C ATOM 998 CG PHE A 62 13.197 10.735 -6.937 1.00 0.00 C ATOM 999 CD1 PHE A 62 13.864 11.523 -7.859 1.00 0.00 C ATOM 1000 CD2 PHE A 62 11.978 10.180 -7.290 1.00 0.00 C ATOM 1001 CE1 PHE A 62 13.325 11.755 -9.112 1.00 0.00 C ATOM 1002 CE2 PHE A 62 11.434 10.406 -8.541 1.00 0.00 C ATOM 1003 CZ PHE A 62 12.109 11.194 -9.453 1.00 0.00 C ATOM 0 H PHE A 62 14.863 7.817 -5.269 1.00 0.00 H new ATOM 0 HA PHE A 62 15.783 10.388 -6.357 1.00 0.00 H new ATOM 0 HB2 PHE A 62 13.118 9.831 -5.015 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.837 11.430 -5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.816 11.962 -7.597 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.446 9.564 -6.580 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.854 12.373 -9.822 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.483 9.967 -8.805 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.687 11.371 -10.431 1.00 0.00 H new ATOM 1013 N ALA A 63 16.849 9.148 -4.010 1.00 0.00 N ATOM 1014 CA ALA A 63 17.574 9.171 -2.745 1.00 0.00 C ATOM 1015 C ALA A 63 16.614 9.124 -1.562 1.00 0.00 C ATOM 1016 O ALA A 63 16.635 10.003 -0.699 1.00 0.00 O ATOM 1017 CB ALA A 63 18.455 10.409 -2.664 1.00 0.00 C ATOM 0 H ALA A 63 17.173 8.441 -4.669 1.00 0.00 H new ATOM 0 HA ALA A 63 18.207 8.285 -2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.990 10.413 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.172 10.400 -3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.835 11.302 -2.735 1.00 0.00 H new ATOM 1023 N CYS A 64 15.776 8.094 -1.526 1.00 0.00 N ATOM 1024 CA CYS A 64 14.807 7.934 -0.448 1.00 0.00 C ATOM 1025 C CYS A 64 15.261 6.860 0.535 1.00 0.00 C ATOM 1026 O CYS A 64 15.011 5.673 0.332 1.00 0.00 O ATOM 1027 CB CYS A 64 13.434 7.574 -1.016 1.00 0.00 C ATOM 1028 SG CYS A 64 12.269 8.957 -1.061 1.00 0.00 S ATOM 0 H CYS A 64 15.748 7.357 -2.231 1.00 0.00 H new ATOM 0 HA CYS A 64 14.734 8.882 0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.561 7.187 -2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 64 13.005 6.770 -0.418 1.00 0.00 H new ATOM 0 HG CYS A 64 11.137 8.555 -1.559 1.00 0.00 H new ATOM 1034 N ASN A 65 15.931 7.287 1.601 1.00 0.00 N ATOM 1035 CA ASN A 65 16.422 6.360 2.615 1.00 0.00 C ATOM 1036 C ASN A 65 15.308 5.430 3.088 1.00 0.00 C ATOM 1037 O ASN A 65 14.217 5.879 3.438 1.00 0.00 O ATOM 1038 CB ASN A 65 16.996 7.131 3.805 1.00 0.00 C ATOM 1039 CG ASN A 65 18.512 7.170 3.792 1.00 0.00 C ATOM 1040 OD1 ASN A 65 19.170 6.130 3.745 1.00 0.00 O ATOM 1041 ND2 ASN A 65 19.074 8.372 3.834 1.00 0.00 N ATOM 0 H ASN A 65 16.146 8.267 1.785 1.00 0.00 H new ATOM 0 HA ASN A 65 17.210 5.755 2.167 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.609 8.150 3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.655 6.670 4.732 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.090 8.460 3.828 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.490 9.207 3.872 1.00 0.00 H new ATOM 1048 N GLY A 66 15.592 4.132 3.097 1.00 0.00 N ATOM 1049 CA GLY A 66 14.605 3.158 3.528 1.00 0.00 C ATOM 1050 C GLY A 66 15.217 2.035 4.341 1.00 0.00 C ATOM 1051 O GLY A 66 15.486 0.955 3.816 1.00 0.00 O ATOM 0 H GLY A 66 16.488 3.736 2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.841 3.658 4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.106 2.740 2.654 1.00 0.00 H new ATOM 1055 N ASN A 67 15.440 2.290 5.628 1.00 0.00 N ATOM 1056 CA ASN A 67 16.024 1.292 6.515 1.00 0.00 C ATOM 1057 C ASN A 67 14.939 0.515 7.251 1.00 0.00 C ATOM 1058 O ASN A 67 13.747 0.738 7.037 1.00 0.00 O ATOM 1059 CB ASN A 67 16.962 1.961 7.523 1.00 0.00 C ATOM 1060 CG ASN A 67 17.689 3.153 6.932 1.00 0.00 C ATOM 1061 OD1 ASN A 67 18.396 3.030 5.931 1.00 0.00 O ATOM 1062 ND2 ASN A 67 17.519 4.315 7.550 1.00 0.00 N ATOM 0 H ASN A 67 15.225 3.180 6.078 1.00 0.00 H new ATOM 0 HA ASN A 67 16.596 0.592 5.906 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.388 2.283 8.392 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.692 1.232 7.876 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.983 5.152 7.198 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.924 4.371 8.377 1.00 0.00 H new ATOM 1069 N ILE A 68 15.358 -0.399 8.121 1.00 0.00 N ATOM 1070 CA ILE A 68 14.421 -1.208 8.891 1.00 0.00 C ATOM 1071 C ILE A 68 14.605 -0.985 10.388 1.00 0.00 C ATOM 1072 O ILE A 68 15.715 -0.734 10.858 1.00 0.00 O ATOM 1073 CB ILE A 68 14.586 -2.707 8.581 1.00 0.00 C ATOM 1074 CG1 ILE A 68 13.401 -3.498 9.140 1.00 0.00 C ATOM 1075 CG2 ILE A 68 15.895 -3.226 9.156 1.00 0.00 C ATOM 1076 CD1 ILE A 68 12.073 -3.112 8.526 1.00 0.00 C ATOM 0 H ILE A 68 16.341 -0.597 8.310 1.00 0.00 H new ATOM 0 HA ILE A 68 13.418 -0.894 8.600 1.00 0.00 H new ATOM 0 HB ILE A 68 14.610 -2.839 7.499 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.574 -4.561 8.974 1.00 0.00 H new ATOM 0 HG13 ILE A 68 13.351 -3.348 10.218 1.00 0.00 H new ATOM 0 HG21 ILE A 68 15.997 -4.287 8.929 1.00 0.00 H new ATOM 0 HG22 ILE A 68 16.728 -2.679 8.715 1.00 0.00 H new ATOM 0 HG23 ILE A 68 15.899 -3.085 10.237 1.00 0.00 H new ATOM 0 HD11 ILE A 68 11.279 -3.713 8.969 1.00 0.00 H new ATOM 0 HD12 ILE A 68 11.878 -2.056 8.715 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.104 -3.289 7.451 1.00 0.00 H new ATOM 1088 N VAL A 69 13.509 -1.083 11.135 1.00 0.00 N ATOM 1089 CA VAL A 69 13.550 -0.896 12.580 1.00 0.00 C ATOM 1090 C VAL A 69 12.815 -2.021 13.300 1.00 0.00 C ATOM 1091 O VAL A 69 12.091 -2.802 12.682 1.00 0.00 O ATOM 1092 CB VAL A 69 12.928 0.453 12.989 1.00 0.00 C ATOM 1093 CG1 VAL A 69 13.539 0.950 14.290 1.00 0.00 C ATOM 1094 CG2 VAL A 69 13.105 1.478 11.880 1.00 0.00 C ATOM 0 H VAL A 69 12.582 -1.291 10.763 1.00 0.00 H new ATOM 0 HA VAL A 69 14.600 -0.907 12.871 1.00 0.00 H new ATOM 0 HB VAL A 69 11.860 0.308 13.150 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.087 1.904 14.563 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.355 0.222 15.080 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.613 1.081 14.161 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.660 2.425 12.185 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.168 1.623 11.684 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.615 1.122 10.974 1.00 0.00 H new ATOM 1104 N LYS A 70 13.006 -2.100 14.613 1.00 0.00 N ATOM 1105 CA LYS A 70 12.360 -3.128 15.420 1.00 0.00 C ATOM 1106 C LYS A 70 11.768 -2.529 16.691 1.00 0.00 C ATOM 1107 O LYS A 70 12.494 -2.041 17.556 1.00 0.00 O ATOM 1108 CB LYS A 70 13.364 -4.227 15.781 1.00 0.00 C ATOM 1109 CG LYS A 70 12.762 -5.356 16.599 1.00 0.00 C ATOM 1110 CD LYS A 70 13.746 -5.885 17.629 1.00 0.00 C ATOM 1111 CE LYS A 70 13.728 -5.045 18.897 1.00 0.00 C ATOM 1112 NZ LYS A 70 14.684 -5.560 19.916 1.00 0.00 N ATOM 0 H LYS A 70 13.603 -1.464 15.141 1.00 0.00 H new ATOM 0 HA LYS A 70 11.551 -3.562 14.832 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.785 -4.639 14.864 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.189 -3.785 16.340 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.862 -5.002 17.102 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.458 -6.166 15.935 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.500 -6.919 17.872 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.751 -5.887 17.207 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.979 -4.013 18.653 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.721 -5.038 19.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.642 -4.961 20.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.430 -6.536 20.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.648 -5.543 19.527 1.00 0.00 H new ATOM 1126 N ASP A 71 10.444 -2.573 16.799 1.00 0.00 N ATOM 1127 CA ASP A 71 9.754 -2.037 17.965 1.00 0.00 C ATOM 1128 C ASP A 71 9.261 -3.162 18.869 1.00 0.00 C ATOM 1129 O ASP A 71 9.131 -4.313 18.453 1.00 0.00 O ATOM 1130 CB ASP A 71 8.576 -1.162 17.532 1.00 0.00 C ATOM 1131 CG ASP A 71 8.984 0.278 17.290 1.00 0.00 C ATOM 1132 OD1 ASP A 71 10.151 0.509 16.913 1.00 0.00 O ATOM 1133 OD2 ASP A 71 8.135 1.175 17.478 1.00 0.00 O ATOM 0 H ASP A 71 9.828 -2.975 16.092 1.00 0.00 H new ATOM 0 HA ASP A 71 10.462 -1.427 18.526 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.139 -1.571 16.621 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.802 -1.194 18.299 1.00 0.00 H new ATOM 1138 N PRO A 72 8.979 -2.823 20.137 1.00 0.00 N ATOM 1139 CA PRO A 72 8.496 -3.793 21.125 1.00 0.00 C ATOM 1140 C PRO A 72 7.075 -4.262 20.833 1.00 0.00 C ATOM 1141 O PRO A 72 6.559 -5.158 21.499 1.00 0.00 O ATOM 1142 CB PRO A 72 8.539 -3.008 22.440 1.00 0.00 C ATOM 1143 CG PRO A 72 8.420 -1.579 22.033 1.00 0.00 C ATOM 1144 CD PRO A 72 9.110 -1.470 20.700 1.00 0.00 C ATOM 0 HA PRO A 72 9.099 -4.701 21.132 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.724 -3.300 23.102 1.00 0.00 H new ATOM 0 HB3 PRO A 72 9.469 -3.190 22.979 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.374 -1.280 21.957 1.00 0.00 H new ATOM 0 HG3 PRO A 72 8.886 -0.923 22.769 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.638 -0.722 20.063 1.00 0.00 H new ATOM 0 HD3 PRO A 72 10.155 -1.180 20.811 1.00 0.00 H new ATOM 1152 N GLU A 73 6.450 -3.650 19.831 1.00 0.00 N ATOM 1153 CA GLU A 73 5.088 -4.006 19.450 1.00 0.00 C ATOM 1154 C GLU A 73 5.090 -5.072 18.356 1.00 0.00 C ATOM 1155 O GLU A 73 4.289 -6.006 18.384 1.00 0.00 O ATOM 1156 CB GLU A 73 4.328 -2.769 18.971 1.00 0.00 C ATOM 1157 CG GLU A 73 2.826 -2.977 18.869 1.00 0.00 C ATOM 1158 CD GLU A 73 2.352 -3.108 17.436 1.00 0.00 C ATOM 1159 OE1 GLU A 73 2.110 -2.065 16.793 1.00 0.00 O ATOM 1160 OE2 GLU A 73 2.223 -4.254 16.955 1.00 0.00 O ATOM 0 H GLU A 73 6.865 -2.906 19.269 1.00 0.00 H new ATOM 0 HA GLU A 73 4.587 -4.412 20.329 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.526 -1.944 19.655 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.712 -2.473 17.995 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.549 -3.874 19.423 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.314 -2.139 19.342 1.00 0.00 H new ATOM 1167 N MET A 74 5.995 -4.920 17.395 1.00 0.00 N ATOM 1168 CA MET A 74 6.102 -5.869 16.292 1.00 0.00 C ATOM 1169 C MET A 74 7.554 -6.283 16.069 1.00 0.00 C ATOM 1170 O MET A 74 7.929 -7.426 16.327 1.00 0.00 O ATOM 1171 CB MET A 74 5.530 -5.259 15.010 1.00 0.00 C ATOM 1172 CG MET A 74 4.524 -6.155 14.307 1.00 0.00 C ATOM 1173 SD MET A 74 5.310 -7.430 13.303 1.00 0.00 S ATOM 1174 CE MET A 74 5.297 -8.813 14.440 1.00 0.00 C ATOM 0 H MET A 74 6.664 -4.151 17.357 1.00 0.00 H new ATOM 0 HA MET A 74 5.526 -6.757 16.552 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.052 -4.309 15.251 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.349 -5.039 14.325 1.00 0.00 H new ATOM 0 HG2 MET A 74 3.883 -6.628 15.051 1.00 0.00 H new ATOM 0 HG3 MET A 74 3.881 -5.545 13.673 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.585 -9.721 13.911 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.002 -8.625 15.250 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.296 -8.936 14.852 1.00 0.00 H new ATOM 1184 N GLY A 75 8.364 -5.346 15.588 1.00 0.00 N ATOM 1185 CA GLY A 75 9.765 -5.633 15.339 1.00 0.00 C ATOM 1186 C GLY A 75 10.076 -5.765 13.860 1.00 0.00 C ATOM 1187 O GLY A 75 10.937 -6.552 13.469 1.00 0.00 O ATOM 0 H GLY A 75 8.076 -4.393 15.366 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.377 -4.839 15.766 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.040 -6.556 15.849 1.00 0.00 H new ATOM 1191 N GLU A 76 9.371 -4.995 13.038 1.00 0.00 N ATOM 1192 CA GLU A 76 9.575 -5.033 11.595 1.00 0.00 C ATOM 1193 C GLU A 76 9.044 -3.760 10.937 1.00 0.00 C ATOM 1194 O GLU A 76 8.443 -3.809 9.863 1.00 0.00 O ATOM 1195 CB GLU A 76 8.883 -6.258 10.991 1.00 0.00 C ATOM 1196 CG GLU A 76 9.729 -6.985 9.957 1.00 0.00 C ATOM 1197 CD GLU A 76 10.942 -7.661 10.569 1.00 0.00 C ATOM 1198 OE1 GLU A 76 10.759 -8.521 11.455 1.00 0.00 O ATOM 1199 OE2 GLU A 76 12.073 -7.329 10.158 1.00 0.00 O ATOM 0 H GLU A 76 8.654 -4.338 13.346 1.00 0.00 H new ATOM 0 HA GLU A 76 10.647 -5.100 11.407 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.626 -6.952 11.792 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.947 -5.945 10.528 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.117 -7.732 9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.057 -6.276 9.197 1.00 0.00 H new ATOM 1206 N ILE A 77 9.273 -2.626 11.589 1.00 0.00 N ATOM 1207 CA ILE A 77 8.820 -1.342 11.068 1.00 0.00 C ATOM 1208 C ILE A 77 9.834 -0.756 10.091 1.00 0.00 C ATOM 1209 O ILE A 77 10.892 -0.274 10.495 1.00 0.00 O ATOM 1210 CB ILE A 77 8.573 -0.330 12.202 1.00 0.00 C ATOM 1211 CG1 ILE A 77 7.381 -0.768 13.056 1.00 0.00 C ATOM 1212 CG2 ILE A 77 8.339 1.060 11.630 1.00 0.00 C ATOM 1213 CD1 ILE A 77 7.728 -1.829 14.079 1.00 0.00 C ATOM 0 H ILE A 77 9.769 -2.570 12.478 1.00 0.00 H new ATOM 0 HA ILE A 77 7.881 -1.527 10.546 1.00 0.00 H new ATOM 0 HB ILE A 77 9.458 -0.296 12.837 1.00 0.00 H new ATOM 0 HG12 ILE A 77 6.974 0.102 13.571 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.596 -1.148 12.402 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.166 1.764 12.444 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.215 1.371 11.061 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.468 1.042 10.975 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.836 -2.091 14.648 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.107 -2.715 13.570 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.491 -1.445 14.757 1.00 0.00 H new ATOM 1225 N ILE A 78 9.501 -0.800 8.806 1.00 0.00 N ATOM 1226 CA ILE A 78 10.380 -0.271 7.771 1.00 0.00 C ATOM 1227 C ILE A 78 10.395 1.253 7.788 1.00 0.00 C ATOM 1228 O ILE A 78 9.423 1.897 7.399 1.00 0.00 O ATOM 1229 CB ILE A 78 9.956 -0.753 6.370 1.00 0.00 C ATOM 1230 CG1 ILE A 78 9.918 -2.282 6.323 1.00 0.00 C ATOM 1231 CG2 ILE A 78 10.906 -0.209 5.314 1.00 0.00 C ATOM 1232 CD1 ILE A 78 9.121 -2.829 5.161 1.00 0.00 C ATOM 0 H ILE A 78 8.629 -1.197 8.457 1.00 0.00 H new ATOM 0 HA ILE A 78 11.381 -0.645 7.987 1.00 0.00 H new ATOM 0 HB ILE A 78 8.955 -0.377 6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.938 -2.661 6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.492 -2.656 7.254 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.594 -0.558 4.330 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.888 0.881 5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.917 -0.560 5.519 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.137 -3.919 5.190 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.091 -2.479 5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.560 -2.485 4.225 1.00 0.00 H new ATOM 1244 N GLN A 79 11.508 1.823 8.242 1.00 0.00 N ATOM 1245 CA GLN A 79 11.649 3.273 8.309 1.00 0.00 C ATOM 1246 C GLN A 79 12.060 3.844 6.956 1.00 0.00 C ATOM 1247 O GLN A 79 13.016 3.374 6.338 1.00 0.00 O ATOM 1248 CB GLN A 79 12.681 3.657 9.373 1.00 0.00 C ATOM 1249 CG GLN A 79 14.019 2.956 9.203 1.00 0.00 C ATOM 1250 CD GLN A 79 15.081 3.492 10.141 1.00 0.00 C ATOM 1251 OE1 GLN A 79 15.752 2.730 10.839 1.00 0.00 O ATOM 1252 NE2 GLN A 79 15.242 4.810 10.164 1.00 0.00 N ATOM 0 H GLN A 79 12.323 1.304 8.568 1.00 0.00 H new ATOM 0 HA GLN A 79 10.681 3.695 8.581 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.838 4.735 9.342 1.00 0.00 H new ATOM 0 HB3 GLN A 79 12.279 3.422 10.359 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.890 1.888 9.378 1.00 0.00 H new ATOM 0 HG3 GLN A 79 14.357 3.071 8.173 1.00 0.00 H new ATOM 0 HE21 GLN A 79 14.665 5.405 9.569 1.00 0.00 H new ATOM 0 HE22 GLN A 79 15.943 5.228 10.776 1.00 0.00 H new ATOM 1261 N LEU A 80 11.330 4.856 6.501 1.00 0.00 N ATOM 1262 CA LEU A 80 11.619 5.491 5.220 1.00 0.00 C ATOM 1263 C LEU A 80 11.630 7.010 5.354 1.00 0.00 C ATOM 1264 O LEU A 80 10.607 7.622 5.663 1.00 0.00 O ATOM 1265 CB LEU A 80 10.584 5.067 4.174 1.00 0.00 C ATOM 1266 CG LEU A 80 10.516 5.928 2.912 1.00 0.00 C ATOM 1267 CD1 LEU A 80 10.606 5.055 1.668 1.00 0.00 C ATOM 1268 CD2 LEU A 80 9.238 6.751 2.896 1.00 0.00 C ATOM 0 H LEU A 80 10.534 5.254 6.999 1.00 0.00 H new ATOM 0 HA LEU A 80 12.608 5.167 4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.795 4.039 3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.600 5.067 4.644 1.00 0.00 H new ATOM 0 HG LEU A 80 11.364 6.613 2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.556 5.683 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.549 4.509 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.777 4.347 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.207 7.357 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.376 6.084 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.214 7.402 3.770 1.00 0.00 H new ATOM 1280 N GLN A 81 12.791 7.611 5.119 1.00 0.00 N ATOM 1281 CA GLN A 81 12.934 9.059 5.213 1.00 0.00 C ATOM 1282 C GLN A 81 12.918 9.700 3.829 1.00 0.00 C ATOM 1283 O GLN A 81 13.608 9.248 2.917 1.00 0.00 O ATOM 1284 CB GLN A 81 14.232 9.419 5.938 1.00 0.00 C ATOM 1285 CG GLN A 81 14.384 10.907 6.215 1.00 0.00 C ATOM 1286 CD GLN A 81 15.254 11.604 5.188 1.00 0.00 C ATOM 1287 OE1 GLN A 81 16.285 11.076 4.768 1.00 0.00 O ATOM 1288 NE2 GLN A 81 14.842 12.798 4.777 1.00 0.00 N ATOM 0 H GLN A 81 13.646 7.118 4.862 1.00 0.00 H new ATOM 0 HA GLN A 81 12.088 9.445 5.782 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.273 8.876 6.882 1.00 0.00 H new ATOM 0 HB3 GLN A 81 15.078 9.081 5.339 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.399 11.373 6.228 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.815 11.046 7.206 1.00 0.00 H new ATOM 0 HE21 GLN A 81 13.982 13.197 5.152 1.00 0.00 H new ATOM 0 HE22 GLN A 81 15.386 13.315 4.087 1.00 0.00 H new ATOM 1297 N GLY A 82 12.122 10.755 3.680 1.00 0.00 N ATOM 1298 CA GLY A 82 12.030 11.439 2.404 1.00 0.00 C ATOM 1299 C GLY A 82 10.770 12.275 2.284 1.00 0.00 C ATOM 1300 O GLY A 82 9.820 12.088 3.043 1.00 0.00 O ATOM 0 H GLY A 82 11.540 11.147 4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.902 12.081 2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.053 10.705 1.599 1.00 0.00 H new ATOM 1304 N ASP A 83 10.765 13.198 1.330 1.00 0.00 N ATOM 1305 CA ASP A 83 9.613 14.066 1.113 1.00 0.00 C ATOM 1306 C ASP A 83 8.721 13.519 0.003 1.00 0.00 C ATOM 1307 O ASP A 83 8.059 14.278 -0.704 1.00 0.00 O ATOM 1308 CB ASP A 83 10.072 15.482 0.764 1.00 0.00 C ATOM 1309 CG ASP A 83 9.164 16.547 1.348 1.00 0.00 C ATOM 1310 OD1 ASP A 83 9.398 16.960 2.503 1.00 0.00 O ATOM 1311 OD2 ASP A 83 8.219 16.968 0.648 1.00 0.00 O ATOM 0 H ASP A 83 11.545 13.365 0.694 1.00 0.00 H new ATOM 0 HA ASP A 83 9.035 14.097 2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.087 15.633 1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.106 15.593 -0.320 1.00 0.00 H new ATOM 1316 N GLN A 84 8.711 12.197 -0.144 1.00 0.00 N ATOM 1317 CA GLN A 84 7.901 11.550 -1.169 1.00 0.00 C ATOM 1318 C GLN A 84 6.973 10.509 -0.554 1.00 0.00 C ATOM 1319 O GLN A 84 6.876 9.384 -1.042 1.00 0.00 O ATOM 1320 CB GLN A 84 8.801 10.892 -2.218 1.00 0.00 C ATOM 1321 CG GLN A 84 9.945 11.780 -2.682 1.00 0.00 C ATOM 1322 CD GLN A 84 10.281 11.579 -4.147 1.00 0.00 C ATOM 1323 OE1 GLN A 84 10.722 10.504 -4.553 1.00 0.00 O ATOM 1324 NE2 GLN A 84 10.074 12.618 -4.949 1.00 0.00 N ATOM 0 H GLN A 84 9.254 11.555 0.433 1.00 0.00 H new ATOM 0 HA GLN A 84 7.290 12.314 -1.650 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.212 9.970 -1.806 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.196 10.613 -3.081 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.681 12.824 -2.513 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.829 11.573 -2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.707 13.490 -4.569 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.282 12.543 -5.945 1.00 0.00 H new ATOM 1333 N ARG A 85 6.293 10.893 0.522 1.00 0.00 N ATOM 1334 CA ARG A 85 5.374 9.992 1.205 1.00 0.00 C ATOM 1335 C ARG A 85 4.314 9.463 0.243 1.00 0.00 C ATOM 1336 O ARG A 85 4.184 8.254 0.051 1.00 0.00 O ATOM 1337 CB ARG A 85 4.701 10.709 2.378 1.00 0.00 C ATOM 1338 CG ARG A 85 3.705 9.842 3.132 1.00 0.00 C ATOM 1339 CD ARG A 85 2.805 10.679 4.029 1.00 0.00 C ATOM 1340 NE ARG A 85 1.457 10.808 3.482 1.00 0.00 N ATOM 1341 CZ ARG A 85 0.570 9.819 3.475 1.00 0.00 C ATOM 1342 NH1 ARG A 85 0.886 8.636 3.980 1.00 0.00 N ATOM 1343 NH2 ARG A 85 -0.638 10.015 2.960 1.00 0.00 N ATOM 0 H ARG A 85 6.362 11.821 0.939 1.00 0.00 H new ATOM 0 HA ARG A 85 5.949 9.147 1.585 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.469 11.053 3.071 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.188 11.596 2.005 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.095 9.284 2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.242 9.110 3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.753 10.223 5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.241 11.670 4.157 1.00 0.00 H new ATOM 0 HE ARG A 85 1.182 11.706 3.084 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.813 8.482 4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.202 7.879 3.973 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.885 10.925 2.570 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.319 9.256 2.954 1.00 0.00 H new ATOM 1357 N ALA A 86 3.560 10.377 -0.358 1.00 0.00 N ATOM 1358 CA ALA A 86 2.513 10.003 -1.301 1.00 0.00 C ATOM 1359 C ALA A 86 3.066 9.115 -2.411 1.00 0.00 C ATOM 1360 O ALA A 86 2.340 8.312 -2.999 1.00 0.00 O ATOM 1361 CB ALA A 86 1.866 11.247 -1.892 1.00 0.00 C ATOM 0 H ALA A 86 3.654 11.382 -0.209 1.00 0.00 H new ATOM 0 HA ALA A 86 1.756 9.435 -0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.086 10.953 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.428 11.844 -1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.620 11.837 -2.413 1.00 0.00 H new ATOM 1367 N LYS A 87 4.356 9.264 -2.694 1.00 0.00 N ATOM 1368 CA LYS A 87 5.008 8.475 -3.734 1.00 0.00 C ATOM 1369 C LYS A 87 5.242 7.043 -3.263 1.00 0.00 C ATOM 1370 O LYS A 87 4.991 6.089 -3.999 1.00 0.00 O ATOM 1371 CB LYS A 87 6.339 9.117 -4.130 1.00 0.00 C ATOM 1372 CG LYS A 87 6.687 8.936 -5.598 1.00 0.00 C ATOM 1373 CD LYS A 87 5.976 9.958 -6.468 1.00 0.00 C ATOM 1374 CE LYS A 87 6.861 11.163 -6.750 1.00 0.00 C ATOM 1375 NZ LYS A 87 6.077 12.316 -7.275 1.00 0.00 N ATOM 0 H LYS A 87 4.971 9.924 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 87 4.351 8.450 -4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.301 10.182 -3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.135 8.689 -3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.765 9.029 -5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.412 7.931 -5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.681 9.494 -7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.061 10.285 -5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.374 11.459 -5.835 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.630 10.888 -7.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.716 13.117 -7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.608 12.042 -8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.360 12.595 -6.576 1.00 0.00 H new ATOM 1389 N VAL A 88 5.722 6.900 -2.032 1.00 0.00 N ATOM 1390 CA VAL A 88 5.988 5.586 -1.463 1.00 0.00 C ATOM 1391 C VAL A 88 4.705 4.773 -1.332 1.00 0.00 C ATOM 1392 O VAL A 88 4.727 3.543 -1.388 1.00 0.00 O ATOM 1393 CB VAL A 88 6.656 5.697 -0.079 1.00 0.00 C ATOM 1394 CG1 VAL A 88 6.902 4.315 0.509 1.00 0.00 C ATOM 1395 CG2 VAL A 88 7.953 6.484 -0.174 1.00 0.00 C ATOM 0 H VAL A 88 5.935 7.680 -1.410 1.00 0.00 H new ATOM 0 HA VAL A 88 6.668 5.078 -2.147 1.00 0.00 H new ATOM 0 HB VAL A 88 5.981 6.234 0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.374 4.414 1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.952 3.791 0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.556 3.749 -0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.410 6.552 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.636 5.979 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.744 7.487 -0.547 1.00 0.00 H new ATOM 1405 N CYS A 89 3.586 5.468 -1.159 1.00 0.00 N ATOM 1406 CA CYS A 89 2.291 4.812 -1.021 1.00 0.00 C ATOM 1407 C CYS A 89 1.736 4.413 -2.384 1.00 0.00 C ATOM 1408 O CYS A 89 1.122 3.357 -2.528 1.00 0.00 O ATOM 1409 CB CYS A 89 1.303 5.735 -0.304 1.00 0.00 C ATOM 1410 SG CYS A 89 -0.017 4.864 0.573 1.00 0.00 S ATOM 0 H CYS A 89 3.550 6.486 -1.111 1.00 0.00 H new ATOM 0 HA CYS A 89 2.430 3.909 -0.427 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.851 6.354 0.407 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.856 6.409 -1.035 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.799 5.728 1.148 1.00 0.00 H new ATOM 1416 N GLU A 90 1.955 5.265 -3.379 1.00 0.00 N ATOM 1417 CA GLU A 90 1.474 5.001 -4.730 1.00 0.00 C ATOM 1418 C GLU A 90 2.291 3.896 -5.393 1.00 0.00 C ATOM 1419 O GLU A 90 1.767 3.109 -6.182 1.00 0.00 O ATOM 1420 CB GLU A 90 1.537 6.275 -5.577 1.00 0.00 C ATOM 1421 CG GLU A 90 0.810 6.159 -6.905 1.00 0.00 C ATOM 1422 CD GLU A 90 0.595 7.504 -7.571 1.00 0.00 C ATOM 1423 OE1 GLU A 90 1.450 8.397 -7.395 1.00 0.00 O ATOM 1424 OE2 GLU A 90 -0.429 7.665 -8.268 1.00 0.00 O ATOM 0 H GLU A 90 2.462 6.144 -3.276 1.00 0.00 H new ATOM 0 HA GLU A 90 0.438 4.671 -4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.109 7.101 -5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.581 6.525 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.381 5.514 -7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.155 5.678 -6.746 1.00 0.00 H new ATOM 1431 N PHE A 91 3.578 3.844 -5.067 1.00 0.00 N ATOM 1432 CA PHE A 91 4.469 2.838 -5.631 1.00 0.00 C ATOM 1433 C PHE A 91 4.334 1.513 -4.885 1.00 0.00 C ATOM 1434 O PHE A 91 4.471 0.440 -5.473 1.00 0.00 O ATOM 1435 CB PHE A 91 5.920 3.320 -5.577 1.00 0.00 C ATOM 1436 CG PHE A 91 6.773 2.781 -6.688 1.00 0.00 C ATOM 1437 CD1 PHE A 91 6.441 3.017 -8.013 1.00 0.00 C ATOM 1438 CD2 PHE A 91 7.910 2.038 -6.409 1.00 0.00 C ATOM 1439 CE1 PHE A 91 7.225 2.520 -9.037 1.00 0.00 C ATOM 1440 CE2 PHE A 91 8.697 1.539 -7.429 1.00 0.00 C ATOM 1441 CZ PHE A 91 8.355 1.781 -8.745 1.00 0.00 C ATOM 0 H PHE A 91 4.027 4.487 -4.415 1.00 0.00 H new ATOM 0 HA PHE A 91 4.185 2.681 -6.672 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.934 4.409 -5.615 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.356 3.029 -4.621 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.560 3.596 -8.248 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.184 1.847 -5.382 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.954 2.709 -10.065 1.00 0.00 H new ATOM 0 HE2 PHE A 91 9.579 0.960 -7.197 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.970 1.393 -9.544 1.00 0.00 H new ATOM 1451 N MET A 92 4.069 1.597 -3.586 1.00 0.00 N ATOM 1452 CA MET A 92 3.915 0.405 -2.759 1.00 0.00 C ATOM 1453 C MET A 92 2.667 -0.376 -3.156 1.00 0.00 C ATOM 1454 O MET A 92 2.705 -1.600 -3.284 1.00 0.00 O ATOM 1455 CB MET A 92 3.839 0.792 -1.280 1.00 0.00 C ATOM 1456 CG MET A 92 3.577 -0.387 -0.356 1.00 0.00 C ATOM 1457 SD MET A 92 4.946 -1.561 -0.326 1.00 0.00 S ATOM 1458 CE MET A 92 6.136 -0.668 0.670 1.00 0.00 C ATOM 0 H MET A 92 3.956 2.477 -3.083 1.00 0.00 H new ATOM 0 HA MET A 92 4.785 -0.232 -2.918 1.00 0.00 H new ATOM 0 HB2 MET A 92 4.775 1.270 -0.989 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.049 1.531 -1.146 1.00 0.00 H new ATOM 0 HG2 MET A 92 3.396 -0.019 0.654 1.00 0.00 H new ATOM 0 HG3 MET A 92 2.670 -0.900 -0.676 1.00 0.00 H new ATOM 0 HE1 MET A 92 6.954 -1.334 0.943 1.00 0.00 H new ATOM 0 HE2 MET A 92 6.528 0.174 0.100 1.00 0.00 H new ATOM 0 HE3 MET A 92 5.651 -0.300 1.574 1.00 0.00 H new ATOM 1468 N ILE A 93 1.564 0.339 -3.352 1.00 0.00 N ATOM 1469 CA ILE A 93 0.306 -0.288 -3.737 1.00 0.00 C ATOM 1470 C ILE A 93 0.330 -0.715 -5.200 1.00 0.00 C ATOM 1471 O ILE A 93 -0.095 -1.820 -5.542 1.00 0.00 O ATOM 1472 CB ILE A 93 -0.888 0.657 -3.508 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -0.962 1.076 -2.038 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -2.184 -0.011 -3.940 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -1.234 -0.076 -1.096 1.00 0.00 C ATOM 0 H ILE A 93 1.516 1.353 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 93 0.187 -1.169 -3.106 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.744 1.552 -4.114 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.023 1.552 -1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.746 1.824 -1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.018 0.670 -3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.129 -0.262 -4.999 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.336 -0.921 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.273 0.293 -0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.187 -0.538 -1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.437 -0.815 -1.185 1.00 0.00 H new ATOM 1487 N SER A 94 0.830 0.165 -6.061 1.00 0.00 N ATOM 1488 CA SER A 94 0.908 -0.120 -7.489 1.00 0.00 C ATOM 1489 C SER A 94 1.829 -1.305 -7.757 1.00 0.00 C ATOM 1490 O SER A 94 1.686 -2.001 -8.761 1.00 0.00 O ATOM 1491 CB SER A 94 1.405 1.111 -8.249 1.00 0.00 C ATOM 1492 OG SER A 94 1.303 0.920 -9.650 1.00 0.00 O ATOM 0 H SER A 94 1.188 1.082 -5.794 1.00 0.00 H new ATOM 0 HA SER A 94 -0.092 -0.375 -7.839 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.823 1.984 -7.954 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.442 1.314 -7.981 1.00 0.00 H new ATOM 0 HG SER A 94 1.625 1.721 -10.114 1.00 0.00 H new ATOM 1498 N GLN A 95 2.777 -1.527 -6.850 1.00 0.00 N ATOM 1499 CA GLN A 95 3.724 -2.627 -6.989 1.00 0.00 C ATOM 1500 C GLN A 95 3.214 -3.876 -6.277 1.00 0.00 C ATOM 1501 O GLN A 95 3.435 -4.998 -6.735 1.00 0.00 O ATOM 1502 CB GLN A 95 5.090 -2.226 -6.429 1.00 0.00 C ATOM 1503 CG GLN A 95 6.193 -3.224 -6.744 1.00 0.00 C ATOM 1504 CD GLN A 95 6.208 -3.635 -8.203 1.00 0.00 C ATOM 1505 OE1 GLN A 95 6.361 -2.798 -9.094 1.00 0.00 O ATOM 1506 NE2 GLN A 95 6.051 -4.929 -8.456 1.00 0.00 N ATOM 0 H GLN A 95 2.909 -0.960 -6.012 1.00 0.00 H new ATOM 0 HA GLN A 95 3.828 -2.853 -8.050 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.367 -1.252 -6.832 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.011 -2.113 -5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.157 -2.788 -6.483 1.00 0.00 H new ATOM 0 HG3 GLN A 95 6.065 -4.110 -6.122 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.927 -5.588 -7.687 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.054 -5.264 -9.419 1.00 0.00 H new ATOM 1515 N LEU A 96 2.534 -3.674 -5.154 1.00 0.00 N ATOM 1516 CA LEU A 96 1.994 -4.784 -4.376 1.00 0.00 C ATOM 1517 C LEU A 96 0.896 -5.507 -5.150 1.00 0.00 C ATOM 1518 O LEU A 96 0.640 -6.689 -4.927 1.00 0.00 O ATOM 1519 CB LEU A 96 1.445 -4.278 -3.042 1.00 0.00 C ATOM 1520 CG LEU A 96 2.462 -4.139 -1.908 1.00 0.00 C ATOM 1521 CD1 LEU A 96 1.851 -3.389 -0.734 1.00 0.00 C ATOM 1522 CD2 LEU A 96 2.961 -5.508 -1.468 1.00 0.00 C ATOM 0 H LEU A 96 2.343 -2.752 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 96 2.803 -5.489 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.981 -3.306 -3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.657 -4.956 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 96 3.313 -3.566 -2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.588 -3.299 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.544 -2.395 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.983 -3.935 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.684 -5.390 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.120 -6.106 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.437 -6.010 -2.310 1.00 0.00 H new ATOM 1534 N GLY A 97 0.251 -4.787 -6.064 1.00 0.00 N ATOM 1535 CA GLY A 97 -0.811 -5.377 -6.858 1.00 0.00 C ATOM 1536 C GLY A 97 -2.166 -4.766 -6.560 1.00 0.00 C ATOM 1537 O GLY A 97 -3.189 -5.449 -6.618 1.00 0.00 O ATOM 0 H GLY A 97 0.445 -3.807 -6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.583 -5.249 -7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.850 -6.450 -6.668 1.00 0.00 H new ATOM 1541 N LEU A 98 -2.174 -3.478 -6.236 1.00 0.00 N ATOM 1542 CA LEU A 98 -3.415 -2.775 -5.926 1.00 0.00 C ATOM 1543 C LEU A 98 -4.069 -3.352 -4.675 1.00 0.00 C ATOM 1544 O LEU A 98 -5.236 -3.742 -4.699 1.00 0.00 O ATOM 1545 CB LEU A 98 -4.381 -2.859 -7.107 1.00 0.00 C ATOM 1546 CG LEU A 98 -3.766 -2.664 -8.494 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -4.819 -2.844 -9.575 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -3.117 -1.292 -8.601 1.00 0.00 C ATOM 0 H LEU A 98 -1.336 -2.899 -6.181 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.174 -1.729 -5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.870 -3.833 -7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.159 -2.108 -6.968 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.995 -3.421 -8.638 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.363 -2.702 -10.555 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.237 -3.849 -9.512 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.613 -2.111 -9.435 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.685 -1.170 -9.594 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.869 -0.520 -8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.332 -1.201 -7.850 1.00 0.00 H new ATOM 1560 N GLN A 99 -3.309 -3.405 -3.586 1.00 0.00 N ATOM 1561 CA GLN A 99 -3.817 -3.933 -2.326 1.00 0.00 C ATOM 1562 C GLN A 99 -4.247 -2.804 -1.394 1.00 0.00 C ATOM 1563 O GLN A 99 -3.441 -1.951 -1.023 1.00 0.00 O ATOM 1564 CB GLN A 99 -2.752 -4.795 -1.643 1.00 0.00 C ATOM 1565 CG GLN A 99 -3.318 -5.756 -0.611 1.00 0.00 C ATOM 1566 CD GLN A 99 -4.440 -6.613 -1.163 1.00 0.00 C ATOM 1567 OE1 GLN A 99 -5.614 -6.253 -1.072 1.00 0.00 O ATOM 1568 NE2 GLN A 99 -4.084 -7.755 -1.742 1.00 0.00 N ATOM 0 H GLN A 99 -2.340 -3.089 -3.551 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.689 -4.549 -2.546 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.216 -5.365 -2.402 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.024 -4.143 -1.160 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.519 -6.402 -0.245 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.686 -5.189 0.244 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -3.099 -8.014 -1.796 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.796 -8.372 -2.133 1.00 0.00 H new ATOM 1577 N LYS A 100 -5.522 -2.805 -1.022 1.00 0.00 N ATOM 1578 CA LYS A 100 -6.060 -1.781 -0.133 1.00 0.00 C ATOM 1579 C LYS A 100 -7.212 -2.336 0.700 1.00 0.00 C ATOM 1580 O LYS A 100 -8.010 -1.580 1.256 1.00 0.00 O ATOM 1581 CB LYS A 100 -6.539 -0.574 -0.944 1.00 0.00 C ATOM 1582 CG LYS A 100 -6.781 0.666 -0.100 1.00 0.00 C ATOM 1583 CD LYS A 100 -5.929 1.833 -0.571 1.00 0.00 C ATOM 1584 CE LYS A 100 -6.632 2.634 -1.658 1.00 0.00 C ATOM 1585 NZ LYS A 100 -6.780 1.851 -2.914 1.00 0.00 N ATOM 0 H LYS A 100 -6.203 -3.503 -1.322 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.265 -1.466 0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.798 -0.344 -1.710 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.461 -0.837 -1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.835 0.940 -0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.556 0.447 0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.703 2.484 0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.977 1.460 -0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.616 2.942 -1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.067 3.544 -1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.040 2.490 -3.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.880 1.381 -3.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.524 1.134 -2.791 1.00 0.00 H new ATOM 1599 N LYS A 101 -7.292 -3.660 0.784 1.00 0.00 N ATOM 1600 CA LYS A 101 -8.344 -4.316 1.553 1.00 0.00 C ATOM 1601 C LYS A 101 -8.371 -3.800 2.988 1.00 0.00 C ATOM 1602 O LYS A 101 -9.413 -3.815 3.642 1.00 0.00 O ATOM 1603 CB LYS A 101 -8.136 -5.832 1.549 1.00 0.00 C ATOM 1604 CG LYS A 101 -9.017 -6.565 0.552 1.00 0.00 C ATOM 1605 CD LYS A 101 -9.314 -7.982 1.007 1.00 0.00 C ATOM 1606 CE LYS A 101 -10.352 -8.650 0.116 1.00 0.00 C ATOM 1607 NZ LYS A 101 -10.463 -10.108 0.390 1.00 0.00 N ATOM 0 H LYS A 101 -6.641 -4.300 0.329 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.301 -4.085 1.084 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.091 -6.046 1.324 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.333 -6.220 2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.952 -6.020 0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.525 -6.590 -0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.395 -8.568 0.998 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.673 -7.967 2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.322 -8.177 0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.086 -8.496 -0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.180 -10.525 -0.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.544 -10.564 0.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.742 -10.255 1.381 1.00 0.00 H new ATOM 1621 N ASN A 102 -7.221 -3.341 3.469 1.00 0.00 N ATOM 1622 CA ASN A 102 -7.115 -2.819 4.828 1.00 0.00 C ATOM 1623 C ASN A 102 -5.809 -2.051 5.014 1.00 0.00 C ATOM 1624 O ASN A 102 -4.802 -2.356 4.377 1.00 0.00 O ATOM 1625 CB ASN A 102 -7.199 -3.960 5.842 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.703 -3.495 7.194 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -7.174 -2.549 7.776 1.00 0.00 O ATOM 1628 ND2 ASN A 102 -8.735 -4.162 7.701 1.00 0.00 N ATOM 0 H ASN A 102 -6.350 -3.319 2.939 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.946 -2.133 4.995 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.861 -4.736 5.458 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.214 -4.411 5.960 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -9.119 -3.895 8.607 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -9.143 -4.941 7.184 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.837 -1.055 5.892 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.656 -0.245 6.165 1.00 0.00 C ATOM 1637 C ILE A 103 -4.614 0.193 7.625 1.00 0.00 C ATOM 1638 O ILE A 103 -5.558 0.801 8.131 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.610 1.005 5.265 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -4.942 0.631 3.819 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -3.243 1.666 5.347 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -4.903 1.807 2.868 1.00 0.00 C ATOM 0 H ILE A 103 -6.664 -0.789 6.427 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.789 -0.870 5.951 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.357 1.716 5.617 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -4.237 -0.126 3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -5.934 0.181 3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.226 2.547 4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.043 1.962 6.377 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.478 0.963 5.017 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -5.148 1.469 1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -5.628 2.556 3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -3.905 2.244 2.871 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.512 -0.120 8.298 1.00 0.00 N ATOM 1655 CA LYS A 104 -3.343 0.243 9.700 1.00 0.00 C ATOM 1656 C LYS A 104 -2.562 1.546 9.835 1.00 0.00 C ATOM 1657 O LYS A 104 -1.336 1.561 9.720 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.623 -0.877 10.455 1.00 0.00 C ATOM 1659 CG LYS A 104 -3.495 -1.577 11.482 1.00 0.00 C ATOM 1660 CD LYS A 104 -3.505 -0.834 12.806 1.00 0.00 C ATOM 1661 CE LYS A 104 -4.925 -0.577 13.290 1.00 0.00 C ATOM 1662 NZ LYS A 104 -5.566 -1.816 13.811 1.00 0.00 N ATOM 0 H LYS A 104 -2.722 -0.624 7.895 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.333 0.387 10.134 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.260 -1.613 9.737 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.748 -0.462 10.956 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.513 -1.657 11.101 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.132 -2.593 11.637 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.964 -1.414 13.554 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.979 0.115 12.696 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.910 0.181 14.073 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.521 -0.177 12.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.532 -1.599 14.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.603 -2.531 13.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.011 -2.184 14.610 1.00 0.00 H new ATOM 1676 N ILE A 105 -3.278 2.637 10.082 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.651 3.944 10.237 1.00 0.00 C ATOM 1678 C ILE A 105 -2.460 4.293 11.708 1.00 0.00 C ATOM 1679 O ILE A 105 -3.287 3.947 12.552 1.00 0.00 O ATOM 1680 CB ILE A 105 -3.484 5.050 9.562 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -2.862 6.422 9.830 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -4.921 5.009 10.059 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -3.416 7.520 8.949 1.00 0.00 C ATOM 0 H ILE A 105 -4.293 2.642 10.179 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.677 3.886 9.752 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.487 4.876 8.486 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.025 6.688 10.874 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.784 6.358 9.682 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.497 5.797 9.573 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.360 4.040 9.823 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.937 5.161 11.138 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.929 8.464 9.195 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.229 7.277 7.903 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.490 7.612 9.114 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.364 4.981 12.009 1.00 0.00 N ATOM 1696 CA HIS A 106 -1.065 5.379 13.381 1.00 0.00 C ATOM 1697 C HIS A 106 -1.792 6.671 13.743 1.00 0.00 C ATOM 1698 O HIS A 106 -1.951 7.560 12.908 1.00 0.00 O ATOM 1699 CB HIS A 106 0.442 5.562 13.563 1.00 0.00 C ATOM 1700 CG HIS A 106 0.840 5.893 14.969 1.00 0.00 C ATOM 1701 ND1 HIS A 106 0.581 5.063 16.040 1.00 0.00 N ATOM 1702 CD2 HIS A 106 1.482 6.971 15.478 1.00 0.00 C ATOM 1703 CE1 HIS A 106 1.046 5.616 17.145 1.00 0.00 C ATOM 1704 NE2 HIS A 106 1.597 6.775 16.831 1.00 0.00 N ATOM 0 H HIS A 106 -0.669 5.275 11.323 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.412 4.588 14.046 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.950 4.648 13.256 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.786 6.356 12.900 1.00 0.00 H new ATOM 0 HD2 HIS A 106 1.837 7.826 14.922 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.986 5.193 18.137 1.00 0.00 H new ATOM 0 HE2 HIS A 106 2.037 7.420 17.488 1.00 0.00 H new ATOM 1712 N GLY A 107 -2.236 6.765 14.993 1.00 0.00 N ATOM 1713 CA GLY A 107 -2.942 7.949 15.443 1.00 0.00 C ATOM 1714 C GLY A 107 -2.058 8.881 16.248 1.00 0.00 C ATOM 1715 O GLY A 107 -1.630 8.544 17.351 1.00 0.00 O ATOM 0 H GLY A 107 -2.119 6.041 15.702 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.336 8.484 14.579 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -3.797 7.650 16.050 1.00 0.00 H new ATOM 1719 N PHE A 108 -1.781 10.058 15.694 1.00 0.00 N ATOM 1720 CA PHE A 108 -0.940 11.041 16.366 1.00 0.00 C ATOM 1721 C PHE A 108 0.414 10.438 16.732 1.00 0.00 C ATOM 1722 O PHE A 108 1.262 10.226 15.867 1.00 0.00 O ATOM 1723 CB PHE A 108 -1.636 11.563 17.625 1.00 0.00 C ATOM 1724 CG PHE A 108 -1.857 13.048 17.616 1.00 0.00 C ATOM 1725 CD1 PHE A 108 -0.780 13.922 17.579 1.00 0.00 C ATOM 1726 CD2 PHE A 108 -3.138 13.573 17.644 1.00 0.00 C ATOM 1727 CE1 PHE A 108 -0.979 15.289 17.572 1.00 0.00 C ATOM 1728 CE2 PHE A 108 -3.343 14.939 17.634 1.00 0.00 C ATOM 1729 CZ PHE A 108 -2.262 15.799 17.600 1.00 0.00 C ATOM 0 H PHE A 108 -2.127 10.353 14.781 1.00 0.00 H new ATOM 0 HA PHE A 108 -0.775 11.872 15.680 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.598 11.061 17.733 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -1.038 11.298 18.497 1.00 0.00 H new ATOM 0 HD1 PHE A 108 0.226 13.529 17.555 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.987 12.906 17.674 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -0.132 15.958 17.545 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -4.348 15.335 17.653 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.420 16.867 17.595 1.00 0.00 H new TER 1739 PHE A 108