USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 760 hydrogens (30 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 73 MET CE :methyl 162:sc= -0.0173 (180deg=-0.134) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 68 GLN : amide:sc= -2.67! C(o=-2.2!,f=-3.5!) USER MOD Set 2.2: A 69 GLN : amide:sc= 0.516 K(o=-2.2,f=-4) USER MOD Set 3.1: A 59 TYR OH : rot -2:sc= 1.74 USER MOD Set 3.2: A 63 LYS NZ :NH3+ 139:sc= 1.11 (180deg=-0.0939) USER MOD Set 4.1: A 43 GLN : amide:sc= -0.127 X(o=0.12,f=-0.11) USER MOD Set 4.2: A 55 TYR OH : rot 165:sc= 0.252 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.766 K(o=-0.77,f=-2.3) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0575 X(o=-0.057,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 94:sc= 0.0821 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -165:sc= -0.045 (180deg=-0.375) USER MOD Single : A 54 HIS : no HD1:sc= -0.0174 X(o=-0.017,f=-0.19) USER MOD Single : A 58 GLN : amide:sc= 0.189 K(o=0.19,f=-0.47) USER MOD Single : A 61 MET CE :methyl 177:sc= 0 (180deg=-0.013) USER MOD Single : A 64 GLN : amide:sc= 0.274 X(o=0.27,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.445 K(o=0.45,f=-3.7!) USER MOD Single : A 72 HIS : no HD1:sc= -0.0111 K(o=-0.011,f=-2.3!) USER MOD Single : A 76 CYS SG : rot 127:sc= 0.159 USER MOD Single : A 88 GLN : amide:sc= 0.834 K(o=0.83,f=-4.2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -160:sc= 0.264 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= -0.0422 USER MOD Single : A 99 TYR OH : rot -77:sc= 0.0403 USER MOD Single : A 101 MET CE :methyl -176:sc= 0 (180deg=-0.0149) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.3 X(o=0.3,f=-0.00094) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 13.879 5.137 11.834 1.00 0.00 N ATOM 2 CA GLN A 23 14.041 4.661 10.457 1.00 0.00 C ATOM 3 C GLN A 23 12.746 4.059 9.870 1.00 0.00 C ATOM 4 O GLN A 23 11.890 3.557 10.606 1.00 0.00 O ATOM 5 CB GLN A 23 15.233 3.686 10.370 1.00 0.00 C ATOM 6 CG GLN A 23 15.056 2.392 11.185 1.00 0.00 C ATOM 7 CD GLN A 23 16.306 1.515 11.134 1.00 0.00 C ATOM 8 OE1 GLN A 23 17.139 1.514 12.034 1.00 0.00 O ATOM 9 NE2 GLN A 23 16.503 0.742 10.084 1.00 0.00 N ATOM 0 HA GLN A 23 14.260 5.527 9.833 1.00 0.00 H new ATOM 0 HB2 GLN A 23 15.396 3.423 9.325 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.132 4.198 10.714 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.830 2.643 12.221 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.204 1.833 10.799 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.821 0.729 9.325 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.337 0.157 10.031 1.00 0.00 H new ATOM 18 N ILE A 24 12.609 4.106 8.539 1.00 0.00 N ATOM 19 CA ILE A 24 11.427 3.686 7.776 1.00 0.00 C ATOM 20 C ILE A 24 11.805 2.923 6.500 1.00 0.00 C ATOM 21 O ILE A 24 12.947 2.952 6.043 1.00 0.00 O ATOM 22 CB ILE A 24 10.550 4.909 7.422 1.00 0.00 C ATOM 23 CG1 ILE A 24 11.360 6.097 6.834 1.00 0.00 C ATOM 24 CG2 ILE A 24 9.692 5.325 8.623 1.00 0.00 C ATOM 25 CD1 ILE A 24 10.526 7.323 6.440 1.00 0.00 C ATOM 0 H ILE A 24 13.355 4.454 7.936 1.00 0.00 H new ATOM 0 HA ILE A 24 10.859 3.006 8.411 1.00 0.00 H new ATOM 0 HB ILE A 24 9.880 4.599 6.620 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.106 6.405 7.566 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.901 5.747 5.955 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.082 6.187 8.353 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.043 4.498 8.911 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.340 5.586 9.460 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.182 8.096 6.041 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.797 7.039 5.681 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.006 7.706 7.318 1.00 0.00 H new ATOM 37 N ASN A 25 10.809 2.275 5.889 1.00 0.00 N ATOM 38 CA ASN A 25 10.956 1.369 4.743 1.00 0.00 C ATOM 39 C ASN A 25 11.044 2.090 3.377 1.00 0.00 C ATOM 40 O ASN A 25 10.525 1.618 2.367 1.00 0.00 O ATOM 41 CB ASN A 25 9.820 0.332 4.808 1.00 0.00 C ATOM 42 CG ASN A 25 9.642 -0.299 6.183 1.00 0.00 C ATOM 43 OD1 ASN A 25 8.615 -0.147 6.831 1.00 0.00 O ATOM 44 ND2 ASN A 25 10.640 -0.978 6.705 1.00 0.00 N ATOM 0 H ASN A 25 9.839 2.370 6.190 1.00 0.00 H new ATOM 0 HA ASN A 25 11.919 0.864 4.817 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.886 0.811 4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.017 -0.455 4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.554 -1.372 7.642 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.500 -1.110 6.173 1.00 0.00 H new ATOM 51 N GLN A 26 11.686 3.257 3.377 1.00 0.00 N ATOM 52 CA GLN A 26 11.710 4.285 2.324 1.00 0.00 C ATOM 53 C GLN A 26 13.128 4.682 1.881 1.00 0.00 C ATOM 54 O GLN A 26 14.130 4.106 2.313 1.00 0.00 O ATOM 55 CB GLN A 26 10.907 5.518 2.803 1.00 0.00 C ATOM 56 CG GLN A 26 9.621 5.205 3.591 1.00 0.00 C ATOM 57 CD GLN A 26 8.680 4.227 2.890 1.00 0.00 C ATOM 58 OE1 GLN A 26 8.647 4.107 1.674 1.00 0.00 O ATOM 59 NE2 GLN A 26 7.903 3.467 3.634 1.00 0.00 N ATOM 0 H GLN A 26 12.252 3.536 4.178 1.00 0.00 H new ATOM 0 HA GLN A 26 11.244 3.856 1.437 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.555 6.132 3.428 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.642 6.118 1.933 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.895 4.795 4.563 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.086 6.136 3.777 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.922 3.558 4.650 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.282 2.787 3.194 1.00 0.00 H new ATOM 68 N VAL A 27 13.192 5.677 0.992 1.00 0.00 N ATOM 69 CA VAL A 27 14.423 6.213 0.385 1.00 0.00 C ATOM 70 C VAL A 27 14.933 7.393 1.228 1.00 0.00 C ATOM 71 O VAL A 27 14.321 7.739 2.238 1.00 0.00 O ATOM 72 CB VAL A 27 14.187 6.596 -1.100 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.480 6.844 -1.895 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.398 5.495 -1.830 1.00 0.00 C ATOM 0 H VAL A 27 12.354 6.154 0.659 1.00 0.00 H new ATOM 0 HA VAL A 27 15.197 5.445 0.381 1.00 0.00 H new ATOM 0 HB VAL A 27 13.627 7.530 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.230 7.107 -2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 27 16.038 7.661 -1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 27 16.090 5.940 -1.889 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.245 5.786 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.958 4.561 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.431 5.358 -1.345 1.00 0.00 H new ATOM 84 N ARG A 28 16.130 7.891 0.895 1.00 0.00 N ATOM 85 CA ARG A 28 16.857 9.061 1.442 1.00 0.00 C ATOM 86 C ARG A 28 17.984 9.411 0.435 1.00 0.00 C ATOM 87 O ARG A 28 18.684 8.492 0.005 1.00 0.00 O ATOM 88 CB ARG A 28 17.425 8.656 2.829 1.00 0.00 C ATOM 89 CG ARG A 28 18.037 9.720 3.758 1.00 0.00 C ATOM 90 CD ARG A 28 19.265 10.477 3.247 1.00 0.00 C ATOM 91 NE ARG A 28 19.983 11.135 4.358 1.00 0.00 N ATOM 92 CZ ARG A 28 21.072 11.881 4.276 1.00 0.00 C ATOM 93 NH1 ARG A 28 21.641 12.176 3.141 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.620 12.356 5.358 1.00 0.00 N ATOM 0 H ARG A 28 16.677 7.443 0.160 1.00 0.00 H new ATOM 0 HA ARG A 28 16.219 9.935 1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.618 8.172 3.380 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.191 7.900 2.656 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.262 10.451 3.989 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.307 9.234 4.696 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.935 9.786 2.735 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.957 11.224 2.515 1.00 0.00 H new ATOM 0 HE ARG A 28 19.596 10.999 5.292 1.00 0.00 H new ATOM 0 HH11 ARG A 28 21.247 11.828 2.267 1.00 0.00 H new ATOM 0 HH12 ARG A 28 22.480 12.755 3.127 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.209 12.153 6.269 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.460 12.931 5.294 1.00 0.00 H new ATOM 108 N PRO A 29 18.169 10.683 0.027 1.00 0.00 N ATOM 109 CA PRO A 29 19.052 11.044 -1.091 1.00 0.00 C ATOM 110 C PRO A 29 20.469 11.487 -0.697 1.00 0.00 C ATOM 111 O PRO A 29 20.786 11.693 0.477 1.00 0.00 O ATOM 112 CB PRO A 29 18.315 12.211 -1.763 1.00 0.00 C ATOM 113 CG PRO A 29 17.763 12.966 -0.559 1.00 0.00 C ATOM 114 CD PRO A 29 17.348 11.834 0.383 1.00 0.00 C ATOM 0 HA PRO A 29 19.224 10.171 -1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 29 18.986 12.828 -2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.523 11.866 -2.428 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.514 13.614 -0.108 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.918 13.598 -0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.506 12.117 1.424 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.288 11.605 0.272 1.00 0.00 H new ATOM 122 N LYS A 30 21.287 11.693 -1.736 1.00 0.00 N ATOM 123 CA LYS A 30 22.601 12.362 -1.723 1.00 0.00 C ATOM 124 C LYS A 30 22.388 13.811 -2.198 1.00 0.00 C ATOM 125 O LYS A 30 21.384 14.087 -2.854 1.00 0.00 O ATOM 126 CB LYS A 30 23.562 11.543 -2.611 1.00 0.00 C ATOM 127 CG LYS A 30 25.039 11.946 -2.476 1.00 0.00 C ATOM 128 CD LYS A 30 25.923 11.067 -3.372 1.00 0.00 C ATOM 129 CE LYS A 30 27.400 11.452 -3.209 1.00 0.00 C ATOM 130 NZ LYS A 30 28.287 10.600 -4.048 1.00 0.00 N ATOM 0 H LYS A 30 21.035 11.377 -2.673 1.00 0.00 H new ATOM 0 HA LYS A 30 23.053 12.410 -0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.460 10.487 -2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.260 11.654 -3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.162 12.994 -2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.355 11.849 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 30 25.784 10.017 -3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 30 25.624 11.181 -4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 30 27.536 12.498 -3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 30 27.688 11.356 -2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.277 10.889 -3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 28.176 9.604 -3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 28.029 10.711 -5.049 1.00 0.00 H new ATOM 144 N LEU A 31 23.301 14.742 -1.919 1.00 0.00 N ATOM 145 CA LEU A 31 23.086 16.185 -2.169 1.00 0.00 C ATOM 146 C LEU A 31 22.659 16.561 -3.613 1.00 0.00 C ATOM 147 O LEU A 31 21.758 17.392 -3.743 1.00 0.00 O ATOM 148 CB LEU A 31 24.317 16.995 -1.699 1.00 0.00 C ATOM 149 CG LEU A 31 24.650 16.889 -0.196 1.00 0.00 C ATOM 150 CD1 LEU A 31 25.897 17.720 0.111 1.00 0.00 C ATOM 151 CD2 LEU A 31 23.514 17.386 0.701 1.00 0.00 C ATOM 0 H LEU A 31 24.212 14.527 -1.514 1.00 0.00 H new ATOM 0 HA LEU A 31 22.216 16.458 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.186 16.666 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 31 24.154 18.045 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 31 24.811 15.832 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 31 26.132 17.645 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.737 17.345 -0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.712 18.763 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.806 17.287 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 31 23.307 18.433 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 31 22.619 16.792 0.517 1.00 0.00 H new ATOM 163 N PRO A 32 23.178 15.943 -4.699 1.00 0.00 N ATOM 164 CA PRO A 32 22.707 16.229 -6.065 1.00 0.00 C ATOM 165 C PRO A 32 21.280 15.729 -6.341 1.00 0.00 C ATOM 166 O PRO A 32 20.526 16.371 -7.072 1.00 0.00 O ATOM 167 CB PRO A 32 23.723 15.558 -7.002 1.00 0.00 C ATOM 168 CG PRO A 32 24.974 15.410 -6.139 1.00 0.00 C ATOM 169 CD PRO A 32 24.379 15.121 -4.766 1.00 0.00 C ATOM 0 HA PRO A 32 22.648 17.306 -6.220 1.00 0.00 H new ATOM 0 HB2 PRO A 32 23.364 14.591 -7.355 1.00 0.00 H new ATOM 0 HB3 PRO A 32 23.916 16.168 -7.885 1.00 0.00 H new ATOM 0 HG2 PRO A 32 25.615 14.599 -6.485 1.00 0.00 H new ATOM 0 HG3 PRO A 32 25.579 16.317 -6.139 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.141 14.063 -4.653 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.078 15.377 -3.970 1.00 0.00 H new ATOM 177 N LEU A 33 20.882 14.613 -5.716 1.00 0.00 N ATOM 178 CA LEU A 33 19.527 14.048 -5.815 1.00 0.00 C ATOM 179 C LEU A 33 18.528 14.862 -4.980 1.00 0.00 C ATOM 180 O LEU A 33 17.406 15.110 -5.425 1.00 0.00 O ATOM 181 CB LEU A 33 19.548 12.568 -5.379 1.00 0.00 C ATOM 182 CG LEU A 33 19.949 11.572 -6.482 1.00 0.00 C ATOM 183 CD1 LEU A 33 21.357 11.801 -7.038 1.00 0.00 C ATOM 184 CD2 LEU A 33 19.896 10.147 -5.930 1.00 0.00 C ATOM 0 H LEU A 33 21.502 14.067 -5.117 1.00 0.00 H new ATOM 0 HA LEU A 33 19.197 14.100 -6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.240 12.460 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.558 12.299 -5.010 1.00 0.00 H new ATOM 0 HG LEU A 33 19.239 11.726 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 33 21.568 11.061 -7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 33 21.421 12.801 -7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 33 22.086 11.704 -6.234 1.00 0.00 H new ATOM 0 HD21 LEU A 33 20.180 9.443 -6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 33 20.586 10.056 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.884 9.925 -5.592 1.00 0.00 H new ATOM 196 N LEU A 34 18.956 15.352 -3.806 1.00 0.00 N ATOM 197 CA LEU A 34 18.178 16.290 -2.989 1.00 0.00 C ATOM 198 C LEU A 34 17.909 17.587 -3.755 1.00 0.00 C ATOM 199 O LEU A 34 16.788 18.076 -3.701 1.00 0.00 O ATOM 200 CB LEU A 34 18.898 16.515 -1.638 1.00 0.00 C ATOM 201 CG LEU A 34 18.212 17.465 -0.616 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.573 17.035 0.807 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.700 18.908 -0.772 1.00 0.00 C ATOM 0 H LEU A 34 19.857 15.106 -3.397 1.00 0.00 H new ATOM 0 HA LEU A 34 17.198 15.867 -2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.031 15.544 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.894 16.906 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 34 17.139 17.411 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.091 17.702 1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.231 16.014 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 34 19.654 17.082 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.199 19.543 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.777 18.948 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.472 19.262 -1.777 1.00 0.00 H new ATOM 215 N LYS A 35 18.884 18.110 -4.513 1.00 0.00 N ATOM 216 CA LYS A 35 18.808 19.417 -5.197 1.00 0.00 C ATOM 217 C LYS A 35 17.570 19.564 -6.090 1.00 0.00 C ATOM 218 O LYS A 35 16.888 20.586 -6.055 1.00 0.00 O ATOM 219 CB LYS A 35 20.098 19.616 -6.029 1.00 0.00 C ATOM 220 CG LYS A 35 20.593 21.068 -5.991 1.00 0.00 C ATOM 221 CD LYS A 35 21.310 21.411 -4.673 1.00 0.00 C ATOM 222 CE LYS A 35 22.730 20.825 -4.619 1.00 0.00 C ATOM 223 NZ LYS A 35 23.487 21.336 -3.442 1.00 0.00 N ATOM 0 H LYS A 35 19.769 17.628 -4.673 1.00 0.00 H new ATOM 0 HA LYS A 35 18.718 20.187 -4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.879 18.957 -5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.911 19.325 -7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.273 21.239 -6.826 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.746 21.741 -6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.360 22.494 -4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.728 21.029 -3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.674 19.737 -4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 35 23.264 21.078 -5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.441 20.921 -3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.561 22.372 -3.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.989 21.072 -2.568 1.00 0.00 H new ATOM 237 N ILE A 36 17.258 18.502 -6.833 1.00 0.00 N ATOM 238 CA ILE A 36 16.137 18.422 -7.785 1.00 0.00 C ATOM 239 C ILE A 36 14.803 18.549 -7.035 1.00 0.00 C ATOM 240 O ILE A 36 13.981 19.399 -7.359 1.00 0.00 O ATOM 241 CB ILE A 36 16.235 17.098 -8.581 1.00 0.00 C ATOM 242 CG1 ILE A 36 17.579 17.013 -9.345 1.00 0.00 C ATOM 243 CG2 ILE A 36 15.069 16.930 -9.572 1.00 0.00 C ATOM 244 CD1 ILE A 36 17.929 15.591 -9.781 1.00 0.00 C ATOM 0 H ILE A 36 17.797 17.637 -6.791 1.00 0.00 H new ATOM 0 HA ILE A 36 16.188 19.246 -8.497 1.00 0.00 H new ATOM 0 HB ILE A 36 16.180 16.289 -7.852 1.00 0.00 H new ATOM 0 HG12 ILE A 36 17.532 17.656 -10.224 1.00 0.00 H new ATOM 0 HG13 ILE A 36 18.377 17.399 -8.710 1.00 0.00 H new ATOM 0 HG21 ILE A 36 15.180 15.987 -10.108 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.125 16.929 -9.027 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.075 17.755 -10.284 1.00 0.00 H new ATOM 0 HD11 ILE A 36 18.881 15.597 -10.311 1.00 0.00 H new ATOM 0 HD12 ILE A 36 18.007 14.950 -8.903 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.149 15.210 -10.440 1.00 0.00 H new ATOM 256 N LEU A 37 14.617 17.764 -5.970 1.00 0.00 N ATOM 257 CA LEU A 37 13.412 17.817 -5.132 1.00 0.00 C ATOM 258 C LEU A 37 13.340 19.142 -4.342 1.00 0.00 C ATOM 259 O LEU A 37 12.270 19.732 -4.197 1.00 0.00 O ATOM 260 CB LEU A 37 13.400 16.564 -4.224 1.00 0.00 C ATOM 261 CG LEU A 37 12.881 15.247 -4.851 1.00 0.00 C ATOM 262 CD1 LEU A 37 11.358 15.204 -4.814 1.00 0.00 C ATOM 263 CD2 LEU A 37 13.298 14.945 -6.287 1.00 0.00 C ATOM 0 H LEU A 37 15.299 17.071 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 37 12.514 17.803 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.416 16.393 -3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.790 16.786 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 37 13.356 14.488 -4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.009 14.272 -5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.017 15.263 -3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.956 16.047 -5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.865 13.995 -6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.942 15.739 -6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.385 14.885 -6.345 1.00 0.00 H new ATOM 275 N HIS A 38 14.478 19.658 -3.867 1.00 0.00 N ATOM 276 CA HIS A 38 14.558 20.867 -3.034 1.00 0.00 C ATOM 277 C HIS A 38 14.263 22.158 -3.805 1.00 0.00 C ATOM 278 O HIS A 38 13.654 23.074 -3.251 1.00 0.00 O ATOM 279 CB HIS A 38 15.928 20.924 -2.343 1.00 0.00 C ATOM 280 CG HIS A 38 15.856 21.543 -0.976 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.415 22.757 -0.571 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.215 20.966 0.078 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.086 22.888 0.728 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.366 21.828 1.142 1.00 0.00 N ATOM 0 H HIS A 38 15.389 19.240 -4.053 1.00 0.00 H new ATOM 0 HA HIS A 38 13.773 20.797 -2.281 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.332 19.915 -2.261 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.620 21.496 -2.961 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.692 20.021 0.079 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.361 23.726 1.351 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.996 21.687 2.082 1.00 0.00 H new ATOM 292 N ALA A 39 14.582 22.200 -5.105 1.00 0.00 N ATOM 293 CA ALA A 39 14.161 23.278 -6.008 1.00 0.00 C ATOM 294 C ALA A 39 12.624 23.437 -6.079 1.00 0.00 C ATOM 295 O ALA A 39 12.129 24.521 -6.396 1.00 0.00 O ATOM 296 CB ALA A 39 14.734 22.989 -7.400 1.00 0.00 C ATOM 0 H ALA A 39 15.143 21.482 -5.563 1.00 0.00 H new ATOM 0 HA ALA A 39 14.544 24.221 -5.618 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.433 23.779 -8.088 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.822 22.951 -7.345 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.355 22.032 -7.758 1.00 0.00 H new ATOM 302 N ALA A 40 11.875 22.376 -5.745 1.00 0.00 N ATOM 303 CA ALA A 40 10.418 22.358 -5.622 1.00 0.00 C ATOM 304 C ALA A 40 9.921 22.307 -4.156 1.00 0.00 C ATOM 305 O ALA A 40 8.820 21.821 -3.887 1.00 0.00 O ATOM 306 CB ALA A 40 9.882 21.221 -6.493 1.00 0.00 C ATOM 0 H ALA A 40 12.292 21.467 -5.545 1.00 0.00 H new ATOM 0 HA ALA A 40 10.016 23.304 -5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.795 21.187 -6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.169 21.391 -7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.299 20.274 -6.152 1.00 0.00 H new ATOM 312 N GLY A 41 10.724 22.791 -3.199 1.00 0.00 N ATOM 313 CA GLY A 41 10.313 23.004 -1.803 1.00 0.00 C ATOM 314 C GLY A 41 10.173 21.737 -0.945 1.00 0.00 C ATOM 315 O GLY A 41 9.517 21.782 0.099 1.00 0.00 O ATOM 0 H GLY A 41 11.695 23.050 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.039 23.663 -1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.357 23.528 -1.802 1.00 0.00 H new ATOM 319 N ALA A 42 10.752 20.612 -1.379 1.00 0.00 N ATOM 320 CA ALA A 42 10.711 19.328 -0.684 1.00 0.00 C ATOM 321 C ALA A 42 11.724 19.243 0.488 1.00 0.00 C ATOM 322 O ALA A 42 12.281 20.246 0.938 1.00 0.00 O ATOM 323 CB ALA A 42 11.038 18.267 -1.737 1.00 0.00 C ATOM 0 H ALA A 42 11.278 20.573 -2.252 1.00 0.00 H new ATOM 0 HA ALA A 42 9.728 19.184 -0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.023 17.280 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.297 18.306 -2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.028 18.459 -2.151 1.00 0.00 H new ATOM 329 N GLN A 43 12.033 18.011 0.921 1.00 0.00 N ATOM 330 CA GLN A 43 13.123 17.667 1.857 1.00 0.00 C ATOM 331 C GLN A 43 13.944 16.475 1.325 1.00 0.00 C ATOM 332 O GLN A 43 14.179 15.477 2.010 1.00 0.00 O ATOM 333 CB GLN A 43 12.599 17.427 3.293 1.00 0.00 C ATOM 334 CG GLN A 43 11.575 18.431 3.860 1.00 0.00 C ATOM 335 CD GLN A 43 10.154 18.232 3.318 1.00 0.00 C ATOM 336 OE1 GLN A 43 9.570 19.100 2.683 1.00 0.00 O ATOM 337 NE2 GLN A 43 9.537 17.088 3.538 1.00 0.00 N ATOM 0 H GLN A 43 11.510 17.190 0.617 1.00 0.00 H new ATOM 0 HA GLN A 43 13.794 18.524 1.919 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.148 16.435 3.324 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.457 17.408 3.964 1.00 0.00 H new ATOM 0 HG2 GLN A 43 11.556 18.343 4.946 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.905 19.444 3.628 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.004 16.350 4.065 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.593 16.941 3.181 1.00 0.00 H new ATOM 346 N GLY A 44 14.341 16.555 0.052 1.00 0.00 N ATOM 347 CA GLY A 44 15.048 15.497 -0.651 1.00 0.00 C ATOM 348 C GLY A 44 14.139 14.327 -1.021 1.00 0.00 C ATOM 349 O GLY A 44 13.198 14.496 -1.781 1.00 0.00 O ATOM 0 H GLY A 44 14.173 17.379 -0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.496 15.905 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.865 15.134 -0.027 1.00 0.00 H new ATOM 353 N GLU A 45 14.453 13.136 -0.513 1.00 0.00 N ATOM 354 CA GLU A 45 13.771 11.862 -0.810 1.00 0.00 C ATOM 355 C GLU A 45 13.635 10.964 0.425 1.00 0.00 C ATOM 356 O GLU A 45 13.464 9.760 0.288 1.00 0.00 O ATOM 357 CB GLU A 45 14.438 11.110 -1.984 1.00 0.00 C ATOM 358 CG GLU A 45 14.490 11.899 -3.295 1.00 0.00 C ATOM 359 CD GLU A 45 14.930 10.985 -4.454 1.00 0.00 C ATOM 360 OE1 GLU A 45 16.149 10.720 -4.590 1.00 0.00 O ATOM 361 OE2 GLU A 45 14.056 10.526 -5.227 1.00 0.00 O ATOM 0 H GLU A 45 15.222 13.020 0.146 1.00 0.00 H new ATOM 0 HA GLU A 45 12.760 12.124 -1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.454 10.841 -1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.898 10.179 -2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.510 12.324 -3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.185 12.733 -3.198 1.00 0.00 H new ATOM 368 N MET A 46 13.745 11.528 1.635 1.00 0.00 N ATOM 369 CA MET A 46 13.721 10.797 2.918 1.00 0.00 C ATOM 370 C MET A 46 12.294 10.384 3.345 1.00 0.00 C ATOM 371 O MET A 46 11.838 10.639 4.461 1.00 0.00 O ATOM 372 CB MET A 46 14.557 11.564 3.941 1.00 0.00 C ATOM 373 CG MET A 46 14.800 10.816 5.261 1.00 0.00 C ATOM 374 SD MET A 46 15.987 11.639 6.360 1.00 0.00 S ATOM 375 CE MET A 46 16.002 10.448 7.728 1.00 0.00 C ATOM 0 H MET A 46 13.857 12.535 1.757 1.00 0.00 H new ATOM 0 HA MET A 46 14.201 9.824 2.815 1.00 0.00 H new ATOM 0 HB2 MET A 46 15.521 11.807 3.494 1.00 0.00 H new ATOM 0 HB3 MET A 46 14.060 12.509 4.161 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.851 10.704 5.785 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.161 9.812 5.038 1.00 0.00 H new ATOM 0 HE1 MET A 46 16.685 10.794 8.504 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.998 10.357 8.142 1.00 0.00 H new ATOM 0 HE3 MET A 46 16.332 9.476 7.361 1.00 0.00 H new ATOM 385 N PHE A 47 11.562 9.808 2.390 1.00 0.00 N ATOM 386 CA PHE A 47 10.120 9.512 2.452 1.00 0.00 C ATOM 387 C PHE A 47 9.636 8.597 1.300 1.00 0.00 C ATOM 388 O PHE A 47 10.397 8.228 0.405 1.00 0.00 O ATOM 389 CB PHE A 47 9.335 10.839 2.511 1.00 0.00 C ATOM 390 CG PHE A 47 9.852 11.943 1.612 1.00 0.00 C ATOM 391 CD1 PHE A 47 9.773 11.805 0.218 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.432 13.099 2.169 1.00 0.00 C ATOM 393 CE1 PHE A 47 10.212 12.845 -0.613 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.896 14.126 1.332 1.00 0.00 C ATOM 395 CZ PHE A 47 10.762 14.009 -0.057 1.00 0.00 C ATOM 0 H PHE A 47 11.976 9.518 1.504 1.00 0.00 H new ATOM 0 HA PHE A 47 9.929 8.941 3.360 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.296 10.638 2.250 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.341 11.199 3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.375 10.899 -0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.520 13.196 3.241 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.126 12.749 -1.685 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.356 15.005 1.759 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.082 14.815 -0.700 1.00 0.00 H new ATOM 405 N THR A 48 8.361 8.196 1.361 1.00 0.00 N ATOM 406 CA THR A 48 7.683 7.196 0.506 1.00 0.00 C ATOM 407 C THR A 48 7.582 7.607 -0.976 1.00 0.00 C ATOM 408 O THR A 48 7.692 8.782 -1.335 1.00 0.00 O ATOM 409 CB THR A 48 6.256 6.925 1.062 1.00 0.00 C ATOM 410 OG1 THR A 48 6.208 7.168 2.457 1.00 0.00 O ATOM 411 CG2 THR A 48 5.719 5.504 0.867 1.00 0.00 C ATOM 0 H THR A 48 7.724 8.585 2.056 1.00 0.00 H new ATOM 0 HA THR A 48 8.298 6.296 0.537 1.00 0.00 H new ATOM 0 HB THR A 48 5.634 7.604 0.479 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.907 8.086 2.619 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.718 5.432 1.293 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.678 5.274 -0.198 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.378 4.794 1.367 1.00 0.00 H new ATOM 419 N VAL A 49 7.269 6.633 -1.844 1.00 0.00 N ATOM 420 CA VAL A 49 7.123 6.787 -3.315 1.00 0.00 C ATOM 421 C VAL A 49 6.088 7.863 -3.678 1.00 0.00 C ATOM 422 O VAL A 49 6.331 8.725 -4.525 1.00 0.00 O ATOM 423 CB VAL A 49 6.755 5.429 -3.962 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.440 5.529 -5.458 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.897 4.421 -3.784 1.00 0.00 C ATOM 0 H VAL A 49 7.102 5.675 -1.537 1.00 0.00 H new ATOM 0 HA VAL A 49 8.083 7.118 -3.711 1.00 0.00 H new ATOM 0 HB VAL A 49 5.853 5.098 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.191 4.541 -5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.595 6.201 -5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.310 5.917 -5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.620 3.473 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.799 4.806 -4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.084 4.267 -2.721 1.00 0.00 H new ATOM 435 N LYS A 50 4.957 7.875 -2.964 1.00 0.00 N ATOM 436 CA LYS A 50 3.907 8.891 -3.142 1.00 0.00 C ATOM 437 C LYS A 50 4.354 10.309 -2.772 1.00 0.00 C ATOM 438 O LYS A 50 3.897 11.267 -3.387 1.00 0.00 O ATOM 439 CB LYS A 50 2.620 8.467 -2.409 1.00 0.00 C ATOM 440 CG LYS A 50 2.799 8.331 -0.887 1.00 0.00 C ATOM 441 CD LYS A 50 1.501 7.913 -0.187 1.00 0.00 C ATOM 442 CE LYS A 50 1.771 7.743 1.315 1.00 0.00 C ATOM 443 NZ LYS A 50 0.531 7.386 2.059 1.00 0.00 N ATOM 0 H LYS A 50 4.741 7.183 -2.247 1.00 0.00 H new ATOM 0 HA LYS A 50 3.691 8.942 -4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.838 9.199 -2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.278 7.514 -2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.576 7.595 -0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.142 9.281 -0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.729 8.665 -0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.130 6.980 -0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.522 6.967 1.465 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.184 8.668 1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.751 7.279 3.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.176 8.139 1.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.151 6.491 1.691 1.00 0.00 H new ATOM 457 N GLU A 51 5.280 10.444 -1.821 1.00 0.00 N ATOM 458 CA GLU A 51 5.816 11.740 -1.396 1.00 0.00 C ATOM 459 C GLU A 51 6.872 12.250 -2.388 1.00 0.00 C ATOM 460 O GLU A 51 6.733 13.370 -2.873 1.00 0.00 O ATOM 461 CB GLU A 51 6.356 11.656 0.044 1.00 0.00 C ATOM 462 CG GLU A 51 5.302 11.286 1.097 1.00 0.00 C ATOM 463 CD GLU A 51 4.173 12.332 1.195 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.331 13.334 1.934 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.110 12.151 0.553 1.00 0.00 O ATOM 0 H GLU A 51 5.682 9.652 -1.320 1.00 0.00 H new ATOM 0 HA GLU A 51 5.007 12.470 -1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.158 10.918 0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.796 12.617 0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.873 10.315 0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.784 11.184 2.069 1.00 0.00 H new ATOM 472 N VAL A 52 7.854 11.426 -2.799 1.00 0.00 N ATOM 473 CA VAL A 52 8.801 11.817 -3.878 1.00 0.00 C ATOM 474 C VAL A 52 8.078 12.227 -5.152 1.00 0.00 C ATOM 475 O VAL A 52 8.372 13.283 -5.704 1.00 0.00 O ATOM 476 CB VAL A 52 9.841 10.744 -4.216 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.859 10.525 -3.095 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.284 9.370 -4.544 1.00 0.00 C ATOM 0 H VAL A 52 8.017 10.497 -2.411 1.00 0.00 H new ATOM 0 HA VAL A 52 9.336 12.673 -3.467 1.00 0.00 H new ATOM 0 HB VAL A 52 10.302 11.165 -5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.569 9.754 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.394 11.455 -2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.341 10.210 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.105 8.689 -4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.721 8.992 -3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.626 9.441 -5.410 1.00 0.00 H new ATOM 488 N MET A 53 7.099 11.441 -5.595 1.00 0.00 N ATOM 489 CA MET A 53 6.372 11.765 -6.832 1.00 0.00 C ATOM 490 C MET A 53 5.432 12.976 -6.690 1.00 0.00 C ATOM 491 O MET A 53 5.172 13.646 -7.684 1.00 0.00 O ATOM 492 CB MET A 53 5.697 10.538 -7.462 1.00 0.00 C ATOM 493 CG MET A 53 4.295 10.239 -6.925 1.00 0.00 C ATOM 494 SD MET A 53 3.479 8.820 -7.707 1.00 0.00 S ATOM 495 CE MET A 53 3.297 9.431 -9.412 1.00 0.00 C ATOM 0 H MET A 53 6.790 10.588 -5.129 1.00 0.00 H new ATOM 0 HA MET A 53 7.131 12.083 -7.546 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.635 10.687 -8.540 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.329 9.666 -7.296 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.361 10.059 -5.852 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.671 11.122 -7.062 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.588 8.802 -9.950 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.931 10.458 -9.394 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.264 9.400 -9.915 1.00 0.00 H new ATOM 505 N HIS A 54 4.974 13.312 -5.479 1.00 0.00 N ATOM 506 CA HIS A 54 4.250 14.560 -5.189 1.00 0.00 C ATOM 507 C HIS A 54 5.157 15.782 -5.426 1.00 0.00 C ATOM 508 O HIS A 54 4.887 16.597 -6.313 1.00 0.00 O ATOM 509 CB HIS A 54 3.692 14.496 -3.750 1.00 0.00 C ATOM 510 CG HIS A 54 3.600 15.830 -3.055 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.861 16.930 -3.496 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.369 16.205 -1.991 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.210 17.944 -2.686 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.101 17.535 -1.767 1.00 0.00 N ATOM 0 H HIS A 54 5.096 12.718 -4.659 1.00 0.00 H new ATOM 0 HA HIS A 54 3.406 14.673 -5.870 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.700 14.046 -3.778 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.325 13.835 -3.158 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.053 15.580 -1.435 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.827 18.951 -2.763 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.508 18.111 -1.031 1.00 0.00 H new ATOM 522 N TYR A 55 6.281 15.861 -4.708 1.00 0.00 N ATOM 523 CA TYR A 55 7.308 16.894 -4.870 1.00 0.00 C ATOM 524 C TYR A 55 7.861 16.984 -6.306 1.00 0.00 C ATOM 525 O TYR A 55 8.047 18.079 -6.835 1.00 0.00 O ATOM 526 CB TYR A 55 8.449 16.591 -3.898 1.00 0.00 C ATOM 527 CG TYR A 55 8.101 16.661 -2.422 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.620 17.856 -1.857 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.295 15.533 -1.605 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.292 17.918 -0.489 1.00 0.00 C ATOM 531 CE2 TYR A 55 7.964 15.587 -0.236 1.00 0.00 C ATOM 532 CZ TYR A 55 7.457 16.778 0.327 1.00 0.00 C ATOM 533 OH TYR A 55 7.135 16.827 1.651 1.00 0.00 O ATOM 0 H TYR A 55 6.508 15.188 -3.976 1.00 0.00 H new ATOM 0 HA TYR A 55 6.846 17.858 -4.658 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.829 15.593 -4.115 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.262 17.291 -4.093 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.501 18.732 -2.477 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.698 14.624 -2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.915 18.837 -0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.099 14.714 0.385 1.00 0.00 H new ATOM 0 HH TYR A 55 7.083 15.916 2.009 1.00 0.00 H new ATOM 543 N LEU A 56 8.088 15.846 -6.967 1.00 0.00 N ATOM 544 CA LEU A 56 8.574 15.774 -8.351 1.00 0.00 C ATOM 545 C LEU A 56 7.471 16.165 -9.360 1.00 0.00 C ATOM 546 O LEU A 56 7.753 16.822 -10.358 1.00 0.00 O ATOM 547 CB LEU A 56 9.168 14.365 -8.540 1.00 0.00 C ATOM 548 CG LEU A 56 10.114 14.131 -9.731 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.821 12.792 -9.508 1.00 0.00 C ATOM 550 CD2 LEU A 56 9.382 14.080 -11.071 1.00 0.00 C ATOM 0 H LEU A 56 7.936 14.929 -6.548 1.00 0.00 H new ATOM 0 HA LEU A 56 9.359 16.503 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.708 14.106 -7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.339 13.663 -8.630 1.00 0.00 H new ATOM 0 HG LEU A 56 10.812 14.967 -9.778 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.501 12.597 -10.338 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.386 12.830 -8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.080 11.995 -9.450 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.102 13.913 -11.873 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.657 13.266 -11.059 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.865 15.025 -11.239 1.00 0.00 H new ATOM 562 N GLY A 57 6.199 15.882 -9.067 1.00 0.00 N ATOM 563 CA GLY A 57 5.054 16.370 -9.840 1.00 0.00 C ATOM 564 C GLY A 57 4.933 17.897 -9.819 1.00 0.00 C ATOM 565 O GLY A 57 4.861 18.528 -10.876 1.00 0.00 O ATOM 0 H GLY A 57 5.932 15.299 -8.274 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.147 16.031 -10.872 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.139 15.932 -9.442 1.00 0.00 H new ATOM 569 N GLN A 58 5.036 18.522 -8.638 1.00 0.00 N ATOM 570 CA GLN A 58 5.090 19.988 -8.542 1.00 0.00 C ATOM 571 C GLN A 58 6.383 20.569 -9.150 1.00 0.00 C ATOM 572 O GLN A 58 6.326 21.641 -9.748 1.00 0.00 O ATOM 573 CB GLN A 58 4.734 20.498 -7.130 1.00 0.00 C ATOM 574 CG GLN A 58 5.731 20.127 -6.026 1.00 0.00 C ATOM 575 CD GLN A 58 5.288 20.519 -4.612 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.119 20.736 -4.318 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.200 20.597 -3.663 1.00 0.00 N ATOM 0 H GLN A 58 5.083 18.039 -7.741 1.00 0.00 H new ATOM 0 HA GLN A 58 4.298 20.390 -9.174 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.645 21.584 -7.166 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.754 20.107 -6.857 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.901 19.051 -6.054 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.686 20.607 -6.240 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.180 20.421 -3.882 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.925 20.834 -2.710 1.00 0.00 H new ATOM 586 N TYR A 59 7.523 19.858 -9.102 1.00 0.00 N ATOM 587 CA TYR A 59 8.731 20.240 -9.855 1.00 0.00 C ATOM 588 C TYR A 59 8.447 20.298 -11.360 1.00 0.00 C ATOM 589 O TYR A 59 8.630 21.355 -11.955 1.00 0.00 O ATOM 590 CB TYR A 59 9.896 19.280 -9.560 1.00 0.00 C ATOM 591 CG TYR A 59 11.195 19.576 -10.292 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.421 19.048 -11.580 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.212 20.312 -9.659 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.678 19.194 -12.200 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.475 20.439 -10.265 1.00 0.00 C ATOM 596 CZ TYR A 59 13.720 19.858 -11.521 1.00 0.00 C ATOM 597 OH TYR A 59 14.954 19.986 -12.069 1.00 0.00 O ATOM 0 H TYR A 59 7.633 19.010 -8.546 1.00 0.00 H new ATOM 0 HA TYR A 59 9.023 21.237 -9.526 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.093 19.295 -8.488 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.581 18.267 -9.812 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.626 18.529 -12.094 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.023 20.781 -8.705 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.843 18.799 -13.192 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.260 20.985 -9.763 1.00 0.00 H new ATOM 0 HH TYR A 59 14.975 19.532 -12.937 1.00 0.00 H new ATOM 607 N ILE A 60 7.919 19.227 -11.971 1.00 0.00 N ATOM 608 CA ILE A 60 7.529 19.208 -13.398 1.00 0.00 C ATOM 609 C ILE A 60 6.596 20.381 -13.709 1.00 0.00 C ATOM 610 O ILE A 60 6.777 21.057 -14.719 1.00 0.00 O ATOM 611 CB ILE A 60 6.839 17.870 -13.762 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.833 16.691 -13.719 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.169 17.917 -15.153 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.110 15.352 -13.516 1.00 0.00 C ATOM 0 H ILE A 60 7.748 18.343 -11.491 1.00 0.00 H new ATOM 0 HA ILE A 60 8.433 19.305 -13.999 1.00 0.00 H new ATOM 0 HB ILE A 60 6.065 17.717 -13.010 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.403 16.661 -14.647 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.548 16.846 -12.911 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.699 16.956 -15.363 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.413 18.702 -15.166 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.922 18.126 -15.913 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.841 14.544 -13.491 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.561 15.374 -12.575 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.414 15.186 -14.338 1.00 0.00 H new ATOM 626 N MET A 61 5.631 20.653 -12.831 1.00 0.00 N ATOM 627 CA MET A 61 4.624 21.691 -13.039 1.00 0.00 C ATOM 628 C MET A 61 5.188 23.127 -12.948 1.00 0.00 C ATOM 629 O MET A 61 4.769 23.988 -13.722 1.00 0.00 O ATOM 630 CB MET A 61 3.470 21.422 -12.063 1.00 0.00 C ATOM 631 CG MET A 61 2.192 22.198 -12.408 1.00 0.00 C ATOM 632 SD MET A 61 1.454 21.867 -14.039 1.00 0.00 S ATOM 633 CE MET A 61 0.984 20.119 -13.896 1.00 0.00 C ATOM 0 H MET A 61 5.526 20.154 -11.948 1.00 0.00 H new ATOM 0 HA MET A 61 4.254 21.638 -14.063 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.249 20.355 -12.058 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.787 21.687 -11.054 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.445 21.980 -11.645 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.412 23.264 -12.343 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.473 19.804 -14.806 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.878 19.512 -13.753 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.318 19.990 -13.043 1.00 0.00 H new ATOM 643 N VAL A 62 6.171 23.395 -12.073 1.00 0.00 N ATOM 644 CA VAL A 62 6.870 24.697 -11.969 1.00 0.00 C ATOM 645 C VAL A 62 7.916 24.858 -13.076 1.00 0.00 C ATOM 646 O VAL A 62 7.917 25.865 -13.790 1.00 0.00 O ATOM 647 CB VAL A 62 7.469 24.887 -10.565 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.366 26.126 -10.447 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.360 25.023 -9.512 1.00 0.00 C ATOM 0 H VAL A 62 6.512 22.704 -11.404 1.00 0.00 H new ATOM 0 HA VAL A 62 6.137 25.491 -12.115 1.00 0.00 H new ATOM 0 HB VAL A 62 8.075 23.998 -10.392 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.754 26.199 -9.431 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.197 26.042 -11.148 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.785 27.019 -10.678 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.808 25.156 -8.527 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.738 25.887 -9.748 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.746 24.123 -9.512 1.00 0.00 H new ATOM 659 N LYS A 63 8.750 23.828 -13.287 1.00 0.00 N ATOM 660 CA LYS A 63 9.687 23.731 -14.421 1.00 0.00 C ATOM 661 C LYS A 63 8.969 23.633 -15.780 1.00 0.00 C ATOM 662 O LYS A 63 9.615 23.780 -16.817 1.00 0.00 O ATOM 663 CB LYS A 63 10.622 22.517 -14.246 1.00 0.00 C ATOM 664 CG LYS A 63 11.528 22.449 -13.008 1.00 0.00 C ATOM 665 CD LYS A 63 12.266 23.754 -12.702 1.00 0.00 C ATOM 666 CE LYS A 63 13.553 23.520 -11.894 1.00 0.00 C ATOM 667 NZ LYS A 63 14.617 22.836 -12.690 1.00 0.00 N ATOM 0 H LYS A 63 8.794 23.023 -12.663 1.00 0.00 H new ATOM 0 HA LYS A 63 10.269 24.653 -14.421 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.002 21.621 -14.250 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.263 22.465 -15.126 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.924 22.174 -12.143 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.261 21.654 -13.150 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.513 24.257 -13.637 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.606 24.420 -12.146 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.932 24.477 -11.536 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.321 22.920 -11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.539 23.268 -12.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.643 21.827 -12.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.410 22.936 -13.704 1.00 0.00 H new ATOM 681 N GLN A 64 7.650 23.397 -15.764 1.00 0.00 N ATOM 682 CA GLN A 64 6.703 23.316 -16.885 1.00 0.00 C ATOM 683 C GLN A 64 7.201 22.428 -18.032 1.00 0.00 C ATOM 684 O GLN A 64 7.163 22.781 -19.213 1.00 0.00 O ATOM 685 CB GLN A 64 6.121 24.692 -17.244 1.00 0.00 C ATOM 686 CG GLN A 64 7.146 25.741 -17.689 1.00 0.00 C ATOM 687 CD GLN A 64 6.660 27.154 -17.378 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.178 27.888 -18.233 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.758 27.580 -16.131 1.00 0.00 N ATOM 0 H GLN A 64 7.172 23.243 -14.876 1.00 0.00 H new ATOM 0 HA GLN A 64 5.823 22.762 -16.559 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.389 24.562 -18.041 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.583 25.078 -16.378 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.096 25.561 -17.186 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.329 25.644 -18.759 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.158 26.974 -15.415 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.433 28.515 -15.884 1.00 0.00 H new ATOM 698 N LEU A 65 7.706 21.254 -17.638 1.00 0.00 N ATOM 699 CA LEU A 65 8.405 20.302 -18.499 1.00 0.00 C ATOM 700 C LEU A 65 7.407 19.380 -19.221 1.00 0.00 C ATOM 701 O LEU A 65 7.447 18.166 -19.055 1.00 0.00 O ATOM 702 CB LEU A 65 9.435 19.508 -17.659 1.00 0.00 C ATOM 703 CG LEU A 65 10.578 20.341 -17.064 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.416 19.485 -16.110 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.498 20.957 -18.118 1.00 0.00 C ATOM 0 H LEU A 65 7.635 20.931 -16.673 1.00 0.00 H new ATOM 0 HA LEU A 65 8.946 20.842 -19.276 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.908 19.010 -16.845 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.865 18.727 -18.286 1.00 0.00 H new ATOM 0 HG LEU A 65 10.102 21.163 -16.529 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.224 20.088 -15.695 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.785 19.117 -15.301 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.837 18.640 -16.654 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.282 21.532 -17.625 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.949 20.164 -18.715 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.919 21.615 -18.766 1.00 0.00 H new ATOM 717 N TYR A 66 6.461 19.937 -19.971 1.00 0.00 N ATOM 718 CA TYR A 66 5.362 19.207 -20.613 1.00 0.00 C ATOM 719 C TYR A 66 4.961 19.809 -21.970 1.00 0.00 C ATOM 720 O TYR A 66 5.366 20.923 -22.317 1.00 0.00 O ATOM 721 CB TYR A 66 4.171 19.129 -19.641 1.00 0.00 C ATOM 722 CG TYR A 66 3.712 20.452 -19.046 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.117 21.436 -19.860 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.874 20.696 -17.668 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.696 22.660 -19.311 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.436 21.912 -17.110 1.00 0.00 C ATOM 727 CZ TYR A 66 2.847 22.901 -17.929 1.00 0.00 C ATOM 728 OH TYR A 66 2.424 24.084 -17.401 1.00 0.00 O ATOM 0 H TYR A 66 6.433 20.939 -20.157 1.00 0.00 H new ATOM 0 HA TYR A 66 5.706 18.197 -20.838 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.329 18.676 -20.164 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.437 18.458 -18.824 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.983 21.248 -20.915 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.335 19.949 -17.039 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.257 23.415 -19.947 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.551 22.090 -16.051 1.00 0.00 H new ATOM 0 HH TYR A 66 2.598 24.093 -16.437 1.00 0.00 H new ATOM 738 N ASP A 67 4.165 19.076 -22.755 1.00 0.00 N ATOM 739 CA ASP A 67 3.684 19.548 -24.059 1.00 0.00 C ATOM 740 C ASP A 67 2.592 20.633 -23.950 1.00 0.00 C ATOM 741 O ASP A 67 1.773 20.649 -23.029 1.00 0.00 O ATOM 742 CB ASP A 67 3.208 18.377 -24.922 1.00 0.00 C ATOM 743 CG ASP A 67 3.027 18.829 -26.374 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.037 18.943 -27.110 1.00 0.00 O ATOM 745 OD2 ASP A 67 1.880 19.157 -26.744 1.00 0.00 O ATOM 0 H ASP A 67 3.837 18.143 -22.507 1.00 0.00 H new ATOM 0 HA ASP A 67 4.536 20.021 -24.546 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.931 17.563 -24.874 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.266 17.989 -24.534 1.00 0.00 H new ATOM 750 N GLN A 68 2.567 21.534 -24.933 1.00 0.00 N ATOM 751 CA GLN A 68 1.677 22.698 -25.013 1.00 0.00 C ATOM 752 C GLN A 68 0.213 22.281 -25.260 1.00 0.00 C ATOM 753 O GLN A 68 -0.713 22.913 -24.747 1.00 0.00 O ATOM 754 CB GLN A 68 2.100 23.660 -26.154 1.00 0.00 C ATOM 755 CG GLN A 68 3.593 23.857 -26.494 1.00 0.00 C ATOM 756 CD GLN A 68 4.325 22.581 -26.926 1.00 0.00 C ATOM 757 OE1 GLN A 68 5.403 22.264 -26.445 1.00 0.00 O ATOM 758 NE2 GLN A 68 3.731 21.728 -27.736 1.00 0.00 N ATOM 0 H GLN A 68 3.196 21.471 -25.734 1.00 0.00 H new ATOM 0 HA GLN A 68 1.757 23.205 -24.051 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.604 23.320 -27.063 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.691 24.642 -25.916 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.676 24.595 -27.292 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.099 24.272 -25.622 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.831 21.963 -28.153 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.172 20.832 -27.946 1.00 0.00 H new ATOM 767 N GLN A 69 0.009 21.222 -26.055 1.00 0.00 N ATOM 768 CA GLN A 69 -1.297 20.662 -26.409 1.00 0.00 C ATOM 769 C GLN A 69 -1.721 19.525 -25.464 1.00 0.00 C ATOM 770 O GLN A 69 -2.917 19.244 -25.352 1.00 0.00 O ATOM 771 CB GLN A 69 -1.300 20.209 -27.884 1.00 0.00 C ATOM 772 CG GLN A 69 -1.343 21.370 -28.899 1.00 0.00 C ATOM 773 CD GLN A 69 -0.041 22.161 -29.074 1.00 0.00 C ATOM 774 OE1 GLN A 69 1.073 21.674 -28.922 1.00 0.00 O ATOM 775 NE2 GLN A 69 -0.121 23.429 -29.425 1.00 0.00 N ATOM 0 H GLN A 69 0.782 20.714 -26.485 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.041 21.450 -26.288 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.409 19.610 -28.071 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.160 19.561 -28.052 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.633 20.967 -29.869 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.127 22.063 -28.595 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.034 23.864 -29.560 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.730 23.975 -29.562 1.00 0.00 H new ATOM 784 N GLU A 70 -0.777 18.895 -24.755 1.00 0.00 N ATOM 785 CA GLU A 70 -1.072 17.832 -23.785 1.00 0.00 C ATOM 786 C GLU A 70 -0.113 17.843 -22.583 1.00 0.00 C ATOM 787 O GLU A 70 0.941 17.207 -22.579 1.00 0.00 O ATOM 788 CB GLU A 70 -1.152 16.449 -24.466 1.00 0.00 C ATOM 789 CG GLU A 70 -0.188 16.229 -25.644 1.00 0.00 C ATOM 790 CD GLU A 70 -0.366 14.830 -26.271 1.00 0.00 C ATOM 791 OE1 GLU A 70 -1.452 14.542 -26.833 1.00 0.00 O ATOM 792 OE2 GLU A 70 0.591 14.017 -26.253 1.00 0.00 O ATOM 0 H GLU A 70 0.217 19.108 -24.838 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.060 18.043 -23.376 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.959 15.683 -23.715 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.171 16.298 -24.821 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.360 16.993 -26.403 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.840 16.346 -25.300 1.00 0.00 H new ATOM 799 N GLN A 71 -0.543 18.505 -21.504 1.00 0.00 N ATOM 800 CA GLN A 71 0.156 18.547 -20.211 1.00 0.00 C ATOM 801 C GLN A 71 0.358 17.148 -19.592 1.00 0.00 C ATOM 802 O GLN A 71 1.215 16.969 -18.725 1.00 0.00 O ATOM 803 CB GLN A 71 -0.626 19.431 -19.222 1.00 0.00 C ATOM 804 CG GLN A 71 -0.686 20.926 -19.597 1.00 0.00 C ATOM 805 CD GLN A 71 -1.679 21.303 -20.703 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.511 20.524 -21.154 1.00 0.00 O ATOM 807 NE2 GLN A 71 -1.637 22.528 -21.185 1.00 0.00 N ATOM 0 H GLN A 71 -1.410 19.042 -21.504 1.00 0.00 H new ATOM 0 HA GLN A 71 1.144 18.966 -20.401 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.644 19.050 -19.143 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.173 19.336 -18.235 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.937 21.495 -18.702 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.310 21.243 -19.907 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.953 23.194 -20.826 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.288 22.810 -21.918 1.00 0.00 H new ATOM 816 N HIS A 72 -0.404 16.146 -20.058 1.00 0.00 N ATOM 817 CA HIS A 72 -0.258 14.743 -19.661 1.00 0.00 C ATOM 818 C HIS A 72 1.085 14.125 -20.116 1.00 0.00 C ATOM 819 O HIS A 72 1.537 13.142 -19.521 1.00 0.00 O ATOM 820 CB HIS A 72 -1.484 13.937 -20.155 1.00 0.00 C ATOM 821 CG HIS A 72 -1.184 12.938 -21.250 1.00 0.00 C ATOM 822 ND1 HIS A 72 -0.796 13.265 -22.550 1.00 0.00 N ATOM 823 CD2 HIS A 72 -1.127 11.581 -21.102 1.00 0.00 C ATOM 824 CE1 HIS A 72 -0.495 12.104 -23.152 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.695 11.075 -22.310 1.00 0.00 N ATOM 0 H HIS A 72 -1.153 16.295 -20.735 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.229 14.697 -18.572 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.919 13.407 -19.308 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.239 14.635 -20.516 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.372 11.016 -20.215 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.142 12.010 -24.168 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.552 10.089 -22.527 1.00 0.00 H new ATOM 833 N MET A 73 1.726 14.697 -21.144 1.00 0.00 N ATOM 834 CA MET A 73 2.999 14.247 -21.711 1.00 0.00 C ATOM 835 C MET A 73 4.151 15.138 -21.226 1.00 0.00 C ATOM 836 O MET A 73 4.089 16.363 -21.342 1.00 0.00 O ATOM 837 CB MET A 73 2.905 14.228 -23.245 1.00 0.00 C ATOM 838 CG MET A 73 4.153 13.605 -23.880 1.00 0.00 C ATOM 839 SD MET A 73 4.414 11.859 -23.463 1.00 0.00 S ATOM 840 CE MET A 73 6.162 11.707 -23.912 1.00 0.00 C ATOM 0 H MET A 73 1.355 15.519 -21.621 1.00 0.00 H new ATOM 0 HA MET A 73 3.207 13.233 -21.369 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.022 13.665 -23.549 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.777 15.245 -23.615 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.081 13.700 -24.963 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.028 14.175 -23.568 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.583 10.820 -23.440 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.253 11.620 -24.995 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.703 12.590 -23.572 1.00 0.00 H new ATOM 850 N VAL A 74 5.213 14.523 -20.703 1.00 0.00 N ATOM 851 CA VAL A 74 6.326 15.176 -19.995 1.00 0.00 C ATOM 852 C VAL A 74 7.601 15.146 -20.849 1.00 0.00 C ATOM 853 O VAL A 74 7.968 14.113 -21.410 1.00 0.00 O ATOM 854 CB VAL A 74 6.555 14.517 -18.612 1.00 0.00 C ATOM 855 CG1 VAL A 74 7.522 15.322 -17.739 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.251 14.381 -17.807 1.00 0.00 C ATOM 0 H VAL A 74 5.330 13.511 -20.762 1.00 0.00 H new ATOM 0 HA VAL A 74 6.065 16.220 -19.825 1.00 0.00 H new ATOM 0 HB VAL A 74 6.969 13.535 -18.840 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.650 14.820 -16.780 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.487 15.399 -18.240 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.118 16.321 -17.574 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.464 13.914 -16.846 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.820 15.369 -17.643 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.544 13.764 -18.362 1.00 0.00 H new ATOM 866 N TYR A 75 8.286 16.289 -20.917 1.00 0.00 N ATOM 867 CA TYR A 75 9.493 16.573 -21.696 1.00 0.00 C ATOM 868 C TYR A 75 10.503 17.368 -20.852 1.00 0.00 C ATOM 869 O TYR A 75 10.446 18.592 -20.740 1.00 0.00 O ATOM 870 CB TYR A 75 9.104 17.341 -22.969 1.00 0.00 C ATOM 871 CG TYR A 75 8.454 16.454 -24.007 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.212 15.411 -24.565 1.00 0.00 C ATOM 873 CD2 TYR A 75 7.112 16.641 -24.394 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.627 14.532 -25.488 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.534 15.782 -25.350 1.00 0.00 C ATOM 876 CZ TYR A 75 7.289 14.719 -25.897 1.00 0.00 C ATOM 877 OH TYR A 75 6.743 13.880 -26.822 1.00 0.00 O ATOM 0 H TYR A 75 7.987 17.106 -20.385 1.00 0.00 H new ATOM 0 HA TYR A 75 9.972 15.637 -21.983 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.420 18.149 -22.707 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.994 17.803 -23.397 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.247 15.286 -24.283 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.529 17.439 -23.960 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.202 13.709 -25.887 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.513 15.936 -25.665 1.00 0.00 H new ATOM 0 HH TYR A 75 5.815 14.143 -26.994 1.00 0.00 H new ATOM 887 N CYS A 76 11.452 16.638 -20.274 1.00 0.00 N ATOM 888 CA CYS A 76 12.517 17.082 -19.369 1.00 0.00 C ATOM 889 C CYS A 76 13.811 17.505 -20.095 1.00 0.00 C ATOM 890 O CYS A 76 14.906 17.349 -19.550 1.00 0.00 O ATOM 891 CB CYS A 76 12.782 15.931 -18.391 1.00 0.00 C ATOM 892 SG CYS A 76 11.375 15.699 -17.267 1.00 0.00 S ATOM 0 H CYS A 76 11.503 15.633 -20.439 1.00 0.00 H new ATOM 0 HA CYS A 76 12.188 17.982 -18.849 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.964 15.011 -18.947 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.683 16.139 -17.814 1.00 0.00 H new ATOM 0 HG CYS A 76 10.987 14.459 -17.308 1.00 0.00 H new ATOM 898 N GLY A 77 13.713 17.969 -21.344 1.00 0.00 N ATOM 899 CA GLY A 77 14.875 18.196 -22.206 1.00 0.00 C ATOM 900 C GLY A 77 15.885 19.184 -21.606 1.00 0.00 C ATOM 901 O GLY A 77 15.558 20.345 -21.346 1.00 0.00 O ATOM 0 H GLY A 77 12.823 18.198 -21.786 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.373 17.245 -22.392 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.536 18.573 -23.171 1.00 0.00 H new ATOM 905 N GLY A 78 17.111 18.708 -21.376 1.00 0.00 N ATOM 906 CA GLY A 78 18.210 19.460 -20.765 1.00 0.00 C ATOM 907 C GLY A 78 18.105 19.680 -19.246 1.00 0.00 C ATOM 908 O GLY A 78 18.901 20.454 -18.707 1.00 0.00 O ATOM 0 H GLY A 78 17.375 17.753 -21.619 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.144 18.938 -20.974 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.274 20.434 -21.251 1.00 0.00 H new ATOM 912 N ASP A 79 17.157 19.048 -18.538 1.00 0.00 N ATOM 913 CA ASP A 79 16.952 19.242 -17.102 1.00 0.00 C ATOM 914 C ASP A 79 17.682 18.171 -16.263 1.00 0.00 C ATOM 915 O ASP A 79 17.828 17.007 -16.666 1.00 0.00 O ATOM 916 CB ASP A 79 15.443 19.320 -16.815 1.00 0.00 C ATOM 917 CG ASP A 79 15.175 19.881 -15.417 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.229 19.084 -14.457 1.00 0.00 O ATOM 919 OD2 ASP A 79 14.960 21.105 -15.262 1.00 0.00 O ATOM 0 H ASP A 79 16.506 18.382 -18.954 1.00 0.00 H new ATOM 0 HA ASP A 79 17.401 20.187 -16.796 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.960 19.950 -17.562 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.002 18.327 -16.902 1.00 0.00 H new ATOM 924 N LEU A 80 18.108 18.556 -15.053 1.00 0.00 N ATOM 925 CA LEU A 80 18.772 17.680 -14.092 1.00 0.00 C ATOM 926 C LEU A 80 17.878 16.482 -13.716 1.00 0.00 C ATOM 927 O LEU A 80 18.386 15.406 -13.408 1.00 0.00 O ATOM 928 CB LEU A 80 19.211 18.534 -12.887 1.00 0.00 C ATOM 929 CG LEU A 80 20.210 17.844 -11.938 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.533 17.478 -12.616 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.525 18.769 -10.762 1.00 0.00 C ATOM 0 H LEU A 80 17.995 19.510 -14.711 1.00 0.00 H new ATOM 0 HA LEU A 80 19.664 17.232 -14.530 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.660 19.456 -13.257 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.326 18.816 -12.317 1.00 0.00 H new ATOM 0 HG LEU A 80 19.732 16.921 -11.610 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.191 16.996 -11.893 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.341 16.795 -13.444 1.00 0.00 H new ATOM 0 HD13 LEU A 80 22.010 18.382 -12.994 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.232 18.279 -10.092 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.961 19.696 -11.135 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.607 18.993 -10.219 1.00 0.00 H new ATOM 943 N LEU A 81 16.551 16.648 -13.789 1.00 0.00 N ATOM 944 CA LEU A 81 15.574 15.575 -13.604 1.00 0.00 C ATOM 945 C LEU A 81 15.695 14.494 -14.694 1.00 0.00 C ATOM 946 O LEU A 81 15.789 13.314 -14.368 1.00 0.00 O ATOM 947 CB LEU A 81 14.166 16.204 -13.551 1.00 0.00 C ATOM 948 CG LEU A 81 13.014 15.182 -13.483 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.070 14.336 -12.211 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.658 15.885 -13.508 1.00 0.00 C ATOM 0 H LEU A 81 16.121 17.552 -13.983 1.00 0.00 H new ATOM 0 HA LEU A 81 15.769 15.059 -12.664 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.106 16.859 -12.682 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.028 16.831 -14.432 1.00 0.00 H new ATOM 0 HG LEU A 81 13.131 14.538 -14.355 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.239 13.630 -12.206 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.012 13.788 -12.180 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.999 14.986 -11.339 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.862 15.142 -13.459 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.581 16.557 -12.653 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.563 16.459 -14.430 1.00 0.00 H new ATOM 962 N GLY A 82 15.744 14.878 -15.975 1.00 0.00 N ATOM 963 CA GLY A 82 15.944 13.938 -17.089 1.00 0.00 C ATOM 964 C GLY A 82 17.324 13.277 -17.053 1.00 0.00 C ATOM 965 O GLY A 82 17.442 12.075 -17.293 1.00 0.00 O ATOM 0 H GLY A 82 15.646 15.849 -16.271 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.174 13.167 -17.054 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.822 14.467 -18.034 1.00 0.00 H new ATOM 969 N GLU A 83 18.361 14.024 -16.663 1.00 0.00 N ATOM 970 CA GLU A 83 19.708 13.504 -16.468 1.00 0.00 C ATOM 971 C GLU A 83 19.769 12.470 -15.322 1.00 0.00 C ATOM 972 O GLU A 83 20.460 11.457 -15.452 1.00 0.00 O ATOM 973 CB GLU A 83 20.583 14.741 -16.230 1.00 0.00 C ATOM 974 CG GLU A 83 21.953 14.482 -15.623 1.00 0.00 C ATOM 975 CD GLU A 83 22.882 13.588 -16.474 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.771 13.574 -17.725 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.766 12.912 -15.892 1.00 0.00 O ATOM 0 H GLU A 83 18.282 15.023 -16.472 1.00 0.00 H new ATOM 0 HA GLU A 83 20.064 12.944 -17.333 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.721 15.253 -17.182 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.041 15.424 -15.576 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.447 15.439 -15.456 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.820 14.017 -14.646 1.00 0.00 H new ATOM 984 N LEU A 84 19.010 12.674 -14.236 1.00 0.00 N ATOM 985 CA LEU A 84 18.923 11.736 -13.111 1.00 0.00 C ATOM 986 C LEU A 84 18.110 10.477 -13.470 1.00 0.00 C ATOM 987 O LEU A 84 18.557 9.357 -13.214 1.00 0.00 O ATOM 988 CB LEU A 84 18.377 12.492 -11.879 1.00 0.00 C ATOM 989 CG LEU A 84 18.323 11.743 -10.529 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.105 10.830 -10.385 1.00 0.00 C ATOM 991 CD2 LEU A 84 19.590 10.938 -10.236 1.00 0.00 C ATOM 0 H LEU A 84 18.433 13.506 -14.114 1.00 0.00 H new ATOM 0 HA LEU A 84 19.916 11.359 -12.866 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.985 13.386 -11.740 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.367 12.827 -12.115 1.00 0.00 H new ATOM 0 HG LEU A 84 18.239 12.542 -9.793 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.133 10.337 -9.413 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.194 11.423 -10.465 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.119 10.078 -11.174 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.488 10.436 -9.274 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.738 10.194 -11.019 1.00 0.00 H new ATOM 0 HD23 LEU A 84 20.449 11.609 -10.206 1.00 0.00 H new ATOM 1003 N LEU A 85 16.945 10.645 -14.109 1.00 0.00 N ATOM 1004 CA LEU A 85 16.103 9.538 -14.593 1.00 0.00 C ATOM 1005 C LEU A 85 16.790 8.708 -15.694 1.00 0.00 C ATOM 1006 O LEU A 85 16.483 7.525 -15.848 1.00 0.00 O ATOM 1007 CB LEU A 85 14.763 10.111 -15.109 1.00 0.00 C ATOM 1008 CG LEU A 85 13.615 10.169 -14.082 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.988 10.760 -12.726 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.480 11.012 -14.662 1.00 0.00 C ATOM 0 H LEU A 85 16.554 11.566 -14.308 1.00 0.00 H new ATOM 0 HA LEU A 85 15.928 8.861 -13.757 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.941 11.119 -15.483 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.436 9.510 -15.957 1.00 0.00 H new ATOM 0 HG LEU A 85 13.331 9.132 -13.902 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.114 10.757 -12.075 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.779 10.162 -12.274 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.338 11.784 -12.859 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.660 11.061 -13.945 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.843 12.019 -14.868 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.126 10.558 -15.587 1.00 0.00 H new ATOM 1022 N GLY A 86 17.684 9.315 -16.481 1.00 0.00 N ATOM 1023 CA GLY A 86 18.349 8.683 -17.629 1.00 0.00 C ATOM 1024 C GLY A 86 17.539 8.745 -18.933 1.00 0.00 C ATOM 1025 O GLY A 86 17.996 8.248 -19.965 1.00 0.00 O ATOM 0 H GLY A 86 17.973 10.282 -16.335 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.313 9.167 -17.789 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.552 7.639 -17.389 1.00 0.00 H new ATOM 1029 N ARG A 87 16.347 9.360 -18.894 1.00 0.00 N ATOM 1030 CA ARG A 87 15.517 9.707 -20.060 1.00 0.00 C ATOM 1031 C ARG A 87 14.760 11.007 -19.846 1.00 0.00 C ATOM 1032 O ARG A 87 14.373 11.345 -18.731 1.00 0.00 O ATOM 1033 CB ARG A 87 14.571 8.568 -20.517 1.00 0.00 C ATOM 1034 CG ARG A 87 13.763 7.799 -19.452 1.00 0.00 C ATOM 1035 CD ARG A 87 14.621 6.871 -18.577 1.00 0.00 C ATOM 1036 NE ARG A 87 13.921 5.625 -18.208 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.280 4.774 -17.261 1.00 0.00 C ATOM 1038 NH1 ARG A 87 15.211 5.011 -16.387 1.00 0.00 N ATOM 1039 NH2 ARG A 87 13.709 3.615 -17.145 1.00 0.00 N ATOM 0 H ARG A 87 15.916 9.641 -18.013 1.00 0.00 H new ATOM 0 HA ARG A 87 16.219 9.855 -20.881 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.861 8.994 -21.226 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.171 7.841 -21.064 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.249 8.515 -18.811 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.994 7.207 -19.949 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.539 6.623 -19.110 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.912 7.401 -17.670 1.00 0.00 H new ATOM 0 HE ARG A 87 13.078 5.398 -18.735 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.714 5.898 -16.406 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.439 4.310 -15.682 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.968 3.345 -17.791 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.001 2.974 -16.407 1.00 0.00 H new ATOM 1053 N GLN A 88 14.558 11.722 -20.950 1.00 0.00 N ATOM 1054 CA GLN A 88 14.008 13.081 -20.977 1.00 0.00 C ATOM 1055 C GLN A 88 12.522 13.119 -21.339 1.00 0.00 C ATOM 1056 O GLN A 88 11.962 14.204 -21.465 1.00 0.00 O ATOM 1057 CB GLN A 88 14.871 13.960 -21.897 1.00 0.00 C ATOM 1058 CG GLN A 88 16.259 14.147 -21.271 1.00 0.00 C ATOM 1059 CD GLN A 88 17.258 14.803 -22.223 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.581 15.976 -22.117 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.786 14.084 -23.192 1.00 0.00 N ATOM 0 H GLN A 88 14.778 11.364 -21.879 1.00 0.00 H new ATOM 0 HA GLN A 88 14.051 13.489 -19.967 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.963 13.496 -22.879 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.394 14.929 -22.045 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.167 14.757 -20.372 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.645 13.176 -20.960 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.529 13.103 -23.297 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.452 14.509 -23.837 1.00 0.00 H new ATOM 1070 N SER A 89 11.861 11.969 -21.474 1.00 0.00 N ATOM 1071 CA SER A 89 10.400 11.937 -21.669 1.00 0.00 C ATOM 1072 C SER A 89 9.680 10.726 -21.066 1.00 0.00 C ATOM 1073 O SER A 89 10.214 9.615 -21.000 1.00 0.00 O ATOM 1074 CB SER A 89 10.037 12.117 -23.148 1.00 0.00 C ATOM 1075 OG SER A 89 10.536 11.048 -23.941 1.00 0.00 O ATOM 0 H SER A 89 12.304 11.051 -21.453 1.00 0.00 H new ATOM 0 HA SER A 89 10.029 12.787 -21.096 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.954 12.175 -23.253 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.443 13.061 -23.511 1.00 0.00 H new ATOM 0 HG SER A 89 10.286 11.191 -24.878 1.00 0.00 H new ATOM 1081 N PHE A 90 8.458 10.985 -20.593 1.00 0.00 N ATOM 1082 CA PHE A 90 7.499 10.047 -19.991 1.00 0.00 C ATOM 1083 C PHE A 90 6.101 10.698 -19.958 1.00 0.00 C ATOM 1084 O PHE A 90 5.932 11.815 -20.446 1.00 0.00 O ATOM 1085 CB PHE A 90 7.978 9.627 -18.586 1.00 0.00 C ATOM 1086 CG PHE A 90 8.316 10.735 -17.602 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.618 11.274 -17.569 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.355 11.182 -16.674 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.954 12.260 -16.626 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.698 12.159 -15.721 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.998 12.695 -15.693 1.00 0.00 C ATOM 0 H PHE A 90 8.081 11.932 -20.622 1.00 0.00 H new ATOM 0 HA PHE A 90 7.434 9.140 -20.593 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.204 9.004 -18.139 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.862 9.001 -18.705 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.361 10.927 -18.272 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.355 10.775 -16.694 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.947 12.684 -16.618 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.960 12.498 -15.009 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.261 13.439 -14.956 1.00 0.00 H new ATOM 1101 N SER A 91 5.085 10.038 -19.401 1.00 0.00 N ATOM 1102 CA SER A 91 3.727 10.597 -19.278 1.00 0.00 C ATOM 1103 C SER A 91 3.102 10.310 -17.912 1.00 0.00 C ATOM 1104 O SER A 91 3.616 9.504 -17.136 1.00 0.00 O ATOM 1105 CB SER A 91 2.838 10.055 -20.400 1.00 0.00 C ATOM 1106 OG SER A 91 2.469 8.718 -20.112 1.00 0.00 O ATOM 0 H SER A 91 5.175 9.096 -19.019 1.00 0.00 H new ATOM 0 HA SER A 91 3.807 11.680 -19.368 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.947 10.674 -20.503 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.368 10.099 -21.351 1.00 0.00 H new ATOM 0 HG SER A 91 2.184 8.272 -20.937 1.00 0.00 H new ATOM 1112 N VAL A 92 1.954 10.930 -17.622 1.00 0.00 N ATOM 1113 CA VAL A 92 1.175 10.633 -16.403 1.00 0.00 C ATOM 1114 C VAL A 92 0.505 9.248 -16.428 1.00 0.00 C ATOM 1115 O VAL A 92 0.119 8.756 -15.367 1.00 0.00 O ATOM 1116 CB VAL A 92 0.152 11.739 -16.080 1.00 0.00 C ATOM 1117 CG1 VAL A 92 0.837 13.105 -15.959 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.963 11.835 -17.125 1.00 0.00 C ATOM 0 H VAL A 92 1.536 11.647 -18.216 1.00 0.00 H new ATOM 0 HA VAL A 92 1.906 10.609 -15.595 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.297 11.462 -15.126 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.092 13.867 -15.731 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.578 13.071 -15.160 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.329 13.350 -16.900 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.655 12.630 -16.847 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.529 12.056 -18.100 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.500 10.887 -17.173 1.00 0.00 H new ATOM 1128 N LYS A 93 0.399 8.593 -17.601 1.00 0.00 N ATOM 1129 CA LYS A 93 -0.054 7.190 -17.723 1.00 0.00 C ATOM 1130 C LYS A 93 1.095 6.169 -17.755 1.00 0.00 C ATOM 1131 O LYS A 93 0.871 4.995 -17.462 1.00 0.00 O ATOM 1132 CB LYS A 93 -1.040 7.018 -18.895 1.00 0.00 C ATOM 1133 CG LYS A 93 -0.410 7.113 -20.295 1.00 0.00 C ATOM 1134 CD LYS A 93 -1.417 6.707 -21.382 1.00 0.00 C ATOM 1135 CE LYS A 93 -0.732 6.647 -22.756 1.00 0.00 C ATOM 1136 NZ LYS A 93 -1.679 6.226 -23.825 1.00 0.00 N ATOM 0 H LYS A 93 0.626 9.024 -18.497 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.597 6.963 -16.806 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.530 6.049 -18.799 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.817 7.778 -18.811 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.067 8.132 -20.475 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.467 6.468 -20.347 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.848 5.735 -21.142 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.239 7.422 -21.410 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.319 7.626 -23.000 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.105 5.950 -22.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.181 6.197 -24.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.054 5.281 -23.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.464 6.905 -23.880 1.00 0.00 H new ATOM 1150 N ASP A 94 2.318 6.613 -18.059 1.00 0.00 N ATOM 1151 CA ASP A 94 3.547 5.809 -18.036 1.00 0.00 C ATOM 1152 C ASP A 94 4.705 6.510 -17.271 1.00 0.00 C ATOM 1153 O ASP A 94 5.735 6.839 -17.869 1.00 0.00 O ATOM 1154 CB ASP A 94 3.903 5.429 -19.485 1.00 0.00 C ATOM 1155 CG ASP A 94 5.041 4.396 -19.570 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.097 3.475 -18.719 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.848 4.462 -20.530 1.00 0.00 O ATOM 0 H ASP A 94 2.487 7.579 -18.339 1.00 0.00 H new ATOM 0 HA ASP A 94 3.377 4.893 -17.470 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.018 5.028 -19.978 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.193 6.327 -20.030 1.00 0.00 H new ATOM 1162 N PRO A 95 4.565 6.752 -15.947 1.00 0.00 N ATOM 1163 CA PRO A 95 5.560 7.434 -15.100 1.00 0.00 C ATOM 1164 C PRO A 95 6.736 6.540 -14.643 1.00 0.00 C ATOM 1165 O PRO A 95 7.480 6.896 -13.726 1.00 0.00 O ATOM 1166 CB PRO A 95 4.746 7.976 -13.916 1.00 0.00 C ATOM 1167 CG PRO A 95 3.669 6.907 -13.740 1.00 0.00 C ATOM 1168 CD PRO A 95 3.346 6.526 -15.178 1.00 0.00 C ATOM 0 HA PRO A 95 6.067 8.219 -15.661 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.357 8.088 -13.020 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.316 8.954 -14.133 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.033 6.055 -13.166 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.795 7.294 -13.216 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.033 5.484 -15.243 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.525 7.130 -15.565 1.00 0.00 H new ATOM 1176 N SER A 96 6.917 5.364 -15.253 1.00 0.00 N ATOM 1177 CA SER A 96 7.890 4.330 -14.856 1.00 0.00 C ATOM 1178 C SER A 96 9.354 4.769 -14.641 1.00 0.00 C ATOM 1179 O SER A 96 9.986 4.152 -13.781 1.00 0.00 O ATOM 1180 CB SER A 96 7.832 3.133 -15.816 1.00 0.00 C ATOM 1181 OG SER A 96 8.317 3.472 -17.105 1.00 0.00 O ATOM 0 H SER A 96 6.370 5.092 -16.070 1.00 0.00 H new ATOM 0 HA SER A 96 7.557 4.057 -13.855 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.422 2.311 -15.410 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.804 2.779 -15.895 1.00 0.00 H new ATOM 0 HG SER A 96 8.268 2.687 -17.690 1.00 0.00 H new ATOM 1187 N PRO A 97 9.927 5.827 -15.269 1.00 0.00 N ATOM 1188 CA PRO A 97 11.298 6.256 -14.963 1.00 0.00 C ATOM 1189 C PRO A 97 11.519 6.686 -13.504 1.00 0.00 C ATOM 1190 O PRO A 97 12.620 6.510 -12.986 1.00 0.00 O ATOM 1191 CB PRO A 97 11.604 7.398 -15.937 1.00 0.00 C ATOM 1192 CG PRO A 97 10.717 7.063 -17.130 1.00 0.00 C ATOM 1193 CD PRO A 97 9.452 6.559 -16.440 1.00 0.00 C ATOM 0 HA PRO A 97 11.977 5.412 -15.084 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.360 8.371 -15.511 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.659 7.426 -16.211 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.523 7.935 -17.754 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.164 6.304 -17.772 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.803 7.386 -16.152 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.872 5.914 -17.100 1.00 0.00 H new ATOM 1201 N LEU A 98 10.481 7.182 -12.812 1.00 0.00 N ATOM 1202 CA LEU A 98 10.538 7.449 -11.366 1.00 0.00 C ATOM 1203 C LEU A 98 10.655 6.133 -10.586 1.00 0.00 C ATOM 1204 O LEU A 98 11.522 5.966 -9.730 1.00 0.00 O ATOM 1205 CB LEU A 98 9.275 8.199 -10.895 1.00 0.00 C ATOM 1206 CG LEU A 98 9.193 9.698 -11.232 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.934 9.988 -12.711 1.00 0.00 C ATOM 1208 CD2 LEU A 98 8.041 10.296 -10.421 1.00 0.00 C ATOM 0 H LEU A 98 9.582 7.408 -13.237 1.00 0.00 H new ATOM 0 HA LEU A 98 11.414 8.069 -11.177 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.405 7.705 -11.328 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.198 8.089 -9.813 1.00 0.00 H new ATOM 0 HG LEU A 98 10.161 10.137 -10.989 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.890 11.066 -12.868 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.741 9.567 -13.311 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.987 9.539 -13.009 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.957 11.361 -10.639 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.110 9.796 -10.689 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.234 10.157 -9.357 1.00 0.00 H new ATOM 1220 N TYR A 99 9.800 5.165 -10.910 1.00 0.00 N ATOM 1221 CA TYR A 99 9.773 3.876 -10.223 1.00 0.00 C ATOM 1222 C TYR A 99 11.044 3.061 -10.481 1.00 0.00 C ATOM 1223 O TYR A 99 11.507 2.366 -9.588 1.00 0.00 O ATOM 1224 CB TYR A 99 8.521 3.093 -10.632 1.00 0.00 C ATOM 1225 CG TYR A 99 7.213 3.737 -10.210 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.615 4.724 -11.018 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.589 3.344 -9.010 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.397 5.313 -10.635 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.359 3.916 -8.632 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.756 4.900 -9.445 1.00 0.00 C ATOM 1231 OH TYR A 99 3.555 5.429 -9.079 1.00 0.00 O ATOM 0 H TYR A 99 9.108 5.252 -11.654 1.00 0.00 H new ATOM 0 HA TYR A 99 9.736 4.066 -9.150 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.520 2.973 -11.715 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.575 2.093 -10.201 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.094 5.030 -11.936 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.055 2.602 -8.378 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.951 6.081 -11.250 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.876 3.601 -7.719 1.00 0.00 H new ATOM 0 HH TYR A 99 3.693 6.323 -8.702 1.00 0.00 H new ATOM 1241 N ASP A 100 11.677 3.209 -11.644 1.00 0.00 N ATOM 1242 CA ASP A 100 12.987 2.621 -11.954 1.00 0.00 C ATOM 1243 C ASP A 100 14.138 3.247 -11.136 1.00 0.00 C ATOM 1244 O ASP A 100 15.099 2.575 -10.762 1.00 0.00 O ATOM 1245 CB ASP A 100 13.232 2.823 -13.451 1.00 0.00 C ATOM 1246 CG ASP A 100 14.453 2.064 -13.986 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.744 0.941 -13.509 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.092 2.589 -14.929 1.00 0.00 O ATOM 0 H ASP A 100 11.289 3.752 -12.415 1.00 0.00 H new ATOM 0 HA ASP A 100 12.972 1.565 -11.686 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.347 2.503 -14.001 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.362 3.887 -13.648 1.00 0.00 H new ATOM 1253 N MET A 101 14.008 4.533 -10.806 1.00 0.00 N ATOM 1254 CA MET A 101 14.869 5.260 -9.863 1.00 0.00 C ATOM 1255 C MET A 101 14.645 4.774 -8.413 1.00 0.00 C ATOM 1256 O MET A 101 15.590 4.685 -7.628 1.00 0.00 O ATOM 1257 CB MET A 101 14.622 6.774 -10.090 1.00 0.00 C ATOM 1258 CG MET A 101 14.514 7.662 -8.846 1.00 0.00 C ATOM 1259 SD MET A 101 13.838 9.317 -9.186 1.00 0.00 S ATOM 1260 CE MET A 101 12.240 9.224 -8.320 1.00 0.00 C ATOM 0 H MET A 101 13.274 5.121 -11.201 1.00 0.00 H new ATOM 0 HA MET A 101 15.926 5.062 -10.041 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.432 7.159 -10.710 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.702 6.883 -10.664 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.882 7.165 -8.110 1.00 0.00 H new ATOM 0 HG3 MET A 101 15.502 7.768 -8.399 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.677 10.140 -8.497 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.673 8.372 -8.694 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.412 9.104 -7.250 1.00 0.00 H new ATOM 1270 N LEU A 102 13.403 4.425 -8.052 1.00 0.00 N ATOM 1271 CA LEU A 102 13.009 4.066 -6.681 1.00 0.00 C ATOM 1272 C LEU A 102 13.182 2.575 -6.356 1.00 0.00 C ATOM 1273 O LEU A 102 13.643 2.272 -5.261 1.00 0.00 O ATOM 1274 CB LEU A 102 11.575 4.575 -6.427 1.00 0.00 C ATOM 1275 CG LEU A 102 11.471 6.113 -6.481 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.022 6.565 -6.611 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.094 6.774 -5.251 1.00 0.00 C ATOM 0 H LEU A 102 12.629 4.383 -8.715 1.00 0.00 H new ATOM 0 HA LEU A 102 13.692 4.560 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.904 4.143 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.238 4.226 -5.451 1.00 0.00 H new ATOM 0 HG LEU A 102 12.028 6.427 -7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.982 7.654 -6.646 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.594 6.156 -7.526 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.451 6.209 -5.753 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.998 7.857 -5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.580 6.430 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.149 6.507 -5.190 1.00 0.00 H new ATOM 1289 N ARG A 103 12.933 1.655 -7.299 1.00 0.00 N ATOM 1290 CA ARG A 103 13.081 0.183 -7.147 1.00 0.00 C ATOM 1291 C ARG A 103 14.493 -0.274 -6.769 1.00 0.00 C ATOM 1292 O ARG A 103 14.686 -1.314 -6.141 1.00 0.00 O ATOM 1293 CB ARG A 103 12.584 -0.517 -8.432 1.00 0.00 C ATOM 1294 CG ARG A 103 13.381 -0.278 -9.728 1.00 0.00 C ATOM 1295 CD ARG A 103 14.603 -1.175 -9.972 1.00 0.00 C ATOM 1296 NE ARG A 103 15.200 -0.883 -11.289 1.00 0.00 N ATOM 1297 CZ ARG A 103 16.192 -1.514 -11.887 1.00 0.00 C ATOM 1298 NH1 ARG A 103 16.815 -2.527 -11.353 1.00 0.00 N ATOM 1299 NH2 ARG A 103 16.561 -1.105 -13.062 1.00 0.00 N ATOM 0 H ARG A 103 12.609 1.917 -8.230 1.00 0.00 H new ATOM 0 HA ARG A 103 12.463 -0.111 -6.299 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.563 -1.590 -8.243 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.555 -0.205 -8.608 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.700 -0.397 -10.571 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.716 0.759 -9.733 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.342 -1.015 -9.187 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.308 -2.223 -9.924 1.00 0.00 H new ATOM 0 HE ARG A 103 14.797 -0.097 -11.799 1.00 0.00 H new ATOM 0 HH11 ARG A 103 16.541 -2.866 -10.431 1.00 0.00 H new ATOM 0 HH12 ARG A 103 17.577 -2.981 -11.857 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.087 -0.315 -13.499 1.00 0.00 H new ATOM 0 HH22 ARG A 103 17.325 -1.574 -13.548 1.00 0.00 H new ATOM 1313 N LYS A 104 15.477 0.535 -7.167 1.00 0.00 N ATOM 1314 CA LYS A 104 16.903 0.417 -6.817 1.00 0.00 C ATOM 1315 C LYS A 104 17.182 0.772 -5.346 1.00 0.00 C ATOM 1316 O LYS A 104 18.148 0.277 -4.764 1.00 0.00 O ATOM 1317 CB LYS A 104 17.666 1.315 -7.806 1.00 0.00 C ATOM 1318 CG LYS A 104 19.182 1.373 -7.567 1.00 0.00 C ATOM 1319 CD LYS A 104 19.935 2.028 -8.736 1.00 0.00 C ATOM 1320 CE LYS A 104 19.385 3.421 -9.086 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.215 4.086 -10.130 1.00 0.00 N ATOM 0 H LYS A 104 15.296 1.334 -7.775 1.00 0.00 H new ATOM 0 HA LYS A 104 17.239 -0.616 -6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.483 0.957 -8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.262 2.326 -7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.382 1.930 -6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.562 0.363 -7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.992 2.112 -8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.868 1.384 -9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.358 3.330 -9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.361 4.040 -8.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.818 5.023 -10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 21.189 4.194 -9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.217 3.506 -10.993 1.00 0.00 H new ATOM 1335 N ASN A 105 16.330 1.609 -4.746 1.00 0.00 N ATOM 1336 CA ASN A 105 16.430 2.074 -3.361 1.00 0.00 C ATOM 1337 C ASN A 105 15.541 1.264 -2.388 1.00 0.00 C ATOM 1338 O ASN A 105 16.085 0.484 -1.603 1.00 0.00 O ATOM 1339 CB ASN A 105 16.191 3.592 -3.322 1.00 0.00 C ATOM 1340 CG ASN A 105 17.357 4.374 -3.914 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.345 4.638 -3.245 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.308 4.762 -5.171 1.00 0.00 N ATOM 0 H ASN A 105 15.521 1.996 -5.232 1.00 0.00 H new ATOM 0 HA ASN A 105 17.439 1.889 -2.993 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.280 3.829 -3.872 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.031 3.906 -2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.089 5.277 -5.577 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.489 4.547 -5.739 1.00 0.00 H new ATOM 1349 N LEU A 106 14.203 1.404 -2.430 1.00 0.00 N ATOM 1350 CA LEU A 106 13.266 0.552 -1.674 1.00 0.00 C ATOM 1351 C LEU A 106 12.712 -0.603 -2.532 1.00 0.00 C ATOM 1352 O LEU A 106 12.673 -0.517 -3.759 1.00 0.00 O ATOM 1353 CB LEU A 106 12.161 1.402 -1.000 1.00 0.00 C ATOM 1354 CG LEU A 106 10.880 1.674 -1.819 1.00 0.00 C ATOM 1355 CD1 LEU A 106 9.857 2.424 -0.975 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.131 2.509 -3.071 1.00 0.00 C ATOM 0 H LEU A 106 13.739 2.116 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 106 13.822 0.072 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.871 0.905 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.595 2.363 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 106 10.513 0.692 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.961 2.607 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.598 1.826 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.279 3.376 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.191 2.663 -3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.550 3.474 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.832 1.987 -3.722 1.00 0.00 H new ATOM 1368 N VAL A 107 12.215 -1.666 -1.891 1.00 0.00 N ATOM 1369 CA VAL A 107 11.505 -2.755 -2.589 1.00 0.00 C ATOM 1370 C VAL A 107 10.109 -2.263 -2.996 1.00 0.00 C ATOM 1371 O VAL A 107 9.230 -2.089 -2.149 1.00 0.00 O ATOM 1372 CB VAL A 107 11.439 -4.038 -1.733 1.00 0.00 C ATOM 1373 CG1 VAL A 107 10.733 -5.177 -2.483 1.00 0.00 C ATOM 1374 CG2 VAL A 107 12.846 -4.534 -1.367 1.00 0.00 C ATOM 0 H VAL A 107 12.290 -1.800 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 107 12.060 -3.023 -3.488 1.00 0.00 H new ATOM 0 HB VAL A 107 10.881 -3.777 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 107 10.704 -6.065 -1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.716 -4.874 -2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 107 11.278 -5.401 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 107 12.767 -5.439 -0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 107 13.403 -4.752 -2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 107 13.367 -3.763 -0.799 1.00 0.00 H new ATOM 1384 N THR A 108 9.908 -2.014 -4.294 1.00 0.00 N ATOM 1385 CA THR A 108 8.621 -1.587 -4.876 1.00 0.00 C ATOM 1386 C THR A 108 8.449 -2.053 -6.329 1.00 0.00 C ATOM 1387 O THR A 108 9.363 -2.616 -6.940 1.00 0.00 O ATOM 1388 CB THR A 108 8.423 -0.063 -4.735 1.00 0.00 C ATOM 1389 OG1 THR A 108 7.062 0.256 -4.944 1.00 0.00 O ATOM 1390 CG2 THR A 108 9.271 0.801 -5.671 1.00 0.00 C ATOM 0 H THR A 108 10.649 -2.104 -4.989 1.00 0.00 H new ATOM 0 HA THR A 108 7.835 -2.078 -4.303 1.00 0.00 H new ATOM 0 HB THR A 108 8.756 0.171 -3.724 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.935 1.223 -4.853 1.00 0.00 H new ATOM 0 HG21 THR A 108 9.055 1.854 -5.490 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.328 0.610 -5.485 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.035 0.555 -6.706 1.00 0.00 H new ATOM 1398 N LEU A 109 7.255 -1.824 -6.873 1.00 0.00 N ATOM 1399 CA LEU A 109 6.863 -2.156 -8.248 1.00 0.00 C ATOM 1400 C LEU A 109 7.386 -1.112 -9.254 1.00 0.00 C ATOM 1401 O LEU A 109 7.452 0.076 -8.940 1.00 0.00 O ATOM 1402 CB LEU A 109 5.327 -2.276 -8.337 1.00 0.00 C ATOM 1403 CG LEU A 109 4.681 -3.324 -7.408 1.00 0.00 C ATOM 1404 CD1 LEU A 109 3.162 -3.294 -7.581 1.00 0.00 C ATOM 1405 CD2 LEU A 109 5.167 -4.746 -7.698 1.00 0.00 C ATOM 0 H LEU A 109 6.500 -1.383 -6.348 1.00 0.00 H new ATOM 0 HA LEU A 109 7.314 -3.113 -8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 109 4.892 -1.302 -8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.059 -2.516 -9.366 1.00 0.00 H new ATOM 0 HG LEU A 109 4.970 -3.065 -6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.706 -4.035 -6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.786 -2.303 -7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.909 -3.523 -8.616 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.681 -5.443 -7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 109 4.920 -5.012 -8.726 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.247 -4.797 -7.560 1.00 0.00 H new ATOM 1417 N ALA A 110 7.714 -1.547 -10.478 1.00 0.00 N ATOM 1418 CA ALA A 110 8.159 -0.672 -11.576 1.00 0.00 C ATOM 1419 C ALA A 110 7.767 -1.143 -12.977 1.00 0.00 C ATOM 1420 O ALA A 110 8.170 -0.565 -13.991 1.00 0.00 O ATOM 1421 CB ALA A 110 9.677 -0.557 -11.513 1.00 0.00 C ATOM 0 H ALA A 110 7.678 -2.532 -10.739 1.00 0.00 H new ATOM 0 HA ALA A 110 7.654 0.282 -11.427 1.00 0.00 H new ATOM 0 HB1 ALA A 110 10.027 0.088 -12.319 1.00 0.00 H new ATOM 0 HB2 ALA A 110 9.970 -0.130 -10.554 1.00 0.00 H new ATOM 0 HB3 ALA A 110 10.122 -1.546 -11.621 1.00 0.00 H new ATOM 1427 N THR A 111 6.977 -2.206 -13.016 1.00 0.00 N ATOM 1428 CA THR A 111 6.460 -2.837 -14.230 1.00 0.00 C ATOM 1429 C THR A 111 7.526 -3.068 -15.309 1.00 0.00 C ATOM 1430 O THR A 111 8.441 -3.884 -15.130 1.00 0.00 O ATOM 1431 CB THR A 111 5.290 -1.986 -14.730 1.00 0.00 C ATOM 1432 OG1 THR A 111 4.212 -2.101 -13.818 1.00 0.00 O ATOM 1433 CG2 THR A 111 4.761 -2.362 -16.117 1.00 0.00 C ATOM 0 H THR A 111 6.663 -2.676 -12.167 1.00 0.00 H new ATOM 0 HA THR A 111 6.118 -3.844 -13.990 1.00 0.00 H new ATOM 0 HB THR A 111 5.683 -0.972 -14.804 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.459 -1.557 -14.131 1.00 0.00 H new ATOM 0 HG21 THR A 111 3.934 -1.703 -16.382 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.559 -2.256 -16.852 1.00 0.00 H new ATOM 0 HG23 THR A 111 4.412 -3.395 -16.106 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 49H A 200 -1.344 13.640 -11.707 1.00 0.00 N HETATM 1443 CG1 49H A 200 1.832 13.338 -10.990 1.00 0.00 C HETATM 1444 CG2 49H A 200 -0.538 11.684 -10.237 1.00 0.00 C HETATM 1445 CG3 49H A 200 -1.059 15.308 -13.441 1.00 0.00 C HETATM 1446 CD1 49H A 200 1.818 12.706 -12.239 1.00 0.00 C HETATM 1447 CD2 49H A 200 3.021 13.356 -10.256 1.00 0.00 C HETATM 1448 CD3 49H A 200 -0.800 10.761 -11.256 1.00 0.00 C HETATM 1449 CD4 49H A 200 -0.138 11.216 -8.982 1.00 0.00 C HETATM 1450 CD5 49H A 200 -2.183 14.837 -14.139 1.00 0.00 C HETATM 1451 CD6 49H A 200 -0.265 16.284 -14.071 1.00 0.00 C HETATM 1452 CE1 49H A 200 2.972 12.110 -12.744 1.00 0.00 C HETATM 1453 CE2 49H A 200 4.178 12.766 -10.763 1.00 0.00 C HETATM 1454 CE3 49H A 200 -0.655 9.395 -11.019 1.00 0.00 C HETATM 1455 CE4 49H A 200 0.000 9.849 -8.745 1.00 0.00 C HETATM 1456 CE5 49H A 200 -2.534 15.351 -15.385 1.00 0.00 C HETATM 1457 CE6 49H A 200 -0.640 16.814 -15.304 1.00 0.00 C HETATM 1458 CZ1 49H A 200 4.152 12.148 -12.009 1.00 0.00 C HETATM 1459 CZ2 49H A 200 -0.257 8.937 -9.766 1.00 0.00 C HETATM 1460 CZ3 49H A 200 -1.767 16.356 -15.967 1.00 0.00 C HETATM 1461 CL1 49H A 200 5.582 11.428 -12.654 1.00 0.00 CL HETATM 1462 CL2 49H A 200 -0.989 8.258 -12.277 1.00 0.00 CL HETATM 1463 CM1 49H A 200 -3.276 16.595 -17.927 1.00 0.00 C HETATM 1464 CM2 49H A 200 3.291 16.433 -13.027 1.00 0.00 C HETATM 1465 CM3 49H A 200 2.530 16.336 -15.424 1.00 0.00 C HETATM 1466 C1 49H A 200 -0.844 20.005 -10.279 1.00 0.00 C HETATM 1467 N1 49H A 200 -2.153 19.744 -10.358 1.00 0.00 N HETATM 1468 O1 49H A 200 -0.495 21.165 -10.175 1.00 0.00 O HETATM 1469 C2 49H A 200 -2.699 18.390 -10.436 1.00 0.00 C HETATM 1470 N2 49H A 200 -0.346 17.484 -10.760 1.00 0.00 N HETATM 1471 C3 49H A 200 -1.766 17.424 -11.188 1.00 0.00 C HETATM 1472 N3 49H A 200 0.203 15.211 -11.187 1.00 0.00 N HETATM 1473 O3 49H A 200 -2.061 16.903 -17.201 1.00 0.00 O HETATM 1474 C4 49H A 200 0.135 18.834 -10.322 1.00 0.00 C HETATM 1475 C5 49H A 200 0.513 16.424 -10.667 1.00 0.00 C HETATM 1476 O5 49H A 200 1.550 16.562 -10.043 1.00 0.00 O HETATM 1477 C6 49H A 200 -0.792 14.734 -12.083 1.00 0.00 C HETATM 1478 O6 49H A 200 0.949 16.691 -13.565 1.00 0.00 O HETATM 1479 C7 49H A 200 -0.717 13.189 -10.436 1.00 0.00 C HETATM 1480 C8 49H A 200 0.590 14.024 -10.412 1.00 0.00 C HETATM 1481 C9 49H A 200 2.160 15.998 -13.966 1.00 0.00 C