USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=31 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 86 MET CE :methyl -176:sc= -6.73! (180deg=-7.24!) USER MOD Set 1.2: A 90 TYR OH : rot 20:sc= 0.0822 USER MOD Set 2.1: A 4 ASN : amide:sc= 0.338 K(o=-3.8,f=-5.1!) USER MOD Set 2.2: A 68 HIS : no HD1:sc= -3.51! K(o=-3.8!,f=0.58) USER MOD Set 2.3: A 69 THR OG1 : rot 180:sc= -0.81 USER MOD Set 2.4: A 89 ASN : amide:sc= 0.14 K(o=-3.8,f=-2.9!) USER MOD Set 3.1: A 65 ASN : amide:sc= -0.0609 K(o=-0.061,f=-1.3!) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-0.59) 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= 0.524 K(o=0.52,f=-7.3!) USER MOD Single : A 29 HIS : no HD1:sc= -0.269 X(o=-0.27,f=0.00074) USER MOD Single : A 31 HIS : no HD1:sc= -0.0382 X(o=-0.038,f=0) USER MOD Single : A 33 THR OG1 : rot 100:sc= -0.0601 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.17! K(o=-4.2!,f=-1.3) USER MOD Single : A 38 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.34) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -135:sc= 0.22 USER MOD Single : A 43 ASN : amide:sc= 0.836 K(o=0.84,f=-6.1!) USER MOD Single : A 45 ASN : amide:sc= 0.33 K(o=0.33,f=-7.9!) USER MOD Single : A 50 TYR OH : rot 30:sc= -0.37 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -150:sc= -0.16 USER MOD Single : A 58 SER OG : rot 180:sc=-0.00362 USER MOD Single : A 61 LYS NZ :NH3+ 170:sc=-0.00282 (180deg=-0.0968) USER MOD Single : A 62 THR OG1 : rot -163:sc= 0.875 USER MOD Single : A 73 SER OG : rot -156:sc= 0.289 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.0307 K(o=-0.031,f=-1.1) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 40:sc= -1.12 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.991 K(o=-0.99,f=-6.5!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 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 -151:sc= -0.297 (180deg=-1.06) USER MOD Single : A 105 SER OG : rot -140:sc= 0.0429 USER MOD Single : A 106 ASN : amide:sc= -0.418 X(o=-0.42,f=-0.025) USER MOD Single : A 109 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 112 LYS NZ :NH3+ 170:sc= 1.15 (180deg=0.466) USER MOD Single : A 113 SER OG : rot 58:sc= 0.0496 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.576 -2.268 -1.850 1.00 0.00 N ATOM 2 CA MET A 1 16.417 -2.486 -0.957 1.00 0.00 C ATOM 3 C MET A 1 15.120 -2.490 -1.761 1.00 0.00 C ATOM 4 O MET A 1 14.535 -1.439 -2.029 1.00 0.00 O ATOM 5 CB MET A 1 16.366 -1.393 0.117 1.00 0.00 C ATOM 6 CG MET A 1 15.225 -1.563 1.108 1.00 0.00 C ATOM 7 SD MET A 1 15.166 -0.237 2.330 1.00 0.00 S ATOM 8 CE MET A 1 13.748 -0.737 3.303 1.00 0.00 C ATOM 0 H1 MET A 1 18.452 -2.268 -1.289 1.00 0.00 H new ATOM 0 H2 MET A 1 17.618 -3.030 -2.557 1.00 0.00 H new ATOM 0 H3 MET A 1 17.474 -1.353 -2.333 1.00 0.00 H new ATOM 0 HA MET A 1 16.530 -3.455 -0.471 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.310 -1.386 0.661 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.272 -0.422 -0.369 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.280 -1.595 0.566 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.332 -2.519 1.620 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.582 -0.014 4.102 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.866 -0.781 2.664 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.932 -1.720 3.736 1.00 0.00 H new ATOM 18 N GLN A 2 14.680 -3.676 -2.155 1.00 0.00 N ATOM 19 CA GLN A 2 13.453 -3.826 -2.928 1.00 0.00 C ATOM 20 C GLN A 2 12.498 -4.756 -2.200 1.00 0.00 C ATOM 21 O GLN A 2 12.708 -5.968 -2.144 1.00 0.00 O ATOM 22 CB GLN A 2 13.752 -4.386 -4.315 1.00 0.00 C ATOM 23 CG GLN A 2 14.718 -3.534 -5.123 1.00 0.00 C ATOM 24 CD GLN A 2 15.123 -4.188 -6.426 1.00 0.00 C ATOM 25 OE1 GLN A 2 16.105 -4.929 -6.480 1.00 0.00 O ATOM 26 NE2 GLN A 2 14.379 -3.914 -7.486 1.00 0.00 N ATOM 0 H GLN A 2 15.157 -4.554 -1.951 1.00 0.00 H new ATOM 0 HA GLN A 2 12.995 -2.843 -3.040 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.166 -5.389 -4.211 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.817 -4.483 -4.867 1.00 0.00 H new ATOM 0 HG2 GLN A 2 14.257 -2.569 -5.333 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.609 -3.338 -4.527 1.00 0.00 H new ATOM 0 HE21 GLN A 2 13.573 -3.295 -7.397 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.611 -4.322 -8.391 1.00 0.00 H new ATOM 33 N CYS A 3 11.452 -4.174 -1.647 1.00 0.00 N ATOM 34 CA CYS A 3 10.456 -4.929 -0.902 1.00 0.00 C ATOM 35 C CYS A 3 9.603 -5.786 -1.837 1.00 0.00 C ATOM 36 O CYS A 3 9.622 -7.014 -1.735 1.00 0.00 O ATOM 37 CB CYS A 3 9.586 -3.978 -0.083 1.00 0.00 C ATOM 38 SG CYS A 3 10.507 -3.029 1.172 1.00 0.00 S ATOM 0 H CYS A 3 11.267 -3.172 -1.699 1.00 0.00 H new ATOM 0 HA CYS A 3 10.971 -5.604 -0.219 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.090 -3.282 -0.759 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.804 -4.553 0.412 1.00 0.00 H new ATOM 42 N ASN A 4 8.864 -5.137 -2.746 1.00 0.00 N ATOM 43 CA ASN A 4 8.016 -5.845 -3.714 1.00 0.00 C ATOM 44 C ASN A 4 7.082 -6.840 -3.027 1.00 0.00 C ATOM 45 O ASN A 4 7.319 -8.046 -3.050 1.00 0.00 O ATOM 46 CB ASN A 4 8.887 -6.554 -4.767 1.00 0.00 C ATOM 47 CG ASN A 4 9.226 -5.655 -5.941 1.00 0.00 C ATOM 48 OD1 ASN A 4 8.422 -4.817 -6.345 1.00 0.00 O ATOM 49 ND2 ASN A 4 10.419 -5.817 -6.489 1.00 0.00 N ATOM 0 H ASN A 4 8.836 -4.121 -2.831 1.00 0.00 H new ATOM 0 HA ASN A 4 7.391 -5.105 -4.213 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.809 -6.898 -4.299 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.364 -7.439 -5.130 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.701 -5.235 -7.277 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.056 -6.524 -6.123 1.00 0.00 H new ATOM 55 N PHE A 5 6.013 -6.330 -2.419 1.00 0.00 N ATOM 56 CA PHE A 5 5.046 -7.183 -1.729 1.00 0.00 C ATOM 57 C PHE A 5 4.413 -8.186 -2.699 1.00 0.00 C ATOM 58 O PHE A 5 4.269 -9.364 -2.386 1.00 0.00 O ATOM 59 CB PHE A 5 3.952 -6.343 -1.050 1.00 0.00 C ATOM 60 CG PHE A 5 2.890 -5.816 -1.977 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.134 -4.727 -2.799 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.642 -6.420 -2.026 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.155 -4.253 -3.651 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.661 -5.950 -2.876 1.00 0.00 C ATOM 65 CZ PHE A 5 0.919 -4.865 -3.690 1.00 0.00 C ATOM 0 H PHE A 5 5.794 -5.334 -2.390 1.00 0.00 H new ATOM 0 HA PHE A 5 5.584 -7.735 -0.959 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.474 -6.949 -0.281 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.423 -5.500 -0.544 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.100 -4.244 -2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.435 -7.269 -1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.357 -3.403 -4.286 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.306 -6.430 -2.904 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.154 -4.496 -4.357 1.00 0.00 H new ATOM 74 N ALA A 6 4.084 -7.703 -3.893 1.00 0.00 N ATOM 75 CA ALA A 6 3.450 -8.513 -4.929 1.00 0.00 C ATOM 76 C ALA A 6 4.387 -9.582 -5.469 1.00 0.00 C ATOM 77 O ALA A 6 3.947 -10.610 -5.977 1.00 0.00 O ATOM 78 CB ALA A 6 2.994 -7.610 -6.057 1.00 0.00 C ATOM 0 H ALA A 6 4.250 -6.736 -4.171 1.00 0.00 H new ATOM 0 HA ALA A 6 2.596 -9.023 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.520 -8.210 -6.834 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.279 -6.882 -5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.854 -7.088 -6.476 1.00 0.00 H new ATOM 84 N ASN A 7 5.678 -9.334 -5.332 1.00 0.00 N ATOM 85 CA ASN A 7 6.708 -10.246 -5.812 1.00 0.00 C ATOM 86 C ASN A 7 6.597 -11.607 -5.135 1.00 0.00 C ATOM 87 O ASN A 7 6.936 -12.636 -5.719 1.00 0.00 O ATOM 88 CB ASN A 7 8.071 -9.627 -5.533 1.00 0.00 C ATOM 89 CG ASN A 7 9.228 -10.383 -6.138 1.00 0.00 C ATOM 90 OD1 ASN A 7 9.101 -11.027 -7.177 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.372 -10.300 -5.484 1.00 0.00 N ATOM 0 H ASN A 7 6.045 -8.494 -4.884 1.00 0.00 H new ATOM 0 HA ASN A 7 6.579 -10.402 -6.883 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.079 -8.606 -5.915 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.216 -9.565 -4.454 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.198 -10.783 -5.838 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.430 -9.753 -4.625 1.00 0.00 H new ATOM 97 N SER A 8 6.105 -11.608 -3.907 1.00 0.00 N ATOM 98 CA SER A 8 5.957 -12.840 -3.156 1.00 0.00 C ATOM 99 C SER A 8 4.508 -13.036 -2.708 1.00 0.00 C ATOM 100 O SER A 8 4.228 -13.856 -1.833 1.00 0.00 O ATOM 101 CB SER A 8 6.887 -12.808 -1.942 1.00 0.00 C ATOM 102 OG SER A 8 8.199 -12.402 -2.308 1.00 0.00 O ATOM 0 H SER A 8 5.802 -10.770 -3.411 1.00 0.00 H new ATOM 0 HA SER A 8 6.225 -13.679 -3.799 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.488 -12.124 -1.193 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.924 -13.796 -1.483 1.00 0.00 H new ATOM 0 HG SER A 8 8.771 -12.389 -1.513 1.00 0.00 H new ATOM 107 N CYS A 9 3.589 -12.297 -3.322 1.00 0.00 N ATOM 108 CA CYS A 9 2.176 -12.392 -2.963 1.00 0.00 C ATOM 109 C CYS A 9 1.304 -12.720 -4.163 1.00 0.00 C ATOM 110 O CYS A 9 1.578 -12.302 -5.287 1.00 0.00 O ATOM 111 CB CYS A 9 1.680 -11.093 -2.321 1.00 0.00 C ATOM 112 SG CYS A 9 1.218 -11.266 -0.565 1.00 0.00 S ATOM 0 H CYS A 9 3.794 -11.630 -4.066 1.00 0.00 H new ATOM 0 HA CYS A 9 2.095 -13.206 -2.243 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.459 -10.335 -2.409 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.817 -10.730 -2.879 1.00 0.00 H new ATOM 116 N THR A 10 0.246 -13.475 -3.901 1.00 0.00 N ATOM 117 CA THR A 10 -0.703 -13.873 -4.925 1.00 0.00 C ATOM 118 C THR A 10 -2.122 -13.817 -4.371 1.00 0.00 C ATOM 119 O THR A 10 -2.326 -13.951 -3.164 1.00 0.00 O ATOM 120 CB THR A 10 -0.406 -15.293 -5.447 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.168 -16.188 -4.348 1.00 0.00 O ATOM 122 CG2 THR A 10 0.797 -15.289 -6.373 1.00 0.00 C ATOM 0 H THR A 10 0.023 -13.828 -2.970 1.00 0.00 H new ATOM 0 HA THR A 10 -0.607 -13.177 -5.758 1.00 0.00 H new ATOM 0 HB THR A 10 -1.276 -15.635 -6.008 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.018 -17.087 -4.692 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.986 -16.302 -6.728 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.599 -14.637 -7.224 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.671 -14.925 -5.833 1.00 0.00 H new ATOM 130 N GLY A 11 -3.092 -13.601 -5.245 1.00 0.00 N ATOM 131 CA GLY A 11 -4.476 -13.531 -4.821 1.00 0.00 C ATOM 132 C GLY A 11 -4.774 -12.285 -4.010 1.00 0.00 C ATOM 133 O GLY A 11 -5.615 -12.306 -3.109 1.00 0.00 O ATOM 0 H GLY A 11 -2.945 -13.472 -6.246 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.123 -13.553 -5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.715 -14.413 -4.227 1.00 0.00 H new ATOM 137 N VAL A 12 -4.093 -11.195 -4.335 1.00 0.00 N ATOM 138 CA VAL A 12 -4.286 -9.942 -3.619 1.00 0.00 C ATOM 139 C VAL A 12 -5.534 -9.208 -4.096 1.00 0.00 C ATOM 140 O VAL A 12 -5.781 -9.090 -5.298 1.00 0.00 O ATOM 141 CB VAL A 12 -3.058 -9.009 -3.741 1.00 0.00 C ATOM 142 CG1 VAL A 12 -1.872 -9.592 -2.993 1.00 0.00 C ATOM 143 CG2 VAL A 12 -2.698 -8.763 -5.198 1.00 0.00 C ATOM 0 H VAL A 12 -3.405 -11.153 -5.087 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.414 -10.208 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.318 -8.050 -3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.017 -8.923 -3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.127 -9.706 -1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.620 -10.566 -3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.831 -8.104 -5.252 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.463 -9.712 -5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.541 -8.296 -5.707 1.00 0.00 H new ATOM 153 N GLU A 13 -6.328 -8.743 -3.145 1.00 0.00 N ATOM 154 CA GLU A 13 -7.545 -8.003 -3.450 1.00 0.00 C ATOM 155 C GLU A 13 -7.611 -6.734 -2.603 1.00 0.00 C ATOM 156 O GLU A 13 -7.089 -6.701 -1.486 1.00 0.00 O ATOM 157 CB GLU A 13 -8.787 -8.865 -3.199 1.00 0.00 C ATOM 158 CG GLU A 13 -8.964 -9.283 -1.750 1.00 0.00 C ATOM 159 CD GLU A 13 -10.284 -9.979 -1.505 1.00 0.00 C ATOM 160 OE1 GLU A 13 -11.298 -9.279 -1.286 1.00 0.00 O ATOM 161 OE2 GLU A 13 -10.319 -11.226 -1.523 1.00 0.00 O ATOM 0 H GLU A 13 -6.151 -8.865 -2.148 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.524 -7.731 -4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.671 -8.313 -3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.728 -9.759 -3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.148 -9.947 -1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.897 -8.403 -1.111 1.00 0.00 H new ATOM 166 N LEU A 14 -8.249 -5.698 -3.132 1.00 0.00 N ATOM 167 CA LEU A 14 -8.367 -4.433 -2.420 1.00 0.00 C ATOM 168 C LEU A 14 -9.829 -4.053 -2.233 1.00 0.00 C ATOM 169 O LEU A 14 -10.579 -3.902 -3.201 1.00 0.00 O ATOM 170 CB LEU A 14 -7.624 -3.322 -3.171 1.00 0.00 C ATOM 171 CG LEU A 14 -7.732 -1.917 -2.560 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.328 -1.921 -1.097 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.866 -0.954 -3.326 1.00 0.00 C ATOM 0 H LEU A 14 -8.692 -5.709 -4.051 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.913 -4.555 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.570 -3.592 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.002 -3.284 -4.193 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.773 -1.600 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.415 -0.912 -0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.982 -2.593 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.296 -2.261 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.949 0.040 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.828 -1.284 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.193 -0.919 -4.365 1.00 0.00 H new ATOM 184 N TYR A 15 -10.227 -3.906 -0.984 1.00 0.00 N ATOM 185 CA TYR A 15 -11.593 -3.534 -0.661 1.00 0.00 C ATOM 186 C TYR A 15 -11.599 -2.288 0.221 1.00 0.00 C ATOM 187 O TYR A 15 -11.319 -2.360 1.417 1.00 0.00 O ATOM 188 CB TYR A 15 -12.309 -4.697 0.039 1.00 0.00 C ATOM 189 CG TYR A 15 -13.784 -4.456 0.280 1.00 0.00 C ATOM 190 CD1 TYR A 15 -14.703 -4.582 -0.754 1.00 0.00 C ATOM 191 CD2 TYR A 15 -14.257 -4.104 1.538 1.00 0.00 C ATOM 192 CE1 TYR A 15 -16.052 -4.364 -0.542 1.00 0.00 C ATOM 193 CE2 TYR A 15 -15.603 -3.886 1.757 1.00 0.00 C ATOM 194 CZ TYR A 15 -16.497 -4.016 0.714 1.00 0.00 C ATOM 195 OH TYR A 15 -17.840 -3.796 0.931 1.00 0.00 O ATOM 0 H TYR A 15 -9.622 -4.039 -0.173 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.128 -3.309 -1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.192 -5.598 -0.564 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -11.821 -4.888 0.995 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.358 -4.855 -1.740 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -13.561 -3.999 2.357 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -16.753 -4.466 -1.357 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -15.955 -3.615 2.741 1.00 0.00 H new ATOM 0 HH TYR A 15 -17.985 -3.560 1.871 1.00 0.00 H new ATOM 204 N GLY A 16 -11.870 -1.142 -0.386 1.00 0.00 N ATOM 205 CA GLY A 16 -11.918 0.101 0.359 1.00 0.00 C ATOM 206 C GLY A 16 -10.539 0.666 0.651 1.00 0.00 C ATOM 207 O GLY A 16 -10.162 1.703 0.114 1.00 0.00 O ATOM 0 H GLY A 16 -12.058 -1.050 -1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.494 0.835 -0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.444 -0.064 1.299 1.00 0.00 H new ATOM 211 N TYR A 17 -9.791 -0.020 1.504 1.00 0.00 N ATOM 212 CA TYR A 17 -8.446 0.407 1.881 1.00 0.00 C ATOM 213 C TYR A 17 -7.654 -0.741 2.506 1.00 0.00 C ATOM 214 O TYR A 17 -6.636 -0.516 3.171 1.00 0.00 O ATOM 215 CB TYR A 17 -8.506 1.597 2.853 1.00 0.00 C ATOM 216 CG TYR A 17 -9.468 1.412 4.012 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.056 0.808 5.190 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.784 1.851 3.930 1.00 0.00 C ATOM 219 CE1 TYR A 17 -9.921 0.644 6.253 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.658 1.689 4.989 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.220 1.085 6.148 1.00 0.00 C ATOM 222 OH TYR A 17 -12.079 0.931 7.211 1.00 0.00 O ATOM 0 H TYR A 17 -10.095 -0.884 1.953 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.933 0.720 0.972 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.507 1.776 3.251 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.793 2.490 2.298 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.038 0.459 5.278 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.130 2.327 3.024 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.580 0.172 7.163 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.678 2.034 4.909 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.958 1.295 6.977 1.00 0.00 H new ATOM 231 N ILE A 18 -8.114 -1.967 2.287 1.00 0.00 N ATOM 232 CA ILE A 18 -7.447 -3.141 2.828 1.00 0.00 C ATOM 233 C ILE A 18 -7.038 -4.086 1.707 1.00 0.00 C ATOM 234 O ILE A 18 -7.832 -4.395 0.817 1.00 0.00 O ATOM 235 CB ILE A 18 -8.322 -3.900 3.853 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.683 -4.267 3.249 1.00 0.00 C ATOM 237 CG2 ILE A 18 -8.504 -3.068 5.116 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.558 -5.093 4.167 1.00 0.00 C ATOM 0 H ILE A 18 -8.948 -2.172 1.737 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.560 -2.784 3.351 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.810 -4.825 4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.212 -3.351 2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.522 -4.819 2.323 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.122 -3.616 5.827 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.530 -2.866 5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.990 -2.126 4.864 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.503 -5.312 3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.051 -6.027 4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.752 -4.536 5.084 1.00 0.00 H new ATOM 249 N LEU A 19 -5.791 -4.517 1.750 1.00 0.00 N ATOM 250 CA LEU A 19 -5.243 -5.417 0.751 1.00 0.00 C ATOM 251 C LEU A 19 -4.920 -6.756 1.378 1.00 0.00 C ATOM 252 O LEU A 19 -4.047 -6.848 2.233 1.00 0.00 O ATOM 253 CB LEU A 19 -3.971 -4.815 0.163 1.00 0.00 C ATOM 254 CG LEU A 19 -4.021 -4.471 -1.322 1.00 0.00 C ATOM 255 CD1 LEU A 19 -2.779 -3.687 -1.710 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.136 -5.733 -2.159 1.00 0.00 C ATOM 0 H LEU A 19 -5.128 -4.253 2.479 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.981 -5.560 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.731 -3.908 0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.152 -5.515 0.327 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.901 -3.857 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.819 -3.444 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.733 -2.766 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.892 -4.288 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.170 -5.467 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.273 -6.372 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.047 -6.267 -1.889 1.00 0.00 H new ATOM 267 N ARG A 20 -5.614 -7.791 0.964 1.00 0.00 N ATOM 268 CA ARG A 20 -5.362 -9.110 1.507 1.00 0.00 C ATOM 269 C ARG A 20 -4.904 -10.039 0.402 1.00 0.00 C ATOM 270 O ARG A 20 -5.396 -9.965 -0.724 1.00 0.00 O ATOM 271 CB ARG A 20 -6.605 -9.681 2.183 1.00 0.00 C ATOM 272 CG ARG A 20 -6.309 -10.905 3.035 1.00 0.00 C ATOM 273 CD ARG A 20 -7.266 -12.038 2.730 1.00 0.00 C ATOM 274 NE ARG A 20 -7.141 -13.134 3.686 1.00 0.00 N ATOM 275 CZ ARG A 20 -7.933 -14.203 3.697 1.00 0.00 C ATOM 276 NH1 ARG A 20 -8.894 -14.335 2.789 1.00 0.00 N ATOM 277 NH2 ARG A 20 -7.767 -15.138 4.622 1.00 0.00 N ATOM 0 H ARG A 20 -6.351 -7.749 0.260 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.580 -9.022 2.261 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.058 -8.911 2.808 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.338 -9.945 1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.285 -11.234 2.857 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.380 -10.641 4.090 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.289 -11.661 2.742 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.076 -12.412 1.724 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.403 -13.077 4.387 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.027 -13.615 2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.498 -15.157 2.802 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.033 -15.037 5.323 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.373 -15.958 4.632 1.00 0.00 H new ATOM 288 N GLY A 21 -3.962 -10.899 0.725 1.00 0.00 N ATOM 289 CA GLY A 21 -3.459 -11.833 -0.248 1.00 0.00 C ATOM 290 C GLY A 21 -2.625 -12.914 0.390 1.00 0.00 C ATOM 291 O GLY A 21 -2.492 -12.964 1.614 1.00 0.00 O ATOM 0 H GLY A 21 -3.534 -10.968 1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.294 -12.286 -0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.860 -11.300 -0.987 1.00 0.00 H new ATOM 295 N ASP A 22 -2.062 -13.774 -0.435 1.00 0.00 N ATOM 296 CA ASP A 22 -1.242 -14.869 0.044 1.00 0.00 C ATOM 297 C ASP A 22 0.222 -14.632 -0.281 1.00 0.00 C ATOM 298 O ASP A 22 0.623 -14.679 -1.445 1.00 0.00 O ATOM 299 CB ASP A 22 -1.689 -16.189 -0.583 1.00 0.00 C ATOM 300 CG ASP A 22 -2.993 -16.702 -0.010 1.00 0.00 C ATOM 301 OD1 ASP A 22 -2.958 -17.375 1.038 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.057 -16.448 -0.615 1.00 0.00 O ATOM 0 H ASP A 22 -2.159 -13.735 -1.450 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.362 -14.923 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.799 -16.055 -1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.912 -16.938 -0.432 1.00 0.00 H new ATOM 306 N CYS A 23 1.016 -14.391 0.747 1.00 0.00 N ATOM 307 CA CYS A 23 2.442 -14.168 0.572 1.00 0.00 C ATOM 308 C CYS A 23 3.199 -15.398 1.051 1.00 0.00 C ATOM 309 O CYS A 23 2.924 -15.923 2.128 1.00 0.00 O ATOM 310 CB CYS A 23 2.906 -12.936 1.360 1.00 0.00 C ATOM 311 SG CYS A 23 2.999 -11.389 0.394 1.00 0.00 S ATOM 0 H CYS A 23 0.697 -14.344 1.715 1.00 0.00 H new ATOM 0 HA CYS A 23 2.643 -13.991 -0.485 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.226 -12.783 2.198 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.890 -13.143 1.781 1.00 0.00 H new ATOM 315 N ILE A 24 4.151 -15.857 0.253 1.00 0.00 N ATOM 316 CA ILE A 24 4.929 -17.038 0.600 1.00 0.00 C ATOM 317 C ILE A 24 5.840 -16.753 1.785 1.00 0.00 C ATOM 318 O ILE A 24 6.498 -15.715 1.839 1.00 0.00 O ATOM 319 CB ILE A 24 5.776 -17.529 -0.593 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.871 -17.808 -1.797 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.562 -18.775 -0.218 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.607 -18.334 -3.011 1.00 0.00 C ATOM 0 H ILE A 24 4.404 -15.431 -0.639 1.00 0.00 H new ATOM 0 HA ILE A 24 4.222 -17.823 0.868 1.00 0.00 H new ATOM 0 HB ILE A 24 6.488 -16.748 -0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.108 -18.530 -1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.352 -16.889 -2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.152 -19.104 -1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.227 -18.549 0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.872 -19.567 0.073 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.897 -18.507 -3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.351 -17.604 -3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.103 -19.271 -2.758 1.00 0.00 H new ATOM 333 N ASN A 25 5.861 -17.669 2.738 1.00 0.00 N ATOM 334 CA ASN A 25 6.692 -17.508 3.919 1.00 0.00 C ATOM 335 C ASN A 25 7.902 -18.430 3.835 1.00 0.00 C ATOM 336 O ASN A 25 8.108 -19.071 2.805 1.00 0.00 O ATOM 337 CB ASN A 25 5.881 -17.776 5.194 1.00 0.00 C ATOM 338 CG ASN A 25 5.607 -19.239 5.443 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.323 -19.890 6.201 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.581 -19.770 4.805 1.00 0.00 N ATOM 0 H ASN A 25 5.314 -18.530 2.718 1.00 0.00 H new ATOM 0 HA ASN A 25 7.046 -16.478 3.962 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.419 -17.366 6.049 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.932 -17.244 5.129 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.357 -20.757 4.932 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.012 -19.194 4.185 1.00 0.00 H new ATOM 346 N GLU A 26 8.687 -18.515 4.906 1.00 0.00 N ATOM 347 CA GLU A 26 9.881 -19.364 4.918 1.00 0.00 C ATOM 348 C GLU A 26 9.545 -20.827 4.606 1.00 0.00 C ATOM 349 O GLU A 26 10.387 -21.572 4.106 1.00 0.00 O ATOM 350 CB GLU A 26 10.595 -19.262 6.266 1.00 0.00 C ATOM 351 CG GLU A 26 9.722 -19.620 7.457 1.00 0.00 C ATOM 352 CD GLU A 26 10.479 -19.537 8.765 1.00 0.00 C ATOM 353 OE1 GLU A 26 11.388 -20.366 8.978 1.00 0.00 O ATOM 354 OE2 GLU A 26 10.182 -18.637 9.576 1.00 0.00 O ATOM 0 H GLU A 26 8.521 -18.009 5.776 1.00 0.00 H new ATOM 0 HA GLU A 26 10.545 -19.003 4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.465 -19.919 6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.966 -18.245 6.393 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.864 -18.948 7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.331 -20.629 7.329 1.00 0.00 H new ATOM 359 N ASP A 27 8.308 -21.221 4.884 1.00 0.00 N ATOM 360 CA ASP A 27 7.845 -22.584 4.628 1.00 0.00 C ATOM 361 C ASP A 27 7.786 -22.871 3.131 1.00 0.00 C ATOM 362 O ASP A 27 7.782 -24.024 2.704 1.00 0.00 O ATOM 363 CB ASP A 27 6.466 -22.785 5.250 1.00 0.00 C ATOM 364 CG ASP A 27 5.944 -24.202 5.109 1.00 0.00 C ATOM 365 OD1 ASP A 27 6.537 -25.127 5.702 1.00 0.00 O ATOM 366 OD2 ASP A 27 4.921 -24.391 4.422 1.00 0.00 O ATOM 0 H ASP A 27 7.599 -20.610 5.291 1.00 0.00 H new ATOM 0 HA ASP A 27 8.554 -23.278 5.080 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.511 -22.526 6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.761 -22.097 4.783 1.00 0.00 H new ATOM 370 N GLY A 28 7.728 -21.813 2.335 1.00 0.00 N ATOM 371 CA GLY A 28 7.671 -21.973 0.895 1.00 0.00 C ATOM 372 C GLY A 28 6.249 -22.057 0.394 1.00 0.00 C ATOM 373 O GLY A 28 6.005 -22.222 -0.800 1.00 0.00 O ATOM 0 H GLY A 28 7.719 -20.846 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.176 -21.134 0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.211 -22.875 0.608 1.00 0.00 H new ATOM 377 N HIS A 29 5.311 -21.939 1.316 1.00 0.00 N ATOM 378 CA HIS A 29 3.899 -21.999 0.985 1.00 0.00 C ATOM 379 C HIS A 29 3.263 -20.633 1.209 1.00 0.00 C ATOM 380 O HIS A 29 3.667 -19.892 2.112 1.00 0.00 O ATOM 381 CB HIS A 29 3.192 -23.063 1.837 1.00 0.00 C ATOM 382 CG HIS A 29 3.619 -24.473 1.538 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.726 -25.490 1.278 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.850 -25.037 1.474 1.00 0.00 C ATOM 385 CE1 HIS A 29 3.387 -26.612 1.070 1.00 0.00 C ATOM 386 NE2 HIS A 29 4.677 -26.367 1.183 1.00 0.00 N ATOM 0 H HIS A 29 5.504 -21.800 2.308 1.00 0.00 H new ATOM 0 HA HIS A 29 3.792 -22.275 -0.064 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.380 -22.854 2.890 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.116 -22.980 1.683 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.793 -24.533 1.624 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.945 -27.571 0.845 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.424 -27.053 1.072 1.00 0.00 H new ATOM 394 N PRO A 30 2.297 -20.264 0.359 1.00 0.00 N ATOM 395 CA PRO A 30 1.598 -18.982 0.463 1.00 0.00 C ATOM 396 C PRO A 30 0.772 -18.870 1.744 1.00 0.00 C ATOM 397 O PRO A 30 -0.083 -19.711 2.025 1.00 0.00 O ATOM 398 CB PRO A 30 0.695 -18.957 -0.776 1.00 0.00 C ATOM 399 CG PRO A 30 0.552 -20.380 -1.191 1.00 0.00 C ATOM 400 CD PRO A 30 1.825 -21.064 -0.786 1.00 0.00 C ATOM 0 HA PRO A 30 2.293 -18.144 0.507 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.275 -18.516 -0.546 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.137 -18.358 -1.572 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.309 -20.842 -0.708 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.393 -20.458 -2.267 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.651 -22.103 -0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.553 -21.071 -1.598 1.00 0.00 H new ATOM 405 N HIS A 31 1.051 -17.829 2.517 1.00 0.00 N ATOM 406 CA HIS A 31 0.361 -17.571 3.774 1.00 0.00 C ATOM 407 C HIS A 31 -0.548 -16.353 3.621 1.00 0.00 C ATOM 408 O HIS A 31 -0.114 -15.303 3.145 1.00 0.00 O ATOM 409 CB HIS A 31 1.393 -17.341 4.891 1.00 0.00 C ATOM 410 CG HIS A 31 0.806 -17.098 6.253 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.711 -18.080 7.216 1.00 0.00 N ATOM 412 CD2 HIS A 31 0.304 -15.972 6.820 1.00 0.00 C ATOM 413 CE1 HIS A 31 0.174 -17.571 8.309 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.080 -16.296 8.094 1.00 0.00 N ATOM 0 H HIS A 31 1.765 -17.137 2.289 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.253 -18.432 4.039 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.050 -18.209 4.944 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.015 -16.487 4.621 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.222 -15.001 6.354 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.024 -18.109 9.225 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.496 -15.653 8.768 1.00 0.00 H new ATOM 422 N ALA A 32 -1.801 -16.497 4.029 1.00 0.00 N ATOM 423 CA ALA A 32 -2.770 -15.414 3.924 1.00 0.00 C ATOM 424 C ALA A 32 -2.475 -14.296 4.923 1.00 0.00 C ATOM 425 O ALA A 32 -2.411 -14.526 6.130 1.00 0.00 O ATOM 426 CB ALA A 32 -4.180 -15.945 4.128 1.00 0.00 C ATOM 0 H ALA A 32 -2.172 -17.355 4.437 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.689 -14.993 2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.893 -15.125 4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.400 -16.694 3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.259 -16.398 5.116 1.00 0.00 H new ATOM 432 N THR A 33 -2.296 -13.090 4.404 1.00 0.00 N ATOM 433 CA THR A 33 -2.012 -11.920 5.221 1.00 0.00 C ATOM 434 C THR A 33 -2.732 -10.710 4.632 1.00 0.00 C ATOM 435 O THR A 33 -3.171 -10.746 3.480 1.00 0.00 O ATOM 436 CB THR A 33 -0.491 -11.649 5.303 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.219 -10.555 6.191 1.00 0.00 O ATOM 438 CG2 THR A 33 0.077 -11.344 3.925 1.00 0.00 C ATOM 0 H THR A 33 -2.344 -12.895 3.404 1.00 0.00 H new ATOM 0 HA THR A 33 -2.370 -12.106 6.234 1.00 0.00 H new ATOM 0 HB THR A 33 -0.012 -12.548 5.691 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.065 -10.903 7.062 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.148 -11.157 4.006 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.094 -12.194 3.265 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.416 -10.462 3.515 1.00 0.00 H new ATOM 446 N SER A 34 -2.855 -9.647 5.408 1.00 0.00 N ATOM 447 CA SER A 34 -3.537 -8.458 4.943 1.00 0.00 C ATOM 448 C SER A 34 -2.805 -7.202 5.369 1.00 0.00 C ATOM 449 O SER A 34 -2.137 -7.177 6.401 1.00 0.00 O ATOM 450 CB SER A 34 -4.972 -8.435 5.463 1.00 0.00 C ATOM 451 OG SER A 34 -5.033 -8.723 6.850 1.00 0.00 O ATOM 0 H SER A 34 -2.492 -9.585 6.359 1.00 0.00 H new ATOM 0 HA SER A 34 -3.554 -8.484 3.853 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.411 -7.455 5.275 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.570 -9.163 4.914 1.00 0.00 H new ATOM 0 HG SER A 34 -5.966 -8.698 7.149 1.00 0.00 H new ATOM 456 N ILE A 35 -2.920 -6.168 4.556 1.00 0.00 N ATOM 457 CA ILE A 35 -2.278 -4.907 4.835 1.00 0.00 C ATOM 458 C ILE A 35 -3.300 -3.782 4.757 1.00 0.00 C ATOM 459 O ILE A 35 -4.194 -3.801 3.909 1.00 0.00 O ATOM 460 CB ILE A 35 -1.125 -4.606 3.848 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.237 -5.834 3.638 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.283 -3.439 4.343 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.641 -6.688 2.451 1.00 0.00 C ATOM 0 H ILE A 35 -3.459 -6.183 3.690 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.856 -4.975 5.838 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.575 -4.339 2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.794 -5.506 3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.262 -6.447 4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.522 -3.245 3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.909 -2.551 4.434 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.142 -3.684 5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.035 -7.539 2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.660 -7.047 2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.589 -6.092 1.540 1.00 0.00 H new ATOM 474 N ASN A 36 -3.166 -2.807 5.635 1.00 0.00 N ATOM 475 CA ASN A 36 -4.085 -1.679 5.667 1.00 0.00 C ATOM 476 C ASN A 36 -3.417 -0.462 5.038 1.00 0.00 C ATOM 477 O ASN A 36 -2.758 0.315 5.725 1.00 0.00 O ATOM 478 CB ASN A 36 -4.494 -1.370 7.109 1.00 0.00 C ATOM 479 CG ASN A 36 -5.847 -0.690 7.215 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.517 -0.781 8.239 1.00 0.00 O ATOM 481 ND2 ASN A 36 -6.279 -0.031 6.153 1.00 0.00 N ATOM 0 H ASN A 36 -2.428 -2.771 6.339 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.981 -1.931 5.100 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.515 -2.298 7.680 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.737 -0.732 7.566 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.194 0.420 6.170 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.698 0.026 5.317 1.00 0.00 H new ATOM 487 N LEU A 37 -3.621 -0.288 3.734 1.00 0.00 N ATOM 488 CA LEU A 37 -3.013 0.817 2.984 1.00 0.00 C ATOM 489 C LEU A 37 -3.379 2.168 3.579 1.00 0.00 C ATOM 490 O LEU A 37 -2.616 3.123 3.469 1.00 0.00 O ATOM 491 CB LEU A 37 -3.434 0.802 1.506 1.00 0.00 C ATOM 492 CG LEU A 37 -3.138 -0.472 0.714 1.00 0.00 C ATOM 493 CD1 LEU A 37 -1.794 -1.064 1.111 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.257 -1.483 0.890 1.00 0.00 C ATOM 0 H LEU A 37 -4.207 -0.902 3.168 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.935 0.671 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.507 0.990 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.941 1.635 1.005 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.082 -0.210 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.610 -1.969 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.004 -0.339 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.804 -1.309 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.028 -2.383 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.354 -1.738 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.194 -1.055 0.533 1.00 0.00 H new ATOM 505 N ASN A 38 -4.554 2.245 4.197 1.00 0.00 N ATOM 506 CA ASN A 38 -5.025 3.487 4.809 1.00 0.00 C ATOM 507 C ASN A 38 -3.989 4.080 5.764 1.00 0.00 C ATOM 508 O ASN A 38 -3.860 5.293 5.858 1.00 0.00 O ATOM 509 CB ASN A 38 -6.341 3.246 5.562 1.00 0.00 C ATOM 510 CG ASN A 38 -6.793 4.454 6.372 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.370 4.642 7.510 1.00 0.00 O ATOM 512 ND2 ASN A 38 -7.683 5.255 5.810 1.00 0.00 N ATOM 0 H ASN A 38 -5.200 1.461 4.288 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.190 4.202 4.003 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.120 2.983 4.846 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.220 2.393 6.229 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.041 6.060 6.324 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.011 5.068 4.863 1.00 0.00 H new ATOM 518 N TYR A 39 -3.235 3.229 6.441 1.00 0.00 N ATOM 519 CA TYR A 39 -2.240 3.706 7.394 1.00 0.00 C ATOM 520 C TYR A 39 -0.829 3.650 6.817 1.00 0.00 C ATOM 521 O TYR A 39 0.152 3.717 7.560 1.00 0.00 O ATOM 522 CB TYR A 39 -2.302 2.886 8.683 1.00 0.00 C ATOM 523 CG TYR A 39 -3.634 2.965 9.398 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.024 4.127 10.054 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.498 1.878 9.422 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.237 4.202 10.710 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.712 1.945 10.075 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.078 3.109 10.717 1.00 0.00 C ATOM 529 OH TYR A 39 -7.285 3.179 11.375 1.00 0.00 O ATOM 0 H TYR A 39 -3.290 2.214 6.352 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.474 4.748 7.613 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.088 1.843 8.449 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.518 3.229 9.358 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.368 4.985 10.051 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.215 0.964 8.921 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.526 5.112 11.215 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.372 1.090 10.083 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.758 2.325 11.283 1.00 0.00 H new ATOM 538 N TYR A 40 -0.720 3.520 5.500 1.00 0.00 N ATOM 539 CA TYR A 40 0.591 3.456 4.860 1.00 0.00 C ATOM 540 C TYR A 40 0.712 4.409 3.676 1.00 0.00 C ATOM 541 O TYR A 40 1.810 4.853 3.354 1.00 0.00 O ATOM 542 CB TYR A 40 0.924 2.021 4.438 1.00 0.00 C ATOM 543 CG TYR A 40 1.019 1.065 5.607 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.914 1.300 6.644 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.205 -0.056 5.686 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.989 0.446 7.727 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.279 -0.918 6.763 1.00 0.00 C ATOM 548 CZ TYR A 40 1.171 -0.662 7.781 1.00 0.00 C ATOM 549 OH TYR A 40 1.235 -1.510 8.862 1.00 0.00 O ATOM 0 H TYR A 40 -1.512 3.457 4.860 1.00 0.00 H new ATOM 0 HA TYR A 40 1.319 3.780 5.603 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.160 1.665 3.747 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.870 2.018 3.896 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.561 2.164 6.602 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.498 -0.258 4.892 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.685 0.646 8.528 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.359 -1.788 6.807 1.00 0.00 H new ATOM 0 HH TYR A 40 1.249 -2.439 8.549 1.00 0.00 H new ATOM 558 N ILE A 41 -0.404 4.735 3.045 1.00 0.00 N ATOM 559 CA ILE A 41 -0.398 5.641 1.903 1.00 0.00 C ATOM 560 C ILE A 41 -1.100 6.947 2.260 1.00 0.00 C ATOM 561 O ILE A 41 -2.104 6.945 2.978 1.00 0.00 O ATOM 562 CB ILE A 41 -1.090 5.011 0.674 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.195 3.973 -0.002 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.496 6.077 -0.328 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.211 2.624 0.670 1.00 0.00 C ATOM 0 H ILE A 41 -1.327 4.387 3.303 1.00 0.00 H new ATOM 0 HA ILE A 41 0.644 5.838 1.650 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.987 4.507 1.033 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.510 3.856 -1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.829 4.347 -0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.981 5.607 -1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.188 6.774 0.143 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.611 6.616 -0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.448 1.942 0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.134 2.726 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.226 2.227 0.665 1.00 0.00 H new ATOM 576 N GLY A 42 -0.566 8.061 1.768 1.00 0.00 N ATOM 577 CA GLY A 42 -1.155 9.352 2.060 1.00 0.00 C ATOM 578 C GLY A 42 -1.778 10.012 0.852 1.00 0.00 C ATOM 579 O GLY A 42 -1.618 9.549 -0.280 1.00 0.00 O ATOM 0 H GLY A 42 0.262 8.091 1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.915 9.230 2.831 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.388 10.009 2.469 1.00 0.00 H new ATOM 583 N ASN A 43 -2.478 11.106 1.105 1.00 0.00 N ATOM 584 CA ASN A 43 -3.160 11.858 0.062 1.00 0.00 C ATOM 585 C ASN A 43 -2.530 13.234 -0.120 1.00 0.00 C ATOM 586 O ASN A 43 -2.663 14.109 0.741 1.00 0.00 O ATOM 587 CB ASN A 43 -4.649 12.004 0.416 1.00 0.00 C ATOM 588 CG ASN A 43 -5.377 13.032 -0.437 1.00 0.00 C ATOM 589 OD1 ASN A 43 -5.037 13.267 -1.597 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.393 13.653 0.140 1.00 0.00 N ATOM 0 H ASN A 43 -2.590 11.499 2.040 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.062 11.312 -0.876 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.138 11.037 0.302 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.739 12.285 1.465 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.924 14.353 -0.378 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.645 13.432 1.103 1.00 0.00 H new ATOM 596 N ASP A 44 -1.840 13.422 -1.234 1.00 0.00 N ATOM 597 CA ASP A 44 -1.210 14.700 -1.523 1.00 0.00 C ATOM 598 C ASP A 44 -1.933 15.384 -2.671 1.00 0.00 C ATOM 599 O ASP A 44 -1.807 14.975 -3.823 1.00 0.00 O ATOM 600 CB ASP A 44 0.267 14.518 -1.880 1.00 0.00 C ATOM 601 CG ASP A 44 0.948 15.839 -2.184 1.00 0.00 C ATOM 602 OD1 ASP A 44 0.852 16.318 -3.337 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.584 16.411 -1.274 1.00 0.00 O ATOM 0 H ASP A 44 -1.702 12.709 -1.950 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.273 15.320 -0.629 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.781 14.027 -1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.352 13.860 -2.744 1.00 0.00 H new ATOM 607 N ASN A 45 -2.703 16.412 -2.338 1.00 0.00 N ATOM 608 CA ASN A 45 -3.467 17.193 -3.311 1.00 0.00 C ATOM 609 C ASN A 45 -4.286 16.287 -4.262 1.00 0.00 C ATOM 610 O ASN A 45 -4.430 16.538 -5.458 1.00 0.00 O ATOM 611 CB ASN A 45 -2.529 18.206 -4.026 1.00 0.00 C ATOM 612 CG ASN A 45 -2.145 17.884 -5.463 1.00 0.00 C ATOM 613 OD1 ASN A 45 -2.715 18.429 -6.407 1.00 0.00 O ATOM 614 ND2 ASN A 45 -1.189 16.999 -5.641 1.00 0.00 N ATOM 0 H ASN A 45 -2.818 16.733 -1.377 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.222 17.785 -2.793 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.011 19.184 -4.013 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.614 18.294 -3.441 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.899 16.745 -6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.738 16.567 -4.835 1.00 0.00 H new ATOM 620 N GLY A 46 -4.850 15.223 -3.705 1.00 0.00 N ATOM 621 CA GLY A 46 -5.666 14.322 -4.494 1.00 0.00 C ATOM 622 C GLY A 46 -4.874 13.212 -5.150 1.00 0.00 C ATOM 623 O GLY A 46 -5.423 12.410 -5.902 1.00 0.00 O ATOM 0 H GLY A 46 -4.757 14.968 -2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.432 13.883 -3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.184 14.893 -5.265 1.00 0.00 H new ATOM 627 N ARG A 47 -3.589 13.161 -4.867 1.00 0.00 N ATOM 628 CA ARG A 47 -2.730 12.143 -5.439 1.00 0.00 C ATOM 629 C ARG A 47 -2.289 11.151 -4.381 1.00 0.00 C ATOM 630 O ARG A 47 -2.238 11.472 -3.192 1.00 0.00 O ATOM 631 CB ARG A 47 -1.519 12.787 -6.110 1.00 0.00 C ATOM 632 CG ARG A 47 -1.587 12.755 -7.626 1.00 0.00 C ATOM 633 CD ARG A 47 -2.899 13.322 -8.153 1.00 0.00 C ATOM 634 NE ARG A 47 -3.015 14.757 -7.909 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.103 15.660 -8.881 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.106 15.270 -10.151 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.196 16.947 -8.587 1.00 0.00 N ATOM 0 H ARG A 47 -3.115 13.814 -4.243 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.298 11.600 -6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.436 13.822 -5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.615 12.274 -5.783 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.755 13.326 -8.038 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.472 11.728 -7.972 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.972 13.130 -9.223 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.733 12.805 -7.678 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.029 15.084 -6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.041 14.278 -10.380 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.174 15.962 -10.897 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.200 17.249 -7.613 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.263 17.637 -9.335 1.00 0.00 H new ATOM 648 N LEU A 48 -1.973 9.946 -4.825 1.00 0.00 N ATOM 649 CA LEU A 48 -1.548 8.887 -3.929 1.00 0.00 C ATOM 650 C LEU A 48 -0.053 8.988 -3.674 1.00 0.00 C ATOM 651 O LEU A 48 0.755 8.887 -4.596 1.00 0.00 O ATOM 652 CB LEU A 48 -1.909 7.524 -4.527 1.00 0.00 C ATOM 653 CG LEU A 48 -3.366 7.381 -4.977 1.00 0.00 C ATOM 654 CD1 LEU A 48 -3.660 5.952 -5.395 1.00 0.00 C ATOM 655 CD2 LEU A 48 -4.317 7.820 -3.874 1.00 0.00 C ATOM 0 H LEU A 48 -2.004 9.677 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.065 8.993 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.260 7.336 -5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.695 6.752 -3.788 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.519 8.030 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.700 5.872 -5.711 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.007 5.673 -6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.484 5.283 -4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.346 7.710 -4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.160 7.201 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.127 8.864 -3.624 1.00 0.00 H new ATOM 666 N GLU A 49 0.294 9.219 -2.420 1.00 0.00 N ATOM 667 CA GLU A 49 1.680 9.347 -2.001 1.00 0.00 C ATOM 668 C GLU A 49 2.113 8.099 -1.244 1.00 0.00 C ATOM 669 O GLU A 49 1.407 7.669 -0.329 1.00 0.00 O ATOM 670 CB GLU A 49 1.829 10.593 -1.121 1.00 0.00 C ATOM 671 CG GLU A 49 3.148 10.691 -0.372 1.00 0.00 C ATOM 672 CD GLU A 49 3.215 11.907 0.533 1.00 0.00 C ATOM 673 OE1 GLU A 49 2.324 12.058 1.396 1.00 0.00 O ATOM 674 OE2 GLU A 49 4.170 12.704 0.406 1.00 0.00 O ATOM 0 H GLU A 49 -0.379 9.324 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 49 2.320 9.453 -2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.716 11.478 -1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.014 10.609 -0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.291 9.790 0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.967 10.731 -1.090 1.00 0.00 H new ATOM 679 N TYR A 50 3.247 7.512 -1.660 1.00 0.00 N ATOM 680 CA TYR A 50 3.788 6.300 -1.042 1.00 0.00 C ATOM 681 C TYR A 50 3.594 6.267 0.364 1.00 0.00 C ATOM 682 O TYR A 50 2.849 5.408 0.834 1.00 0.00 O ATOM 683 CB TYR A 50 5.260 5.999 -1.343 1.00 0.00 C ATOM 684 CG TYR A 50 5.976 6.904 -2.332 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.583 6.977 -3.658 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.083 7.648 -1.939 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.263 7.763 -4.565 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.765 8.443 -2.840 1.00 0.00 C ATOM 689 CZ TYR A 50 7.350 8.494 -4.152 1.00 0.00 C ATOM 690 OH TYR A 50 8.031 9.272 -5.058 1.00 0.00 O ATOM 0 H TYR A 50 3.810 7.867 -2.433 1.00 0.00 H new ATOM 0 HA TYR A 50 3.202 5.516 -1.521 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.808 6.030 -0.402 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.324 4.977 -1.716 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.727 6.407 -3.988 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.415 7.604 -0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.942 7.803 -5.595 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.618 9.021 -2.517 1.00 0.00 H new ATOM 0 HH TYR A 50 7.413 9.581 -5.754 1.00 0.00 H new ATOM 699 N PRO A 51 4.193 7.099 1.124 1.00 0.00 N ATOM 700 CA PRO A 51 3.948 6.913 2.432 1.00 0.00 C ATOM 701 C PRO A 51 3.094 7.993 3.040 1.00 0.00 C ATOM 702 O PRO A 51 3.385 9.190 2.964 1.00 0.00 O ATOM 703 CB PRO A 51 5.331 6.871 2.932 1.00 0.00 C ATOM 704 CG PRO A 51 6.020 7.977 2.167 1.00 0.00 C ATOM 705 CD PRO A 51 5.227 8.111 0.888 1.00 0.00 C ATOM 0 HA PRO A 51 3.356 6.031 2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.374 7.041 4.008 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.796 5.903 2.744 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.020 8.909 2.732 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.061 7.728 1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.811 9.110 0.758 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.825 7.897 0.002 1.00 0.00 H new ATOM 710 N GLY A 52 2.053 7.554 3.653 1.00 0.00 N ATOM 711 CA GLY A 52 1.130 8.472 4.235 1.00 0.00 C ATOM 712 C GLY A 52 0.174 7.834 5.206 1.00 0.00 C ATOM 713 O GLY A 52 0.404 6.721 5.674 1.00 0.00 O ATOM 0 H GLY A 52 1.816 6.568 3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.686 9.256 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.560 8.953 3.440 1.00 0.00 H new ATOM 717 N GLU A 53 -0.914 8.540 5.479 1.00 0.00 N ATOM 718 CA GLU A 53 -1.935 8.075 6.404 1.00 0.00 C ATOM 719 C GLU A 53 -3.296 8.665 6.045 1.00 0.00 C ATOM 720 O GLU A 53 -3.385 9.794 5.557 1.00 0.00 O ATOM 721 CB GLU A 53 -1.582 8.469 7.842 1.00 0.00 C ATOM 722 CG GLU A 53 -0.391 7.725 8.423 1.00 0.00 C ATOM 723 CD GLU A 53 0.007 8.244 9.785 1.00 0.00 C ATOM 724 OE1 GLU A 53 -0.769 8.061 10.744 1.00 0.00 O ATOM 725 OE2 GLU A 53 1.089 8.856 9.906 1.00 0.00 O ATOM 0 H GLU A 53 -1.113 9.451 5.065 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.981 6.989 6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.376 9.539 7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.450 8.293 8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.631 6.664 8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.456 7.813 7.742 1.00 0.00 H new ATOM 730 N SER A 54 -4.339 7.879 6.285 1.00 0.00 N ATOM 731 CA SER A 54 -5.720 8.268 6.043 1.00 0.00 C ATOM 732 C SER A 54 -5.989 8.745 4.611 1.00 0.00 C ATOM 733 O SER A 54 -6.733 9.702 4.404 1.00 0.00 O ATOM 734 CB SER A 54 -6.130 9.337 7.049 1.00 0.00 C ATOM 735 OG SER A 54 -6.000 8.857 8.378 1.00 0.00 O ATOM 0 H SER A 54 -4.245 6.935 6.661 1.00 0.00 H new ATOM 0 HA SER A 54 -6.327 7.372 6.172 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.511 10.224 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.161 9.638 6.866 1.00 0.00 H new ATOM 0 HG SER A 54 -6.267 9.560 9.007 1.00 0.00 H new ATOM 740 N PHE A 55 -5.407 8.082 3.616 1.00 0.00 N ATOM 741 CA PHE A 55 -5.655 8.474 2.229 1.00 0.00 C ATOM 742 C PHE A 55 -7.076 8.071 1.839 1.00 0.00 C ATOM 743 O PHE A 55 -7.759 8.777 1.105 1.00 0.00 O ATOM 744 CB PHE A 55 -4.641 7.832 1.264 1.00 0.00 C ATOM 745 CG PHE A 55 -4.957 6.407 0.892 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.625 5.366 1.736 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.598 6.117 -0.305 1.00 0.00 C ATOM 748 CE1 PHE A 55 -4.925 4.062 1.399 1.00 0.00 C ATOM 749 CE2 PHE A 55 -5.902 4.814 -0.646 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.564 3.785 0.207 1.00 0.00 C ATOM 0 H PHE A 55 -4.775 7.290 3.736 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.539 9.555 2.153 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.593 8.431 0.354 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.652 7.865 1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.125 5.575 2.670 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.862 6.920 -0.977 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.660 3.257 2.068 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.403 4.601 -1.579 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.799 2.764 -0.057 1.00 0.00 H new ATOM 759 N GLY A 56 -7.526 6.946 2.393 1.00 0.00 N ATOM 760 CA GLY A 56 -8.854 6.433 2.097 1.00 0.00 C ATOM 761 C GLY A 56 -9.940 7.340 2.621 1.00 0.00 C ATOM 762 O GLY A 56 -11.087 7.271 2.185 1.00 0.00 O ATOM 0 H GLY A 56 -6.989 6.377 3.047 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.966 6.318 1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.966 5.442 2.536 1.00 0.00 H new ATOM 766 N SER A 57 -9.559 8.200 3.550 1.00 0.00 N ATOM 767 CA SER A 57 -10.471 9.147 4.160 1.00 0.00 C ATOM 768 C SER A 57 -10.909 10.218 3.156 1.00 0.00 C ATOM 769 O SER A 57 -11.798 11.021 3.437 1.00 0.00 O ATOM 770 CB SER A 57 -9.782 9.785 5.363 1.00 0.00 C ATOM 771 OG SER A 57 -9.380 8.796 6.298 1.00 0.00 O ATOM 0 H SER A 57 -8.604 8.260 3.903 1.00 0.00 H new ATOM 0 HA SER A 57 -11.369 8.623 4.486 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.913 10.352 5.031 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.459 10.491 5.843 1.00 0.00 H new ATOM 0 HG SER A 57 -9.393 9.175 7.201 1.00 0.00 H new ATOM 776 N SER A 58 -10.267 10.237 1.994 1.00 0.00 N ATOM 777 CA SER A 58 -10.603 11.198 0.953 1.00 0.00 C ATOM 778 C SER A 58 -10.428 10.576 -0.436 1.00 0.00 C ATOM 779 O SER A 58 -10.524 11.268 -1.449 1.00 0.00 O ATOM 780 CB SER A 58 -9.726 12.447 1.089 1.00 0.00 C ATOM 781 OG SER A 58 -9.832 13.007 2.390 1.00 0.00 O ATOM 0 H SER A 58 -9.511 9.597 1.750 1.00 0.00 H new ATOM 0 HA SER A 58 -11.648 11.484 1.070 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.687 12.190 0.884 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.024 13.187 0.346 1.00 0.00 H new ATOM 0 HG SER A 58 -9.262 13.802 2.452 1.00 0.00 H new ATOM 786 N CYS A 59 -10.180 9.268 -0.472 1.00 0.00 N ATOM 787 CA CYS A 59 -9.976 8.554 -1.731 1.00 0.00 C ATOM 788 C CYS A 59 -11.146 7.637 -2.046 1.00 0.00 C ATOM 789 O CYS A 59 -11.846 7.166 -1.147 1.00 0.00 O ATOM 790 CB CYS A 59 -8.705 7.698 -1.687 1.00 0.00 C ATOM 791 SG CYS A 59 -7.147 8.549 -2.113 1.00 0.00 S ATOM 0 H CYS A 59 -10.115 8.680 0.359 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.885 9.317 -2.504 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.606 7.283 -0.684 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.834 6.857 -2.369 1.00 0.00 H new ATOM 795 N VAL A 60 -11.339 7.389 -3.331 1.00 0.00 N ATOM 796 CA VAL A 60 -12.389 6.507 -3.814 1.00 0.00 C ATOM 797 C VAL A 60 -11.883 5.701 -5.003 1.00 0.00 C ATOM 798 O VAL A 60 -10.822 6.008 -5.554 1.00 0.00 O ATOM 799 CB VAL A 60 -13.658 7.278 -4.235 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.339 7.902 -3.027 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.325 8.343 -5.270 1.00 0.00 C ATOM 0 H VAL A 60 -10.769 7.796 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.655 5.847 -2.989 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.349 6.566 -4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.231 8.440 -3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.622 7.119 -2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.653 8.595 -2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.235 8.873 -5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.609 9.049 -4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -12.893 7.871 -6.152 1.00 0.00 H new ATOM 811 N LYS A 61 -12.641 4.674 -5.383 1.00 0.00 N ATOM 812 CA LYS A 61 -12.294 3.805 -6.510 1.00 0.00 C ATOM 813 C LYS A 61 -10.992 3.052 -6.249 1.00 0.00 C ATOM 814 O LYS A 61 -10.227 2.776 -7.175 1.00 0.00 O ATOM 815 CB LYS A 61 -12.189 4.597 -7.821 1.00 0.00 C ATOM 816 CG LYS A 61 -13.530 4.918 -8.475 1.00 0.00 C ATOM 817 CD LYS A 61 -14.364 5.879 -7.643 1.00 0.00 C ATOM 818 CE LYS A 61 -15.689 6.207 -8.316 1.00 0.00 C ATOM 819 NZ LYS A 61 -16.567 5.014 -8.442 1.00 0.00 N ATOM 0 H LYS A 61 -13.513 4.419 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.101 3.079 -6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.662 5.531 -7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.582 4.029 -8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.357 5.351 -9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.088 3.994 -8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.553 5.441 -6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.803 6.799 -7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.205 6.976 -7.742 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.499 6.622 -9.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.516 5.312 -8.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.166 4.361 -9.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.634 4.534 -7.522 1.00 0.00 H new ATOM 829 N THR A 62 -10.754 2.723 -4.985 1.00 0.00 N ATOM 830 CA THR A 62 -9.555 1.997 -4.590 1.00 0.00 C ATOM 831 C THR A 62 -9.470 0.638 -5.292 1.00 0.00 C ATOM 832 O THR A 62 -10.369 -0.194 -5.167 1.00 0.00 O ATOM 833 CB THR A 62 -9.516 1.788 -3.065 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.840 1.537 -2.572 1.00 0.00 O ATOM 835 CG2 THR A 62 -8.932 2.993 -2.348 1.00 0.00 C ATOM 0 H THR A 62 -11.380 2.950 -4.212 1.00 0.00 H new ATOM 0 HA THR A 62 -8.699 2.601 -4.891 1.00 0.00 H new ATOM 0 HB THR A 62 -8.874 0.930 -2.866 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.859 1.675 -1.602 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.921 2.807 -1.274 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.914 3.166 -2.697 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.541 3.872 -2.558 1.00 0.00 H new ATOM 843 N ALA A 63 -8.386 0.424 -6.023 1.00 0.00 N ATOM 844 CA ALA A 63 -8.174 -0.819 -6.756 1.00 0.00 C ATOM 845 C ALA A 63 -6.685 -1.072 -6.924 1.00 0.00 C ATOM 846 O ALA A 63 -5.881 -0.153 -6.794 1.00 0.00 O ATOM 847 CB ALA A 63 -8.860 -0.761 -8.109 1.00 0.00 C ATOM 0 H ALA A 63 -7.631 1.102 -6.126 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.609 -1.642 -6.189 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.692 -1.696 -8.643 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.930 -0.611 -7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.451 0.066 -8.689 1.00 0.00 H new ATOM 853 N LEU A 64 -6.318 -2.307 -7.218 1.00 0.00 N ATOM 854 CA LEU A 64 -4.915 -2.661 -7.379 1.00 0.00 C ATOM 855 C LEU A 64 -4.596 -3.075 -8.812 1.00 0.00 C ATOM 856 O LEU A 64 -5.084 -4.096 -9.297 1.00 0.00 O ATOM 857 CB LEU A 64 -4.556 -3.796 -6.414 1.00 0.00 C ATOM 858 CG LEU A 64 -3.607 -3.422 -5.269 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.182 -3.298 -5.767 1.00 0.00 C ATOM 860 CD2 LEU A 64 -4.037 -2.123 -4.613 1.00 0.00 C ATOM 0 H LEU A 64 -6.969 -3.081 -7.350 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.318 -1.778 -7.150 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.478 -4.187 -5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.103 -4.605 -6.987 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.651 -4.221 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.528 -3.032 -4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.861 -4.249 -6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.130 -2.523 -6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.349 -1.879 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.028 -1.322 -5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.044 -2.234 -4.211 1.00 0.00 H new ATOM 871 N ASN A 65 -3.781 -2.271 -9.488 1.00 0.00 N ATOM 872 CA ASN A 65 -3.370 -2.567 -10.852 1.00 0.00 C ATOM 873 C ASN A 65 -2.375 -3.712 -10.846 1.00 0.00 C ATOM 874 O ASN A 65 -1.290 -3.594 -10.263 1.00 0.00 O ATOM 875 CB ASN A 65 -2.721 -1.354 -11.529 1.00 0.00 C ATOM 876 CG ASN A 65 -3.716 -0.295 -11.956 1.00 0.00 C ATOM 877 OD1 ASN A 65 -4.893 -0.579 -12.184 1.00 0.00 O ATOM 878 ND2 ASN A 65 -3.238 0.929 -12.114 1.00 0.00 N ATOM 0 H ASN A 65 -3.392 -1.407 -9.110 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.265 -2.836 -11.413 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.000 -0.908 -10.844 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.164 -1.691 -12.403 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.851 1.678 -12.435 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.257 1.123 -11.914 1.00 0.00 H new ATOM 884 N ASP A 66 -2.771 -4.817 -11.464 1.00 0.00 N ATOM 885 CA ASP A 66 -1.937 -6.019 -11.572 1.00 0.00 C ATOM 886 C ASP A 66 -1.457 -6.498 -10.195 1.00 0.00 C ATOM 887 O ASP A 66 -0.481 -7.237 -10.085 1.00 0.00 O ATOM 888 CB ASP A 66 -0.749 -5.752 -12.502 1.00 0.00 C ATOM 889 CG ASP A 66 -0.177 -7.020 -13.104 1.00 0.00 C ATOM 890 OD1 ASP A 66 -0.858 -7.633 -13.954 1.00 0.00 O ATOM 891 OD2 ASP A 66 0.953 -7.404 -12.744 1.00 0.00 O ATOM 0 H ASP A 66 -3.684 -4.911 -11.909 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.545 -6.817 -11.998 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.064 -5.085 -13.304 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.033 -5.235 -11.946 1.00 0.00 H new ATOM 895 N GLY A 67 -2.155 -6.064 -9.149 1.00 0.00 N ATOM 896 CA GLY A 67 -1.813 -6.452 -7.791 1.00 0.00 C ATOM 897 C GLY A 67 -0.490 -5.887 -7.290 1.00 0.00 C ATOM 898 O GLY A 67 0.151 -6.498 -6.439 1.00 0.00 O ATOM 0 H GLY A 67 -2.961 -5.443 -9.220 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.610 -6.127 -7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.774 -7.540 -7.736 1.00 0.00 H new ATOM 902 N HIS A 68 -0.084 -4.719 -7.784 1.00 0.00 N ATOM 903 CA HIS A 68 1.171 -4.111 -7.334 1.00 0.00 C ATOM 904 C HIS A 68 1.064 -2.589 -7.223 1.00 0.00 C ATOM 905 O HIS A 68 1.802 -1.961 -6.465 1.00 0.00 O ATOM 906 CB HIS A 68 2.358 -4.513 -8.233 1.00 0.00 C ATOM 907 CG HIS A 68 2.214 -4.204 -9.699 1.00 0.00 C ATOM 908 ND1 HIS A 68 2.488 -5.126 -10.685 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.875 -3.065 -10.347 1.00 0.00 C ATOM 910 CE1 HIS A 68 2.325 -4.567 -11.868 1.00 0.00 C ATOM 911 NE2 HIS A 68 1.950 -3.317 -11.692 1.00 0.00 N ATOM 0 H HIS A 68 -0.594 -4.181 -8.484 1.00 0.00 H new ATOM 0 HA HIS A 68 1.363 -4.501 -6.335 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.253 -4.012 -7.863 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.524 -5.585 -8.123 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.596 -2.128 -9.888 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.474 -5.053 -12.821 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.749 -2.647 -12.434 1.00 0.00 H new ATOM 919 N THR A 69 0.143 -2.003 -7.971 1.00 0.00 N ATOM 920 CA THR A 69 -0.054 -0.566 -7.950 1.00 0.00 C ATOM 921 C THR A 69 -1.439 -0.210 -7.422 1.00 0.00 C ATOM 922 O THR A 69 -2.433 -0.789 -7.834 1.00 0.00 O ATOM 923 CB THR A 69 0.130 0.015 -9.365 1.00 0.00 C ATOM 924 OG1 THR A 69 1.510 -0.058 -9.746 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.364 1.450 -9.443 1.00 0.00 C ATOM 0 H THR A 69 -0.482 -2.505 -8.602 1.00 0.00 H new ATOM 0 HA THR A 69 0.690 -0.133 -7.282 1.00 0.00 H new ATOM 0 HB THR A 69 -0.466 -0.579 -10.057 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.621 0.311 -10.647 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.220 1.830 -10.454 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.424 1.484 -9.190 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.197 2.067 -8.740 1.00 0.00 H new ATOM 933 N LEU A 70 -1.501 0.732 -6.504 1.00 0.00 N ATOM 934 CA LEU A 70 -2.778 1.161 -5.954 1.00 0.00 C ATOM 935 C LEU A 70 -3.327 2.313 -6.770 1.00 0.00 C ATOM 936 O LEU A 70 -2.627 3.276 -7.041 1.00 0.00 O ATOM 937 CB LEU A 70 -2.630 1.566 -4.485 1.00 0.00 C ATOM 938 CG LEU A 70 -3.765 2.415 -3.900 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.084 1.660 -3.924 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.423 2.838 -2.481 1.00 0.00 C ATOM 0 H LEU A 70 -0.688 1.216 -6.122 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.477 0.326 -6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.537 0.659 -3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.697 2.118 -4.374 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.877 3.305 -4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.870 2.287 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.337 1.402 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.992 0.748 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.236 3.440 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.283 1.952 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.505 3.425 -2.488 1.00 0.00 H new ATOM 951 N THR A 71 -4.570 2.197 -7.176 1.00 0.00 N ATOM 952 CA THR A 71 -5.211 3.232 -7.961 1.00 0.00 C ATOM 953 C THR A 71 -6.433 3.763 -7.235 1.00 0.00 C ATOM 954 O THR A 71 -7.271 2.986 -6.775 1.00 0.00 O ATOM 955 CB THR A 71 -5.636 2.694 -9.338 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.430 1.274 -9.390 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.852 3.369 -10.451 1.00 0.00 C ATOM 0 H THR A 71 -5.163 1.392 -6.975 1.00 0.00 H new ATOM 0 HA THR A 71 -4.490 4.037 -8.102 1.00 0.00 H new ATOM 0 HB THR A 71 -6.694 2.914 -9.481 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.703 0.936 -10.268 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.171 2.971 -11.414 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.034 4.443 -10.424 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.788 3.178 -10.314 1.00 0.00 H new ATOM 965 N ALA A 72 -6.517 5.077 -7.109 1.00 0.00 N ATOM 966 CA ALA A 72 -7.646 5.705 -6.449 1.00 0.00 C ATOM 967 C ALA A 72 -7.706 7.185 -6.777 1.00 0.00 C ATOM 968 O ALA A 72 -6.741 7.765 -7.272 1.00 0.00 O ATOM 969 CB ALA A 72 -7.569 5.502 -4.944 1.00 0.00 C ATOM 0 H ALA A 72 -5.814 5.730 -7.456 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.557 5.233 -6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.425 5.981 -4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.579 4.435 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.648 5.944 -4.564 1.00 0.00 H new ATOM 975 N SER A 73 -8.851 7.778 -6.511 1.00 0.00 N ATOM 976 CA SER A 73 -9.062 9.191 -6.754 1.00 0.00 C ATOM 977 C SER A 73 -9.271 9.897 -5.421 1.00 0.00 C ATOM 978 O SER A 73 -10.198 9.567 -4.681 1.00 0.00 O ATOM 979 CB SER A 73 -10.276 9.379 -7.667 1.00 0.00 C ATOM 980 OG SER A 73 -10.520 10.746 -7.945 1.00 0.00 O ATOM 0 H SER A 73 -9.661 7.296 -6.121 1.00 0.00 H new ATOM 0 HA SER A 73 -8.192 9.622 -7.249 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.114 8.842 -8.601 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.156 8.941 -7.196 1.00 0.00 H new ATOM 0 HG SER A 73 -11.462 10.868 -8.184 1.00 0.00 H new ATOM 985 N CYS A 74 -8.402 10.846 -5.102 1.00 0.00 N ATOM 986 CA CYS A 74 -8.504 11.568 -3.842 1.00 0.00 C ATOM 987 C CYS A 74 -8.780 13.042 -4.058 1.00 0.00 C ATOM 988 O CYS A 74 -8.484 13.600 -5.113 1.00 0.00 O ATOM 989 CB CYS A 74 -7.220 11.428 -3.028 1.00 0.00 C ATOM 990 SG CYS A 74 -7.398 10.459 -1.499 1.00 0.00 S ATOM 0 H CYS A 74 -7.623 11.133 -5.695 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.339 11.127 -3.298 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.458 10.961 -3.652 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -6.857 12.423 -2.772 1.00 0.00 H new ATOM 994 N LYS A 75 -9.356 13.657 -3.042 1.00 0.00 N ATOM 995 CA LYS A 75 -9.665 15.078 -3.060 1.00 0.00 C ATOM 996 C LYS A 75 -8.588 15.837 -2.297 1.00 0.00 C ATOM 997 O LYS A 75 -8.072 15.342 -1.296 1.00 0.00 O ATOM 998 CB LYS A 75 -11.056 15.333 -2.445 1.00 0.00 C ATOM 999 CG LYS A 75 -11.350 16.799 -2.141 1.00 0.00 C ATOM 1000 CD LYS A 75 -10.935 17.169 -0.720 1.00 0.00 C ATOM 1001 CE LYS A 75 -10.859 18.672 -0.525 1.00 0.00 C ATOM 1002 NZ LYS A 75 -10.486 19.035 0.870 1.00 0.00 N ATOM 0 H LYS A 75 -9.624 13.186 -2.178 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.685 15.432 -4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.817 14.956 -3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.143 14.758 -1.523 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.820 17.433 -2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.415 16.993 -2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.648 16.747 -0.012 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.965 16.725 -0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.128 19.091 -1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.822 19.119 -0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.445 20.070 0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.197 18.658 1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.555 18.631 1.097 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.236 17.027 -2.766 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.237 17.803 -2.061 1.00 0.00 C ATOM 1014 C GLY A 76 -6.477 18.772 -2.937 1.00 0.00 C ATOM 1015 O GLY A 76 -5.840 19.690 -2.429 1.00 0.00 O ATOM 0 H GLY A 76 -8.617 17.462 -3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.723 18.359 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.528 17.121 -1.591 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.519 18.573 -4.247 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.817 19.465 -5.160 1.00 0.00 C ATOM 1021 C ALA A 77 -6.391 20.873 -5.076 1.00 0.00 C ATOM 1022 O ALA A 77 -5.651 21.855 -5.119 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.865 18.930 -6.582 1.00 0.00 C ATOM 0 H ALA A 77 -7.025 17.811 -4.698 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.770 19.512 -4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.334 19.613 -7.246 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.392 17.949 -6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.903 18.845 -6.904 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.709 20.953 -4.927 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.404 22.235 -4.813 1.00 0.00 C ATOM 1031 C ASP A 78 -9.891 21.996 -4.585 1.00 0.00 C ATOM 1032 O ASP A 78 -10.726 22.393 -5.394 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.213 23.086 -6.073 1.00 0.00 C ATOM 1034 CG ASP A 78 -8.350 24.571 -5.791 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -9.458 25.026 -5.437 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -7.336 25.292 -5.906 1.00 0.00 O ATOM 0 H ASP A 78 -8.323 20.140 -4.882 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.979 22.774 -3.966 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.228 22.888 -6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.948 22.791 -6.823 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.216 21.305 -3.497 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.607 21.007 -3.187 1.00 0.00 C ATOM 1042 C GLY A 79 -12.225 20.058 -4.195 1.00 0.00 C ATOM 1043 O GLY A 79 -13.446 19.931 -4.287 1.00 0.00 O ATOM 0 H GLY A 79 -9.542 20.945 -2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.670 20.569 -2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.180 21.934 -3.164 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.367 19.397 -4.953 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.795 18.460 -5.972 1.00 0.00 C ATOM 1049 C GLN A 80 -10.888 17.239 -5.959 1.00 0.00 C ATOM 1050 O GLN A 80 -9.795 17.277 -5.380 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.775 19.138 -7.342 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.419 19.705 -7.728 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.489 20.583 -8.965 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -11.502 21.229 -9.223 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.421 20.606 -9.743 1.00 0.00 N ATOM 0 H GLN A 80 -10.355 19.496 -4.878 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.815 18.136 -5.764 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.085 18.417 -8.098 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.510 19.943 -7.349 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.021 20.286 -6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.723 18.885 -7.907 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.598 20.056 -9.496 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.420 21.174 -10.590 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.347 16.166 -6.583 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.595 14.923 -6.633 1.00 0.00 C ATOM 1064 C TYR A 81 -9.826 14.799 -7.940 1.00 0.00 C ATOM 1065 O TYR A 81 -10.006 15.603 -8.855 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.533 13.723 -6.455 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.641 13.640 -7.486 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.416 13.078 -8.735 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -13.915 14.116 -7.204 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.424 12.993 -9.672 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -14.929 14.036 -8.138 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.678 13.472 -9.370 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.688 13.385 -10.299 1.00 0.00 O ATOM 0 H TYR A 81 -12.245 16.132 -7.066 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.875 14.933 -5.815 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.944 12.807 -6.497 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.979 13.770 -5.462 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.434 12.700 -8.977 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.116 14.556 -6.238 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.230 12.552 -10.639 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -15.914 14.413 -7.904 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.509 13.768 -9.926 1.00 0.00 H new ATOM 1082 N HIS A 82 -8.972 13.787 -8.019 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.176 13.541 -9.208 1.00 0.00 C ATOM 1084 C HIS A 82 -7.732 12.084 -9.227 1.00 0.00 C ATOM 1085 O HIS A 82 -7.325 11.538 -8.199 1.00 0.00 O ATOM 1086 CB HIS A 82 -6.954 14.462 -9.225 1.00 0.00 C ATOM 1087 CG HIS A 82 -6.678 15.077 -10.563 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -7.073 16.355 -10.899 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -6.022 14.593 -11.644 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -6.673 16.628 -12.127 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -6.031 15.577 -12.600 1.00 0.00 N ATOM 0 H HIS A 82 -8.814 13.119 -7.264 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.779 13.747 -10.093 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.100 15.257 -8.493 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.079 13.894 -8.909 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.575 13.614 -11.737 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.843 17.555 -12.655 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.610 15.507 -13.526 1.00 0.00 H new ATOM 1099 N ASP A 83 -7.822 11.456 -10.388 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.434 10.057 -10.538 1.00 0.00 C ATOM 1101 C ASP A 83 -5.922 9.915 -10.413 1.00 0.00 C ATOM 1102 O ASP A 83 -5.169 10.631 -11.076 1.00 0.00 O ATOM 1103 CB ASP A 83 -7.909 9.514 -11.887 1.00 0.00 C ATOM 1104 CG ASP A 83 -7.504 8.072 -12.114 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -6.384 7.836 -12.622 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -8.304 7.167 -11.794 1.00 0.00 O ATOM 0 H ASP A 83 -8.161 11.892 -11.245 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.907 9.477 -9.746 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.994 9.595 -11.945 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.500 10.132 -12.687 1.00 0.00 H new ATOM 1110 N SER A 84 -5.479 9.006 -9.553 1.00 0.00 N ATOM 1111 CA SER A 84 -4.059 8.796 -9.337 1.00 0.00 C ATOM 1112 C SER A 84 -3.754 7.327 -9.045 1.00 0.00 C ATOM 1113 O SER A 84 -4.661 6.518 -8.836 1.00 0.00 O ATOM 1114 CB SER A 84 -3.593 9.674 -8.171 1.00 0.00 C ATOM 1115 OG SER A 84 -2.184 9.644 -8.018 1.00 0.00 O ATOM 0 H SER A 84 -6.085 8.404 -8.995 1.00 0.00 H new ATOM 0 HA SER A 84 -3.523 9.071 -10.245 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.919 10.701 -8.337 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.066 9.335 -7.249 1.00 0.00 H new ATOM 0 HG SER A 84 -1.759 9.655 -8.901 1.00 0.00 H new ATOM 1120 N SER A 85 -2.471 6.988 -9.057 1.00 0.00 N ATOM 1121 CA SER A 85 -2.017 5.636 -8.776 1.00 0.00 C ATOM 1122 C SER A 85 -0.748 5.693 -7.946 1.00 0.00 C ATOM 1123 O SER A 85 -0.104 6.740 -7.862 1.00 0.00 O ATOM 1124 CB SER A 85 -1.736 4.863 -10.057 1.00 0.00 C ATOM 1125 OG SER A 85 -2.426 5.432 -11.159 1.00 0.00 O ATOM 0 H SER A 85 -1.717 7.644 -9.262 1.00 0.00 H new ATOM 0 HA SER A 85 -2.809 5.122 -8.231 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.664 4.861 -10.257 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.039 3.823 -9.932 1.00 0.00 H new ATOM 0 HG SER A 85 -2.228 4.918 -11.970 1.00 0.00 H new ATOM 1130 N MET A 86 -0.386 4.576 -7.345 1.00 0.00 N ATOM 1131 CA MET A 86 0.796 4.519 -6.516 1.00 0.00 C ATOM 1132 C MET A 86 1.434 3.140 -6.550 1.00 0.00 C ATOM 1133 O MET A 86 0.772 2.138 -6.291 1.00 0.00 O ATOM 1134 CB MET A 86 0.428 4.863 -5.079 1.00 0.00 C ATOM 1135 CG MET A 86 1.615 4.897 -4.131 1.00 0.00 C ATOM 1136 SD MET A 86 2.603 6.400 -4.303 1.00 0.00 S ATOM 1137 CE MET A 86 3.252 6.278 -5.968 1.00 0.00 C ATOM 0 H MET A 86 -0.896 3.696 -7.417 1.00 0.00 H new ATOM 0 HA MET A 86 1.515 5.240 -6.906 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.065 5.835 -5.063 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.295 4.133 -4.715 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.257 4.818 -3.104 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.247 4.029 -4.316 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.929 7.111 -6.156 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.793 5.338 -6.080 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.429 6.311 -6.682 1.00 0.00 H new ATOM 1145 N ASP A 87 2.717 3.085 -6.876 1.00 0.00 N ATOM 1146 CA ASP A 87 3.437 1.826 -6.908 1.00 0.00 C ATOM 1147 C ASP A 87 3.726 1.382 -5.485 1.00 0.00 C ATOM 1148 O ASP A 87 4.596 1.941 -4.816 1.00 0.00 O ATOM 1149 CB ASP A 87 4.761 1.965 -7.659 1.00 0.00 C ATOM 1150 CG ASP A 87 4.615 2.550 -9.044 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.372 1.786 -10.000 1.00 0.00 O ATOM 1152 OD2 ASP A 87 4.767 3.782 -9.186 1.00 0.00 O ATOM 0 H ASP A 87 3.279 3.900 -7.122 1.00 0.00 H new ATOM 0 HA ASP A 87 2.819 1.091 -7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.434 2.595 -7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.230 0.984 -7.736 1.00 0.00 H new ATOM 1156 N LEU A 88 3.008 0.375 -5.021 1.00 0.00 N ATOM 1157 CA LEU A 88 3.191 -0.129 -3.666 1.00 0.00 C ATOM 1158 C LEU A 88 4.412 -1.024 -3.615 1.00 0.00 C ATOM 1159 O LEU A 88 4.839 -1.459 -2.545 1.00 0.00 O ATOM 1160 CB LEU A 88 1.962 -0.902 -3.198 1.00 0.00 C ATOM 1161 CG LEU A 88 0.611 -0.265 -3.526 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.517 -1.083 -2.917 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.563 1.174 -3.027 1.00 0.00 C ATOM 0 H LEU A 88 2.292 -0.112 -5.560 1.00 0.00 H new ATOM 0 HA LEU A 88 3.333 0.722 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.991 -1.897 -3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.028 -1.033 -2.118 1.00 0.00 H new ATOM 0 HG LEU A 88 0.484 -0.253 -4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.474 -0.619 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.492 -2.095 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.395 -1.122 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.406 1.611 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.708 1.190 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.352 1.752 -3.507 1.00 0.00 H new ATOM 1174 N ASN A 89 4.948 -1.315 -4.793 1.00 0.00 N ATOM 1175 CA ASN A 89 6.140 -2.152 -4.937 1.00 0.00 C ATOM 1176 C ASN A 89 7.268 -1.695 -4.011 1.00 0.00 C ATOM 1177 O ASN A 89 8.093 -2.504 -3.585 1.00 0.00 O ATOM 1178 CB ASN A 89 6.626 -2.131 -6.387 1.00 0.00 C ATOM 1179 CG ASN A 89 5.682 -2.852 -7.326 1.00 0.00 C ATOM 1180 OD1 ASN A 89 4.732 -2.265 -7.842 1.00 0.00 O ATOM 1181 ND2 ASN A 89 5.945 -4.128 -7.563 1.00 0.00 N ATOM 0 H ASN A 89 4.571 -0.979 -5.679 1.00 0.00 H new ATOM 0 HA ASN A 89 5.863 -3.168 -4.656 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.739 -1.097 -6.714 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.612 -2.593 -6.443 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.349 -4.663 -8.195 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.744 -4.576 -7.114 1.00 0.00 H new ATOM 1187 N TYR A 90 7.296 -0.404 -3.689 1.00 0.00 N ATOM 1188 CA TYR A 90 8.322 0.129 -2.810 1.00 0.00 C ATOM 1189 C TYR A 90 7.712 0.732 -1.551 1.00 0.00 C ATOM 1190 O TYR A 90 8.328 1.575 -0.896 1.00 0.00 O ATOM 1191 CB TYR A 90 9.212 1.149 -3.539 1.00 0.00 C ATOM 1192 CG TYR A 90 8.473 2.161 -4.389 1.00 0.00 C ATOM 1193 CD1 TYR A 90 7.821 3.246 -3.816 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.445 2.037 -5.772 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.159 4.172 -4.597 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.789 2.961 -6.559 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.147 4.028 -5.969 1.00 0.00 C ATOM 1198 OH TYR A 90 6.490 4.955 -6.752 1.00 0.00 O ATOM 0 H TYR A 90 6.622 0.285 -4.023 1.00 0.00 H new ATOM 0 HA TYR A 90 8.957 -0.703 -2.506 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.804 1.685 -2.798 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.912 0.607 -4.175 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.832 3.367 -2.743 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.946 1.202 -6.240 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.652 5.007 -4.135 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.779 2.848 -7.633 1.00 0.00 H new ATOM 0 HH TYR A 90 6.368 5.784 -6.244 1.00 0.00 H new ATOM 1207 N VAL A 91 6.490 0.313 -1.224 1.00 0.00 N ATOM 1208 CA VAL A 91 5.821 0.800 -0.022 1.00 0.00 C ATOM 1209 C VAL A 91 5.340 -0.374 0.840 1.00 0.00 C ATOM 1210 O VAL A 91 5.037 -0.209 2.024 1.00 0.00 O ATOM 1211 CB VAL A 91 4.664 1.794 -0.327 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.031 2.711 -1.461 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.343 1.129 -0.617 1.00 0.00 C ATOM 0 H VAL A 91 5.948 -0.357 -1.770 1.00 0.00 H new ATOM 0 HA VAL A 91 6.560 1.368 0.543 1.00 0.00 H new ATOM 0 HB VAL A 91 4.528 2.368 0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.206 3.397 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.921 3.280 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.231 2.121 -2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.589 1.890 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.446 0.480 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.037 0.536 0.245 1.00 0.00 H new ATOM 1223 N VAL A 92 5.290 -1.565 0.239 1.00 0.00 N ATOM 1224 CA VAL A 92 4.889 -2.780 0.943 1.00 0.00 C ATOM 1225 C VAL A 92 5.885 -3.889 0.626 1.00 0.00 C ATOM 1226 O VAL A 92 6.449 -3.929 -0.470 1.00 0.00 O ATOM 1227 CB VAL A 92 3.481 -3.286 0.545 1.00 0.00 C ATOM 1228 CG1 VAL A 92 2.943 -4.259 1.586 1.00 0.00 C ATOM 1229 CG2 VAL A 92 2.511 -2.144 0.336 1.00 0.00 C ATOM 0 H VAL A 92 5.525 -1.712 -0.743 1.00 0.00 H new ATOM 0 HA VAL A 92 4.868 -2.531 2.004 1.00 0.00 H new ATOM 0 HB VAL A 92 3.582 -3.810 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.953 -4.602 1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.614 -5.114 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.877 -3.758 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.535 -2.542 0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.420 -1.571 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.878 -1.496 -0.459 1.00 0.00 H new ATOM 1239 N GLY A 93 6.092 -4.790 1.573 1.00 0.00 N ATOM 1240 CA GLY A 93 7.011 -5.884 1.360 1.00 0.00 C ATOM 1241 C GLY A 93 6.579 -7.134 2.093 1.00 0.00 C ATOM 1242 O GLY A 93 5.729 -7.073 2.988 1.00 0.00 O ATOM 0 H GLY A 93 5.638 -4.782 2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.083 -6.095 0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.006 -5.592 1.695 1.00 0.00 H new ATOM 1246 N ASN A 94 7.156 -8.265 1.716 1.00 0.00 N ATOM 1247 CA ASN A 94 6.826 -9.535 2.344 1.00 0.00 C ATOM 1248 C ASN A 94 7.969 -10.010 3.224 1.00 0.00 C ATOM 1249 O ASN A 94 9.135 -9.948 2.834 1.00 0.00 O ATOM 1250 CB ASN A 94 6.525 -10.608 1.297 1.00 0.00 C ATOM 1251 CG ASN A 94 6.225 -11.961 1.925 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.622 -12.047 2.995 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.671 -13.025 1.279 1.00 0.00 N ATOM 0 H ASN A 94 7.856 -8.329 0.977 1.00 0.00 H new ATOM 0 HA ASN A 94 5.937 -9.374 2.954 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.674 -10.294 0.693 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.376 -10.704 0.623 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.519 -13.957 1.665 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.167 -12.914 0.394 1.00 0.00 H new ATOM 1259 N SER A 95 7.626 -10.465 4.412 1.00 0.00 N ATOM 1260 CA SER A 95 8.598 -10.974 5.352 1.00 0.00 C ATOM 1261 C SER A 95 8.039 -12.199 6.054 1.00 0.00 C ATOM 1262 O SER A 95 7.279 -12.078 7.015 1.00 0.00 O ATOM 1263 CB SER A 95 8.950 -9.909 6.376 1.00 0.00 C ATOM 1264 OG SER A 95 9.671 -8.834 5.793 1.00 0.00 O ATOM 0 H SER A 95 6.664 -10.491 4.751 1.00 0.00 H new ATOM 0 HA SER A 95 9.502 -11.250 4.809 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.037 -9.528 6.833 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.544 -10.354 7.174 1.00 0.00 H new ATOM 0 HG SER A 95 9.878 -8.168 6.481 1.00 0.00 H new ATOM 1269 N TYR A 96 8.397 -13.371 5.545 1.00 0.00 N ATOM 1270 CA TYR A 96 7.945 -14.637 6.110 1.00 0.00 C ATOM 1271 C TYR A 96 6.429 -14.751 6.029 1.00 0.00 C ATOM 1272 O TYR A 96 5.772 -15.145 6.991 1.00 0.00 O ATOM 1273 CB TYR A 96 8.414 -14.791 7.563 1.00 0.00 C ATOM 1274 CG TYR A 96 9.914 -14.733 7.724 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.713 -15.812 7.366 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.534 -13.597 8.228 1.00 0.00 C ATOM 1277 CE1 TYR A 96 12.085 -15.758 7.506 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.905 -13.536 8.369 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.674 -14.619 8.007 1.00 0.00 C ATOM 1280 OH TYR A 96 14.041 -14.562 8.144 1.00 0.00 O ATOM 0 H TYR A 96 9.006 -13.471 4.733 1.00 0.00 H new ATOM 0 HA TYR A 96 8.386 -15.442 5.522 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.962 -14.005 8.167 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.052 -15.742 7.954 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.253 -16.706 6.972 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.933 -12.747 8.514 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.693 -16.605 7.224 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.372 -12.644 8.761 1.00 0.00 H new ATOM 0 HH TYR A 96 14.297 -13.690 8.510 1.00 0.00 H new ATOM 1289 N GLY A 97 5.888 -14.414 4.859 1.00 0.00 N ATOM 1290 CA GLY A 97 4.454 -14.469 4.637 1.00 0.00 C ATOM 1291 C GLY A 97 3.675 -13.637 5.632 1.00 0.00 C ATOM 1292 O GLY A 97 2.532 -13.956 5.953 1.00 0.00 O ATOM 0 H GLY A 97 6.427 -14.100 4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.233 -14.121 3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.121 -15.505 4.697 1.00 0.00 H new ATOM 1296 N TYR A 98 4.287 -12.566 6.118 1.00 0.00 N ATOM 1297 CA TYR A 98 3.643 -11.709 7.094 1.00 0.00 C ATOM 1298 C TYR A 98 3.665 -10.256 6.632 1.00 0.00 C ATOM 1299 O TYR A 98 4.592 -9.826 5.942 1.00 0.00 O ATOM 1300 CB TYR A 98 4.347 -11.851 8.444 1.00 0.00 C ATOM 1301 CG TYR A 98 3.562 -11.284 9.603 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.453 -11.954 10.100 1.00 0.00 C ATOM 1303 CD2 TYR A 98 3.932 -10.087 10.202 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.732 -11.447 11.162 1.00 0.00 C ATOM 1305 CE2 TYR A 98 3.218 -9.575 11.267 1.00 0.00 C ATOM 1306 CZ TYR A 98 2.119 -10.259 11.743 1.00 0.00 C ATOM 1307 OH TYR A 98 1.407 -9.758 12.807 1.00 0.00 O ATOM 0 H TYR A 98 5.227 -12.273 5.851 1.00 0.00 H new ATOM 0 HA TYR A 98 2.602 -12.014 7.200 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.543 -12.907 8.632 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.314 -11.351 8.393 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.149 -12.887 9.649 1.00 0.00 H new ATOM 0 HD2 TYR A 98 4.791 -9.549 9.829 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.869 -11.978 11.536 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.518 -8.644 11.725 1.00 0.00 H new ATOM 0 HH TYR A 98 1.810 -8.915 13.102 1.00 0.00 H new ATOM 1316 N MET A 99 2.617 -9.525 6.999 1.00 0.00 N ATOM 1317 CA MET A 99 2.478 -8.114 6.654 1.00 0.00 C ATOM 1318 C MET A 99 3.640 -7.289 7.198 1.00 0.00 C ATOM 1319 O MET A 99 3.697 -6.997 8.392 1.00 0.00 O ATOM 1320 CB MET A 99 1.156 -7.575 7.215 1.00 0.00 C ATOM 1321 CG MET A 99 0.857 -6.126 6.859 1.00 0.00 C ATOM 1322 SD MET A 99 1.307 -4.970 8.170 1.00 0.00 S ATOM 1323 CE MET A 99 0.230 -5.513 9.493 1.00 0.00 C ATOM 0 H MET A 99 1.839 -9.895 7.545 1.00 0.00 H new ATOM 0 HA MET A 99 2.483 -8.029 5.567 1.00 0.00 H new ATOM 0 HB2 MET A 99 0.341 -8.200 6.850 1.00 0.00 H new ATOM 0 HB3 MET A 99 1.171 -7.672 8.301 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.396 -5.863 5.949 1.00 0.00 H new ATOM 0 HG3 MET A 99 -0.206 -6.023 6.641 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.007 -4.668 10.140 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.691 -5.916 9.071 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.731 -6.286 10.075 1.00 0.00 H new ATOM 1331 N GLU A 100 4.565 -6.932 6.319 1.00 0.00 N ATOM 1332 CA GLU A 100 5.717 -6.125 6.699 1.00 0.00 C ATOM 1333 C GLU A 100 5.995 -5.063 5.641 1.00 0.00 C ATOM 1334 O GLU A 100 7.013 -5.109 4.945 1.00 0.00 O ATOM 1335 CB GLU A 100 6.939 -7.010 6.912 1.00 0.00 C ATOM 1336 CG GLU A 100 6.875 -7.815 8.197 1.00 0.00 C ATOM 1337 CD GLU A 100 7.093 -6.961 9.424 1.00 0.00 C ATOM 1338 OE1 GLU A 100 8.055 -6.162 9.432 1.00 0.00 O ATOM 1339 OE2 GLU A 100 6.325 -7.098 10.396 1.00 0.00 O ATOM 0 H GLU A 100 4.540 -7.190 5.332 1.00 0.00 H new ATOM 0 HA GLU A 100 5.494 -5.620 7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.038 -7.692 6.068 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.833 -6.387 6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.904 -8.306 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.628 -8.602 8.167 1.00 0.00 H new ATOM 1344 N PRO A 101 5.074 -4.098 5.506 1.00 0.00 N ATOM 1345 CA PRO A 101 5.188 -3.006 4.534 1.00 0.00 C ATOM 1346 C PRO A 101 6.398 -2.112 4.787 1.00 0.00 C ATOM 1347 O PRO A 101 6.482 -1.428 5.806 1.00 0.00 O ATOM 1348 CB PRO A 101 3.891 -2.211 4.725 1.00 0.00 C ATOM 1349 CG PRO A 101 3.406 -2.581 6.082 1.00 0.00 C ATOM 1350 CD PRO A 101 3.836 -4.000 6.299 1.00 0.00 C ATOM 0 HA PRO A 101 5.327 -3.388 3.523 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.071 -1.139 4.650 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.156 -2.465 3.961 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.830 -1.924 6.841 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.322 -2.487 6.149 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.015 -4.210 7.353 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.081 -4.707 5.956 1.00 0.00 H new ATOM 1355 N CYS A 102 7.334 -2.131 3.855 1.00 0.00 N ATOM 1356 CA CYS A 102 8.531 -1.319 3.954 1.00 0.00 C ATOM 1357 C CYS A 102 8.616 -0.370 2.770 1.00 0.00 C ATOM 1358 O CYS A 102 8.453 -0.778 1.621 1.00 0.00 O ATOM 1359 CB CYS A 102 9.777 -2.205 4.021 1.00 0.00 C ATOM 1360 SG CYS A 102 9.712 -3.668 2.930 1.00 0.00 S ATOM 0 H CYS A 102 7.286 -2.706 3.014 1.00 0.00 H new ATOM 0 HA CYS A 102 8.480 -0.732 4.871 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.649 -1.607 3.757 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.918 -2.538 5.049 1.00 0.00 H new ATOM 1364 N ARG A 103 8.824 0.904 3.057 1.00 0.00 N ATOM 1365 CA ARG A 103 8.929 1.905 2.013 1.00 0.00 C ATOM 1366 C ARG A 103 10.349 2.450 1.952 1.00 0.00 C ATOM 1367 O ARG A 103 11.028 2.546 2.973 1.00 0.00 O ATOM 1368 CB ARG A 103 7.930 3.051 2.238 1.00 0.00 C ATOM 1369 CG ARG A 103 8.367 4.089 3.270 1.00 0.00 C ATOM 1370 CD ARG A 103 8.446 3.513 4.678 1.00 0.00 C ATOM 1371 NE ARG A 103 7.177 2.921 5.108 1.00 0.00 N ATOM 1372 CZ ARG A 103 7.066 2.056 6.118 1.00 0.00 C ATOM 1373 NH1 ARG A 103 8.141 1.672 6.794 1.00 0.00 N ATOM 1374 NH2 ARG A 103 5.874 1.569 6.443 1.00 0.00 N ATOM 0 H ARG A 103 8.923 1.268 4.005 1.00 0.00 H new ATOM 0 HA ARG A 103 8.687 1.429 1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 103 7.757 3.555 1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.976 2.626 2.552 1.00 0.00 H new ATOM 0 HG2 ARG A 103 9.341 4.488 2.989 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.666 4.923 3.261 1.00 0.00 H new ATOM 0 HD2 ARG A 103 9.229 2.755 4.715 1.00 0.00 H new ATOM 0 HD3 ARG A 103 8.732 4.301 5.375 1.00 0.00 H new ATOM 0 HE ARG A 103 6.329 3.185 4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.059 2.038 6.543 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.049 1.011 7.565 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.046 1.856 5.921 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.786 0.908 7.215 1.00 0.00 H new ATOM 1385 N ALA A 104 10.791 2.808 0.762 1.00 0.00 N ATOM 1386 CA ALA A 104 12.126 3.354 0.587 1.00 0.00 C ATOM 1387 C ALA A 104 12.054 4.847 0.296 1.00 0.00 C ATOM 1388 O ALA A 104 12.556 5.322 -0.723 1.00 0.00 O ATOM 1389 CB ALA A 104 12.861 2.617 -0.525 1.00 0.00 C ATOM 0 H ALA A 104 10.247 2.731 -0.098 1.00 0.00 H new ATOM 0 HA ALA A 104 12.685 3.214 1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.859 3.039 -0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.941 1.560 -0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 104 12.309 2.724 -1.459 1.00 0.00 H new ATOM 1395 N SER A 105 11.411 5.580 1.197 1.00 0.00 N ATOM 1396 CA SER A 105 11.260 7.011 1.056 1.00 0.00 C ATOM 1397 C SER A 105 10.768 7.605 2.377 1.00 0.00 C ATOM 1398 O SER A 105 11.375 7.390 3.425 1.00 0.00 O ATOM 1399 CB SER A 105 10.281 7.313 -0.087 1.00 0.00 C ATOM 1400 OG SER A 105 10.308 8.683 -0.445 1.00 0.00 O ATOM 0 H SER A 105 10.984 5.195 2.040 1.00 0.00 H new ATOM 0 HA SER A 105 12.220 7.466 0.813 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.534 6.704 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.271 7.034 0.214 1.00 0.00 H new ATOM 0 HG SER A 105 9.396 8.991 -0.629 1.00 0.00 H new ATOM 1405 N ASN A 106 9.652 8.318 2.302 1.00 0.00 N ATOM 1406 CA ASN A 106 9.022 8.975 3.454 1.00 0.00 C ATOM 1407 C ASN A 106 9.919 10.053 4.046 1.00 0.00 C ATOM 1408 O ASN A 106 10.886 9.752 4.746 1.00 0.00 O ATOM 1409 CB ASN A 106 8.628 7.960 4.531 1.00 0.00 C ATOM 1410 CG ASN A 106 7.997 8.611 5.752 1.00 0.00 C ATOM 1411 OD1 ASN A 106 8.675 8.906 6.735 1.00 0.00 O ATOM 1412 ND2 ASN A 106 6.694 8.850 5.692 1.00 0.00 N ATOM 0 H ASN A 106 9.146 8.462 1.428 1.00 0.00 H new ATOM 0 HA ASN A 106 8.114 9.454 3.087 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.928 7.240 4.107 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.512 7.402 4.839 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.220 9.293 6.479 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.166 8.591 4.859 1.00 0.00 H new ATOM 1418 N ALA A 107 9.591 11.305 3.731 1.00 0.00 N ATOM 1419 CA ALA A 107 10.330 12.490 4.202 1.00 0.00 C ATOM 1420 C ALA A 107 11.725 12.593 3.575 1.00 0.00 C ATOM 1421 O ALA A 107 12.235 13.693 3.347 1.00 0.00 O ATOM 1422 CB ALA A 107 10.419 12.511 5.724 1.00 0.00 C ATOM 0 H ALA A 107 8.796 11.535 3.135 1.00 0.00 H new ATOM 0 HA ALA A 107 9.766 13.364 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 107 10.969 13.396 6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 107 9.415 12.536 6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 107 10.937 11.617 6.071 1.00 0.00 H new ATOM 1428 N ASP A 108 12.336 11.445 3.305 1.00 0.00 N ATOM 1429 CA ASP A 108 13.659 11.385 2.695 1.00 0.00 C ATOM 1430 C ASP A 108 13.639 11.998 1.302 1.00 0.00 C ATOM 1431 O ASP A 108 14.649 12.495 0.808 1.00 0.00 O ATOM 1432 CB ASP A 108 14.136 9.933 2.624 1.00 0.00 C ATOM 1433 CG ASP A 108 15.464 9.789 1.909 1.00 0.00 C ATOM 1434 OD1 ASP A 108 16.473 10.332 2.407 1.00 0.00 O ATOM 1435 OD2 ASP A 108 15.503 9.139 0.845 1.00 0.00 O ATOM 0 H ASP A 108 11.929 10.531 3.502 1.00 0.00 H new ATOM 0 HA ASP A 108 14.350 11.959 3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 108 14.227 9.535 3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 108 13.385 9.333 2.111 1.00 0.00 H new ATOM 1439 N HIS A 109 12.471 11.973 0.682 1.00 0.00 N ATOM 1440 CA HIS A 109 12.304 12.528 -0.646 1.00 0.00 C ATOM 1441 C HIS A 109 11.018 13.327 -0.711 1.00 0.00 C ATOM 1442 O HIS A 109 10.080 13.090 0.048 1.00 0.00 O ATOM 1443 CB HIS A 109 12.284 11.418 -1.696 1.00 0.00 C ATOM 1444 CG HIS A 109 12.376 11.891 -3.117 1.00 0.00 C ATOM 1445 ND1 HIS A 109 13.571 12.183 -3.734 1.00 0.00 N ATOM 1446 CD2 HIS A 109 11.415 12.112 -4.046 1.00 0.00 C ATOM 1447 CE1 HIS A 109 13.344 12.568 -4.976 1.00 0.00 C ATOM 1448 NE2 HIS A 109 12.044 12.530 -5.191 1.00 0.00 N ATOM 0 H HIS A 109 11.622 11.572 1.081 1.00 0.00 H new ATOM 0 HA HIS A 109 13.147 13.186 -0.857 1.00 0.00 H new ATOM 0 HB2 HIS A 109 13.113 10.738 -1.500 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.365 10.843 -1.578 1.00 0.00 H new ATOM 0 HD2 HIS A 109 10.351 11.983 -3.910 1.00 0.00 H new ATOM 0 HE1 HIS A 109 14.095 12.864 -5.694 1.00 0.00 H new ATOM 0 HE2 HIS A 109 11.581 12.772 -6.067 1.00 0.00 H new ATOM 1456 N VAL A 110 10.995 14.258 -1.632 1.00 0.00 N ATOM 1457 CA VAL A 110 9.849 15.119 -1.849 1.00 0.00 C ATOM 1458 C VAL A 110 9.235 14.785 -3.195 1.00 0.00 C ATOM 1459 O VAL A 110 9.690 15.255 -4.237 1.00 0.00 O ATOM 1460 CB VAL A 110 10.239 16.614 -1.815 1.00 0.00 C ATOM 1461 CG1 VAL A 110 9.003 17.496 -1.877 1.00 0.00 C ATOM 1462 CG2 VAL A 110 11.062 16.932 -0.574 1.00 0.00 C ATOM 0 H VAL A 110 11.776 14.445 -2.260 1.00 0.00 H new ATOM 0 HA VAL A 110 9.133 14.947 -1.046 1.00 0.00 H new ATOM 0 HB VAL A 110 10.852 16.822 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 110 9.302 18.544 -1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 110 8.459 17.296 -2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 110 8.360 17.282 -1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 110 11.324 17.990 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 110 10.479 16.702 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 110 11.972 16.332 -0.578 1.00 0.00 H new ATOM 1472 N LEU A 111 8.214 13.951 -3.165 1.00 0.00 N ATOM 1473 CA LEU A 111 7.546 13.514 -4.378 1.00 0.00 C ATOM 1474 C LEU A 111 6.519 14.535 -4.865 1.00 0.00 C ATOM 1475 O LEU A 111 5.311 14.353 -4.722 1.00 0.00 O ATOM 1476 CB LEU A 111 6.895 12.140 -4.171 1.00 0.00 C ATOM 1477 CG LEU A 111 5.955 11.998 -2.967 1.00 0.00 C ATOM 1478 CD1 LEU A 111 4.868 10.983 -3.278 1.00 0.00 C ATOM 1479 CD2 LEU A 111 6.733 11.564 -1.725 1.00 0.00 C ATOM 0 H LEU A 111 7.826 13.559 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 111 8.305 13.426 -5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.335 11.890 -5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.688 11.399 -4.073 1.00 0.00 H new ATOM 0 HG LEU A 111 5.497 12.967 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.204 10.887 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.296 11.316 -4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.324 10.017 -3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.049 11.469 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.213 10.603 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 111 7.493 12.310 -1.493 1.00 0.00 H new ATOM 1490 N LYS A 112 7.011 15.619 -5.440 1.00 0.00 N ATOM 1491 CA LYS A 112 6.145 16.660 -5.967 1.00 0.00 C ATOM 1492 C LYS A 112 6.040 16.533 -7.473 1.00 0.00 C ATOM 1493 O LYS A 112 6.882 17.036 -8.216 1.00 0.00 O ATOM 1494 CB LYS A 112 6.660 18.044 -5.592 1.00 0.00 C ATOM 1495 CG LYS A 112 6.481 18.392 -4.125 1.00 0.00 C ATOM 1496 CD LYS A 112 5.064 18.855 -3.794 1.00 0.00 C ATOM 1497 CE LYS A 112 4.053 17.719 -3.822 1.00 0.00 C ATOM 1498 NZ LYS A 112 2.688 18.190 -3.478 1.00 0.00 N ATOM 0 H LYS A 112 8.008 15.801 -5.554 1.00 0.00 H new ATOM 0 HA LYS A 112 5.156 16.536 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.719 18.107 -5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.144 18.789 -6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.724 17.520 -3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.187 19.177 -3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.058 19.316 -2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 112 4.761 19.623 -4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.042 17.266 -4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.358 16.943 -3.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.001 17.433 -3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.652 18.443 -2.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.454 19.025 -4.053 1.00 0.00 H new ATOM 1508 N SER A 113 5.002 15.855 -7.906 1.00 0.00 N ATOM 1509 CA SER A 113 4.757 15.635 -9.323 1.00 0.00 C ATOM 1510 C SER A 113 4.053 16.841 -9.942 1.00 0.00 C ATOM 1511 O SER A 113 2.924 16.745 -10.428 1.00 0.00 O ATOM 1512 CB SER A 113 3.924 14.367 -9.508 1.00 0.00 C ATOM 1513 OG SER A 113 2.780 14.391 -8.669 1.00 0.00 O ATOM 0 H SER A 113 4.302 15.439 -7.292 1.00 0.00 H new ATOM 0 HA SER A 113 5.712 15.508 -9.833 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.615 14.278 -10.550 1.00 0.00 H new ATOM 0 HB3 SER A 113 4.531 13.491 -9.279 1.00 0.00 H new ATOM 0 HG SER A 113 2.244 15.186 -8.870 1.00 0.00 H new ATOM 1518 N SER A 114 4.727 17.981 -9.904 1.00 0.00 N ATOM 1519 CA SER A 114 4.184 19.210 -10.446 1.00 0.00 C ATOM 1520 C SER A 114 5.309 20.181 -10.776 1.00 0.00 C ATOM 1521 O SER A 114 5.791 20.911 -9.908 1.00 0.00 O ATOM 1522 CB SER A 114 3.208 19.846 -9.450 1.00 0.00 C ATOM 1523 OG SER A 114 2.490 20.918 -10.040 1.00 0.00 O ATOM 0 H SER A 114 5.658 18.077 -9.499 1.00 0.00 H new ATOM 0 HA SER A 114 3.642 18.978 -11.363 1.00 0.00 H new ATOM 0 HB2 SER A 114 2.508 19.091 -9.092 1.00 0.00 H new ATOM 0 HB3 SER A 114 3.757 20.209 -8.581 1.00 0.00 H new ATOM 0 HG SER A 114 1.875 21.302 -9.381 1.00 0.00 H new ATOM 1528 N SER A 115 5.744 20.167 -12.024 1.00 0.00 N ATOM 1529 CA SER A 115 6.804 21.052 -12.468 1.00 0.00 C ATOM 1530 C SER A 115 6.279 22.475 -12.554 1.00 0.00 C ATOM 1531 O SER A 115 6.853 23.403 -11.979 1.00 0.00 O ATOM 1532 CB SER A 115 7.315 20.611 -13.834 1.00 0.00 C ATOM 1533 OG SER A 115 7.668 19.239 -13.831 1.00 0.00 O ATOM 0 H SER A 115 5.377 19.550 -12.749 1.00 0.00 H new ATOM 0 HA SER A 115 7.624 21.011 -11.752 1.00 0.00 H new ATOM 0 HB2 SER A 115 6.548 20.790 -14.587 1.00 0.00 H new ATOM 0 HB3 SER A 115 8.181 21.211 -14.112 1.00 0.00 H new ATOM 0 HG SER A 115 7.991 18.982 -14.720 1.00 0.00 H new ATOM 1538 N GLU A 116 5.181 22.635 -13.277 1.00 0.00 N ATOM 1539 CA GLU A 116 4.557 23.931 -13.449 1.00 0.00 C ATOM 1540 C GLU A 116 3.041 23.796 -13.357 1.00 0.00 C ATOM 1541 O GLU A 116 2.532 23.497 -12.259 1.00 0.00 O ATOM 1542 CB GLU A 116 4.946 24.542 -14.800 1.00 0.00 C ATOM 1543 CG GLU A 116 6.430 24.827 -14.954 1.00 0.00 C ATOM 1544 CD GLU A 116 6.771 25.418 -16.305 1.00 0.00 C ATOM 1545 OE1 GLU A 116 6.828 24.657 -17.291 1.00 0.00 O ATOM 1546 OE2 GLU A 116 6.991 26.646 -16.389 1.00 0.00 O ATOM 0 H GLU A 116 4.702 21.873 -13.757 1.00 0.00 H new ATOM 0 HA GLU A 116 4.907 24.591 -12.656 1.00 0.00 H new ATOM 0 HB2 GLU A 116 4.634 23.865 -15.595 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.393 25.471 -14.938 1.00 0.00 H new ATOM 0 HG2 GLU A 116 6.748 25.514 -14.170 1.00 0.00 H new ATOM 0 HG3 GLU A 116 6.990 23.903 -14.814 1.00 0.00 H new TER 1551 GLU A 116