USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 674 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 4 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Set 1.2: A 89 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Set 2.1: A 68 HIS : no HE2:sc= -3.38! C(o=-2.7!,f=-4!) USER MOD Set 2.2: A 69 THR OG1 : rot 6:sc= 0.664 USER MOD Set 3.1: A 65 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.5!) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 115 SER OG : rot 150:sc= 0 USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.39 (180deg=0.552) USER MOD Single : A 2 GLN : amide:sc= 0.321 K(o=0.32,f=-6.6!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.709 K(o=0.71,f=-8.7!) USER MOD Single : A 29 HIS : no HD1:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 100:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.1! C(o=-4.1!,f=-3.1!) USER MOD Single : A 38 ASN : amide:sc= 0.774 K(o=0.77,f=-7.6!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.0854 K(o=-0.085,f=-5.3!) USER MOD Single : A 45 ASN : amide:sc= -4.28! C(o=-4.3!,f=-6!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -160:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -163:sc= 0.787 USER MOD Single : A 73 SER OG : rot -130:sc= 0.0703 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.326 K(o=-0.33,f=-0.85) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= 0.722 K(o=0.72,f=-2.9!) USER MOD Single : A 84 SER OG : rot 40:sc= -0.657! USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 168:sc= -2.12 (180deg=-2.59) USER MOD Single : A 90 TYR OH : rot -73:sc= 0.382 USER MOD Single : A 94 ASN : amide:sc= -3.31! C(o=-3.3!,f=-4.9!) USER MOD Single : A 95 SER OG : rot -170:sc= -0.225 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0.0689 USER MOD Single : A 106 ASN : amide:sc= -3.21! K(o=-3.2!,f=-0.42) USER MOD Single : A 109 HIS : no HE2:sc= 1.14 K(o=1.1,f=-6.1!) USER MOD Single : A 112 LYS NZ :NH3+ -126:sc= 1.16 (180deg=-0.207) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= -0.0317 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.373 -0.770 1.028 1.00 0.00 N ATOM 2 CA MET A 1 16.078 -2.223 1.039 1.00 0.00 C ATOM 3 C MET A 1 15.015 -2.553 0.004 1.00 0.00 C ATOM 4 O MET A 1 14.124 -1.744 -0.259 1.00 0.00 O ATOM 5 CB MET A 1 15.590 -2.678 2.422 1.00 0.00 C ATOM 6 CG MET A 1 16.640 -2.595 3.518 1.00 0.00 C ATOM 7 SD MET A 1 17.025 -0.899 3.992 1.00 0.00 S ATOM 8 CE MET A 1 18.237 -1.179 5.284 1.00 0.00 C ATOM 0 H1 MET A 1 16.775 -0.491 1.945 1.00 0.00 H new ATOM 0 H2 MET A 1 17.056 -0.560 0.272 1.00 0.00 H new ATOM 0 H3 MET A 1 15.495 -0.239 0.859 1.00 0.00 H new ATOM 0 HA MET A 1 17.002 -2.750 0.799 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.733 -2.069 2.710 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.239 -3.707 2.349 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.288 -3.141 4.393 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.551 -3.088 3.180 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.574 -0.221 5.680 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.786 -1.765 6.085 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.088 -1.721 4.873 1.00 0.00 H new ATOM 18 N GLN A 2 15.117 -3.735 -0.586 1.00 0.00 N ATOM 19 CA GLN A 2 14.156 -4.178 -1.582 1.00 0.00 C ATOM 20 C GLN A 2 13.049 -4.964 -0.898 1.00 0.00 C ATOM 21 O GLN A 2 13.305 -6.009 -0.296 1.00 0.00 O ATOM 22 CB GLN A 2 14.817 -5.059 -2.650 1.00 0.00 C ATOM 23 CG GLN A 2 16.026 -4.433 -3.341 1.00 0.00 C ATOM 24 CD GLN A 2 17.342 -4.717 -2.632 1.00 0.00 C ATOM 25 OE1 GLN A 2 17.391 -4.892 -1.414 1.00 0.00 O ATOM 26 NE2 GLN A 2 18.423 -4.767 -3.394 1.00 0.00 N ATOM 0 H GLN A 2 15.860 -4.406 -0.390 1.00 0.00 H new ATOM 0 HA GLN A 2 13.748 -3.296 -2.075 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.126 -5.996 -2.187 1.00 0.00 H new ATOM 0 HB3 GLN A 2 14.073 -5.308 -3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 2 16.085 -4.807 -4.363 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.881 -3.354 -3.404 1.00 0.00 H new ATOM 0 HE21 GLN A 2 18.345 -4.617 -4.400 1.00 0.00 H new ATOM 0 HE22 GLN A 2 19.334 -4.955 -2.975 1.00 0.00 H new ATOM 33 N CYS A 3 11.831 -4.459 -0.985 1.00 0.00 N ATOM 34 CA CYS A 3 10.691 -5.111 -0.355 1.00 0.00 C ATOM 35 C CYS A 3 9.910 -5.957 -1.366 1.00 0.00 C ATOM 36 O CYS A 3 9.977 -7.187 -1.327 1.00 0.00 O ATOM 37 CB CYS A 3 9.790 -4.063 0.299 1.00 0.00 C ATOM 38 SG CYS A 3 10.633 -3.039 1.553 1.00 0.00 S ATOM 0 H CYS A 3 11.604 -3.600 -1.485 1.00 0.00 H new ATOM 0 HA CYS A 3 11.059 -5.786 0.418 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.386 -3.411 -0.476 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.943 -4.567 0.765 1.00 0.00 H new ATOM 42 N ASN A 4 9.185 -5.291 -2.273 1.00 0.00 N ATOM 43 CA ASN A 4 8.392 -5.964 -3.313 1.00 0.00 C ATOM 44 C ASN A 4 7.399 -6.967 -2.715 1.00 0.00 C ATOM 45 O ASN A 4 7.659 -8.167 -2.722 1.00 0.00 O ATOM 46 CB ASN A 4 9.305 -6.707 -4.309 1.00 0.00 C ATOM 47 CG ASN A 4 10.506 -5.898 -4.772 1.00 0.00 C ATOM 48 OD1 ASN A 4 10.458 -4.672 -4.855 1.00 0.00 O ATOM 49 ND2 ASN A 4 11.601 -6.588 -5.069 1.00 0.00 N ATOM 0 H ASN A 4 9.130 -4.273 -2.308 1.00 0.00 H new ATOM 0 HA ASN A 4 7.836 -5.183 -3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.658 -7.628 -3.845 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.716 -6.995 -5.180 1.00 0.00 H new ATOM 0 HD21 ASN A 4 12.442 -6.101 -5.379 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.601 -7.605 -4.987 1.00 0.00 H new ATOM 55 N PHE A 5 6.266 -6.497 -2.188 1.00 0.00 N ATOM 56 CA PHE A 5 5.279 -7.421 -1.623 1.00 0.00 C ATOM 57 C PHE A 5 4.740 -8.364 -2.702 1.00 0.00 C ATOM 58 O PHE A 5 4.697 -9.578 -2.517 1.00 0.00 O ATOM 59 CB PHE A 5 4.127 -6.656 -0.944 1.00 0.00 C ATOM 60 CG PHE A 5 3.124 -6.039 -1.885 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.488 -5.019 -2.750 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.813 -6.484 -1.894 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.562 -4.455 -3.603 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.882 -5.925 -2.746 1.00 0.00 C ATOM 65 CZ PHE A 5 1.258 -4.909 -3.603 1.00 0.00 C ATOM 0 H PHE A 5 6.013 -5.510 -2.140 1.00 0.00 H new ATOM 0 HA PHE A 5 5.779 -8.020 -0.862 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.602 -7.339 -0.276 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.552 -5.867 -0.323 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.507 -4.662 -2.756 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.515 -7.279 -1.226 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.857 -3.659 -4.270 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.138 -6.281 -2.743 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.533 -4.470 -4.272 1.00 0.00 H new ATOM 74 N ALA A 6 4.393 -7.793 -3.850 1.00 0.00 N ATOM 75 CA ALA A 6 3.841 -8.540 -4.977 1.00 0.00 C ATOM 76 C ALA A 6 4.783 -9.639 -5.456 1.00 0.00 C ATOM 77 O ALA A 6 4.354 -10.612 -6.072 1.00 0.00 O ATOM 78 CB ALA A 6 3.543 -7.581 -6.117 1.00 0.00 C ATOM 0 H ALA A 6 4.487 -6.793 -4.027 1.00 0.00 H new ATOM 0 HA ALA A 6 2.924 -9.024 -4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.131 -8.135 -6.960 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.821 -6.835 -5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.463 -7.084 -6.424 1.00 0.00 H new ATOM 84 N ASN A 7 6.059 -9.476 -5.145 1.00 0.00 N ATOM 85 CA ASN A 7 7.100 -10.415 -5.544 1.00 0.00 C ATOM 86 C ASN A 7 6.821 -11.826 -5.029 1.00 0.00 C ATOM 87 O ASN A 7 7.202 -12.814 -5.654 1.00 0.00 O ATOM 88 CB ASN A 7 8.438 -9.929 -5.000 1.00 0.00 C ATOM 89 CG ASN A 7 9.630 -10.492 -5.741 1.00 0.00 C ATOM 90 OD1 ASN A 7 10.152 -11.551 -5.394 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.073 -9.772 -6.758 1.00 0.00 N ATOM 0 H ASN A 7 6.406 -8.683 -4.605 1.00 0.00 H new ATOM 0 HA ASN A 7 7.121 -10.459 -6.633 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.469 -8.841 -5.052 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.513 -10.200 -3.947 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.882 -10.089 -7.293 1.00 0.00 H new ATOM 0 HD22 ASN A 7 9.606 -8.900 -7.007 1.00 0.00 H new ATOM 97 N SER A 8 6.156 -11.920 -3.885 1.00 0.00 N ATOM 98 CA SER A 8 5.850 -13.215 -3.300 1.00 0.00 C ATOM 99 C SER A 8 4.426 -13.256 -2.756 1.00 0.00 C ATOM 100 O SER A 8 4.110 -14.056 -1.874 1.00 0.00 O ATOM 101 CB SER A 8 6.847 -13.514 -2.186 1.00 0.00 C ATOM 102 OG SER A 8 8.173 -13.519 -2.687 1.00 0.00 O ATOM 0 H SER A 8 5.821 -11.120 -3.348 1.00 0.00 H new ATOM 0 HA SER A 8 5.929 -13.974 -4.078 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.754 -12.767 -1.398 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.619 -14.481 -1.737 1.00 0.00 H new ATOM 0 HG SER A 8 8.798 -13.711 -1.957 1.00 0.00 H new ATOM 107 N CYS A 9 3.573 -12.396 -3.284 1.00 0.00 N ATOM 108 CA CYS A 9 2.184 -12.334 -2.857 1.00 0.00 C ATOM 109 C CYS A 9 1.264 -12.592 -4.041 1.00 0.00 C ATOM 110 O CYS A 9 1.451 -12.026 -5.118 1.00 0.00 O ATOM 111 CB CYS A 9 1.891 -10.973 -2.224 1.00 0.00 C ATOM 112 SG CYS A 9 2.730 -10.700 -0.625 1.00 0.00 S ATOM 0 H CYS A 9 3.819 -11.727 -4.013 1.00 0.00 H new ATOM 0 HA CYS A 9 2.003 -13.105 -2.108 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.192 -10.189 -2.919 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.815 -10.875 -2.079 1.00 0.00 H new ATOM 116 N THR A 10 0.283 -13.459 -3.839 1.00 0.00 N ATOM 117 CA THR A 10 -0.653 -13.818 -4.889 1.00 0.00 C ATOM 118 C THR A 10 -2.096 -13.759 -4.397 1.00 0.00 C ATOM 119 O THR A 10 -2.357 -13.914 -3.207 1.00 0.00 O ATOM 120 CB THR A 10 -0.347 -15.234 -5.414 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.167 -16.143 -4.315 1.00 0.00 O ATOM 122 CG2 THR A 10 0.902 -15.232 -6.276 1.00 0.00 C ATOM 0 H THR A 10 0.116 -13.929 -2.949 1.00 0.00 H new ATOM 0 HA THR A 10 -0.536 -13.094 -5.695 1.00 0.00 H new ATOM 0 HB THR A 10 -1.193 -15.559 -6.020 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.025 -17.040 -4.660 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.098 -16.242 -6.635 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.756 -14.566 -7.127 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.751 -14.886 -5.686 1.00 0.00 H new ATOM 130 N GLY A 11 -3.020 -13.516 -5.318 1.00 0.00 N ATOM 131 CA GLY A 11 -4.427 -13.451 -4.969 1.00 0.00 C ATOM 132 C GLY A 11 -4.749 -12.281 -4.063 1.00 0.00 C ATOM 133 O GLY A 11 -5.500 -12.421 -3.096 1.00 0.00 O ATOM 0 H GLY A 11 -2.819 -13.362 -6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.020 -13.374 -5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.718 -14.378 -4.476 1.00 0.00 H new ATOM 137 N VAL A 12 -4.175 -11.128 -4.371 1.00 0.00 N ATOM 138 CA VAL A 12 -4.397 -9.928 -3.579 1.00 0.00 C ATOM 139 C VAL A 12 -5.605 -9.143 -4.086 1.00 0.00 C ATOM 140 O VAL A 12 -5.846 -9.065 -5.293 1.00 0.00 O ATOM 141 CB VAL A 12 -3.151 -9.013 -3.582 1.00 0.00 C ATOM 142 CG1 VAL A 12 -1.992 -9.685 -2.864 1.00 0.00 C ATOM 143 CG2 VAL A 12 -2.753 -8.640 -5.003 1.00 0.00 C ATOM 0 H VAL A 12 -3.550 -10.998 -5.166 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.592 -10.255 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.404 -8.097 -3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.124 -9.025 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.275 -9.893 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.745 -10.619 -3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.874 -7.996 -4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.524 -9.545 -5.566 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.576 -8.112 -5.485 1.00 0.00 H new ATOM 153 N GLU A 13 -6.380 -8.593 -3.165 1.00 0.00 N ATOM 154 CA GLU A 13 -7.552 -7.800 -3.523 1.00 0.00 C ATOM 155 C GLU A 13 -7.620 -6.544 -2.660 1.00 0.00 C ATOM 156 O GLU A 13 -7.019 -6.495 -1.584 1.00 0.00 O ATOM 157 CB GLU A 13 -8.829 -8.627 -3.370 1.00 0.00 C ATOM 158 CG GLU A 13 -9.116 -9.061 -1.944 1.00 0.00 C ATOM 159 CD GLU A 13 -10.253 -10.051 -1.868 1.00 0.00 C ATOM 160 OE1 GLU A 13 -11.427 -9.621 -1.903 1.00 0.00 O ATOM 161 OE2 GLU A 13 -9.976 -11.266 -1.780 1.00 0.00 O ATOM 0 H GLU A 13 -6.221 -8.680 -2.161 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.464 -7.501 -4.568 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.673 -8.044 -3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.754 -9.513 -4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.219 -9.507 -1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.358 -8.186 -1.341 1.00 0.00 H new ATOM 166 N LEU A 14 -8.348 -5.537 -3.128 1.00 0.00 N ATOM 167 CA LEU A 14 -8.466 -4.281 -2.401 1.00 0.00 C ATOM 168 C LEU A 14 -9.924 -3.890 -2.190 1.00 0.00 C ATOM 169 O LEU A 14 -10.707 -3.828 -3.138 1.00 0.00 O ATOM 170 CB LEU A 14 -7.723 -3.177 -3.156 1.00 0.00 C ATOM 171 CG LEU A 14 -7.826 -1.762 -2.569 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.507 -1.747 -1.083 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.885 -0.841 -3.301 1.00 0.00 C ATOM 0 H LEU A 14 -8.865 -5.567 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.017 -4.414 -1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.669 -3.449 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.098 -3.151 -4.179 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.853 -1.420 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.590 -0.729 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.210 -2.390 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.492 -2.111 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.960 0.163 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.863 -1.204 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.151 -0.814 -4.358 1.00 0.00 H new ATOM 184 N TYR A 15 -10.276 -3.629 -0.939 1.00 0.00 N ATOM 185 CA TYR A 15 -11.629 -3.224 -0.585 1.00 0.00 C ATOM 186 C TYR A 15 -11.582 -1.986 0.302 1.00 0.00 C ATOM 187 O TYR A 15 -11.226 -2.071 1.479 1.00 0.00 O ATOM 188 CB TYR A 15 -12.353 -4.360 0.140 1.00 0.00 C ATOM 189 CG TYR A 15 -13.822 -4.092 0.390 1.00 0.00 C ATOM 190 CD1 TYR A 15 -14.752 -4.232 -0.631 1.00 0.00 C ATOM 191 CD2 TYR A 15 -14.280 -3.711 1.647 1.00 0.00 C ATOM 192 CE1 TYR A 15 -16.094 -3.998 -0.413 1.00 0.00 C ATOM 193 CE2 TYR A 15 -15.624 -3.479 1.873 1.00 0.00 C ATOM 194 CZ TYR A 15 -16.526 -3.626 0.840 1.00 0.00 C ATOM 195 OH TYR A 15 -17.866 -3.404 1.062 1.00 0.00 O ATOM 0 H TYR A 15 -9.637 -3.691 -0.146 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.176 -2.990 -1.498 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.255 -5.273 -0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -11.859 -4.541 1.095 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.419 -4.530 -1.614 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -13.576 -3.595 2.458 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -16.802 -4.106 -1.221 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -15.966 -3.184 2.854 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.005 -3.150 1.998 1.00 0.00 H new ATOM 204 N GLY A 16 -11.909 -0.837 -0.268 1.00 0.00 N ATOM 205 CA GLY A 16 -11.890 0.402 0.485 1.00 0.00 C ATOM 206 C GLY A 16 -10.477 0.906 0.701 1.00 0.00 C ATOM 207 O GLY A 16 -10.065 1.896 0.100 1.00 0.00 O ATOM 0 H GLY A 16 -12.189 -0.739 -1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.469 1.158 -0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.373 0.249 1.450 1.00 0.00 H new ATOM 211 N TYR A 17 -9.739 0.211 1.554 1.00 0.00 N ATOM 212 CA TYR A 17 -8.354 0.555 1.857 1.00 0.00 C ATOM 213 C TYR A 17 -7.623 -0.613 2.522 1.00 0.00 C ATOM 214 O TYR A 17 -6.620 -0.418 3.212 1.00 0.00 O ATOM 215 CB TYR A 17 -8.259 1.819 2.728 1.00 0.00 C ATOM 216 CG TYR A 17 -9.303 1.938 3.826 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.400 0.997 4.844 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.182 3.015 3.844 1.00 0.00 C ATOM 219 CE1 TYR A 17 -10.345 1.125 5.846 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.124 3.151 4.844 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.203 2.206 5.842 1.00 0.00 C ATOM 222 OH TYR A 17 -12.142 2.344 6.839 1.00 0.00 O ATOM 0 H TYR A 17 -10.082 -0.608 2.057 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.863 0.767 0.907 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.270 1.850 3.186 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.337 2.692 2.080 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.727 0.152 4.853 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.127 3.758 3.062 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.411 0.383 6.628 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -11.797 3.996 4.843 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.663 3.160 6.687 1.00 0.00 H new ATOM 231 N ILE A 18 -8.118 -1.828 2.302 1.00 0.00 N ATOM 232 CA ILE A 18 -7.498 -3.020 2.868 1.00 0.00 C ATOM 233 C ILE A 18 -6.997 -3.940 1.760 1.00 0.00 C ATOM 234 O ILE A 18 -7.719 -4.227 0.806 1.00 0.00 O ATOM 235 CB ILE A 18 -8.459 -3.808 3.791 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.728 -4.227 3.041 1.00 0.00 C ATOM 237 CG2 ILE A 18 -8.812 -2.983 5.018 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.686 -5.058 3.871 1.00 0.00 C ATOM 0 H ILE A 18 -8.946 -2.012 1.736 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.660 -2.676 3.474 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.947 -4.714 4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.245 -3.332 2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.444 -4.795 2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.488 -3.551 5.656 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.903 -2.747 5.571 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.298 -2.058 4.707 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.559 -5.315 3.271 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.188 -5.971 4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.002 -4.486 4.744 1.00 0.00 H new ATOM 249 N LEU A 19 -5.754 -4.380 1.885 1.00 0.00 N ATOM 250 CA LEU A 19 -5.144 -5.262 0.902 1.00 0.00 C ATOM 251 C LEU A 19 -4.909 -6.627 1.517 1.00 0.00 C ATOM 252 O LEU A 19 -4.111 -6.765 2.436 1.00 0.00 O ATOM 253 CB LEU A 19 -3.805 -4.684 0.429 1.00 0.00 C ATOM 254 CG LEU A 19 -3.590 -4.669 -1.083 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.602 -6.079 -1.651 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.650 -3.816 -1.744 1.00 0.00 C ATOM 0 H LEU A 19 -5.143 -4.138 2.665 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.816 -5.353 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.719 -3.663 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.000 -5.258 0.887 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.610 -4.238 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.447 -6.038 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.805 -6.663 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.563 -6.548 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.491 -3.809 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.636 -4.226 -1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.588 -2.797 -1.362 1.00 0.00 H new ATOM 267 N ARG A 20 -5.591 -7.632 1.018 1.00 0.00 N ATOM 268 CA ARG A 20 -5.422 -8.974 1.537 1.00 0.00 C ATOM 269 C ARG A 20 -4.980 -9.900 0.424 1.00 0.00 C ATOM 270 O ARG A 20 -5.452 -9.785 -0.708 1.00 0.00 O ATOM 271 CB ARG A 20 -6.717 -9.498 2.155 1.00 0.00 C ATOM 272 CG ARG A 20 -6.536 -10.819 2.883 1.00 0.00 C ATOM 273 CD ARG A 20 -7.724 -11.737 2.667 1.00 0.00 C ATOM 274 NE ARG A 20 -8.961 -11.190 3.226 1.00 0.00 N ATOM 275 CZ ARG A 20 -10.171 -11.694 2.984 1.00 0.00 C ATOM 276 NH1 ARG A 20 -10.305 -12.773 2.223 1.00 0.00 N ATOM 277 NH2 ARG A 20 -11.247 -11.122 3.505 1.00 0.00 N ATOM 0 H ARG A 20 -6.265 -7.549 0.257 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.661 -8.942 2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.107 -8.756 2.852 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.464 -9.621 1.370 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.628 -11.308 2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.406 -10.634 3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.857 -11.910 1.599 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.519 -12.705 3.124 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.893 -10.376 3.836 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.481 -13.219 1.821 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.232 -13.156 2.040 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.150 -10.294 4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.172 -11.510 3.318 1.00 0.00 H new ATOM 288 N GLY A 21 -4.072 -10.802 0.741 1.00 0.00 N ATOM 289 CA GLY A 21 -3.591 -11.732 -0.249 1.00 0.00 C ATOM 290 C GLY A 21 -2.856 -12.896 0.364 1.00 0.00 C ATOM 291 O GLY A 21 -2.699 -12.974 1.585 1.00 0.00 O ATOM 0 H GLY A 21 -3.659 -10.907 1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.433 -12.104 -0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.929 -11.212 -0.941 1.00 0.00 H new ATOM 295 N ASP A 22 -2.402 -13.792 -0.488 1.00 0.00 N ATOM 296 CA ASP A 22 -1.673 -14.965 -0.056 1.00 0.00 C ATOM 297 C ASP A 22 -0.201 -14.777 -0.348 1.00 0.00 C ATOM 298 O ASP A 22 0.230 -14.860 -1.498 1.00 0.00 O ATOM 299 CB ASP A 22 -2.198 -16.212 -0.769 1.00 0.00 C ATOM 300 CG ASP A 22 -3.556 -16.641 -0.254 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.608 -17.405 0.729 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.583 -16.209 -0.825 1.00 0.00 O ATOM 0 H ASP A 22 -2.528 -13.727 -1.498 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.814 -15.099 1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.264 -16.015 -1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.488 -17.029 -0.638 1.00 0.00 H new ATOM 306 N CYS A 23 0.573 -14.520 0.686 1.00 0.00 N ATOM 307 CA CYS A 23 1.993 -14.300 0.524 1.00 0.00 C ATOM 308 C CYS A 23 2.773 -15.506 1.020 1.00 0.00 C ATOM 309 O CYS A 23 2.540 -16.007 2.114 1.00 0.00 O ATOM 310 CB CYS A 23 2.393 -13.041 1.286 1.00 0.00 C ATOM 311 SG CYS A 23 1.497 -11.546 0.745 1.00 0.00 S ATOM 0 H CYS A 23 0.241 -14.459 1.648 1.00 0.00 H new ATOM 0 HA CYS A 23 2.225 -14.165 -0.532 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.213 -13.197 2.350 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.464 -12.877 1.164 1.00 0.00 H new ATOM 315 N ILE A 24 3.715 -15.952 0.209 1.00 0.00 N ATOM 316 CA ILE A 24 4.522 -17.117 0.530 1.00 0.00 C ATOM 317 C ILE A 24 5.512 -16.814 1.650 1.00 0.00 C ATOM 318 O ILE A 24 6.068 -15.719 1.720 1.00 0.00 O ATOM 319 CB ILE A 24 5.275 -17.606 -0.728 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.271 -17.967 -1.829 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.166 -18.789 -0.405 1.00 0.00 C ATOM 322 CD1 ILE A 24 4.907 -18.517 -3.088 1.00 0.00 C ATOM 0 H ILE A 24 3.942 -15.520 -0.687 1.00 0.00 H new ATOM 0 HA ILE A 24 3.853 -17.905 0.876 1.00 0.00 H new ATOM 0 HB ILE A 24 5.915 -16.799 -1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.568 -18.703 -1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.693 -17.079 -2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.683 -19.112 -1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.898 -18.498 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.558 -19.609 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.130 -18.748 -3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.588 -17.775 -3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.461 -19.425 -2.849 1.00 0.00 H new ATOM 333 N ASN A 25 5.707 -17.781 2.537 1.00 0.00 N ATOM 334 CA ASN A 25 6.630 -17.612 3.649 1.00 0.00 C ATOM 335 C ASN A 25 7.906 -18.414 3.405 1.00 0.00 C ATOM 336 O ASN A 25 8.086 -18.970 2.322 1.00 0.00 O ATOM 337 CB ASN A 25 5.969 -18.019 4.978 1.00 0.00 C ATOM 338 CG ASN A 25 5.931 -19.515 5.215 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.820 -20.070 5.854 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.906 -20.176 4.707 1.00 0.00 N ATOM 0 H ASN A 25 5.240 -18.687 2.508 1.00 0.00 H new ATOM 0 HA ASN A 25 6.896 -16.557 3.720 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.506 -17.545 5.799 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.950 -17.632 4.999 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.833 -21.185 4.840 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.188 -19.678 4.182 1.00 0.00 H new ATOM 346 N GLU A 26 8.775 -18.483 4.407 1.00 0.00 N ATOM 347 CA GLU A 26 10.042 -19.212 4.296 1.00 0.00 C ATOM 348 C GLU A 26 9.825 -20.679 3.901 1.00 0.00 C ATOM 349 O GLU A 26 10.668 -21.282 3.237 1.00 0.00 O ATOM 350 CB GLU A 26 10.800 -19.128 5.624 1.00 0.00 C ATOM 351 CG GLU A 26 10.031 -19.715 6.796 1.00 0.00 C ATOM 352 CD GLU A 26 10.710 -19.481 8.126 1.00 0.00 C ATOM 353 OE1 GLU A 26 11.758 -20.112 8.386 1.00 0.00 O ATOM 354 OE2 GLU A 26 10.193 -18.672 8.923 1.00 0.00 O ATOM 0 H GLU A 26 8.627 -18.041 5.314 1.00 0.00 H new ATOM 0 HA GLU A 26 10.631 -18.746 3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.751 -19.651 5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.031 -18.084 5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.032 -19.279 6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.907 -20.787 6.641 1.00 0.00 H new ATOM 359 N ASP A 27 8.693 -21.240 4.310 1.00 0.00 N ATOM 360 CA ASP A 27 8.352 -22.629 4.007 1.00 0.00 C ATOM 361 C ASP A 27 8.094 -22.825 2.520 1.00 0.00 C ATOM 362 O ASP A 27 8.287 -23.914 1.981 1.00 0.00 O ATOM 363 CB ASP A 27 7.111 -23.047 4.796 1.00 0.00 C ATOM 364 CG ASP A 27 6.679 -24.471 4.502 1.00 0.00 C ATOM 365 OD1 ASP A 27 7.284 -25.411 5.061 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.723 -24.658 3.721 1.00 0.00 O ATOM 0 H ASP A 27 7.987 -20.749 4.859 1.00 0.00 H new ATOM 0 HA ASP A 27 9.200 -23.250 4.295 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.313 -22.946 5.862 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.291 -22.368 4.562 1.00 0.00 H new ATOM 370 N GLY A 28 7.672 -21.762 1.858 1.00 0.00 N ATOM 371 CA GLY A 28 7.373 -21.851 0.445 1.00 0.00 C ATOM 372 C GLY A 28 5.884 -21.963 0.199 1.00 0.00 C ATOM 373 O GLY A 28 5.436 -22.067 -0.942 1.00 0.00 O ATOM 0 H GLY A 28 7.531 -20.840 2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.762 -20.971 -0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.879 -22.717 0.019 1.00 0.00 H new ATOM 377 N HIS A 29 5.117 -21.927 1.279 1.00 0.00 N ATOM 378 CA HIS A 29 3.668 -22.026 1.196 1.00 0.00 C ATOM 379 C HIS A 29 3.012 -20.664 1.414 1.00 0.00 C ATOM 380 O HIS A 29 3.447 -19.873 2.256 1.00 0.00 O ATOM 381 CB HIS A 29 3.164 -23.084 2.201 1.00 0.00 C ATOM 382 CG HIS A 29 1.978 -22.701 3.048 1.00 0.00 C ATOM 383 ND1 HIS A 29 0.688 -23.081 2.749 1.00 0.00 N ATOM 384 CD2 HIS A 29 1.901 -22.010 4.211 1.00 0.00 C ATOM 385 CE1 HIS A 29 -0.128 -22.639 3.687 1.00 0.00 C ATOM 386 NE2 HIS A 29 0.582 -21.988 4.586 1.00 0.00 N ATOM 0 H HIS A 29 5.477 -21.829 2.228 1.00 0.00 H new ATOM 0 HA HIS A 29 3.385 -22.349 0.194 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.908 -23.986 1.646 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.988 -23.342 2.866 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.726 -21.560 4.744 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.198 -22.786 3.713 1.00 0.00 H new ATOM 0 HE2 HIS A 29 0.211 -21.541 5.424 1.00 0.00 H new ATOM 394 N PRO A 30 1.974 -20.385 0.620 1.00 0.00 N ATOM 395 CA PRO A 30 1.202 -19.134 0.680 1.00 0.00 C ATOM 396 C PRO A 30 0.459 -18.963 2.005 1.00 0.00 C ATOM 397 O PRO A 30 -0.276 -19.850 2.437 1.00 0.00 O ATOM 398 CB PRO A 30 0.201 -19.282 -0.472 1.00 0.00 C ATOM 399 CG PRO A 30 0.109 -20.751 -0.703 1.00 0.00 C ATOM 400 CD PRO A 30 1.479 -21.280 -0.436 1.00 0.00 C ATOM 0 HA PRO A 30 1.846 -18.258 0.602 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.769 -18.860 -0.211 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.545 -18.761 -1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.625 -21.208 -0.039 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.205 -20.969 -1.724 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.454 -22.319 -0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.108 -21.242 -1.326 1.00 0.00 H new ATOM 405 N HIS A 31 0.653 -17.816 2.637 1.00 0.00 N ATOM 406 CA HIS A 31 0.020 -17.505 3.910 1.00 0.00 C ATOM 407 C HIS A 31 -0.909 -16.303 3.741 1.00 0.00 C ATOM 408 O HIS A 31 -0.559 -15.334 3.069 1.00 0.00 O ATOM 409 CB HIS A 31 1.101 -17.213 4.961 1.00 0.00 C ATOM 410 CG HIS A 31 0.583 -17.032 6.356 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.619 -18.033 7.302 1.00 0.00 N ATOM 412 CD2 HIS A 31 0.040 -15.955 6.973 1.00 0.00 C ATOM 413 CE1 HIS A 31 0.117 -17.581 8.437 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.240 -16.324 8.262 1.00 0.00 N ATOM 0 H HIS A 31 1.255 -17.073 2.281 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.573 -18.356 4.246 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.822 -18.031 4.958 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.640 -16.312 4.668 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.139 -14.986 6.531 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.016 -18.145 9.352 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.658 -15.723 8.972 1.00 0.00 H new ATOM 422 N ALA A 32 -2.084 -16.367 4.349 1.00 0.00 N ATOM 423 CA ALA A 32 -3.055 -15.284 4.251 1.00 0.00 C ATOM 424 C ALA A 32 -2.664 -14.113 5.141 1.00 0.00 C ATOM 425 O ALA A 32 -2.511 -14.263 6.354 1.00 0.00 O ATOM 426 CB ALA A 32 -4.443 -15.782 4.623 1.00 0.00 C ATOM 0 H ALA A 32 -2.390 -17.158 4.916 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.067 -14.937 3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.157 -14.962 4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.736 -16.584 3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.433 -16.158 5.646 1.00 0.00 H new ATOM 432 N THR A 33 -2.497 -12.954 4.530 1.00 0.00 N ATOM 433 CA THR A 33 -2.126 -11.749 5.249 1.00 0.00 C ATOM 434 C THR A 33 -2.885 -10.555 4.687 1.00 0.00 C ATOM 435 O THR A 33 -3.343 -10.579 3.543 1.00 0.00 O ATOM 436 CB THR A 33 -0.605 -11.493 5.162 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.239 -10.348 5.947 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.182 -11.281 3.716 1.00 0.00 C ATOM 0 H THR A 33 -2.614 -12.822 3.525 1.00 0.00 H new ATOM 0 HA THR A 33 -2.388 -11.885 6.298 1.00 0.00 H new ATOM 0 HB THR A 33 -0.092 -12.370 5.557 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.128 -10.644 6.806 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.892 -11.102 3.674 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.425 -12.169 3.132 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.710 -10.420 3.305 1.00 0.00 H new ATOM 446 N SER A 34 -3.032 -9.523 5.496 1.00 0.00 N ATOM 447 CA SER A 34 -3.738 -8.330 5.079 1.00 0.00 C ATOM 448 C SER A 34 -3.043 -7.087 5.595 1.00 0.00 C ATOM 449 O SER A 34 -2.590 -7.057 6.736 1.00 0.00 O ATOM 450 CB SER A 34 -5.169 -8.366 5.590 1.00 0.00 C ATOM 451 OG SER A 34 -5.210 -8.526 7.001 1.00 0.00 O ATOM 0 H SER A 34 -2.670 -9.489 6.449 1.00 0.00 H new ATOM 0 HA SER A 34 -3.744 -8.299 3.989 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.680 -7.444 5.312 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.707 -9.185 5.113 1.00 0.00 H new ATOM 0 HG SER A 34 -6.143 -8.544 7.301 1.00 0.00 H new ATOM 456 N ILE A 35 -2.966 -6.072 4.756 1.00 0.00 N ATOM 457 CA ILE A 35 -2.338 -4.826 5.131 1.00 0.00 C ATOM 458 C ILE A 35 -3.316 -3.682 4.920 1.00 0.00 C ATOM 459 O ILE A 35 -4.148 -3.734 4.015 1.00 0.00 O ATOM 460 CB ILE A 35 -1.066 -4.528 4.301 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.248 -5.792 4.053 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.206 -3.483 4.995 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.609 -6.510 2.767 1.00 0.00 C ATOM 0 H ILE A 35 -3.334 -6.090 3.805 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.051 -4.919 6.178 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.391 -4.140 3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.810 -5.530 4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.388 -6.475 4.891 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.683 -3.287 4.396 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.776 -2.561 5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.092 -3.851 5.977 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.014 -7.398 2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.658 -6.804 2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.442 -5.845 1.920 1.00 0.00 H new ATOM 474 N ASN A 36 -3.228 -2.656 5.742 1.00 0.00 N ATOM 475 CA ASN A 36 -4.109 -1.516 5.590 1.00 0.00 C ATOM 476 C ASN A 36 -3.348 -0.366 4.956 1.00 0.00 C ATOM 477 O ASN A 36 -2.511 0.271 5.593 1.00 0.00 O ATOM 478 CB ASN A 36 -4.715 -1.090 6.921 1.00 0.00 C ATOM 479 CG ASN A 36 -5.822 -0.087 6.730 1.00 0.00 C ATOM 480 OD1 ASN A 36 -5.680 1.084 7.063 1.00 0.00 O ATOM 481 ND2 ASN A 36 -6.906 -0.521 6.129 1.00 0.00 N ATOM 0 H ASN A 36 -2.564 -2.588 6.513 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.934 -1.806 4.940 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.102 -1.966 7.442 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.939 -0.660 7.554 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.668 0.125 5.923 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.986 -1.504 5.868 1.00 0.00 H new ATOM 487 N LEU A 37 -3.660 -0.102 3.700 1.00 0.00 N ATOM 488 CA LEU A 37 -2.994 0.942 2.933 1.00 0.00 C ATOM 489 C LEU A 37 -3.307 2.311 3.507 1.00 0.00 C ATOM 490 O LEU A 37 -2.554 3.259 3.325 1.00 0.00 O ATOM 491 CB LEU A 37 -3.427 0.906 1.457 1.00 0.00 C ATOM 492 CG LEU A 37 -3.286 -0.438 0.728 1.00 0.00 C ATOM 493 CD1 LEU A 37 -1.949 -1.098 1.041 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.448 -1.358 1.070 1.00 0.00 C ATOM 0 H LEU A 37 -4.381 -0.603 3.181 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.921 0.758 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.471 1.215 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.845 1.650 0.914 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.312 -0.245 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.879 -2.048 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.137 -0.444 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.873 -1.275 2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.329 -2.305 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.464 -1.540 2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.384 -0.889 0.767 1.00 0.00 H new ATOM 505 N ASN A 38 -4.414 2.398 4.226 1.00 0.00 N ATOM 506 CA ASN A 38 -4.853 3.658 4.807 1.00 0.00 C ATOM 507 C ASN A 38 -3.900 4.150 5.894 1.00 0.00 C ATOM 508 O ASN A 38 -3.975 5.299 6.324 1.00 0.00 O ATOM 509 CB ASN A 38 -6.267 3.506 5.359 1.00 0.00 C ATOM 510 CG ASN A 38 -7.026 4.814 5.375 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.683 5.749 4.659 1.00 0.00 O ATOM 512 ND2 ASN A 38 -8.091 4.873 6.152 1.00 0.00 N ATOM 0 H ASN A 38 -5.028 1.608 4.422 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.852 4.410 4.018 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.813 2.780 4.756 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.217 3.106 6.372 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.662 5.718 6.171 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.343 4.074 6.733 1.00 0.00 H new ATOM 518 N TYR A 39 -3.001 3.286 6.337 1.00 0.00 N ATOM 519 CA TYR A 39 -2.035 3.662 7.359 1.00 0.00 C ATOM 520 C TYR A 39 -0.631 3.740 6.779 1.00 0.00 C ATOM 521 O TYR A 39 0.326 4.024 7.501 1.00 0.00 O ATOM 522 CB TYR A 39 -2.051 2.664 8.520 1.00 0.00 C ATOM 523 CG TYR A 39 -3.327 2.684 9.327 1.00 0.00 C ATOM 524 CD1 TYR A 39 -3.819 3.872 9.846 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.036 1.516 9.571 1.00 0.00 C ATOM 526 CE1 TYR A 39 -4.981 3.897 10.588 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.199 1.533 10.313 1.00 0.00 C ATOM 528 CZ TYR A 39 -5.668 2.727 10.817 1.00 0.00 C ATOM 529 OH TYR A 39 -6.825 2.750 11.560 1.00 0.00 O ATOM 0 H TYR A 39 -2.919 2.324 6.008 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.320 4.646 7.731 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.898 1.660 8.125 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.211 2.877 9.181 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.283 4.792 9.666 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.672 0.580 9.174 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.350 4.830 10.987 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.739 0.616 10.498 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.188 1.842 11.628 1.00 0.00 H new ATOM 538 N TYR A 40 -0.506 3.483 5.479 1.00 0.00 N ATOM 539 CA TYR A 40 0.803 3.506 4.836 1.00 0.00 C ATOM 540 C TYR A 40 0.835 4.384 3.588 1.00 0.00 C ATOM 541 O TYR A 40 1.905 4.812 3.168 1.00 0.00 O ATOM 542 CB TYR A 40 1.260 2.078 4.522 1.00 0.00 C ATOM 543 CG TYR A 40 1.309 1.207 5.759 1.00 0.00 C ATOM 544 CD1 TYR A 40 2.153 1.521 6.817 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.495 0.091 5.881 1.00 0.00 C ATOM 546 CE1 TYR A 40 2.180 0.751 7.961 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.520 -0.690 7.020 1.00 0.00 C ATOM 548 CZ TYR A 40 1.363 -0.354 8.059 1.00 0.00 C ATOM 549 OH TYR A 40 1.384 -1.116 9.203 1.00 0.00 O ATOM 0 H TYR A 40 -1.284 3.259 4.858 1.00 0.00 H new ATOM 0 HA TYR A 40 1.502 3.957 5.540 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.582 1.633 3.794 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.247 2.108 4.061 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.799 2.383 6.742 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.170 -0.172 5.072 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.838 1.013 8.776 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.117 -1.559 7.097 1.00 0.00 H new ATOM 0 HH TYR A 40 0.750 -1.858 9.114 1.00 0.00 H new ATOM 558 N ILE A 41 -0.325 4.657 3.010 1.00 0.00 N ATOM 559 CA ILE A 41 -0.417 5.511 1.834 1.00 0.00 C ATOM 560 C ILE A 41 -1.138 6.800 2.200 1.00 0.00 C ATOM 561 O ILE A 41 -2.121 6.778 2.944 1.00 0.00 O ATOM 562 CB ILE A 41 -1.165 4.827 0.668 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.266 3.830 -0.065 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.705 5.862 -0.307 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.047 2.537 0.679 1.00 0.00 C ATOM 0 H ILE A 41 -1.221 4.297 3.338 1.00 0.00 H new ATOM 0 HA ILE A 41 0.600 5.718 1.501 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.003 4.276 1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.705 3.607 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.701 4.298 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.228 5.358 -1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.396 6.526 0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.879 6.445 -0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.601 1.885 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.422 2.745 1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.006 2.044 0.842 1.00 0.00 H new ATOM 576 N GLY A 42 -0.649 7.920 1.691 1.00 0.00 N ATOM 577 CA GLY A 42 -1.267 9.188 2.008 1.00 0.00 C ATOM 578 C GLY A 42 -1.859 9.885 0.810 1.00 0.00 C ATOM 579 O GLY A 42 -1.572 9.540 -0.337 1.00 0.00 O ATOM 0 H GLY A 42 0.158 7.973 1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.051 9.026 2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.524 9.840 2.468 1.00 0.00 H new ATOM 583 N ASN A 43 -2.681 10.879 1.097 1.00 0.00 N ATOM 584 CA ASN A 43 -3.350 11.663 0.069 1.00 0.00 C ATOM 585 C ASN A 43 -2.752 13.061 0.013 1.00 0.00 C ATOM 586 O ASN A 43 -2.994 13.886 0.898 1.00 0.00 O ATOM 587 CB ASN A 43 -4.853 11.738 0.354 1.00 0.00 C ATOM 588 CG ASN A 43 -5.585 12.704 -0.561 1.00 0.00 C ATOM 589 OD1 ASN A 43 -5.192 12.928 -1.702 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.659 13.295 -0.055 1.00 0.00 N ATOM 0 H ASN A 43 -2.905 11.167 2.050 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.205 11.179 -0.897 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.287 10.744 0.246 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.006 12.041 1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.188 13.960 -0.619 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.956 13.084 0.898 1.00 0.00 H new ATOM 596 N ASP A 44 -1.968 13.318 -1.018 1.00 0.00 N ATOM 597 CA ASP A 44 -1.324 14.610 -1.187 1.00 0.00 C ATOM 598 C ASP A 44 -1.923 15.356 -2.372 1.00 0.00 C ATOM 599 O ASP A 44 -1.703 14.983 -3.523 1.00 0.00 O ATOM 600 CB ASP A 44 0.185 14.424 -1.372 1.00 0.00 C ATOM 601 CG ASP A 44 0.920 15.731 -1.586 1.00 0.00 C ATOM 602 OD1 ASP A 44 0.971 16.556 -0.649 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.475 15.927 -2.688 1.00 0.00 O ATOM 0 H ASP A 44 -1.760 12.645 -1.756 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.494 15.206 -0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.594 13.923 -0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.363 13.769 -2.225 1.00 0.00 H new ATOM 607 N ASN A 45 -2.709 16.391 -2.072 1.00 0.00 N ATOM 608 CA ASN A 45 -3.361 17.222 -3.090 1.00 0.00 C ATOM 609 C ASN A 45 -4.228 16.378 -4.017 1.00 0.00 C ATOM 610 O ASN A 45 -4.251 16.587 -5.232 1.00 0.00 O ATOM 611 CB ASN A 45 -2.316 17.983 -3.909 1.00 0.00 C ATOM 612 CG ASN A 45 -2.774 19.375 -4.305 1.00 0.00 C ATOM 613 OD1 ASN A 45 -3.436 20.065 -3.531 1.00 0.00 O ATOM 614 ND2 ASN A 45 -2.447 19.788 -5.519 1.00 0.00 N ATOM 0 H ASN A 45 -2.913 16.679 -1.115 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.002 17.937 -2.574 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.395 18.060 -3.331 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.082 17.414 -4.808 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.745 20.708 -5.842 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.897 19.186 -6.131 1.00 0.00 H new ATOM 620 N GLY A 46 -4.932 15.412 -3.442 1.00 0.00 N ATOM 621 CA GLY A 46 -5.801 14.553 -4.227 1.00 0.00 C ATOM 622 C GLY A 46 -5.038 13.499 -5.006 1.00 0.00 C ATOM 623 O GLY A 46 -5.577 12.893 -5.931 1.00 0.00 O ATOM 0 H GLY A 46 -4.917 15.206 -2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.515 14.063 -3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.378 15.164 -4.921 1.00 0.00 H new ATOM 627 N ARG A 47 -3.789 13.278 -4.634 1.00 0.00 N ATOM 628 CA ARG A 47 -2.954 12.298 -5.310 1.00 0.00 C ATOM 629 C ARG A 47 -2.408 11.276 -4.324 1.00 0.00 C ATOM 630 O ARG A 47 -2.230 11.572 -3.141 1.00 0.00 O ATOM 631 CB ARG A 47 -1.802 12.997 -6.029 1.00 0.00 C ATOM 632 CG ARG A 47 -1.880 12.890 -7.542 1.00 0.00 C ATOM 633 CD ARG A 47 -3.186 13.449 -8.085 1.00 0.00 C ATOM 634 NE ARG A 47 -3.371 14.852 -7.721 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.782 15.791 -8.566 1.00 0.00 C ATOM 636 NH1 ARG A 47 -4.088 15.479 -9.815 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.894 17.043 -8.153 1.00 0.00 N ATOM 0 H ARG A 47 -3.329 13.765 -3.865 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.568 11.774 -6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.793 14.050 -5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.859 12.568 -5.690 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.043 13.427 -7.987 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.782 11.845 -7.837 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.200 13.351 -9.170 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.020 12.861 -7.701 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.172 15.127 -6.759 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.009 14.513 -10.133 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.403 16.204 -10.459 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.665 17.284 -7.189 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.209 17.767 -8.799 1.00 0.00 H new ATOM 648 N LEU A 48 -2.136 10.080 -4.827 1.00 0.00 N ATOM 649 CA LEU A 48 -1.611 8.996 -4.010 1.00 0.00 C ATOM 650 C LEU A 48 -0.114 9.149 -3.804 1.00 0.00 C ATOM 651 O LEU A 48 0.654 9.241 -4.762 1.00 0.00 O ATOM 652 CB LEU A 48 -1.919 7.644 -4.664 1.00 0.00 C ATOM 653 CG LEU A 48 -3.252 7.007 -4.271 1.00 0.00 C ATOM 654 CD1 LEU A 48 -4.414 7.928 -4.588 1.00 0.00 C ATOM 655 CD2 LEU A 48 -3.426 5.679 -4.979 1.00 0.00 C ATOM 0 H LEU A 48 -2.272 9.835 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.096 9.038 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.904 7.773 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.117 6.949 -4.414 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.241 6.837 -3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.348 7.448 -4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.299 8.862 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.431 8.138 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.379 5.235 -4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.410 5.837 -6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.614 5.008 -4.699 1.00 0.00 H new ATOM 666 N GLU A 49 0.283 9.193 -2.547 1.00 0.00 N ATOM 667 CA GLU A 49 1.681 9.326 -2.179 1.00 0.00 C ATOM 668 C GLU A 49 2.134 8.059 -1.467 1.00 0.00 C ATOM 669 O GLU A 49 1.411 7.573 -0.593 1.00 0.00 O ATOM 670 CB GLU A 49 1.851 10.543 -1.267 1.00 0.00 C ATOM 671 CG GLU A 49 3.275 10.810 -0.827 1.00 0.00 C ATOM 672 CD GLU A 49 4.148 11.281 -1.964 1.00 0.00 C ATOM 673 OE1 GLU A 49 4.174 12.498 -2.234 1.00 0.00 O ATOM 674 OE2 GLU A 49 4.814 10.443 -2.592 1.00 0.00 O ATOM 0 H GLU A 49 -0.353 9.138 -1.752 1.00 0.00 H new ATOM 0 HA GLU A 49 2.291 9.468 -3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.474 11.424 -1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.231 10.405 -0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.274 11.562 -0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.698 9.900 -0.400 1.00 0.00 H new ATOM 679 N TYR A 50 3.292 7.511 -1.862 1.00 0.00 N ATOM 680 CA TYR A 50 3.810 6.285 -1.261 1.00 0.00 C ATOM 681 C TYR A 50 3.657 6.237 0.153 1.00 0.00 C ATOM 682 O TYR A 50 2.945 5.348 0.626 1.00 0.00 O ATOM 683 CB TYR A 50 5.231 5.875 -1.675 1.00 0.00 C ATOM 684 CG TYR A 50 6.188 6.963 -2.138 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.971 7.674 -3.312 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.334 7.252 -1.404 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.864 8.642 -3.734 1.00 0.00 C ATOM 688 CE2 TYR A 50 8.226 8.219 -1.817 1.00 0.00 C ATOM 689 CZ TYR A 50 7.985 8.913 -2.980 1.00 0.00 C ATOM 690 OH TYR A 50 8.872 9.883 -3.389 1.00 0.00 O ATOM 0 H TYR A 50 3.884 7.901 -2.595 1.00 0.00 H new ATOM 0 HA TYR A 50 3.160 5.528 -1.700 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.691 5.366 -0.828 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.145 5.143 -2.478 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.092 7.468 -3.904 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.529 6.708 -0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.683 9.183 -4.651 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.108 8.430 -1.231 1.00 0.00 H new ATOM 0 HH TYR A 50 9.606 9.948 -2.743 1.00 0.00 H new ATOM 699 N PRO A 51 4.236 7.073 0.921 1.00 0.00 N ATOM 700 CA PRO A 51 3.996 6.866 2.224 1.00 0.00 C ATOM 701 C PRO A 51 3.172 7.954 2.848 1.00 0.00 C ATOM 702 O PRO A 51 3.515 9.139 2.841 1.00 0.00 O ATOM 703 CB PRO A 51 5.371 6.791 2.718 1.00 0.00 C ATOM 704 CG PRO A 51 6.092 7.877 1.955 1.00 0.00 C ATOM 705 CD PRO A 51 5.254 8.095 0.711 1.00 0.00 C ATOM 0 HA PRO A 51 3.392 5.988 2.455 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.419 6.960 3.794 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.810 5.811 2.529 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.170 8.790 2.545 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.108 7.574 1.700 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.834 9.100 0.660 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.820 7.939 -0.207 1.00 0.00 H new ATOM 710 N GLY A 52 2.097 7.530 3.400 1.00 0.00 N ATOM 711 CA GLY A 52 1.184 8.452 3.992 1.00 0.00 C ATOM 712 C GLY A 52 0.246 7.810 4.975 1.00 0.00 C ATOM 713 O GLY A 52 0.454 6.673 5.388 1.00 0.00 O ATOM 0 H GLY A 52 1.821 6.550 3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.747 9.237 4.497 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.602 8.933 3.205 1.00 0.00 H new ATOM 717 N GLU A 53 -0.798 8.540 5.334 1.00 0.00 N ATOM 718 CA GLU A 53 -1.798 8.058 6.274 1.00 0.00 C ATOM 719 C GLU A 53 -3.137 8.741 6.015 1.00 0.00 C ATOM 720 O GLU A 53 -3.179 9.897 5.592 1.00 0.00 O ATOM 721 CB GLU A 53 -1.352 8.315 7.721 1.00 0.00 C ATOM 722 CG GLU A 53 -0.172 7.460 8.157 1.00 0.00 C ATOM 723 CD GLU A 53 0.359 7.821 9.523 1.00 0.00 C ATOM 724 OE1 GLU A 53 -0.229 7.369 10.527 1.00 0.00 O ATOM 725 OE2 GLU A 53 1.376 8.544 9.601 1.00 0.00 O ATOM 0 H GLU A 53 -0.976 9.481 4.983 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.912 6.983 6.131 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.087 9.367 7.829 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.192 8.128 8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.473 6.412 8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.630 7.561 7.426 1.00 0.00 H new ATOM 730 N SER A 54 -4.214 8.000 6.246 1.00 0.00 N ATOM 731 CA SER A 54 -5.576 8.485 6.083 1.00 0.00 C ATOM 732 C SER A 54 -5.890 8.944 4.657 1.00 0.00 C ATOM 733 O SER A 54 -6.483 10.006 4.459 1.00 0.00 O ATOM 734 CB SER A 54 -5.851 9.614 7.072 1.00 0.00 C ATOM 735 OG SER A 54 -5.536 9.215 8.396 1.00 0.00 O ATOM 0 H SER A 54 -4.163 7.030 6.557 1.00 0.00 H new ATOM 0 HA SER A 54 -6.234 7.641 6.288 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.262 10.491 6.802 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.900 9.905 7.015 1.00 0.00 H new ATOM 0 HG SER A 54 -5.718 9.955 9.013 1.00 0.00 H new ATOM 740 N PHE A 55 -5.504 8.156 3.657 1.00 0.00 N ATOM 741 CA PHE A 55 -5.809 8.516 2.276 1.00 0.00 C ATOM 742 C PHE A 55 -7.267 8.149 1.976 1.00 0.00 C ATOM 743 O PHE A 55 -7.993 8.912 1.348 1.00 0.00 O ATOM 744 CB PHE A 55 -4.854 7.833 1.272 1.00 0.00 C ATOM 745 CG PHE A 55 -5.210 6.414 0.914 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.885 5.365 1.755 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.872 6.132 -0.273 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.214 4.065 1.421 1.00 0.00 C ATOM 749 CE2 PHE A 55 -6.202 4.835 -0.610 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.872 3.801 0.239 1.00 0.00 C ATOM 0 H PHE A 55 -4.990 7.282 3.772 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.666 9.590 2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.828 8.426 0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.846 7.844 1.688 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.369 5.564 2.682 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.132 6.939 -0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.955 3.255 2.087 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.718 4.631 -1.537 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.129 2.785 -0.021 1.00 0.00 H new ATOM 759 N GLY A 56 -7.704 7.014 2.528 1.00 0.00 N ATOM 760 CA GLY A 56 -9.055 6.514 2.308 1.00 0.00 C ATOM 761 C GLY A 56 -10.114 7.476 2.791 1.00 0.00 C ATOM 762 O GLY A 56 -11.270 7.410 2.373 1.00 0.00 O ATOM 0 H GLY A 56 -7.134 6.424 3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.200 6.324 1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.174 5.560 2.822 1.00 0.00 H new ATOM 766 N SER A 57 -9.702 8.372 3.668 1.00 0.00 N ATOM 767 CA SER A 57 -10.579 9.380 4.226 1.00 0.00 C ATOM 768 C SER A 57 -11.095 10.322 3.134 1.00 0.00 C ATOM 769 O SER A 57 -12.206 10.851 3.228 1.00 0.00 O ATOM 770 CB SER A 57 -9.807 10.155 5.291 1.00 0.00 C ATOM 771 OG SER A 57 -9.375 9.285 6.325 1.00 0.00 O ATOM 0 H SER A 57 -8.744 8.420 4.014 1.00 0.00 H new ATOM 0 HA SER A 57 -11.449 8.901 4.676 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.946 10.647 4.838 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.439 10.939 5.708 1.00 0.00 H new ATOM 0 HG SER A 57 -9.173 9.808 7.129 1.00 0.00 H new ATOM 776 N SER A 58 -10.300 10.506 2.084 1.00 0.00 N ATOM 777 CA SER A 58 -10.683 11.383 0.984 1.00 0.00 C ATOM 778 C SER A 58 -10.433 10.717 -0.371 1.00 0.00 C ATOM 779 O SER A 58 -10.354 11.396 -1.398 1.00 0.00 O ATOM 780 CB SER A 58 -9.902 12.696 1.066 1.00 0.00 C ATOM 781 OG SER A 58 -10.012 13.280 2.354 1.00 0.00 O ATOM 0 H SER A 58 -9.389 10.061 1.972 1.00 0.00 H new ATOM 0 HA SER A 58 -11.750 11.586 1.072 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.853 12.513 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.276 13.392 0.315 1.00 0.00 H new ATOM 0 HG SER A 58 -9.502 14.117 2.378 1.00 0.00 H new ATOM 786 N CYS A 59 -10.316 9.394 -0.377 1.00 0.00 N ATOM 787 CA CYS A 59 -10.065 8.664 -1.611 1.00 0.00 C ATOM 788 C CYS A 59 -11.136 7.616 -1.873 1.00 0.00 C ATOM 789 O CYS A 59 -11.723 7.053 -0.944 1.00 0.00 O ATOM 790 CB CYS A 59 -8.699 7.979 -1.566 1.00 0.00 C ATOM 791 SG CYS A 59 -7.291 9.114 -1.348 1.00 0.00 S ATOM 0 H CYS A 59 -10.391 8.809 0.455 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.085 9.394 -2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.696 7.256 -0.750 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.557 7.418 -2.490 1.00 0.00 H new ATOM 795 N VAL A 60 -11.382 7.372 -3.149 1.00 0.00 N ATOM 796 CA VAL A 60 -12.350 6.383 -3.599 1.00 0.00 C ATOM 797 C VAL A 60 -11.798 5.675 -4.829 1.00 0.00 C ATOM 798 O VAL A 60 -10.717 6.027 -5.301 1.00 0.00 O ATOM 799 CB VAL A 60 -13.722 7.012 -3.948 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.400 7.565 -2.704 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.564 8.101 -5.001 1.00 0.00 C ATOM 0 H VAL A 60 -10.911 7.860 -3.911 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.511 5.681 -2.781 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.357 6.227 -4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.361 8.001 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.557 6.759 -1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.768 8.332 -2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.540 8.529 -5.231 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.906 8.882 -4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.133 7.672 -5.906 1.00 0.00 H new ATOM 811 N LYS A 61 -12.529 4.687 -5.338 1.00 0.00 N ATOM 812 CA LYS A 61 -12.114 3.936 -6.528 1.00 0.00 C ATOM 813 C LYS A 61 -10.809 3.186 -6.274 1.00 0.00 C ATOM 814 O LYS A 61 -9.958 3.085 -7.158 1.00 0.00 O ATOM 815 CB LYS A 61 -11.948 4.866 -7.744 1.00 0.00 C ATOM 816 CG LYS A 61 -13.169 5.720 -8.040 1.00 0.00 C ATOM 817 CD LYS A 61 -14.412 4.871 -8.225 1.00 0.00 C ATOM 818 CE LYS A 61 -15.629 5.724 -8.530 1.00 0.00 C ATOM 819 NZ LYS A 61 -16.865 4.906 -8.612 1.00 0.00 N ATOM 0 H LYS A 61 -13.419 4.383 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.901 3.213 -6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.093 5.520 -7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.718 4.262 -8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.327 6.425 -7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.992 6.309 -8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.251 4.161 -9.037 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.593 4.287 -7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.745 6.483 -7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.478 6.251 -9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.676 5.522 -8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.763 4.198 -9.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -17.023 4.423 -7.704 1.00 0.00 H new ATOM 829 N THR A 62 -10.660 2.668 -5.064 1.00 0.00 N ATOM 830 CA THR A 62 -9.464 1.936 -4.689 1.00 0.00 C ATOM 831 C THR A 62 -9.376 0.590 -5.406 1.00 0.00 C ATOM 832 O THR A 62 -10.271 -0.251 -5.297 1.00 0.00 O ATOM 833 CB THR A 62 -9.415 1.714 -3.166 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.743 1.542 -2.650 1.00 0.00 O ATOM 835 CG2 THR A 62 -8.743 2.878 -2.459 1.00 0.00 C ATOM 0 H THR A 62 -11.357 2.743 -4.323 1.00 0.00 H new ATOM 0 HA THR A 62 -8.610 2.542 -4.993 1.00 0.00 H new ATOM 0 HB THR A 62 -8.829 0.814 -2.979 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.737 1.676 -1.679 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.725 2.690 -1.385 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.722 2.986 -2.826 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.299 3.794 -2.657 1.00 0.00 H new ATOM 843 N ALA A 63 -8.284 0.399 -6.134 1.00 0.00 N ATOM 844 CA ALA A 63 -8.051 -0.829 -6.876 1.00 0.00 C ATOM 845 C ALA A 63 -6.554 -1.065 -7.007 1.00 0.00 C ATOM 846 O ALA A 63 -5.776 -0.113 -7.049 1.00 0.00 O ATOM 847 CB ALA A 63 -8.706 -0.764 -8.248 1.00 0.00 C ATOM 0 H ALA A 63 -7.538 1.089 -6.226 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.498 -1.662 -6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.518 -1.694 -8.785 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.781 -0.623 -8.132 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.289 0.071 -8.811 1.00 0.00 H new ATOM 853 N LEU A 64 -6.151 -2.324 -7.060 1.00 0.00 N ATOM 854 CA LEU A 64 -4.739 -2.665 -7.171 1.00 0.00 C ATOM 855 C LEU A 64 -4.402 -3.158 -8.576 1.00 0.00 C ATOM 856 O LEU A 64 -4.867 -4.216 -9.000 1.00 0.00 O ATOM 857 CB LEU A 64 -4.377 -3.733 -6.130 1.00 0.00 C ATOM 858 CG LEU A 64 -3.392 -3.289 -5.040 1.00 0.00 C ATOM 859 CD1 LEU A 64 -1.983 -3.207 -5.592 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.802 -1.944 -4.464 1.00 0.00 C ATOM 0 H LEU A 64 -6.779 -3.127 -7.028 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.152 -1.766 -6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.295 -4.072 -5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.953 -4.592 -6.650 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.413 -4.033 -4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.301 -2.891 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.680 -4.186 -5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.953 -2.485 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.091 -1.647 -3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.811 -1.196 -5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.798 -2.023 -4.028 1.00 0.00 H new ATOM 871 N ASN A 65 -3.600 -2.384 -9.297 1.00 0.00 N ATOM 872 CA ASN A 65 -3.190 -2.755 -10.643 1.00 0.00 C ATOM 873 C ASN A 65 -2.137 -3.845 -10.588 1.00 0.00 C ATOM 874 O ASN A 65 -1.058 -3.646 -10.022 1.00 0.00 O ATOM 875 CB ASN A 65 -2.639 -1.553 -11.409 1.00 0.00 C ATOM 876 CG ASN A 65 -3.733 -0.690 -12.010 1.00 0.00 C ATOM 877 OD1 ASN A 65 -4.811 -1.179 -12.354 1.00 0.00 O ATOM 878 ND2 ASN A 65 -3.463 0.597 -12.154 1.00 0.00 N ATOM 0 H ASN A 65 -3.221 -1.495 -8.971 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.072 -3.123 -11.168 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.031 -0.947 -10.737 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.981 -1.904 -12.204 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.159 1.222 -12.562 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.559 0.965 -11.857 1.00 0.00 H new ATOM 884 N ASP A 66 -2.485 -5.004 -11.146 1.00 0.00 N ATOM 885 CA ASP A 66 -1.598 -6.170 -11.207 1.00 0.00 C ATOM 886 C ASP A 66 -1.092 -6.564 -9.815 1.00 0.00 C ATOM 887 O ASP A 66 -0.051 -7.204 -9.672 1.00 0.00 O ATOM 888 CB ASP A 66 -0.430 -5.900 -12.159 1.00 0.00 C ATOM 889 CG ASP A 66 0.309 -7.164 -12.544 1.00 0.00 C ATOM 890 OD1 ASP A 66 -0.299 -8.029 -13.204 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.500 -7.302 -12.184 1.00 0.00 O ATOM 0 H ASP A 66 -3.398 -5.164 -11.573 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.173 -7.012 -11.593 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.805 -5.414 -13.060 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.266 -5.206 -11.688 1.00 0.00 H new ATOM 895 N GLY A 67 -1.845 -6.172 -8.794 1.00 0.00 N ATOM 896 CA GLY A 67 -1.488 -6.489 -7.425 1.00 0.00 C ATOM 897 C GLY A 67 -0.153 -5.909 -6.984 1.00 0.00 C ATOM 898 O GLY A 67 0.575 -6.548 -6.230 1.00 0.00 O ATOM 0 H GLY A 67 -2.706 -5.634 -8.893 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.270 -6.120 -6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.458 -7.572 -7.310 1.00 0.00 H new ATOM 902 N HIS A 68 0.178 -4.701 -7.439 1.00 0.00 N ATOM 903 CA HIS A 68 1.438 -4.070 -7.040 1.00 0.00 C ATOM 904 C HIS A 68 1.300 -2.551 -6.952 1.00 0.00 C ATOM 905 O HIS A 68 1.978 -1.908 -6.159 1.00 0.00 O ATOM 906 CB HIS A 68 2.592 -4.452 -7.986 1.00 0.00 C ATOM 907 CG HIS A 68 2.569 -3.785 -9.331 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.370 -2.711 -9.647 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.856 -4.057 -10.449 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.155 -2.359 -10.897 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.239 -3.157 -11.408 1.00 0.00 N ATOM 0 H HIS A 68 -0.397 -4.147 -8.073 1.00 0.00 H new ATOM 0 HA HIS A 68 1.679 -4.448 -6.047 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.536 -4.212 -7.496 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.576 -5.532 -8.134 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.027 -2.259 -9.012 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.121 -4.840 -10.564 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.647 -1.551 -11.417 1.00 0.00 H new ATOM 919 N THR A 69 0.420 -1.985 -7.760 1.00 0.00 N ATOM 920 CA THR A 69 0.204 -0.548 -7.769 1.00 0.00 C ATOM 921 C THR A 69 -1.211 -0.202 -7.315 1.00 0.00 C ATOM 922 O THR A 69 -2.175 -0.797 -7.778 1.00 0.00 O ATOM 923 CB THR A 69 0.442 0.014 -9.180 1.00 0.00 C ATOM 924 OG1 THR A 69 1.843 0.007 -9.486 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.126 1.417 -9.329 1.00 0.00 C ATOM 0 H THR A 69 -0.159 -2.502 -8.422 1.00 0.00 H new ATOM 0 HA THR A 69 0.912 -0.098 -7.073 1.00 0.00 H new ATOM 0 HB THR A 69 -0.081 -0.630 -9.887 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.333 -0.439 -8.764 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.062 1.780 -10.339 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.200 1.396 -9.145 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.353 2.082 -8.610 1.00 0.00 H new ATOM 933 N LEU A 70 -1.328 0.751 -6.410 1.00 0.00 N ATOM 934 CA LEU A 70 -2.629 1.174 -5.914 1.00 0.00 C ATOM 935 C LEU A 70 -3.139 2.345 -6.732 1.00 0.00 C ATOM 936 O LEU A 70 -2.421 3.309 -6.965 1.00 0.00 O ATOM 937 CB LEU A 70 -2.548 1.546 -4.427 1.00 0.00 C ATOM 938 CG LEU A 70 -3.693 2.414 -3.882 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.031 1.702 -3.999 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.425 2.793 -2.434 1.00 0.00 C ATOM 0 H LEU A 70 -0.538 1.249 -6.001 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.329 0.345 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.509 0.625 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.608 2.071 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.741 3.321 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.820 2.343 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.234 1.479 -5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.000 0.773 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.244 3.408 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.346 1.889 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.493 3.354 -2.371 1.00 0.00 H new ATOM 951 N THR A 71 -4.370 2.233 -7.187 1.00 0.00 N ATOM 952 CA THR A 71 -4.999 3.279 -7.967 1.00 0.00 C ATOM 953 C THR A 71 -6.261 3.760 -7.273 1.00 0.00 C ATOM 954 O THR A 71 -7.093 2.949 -6.863 1.00 0.00 O ATOM 955 CB THR A 71 -5.359 2.785 -9.379 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.384 1.348 -9.412 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.374 3.313 -10.406 1.00 0.00 C ATOM 0 H THR A 71 -4.961 1.417 -7.027 1.00 0.00 H new ATOM 0 HA THR A 71 -4.287 4.099 -8.055 1.00 0.00 H new ATOM 0 HB THR A 71 -6.350 3.164 -9.629 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.616 1.046 -10.315 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.650 2.950 -11.396 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.393 4.403 -10.401 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.370 2.966 -10.159 1.00 0.00 H new ATOM 965 N ALA A 72 -6.385 5.068 -7.116 1.00 0.00 N ATOM 966 CA ALA A 72 -7.557 5.642 -6.477 1.00 0.00 C ATOM 967 C ALA A 72 -7.727 7.106 -6.857 1.00 0.00 C ATOM 968 O ALA A 72 -6.803 7.743 -7.360 1.00 0.00 O ATOM 969 CB ALA A 72 -7.460 5.494 -4.965 1.00 0.00 C ATOM 0 H ALA A 72 -5.691 5.750 -7.421 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.434 5.099 -6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.345 5.928 -4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.396 4.437 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.570 6.010 -4.605 1.00 0.00 H new ATOM 975 N SER A 73 -8.917 7.624 -6.621 1.00 0.00 N ATOM 976 CA SER A 73 -9.227 9.009 -6.916 1.00 0.00 C ATOM 977 C SER A 73 -9.398 9.744 -5.597 1.00 0.00 C ATOM 978 O SER A 73 -10.253 9.382 -4.786 1.00 0.00 O ATOM 979 CB SER A 73 -10.497 9.099 -7.770 1.00 0.00 C ATOM 980 OG SER A 73 -10.702 10.415 -8.256 1.00 0.00 O ATOM 0 H SER A 73 -9.694 7.098 -6.221 1.00 0.00 H new ATOM 0 HA SER A 73 -8.420 9.468 -7.487 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.423 8.407 -8.609 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.358 8.790 -7.178 1.00 0.00 H new ATOM 0 HG SER A 73 -11.621 10.695 -8.064 1.00 0.00 H new ATOM 985 N CYS A 74 -8.581 10.758 -5.371 1.00 0.00 N ATOM 986 CA CYS A 74 -8.629 11.490 -4.117 1.00 0.00 C ATOM 987 C CYS A 74 -8.902 12.968 -4.313 1.00 0.00 C ATOM 988 O CYS A 74 -8.536 13.555 -5.330 1.00 0.00 O ATOM 989 CB CYS A 74 -7.306 11.322 -3.388 1.00 0.00 C ATOM 990 SG CYS A 74 -6.770 9.597 -3.236 1.00 0.00 S ATOM 0 H CYS A 74 -7.881 11.092 -6.034 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.453 11.079 -3.533 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.537 11.887 -3.915 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.393 11.755 -2.392 1.00 0.00 H new ATOM 994 N LYS A 75 -9.573 13.550 -3.334 1.00 0.00 N ATOM 995 CA LYS A 75 -9.883 14.969 -3.341 1.00 0.00 C ATOM 996 C LYS A 75 -8.895 15.713 -2.441 1.00 0.00 C ATOM 997 O LYS A 75 -8.448 15.171 -1.428 1.00 0.00 O ATOM 998 CB LYS A 75 -11.336 15.191 -2.883 1.00 0.00 C ATOM 999 CG LYS A 75 -11.670 16.634 -2.526 1.00 0.00 C ATOM 1000 CD LYS A 75 -11.471 16.887 -1.039 1.00 0.00 C ATOM 1001 CE LYS A 75 -11.415 18.369 -0.717 1.00 0.00 C ATOM 1002 NZ LYS A 75 -11.381 18.617 0.751 1.00 0.00 N ATOM 0 H LYS A 75 -9.918 13.053 -2.513 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.787 15.363 -4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.008 14.861 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.531 14.560 -2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.038 17.310 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.702 16.851 -2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.285 16.425 -0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.548 16.409 -0.710 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.531 18.808 -1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.282 18.868 -1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.343 19.641 0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.236 18.221 1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.540 18.163 1.160 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.539 16.938 -2.815 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.624 17.713 -1.999 1.00 0.00 C ATOM 1014 C GLY A 76 -6.924 18.805 -2.777 1.00 0.00 C ATOM 1015 O GLY A 76 -6.583 19.847 -2.222 1.00 0.00 O ATOM 0 H GLY A 76 -8.865 17.404 -3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.173 18.159 -1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.878 17.047 -1.566 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.703 18.554 -4.062 1.00 0.00 N ATOM 1020 CA ALA A 77 -6.044 19.511 -4.945 1.00 0.00 C ATOM 1021 C ALA A 77 -6.715 20.878 -4.914 1.00 0.00 C ATOM 1022 O ALA A 77 -6.039 21.908 -4.885 1.00 0.00 O ATOM 1023 CB ALA A 77 -6.021 18.974 -6.366 1.00 0.00 C ATOM 0 H ALA A 77 -6.974 17.684 -4.521 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.024 19.641 -4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.528 19.694 -7.019 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.476 18.030 -6.389 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.042 18.812 -6.710 1.00 0.00 H new ATOM 1029 N ASP A 78 -8.043 20.882 -4.905 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.809 22.126 -4.889 1.00 0.00 C ATOM 1031 C ASP A 78 -10.292 21.820 -4.705 1.00 0.00 C ATOM 1032 O ASP A 78 -11.132 22.240 -5.497 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.579 22.910 -6.193 1.00 0.00 C ATOM 1034 CG ASP A 78 -9.198 24.295 -6.172 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -8.932 25.058 -5.221 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -9.952 24.626 -7.111 1.00 0.00 O ATOM 0 H ASP A 78 -8.614 20.037 -4.909 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.471 22.740 -4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.507 23.000 -6.371 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.995 22.345 -7.028 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.604 21.048 -3.669 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.988 20.683 -3.395 1.00 0.00 C ATOM 1042 C GLY A 79 -12.519 19.659 -4.378 1.00 0.00 C ATOM 1043 O GLY A 79 -13.660 19.210 -4.275 1.00 0.00 O ATOM 0 H GLY A 79 -9.924 20.666 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.063 20.285 -2.383 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.611 21.576 -3.433 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.676 19.282 -5.321 1.00 0.00 N ATOM 1048 CA GLN A 80 -12.035 18.321 -6.343 1.00 0.00 C ATOM 1049 C GLN A 80 -11.128 17.104 -6.259 1.00 0.00 C ATOM 1050 O GLN A 80 -10.028 17.175 -5.696 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.935 18.965 -7.727 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.576 19.579 -8.025 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.494 20.131 -9.432 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -11.133 19.622 -10.347 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.711 21.182 -9.611 1.00 0.00 N ATOM 0 H GLN A 80 -10.722 19.635 -5.399 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.064 18.000 -6.181 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.156 18.212 -8.484 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.699 19.738 -7.813 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.376 20.378 -7.311 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.801 18.826 -7.886 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.197 21.575 -8.823 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.622 21.600 -10.537 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.598 15.997 -6.806 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.841 14.755 -6.800 1.00 0.00 C ATOM 1064 C TYR A 81 -10.168 14.534 -8.151 1.00 0.00 C ATOM 1065 O TYR A 81 -10.433 15.262 -9.108 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.754 13.570 -6.452 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.961 13.445 -7.352 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.835 12.941 -8.635 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -14.221 13.840 -6.920 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.924 12.836 -9.471 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -15.322 13.735 -7.750 1.00 0.00 C ATOM 1072 CZ TYR A 81 -15.167 13.233 -9.027 1.00 0.00 C ATOM 1073 OH TYR A 81 -16.254 13.136 -9.863 1.00 0.00 O ATOM 0 H TYR A 81 -12.507 15.932 -7.264 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.066 14.827 -6.037 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.174 12.649 -6.507 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.091 13.674 -5.421 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.864 12.624 -8.987 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.342 14.235 -5.922 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.805 12.444 -10.470 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -16.297 14.044 -7.402 1.00 0.00 H new ATOM 0 HH TYR A 81 -17.055 13.456 -9.397 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.301 13.531 -8.217 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.581 13.195 -9.441 1.00 0.00 C ATOM 1084 C HIS A 82 -7.999 11.791 -9.328 1.00 0.00 C ATOM 1085 O HIS A 82 -7.718 11.321 -8.227 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.465 14.210 -9.707 1.00 0.00 C ATOM 1087 CG HIS A 82 -7.694 15.049 -10.930 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -8.671 16.018 -11.007 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -7.059 15.065 -12.127 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -8.627 16.594 -12.192 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -7.659 16.036 -12.891 1.00 0.00 N ATOM 0 H HIS A 82 -9.077 12.928 -7.425 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.279 13.227 -10.277 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.367 14.865 -8.841 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.520 13.678 -9.813 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -9.327 16.253 -10.262 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.235 14.433 -12.424 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.275 17.389 -12.532 1.00 0.00 H new ATOM 1099 N ASP A 83 -7.853 11.122 -10.465 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.309 9.762 -10.512 1.00 0.00 C ATOM 1101 C ASP A 83 -5.800 9.773 -10.299 1.00 0.00 C ATOM 1102 O ASP A 83 -5.084 10.559 -10.923 1.00 0.00 O ATOM 1103 CB ASP A 83 -7.644 9.117 -11.861 1.00 0.00 C ATOM 1104 CG ASP A 83 -7.079 7.718 -12.006 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -5.934 7.582 -12.485 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -7.786 6.749 -11.661 1.00 0.00 O ATOM 0 H ASP A 83 -8.105 11.500 -11.378 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.762 9.180 -9.710 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.727 9.080 -11.981 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.256 9.744 -12.664 1.00 0.00 H new ATOM 1110 N SER A 84 -5.324 8.902 -9.421 1.00 0.00 N ATOM 1111 CA SER A 84 -3.904 8.819 -9.119 1.00 0.00 C ATOM 1112 C SER A 84 -3.507 7.389 -8.763 1.00 0.00 C ATOM 1113 O SER A 84 -4.353 6.577 -8.380 1.00 0.00 O ATOM 1114 CB SER A 84 -3.580 9.765 -7.959 1.00 0.00 C ATOM 1115 OG SER A 84 -2.200 9.755 -7.637 1.00 0.00 O ATOM 0 H SER A 84 -5.904 8.241 -8.904 1.00 0.00 H new ATOM 0 HA SER A 84 -3.335 9.114 -10.001 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.884 10.778 -8.222 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.159 9.476 -7.082 1.00 0.00 H new ATOM 0 HG SER A 84 -1.672 9.719 -8.462 1.00 0.00 H new ATOM 1120 N SER A 85 -2.222 7.081 -8.897 1.00 0.00 N ATOM 1121 CA SER A 85 -1.729 5.753 -8.577 1.00 0.00 C ATOM 1122 C SER A 85 -0.446 5.831 -7.766 1.00 0.00 C ATOM 1123 O SER A 85 0.252 6.846 -7.769 1.00 0.00 O ATOM 1124 CB SER A 85 -1.452 4.947 -9.842 1.00 0.00 C ATOM 1125 OG SER A 85 -2.134 5.484 -10.961 1.00 0.00 O ATOM 0 H SER A 85 -1.508 7.732 -9.224 1.00 0.00 H new ATOM 0 HA SER A 85 -2.505 5.258 -7.993 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.380 4.935 -10.039 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.759 3.912 -9.690 1.00 0.00 H new ATOM 0 HG SER A 85 -1.934 4.946 -11.755 1.00 0.00 H new ATOM 1130 N MET A 86 -0.145 4.743 -7.086 1.00 0.00 N ATOM 1131 CA MET A 86 1.049 4.641 -6.276 1.00 0.00 C ATOM 1132 C MET A 86 1.555 3.207 -6.292 1.00 0.00 C ATOM 1133 O MET A 86 0.845 2.290 -5.880 1.00 0.00 O ATOM 1134 CB MET A 86 0.749 5.085 -4.845 1.00 0.00 C ATOM 1135 CG MET A 86 1.926 4.929 -3.899 1.00 0.00 C ATOM 1136 SD MET A 86 3.471 5.525 -4.620 1.00 0.00 S ATOM 1137 CE MET A 86 3.017 7.183 -5.132 1.00 0.00 C ATOM 0 H MET A 86 -0.724 3.903 -7.081 1.00 0.00 H new ATOM 0 HA MET A 86 1.821 5.293 -6.686 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.439 6.130 -4.856 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.092 4.506 -4.463 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.723 5.475 -2.978 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.035 3.879 -3.629 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.915 7.741 -5.396 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.357 7.129 -5.997 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.503 7.688 -4.314 1.00 0.00 H new ATOM 1145 N ASP A 87 2.765 3.008 -6.790 1.00 0.00 N ATOM 1146 CA ASP A 87 3.341 1.676 -6.854 1.00 0.00 C ATOM 1147 C ASP A 87 3.806 1.249 -5.469 1.00 0.00 C ATOM 1148 O ASP A 87 4.814 1.730 -4.955 1.00 0.00 O ATOM 1149 CB ASP A 87 4.502 1.625 -7.850 1.00 0.00 C ATOM 1150 CG ASP A 87 4.814 0.212 -8.303 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.061 -0.718 -7.937 1.00 0.00 O ATOM 1152 OD2 ASP A 87 5.792 0.028 -9.055 1.00 0.00 O ATOM 0 H ASP A 87 3.364 3.749 -7.154 1.00 0.00 H new ATOM 0 HA ASP A 87 2.575 0.984 -7.202 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.259 2.237 -8.719 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.390 2.061 -7.392 1.00 0.00 H new ATOM 1156 N LEU A 88 3.059 0.333 -4.879 1.00 0.00 N ATOM 1157 CA LEU A 88 3.343 -0.167 -3.543 1.00 0.00 C ATOM 1158 C LEU A 88 4.550 -1.090 -3.560 1.00 0.00 C ATOM 1159 O LEU A 88 5.051 -1.488 -2.509 1.00 0.00 O ATOM 1160 CB LEU A 88 2.129 -0.915 -2.998 1.00 0.00 C ATOM 1161 CG LEU A 88 0.777 -0.249 -3.266 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.344 -1.076 -2.665 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.760 1.164 -2.702 1.00 0.00 C ATOM 0 H LEU A 88 2.237 -0.087 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 88 3.564 0.683 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.115 -1.915 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.250 -1.035 -1.921 1.00 0.00 H new ATOM 0 HG LEU A 88 0.625 -0.190 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.300 -0.591 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.342 -2.070 -3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.196 -1.161 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.208 1.624 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.931 1.128 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.546 1.754 -3.174 1.00 0.00 H new ATOM 1174 N ASN A 89 5.000 -1.436 -4.759 1.00 0.00 N ATOM 1175 CA ASN A 89 6.158 -2.309 -4.934 1.00 0.00 C ATOM 1176 C ASN A 89 7.353 -1.816 -4.111 1.00 0.00 C ATOM 1177 O ASN A 89 8.188 -2.612 -3.681 1.00 0.00 O ATOM 1178 CB ASN A 89 6.529 -2.395 -6.421 1.00 0.00 C ATOM 1179 CG ASN A 89 7.630 -3.401 -6.700 1.00 0.00 C ATOM 1180 OD1 ASN A 89 8.813 -3.072 -6.656 1.00 0.00 O ATOM 1181 ND2 ASN A 89 7.244 -4.630 -7.018 1.00 0.00 N ATOM 0 H ASN A 89 4.578 -1.123 -5.633 1.00 0.00 H new ATOM 0 HA ASN A 89 5.894 -3.304 -4.575 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.643 -2.665 -6.996 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.846 -1.412 -6.768 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.940 -5.342 -7.237 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.251 -4.862 -7.043 1.00 0.00 H new ATOM 1187 N TYR A 90 7.411 -0.510 -3.853 1.00 0.00 N ATOM 1188 CA TYR A 90 8.504 0.050 -3.076 1.00 0.00 C ATOM 1189 C TYR A 90 8.004 0.691 -1.785 1.00 0.00 C ATOM 1190 O TYR A 90 8.699 1.507 -1.176 1.00 0.00 O ATOM 1191 CB TYR A 90 9.331 1.044 -3.906 1.00 0.00 C ATOM 1192 CG TYR A 90 8.554 2.194 -4.525 1.00 0.00 C ATOM 1193 CD1 TYR A 90 8.382 3.392 -3.841 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.022 2.090 -5.806 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.703 4.451 -4.413 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.339 3.144 -6.383 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.184 4.323 -5.682 1.00 0.00 C ATOM 1198 OH TYR A 90 6.512 5.381 -6.259 1.00 0.00 O ATOM 0 H TYR A 90 6.719 0.170 -4.169 1.00 0.00 H new ATOM 0 HA TYR A 90 9.160 -0.775 -2.799 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.112 1.459 -3.269 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.829 0.495 -4.705 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.786 3.497 -2.845 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.145 1.170 -6.359 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.580 5.375 -3.867 1.00 0.00 H new ATOM 0 HE2 TYR A 90 6.929 3.046 -7.377 1.00 0.00 H new ATOM 0 HH TYR A 90 5.633 5.479 -5.838 1.00 0.00 H new ATOM 1207 N VAL A 91 6.796 0.318 -1.365 1.00 0.00 N ATOM 1208 CA VAL A 91 6.230 0.854 -0.133 1.00 0.00 C ATOM 1209 C VAL A 91 5.800 -0.278 0.798 1.00 0.00 C ATOM 1210 O VAL A 91 5.436 -0.049 1.955 1.00 0.00 O ATOM 1211 CB VAL A 91 5.049 1.833 -0.387 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.298 2.670 -1.612 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.706 1.143 -0.495 1.00 0.00 C ATOM 0 H VAL A 91 6.197 -0.346 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 91 7.018 1.433 0.349 1.00 0.00 H new ATOM 0 HB VAL A 91 5.003 2.477 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.457 3.346 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.211 3.251 -1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.407 2.020 -2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.928 1.886 -0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.726 0.435 -1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.495 0.611 0.432 1.00 0.00 H new ATOM 1223 N VAL A 92 5.863 -1.506 0.291 1.00 0.00 N ATOM 1224 CA VAL A 92 5.490 -2.679 1.071 1.00 0.00 C ATOM 1225 C VAL A 92 6.141 -3.948 0.514 1.00 0.00 C ATOM 1226 O VAL A 92 6.341 -4.082 -0.697 1.00 0.00 O ATOM 1227 CB VAL A 92 3.950 -2.848 1.125 1.00 0.00 C ATOM 1228 CG1 VAL A 92 3.354 -2.947 -0.263 1.00 0.00 C ATOM 1229 CG2 VAL A 92 3.548 -4.048 1.973 1.00 0.00 C ATOM 0 H VAL A 92 6.170 -1.713 -0.659 1.00 0.00 H new ATOM 0 HA VAL A 92 5.857 -2.523 2.086 1.00 0.00 H new ATOM 0 HB VAL A 92 3.546 -1.954 1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.273 -3.065 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.582 -2.040 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.777 -3.808 -0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.462 -4.135 1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.979 -4.955 1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.915 -3.914 2.990 1.00 0.00 H new ATOM 1239 N GLY A 93 6.495 -4.857 1.415 1.00 0.00 N ATOM 1240 CA GLY A 93 7.105 -6.113 1.030 1.00 0.00 C ATOM 1241 C GLY A 93 6.507 -7.285 1.786 1.00 0.00 C ATOM 1242 O GLY A 93 5.548 -7.118 2.542 1.00 0.00 O ATOM 0 H GLY A 93 6.367 -4.742 2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.975 -6.267 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.178 -6.069 1.218 1.00 0.00 H new ATOM 1246 N ASN A 94 7.077 -8.464 1.591 1.00 0.00 N ATOM 1247 CA ASN A 94 6.590 -9.670 2.256 1.00 0.00 C ATOM 1248 C ASN A 94 7.715 -10.370 3.006 1.00 0.00 C ATOM 1249 O ASN A 94 8.793 -10.605 2.456 1.00 0.00 O ATOM 1250 CB ASN A 94 5.982 -10.637 1.238 1.00 0.00 C ATOM 1251 CG ASN A 94 5.604 -11.975 1.857 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.194 -12.054 3.014 1.00 0.00 O ATOM 1253 ND2 ASN A 94 5.754 -13.041 1.089 1.00 0.00 N ATOM 0 H ASN A 94 7.878 -8.615 0.978 1.00 0.00 H new ATOM 0 HA ASN A 94 5.823 -9.368 2.969 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.096 -10.183 0.795 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.694 -10.803 0.429 1.00 0.00 H new ATOM 0 HD21 ASN A 94 5.527 -13.967 1.452 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.097 -12.937 0.134 1.00 0.00 H new ATOM 1259 N SER A 95 7.456 -10.714 4.258 1.00 0.00 N ATOM 1260 CA SER A 95 8.430 -11.394 5.081 1.00 0.00 C ATOM 1261 C SER A 95 7.782 -12.530 5.850 1.00 0.00 C ATOM 1262 O SER A 95 6.962 -12.300 6.737 1.00 0.00 O ATOM 1263 CB SER A 95 9.068 -10.426 6.059 1.00 0.00 C ATOM 1264 OG SER A 95 9.864 -9.462 5.387 1.00 0.00 O ATOM 0 H SER A 95 6.568 -10.529 4.725 1.00 0.00 H new ATOM 0 HA SER A 95 9.198 -11.801 4.424 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.291 -9.922 6.634 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.684 -10.977 6.770 1.00 0.00 H new ATOM 0 HG SER A 95 10.385 -8.953 6.043 1.00 0.00 H new ATOM 1269 N TYR A 96 8.140 -13.752 5.479 1.00 0.00 N ATOM 1270 CA TYR A 96 7.630 -14.949 6.136 1.00 0.00 C ATOM 1271 C TYR A 96 6.112 -15.021 6.034 1.00 0.00 C ATOM 1272 O TYR A 96 5.426 -15.370 6.999 1.00 0.00 O ATOM 1273 CB TYR A 96 8.078 -14.983 7.603 1.00 0.00 C ATOM 1274 CG TYR A 96 9.567 -14.761 7.774 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.489 -15.690 7.309 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.046 -13.608 8.382 1.00 0.00 C ATOM 1277 CE1 TYR A 96 11.847 -15.475 7.450 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.400 -13.384 8.522 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.296 -14.321 8.057 1.00 0.00 C ATOM 1280 OH TYR A 96 13.647 -14.094 8.188 1.00 0.00 O ATOM 0 H TYR A 96 8.790 -13.942 4.716 1.00 0.00 H new ATOM 0 HA TYR A 96 8.041 -15.821 5.627 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.536 -14.219 8.160 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.808 -15.946 8.037 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.140 -16.593 6.831 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.346 -12.873 8.752 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.553 -16.207 7.087 1.00 0.00 H new ATOM 0 HE2 TYR A 96 11.755 -12.480 8.993 1.00 0.00 H new ATOM 0 HH TYR A 96 13.792 -13.235 8.637 1.00 0.00 H new ATOM 1289 N GLY A 97 5.598 -14.705 4.847 1.00 0.00 N ATOM 1290 CA GLY A 97 4.167 -14.731 4.615 1.00 0.00 C ATOM 1291 C GLY A 97 3.428 -13.751 5.496 1.00 0.00 C ATOM 1292 O GLY A 97 2.240 -13.925 5.771 1.00 0.00 O ATOM 0 H GLY A 97 6.154 -14.430 4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.966 -14.500 3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.789 -15.737 4.797 1.00 0.00 H new ATOM 1296 N TYR A 98 4.126 -12.719 5.940 1.00 0.00 N ATOM 1297 CA TYR A 98 3.527 -11.724 6.803 1.00 0.00 C ATOM 1298 C TYR A 98 3.743 -10.333 6.228 1.00 0.00 C ATOM 1299 O TYR A 98 4.756 -10.068 5.574 1.00 0.00 O ATOM 1300 CB TYR A 98 4.126 -11.819 8.204 1.00 0.00 C ATOM 1301 CG TYR A 98 3.195 -11.334 9.291 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.148 -12.133 9.732 1.00 0.00 C ATOM 1303 CD2 TYR A 98 3.362 -10.086 9.877 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.295 -11.703 10.729 1.00 0.00 C ATOM 1305 CE2 TYR A 98 2.511 -9.648 10.874 1.00 0.00 C ATOM 1306 CZ TYR A 98 1.479 -10.460 11.295 1.00 0.00 C ATOM 1307 OH TYR A 98 0.632 -10.034 12.292 1.00 0.00 O ATOM 0 H TYR A 98 5.107 -12.552 5.715 1.00 0.00 H new ATOM 0 HA TYR A 98 2.455 -11.910 6.867 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.398 -12.855 8.405 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.046 -11.236 8.238 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.999 -13.106 9.288 1.00 0.00 H new ATOM 0 HD2 TYR A 98 4.169 -9.448 9.549 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.488 -12.338 11.064 1.00 0.00 H new ATOM 0 HE2 TYR A 98 2.653 -8.675 11.321 1.00 0.00 H new ATOM 0 HH TYR A 98 0.897 -9.137 12.585 1.00 0.00 H new ATOM 1316 N MET A 99 2.775 -9.460 6.469 1.00 0.00 N ATOM 1317 CA MET A 99 2.824 -8.089 5.980 1.00 0.00 C ATOM 1318 C MET A 99 4.037 -7.331 6.513 1.00 0.00 C ATOM 1319 O MET A 99 4.296 -7.312 7.717 1.00 0.00 O ATOM 1320 CB MET A 99 1.547 -7.334 6.369 1.00 0.00 C ATOM 1321 CG MET A 99 1.354 -7.168 7.871 1.00 0.00 C ATOM 1322 SD MET A 99 -0.020 -6.075 8.283 1.00 0.00 S ATOM 1323 CE MET A 99 0.106 -6.031 10.069 1.00 0.00 C ATOM 0 H MET A 99 1.937 -9.681 7.007 1.00 0.00 H new ATOM 0 HA MET A 99 2.907 -8.144 4.895 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.566 -6.348 5.905 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.686 -7.863 5.959 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.182 -8.146 8.321 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.271 -6.773 8.309 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.680 -5.393 10.474 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.005 -7.040 10.467 1.00 0.00 H new ATOM 0 HE3 MET A 99 1.080 -5.634 10.355 1.00 0.00 H new ATOM 1331 N GLU A 100 4.775 -6.716 5.601 1.00 0.00 N ATOM 1332 CA GLU A 100 5.941 -5.922 5.951 1.00 0.00 C ATOM 1333 C GLU A 100 5.999 -4.673 5.085 1.00 0.00 C ATOM 1334 O GLU A 100 6.737 -4.617 4.106 1.00 0.00 O ATOM 1335 CB GLU A 100 7.223 -6.733 5.788 1.00 0.00 C ATOM 1336 CG GLU A 100 7.595 -7.528 7.022 1.00 0.00 C ATOM 1337 CD GLU A 100 7.975 -6.649 8.192 1.00 0.00 C ATOM 1338 OE1 GLU A 100 8.899 -5.822 8.042 1.00 0.00 O ATOM 1339 OE2 GLU A 100 7.371 -6.794 9.275 1.00 0.00 O ATOM 0 H GLU A 100 4.582 -6.754 4.600 1.00 0.00 H new ATOM 0 HA GLU A 100 5.854 -5.629 6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.107 -7.416 4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.042 -6.058 5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.755 -8.162 7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.428 -8.190 6.785 1.00 0.00 H new ATOM 1344 N PRO A 101 5.188 -3.664 5.414 1.00 0.00 N ATOM 1345 CA PRO A 101 5.153 -2.414 4.663 1.00 0.00 C ATOM 1346 C PRO A 101 6.394 -1.570 4.910 1.00 0.00 C ATOM 1347 O PRO A 101 6.453 -0.777 5.850 1.00 0.00 O ATOM 1348 CB PRO A 101 3.907 -1.712 5.181 1.00 0.00 C ATOM 1349 CG PRO A 101 3.677 -2.275 6.545 1.00 0.00 C ATOM 1350 CD PRO A 101 4.246 -3.668 6.543 1.00 0.00 C ATOM 0 HA PRO A 101 5.131 -2.583 3.586 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.051 -0.632 5.220 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.052 -1.896 4.530 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.162 -1.661 7.303 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.613 -2.292 6.781 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.750 -3.895 7.483 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.466 -4.418 6.410 1.00 0.00 H new ATOM 1355 N CYS A 102 7.381 -1.758 4.064 1.00 0.00 N ATOM 1356 CA CYS A 102 8.629 -1.033 4.179 1.00 0.00 C ATOM 1357 C CYS A 102 8.845 -0.103 3.000 1.00 0.00 C ATOM 1358 O CYS A 102 8.846 -0.517 1.843 1.00 0.00 O ATOM 1359 CB CYS A 102 9.803 -1.998 4.316 1.00 0.00 C ATOM 1360 SG CYS A 102 9.672 -3.503 3.283 1.00 0.00 S ATOM 0 H CYS A 102 7.344 -2.412 3.282 1.00 0.00 H new ATOM 0 HA CYS A 102 8.570 -0.422 5.080 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.722 -1.472 4.055 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.892 -2.296 5.361 1.00 0.00 H new ATOM 1364 N ARG A 103 8.989 1.165 3.316 1.00 0.00 N ATOM 1365 CA ARG A 103 9.227 2.184 2.316 1.00 0.00 C ATOM 1366 C ARG A 103 10.625 2.755 2.511 1.00 0.00 C ATOM 1367 O ARG A 103 11.122 2.812 3.635 1.00 0.00 O ATOM 1368 CB ARG A 103 8.180 3.308 2.401 1.00 0.00 C ATOM 1369 CG ARG A 103 8.463 4.351 3.477 1.00 0.00 C ATOM 1370 CD ARG A 103 8.276 3.805 4.884 1.00 0.00 C ATOM 1371 NE ARG A 103 6.874 3.502 5.173 1.00 0.00 N ATOM 1372 CZ ARG A 103 6.349 3.531 6.398 1.00 0.00 C ATOM 1373 NH1 ARG A 103 7.128 3.763 7.448 1.00 0.00 N ATOM 1374 NH2 ARG A 103 5.052 3.309 6.574 1.00 0.00 N ATOM 0 H ARG A 103 8.945 1.519 4.272 1.00 0.00 H new ATOM 0 HA ARG A 103 9.144 1.730 1.328 1.00 0.00 H new ATOM 0 HB2 ARG A 103 8.122 3.808 1.434 1.00 0.00 H new ATOM 0 HB3 ARG A 103 7.203 2.864 2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 103 9.484 4.715 3.365 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.802 5.206 3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 103 8.874 2.902 5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 103 8.646 4.532 5.607 1.00 0.00 H new ATOM 0 HE ARG A 103 6.264 3.255 4.394 1.00 0.00 H new ATOM 0 HH11 ARG A 103 8.127 3.919 7.317 1.00 0.00 H new ATOM 0 HH12 ARG A 103 6.727 3.785 8.386 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.454 3.116 5.771 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.653 3.332 7.513 1.00 0.00 H new ATOM 1385 N ALA A 104 11.260 3.182 1.436 1.00 0.00 N ATOM 1386 CA ALA A 104 12.593 3.755 1.541 1.00 0.00 C ATOM 1387 C ALA A 104 12.520 5.277 1.511 1.00 0.00 C ATOM 1388 O ALA A 104 13.246 5.936 0.763 1.00 0.00 O ATOM 1389 CB ALA A 104 13.495 3.226 0.435 1.00 0.00 C ATOM 0 H ALA A 104 10.882 3.145 0.489 1.00 0.00 H new ATOM 0 HA ALA A 104 13.026 3.455 2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.487 3.667 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.571 2.142 0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.074 3.490 -0.535 1.00 0.00 H new ATOM 1395 N SER A 105 11.626 5.819 2.329 1.00 0.00 N ATOM 1396 CA SER A 105 11.410 7.241 2.421 1.00 0.00 C ATOM 1397 C SER A 105 10.507 7.516 3.632 1.00 0.00 C ATOM 1398 O SER A 105 10.706 6.941 4.701 1.00 0.00 O ATOM 1399 CB SER A 105 10.766 7.726 1.111 1.00 0.00 C ATOM 1400 OG SER A 105 10.641 9.136 1.068 1.00 0.00 O ATOM 0 H SER A 105 11.030 5.271 2.949 1.00 0.00 H new ATOM 0 HA SER A 105 12.347 7.780 2.560 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.367 7.390 0.266 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.781 7.272 1.002 1.00 0.00 H new ATOM 0 HG SER A 105 10.229 9.402 0.219 1.00 0.00 H new ATOM 1405 N ASN A 106 9.504 8.356 3.422 1.00 0.00 N ATOM 1406 CA ASN A 106 8.526 8.754 4.447 1.00 0.00 C ATOM 1407 C ASN A 106 9.131 9.696 5.478 1.00 0.00 C ATOM 1408 O ASN A 106 9.931 9.299 6.326 1.00 0.00 O ATOM 1409 CB ASN A 106 7.890 7.544 5.145 1.00 0.00 C ATOM 1410 CG ASN A 106 6.875 7.946 6.210 1.00 0.00 C ATOM 1411 OD1 ASN A 106 7.206 8.064 7.391 1.00 0.00 O ATOM 1412 ND2 ASN A 106 5.634 8.169 5.798 1.00 0.00 N ATOM 0 H ASN A 106 9.336 8.795 2.517 1.00 0.00 H new ATOM 0 HA ASN A 106 7.738 9.289 3.917 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.400 6.916 4.401 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.673 6.941 5.605 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.917 8.448 6.467 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.397 8.061 4.812 1.00 0.00 H new ATOM 1418 N ALA A 107 8.727 10.951 5.388 1.00 0.00 N ATOM 1419 CA ALA A 107 9.181 11.988 6.299 1.00 0.00 C ATOM 1420 C ALA A 107 8.267 13.198 6.187 1.00 0.00 C ATOM 1421 O ALA A 107 7.514 13.311 5.217 1.00 0.00 O ATOM 1422 CB ALA A 107 10.620 12.375 6.008 1.00 0.00 C ATOM 0 H ALA A 107 8.073 11.281 4.679 1.00 0.00 H new ATOM 0 HA ALA A 107 9.142 11.603 7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 107 10.935 13.153 6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 107 11.262 11.502 6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 107 10.697 12.749 4.987 1.00 0.00 H new ATOM 1428 N ASP A 108 8.325 14.089 7.164 1.00 0.00 N ATOM 1429 CA ASP A 108 7.481 15.279 7.158 1.00 0.00 C ATOM 1430 C ASP A 108 7.925 16.243 6.065 1.00 0.00 C ATOM 1431 O ASP A 108 7.241 16.421 5.054 1.00 0.00 O ATOM 1432 CB ASP A 108 7.514 15.958 8.529 1.00 0.00 C ATOM 1433 CG ASP A 108 6.583 17.149 8.609 1.00 0.00 C ATOM 1434 OD1 ASP A 108 5.362 16.945 8.760 1.00 0.00 O ATOM 1435 OD2 ASP A 108 7.070 18.294 8.532 1.00 0.00 O ATOM 0 H ASP A 108 8.945 14.014 7.970 1.00 0.00 H new ATOM 0 HA ASP A 108 6.454 14.979 6.948 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.239 15.234 9.296 1.00 0.00 H new ATOM 0 HB3 ASP A 108 8.532 16.282 8.746 1.00 0.00 H new ATOM 1439 N HIS A 109 9.077 16.848 6.270 1.00 0.00 N ATOM 1440 CA HIS A 109 9.644 17.784 5.310 1.00 0.00 C ATOM 1441 C HIS A 109 11.019 17.320 4.853 1.00 0.00 C ATOM 1442 O HIS A 109 11.346 17.405 3.668 1.00 0.00 O ATOM 1443 CB HIS A 109 9.728 19.193 5.898 1.00 0.00 C ATOM 1444 CG HIS A 109 8.478 19.999 5.708 1.00 0.00 C ATOM 1445 ND1 HIS A 109 7.396 19.927 6.556 1.00 0.00 N ATOM 1446 CD2 HIS A 109 8.145 20.908 4.759 1.00 0.00 C ATOM 1447 CE1 HIS A 109 6.455 20.750 6.139 1.00 0.00 C ATOM 1448 NE2 HIS A 109 6.881 21.358 5.051 1.00 0.00 N ATOM 0 H HIS A 109 9.648 16.708 7.103 1.00 0.00 H new ATOM 0 HA HIS A 109 8.982 17.815 4.445 1.00 0.00 H new ATOM 0 HB2 HIS A 109 9.945 19.120 6.964 1.00 0.00 H new ATOM 0 HB3 HIS A 109 10.564 19.720 5.438 1.00 0.00 H new ATOM 0 HD1 HIS A 109 7.332 19.329 7.380 1.00 0.00 H new ATOM 0 HD2 HIS A 109 8.760 21.220 3.928 1.00 0.00 H new ATOM 0 HE1 HIS A 109 5.495 20.901 6.610 1.00 0.00 H new ATOM 1456 N VAL A 110 11.826 16.824 5.786 1.00 0.00 N ATOM 1457 CA VAL A 110 13.153 16.333 5.448 1.00 0.00 C ATOM 1458 C VAL A 110 13.053 14.900 4.917 1.00 0.00 C ATOM 1459 O VAL A 110 13.290 13.918 5.624 1.00 0.00 O ATOM 1460 CB VAL A 110 14.140 16.438 6.645 1.00 0.00 C ATOM 1461 CG1 VAL A 110 13.624 15.693 7.864 1.00 0.00 C ATOM 1462 CG2 VAL A 110 15.528 15.945 6.256 1.00 0.00 C ATOM 0 H VAL A 110 11.585 16.753 6.774 1.00 0.00 H new ATOM 0 HA VAL A 110 13.563 16.968 4.663 1.00 0.00 H new ATOM 0 HB VAL A 110 14.216 17.492 6.911 1.00 0.00 H new ATOM 0 HG11 VAL A 110 14.341 15.789 8.680 1.00 0.00 H new ATOM 0 HG12 VAL A 110 12.667 16.115 8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 110 13.494 14.639 7.618 1.00 0.00 H new ATOM 0 HG21 VAL A 110 16.197 16.030 7.112 1.00 0.00 H new ATOM 0 HG22 VAL A 110 15.469 14.903 5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 110 15.912 16.549 5.434 1.00 0.00 H new ATOM 1472 N LEU A 111 12.659 14.796 3.655 1.00 0.00 N ATOM 1473 CA LEU A 111 12.489 13.510 2.998 1.00 0.00 C ATOM 1474 C LEU A 111 13.844 12.859 2.736 1.00 0.00 C ATOM 1475 O LEU A 111 14.402 12.967 1.642 1.00 0.00 O ATOM 1476 CB LEU A 111 11.726 13.697 1.684 1.00 0.00 C ATOM 1477 CG LEU A 111 11.039 12.441 1.143 1.00 0.00 C ATOM 1478 CD1 LEU A 111 9.899 12.024 2.061 1.00 0.00 C ATOM 1479 CD2 LEU A 111 10.528 12.680 -0.270 1.00 0.00 C ATOM 0 H LEU A 111 12.449 15.598 3.061 1.00 0.00 H new ATOM 0 HA LEU A 111 11.916 12.854 3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.972 14.471 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.420 14.065 0.929 1.00 0.00 H new ATOM 0 HG LEU A 111 11.770 11.633 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 111 9.420 11.129 1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.291 11.814 3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 111 9.168 12.830 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 111 10.042 11.777 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 111 9.811 13.501 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.364 12.934 -0.921 1.00 0.00 H new ATOM 1490 N LYS A 112 14.376 12.201 3.754 1.00 0.00 N ATOM 1491 CA LYS A 112 15.662 11.539 3.646 1.00 0.00 C ATOM 1492 C LYS A 112 15.505 10.091 3.197 1.00 0.00 C ATOM 1493 O LYS A 112 15.018 9.239 3.941 1.00 0.00 O ATOM 1494 CB LYS A 112 16.415 11.589 4.981 1.00 0.00 C ATOM 1495 CG LYS A 112 15.611 11.064 6.160 1.00 0.00 C ATOM 1496 CD LYS A 112 16.498 10.758 7.353 1.00 0.00 C ATOM 1497 CE LYS A 112 17.432 9.594 7.078 1.00 0.00 C ATOM 1498 NZ LYS A 112 18.167 9.181 8.299 1.00 0.00 N ATOM 0 H LYS A 112 13.932 12.112 4.668 1.00 0.00 H new ATOM 0 HA LYS A 112 16.240 12.073 2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 112 17.333 11.008 4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 112 16.709 12.619 5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.860 11.800 6.445 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.077 10.162 5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 112 17.084 11.642 7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.876 10.528 8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 112 16.859 8.750 6.695 1.00 0.00 H new ATOM 0 HE3 LYS A 112 18.144 9.874 6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 19.189 9.181 8.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 17.960 9.847 9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 17.868 8.225 8.578 1.00 0.00 H new ATOM 1508 N SER A 113 15.911 9.816 1.974 1.00 0.00 N ATOM 1509 CA SER A 113 15.854 8.470 1.445 1.00 0.00 C ATOM 1510 C SER A 113 17.158 7.765 1.798 1.00 0.00 C ATOM 1511 O SER A 113 17.964 7.423 0.931 1.00 0.00 O ATOM 1512 CB SER A 113 15.636 8.510 -0.068 1.00 0.00 C ATOM 1513 OG SER A 113 14.459 9.238 -0.386 1.00 0.00 O ATOM 0 H SER A 113 16.285 10.510 1.327 1.00 0.00 H new ATOM 0 HA SER A 113 15.018 7.922 1.881 1.00 0.00 H new ATOM 0 HB2 SER A 113 16.497 8.971 -0.552 1.00 0.00 H new ATOM 0 HB3 SER A 113 15.558 7.494 -0.456 1.00 0.00 H new ATOM 0 HG SER A 113 14.337 9.254 -1.358 1.00 0.00 H new ATOM 1518 N SER A 114 17.371 7.585 3.094 1.00 0.00 N ATOM 1519 CA SER A 114 18.581 6.969 3.604 1.00 0.00 C ATOM 1520 C SER A 114 18.294 6.233 4.906 1.00 0.00 C ATOM 1521 O SER A 114 17.549 6.721 5.757 1.00 0.00 O ATOM 1522 CB SER A 114 19.632 8.058 3.845 1.00 0.00 C ATOM 1523 OG SER A 114 19.895 8.781 2.650 1.00 0.00 O ATOM 0 H SER A 114 16.709 7.863 3.818 1.00 0.00 H new ATOM 0 HA SER A 114 18.953 6.249 2.875 1.00 0.00 H new ATOM 0 HB2 SER A 114 19.283 8.741 4.619 1.00 0.00 H new ATOM 0 HB3 SER A 114 20.553 7.605 4.211 1.00 0.00 H new ATOM 0 HG SER A 114 20.567 9.472 2.827 1.00 0.00 H new ATOM 1528 N SER A 115 18.871 5.049 5.038 1.00 0.00 N ATOM 1529 CA SER A 115 18.708 4.243 6.236 1.00 0.00 C ATOM 1530 C SER A 115 19.496 4.863 7.384 1.00 0.00 C ATOM 1531 O SER A 115 19.098 4.786 8.549 1.00 0.00 O ATOM 1532 CB SER A 115 19.200 2.819 5.979 1.00 0.00 C ATOM 1533 OG SER A 115 18.494 2.220 4.902 1.00 0.00 O ATOM 0 H SER A 115 19.461 4.623 4.323 1.00 0.00 H new ATOM 0 HA SER A 115 17.651 4.210 6.502 1.00 0.00 H new ATOM 0 HB2 SER A 115 20.267 2.835 5.755 1.00 0.00 H new ATOM 0 HB3 SER A 115 19.072 2.219 6.880 1.00 0.00 H new ATOM 0 HG SER A 115 19.076 1.577 4.447 1.00 0.00 H new ATOM 1538 N GLU A 116 20.618 5.473 7.034 1.00 0.00 N ATOM 1539 CA GLU A 116 21.482 6.125 8.000 1.00 0.00 C ATOM 1540 C GLU A 116 20.799 7.361 8.570 1.00 0.00 C ATOM 1541 O GLU A 116 20.593 8.328 7.808 1.00 0.00 O ATOM 1542 CB GLU A 116 22.800 6.516 7.334 1.00 0.00 C ATOM 1543 CG GLU A 116 23.783 7.175 8.282 1.00 0.00 C ATOM 1544 CD GLU A 116 24.917 7.861 7.558 1.00 0.00 C ATOM 1545 OE1 GLU A 116 25.953 7.212 7.302 1.00 0.00 O ATOM 1546 OE2 GLU A 116 24.784 9.062 7.251 1.00 0.00 O ATOM 0 H GLU A 116 20.953 5.529 6.072 1.00 0.00 H new ATOM 0 HA GLU A 116 21.685 5.432 8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 116 23.261 5.625 6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 116 22.593 7.196 6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 116 23.256 7.904 8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 116 24.190 6.423 8.958 1.00 0.00 H new TER 1551 GLU A 116