USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 972 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 34 TYR OH : rot -117:sc= 0.208 USER MOD Set 1.2: A 53 HIS : no HD1:sc= -0.516 K(o=-0.31,f=-1.9) USER MOD Set 2.1: A 10 GLN : amide:sc= 0.357 K(o=0.9,f=-2.4) USER MOD Set 2.2: A 11 LYS NZ :NH3+ -166:sc= 0.539 (180deg=0) USER MOD Set 3.1: A 1 MET N :NH3+ -177:sc= -0.095 (180deg=-0.113) USER MOD Set 3.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : A 12 GLN : amide:sc= -3.83 K(o=-3.8,f=-9.6!) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.448 USER MOD Single : A 17 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.036) USER MOD Single : A 25 MET CE :methyl -170:sc= -0.587 (180deg=-0.784) USER MOD Single : A 32 CYS SG : rot -139:sc= -2.02! USER MOD Single : A 33 GLN : amide:sc= 0.282 K(o=0.28,f=-0.44) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -1.86! C(o=-5!,f=-1.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 74 ASN : amide:sc= -0.0149 K(o=-0.015,f=-2.8!) USER MOD Single : A 79 HIS : no HE2:sc= -0.816 K(o=-0.82,f=-2.3!) USER MOD Single : A 81 THR OG1 : rot -64:sc= 0.156 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.7) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 82:sc= -0.497 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.0146 X(o=-0.015,f=-0.2) USER MOD Single : A 108 LYS NZ :NH3+ -164:sc= 0.0975 (180deg=0.0521) USER MOD Single : A 112 LYS NZ :NH3+ 176:sc= -0.614 (180deg=-0.625) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= -0.0346 X(o=-0.035,f=-0.035) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.628 0.069 -1.247 1.00 0.00 N ATOM 2 CA MET A 1 2.070 -0.062 -1.598 1.00 0.00 C ATOM 3 C MET A 1 2.440 -1.544 -1.820 1.00 0.00 C ATOM 4 O MET A 1 3.207 -1.866 -2.731 1.00 0.00 O ATOM 5 CB MET A 1 2.963 0.583 -0.493 1.00 0.00 C ATOM 6 CG MET A 1 2.851 -0.069 0.890 1.00 0.00 C ATOM 7 SD MET A 1 3.855 0.749 2.149 1.00 0.00 S ATOM 8 CE MET A 1 3.543 -0.305 3.571 1.00 0.00 C ATOM 0 H1 MET A 1 0.384 1.075 -1.151 1.00 0.00 H new ATOM 0 H2 MET A 1 0.048 -0.358 -1.997 1.00 0.00 H new ATOM 0 H3 MET A 1 0.444 -0.419 -0.347 1.00 0.00 H new ATOM 0 HA MET A 1 2.252 0.473 -2.530 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.003 0.540 -0.816 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.701 1.637 -0.404 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.808 -0.060 1.205 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.153 -1.114 0.817 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.096 0.072 4.431 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.477 -0.305 3.797 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.867 -1.322 3.348 1.00 0.00 H new ATOM 20 N ASN A 2 1.870 -2.436 -0.984 1.00 0.00 N ATOM 21 CA ASN A 2 2.093 -3.897 -1.050 1.00 0.00 C ATOM 22 C ASN A 2 0.737 -4.619 -0.929 1.00 0.00 C ATOM 23 O ASN A 2 0.674 -5.788 -0.536 1.00 0.00 O ATOM 24 CB ASN A 2 3.057 -4.359 0.086 1.00 0.00 C ATOM 25 CG ASN A 2 4.483 -3.792 0.020 1.00 0.00 C ATOM 26 OD1 ASN A 2 5.106 -3.542 1.054 1.00 0.00 O ATOM 27 ND2 ASN A 2 5.023 -3.616 -1.177 1.00 0.00 N ATOM 0 H ASN A 2 1.235 -2.160 -0.235 1.00 0.00 H new ATOM 0 HA ASN A 2 2.556 -4.147 -2.005 1.00 0.00 H new ATOM 0 HB2 ASN A 2 2.619 -4.081 1.045 1.00 0.00 H new ATOM 0 HB3 ASN A 2 3.117 -5.447 0.067 1.00 0.00 H new ATOM 0 HD21 ASN A 2 5.977 -3.265 -1.259 1.00 0.00 H new ATOM 0 HD22 ASN A 2 4.484 -3.831 -2.016 1.00 0.00 H new ATOM 34 N SER A 3 -0.341 -3.905 -1.319 1.00 0.00 N ATOM 35 CA SER A 3 -1.730 -4.373 -1.184 1.00 0.00 C ATOM 36 C SER A 3 -1.955 -5.658 -2.006 1.00 0.00 C ATOM 37 O SER A 3 -2.434 -6.656 -1.479 1.00 0.00 O ATOM 38 CB SER A 3 -2.688 -3.251 -1.644 1.00 0.00 C ATOM 39 OG SER A 3 -2.361 -2.010 -1.022 1.00 0.00 O ATOM 0 H SER A 3 -0.266 -2.979 -1.740 1.00 0.00 H new ATOM 0 HA SER A 3 -1.931 -4.611 -0.140 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.634 -3.144 -2.727 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.715 -3.523 -1.402 1.00 0.00 H new ATOM 0 HG SER A 3 -2.980 -1.316 -1.331 1.00 0.00 H new ATOM 45 N GLU A 4 -1.519 -5.624 -3.285 1.00 0.00 N ATOM 46 CA GLU A 4 -1.647 -6.764 -4.238 1.00 0.00 C ATOM 47 C GLU A 4 -0.773 -7.980 -3.848 1.00 0.00 C ATOM 48 O GLU A 4 -0.847 -9.031 -4.495 1.00 0.00 O ATOM 49 CB GLU A 4 -1.299 -6.322 -5.695 1.00 0.00 C ATOM 50 CG GLU A 4 0.179 -5.913 -5.946 1.00 0.00 C ATOM 51 CD GLU A 4 0.551 -4.528 -5.379 1.00 0.00 C ATOM 52 OE1 GLU A 4 0.288 -3.513 -6.052 1.00 0.00 O ATOM 53 OE2 GLU A 4 1.064 -4.444 -4.244 1.00 0.00 O ATOM 0 H GLU A 4 -1.066 -4.806 -3.692 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.690 -7.076 -4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.549 -7.139 -6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.939 -5.481 -5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.833 -6.664 -5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.370 -5.918 -7.019 1.00 0.00 H new ATOM 60 N ILE A 5 0.086 -7.813 -2.830 1.00 0.00 N ATOM 61 CA ILE A 5 0.922 -8.900 -2.277 1.00 0.00 C ATOM 62 C ILE A 5 0.209 -9.541 -1.068 1.00 0.00 C ATOM 63 O ILE A 5 0.356 -10.739 -0.795 1.00 0.00 O ATOM 64 CB ILE A 5 2.325 -8.351 -1.827 1.00 0.00 C ATOM 65 CG1 ILE A 5 2.955 -7.429 -2.923 1.00 0.00 C ATOM 66 CG2 ILE A 5 3.287 -9.495 -1.440 1.00 0.00 C ATOM 67 CD1 ILE A 5 3.159 -8.063 -4.290 1.00 0.00 C ATOM 0 H ILE A 5 0.224 -6.917 -2.362 1.00 0.00 H new ATOM 0 HA ILE A 5 1.073 -9.648 -3.055 1.00 0.00 H new ATOM 0 HB ILE A 5 2.163 -7.745 -0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.318 -6.552 -3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.920 -7.075 -2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.246 -9.076 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.861 -10.065 -0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.434 -10.152 -2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.601 -7.332 -4.968 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.825 -8.921 -4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.198 -8.391 -4.686 1.00 0.00 H new ATOM 79 N GLU A 6 -0.569 -8.714 -0.352 1.00 0.00 N ATOM 80 CA GLU A 6 -1.343 -9.144 0.823 1.00 0.00 C ATOM 81 C GLU A 6 -2.660 -9.818 0.407 1.00 0.00 C ATOM 82 O GLU A 6 -3.106 -10.746 1.075 1.00 0.00 O ATOM 83 CB GLU A 6 -1.621 -7.929 1.740 1.00 0.00 C ATOM 84 CG GLU A 6 -0.349 -7.230 2.242 1.00 0.00 C ATOM 85 CD GLU A 6 -0.639 -5.997 3.104 1.00 0.00 C ATOM 86 OE1 GLU A 6 -0.791 -4.888 2.543 1.00 0.00 O ATOM 87 OE2 GLU A 6 -0.732 -6.134 4.346 1.00 0.00 O ATOM 0 H GLU A 6 -0.679 -7.724 -0.573 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.755 -9.880 1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.231 -7.207 1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.206 -8.259 2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.243 -7.939 2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.257 -6.933 1.386 1.00 0.00 H new ATOM 94 N LEU A 7 -3.253 -9.361 -0.721 1.00 0.00 N ATOM 95 CA LEU A 7 -4.553 -9.878 -1.211 1.00 0.00 C ATOM 96 C LEU A 7 -4.514 -11.418 -1.475 1.00 0.00 C ATOM 97 O LEU A 7 -5.428 -12.113 -1.027 1.00 0.00 O ATOM 98 CB LEU A 7 -5.046 -9.117 -2.482 1.00 0.00 C ATOM 99 CG LEU A 7 -5.316 -7.588 -2.325 1.00 0.00 C ATOM 100 CD1 LEU A 7 -5.791 -6.949 -3.652 1.00 0.00 C ATOM 101 CD2 LEU A 7 -6.306 -7.306 -1.176 1.00 0.00 C ATOM 0 H LEU A 7 -2.850 -8.633 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.271 -9.695 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.303 -9.252 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.965 -9.591 -2.827 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.368 -7.118 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.968 -5.884 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.025 -7.084 -4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.715 -7.428 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.472 -6.232 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.253 -7.805 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.893 -7.682 -0.240 1.00 0.00 H new ATOM 113 N PRO A 8 -3.469 -11.985 -2.196 1.00 0.00 N ATOM 114 CA PRO A 8 -3.314 -13.447 -2.325 1.00 0.00 C ATOM 115 C PRO A 8 -3.236 -14.149 -0.962 1.00 0.00 C ATOM 116 O PRO A 8 -4.156 -14.884 -0.592 1.00 0.00 O ATOM 117 CB PRO A 8 -1.998 -13.631 -3.150 1.00 0.00 C ATOM 118 CG PRO A 8 -1.331 -12.296 -3.148 1.00 0.00 C ATOM 119 CD PRO A 8 -2.427 -11.277 -2.977 1.00 0.00 C ATOM 0 HA PRO A 8 -4.175 -13.902 -2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.357 -14.390 -2.701 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.216 -13.959 -4.167 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.605 -12.225 -2.338 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.788 -12.131 -4.079 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.069 -10.392 -2.451 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.811 -10.941 -3.940 1.00 0.00 H new ATOM 127 N VAL A 9 -2.189 -13.826 -0.186 1.00 0.00 N ATOM 128 CA VAL A 9 -1.828 -14.582 1.031 1.00 0.00 C ATOM 129 C VAL A 9 -2.936 -14.542 2.113 1.00 0.00 C ATOM 130 O VAL A 9 -3.069 -15.473 2.911 1.00 0.00 O ATOM 131 CB VAL A 9 -0.456 -14.086 1.623 1.00 0.00 C ATOM 132 CG1 VAL A 9 0.657 -14.132 0.545 1.00 0.00 C ATOM 133 CG2 VAL A 9 -0.570 -12.673 2.255 1.00 0.00 C ATOM 0 H VAL A 9 -1.570 -13.039 -0.380 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.720 -15.623 0.725 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.182 -14.770 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.596 -13.785 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.777 -15.155 0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.382 -13.488 -0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.400 -12.372 2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.890 -11.959 1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.301 -12.694 3.064 1.00 0.00 H new ATOM 143 N GLN A 10 -3.744 -13.464 2.097 1.00 0.00 N ATOM 144 CA GLN A 10 -4.859 -13.271 3.040 1.00 0.00 C ATOM 145 C GLN A 10 -6.018 -14.223 2.678 1.00 0.00 C ATOM 146 O GLN A 10 -6.434 -15.040 3.502 1.00 0.00 O ATOM 147 CB GLN A 10 -5.303 -11.770 3.034 1.00 0.00 C ATOM 148 CG GLN A 10 -6.187 -11.305 4.223 1.00 0.00 C ATOM 149 CD GLN A 10 -7.688 -11.542 4.050 1.00 0.00 C ATOM 150 OE1 GLN A 10 -8.403 -10.693 3.522 1.00 0.00 O ATOM 151 NE2 GLN A 10 -8.172 -12.688 4.487 1.00 0.00 N ATOM 0 H GLN A 10 -3.640 -12.702 1.427 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.539 -13.514 4.053 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.407 -11.149 3.011 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.847 -11.579 2.109 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.856 -11.820 5.125 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.020 -10.240 4.385 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.551 -13.372 4.921 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.167 -12.891 4.391 1.00 0.00 H new ATOM 160 N LYS A 11 -6.486 -14.144 1.414 1.00 0.00 N ATOM 161 CA LYS A 11 -7.673 -14.903 0.942 1.00 0.00 C ATOM 162 C LYS A 11 -7.389 -16.417 0.877 1.00 0.00 C ATOM 163 O LYS A 11 -8.296 -17.234 1.060 1.00 0.00 O ATOM 164 CB LYS A 11 -8.144 -14.390 -0.444 1.00 0.00 C ATOM 165 CG LYS A 11 -8.441 -12.873 -0.503 1.00 0.00 C ATOM 166 CD LYS A 11 -9.449 -12.410 0.571 1.00 0.00 C ATOM 167 CE LYS A 11 -9.731 -10.903 0.513 1.00 0.00 C ATOM 168 NZ LYS A 11 -10.632 -10.470 1.608 1.00 0.00 N ATOM 0 H LYS A 11 -6.059 -13.559 0.695 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.470 -14.738 1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.379 -14.626 -1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.043 -14.934 -0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.509 -12.321 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.831 -12.623 -1.490 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.384 -12.955 0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.064 -12.665 1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.791 -10.354 0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.181 -10.654 -0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.989 -9.514 1.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.432 -11.130 1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.108 -10.462 2.506 1.00 0.00 H new ATOM 182 N GLN A 12 -6.120 -16.761 0.626 1.00 0.00 N ATOM 183 CA GLN A 12 -5.651 -18.157 0.529 1.00 0.00 C ATOM 184 C GLN A 12 -5.554 -18.812 1.904 1.00 0.00 C ATOM 185 O GLN A 12 -5.816 -20.003 2.033 1.00 0.00 O ATOM 186 CB GLN A 12 -4.281 -18.207 -0.148 1.00 0.00 C ATOM 187 CG GLN A 12 -4.307 -17.843 -1.642 1.00 0.00 C ATOM 188 CD GLN A 12 -2.923 -17.662 -2.235 1.00 0.00 C ATOM 189 OE1 GLN A 12 -2.745 -16.890 -3.167 1.00 0.00 O ATOM 190 NE2 GLN A 12 -1.935 -18.401 -1.724 1.00 0.00 N ATOM 0 H GLN A 12 -5.379 -16.075 0.482 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.380 -18.707 -0.066 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.606 -17.525 0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.868 -19.210 -0.036 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.831 -18.625 -2.191 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.876 -16.923 -1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.121 -19.034 -0.946 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.994 -18.332 -2.111 1.00 0.00 H new ATOM 199 N LEU A 13 -5.139 -18.037 2.919 1.00 0.00 N ATOM 200 CA LEU A 13 -5.097 -18.517 4.310 1.00 0.00 C ATOM 201 C LEU A 13 -6.499 -18.904 4.737 1.00 0.00 C ATOM 202 O LEU A 13 -6.713 -19.993 5.295 1.00 0.00 O ATOM 203 CB LEU A 13 -4.528 -17.424 5.253 1.00 0.00 C ATOM 204 CG LEU A 13 -4.241 -17.816 6.749 1.00 0.00 C ATOM 205 CD1 LEU A 13 -5.493 -18.027 7.628 1.00 0.00 C ATOM 206 CD2 LEU A 13 -3.268 -19.015 6.836 1.00 0.00 C ATOM 0 H LEU A 13 -4.827 -17.073 2.802 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.440 -19.385 4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.597 -17.060 4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.227 -16.588 5.255 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.759 -16.939 7.180 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.187 -18.294 8.640 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.077 -17.107 7.656 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.100 -18.830 7.209 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.089 -19.263 7.882 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.705 -19.875 6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.324 -18.753 6.358 1.00 0.00 H new ATOM 218 N GLU A 14 -7.442 -17.987 4.470 1.00 0.00 N ATOM 219 CA GLU A 14 -8.846 -18.190 4.806 1.00 0.00 C ATOM 220 C GLU A 14 -9.354 -19.468 4.118 1.00 0.00 C ATOM 221 O GLU A 14 -9.967 -20.325 4.743 1.00 0.00 O ATOM 222 CB GLU A 14 -9.698 -16.979 4.356 1.00 0.00 C ATOM 223 CG GLU A 14 -9.280 -15.628 4.961 1.00 0.00 C ATOM 224 CD GLU A 14 -9.365 -15.577 6.495 1.00 0.00 C ATOM 225 OE1 GLU A 14 -10.452 -15.276 7.032 1.00 0.00 O ATOM 226 OE2 GLU A 14 -8.347 -15.835 7.169 1.00 0.00 O ATOM 0 H GLU A 14 -7.248 -17.093 4.019 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.938 -18.291 5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.650 -16.904 3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.739 -17.170 4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.257 -15.406 4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.913 -14.844 4.546 1.00 0.00 H new ATOM 233 N ALA A 15 -8.989 -19.578 2.831 1.00 0.00 N ATOM 234 CA ALA A 15 -9.321 -20.707 1.953 1.00 0.00 C ATOM 235 C ALA A 15 -8.630 -22.021 2.383 1.00 0.00 C ATOM 236 O ALA A 15 -9.120 -23.104 2.051 1.00 0.00 O ATOM 237 CB ALA A 15 -8.949 -20.353 0.504 1.00 0.00 C ATOM 0 H ALA A 15 -8.438 -18.861 2.360 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.394 -20.882 2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.195 -21.190 -0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.508 -19.471 0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.881 -20.146 0.443 1.00 0.00 H new ATOM 243 N TYR A 16 -7.478 -21.920 3.102 1.00 0.00 N ATOM 244 CA TYR A 16 -6.684 -23.105 3.509 1.00 0.00 C ATOM 245 C TYR A 16 -7.465 -23.944 4.547 1.00 0.00 C ATOM 246 O TYR A 16 -7.483 -25.180 4.478 1.00 0.00 O ATOM 247 CB TYR A 16 -5.308 -22.647 4.072 1.00 0.00 C ATOM 248 CG TYR A 16 -4.315 -23.773 4.427 1.00 0.00 C ATOM 249 CD1 TYR A 16 -3.941 -24.731 3.483 1.00 0.00 C ATOM 250 CD2 TYR A 16 -3.729 -23.858 5.699 1.00 0.00 C ATOM 251 CE1 TYR A 16 -3.032 -25.726 3.787 1.00 0.00 C ATOM 252 CE2 TYR A 16 -2.819 -24.857 6.007 1.00 0.00 C ATOM 253 CZ TYR A 16 -2.474 -25.788 5.045 1.00 0.00 C ATOM 254 OH TYR A 16 -1.554 -26.779 5.334 1.00 0.00 O ATOM 0 H TYR A 16 -7.083 -21.031 3.409 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.505 -23.737 2.639 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.837 -21.992 3.339 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.484 -22.049 4.966 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.372 -24.694 2.493 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.992 -23.131 6.453 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.759 -26.455 3.039 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.382 -24.908 6.993 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.253 -26.686 6.262 1.00 0.00 H new ATOM 264 N ASN A 17 -8.132 -23.243 5.483 1.00 0.00 N ATOM 265 CA ASN A 17 -8.979 -23.872 6.526 1.00 0.00 C ATOM 266 C ASN A 17 -10.450 -23.983 6.052 1.00 0.00 C ATOM 267 O ASN A 17 -11.187 -24.862 6.510 1.00 0.00 O ATOM 268 CB ASN A 17 -8.876 -23.077 7.857 1.00 0.00 C ATOM 269 CG ASN A 17 -9.354 -21.623 7.756 1.00 0.00 C ATOM 270 OD1 ASN A 17 -10.526 -21.321 7.980 1.00 0.00 O ATOM 271 ND2 ASN A 17 -8.449 -20.712 7.410 1.00 0.00 N ATOM 0 H ASN A 17 -8.102 -22.225 5.541 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.614 -24.883 6.704 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.463 -23.589 8.620 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.839 -23.085 8.193 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.719 -19.732 7.324 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.485 -20.993 7.231 1.00 0.00 H new ATOM 278 N ALA A 18 -10.861 -23.090 5.122 1.00 0.00 N ATOM 279 CA ALA A 18 -12.236 -23.076 4.546 1.00 0.00 C ATOM 280 C ALA A 18 -12.384 -24.083 3.395 1.00 0.00 C ATOM 281 O ALA A 18 -13.484 -24.256 2.854 1.00 0.00 O ATOM 282 CB ALA A 18 -12.605 -21.667 4.062 1.00 0.00 C ATOM 0 H ALA A 18 -10.255 -22.360 4.748 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.922 -23.372 5.340 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.612 -21.678 3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.567 -20.972 4.901 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.898 -21.349 3.296 1.00 0.00 H new ATOM 288 N ARG A 19 -11.251 -24.700 3.009 1.00 0.00 N ATOM 289 CA ARG A 19 -11.180 -25.829 2.055 1.00 0.00 C ATOM 290 C ARG A 19 -11.525 -25.415 0.604 1.00 0.00 C ATOM 291 O ARG A 19 -11.731 -26.281 -0.263 1.00 0.00 O ATOM 292 CB ARG A 19 -12.041 -27.039 2.536 1.00 0.00 C ATOM 293 CG ARG A 19 -11.747 -27.507 3.981 1.00 0.00 C ATOM 294 CD ARG A 19 -10.263 -27.839 4.220 1.00 0.00 C ATOM 295 NE ARG A 19 -10.028 -28.287 5.607 1.00 0.00 N ATOM 296 CZ ARG A 19 -9.788 -29.554 5.979 1.00 0.00 C ATOM 297 NH1 ARG A 19 -9.671 -30.517 5.071 1.00 0.00 N ATOM 298 NH2 ARG A 19 -9.646 -29.851 7.262 1.00 0.00 N ATOM 0 H ARG A 19 -10.335 -24.422 3.360 1.00 0.00 H new ATOM 0 HA ARG A 19 -10.139 -26.152 2.036 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.095 -26.770 2.463 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -11.878 -27.876 1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -12.055 -26.728 4.678 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -12.350 -28.388 4.201 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.946 -28.618 3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.654 -26.959 4.012 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.050 -27.578 6.340 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.764 -30.297 4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.489 -31.476 5.366 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.719 -29.117 7.967 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.464 -30.814 7.545 1.00 0.00 H new ATOM 312 N ASP A 20 -11.532 -24.096 0.339 1.00 0.00 N ATOM 313 CA ASP A 20 -11.789 -23.553 -1.002 1.00 0.00 C ATOM 314 C ASP A 20 -10.488 -23.558 -1.819 1.00 0.00 C ATOM 315 O ASP A 20 -9.676 -22.644 -1.704 1.00 0.00 O ATOM 316 CB ASP A 20 -12.373 -22.110 -0.920 1.00 0.00 C ATOM 317 CG ASP A 20 -13.752 -22.053 -0.237 1.00 0.00 C ATOM 318 OD1 ASP A 20 -14.766 -22.388 -0.892 1.00 0.00 O ATOM 319 OD2 ASP A 20 -13.835 -21.673 0.949 1.00 0.00 O ATOM 0 H ASP A 20 -11.360 -23.382 1.047 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.527 -24.184 -1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.677 -21.474 -0.373 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.456 -21.700 -1.927 1.00 0.00 H new ATOM 324 N ILE A 21 -10.295 -24.620 -2.619 1.00 0.00 N ATOM 325 CA ILE A 21 -9.167 -24.730 -3.569 1.00 0.00 C ATOM 326 C ILE A 21 -9.279 -23.647 -4.668 1.00 0.00 C ATOM 327 O ILE A 21 -8.260 -23.178 -5.177 1.00 0.00 O ATOM 328 CB ILE A 21 -9.087 -26.186 -4.200 1.00 0.00 C ATOM 329 CG1 ILE A 21 -8.655 -27.229 -3.118 1.00 0.00 C ATOM 330 CG2 ILE A 21 -8.139 -26.257 -5.433 1.00 0.00 C ATOM 331 CD1 ILE A 21 -7.200 -27.107 -2.676 1.00 0.00 C ATOM 0 H ILE A 21 -10.916 -25.429 -2.628 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.240 -24.562 -3.020 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.088 -26.430 -4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.298 -27.118 -2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.821 -28.232 -3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.124 -27.275 -5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.497 -25.578 -6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.131 -25.968 -5.134 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.983 -27.867 -1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.545 -27.249 -3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.031 -26.118 -2.251 1.00 0.00 H new ATOM 343 N ASP A 22 -10.530 -23.243 -4.995 1.00 0.00 N ATOM 344 CA ASP A 22 -10.797 -22.162 -5.973 1.00 0.00 C ATOM 345 C ASP A 22 -10.079 -20.857 -5.578 1.00 0.00 C ATOM 346 O ASP A 22 -9.407 -20.249 -6.405 1.00 0.00 O ATOM 347 CB ASP A 22 -12.326 -21.905 -6.119 1.00 0.00 C ATOM 348 CG ASP A 22 -13.070 -23.067 -6.806 1.00 0.00 C ATOM 349 OD1 ASP A 22 -12.918 -23.231 -8.038 1.00 0.00 O ATOM 350 OD2 ASP A 22 -13.807 -23.809 -6.125 1.00 0.00 O ATOM 0 H ASP A 22 -11.373 -23.652 -4.593 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.404 -22.492 -6.935 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.757 -21.739 -5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.482 -20.991 -6.693 1.00 0.00 H new ATOM 355 N ALA A 23 -10.192 -20.466 -4.297 1.00 0.00 N ATOM 356 CA ALA A 23 -9.535 -19.251 -3.755 1.00 0.00 C ATOM 357 C ALA A 23 -8.068 -19.524 -3.384 1.00 0.00 C ATOM 358 O ALA A 23 -7.208 -18.645 -3.528 1.00 0.00 O ATOM 359 CB ALA A 23 -10.321 -18.715 -2.547 1.00 0.00 C ATOM 0 H ALA A 23 -10.739 -20.978 -3.605 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.535 -18.488 -4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.828 -17.824 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.336 -18.464 -2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.357 -19.478 -1.769 1.00 0.00 H new ATOM 365 N PHE A 24 -7.789 -20.762 -2.937 1.00 0.00 N ATOM 366 CA PHE A 24 -6.429 -21.193 -2.549 1.00 0.00 C ATOM 367 C PHE A 24 -5.533 -21.383 -3.800 1.00 0.00 C ATOM 368 O PHE A 24 -4.337 -21.634 -3.671 1.00 0.00 O ATOM 369 CB PHE A 24 -6.488 -22.491 -1.690 1.00 0.00 C ATOM 370 CG PHE A 24 -5.155 -22.878 -1.042 1.00 0.00 C ATOM 371 CD1 PHE A 24 -4.634 -22.119 0.003 1.00 0.00 C ATOM 372 CD2 PHE A 24 -4.410 -23.969 -1.492 1.00 0.00 C ATOM 373 CE1 PHE A 24 -3.418 -22.433 0.578 1.00 0.00 C ATOM 374 CE2 PHE A 24 -3.196 -24.282 -0.912 1.00 0.00 C ATOM 375 CZ PHE A 24 -2.697 -23.514 0.119 1.00 0.00 C ATOM 0 H PHE A 24 -8.495 -21.491 -2.834 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.981 -20.409 -1.938 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.235 -22.361 -0.907 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.825 -23.314 -2.319 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.191 -21.270 0.370 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.787 -24.575 -2.303 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.032 -21.831 1.388 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.634 -25.133 -1.268 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.744 -23.759 0.565 1.00 0.00 H new ATOM 385 N MET A 25 -6.135 -21.320 -5.006 1.00 0.00 N ATOM 386 CA MET A 25 -5.384 -21.339 -6.282 1.00 0.00 C ATOM 387 C MET A 25 -5.644 -20.074 -7.135 1.00 0.00 C ATOM 388 O MET A 25 -4.850 -19.769 -8.028 1.00 0.00 O ATOM 389 CB MET A 25 -5.699 -22.644 -7.064 1.00 0.00 C ATOM 390 CG MET A 25 -4.935 -22.807 -8.389 1.00 0.00 C ATOM 391 SD MET A 25 -3.176 -22.416 -8.248 1.00 0.00 S ATOM 392 CE MET A 25 -2.622 -23.506 -6.942 1.00 0.00 C ATOM 0 H MET A 25 -7.146 -21.255 -5.124 1.00 0.00 H new ATOM 0 HA MET A 25 -4.319 -21.327 -6.048 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.473 -23.497 -6.424 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.768 -22.676 -7.272 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.046 -23.833 -8.741 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.385 -22.161 -9.143 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.609 -23.234 -6.646 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.288 -23.413 -6.084 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.631 -24.536 -7.299 1.00 0.00 H new ATOM 402 N ALA A 26 -6.710 -19.311 -6.811 1.00 0.00 N ATOM 403 CA ALA A 26 -7.150 -18.126 -7.610 1.00 0.00 C ATOM 404 C ALA A 26 -6.007 -17.132 -7.868 1.00 0.00 C ATOM 405 O ALA A 26 -5.718 -16.763 -9.010 1.00 0.00 O ATOM 406 CB ALA A 26 -8.307 -17.391 -6.904 1.00 0.00 C ATOM 0 H ALA A 26 -7.293 -19.490 -5.994 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.486 -18.513 -8.572 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.612 -16.532 -7.502 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.152 -18.070 -6.787 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.977 -17.051 -5.923 1.00 0.00 H new ATOM 412 N TRP A 27 -5.329 -16.778 -6.783 1.00 0.00 N ATOM 413 CA TRP A 27 -4.363 -15.674 -6.750 1.00 0.00 C ATOM 414 C TRP A 27 -2.937 -16.107 -7.161 1.00 0.00 C ATOM 415 O TRP A 27 -1.998 -15.312 -7.060 1.00 0.00 O ATOM 416 CB TRP A 27 -4.353 -15.097 -5.328 1.00 0.00 C ATOM 417 CG TRP A 27 -5.678 -14.546 -4.835 1.00 0.00 C ATOM 418 CD1 TRP A 27 -6.661 -15.214 -4.149 1.00 0.00 C ATOM 419 CD2 TRP A 27 -6.133 -13.191 -4.963 1.00 0.00 C ATOM 420 NE1 TRP A 27 -7.695 -14.360 -3.866 1.00 0.00 N ATOM 421 CE2 TRP A 27 -7.395 -13.115 -4.355 1.00 0.00 C ATOM 422 CE3 TRP A 27 -5.591 -12.038 -5.539 1.00 0.00 C ATOM 423 CZ2 TRP A 27 -8.128 -11.932 -4.304 1.00 0.00 C ATOM 424 CZ3 TRP A 27 -6.319 -10.865 -5.490 1.00 0.00 C ATOM 425 CH2 TRP A 27 -7.576 -10.817 -4.874 1.00 0.00 C ATOM 0 H TRP A 27 -5.432 -17.253 -5.886 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.672 -14.925 -7.479 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.026 -15.877 -4.641 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.610 -14.301 -5.283 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -6.625 -16.258 -3.873 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.551 -14.611 -3.371 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.621 -12.064 -6.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.098 -11.896 -3.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.912 -9.969 -5.935 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -8.119 -9.884 -4.848 1.00 0.00 H new ATOM 436 N TRP A 28 -2.784 -17.357 -7.624 1.00 0.00 N ATOM 437 CA TRP A 28 -1.481 -17.914 -8.052 1.00 0.00 C ATOM 438 C TRP A 28 -1.316 -17.725 -9.567 1.00 0.00 C ATOM 439 O TRP A 28 -2.301 -17.691 -10.306 1.00 0.00 O ATOM 440 CB TRP A 28 -1.384 -19.424 -7.694 1.00 0.00 C ATOM 441 CG TRP A 28 -1.549 -19.750 -6.219 1.00 0.00 C ATOM 442 CD1 TRP A 28 -2.600 -19.416 -5.412 1.00 0.00 C ATOM 443 CD2 TRP A 28 -0.657 -20.518 -5.391 1.00 0.00 C ATOM 444 NE1 TRP A 28 -2.409 -19.918 -4.165 1.00 0.00 N ATOM 445 CE2 TRP A 28 -1.233 -20.590 -4.117 1.00 0.00 C ATOM 446 CE3 TRP A 28 0.565 -21.146 -5.600 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -0.639 -21.260 -3.053 1.00 0.00 C ATOM 448 CZ3 TRP A 28 1.160 -21.811 -4.545 1.00 0.00 C ATOM 449 CH2 TRP A 28 0.558 -21.866 -3.284 1.00 0.00 C ATOM 0 H TRP A 28 -3.558 -18.015 -7.714 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.685 -17.385 -7.528 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.145 -19.964 -8.257 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.416 -19.799 -8.027 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.458 -18.837 -5.721 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.053 -19.806 -3.382 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.041 -21.115 -6.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -1.109 -21.298 -2.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.111 -22.299 -4.698 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.050 -22.397 -2.482 1.00 0.00 H new ATOM 460 N ALA A 29 -0.064 -17.575 -10.016 1.00 0.00 N ATOM 461 CA ALA A 29 0.285 -17.573 -11.453 1.00 0.00 C ATOM 462 C ALA A 29 0.245 -19.012 -12.007 1.00 0.00 C ATOM 463 O ALA A 29 0.478 -19.960 -11.261 1.00 0.00 O ATOM 464 CB ALA A 29 1.673 -16.943 -11.666 1.00 0.00 C ATOM 0 H ALA A 29 0.739 -17.451 -9.399 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.446 -16.973 -11.995 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.916 -16.949 -12.729 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.666 -15.916 -11.301 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.421 -17.518 -11.120 1.00 0.00 H new ATOM 470 N ASP A 30 -0.035 -19.164 -13.313 1.00 0.00 N ATOM 471 CA ASP A 30 -0.116 -20.497 -13.973 1.00 0.00 C ATOM 472 C ASP A 30 1.252 -21.216 -13.953 1.00 0.00 C ATOM 473 O ASP A 30 1.316 -22.446 -13.910 1.00 0.00 O ATOM 474 CB ASP A 30 -0.622 -20.348 -15.434 1.00 0.00 C ATOM 475 CG ASP A 30 -0.765 -21.690 -16.192 1.00 0.00 C ATOM 476 OD1 ASP A 30 -1.801 -22.369 -16.031 1.00 0.00 O ATOM 477 OD2 ASP A 30 0.150 -22.066 -16.959 1.00 0.00 O ATOM 0 H ASP A 30 -0.211 -18.381 -13.943 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.826 -21.105 -13.412 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.589 -19.844 -15.423 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.067 -19.705 -15.982 1.00 0.00 H new ATOM 482 N ASP A 31 2.333 -20.421 -13.968 1.00 0.00 N ATOM 483 CA ASP A 31 3.724 -20.923 -13.959 1.00 0.00 C ATOM 484 C ASP A 31 4.312 -20.925 -12.533 1.00 0.00 C ATOM 485 O ASP A 31 5.540 -20.948 -12.372 1.00 0.00 O ATOM 486 CB ASP A 31 4.601 -20.055 -14.900 1.00 0.00 C ATOM 487 CG ASP A 31 4.105 -20.048 -16.354 1.00 0.00 C ATOM 488 OD1 ASP A 31 4.264 -21.074 -17.053 1.00 0.00 O ATOM 489 OD2 ASP A 31 3.536 -19.021 -16.798 1.00 0.00 O ATOM 0 H ASP A 31 2.270 -19.403 -13.987 1.00 0.00 H new ATOM 0 HA ASP A 31 3.717 -21.953 -14.317 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.622 -19.032 -14.525 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.626 -20.425 -14.874 1.00 0.00 H new ATOM 494 N CYS A 32 3.432 -20.905 -11.503 1.00 0.00 N ATOM 495 CA CYS A 32 3.862 -20.799 -10.095 1.00 0.00 C ATOM 496 C CYS A 32 4.732 -21.990 -9.666 1.00 0.00 C ATOM 497 O CYS A 32 4.270 -23.132 -9.638 1.00 0.00 O ATOM 498 CB CYS A 32 2.665 -20.675 -9.139 1.00 0.00 C ATOM 499 SG CYS A 32 3.148 -20.470 -7.408 1.00 0.00 S ATOM 0 H CYS A 32 2.421 -20.961 -11.625 1.00 0.00 H new ATOM 0 HA CYS A 32 4.460 -19.890 -10.033 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.054 -19.824 -9.441 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.041 -21.564 -9.232 1.00 0.00 H new ATOM 0 HG CYS A 32 2.363 -21.179 -6.652 1.00 0.00 H new ATOM 505 N GLN A 33 5.997 -21.701 -9.338 1.00 0.00 N ATOM 506 CA GLN A 33 6.932 -22.694 -8.799 1.00 0.00 C ATOM 507 C GLN A 33 6.534 -23.050 -7.361 1.00 0.00 C ATOM 508 O GLN A 33 5.974 -22.216 -6.646 1.00 0.00 O ATOM 509 CB GLN A 33 8.373 -22.135 -8.846 1.00 0.00 C ATOM 510 CG GLN A 33 8.835 -21.696 -10.249 1.00 0.00 C ATOM 511 CD GLN A 33 8.861 -22.831 -11.272 1.00 0.00 C ATOM 512 OE1 GLN A 33 9.838 -23.566 -11.374 1.00 0.00 O ATOM 513 NE2 GLN A 33 7.808 -22.955 -12.065 1.00 0.00 N ATOM 0 H GLN A 33 6.401 -20.770 -9.439 1.00 0.00 H new ATOM 0 HA GLN A 33 6.893 -23.599 -9.405 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.442 -21.283 -8.170 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.058 -22.896 -8.472 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.173 -20.909 -10.610 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.833 -21.264 -10.174 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.011 -22.329 -11.956 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.794 -23.677 -12.785 1.00 0.00 H new ATOM 522 N TYR A 34 6.800 -24.294 -6.959 1.00 0.00 N ATOM 523 CA TYR A 34 6.486 -24.778 -5.615 1.00 0.00 C ATOM 524 C TYR A 34 7.611 -25.689 -5.148 1.00 0.00 C ATOM 525 O TYR A 34 7.888 -26.712 -5.780 1.00 0.00 O ATOM 526 CB TYR A 34 5.129 -25.519 -5.592 1.00 0.00 C ATOM 527 CG TYR A 34 4.567 -25.783 -4.185 1.00 0.00 C ATOM 528 CD1 TYR A 34 3.864 -24.787 -3.494 1.00 0.00 C ATOM 529 CD2 TYR A 34 4.732 -27.018 -3.548 1.00 0.00 C ATOM 530 CE1 TYR A 34 3.353 -25.015 -2.231 1.00 0.00 C ATOM 531 CE2 TYR A 34 4.217 -27.249 -2.282 1.00 0.00 C ATOM 532 CZ TYR A 34 3.530 -26.244 -1.629 1.00 0.00 C ATOM 533 OH TYR A 34 3.002 -26.474 -0.372 1.00 0.00 O ATOM 0 H TYR A 34 7.239 -24.994 -7.557 1.00 0.00 H new ATOM 0 HA TYR A 34 6.399 -23.929 -4.937 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.402 -24.935 -6.156 1.00 0.00 H new ATOM 0 HB3 TYR A 34 5.242 -26.472 -6.109 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.719 -23.823 -3.958 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.271 -27.806 -4.052 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.816 -24.233 -1.716 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.352 -28.210 -1.808 1.00 0.00 H new ATOM 0 HH TYR A 34 3.729 -26.656 0.260 1.00 0.00 H new ATOM 543 N TYR A 35 8.274 -25.285 -4.060 1.00 0.00 N ATOM 544 CA TYR A 35 9.372 -26.044 -3.446 1.00 0.00 C ATOM 545 C TYR A 35 8.991 -26.461 -2.020 1.00 0.00 C ATOM 546 O TYR A 35 8.232 -25.766 -1.326 1.00 0.00 O ATOM 547 CB TYR A 35 10.687 -25.218 -3.417 1.00 0.00 C ATOM 548 CG TYR A 35 11.297 -24.882 -4.797 1.00 0.00 C ATOM 549 CD1 TYR A 35 10.660 -24.027 -5.701 1.00 0.00 C ATOM 550 CD2 TYR A 35 12.538 -25.397 -5.175 1.00 0.00 C ATOM 551 CE1 TYR A 35 11.238 -23.708 -6.917 1.00 0.00 C ATOM 552 CE2 TYR A 35 13.113 -25.086 -6.385 1.00 0.00 C ATOM 553 CZ TYR A 35 12.466 -24.241 -7.255 1.00 0.00 C ATOM 554 OH TYR A 35 13.052 -23.925 -8.464 1.00 0.00 O ATOM 0 H TYR A 35 8.063 -24.413 -3.575 1.00 0.00 H new ATOM 0 HA TYR A 35 9.543 -26.933 -4.053 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.497 -24.285 -2.887 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.428 -25.768 -2.837 1.00 0.00 H new ATOM 0 HD1 TYR A 35 9.698 -23.607 -5.445 1.00 0.00 H new ATOM 0 HD2 TYR A 35 13.061 -26.057 -4.499 1.00 0.00 H new ATOM 0 HE1 TYR A 35 10.730 -23.044 -7.600 1.00 0.00 H new ATOM 0 HE2 TYR A 35 14.072 -25.505 -6.651 1.00 0.00 H new ATOM 0 HH TYR A 35 13.914 -24.385 -8.540 1.00 0.00 H new ATOM 564 N ALA A 36 9.528 -27.612 -1.619 1.00 0.00 N ATOM 565 CA ALA A 36 9.451 -28.130 -0.248 1.00 0.00 C ATOM 566 C ALA A 36 10.797 -27.896 0.438 1.00 0.00 C ATOM 567 O ALA A 36 11.818 -27.828 -0.244 1.00 0.00 O ATOM 568 CB ALA A 36 9.112 -29.627 -0.274 1.00 0.00 C ATOM 0 H ALA A 36 10.041 -28.227 -2.251 1.00 0.00 H new ATOM 0 HA ALA A 36 8.667 -27.613 0.305 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.056 -30.005 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.152 -29.774 -0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.887 -30.166 -0.819 1.00 0.00 H new ATOM 574 N PHE A 37 10.794 -27.779 1.773 1.00 0.00 N ATOM 575 CA PHE A 37 12.028 -27.604 2.567 1.00 0.00 C ATOM 576 C PHE A 37 13.029 -28.765 2.299 1.00 0.00 C ATOM 577 O PHE A 37 12.628 -29.932 2.398 1.00 0.00 O ATOM 578 CB PHE A 37 11.685 -27.522 4.069 1.00 0.00 C ATOM 579 CG PHE A 37 12.898 -27.348 4.988 1.00 0.00 C ATOM 580 CD1 PHE A 37 13.534 -26.113 5.105 1.00 0.00 C ATOM 581 CD2 PHE A 37 13.403 -28.419 5.729 1.00 0.00 C ATOM 582 CE1 PHE A 37 14.627 -25.951 5.933 1.00 0.00 C ATOM 583 CE2 PHE A 37 14.494 -28.254 6.558 1.00 0.00 C ATOM 584 CZ PHE A 37 15.106 -27.021 6.659 1.00 0.00 C ATOM 0 H PHE A 37 9.943 -27.802 2.335 1.00 0.00 H new ATOM 0 HA PHE A 37 12.504 -26.672 2.264 1.00 0.00 H new ATOM 0 HB2 PHE A 37 11.002 -26.688 4.228 1.00 0.00 H new ATOM 0 HB3 PHE A 37 11.153 -28.429 4.358 1.00 0.00 H new ATOM 0 HD1 PHE A 37 13.166 -25.270 4.539 1.00 0.00 H new ATOM 0 HD2 PHE A 37 12.934 -29.389 5.652 1.00 0.00 H new ATOM 0 HE1 PHE A 37 15.107 -24.987 6.012 1.00 0.00 H new ATOM 0 HE2 PHE A 37 14.869 -29.091 7.128 1.00 0.00 H new ATOM 0 HZ PHE A 37 15.961 -26.894 7.307 1.00 0.00 H new ATOM 594 N PRO A 38 14.345 -28.497 1.964 1.00 0.00 N ATOM 595 CA PRO A 38 14.958 -27.138 1.832 1.00 0.00 C ATOM 596 C PRO A 38 14.460 -26.355 0.596 1.00 0.00 C ATOM 597 O PRO A 38 13.864 -25.275 0.725 1.00 0.00 O ATOM 598 CB PRO A 38 16.489 -27.423 1.733 1.00 0.00 C ATOM 599 CG PRO A 38 16.654 -28.881 2.047 1.00 0.00 C ATOM 600 CD PRO A 38 15.349 -29.546 1.696 1.00 0.00 C ATOM 0 HA PRO A 38 14.687 -26.503 2.675 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.866 -27.192 0.737 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.048 -26.806 2.436 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.475 -29.311 1.473 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.892 -29.026 3.101 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.328 -29.865 0.654 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.174 -30.434 2.304 1.00 0.00 H new ATOM 608 N ALA A 39 14.704 -26.927 -0.595 1.00 0.00 N ATOM 609 CA ALA A 39 14.241 -26.375 -1.871 1.00 0.00 C ATOM 610 C ALA A 39 14.208 -27.498 -2.919 1.00 0.00 C ATOM 611 O ALA A 39 15.089 -27.607 -3.777 1.00 0.00 O ATOM 612 CB ALA A 39 15.108 -25.183 -2.320 1.00 0.00 C ATOM 0 H ALA A 39 15.233 -27.793 -0.696 1.00 0.00 H new ATOM 0 HA ALA A 39 13.232 -25.982 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.735 -24.799 -3.270 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.062 -24.396 -1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 39 16.141 -25.509 -2.441 1.00 0.00 H new ATOM 618 N THR A 40 13.205 -28.372 -2.785 1.00 0.00 N ATOM 619 CA THR A 40 12.930 -29.463 -3.729 1.00 0.00 C ATOM 620 C THR A 40 11.697 -29.099 -4.569 1.00 0.00 C ATOM 621 O THR A 40 10.588 -29.026 -4.030 1.00 0.00 O ATOM 622 CB THR A 40 12.693 -30.803 -2.958 1.00 0.00 C ATOM 623 OG1 THR A 40 13.829 -31.069 -2.112 1.00 0.00 O ATOM 624 CG2 THR A 40 12.466 -32.002 -3.908 1.00 0.00 C ATOM 0 H THR A 40 12.549 -28.341 -2.004 1.00 0.00 H new ATOM 0 HA THR A 40 13.788 -29.601 -4.387 1.00 0.00 H new ATOM 0 HB THR A 40 11.787 -30.685 -2.364 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.685 -31.907 -1.625 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.307 -32.906 -3.321 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.590 -31.814 -4.529 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.341 -32.132 -4.545 1.00 0.00 H new ATOM 632 N LEU A 41 11.909 -28.853 -5.874 1.00 0.00 N ATOM 633 CA LEU A 41 10.846 -28.412 -6.795 1.00 0.00 C ATOM 634 C LEU A 41 9.807 -29.549 -6.962 1.00 0.00 C ATOM 635 O LEU A 41 10.059 -30.542 -7.657 1.00 0.00 O ATOM 636 CB LEU A 41 11.487 -27.971 -8.163 1.00 0.00 C ATOM 637 CG LEU A 41 10.681 -26.945 -9.046 1.00 0.00 C ATOM 638 CD1 LEU A 41 11.508 -26.469 -10.263 1.00 0.00 C ATOM 639 CD2 LEU A 41 9.334 -27.510 -9.511 1.00 0.00 C ATOM 0 H LEU A 41 12.821 -28.954 -6.320 1.00 0.00 H new ATOM 0 HA LEU A 41 10.320 -27.547 -6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.465 -27.538 -7.952 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.657 -28.867 -8.759 1.00 0.00 H new ATOM 0 HG LEU A 41 10.479 -26.086 -8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.920 -25.763 -10.849 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.419 -25.982 -9.916 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.769 -27.326 -10.884 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.816 -26.765 -10.116 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.502 -28.408 -10.106 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.724 -27.759 -8.642 1.00 0.00 H new ATOM 651 N LEU A 42 8.657 -29.395 -6.284 1.00 0.00 N ATOM 652 CA LEU A 42 7.530 -30.332 -6.370 1.00 0.00 C ATOM 653 C LEU A 42 6.667 -30.031 -7.609 1.00 0.00 C ATOM 654 O LEU A 42 6.258 -30.946 -8.323 1.00 0.00 O ATOM 655 CB LEU A 42 6.652 -30.251 -5.091 1.00 0.00 C ATOM 656 CG LEU A 42 7.359 -30.555 -3.733 1.00 0.00 C ATOM 657 CD1 LEU A 42 6.349 -30.489 -2.562 1.00 0.00 C ATOM 658 CD2 LEU A 42 8.102 -31.913 -3.762 1.00 0.00 C ATOM 0 H LEU A 42 8.485 -28.610 -5.657 1.00 0.00 H new ATOM 0 HA LEU A 42 7.937 -31.339 -6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.224 -29.250 -5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.821 -30.947 -5.205 1.00 0.00 H new ATOM 0 HG LEU A 42 8.113 -29.784 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.863 -30.704 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.911 -29.492 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.560 -31.224 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.580 -32.087 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.390 -32.713 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.860 -31.897 -4.545 1.00 0.00 H new ATOM 670 N ALA A 43 6.399 -28.734 -7.851 1.00 0.00 N ATOM 671 CA ALA A 43 5.441 -28.294 -8.889 1.00 0.00 C ATOM 672 C ALA A 43 5.966 -27.061 -9.638 1.00 0.00 C ATOM 673 O ALA A 43 6.148 -26.006 -9.035 1.00 0.00 O ATOM 674 CB ALA A 43 4.089 -27.999 -8.231 1.00 0.00 C ATOM 0 H ALA A 43 6.834 -27.966 -7.339 1.00 0.00 H new ATOM 0 HA ALA A 43 5.319 -29.091 -9.623 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.378 -27.674 -8.991 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.716 -28.901 -7.747 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.210 -27.212 -7.487 1.00 0.00 H new ATOM 680 N GLY A 44 6.213 -27.206 -10.957 1.00 0.00 N ATOM 681 CA GLY A 44 6.774 -26.119 -11.793 1.00 0.00 C ATOM 682 C GLY A 44 5.704 -25.268 -12.461 1.00 0.00 C ATOM 683 O GLY A 44 5.930 -24.701 -13.539 1.00 0.00 O ATOM 0 H GLY A 44 6.032 -28.069 -11.470 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.404 -25.480 -11.174 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.416 -26.553 -12.560 1.00 0.00 H new ATOM 687 N ASN A 45 4.571 -25.121 -11.757 1.00 0.00 N ATOM 688 CA ASN A 45 3.292 -24.615 -12.302 1.00 0.00 C ATOM 689 C ASN A 45 2.167 -24.836 -11.273 1.00 0.00 C ATOM 690 O ASN A 45 2.232 -25.772 -10.464 1.00 0.00 O ATOM 691 CB ASN A 45 2.885 -25.274 -13.657 1.00 0.00 C ATOM 692 CG ASN A 45 2.626 -26.786 -13.616 1.00 0.00 C ATOM 693 OD1 ASN A 45 3.421 -27.524 -12.864 1.00 0.00 O flip ATOM 694 ND2 ASN A 45 1.732 -27.290 -14.291 1.00 0.00 N flip ATOM 0 H ASN A 45 4.513 -25.356 -10.766 1.00 0.00 H new ATOM 0 HA ASN A 45 3.440 -23.553 -12.499 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.985 -24.781 -14.023 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.673 -25.080 -14.385 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.130 -26.698 -14.864 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.591 -28.300 -14.278 1.00 0.00 H new ATOM 701 N ALA A 46 1.128 -23.987 -11.345 1.00 0.00 N ATOM 702 CA ALA A 46 -0.013 -23.990 -10.401 1.00 0.00 C ATOM 703 C ALA A 46 -0.898 -25.250 -10.531 1.00 0.00 C ATOM 704 O ALA A 46 -1.579 -25.630 -9.566 1.00 0.00 O ATOM 705 CB ALA A 46 -0.848 -22.719 -10.599 1.00 0.00 C ATOM 0 H ALA A 46 1.052 -23.270 -12.066 1.00 0.00 H new ATOM 0 HA ALA A 46 0.398 -24.008 -9.392 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.687 -22.723 -9.903 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.227 -21.843 -10.413 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.224 -22.687 -11.621 1.00 0.00 H new ATOM 711 N ALA A 47 -0.876 -25.886 -11.725 1.00 0.00 N ATOM 712 CA ALA A 47 -1.685 -27.094 -12.025 1.00 0.00 C ATOM 713 C ALA A 47 -1.413 -28.231 -11.036 1.00 0.00 C ATOM 714 O ALA A 47 -2.341 -28.854 -10.512 1.00 0.00 O ATOM 715 CB ALA A 47 -1.407 -27.599 -13.443 1.00 0.00 C ATOM 0 H ALA A 47 -0.299 -25.578 -12.507 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.729 -26.795 -11.934 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.012 -28.485 -13.639 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.660 -26.820 -14.163 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.351 -27.852 -13.539 1.00 0.00 H new ATOM 721 N GLU A 48 -0.121 -28.494 -10.801 1.00 0.00 N ATOM 722 CA GLU A 48 0.314 -29.563 -9.897 1.00 0.00 C ATOM 723 C GLU A 48 0.088 -29.154 -8.431 1.00 0.00 C ATOM 724 O GLU A 48 -0.190 -30.006 -7.596 1.00 0.00 O ATOM 725 CB GLU A 48 1.799 -29.916 -10.133 1.00 0.00 C ATOM 726 CG GLU A 48 2.162 -30.291 -11.578 1.00 0.00 C ATOM 727 CD GLU A 48 3.616 -30.798 -11.699 1.00 0.00 C ATOM 728 OE1 GLU A 48 4.537 -29.967 -11.861 1.00 0.00 O ATOM 729 OE2 GLU A 48 3.842 -32.021 -11.602 1.00 0.00 O ATOM 0 H GLU A 48 0.646 -27.975 -11.229 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.285 -30.449 -10.109 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.410 -29.065 -9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.066 -30.748 -9.481 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.479 -31.062 -11.934 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.027 -29.422 -12.222 1.00 0.00 H new ATOM 736 N ILE A 49 0.191 -27.836 -8.145 1.00 0.00 N ATOM 737 CA ILE A 49 0.038 -27.290 -6.776 1.00 0.00 C ATOM 738 C ILE A 49 -1.398 -27.507 -6.245 1.00 0.00 C ATOM 739 O ILE A 49 -1.579 -27.990 -5.121 1.00 0.00 O ATOM 740 CB ILE A 49 0.379 -25.752 -6.716 1.00 0.00 C ATOM 741 CG1 ILE A 49 1.811 -25.471 -7.256 1.00 0.00 C ATOM 742 CG2 ILE A 49 0.221 -25.194 -5.282 1.00 0.00 C ATOM 743 CD1 ILE A 49 2.209 -24.002 -7.296 1.00 0.00 C ATOM 0 H ILE A 49 0.381 -27.125 -8.851 1.00 0.00 H new ATOM 0 HA ILE A 49 0.744 -27.831 -6.147 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.335 -25.237 -7.359 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.528 -26.009 -6.636 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.890 -25.880 -8.263 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.464 -24.131 -5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.807 -25.333 -4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.895 -25.724 -4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.222 -23.910 -7.687 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.521 -23.456 -7.941 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.169 -23.587 -6.289 1.00 0.00 H new ATOM 755 N ARG A 50 -2.404 -27.137 -7.069 1.00 0.00 N ATOM 756 CA ARG A 50 -3.834 -27.220 -6.682 1.00 0.00 C ATOM 757 C ARG A 50 -4.242 -28.678 -6.417 1.00 0.00 C ATOM 758 O ARG A 50 -4.769 -28.978 -5.351 1.00 0.00 O ATOM 759 CB ARG A 50 -4.762 -26.545 -7.752 1.00 0.00 C ATOM 760 CG ARG A 50 -4.617 -27.087 -9.189 1.00 0.00 C ATOM 761 CD ARG A 50 -5.377 -26.268 -10.251 1.00 0.00 C ATOM 762 NE ARG A 50 -6.846 -26.358 -10.114 1.00 0.00 N ATOM 763 CZ ARG A 50 -7.722 -26.379 -11.136 1.00 0.00 C ATOM 764 NH1 ARG A 50 -7.306 -26.436 -12.398 1.00 0.00 N ATOM 765 NH2 ARG A 50 -9.019 -26.369 -10.879 1.00 0.00 N ATOM 0 H ARG A 50 -2.252 -26.776 -8.011 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.963 -26.663 -5.754 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.799 -26.668 -7.438 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.557 -25.475 -7.763 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.559 -27.110 -9.452 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.975 -28.116 -9.215 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.075 -25.223 -10.179 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.089 -26.616 -11.243 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.227 -26.408 -9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.308 -26.465 -12.605 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.985 -26.451 -13.159 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.347 -26.346 -9.914 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.691 -26.385 -11.646 1.00 0.00 H new ATOM 779 N VAL A 51 -3.899 -29.577 -7.363 1.00 0.00 N ATOM 780 CA VAL A 51 -4.248 -31.013 -7.298 1.00 0.00 C ATOM 781 C VAL A 51 -3.578 -31.703 -6.084 1.00 0.00 C ATOM 782 O VAL A 51 -4.222 -32.471 -5.355 1.00 0.00 O ATOM 783 CB VAL A 51 -3.845 -31.731 -8.644 1.00 0.00 C ATOM 784 CG1 VAL A 51 -4.056 -33.266 -8.576 1.00 0.00 C ATOM 785 CG2 VAL A 51 -4.621 -31.117 -9.845 1.00 0.00 C ATOM 0 H VAL A 51 -3.369 -29.326 -8.198 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.327 -31.095 -7.166 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.778 -31.563 -8.794 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.765 -33.716 -9.525 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.445 -33.682 -7.775 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.107 -33.481 -8.380 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.330 -31.625 -10.764 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.692 -31.239 -9.687 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.385 -30.056 -9.926 1.00 0.00 H new ATOM 795 N ARG A 52 -2.298 -31.366 -5.859 1.00 0.00 N ATOM 796 CA ARG A 52 -1.485 -31.927 -4.755 1.00 0.00 C ATOM 797 C ARG A 52 -2.000 -31.435 -3.389 1.00 0.00 C ATOM 798 O ARG A 52 -1.908 -32.147 -2.385 1.00 0.00 O ATOM 799 CB ARG A 52 0.009 -31.556 -4.969 1.00 0.00 C ATOM 800 CG ARG A 52 1.018 -32.258 -4.035 1.00 0.00 C ATOM 801 CD ARG A 52 2.480 -32.020 -4.473 1.00 0.00 C ATOM 802 NE ARG A 52 3.443 -32.776 -3.647 1.00 0.00 N ATOM 803 CZ ARG A 52 4.511 -33.448 -4.116 1.00 0.00 C ATOM 804 NH1 ARG A 52 4.782 -33.489 -5.423 1.00 0.00 N ATOM 805 NH2 ARG A 52 5.307 -34.080 -3.269 1.00 0.00 N ATOM 0 H ARG A 52 -1.791 -30.695 -6.437 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.576 -33.013 -4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.277 -31.787 -6.000 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.117 -30.479 -4.845 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.882 -31.895 -3.016 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.814 -33.329 -4.021 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.596 -32.309 -5.518 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.707 -30.956 -4.410 1.00 0.00 H new ATOM 0 HE ARG A 52 3.286 -32.790 -2.639 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.175 -33.006 -6.085 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.596 -34.004 -5.759 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.109 -34.056 -2.269 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.118 -34.591 -3.616 1.00 0.00 H new ATOM 819 N HIS A 53 -2.547 -30.201 -3.365 1.00 0.00 N ATOM 820 CA HIS A 53 -3.152 -29.624 -2.153 1.00 0.00 C ATOM 821 C HIS A 53 -4.550 -30.189 -1.894 1.00 0.00 C ATOM 822 O HIS A 53 -4.943 -30.268 -0.747 1.00 0.00 O ATOM 823 CB HIS A 53 -3.173 -28.072 -2.193 1.00 0.00 C ATOM 824 CG HIS A 53 -1.879 -27.442 -1.742 1.00 0.00 C ATOM 825 ND1 HIS A 53 -1.126 -26.604 -2.530 1.00 0.00 N ATOM 826 CD2 HIS A 53 -1.236 -27.503 -0.546 1.00 0.00 C ATOM 827 CE1 HIS A 53 -0.077 -26.183 -1.850 1.00 0.00 C ATOM 828 NE2 HIS A 53 -0.121 -26.709 -0.644 1.00 0.00 N ATOM 0 H HIS A 53 -2.580 -29.585 -4.177 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.517 -29.917 -1.317 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.392 -27.745 -3.210 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.984 -27.711 -1.560 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.545 -28.070 0.320 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.689 -25.518 -2.220 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.562 -26.552 0.097 1.00 0.00 H new ATOM 837 N ILE A 54 -5.290 -30.597 -2.947 1.00 0.00 N ATOM 838 CA ILE A 54 -6.604 -31.265 -2.776 1.00 0.00 C ATOM 839 C ILE A 54 -6.434 -32.538 -1.918 1.00 0.00 C ATOM 840 O ILE A 54 -7.248 -32.818 -1.033 1.00 0.00 O ATOM 841 CB ILE A 54 -7.259 -31.613 -4.168 1.00 0.00 C ATOM 842 CG1 ILE A 54 -7.565 -30.309 -4.962 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.541 -32.470 -4.015 1.00 0.00 C ATOM 844 CD1 ILE A 54 -8.009 -30.517 -6.394 1.00 0.00 C ATOM 0 H ILE A 54 -5.005 -30.478 -3.919 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.276 -30.576 -2.264 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.539 -32.211 -4.726 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.341 -29.755 -4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.672 -29.684 -4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.955 -32.684 -5.000 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.295 -33.406 -3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.275 -31.924 -3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.197 -29.550 -6.861 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.227 -31.040 -6.945 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.923 -31.111 -6.409 1.00 0.00 H new ATOM 856 N GLU A 55 -5.317 -33.242 -2.164 1.00 0.00 N ATOM 857 CA GLU A 55 -4.906 -34.443 -1.408 1.00 0.00 C ATOM 858 C GLU A 55 -4.601 -34.101 0.076 1.00 0.00 C ATOM 859 O GLU A 55 -4.873 -34.899 0.979 1.00 0.00 O ATOM 860 CB GLU A 55 -3.665 -35.069 -2.100 1.00 0.00 C ATOM 861 CG GLU A 55 -3.894 -35.430 -3.585 1.00 0.00 C ATOM 862 CD GLU A 55 -2.636 -35.947 -4.303 1.00 0.00 C ATOM 863 OE1 GLU A 55 -2.159 -37.052 -3.960 1.00 0.00 O ATOM 864 OE2 GLU A 55 -2.129 -35.267 -5.226 1.00 0.00 O ATOM 0 H GLU A 55 -4.662 -32.991 -2.905 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.725 -35.162 -1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.831 -34.371 -2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.374 -35.969 -1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.674 -36.189 -3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.264 -34.549 -4.110 1.00 0.00 H new ATOM 871 N ARG A 56 -4.052 -32.894 0.301 1.00 0.00 N ATOM 872 CA ARG A 56 -3.767 -32.372 1.662 1.00 0.00 C ATOM 873 C ARG A 56 -5.060 -31.837 2.332 1.00 0.00 C ATOM 874 O ARG A 56 -5.155 -31.791 3.556 1.00 0.00 O ATOM 875 CB ARG A 56 -2.671 -31.265 1.592 1.00 0.00 C ATOM 876 CG ARG A 56 -2.195 -30.692 2.958 1.00 0.00 C ATOM 877 CD ARG A 56 -1.714 -31.783 3.941 1.00 0.00 C ATOM 878 NE ARG A 56 -0.655 -32.636 3.366 1.00 0.00 N ATOM 879 CZ ARG A 56 -0.335 -33.876 3.788 1.00 0.00 C ATOM 880 NH1 ARG A 56 -0.979 -34.446 4.804 1.00 0.00 N ATOM 881 NH2 ARG A 56 0.624 -34.549 3.169 1.00 0.00 N ATOM 0 H ARG A 56 -3.792 -32.251 -0.447 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.392 -33.190 2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.805 -31.671 1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.052 -30.442 0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.384 -29.985 2.785 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.012 -30.134 3.416 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.341 -31.310 4.850 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.561 -32.406 4.230 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.121 -32.256 2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.730 -33.944 5.278 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.722 -35.385 5.108 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.114 -34.129 2.379 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.872 -35.488 3.482 1.00 0.00 H new ATOM 895 N PHE A 57 -6.048 -31.445 1.515 1.00 0.00 N ATOM 896 CA PHE A 57 -7.368 -30.974 1.999 1.00 0.00 C ATOM 897 C PHE A 57 -8.303 -32.173 2.286 1.00 0.00 C ATOM 898 O PHE A 57 -9.422 -31.986 2.767 1.00 0.00 O ATOM 899 CB PHE A 57 -8.006 -29.976 0.974 1.00 0.00 C ATOM 900 CG PHE A 57 -7.425 -28.546 0.968 1.00 0.00 C ATOM 901 CD1 PHE A 57 -6.055 -28.304 1.112 1.00 0.00 C ATOM 902 CD2 PHE A 57 -8.257 -27.441 0.799 1.00 0.00 C ATOM 903 CE1 PHE A 57 -5.550 -27.019 1.094 1.00 0.00 C ATOM 904 CE2 PHE A 57 -7.747 -26.152 0.780 1.00 0.00 C ATOM 905 CZ PHE A 57 -6.397 -25.943 0.925 1.00 0.00 C ATOM 0 H PHE A 57 -5.962 -31.443 0.499 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.225 -30.437 2.937 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.897 -30.395 -0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.075 -29.911 1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.380 -29.137 1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.320 -27.592 0.681 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.489 -26.856 1.213 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.412 -25.311 0.651 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.000 -24.939 0.907 1.00 0.00 H new ATOM 915 N LYS A 58 -7.842 -33.405 1.963 1.00 0.00 N ATOM 916 CA LYS A 58 -8.517 -34.653 2.376 1.00 0.00 C ATOM 917 C LYS A 58 -8.228 -35.002 3.847 1.00 0.00 C ATOM 918 O LYS A 58 -8.849 -35.923 4.398 1.00 0.00 O ATOM 919 CB LYS A 58 -8.120 -35.832 1.445 1.00 0.00 C ATOM 920 CG LYS A 58 -8.459 -35.595 -0.040 1.00 0.00 C ATOM 921 CD LYS A 58 -9.953 -35.246 -0.265 1.00 0.00 C ATOM 922 CE LYS A 58 -10.228 -34.719 -1.676 1.00 0.00 C ATOM 923 NZ LYS A 58 -11.671 -34.438 -1.898 1.00 0.00 N ATOM 0 H LYS A 58 -6.997 -33.558 1.412 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.590 -34.485 2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.049 -36.012 1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.626 -36.736 1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.839 -34.785 -0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.209 -36.488 -0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.560 -36.134 -0.088 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.262 -34.498 0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.652 -33.808 -1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.885 -35.450 -2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.811 -34.083 -2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.219 -35.312 -1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.994 -33.722 -1.217 1.00 0.00 H new ATOM 937 N GLU A 59 -7.275 -34.280 4.466 1.00 0.00 N ATOM 938 CA GLU A 59 -7.027 -34.349 5.918 1.00 0.00 C ATOM 939 C GLU A 59 -8.192 -33.646 6.653 1.00 0.00 C ATOM 940 O GLU A 59 -8.316 -32.424 6.534 1.00 0.00 O ATOM 941 CB GLU A 59 -5.676 -33.650 6.279 1.00 0.00 C ATOM 942 CG GLU A 59 -4.432 -34.152 5.516 1.00 0.00 C ATOM 943 CD GLU A 59 -4.074 -35.616 5.804 1.00 0.00 C ATOM 944 OE1 GLU A 59 -4.600 -36.521 5.120 1.00 0.00 O ATOM 945 OE2 GLU A 59 -3.257 -35.870 6.723 1.00 0.00 O ATOM 0 H GLU A 59 -6.657 -33.634 3.975 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.964 -35.393 6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.783 -32.581 6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.498 -33.776 7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.602 -34.034 4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.581 -33.522 5.775 1.00 0.00 H new ATOM 952 N PRO A 60 -9.081 -34.380 7.406 1.00 0.00 N ATOM 953 CA PRO A 60 -10.210 -33.748 8.145 1.00 0.00 C ATOM 954 C PRO A 60 -9.719 -32.772 9.241 1.00 0.00 C ATOM 955 O PRO A 60 -10.390 -31.786 9.555 1.00 0.00 O ATOM 956 CB PRO A 60 -10.970 -34.962 8.749 1.00 0.00 C ATOM 957 CG PRO A 60 -9.945 -36.053 8.813 1.00 0.00 C ATOM 958 CD PRO A 60 -9.081 -35.859 7.588 1.00 0.00 C ATOM 0 HA PRO A 60 -10.838 -33.132 7.501 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.365 -34.730 9.738 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.817 -35.250 8.126 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.354 -35.985 9.726 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.416 -37.036 8.811 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.074 -36.247 7.740 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.493 -36.372 6.719 1.00 0.00 H new ATOM 966 N ASP A 61 -8.512 -33.044 9.772 1.00 0.00 N ATOM 967 CA ASP A 61 -7.901 -32.263 10.865 1.00 0.00 C ATOM 968 C ASP A 61 -7.001 -31.128 10.333 1.00 0.00 C ATOM 969 O ASP A 61 -6.349 -30.447 11.129 1.00 0.00 O ATOM 970 CB ASP A 61 -7.085 -33.207 11.785 1.00 0.00 C ATOM 971 CG ASP A 61 -7.948 -34.326 12.394 1.00 0.00 C ATOM 972 OD1 ASP A 61 -8.544 -34.120 13.474 1.00 0.00 O ATOM 973 OD2 ASP A 61 -8.052 -35.418 11.780 1.00 0.00 O ATOM 0 H ASP A 61 -7.929 -33.818 9.452 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.706 -31.797 11.434 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.270 -33.651 11.213 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.631 -32.625 12.587 1.00 0.00 H new ATOM 978 N LEU A 62 -6.966 -30.930 8.992 1.00 0.00 N ATOM 979 CA LEU A 62 -6.173 -29.850 8.377 1.00 0.00 C ATOM 980 C LEU A 62 -6.722 -28.476 8.806 1.00 0.00 C ATOM 981 O LEU A 62 -7.834 -28.090 8.421 1.00 0.00 O ATOM 982 CB LEU A 62 -6.183 -29.932 6.830 1.00 0.00 C ATOM 983 CG LEU A 62 -5.323 -28.844 6.104 1.00 0.00 C ATOM 984 CD1 LEU A 62 -3.813 -29.128 6.261 1.00 0.00 C ATOM 985 CD2 LEU A 62 -5.730 -28.687 4.623 1.00 0.00 C ATOM 0 H LEU A 62 -7.478 -31.505 8.322 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.146 -29.971 8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.824 -30.917 6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.213 -29.850 6.484 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.525 -27.889 6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.242 -28.355 5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.551 -29.129 7.319 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.579 -30.101 5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.110 -27.923 4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.590 -29.636 4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.777 -28.392 4.563 1.00 0.00 H new ATOM 997 N TYR A 63 -5.933 -27.756 9.603 1.00 0.00 N ATOM 998 CA TYR A 63 -6.278 -26.411 10.065 1.00 0.00 C ATOM 999 C TYR A 63 -4.984 -25.610 10.228 1.00 0.00 C ATOM 1000 O TYR A 63 -4.142 -25.958 11.057 1.00 0.00 O ATOM 1001 CB TYR A 63 -7.049 -26.519 11.411 1.00 0.00 C ATOM 1002 CG TYR A 63 -7.552 -25.188 11.992 1.00 0.00 C ATOM 1003 CD1 TYR A 63 -8.739 -24.609 11.539 1.00 0.00 C ATOM 1004 CD2 TYR A 63 -6.855 -24.529 13.014 1.00 0.00 C ATOM 1005 CE1 TYR A 63 -9.212 -23.427 12.080 1.00 0.00 C ATOM 1006 CE2 TYR A 63 -7.323 -23.345 13.550 1.00 0.00 C ATOM 1007 CZ TYR A 63 -8.500 -22.800 13.085 1.00 0.00 C ATOM 1008 OH TYR A 63 -8.975 -21.628 13.640 1.00 0.00 O ATOM 0 H TYR A 63 -5.033 -28.090 9.948 1.00 0.00 H new ATOM 0 HA TYR A 63 -6.919 -25.901 9.346 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.904 -27.180 11.268 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.399 -26.994 12.146 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.298 -25.093 10.752 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.936 -24.954 13.389 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.134 -22.996 11.719 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.768 -22.848 14.332 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.355 -21.320 14.334 1.00 0.00 H new ATOM 1018 N GLY A 64 -4.828 -24.544 9.430 1.00 0.00 N ATOM 1019 CA GLY A 64 -3.692 -23.641 9.572 1.00 0.00 C ATOM 1020 C GLY A 64 -4.064 -22.474 10.459 1.00 0.00 C ATOM 1021 O GLY A 64 -4.757 -21.550 10.010 1.00 0.00 O ATOM 0 H GLY A 64 -5.476 -24.292 8.683 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.843 -24.176 9.998 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.381 -23.279 8.592 1.00 0.00 H new ATOM 1025 N GLU A 65 -3.637 -22.527 11.730 1.00 0.00 N ATOM 1026 CA GLU A 65 -3.837 -21.427 12.677 1.00 0.00 C ATOM 1027 C GLU A 65 -2.746 -20.383 12.436 1.00 0.00 C ATOM 1028 O GLU A 65 -1.605 -20.563 12.884 1.00 0.00 O ATOM 1029 CB GLU A 65 -3.778 -21.958 14.142 1.00 0.00 C ATOM 1030 CG GLU A 65 -3.864 -20.862 15.233 1.00 0.00 C ATOM 1031 CD GLU A 65 -3.742 -21.406 16.671 1.00 0.00 C ATOM 1032 OE1 GLU A 65 -2.607 -21.649 17.136 1.00 0.00 O ATOM 1033 OE2 GLU A 65 -4.781 -21.577 17.348 1.00 0.00 O ATOM 0 H GLU A 65 -3.147 -23.329 12.125 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.818 -20.976 12.527 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.595 -22.664 14.291 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.849 -22.512 14.276 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.074 -20.130 15.063 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.813 -20.336 15.133 1.00 0.00 H new ATOM 1040 N LEU A 66 -3.083 -19.304 11.711 1.00 0.00 N ATOM 1041 CA LEU A 66 -2.123 -18.226 11.465 1.00 0.00 C ATOM 1042 C LEU A 66 -1.997 -17.386 12.734 1.00 0.00 C ATOM 1043 O LEU A 66 -3.001 -16.930 13.296 1.00 0.00 O ATOM 1044 CB LEU A 66 -2.514 -17.322 10.270 1.00 0.00 C ATOM 1045 CG LEU A 66 -1.365 -16.374 9.768 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -0.357 -17.121 8.871 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -1.925 -15.129 9.053 1.00 0.00 C ATOM 0 H LEU A 66 -4.001 -19.159 11.292 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.170 -18.685 11.203 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.834 -17.954 9.442 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.371 -16.713 10.556 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.828 -16.033 10.653 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.421 -16.431 8.545 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.095 -17.938 9.434 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.874 -17.523 8.000 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.100 -14.498 8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.515 -15.439 8.190 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.557 -14.567 9.741 1.00 0.00 H new ATOM 1059 N LEU A 67 -0.765 -17.219 13.181 1.00 0.00 N ATOM 1060 CA LEU A 67 -0.429 -16.481 14.410 1.00 0.00 C ATOM 1061 C LEU A 67 0.335 -15.197 14.049 1.00 0.00 C ATOM 1062 O LEU A 67 0.179 -14.163 14.701 1.00 0.00 O ATOM 1063 CB LEU A 67 0.405 -17.424 15.327 1.00 0.00 C ATOM 1064 CG LEU A 67 1.631 -18.143 14.629 1.00 0.00 C ATOM 1065 CD1 LEU A 67 2.988 -17.570 15.076 1.00 0.00 C ATOM 1066 CD2 LEU A 67 1.573 -19.673 14.792 1.00 0.00 C ATOM 0 H LEU A 67 0.052 -17.595 12.700 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.328 -16.178 14.947 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.779 -16.844 16.171 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.258 -18.187 15.733 1.00 0.00 H new ATOM 0 HG LEU A 67 1.542 -17.930 13.564 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.792 -18.100 14.566 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.036 -16.510 14.825 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.098 -17.693 16.153 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.433 -20.124 14.298 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.589 -19.927 15.852 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.656 -20.052 14.342 1.00 0.00 H new ATOM 1078 N THR A 68 1.147 -15.282 12.978 1.00 0.00 N ATOM 1079 CA THR A 68 2.022 -14.197 12.513 1.00 0.00 C ATOM 1080 C THR A 68 2.252 -14.353 11.001 1.00 0.00 C ATOM 1081 O THR A 68 2.399 -15.477 10.523 1.00 0.00 O ATOM 1082 CB THR A 68 3.413 -14.251 13.256 1.00 0.00 C ATOM 1083 OG1 THR A 68 3.219 -14.098 14.670 1.00 0.00 O ATOM 1084 CG2 THR A 68 4.414 -13.189 12.766 1.00 0.00 C ATOM 0 H THR A 68 1.212 -16.123 12.404 1.00 0.00 H new ATOM 0 HA THR A 68 1.545 -13.241 12.728 1.00 0.00 H new ATOM 0 HB THR A 68 3.843 -15.226 13.026 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.086 -14.134 15.125 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.347 -13.285 13.321 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.607 -13.334 11.703 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.997 -12.195 12.927 1.00 0.00 H new ATOM 1092 N ARG A 69 2.253 -13.234 10.256 1.00 0.00 N ATOM 1093 CA ARG A 69 2.807 -13.196 8.895 1.00 0.00 C ATOM 1094 C ARG A 69 3.521 -11.863 8.658 1.00 0.00 C ATOM 1095 O ARG A 69 2.949 -10.787 8.881 1.00 0.00 O ATOM 1096 CB ARG A 69 1.762 -13.496 7.783 1.00 0.00 C ATOM 1097 CG ARG A 69 0.562 -12.541 7.678 1.00 0.00 C ATOM 1098 CD ARG A 69 -0.276 -12.823 6.413 1.00 0.00 C ATOM 1099 NE ARG A 69 -1.640 -12.292 6.520 1.00 0.00 N ATOM 1100 CZ ARG A 69 -2.750 -12.956 6.172 1.00 0.00 C ATOM 1101 NH1 ARG A 69 -2.689 -14.189 5.649 1.00 0.00 N ATOM 1102 NH2 ARG A 69 -3.921 -12.383 6.356 1.00 0.00 N ATOM 0 H ARG A 69 1.875 -12.343 10.576 1.00 0.00 H new ATOM 0 HA ARG A 69 3.532 -14.007 8.825 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.279 -13.497 6.823 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.380 -14.505 7.940 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.066 -12.646 8.563 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.916 -11.510 7.659 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.217 -12.381 5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.319 -13.898 6.241 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.751 -11.347 6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.785 -14.639 5.509 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.547 -14.677 5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.973 -11.447 6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.776 -12.875 6.096 1.00 0.00 H new ATOM 1116 N VAL A 70 4.801 -11.953 8.242 1.00 0.00 N ATOM 1117 CA VAL A 70 5.664 -10.785 8.022 1.00 0.00 C ATOM 1118 C VAL A 70 5.861 -10.554 6.510 1.00 0.00 C ATOM 1119 O VAL A 70 6.345 -11.426 5.784 1.00 0.00 O ATOM 1120 CB VAL A 70 7.047 -10.924 8.792 1.00 0.00 C ATOM 1121 CG1 VAL A 70 6.809 -11.040 10.317 1.00 0.00 C ATOM 1122 CG2 VAL A 70 7.904 -12.110 8.288 1.00 0.00 C ATOM 0 H VAL A 70 5.262 -12.842 8.050 1.00 0.00 H new ATOM 0 HA VAL A 70 5.171 -9.906 8.437 1.00 0.00 H new ATOM 0 HB VAL A 70 7.613 -10.017 8.581 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.767 -11.134 10.829 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.293 -10.148 10.674 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.199 -11.919 10.524 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.835 -12.152 8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.354 -13.041 8.426 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.127 -11.974 7.230 1.00 0.00 H new ATOM 1132 N ILE A 71 5.428 -9.381 6.033 1.00 0.00 N ATOM 1133 CA ILE A 71 5.577 -8.992 4.621 1.00 0.00 C ATOM 1134 C ILE A 71 6.841 -8.126 4.442 1.00 0.00 C ATOM 1135 O ILE A 71 7.202 -7.325 5.315 1.00 0.00 O ATOM 1136 CB ILE A 71 4.302 -8.254 4.057 1.00 0.00 C ATOM 1137 CG1 ILE A 71 4.447 -7.982 2.519 1.00 0.00 C ATOM 1138 CG2 ILE A 71 4.014 -6.949 4.836 1.00 0.00 C ATOM 1139 CD1 ILE A 71 3.198 -7.458 1.844 1.00 0.00 C ATOM 0 H ILE A 71 4.967 -8.677 6.609 1.00 0.00 H new ATOM 0 HA ILE A 71 5.685 -9.908 4.040 1.00 0.00 H new ATOM 0 HB ILE A 71 3.445 -8.913 4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.253 -7.265 2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.747 -8.908 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.129 -6.466 4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.841 -7.183 5.887 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.868 -6.278 4.749 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.396 -7.301 0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.391 -8.182 1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.906 -6.513 2.302 1.00 0.00 H new ATOM 1151 N VAL A 72 7.501 -8.331 3.308 1.00 0.00 N ATOM 1152 CA VAL A 72 8.735 -7.659 2.919 1.00 0.00 C ATOM 1153 C VAL A 72 8.737 -7.527 1.376 1.00 0.00 C ATOM 1154 O VAL A 72 9.018 -8.491 0.650 1.00 0.00 O ATOM 1155 CB VAL A 72 9.995 -8.436 3.485 1.00 0.00 C ATOM 1156 CG1 VAL A 72 9.885 -9.970 3.255 1.00 0.00 C ATOM 1157 CG2 VAL A 72 11.327 -7.866 2.924 1.00 0.00 C ATOM 0 H VAL A 72 7.178 -8.997 2.606 1.00 0.00 H new ATOM 0 HA VAL A 72 8.793 -6.659 3.349 1.00 0.00 H new ATOM 0 HB VAL A 72 10.006 -8.275 4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.770 -10.463 3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.996 -10.351 3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.812 -10.173 2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.165 -8.427 3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.332 -7.954 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.420 -6.816 3.203 1.00 0.00 H new ATOM 1167 N GLY A 73 8.325 -6.335 0.893 1.00 0.00 N ATOM 1168 CA GLY A 73 8.247 -6.040 -0.541 1.00 0.00 C ATOM 1169 C GLY A 73 7.148 -6.834 -1.247 1.00 0.00 C ATOM 1170 O GLY A 73 5.961 -6.677 -0.924 1.00 0.00 O ATOM 0 H GLY A 73 8.040 -5.558 1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.066 -4.974 -0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.207 -6.263 -1.007 1.00 0.00 H new ATOM 1174 N ASN A 74 7.549 -7.714 -2.192 1.00 0.00 N ATOM 1175 CA ASN A 74 6.604 -8.549 -2.974 1.00 0.00 C ATOM 1176 C ASN A 74 6.552 -10.001 -2.445 1.00 0.00 C ATOM 1177 O ASN A 74 6.056 -10.902 -3.124 1.00 0.00 O ATOM 1178 CB ASN A 74 6.967 -8.533 -4.489 1.00 0.00 C ATOM 1179 CG ASN A 74 8.238 -9.312 -4.856 1.00 0.00 C ATOM 1180 OD1 ASN A 74 9.235 -9.291 -4.134 1.00 0.00 O ATOM 1181 ND2 ASN A 74 8.197 -10.029 -5.971 1.00 0.00 N ATOM 0 H ASN A 74 8.528 -7.866 -2.434 1.00 0.00 H new ATOM 0 HA ASN A 74 5.612 -8.115 -2.851 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.130 -8.945 -5.053 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.088 -7.498 -4.808 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.006 -10.583 -6.251 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.356 -10.026 -6.549 1.00 0.00 H new ATOM 1188 N VAL A 75 7.012 -10.197 -1.201 1.00 0.00 N ATOM 1189 CA VAL A 75 7.160 -11.532 -0.568 1.00 0.00 C ATOM 1190 C VAL A 75 6.538 -11.504 0.847 1.00 0.00 C ATOM 1191 O VAL A 75 6.745 -10.542 1.577 1.00 0.00 O ATOM 1192 CB VAL A 75 8.688 -11.949 -0.478 1.00 0.00 C ATOM 1193 CG1 VAL A 75 8.873 -13.282 0.284 1.00 0.00 C ATOM 1194 CG2 VAL A 75 9.345 -12.033 -1.884 1.00 0.00 C ATOM 0 H VAL A 75 7.297 -9.430 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 75 6.641 -12.268 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 75 9.194 -11.164 0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.933 -13.534 0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.486 -13.179 1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.331 -14.074 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.391 -12.321 -1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.822 -12.776 -2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.283 -11.061 -2.373 1.00 0.00 H new ATOM 1204 N VAL A 76 5.764 -12.550 1.222 1.00 0.00 N ATOM 1205 CA VAL A 76 5.186 -12.689 2.584 1.00 0.00 C ATOM 1206 C VAL A 76 5.588 -14.053 3.193 1.00 0.00 C ATOM 1207 O VAL A 76 5.554 -15.070 2.501 1.00 0.00 O ATOM 1208 CB VAL A 76 3.605 -12.582 2.597 1.00 0.00 C ATOM 1209 CG1 VAL A 76 3.053 -12.490 4.048 1.00 0.00 C ATOM 1210 CG2 VAL A 76 3.094 -11.398 1.742 1.00 0.00 C ATOM 0 H VAL A 76 5.523 -13.318 0.595 1.00 0.00 H new ATOM 0 HA VAL A 76 5.586 -11.864 3.173 1.00 0.00 H new ATOM 0 HB VAL A 76 3.226 -13.499 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.966 -12.418 4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.343 -13.381 4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.463 -11.607 4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.005 -11.364 1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.500 -10.465 2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.416 -11.529 0.709 1.00 0.00 H new ATOM 1220 N ILE A 77 5.969 -14.043 4.484 1.00 0.00 N ATOM 1221 CA ILE A 77 6.177 -15.247 5.305 1.00 0.00 C ATOM 1222 C ILE A 77 4.906 -15.469 6.136 1.00 0.00 C ATOM 1223 O ILE A 77 4.677 -14.740 7.094 1.00 0.00 O ATOM 1224 CB ILE A 77 7.418 -15.028 6.273 1.00 0.00 C ATOM 1225 CG1 ILE A 77 8.773 -15.004 5.488 1.00 0.00 C ATOM 1226 CG2 ILE A 77 7.464 -16.042 7.462 1.00 0.00 C ATOM 1227 CD1 ILE A 77 9.454 -16.356 5.350 1.00 0.00 C ATOM 0 H ILE A 77 6.144 -13.178 4.995 1.00 0.00 H new ATOM 0 HA ILE A 77 6.378 -16.112 4.673 1.00 0.00 H new ATOM 0 HB ILE A 77 7.273 -14.044 6.719 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.592 -14.601 4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.456 -14.319 5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.336 -15.836 8.083 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.559 -15.941 8.062 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.529 -17.058 7.072 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.384 -16.240 4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.672 -16.756 6.340 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.795 -17.043 4.818 1.00 0.00 H new ATOM 1239 N ASP A 78 4.069 -16.440 5.752 1.00 0.00 N ATOM 1240 CA ASP A 78 2.888 -16.841 6.542 1.00 0.00 C ATOM 1241 C ASP A 78 3.301 -17.929 7.533 1.00 0.00 C ATOM 1242 O ASP A 78 3.574 -19.049 7.131 1.00 0.00 O ATOM 1243 CB ASP A 78 1.728 -17.348 5.620 1.00 0.00 C ATOM 1244 CG ASP A 78 1.005 -16.216 4.858 1.00 0.00 C ATOM 1245 OD1 ASP A 78 1.633 -15.592 3.973 1.00 0.00 O ATOM 1246 OD2 ASP A 78 -0.195 -15.946 5.146 1.00 0.00 O ATOM 0 H ASP A 78 4.186 -16.971 4.889 1.00 0.00 H new ATOM 0 HA ASP A 78 2.513 -15.972 7.083 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.132 -18.059 4.900 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.001 -17.888 6.228 1.00 0.00 H new ATOM 1251 N HIS A 79 3.364 -17.589 8.834 1.00 0.00 N ATOM 1252 CA HIS A 79 3.663 -18.566 9.890 1.00 0.00 C ATOM 1253 C HIS A 79 2.334 -19.007 10.516 1.00 0.00 C ATOM 1254 O HIS A 79 1.693 -18.255 11.264 1.00 0.00 O ATOM 1255 CB HIS A 79 4.637 -17.986 10.966 1.00 0.00 C ATOM 1256 CG HIS A 79 5.087 -18.971 12.051 1.00 0.00 C ATOM 1257 ND1 HIS A 79 6.104 -18.681 12.933 1.00 0.00 N ATOM 1258 CD2 HIS A 79 4.640 -20.210 12.420 1.00 0.00 C ATOM 1259 CE1 HIS A 79 6.259 -19.682 13.783 1.00 0.00 C ATOM 1260 NE2 HIS A 79 5.382 -20.616 13.500 1.00 0.00 N ATOM 0 H HIS A 79 3.211 -16.641 9.177 1.00 0.00 H new ATOM 0 HA HIS A 79 4.176 -19.425 9.456 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.522 -17.602 10.459 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.153 -17.137 11.449 1.00 0.00 H new ATOM 0 HD1 HIS A 79 6.655 -17.823 12.931 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.846 -20.768 11.946 1.00 0.00 H new ATOM 0 HE1 HIS A 79 6.988 -19.724 14.579 1.00 0.00 H new ATOM 1269 N GLU A 80 1.957 -20.249 10.194 1.00 0.00 N ATOM 1270 CA GLU A 80 0.731 -20.898 10.659 1.00 0.00 C ATOM 1271 C GLU A 80 1.077 -22.269 11.278 1.00 0.00 C ATOM 1272 O GLU A 80 1.891 -23.027 10.736 1.00 0.00 O ATOM 1273 CB GLU A 80 -0.335 -21.022 9.492 1.00 0.00 C ATOM 1274 CG GLU A 80 0.198 -20.877 8.038 1.00 0.00 C ATOM 1275 CD GLU A 80 1.160 -22.000 7.587 1.00 0.00 C ATOM 1276 OE1 GLU A 80 0.676 -23.087 7.205 1.00 0.00 O ATOM 1277 OE2 GLU A 80 2.395 -21.789 7.602 1.00 0.00 O ATOM 0 H GLU A 80 2.515 -20.847 9.584 1.00 0.00 H new ATOM 0 HA GLU A 80 0.271 -20.280 11.430 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.824 -21.992 9.580 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.102 -20.264 9.650 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.651 -20.849 7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.711 -19.920 7.948 1.00 0.00 H new ATOM 1284 N THR A 81 0.495 -22.539 12.455 1.00 0.00 N ATOM 1285 CA THR A 81 0.571 -23.840 13.105 1.00 0.00 C ATOM 1286 C THR A 81 -0.458 -24.782 12.452 1.00 0.00 C ATOM 1287 O THR A 81 -1.672 -24.663 12.671 1.00 0.00 O ATOM 1288 CB THR A 81 0.319 -23.720 14.641 1.00 0.00 C ATOM 1289 OG1 THR A 81 1.252 -22.777 15.200 1.00 0.00 O ATOM 1290 CG2 THR A 81 0.476 -25.068 15.365 1.00 0.00 C ATOM 0 H THR A 81 -0.044 -21.851 12.980 1.00 0.00 H new ATOM 0 HA THR A 81 1.574 -24.248 12.976 1.00 0.00 H new ATOM 0 HB THR A 81 -0.708 -23.384 14.782 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.164 -23.122 15.103 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.291 -24.932 16.431 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.240 -25.784 14.961 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.488 -25.444 15.218 1.00 0.00 H new ATOM 1298 N VAL A 82 0.053 -25.685 11.613 1.00 0.00 N ATOM 1299 CA VAL A 82 -0.745 -26.678 10.897 1.00 0.00 C ATOM 1300 C VAL A 82 -1.063 -27.871 11.810 1.00 0.00 C ATOM 1301 O VAL A 82 -0.163 -28.587 12.250 1.00 0.00 O ATOM 1302 CB VAL A 82 0.016 -27.169 9.609 1.00 0.00 C ATOM 1303 CG1 VAL A 82 -0.681 -28.388 8.958 1.00 0.00 C ATOM 1304 CG2 VAL A 82 0.182 -26.013 8.601 1.00 0.00 C ATOM 0 H VAL A 82 1.051 -25.747 11.410 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.682 -26.212 10.593 1.00 0.00 H new ATOM 0 HB VAL A 82 1.009 -27.498 9.917 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.124 -28.695 8.073 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.713 -29.212 9.671 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.697 -28.116 8.672 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.710 -26.373 7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.800 -25.641 8.310 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.753 -25.207 9.062 1.00 0.00 H new ATOM 1314 N THR A 83 -2.357 -28.059 12.083 1.00 0.00 N ATOM 1315 CA THR A 83 -2.862 -29.202 12.832 1.00 0.00 C ATOM 1316 C THR A 83 -2.745 -30.478 11.962 1.00 0.00 C ATOM 1317 O THR A 83 -3.308 -30.542 10.859 1.00 0.00 O ATOM 1318 CB THR A 83 -4.353 -28.953 13.256 1.00 0.00 C ATOM 1319 OG1 THR A 83 -4.471 -27.650 13.861 1.00 0.00 O ATOM 1320 CG2 THR A 83 -4.879 -30.028 14.232 1.00 0.00 C ATOM 0 H THR A 83 -3.087 -27.412 11.785 1.00 0.00 H new ATOM 0 HA THR A 83 -2.270 -29.336 13.737 1.00 0.00 H new ATOM 0 HB THR A 83 -4.962 -29.010 12.354 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.402 -27.494 14.124 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.914 -29.808 14.493 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.825 -31.008 13.758 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.270 -30.028 15.136 1.00 0.00 H new ATOM 1328 N ARG A 84 -1.951 -31.447 12.448 1.00 0.00 N ATOM 1329 CA ARG A 84 -1.803 -32.794 11.845 1.00 0.00 C ATOM 1330 C ARG A 84 -2.263 -33.831 12.890 1.00 0.00 C ATOM 1331 O ARG A 84 -2.819 -33.464 13.936 1.00 0.00 O ATOM 1332 CB ARG A 84 -0.312 -33.056 11.433 1.00 0.00 C ATOM 1333 CG ARG A 84 0.311 -31.987 10.505 1.00 0.00 C ATOM 1334 CD ARG A 84 -0.231 -32.031 9.059 1.00 0.00 C ATOM 1335 NE ARG A 84 0.242 -33.212 8.310 1.00 0.00 N ATOM 1336 CZ ARG A 84 1.342 -33.252 7.533 1.00 0.00 C ATOM 1337 NH1 ARG A 84 2.150 -32.196 7.434 1.00 0.00 N ATOM 1338 NH2 ARG A 84 1.644 -34.355 6.873 1.00 0.00 N ATOM 0 H ARG A 84 -1.382 -31.320 13.285 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.410 -32.870 10.943 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.292 -33.125 12.338 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.254 -34.024 10.936 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.122 -30.999 10.925 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.392 -32.123 10.483 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.321 -32.034 9.084 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.074 -31.126 8.533 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.309 -34.067 8.387 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.939 -31.342 7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.979 -32.242 6.842 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.045 -35.177 6.951 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.477 -34.385 6.285 1.00 0.00 H new ATOM 1352 N ASN A 85 -2.039 -35.124 12.610 1.00 0.00 N ATOM 1353 CA ASN A 85 -2.320 -36.214 13.567 1.00 0.00 C ATOM 1354 C ASN A 85 -1.047 -37.013 13.827 1.00 0.00 C ATOM 1355 O ASN A 85 -0.524 -37.665 12.917 1.00 0.00 O ATOM 1356 CB ASN A 85 -3.431 -37.146 13.048 1.00 0.00 C ATOM 1357 CG ASN A 85 -4.747 -36.420 12.800 1.00 0.00 C ATOM 1358 OD1 ASN A 85 -5.018 -35.980 11.688 1.00 0.00 O ATOM 1359 ND2 ASN A 85 -5.558 -36.262 13.836 1.00 0.00 N ATOM 0 H ASN A 85 -1.660 -35.446 11.719 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.667 -35.767 14.498 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -3.101 -37.615 12.121 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.594 -37.946 13.770 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.439 -35.761 13.722 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.301 -36.641 14.747 1.00 0.00 H new ATOM 1366 N PHE A 86 -0.531 -36.928 15.060 1.00 0.00 N ATOM 1367 CA PHE A 86 0.616 -37.723 15.530 1.00 0.00 C ATOM 1368 C PHE A 86 0.126 -38.698 16.629 1.00 0.00 C ATOM 1369 O PHE A 86 -0.672 -38.293 17.481 1.00 0.00 O ATOM 1370 CB PHE A 86 1.748 -36.789 16.066 1.00 0.00 C ATOM 1371 CG PHE A 86 2.535 -35.978 15.021 1.00 0.00 C ATOM 1372 CD1 PHE A 86 2.317 -36.123 13.649 1.00 0.00 C ATOM 1373 CD2 PHE A 86 3.511 -35.059 15.429 1.00 0.00 C ATOM 1374 CE1 PHE A 86 3.037 -35.384 12.729 1.00 0.00 C ATOM 1375 CE2 PHE A 86 4.229 -34.322 14.503 1.00 0.00 C ATOM 1376 CZ PHE A 86 3.992 -34.483 13.156 1.00 0.00 C ATOM 0 H PHE A 86 -0.902 -36.297 15.770 1.00 0.00 H new ATOM 0 HA PHE A 86 1.034 -38.296 14.703 1.00 0.00 H new ATOM 0 HB2 PHE A 86 1.304 -36.089 16.774 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.457 -37.401 16.624 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.573 -36.824 13.301 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.706 -34.924 16.483 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.852 -35.512 11.673 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.977 -33.619 14.838 1.00 0.00 H new ATOM 0 HZ PHE A 86 4.552 -33.906 12.435 1.00 0.00 H new ATOM 1386 N PRO A 87 0.580 -40.003 16.623 1.00 0.00 N ATOM 1387 CA PRO A 87 0.134 -41.030 17.614 1.00 0.00 C ATOM 1388 C PRO A 87 0.449 -40.670 19.096 1.00 0.00 C ATOM 1389 O PRO A 87 -0.159 -41.237 20.015 1.00 0.00 O ATOM 1390 CB PRO A 87 0.887 -42.323 17.165 1.00 0.00 C ATOM 1391 CG PRO A 87 2.035 -41.832 16.338 1.00 0.00 C ATOM 1392 CD PRO A 87 1.525 -40.597 15.634 1.00 0.00 C ATOM 0 HA PRO A 87 -0.951 -41.130 17.612 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.236 -42.896 18.024 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.236 -42.979 16.587 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.898 -41.600 16.962 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.355 -42.589 15.621 1.00 0.00 H new ATOM 0 HD2 PRO A 87 2.335 -39.910 15.389 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.024 -40.845 14.698 1.00 0.00 H new ATOM 1400 N GLU A 88 1.393 -39.733 19.315 1.00 0.00 N ATOM 1401 CA GLU A 88 1.769 -39.263 20.675 1.00 0.00 C ATOM 1402 C GLU A 88 0.759 -38.241 21.242 1.00 0.00 C ATOM 1403 O GLU A 88 0.634 -38.121 22.462 1.00 0.00 O ATOM 1404 CB GLU A 88 3.221 -38.683 20.719 1.00 0.00 C ATOM 1405 CG GLU A 88 3.583 -37.663 19.606 1.00 0.00 C ATOM 1406 CD GLU A 88 4.330 -38.285 18.409 1.00 0.00 C ATOM 1407 OE1 GLU A 88 3.707 -39.013 17.616 1.00 0.00 O ATOM 1408 OE2 GLU A 88 5.545 -38.048 18.261 1.00 0.00 O ATOM 0 H GLU A 88 1.916 -39.280 18.565 1.00 0.00 H new ATOM 0 HA GLU A 88 1.742 -40.145 21.314 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.369 -38.203 21.686 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.924 -39.514 20.665 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.668 -37.192 19.246 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.199 -36.874 20.036 1.00 0.00 H new ATOM 1415 N GLY A 89 0.043 -37.511 20.363 1.00 0.00 N ATOM 1416 CA GLY A 89 -0.984 -36.558 20.816 1.00 0.00 C ATOM 1417 C GLY A 89 -1.628 -35.792 19.670 1.00 0.00 C ATOM 1418 O GLY A 89 -2.267 -36.399 18.817 1.00 0.00 O ATOM 0 H GLY A 89 0.156 -37.563 19.351 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.756 -37.097 21.365 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.534 -35.850 21.512 1.00 0.00 H new ATOM 1422 N LYS A 90 -1.465 -34.452 19.655 1.00 0.00 N ATOM 1423 CA LYS A 90 -2.037 -33.576 18.619 1.00 0.00 C ATOM 1424 C LYS A 90 -1.360 -33.789 17.247 1.00 0.00 C ATOM 1425 O LYS A 90 -1.849 -34.568 16.429 1.00 0.00 O ATOM 1426 CB LYS A 90 -1.944 -32.086 19.079 1.00 0.00 C ATOM 1427 CG LYS A 90 -2.529 -31.046 18.096 1.00 0.00 C ATOM 1428 CD LYS A 90 -4.014 -31.272 17.742 1.00 0.00 C ATOM 1429 CE LYS A 90 -4.927 -31.351 18.976 1.00 0.00 C ATOM 1430 NZ LYS A 90 -6.361 -31.306 18.603 1.00 0.00 N ATOM 0 H LYS A 90 -0.931 -33.949 20.364 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.087 -33.838 18.489 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.459 -31.987 20.034 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.896 -31.844 19.255 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.418 -30.052 18.529 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.942 -31.061 17.178 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.354 -30.461 17.098 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.108 -32.195 17.169 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.722 -32.272 19.522 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.700 -30.524 19.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.945 -31.362 19.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.562 -30.416 18.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.583 -32.109 17.981 1.00 0.00 H new ATOM 1444 N GLY A 91 -0.217 -33.119 17.027 1.00 0.00 N ATOM 1445 CA GLY A 91 0.460 -33.106 15.729 1.00 0.00 C ATOM 1446 C GLY A 91 0.520 -31.713 15.132 1.00 0.00 C ATOM 1447 O GLY A 91 0.661 -31.558 13.921 1.00 0.00 O ATOM 0 H GLY A 91 0.259 -32.574 17.745 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.472 -33.495 15.844 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.061 -33.773 15.042 1.00 0.00 H new ATOM 1451 N GLU A 92 0.498 -30.683 15.988 1.00 0.00 N ATOM 1452 CA GLU A 92 0.388 -29.291 15.530 1.00 0.00 C ATOM 1453 C GLU A 92 1.801 -28.747 15.273 1.00 0.00 C ATOM 1454 O GLU A 92 2.565 -28.462 16.191 1.00 0.00 O ATOM 1455 CB GLU A 92 -0.399 -28.423 16.559 1.00 0.00 C ATOM 1456 CG GLU A 92 0.148 -28.448 18.008 1.00 0.00 C ATOM 1457 CD GLU A 92 -0.620 -27.548 18.990 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -1.867 -27.627 19.028 1.00 0.00 O ATOM 1459 OE2 GLU A 92 0.012 -26.784 19.747 1.00 0.00 O ATOM 0 H GLU A 92 0.555 -30.787 17.001 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.179 -29.249 14.600 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.404 -27.391 16.209 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.436 -28.760 16.575 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.121 -29.474 18.376 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.194 -28.141 17.994 1.00 0.00 H new ATOM 1466 N VAL A 93 2.159 -28.652 13.988 1.00 0.00 N ATOM 1467 CA VAL A 93 3.515 -28.307 13.569 1.00 0.00 C ATOM 1468 C VAL A 93 3.550 -26.849 13.099 1.00 0.00 C ATOM 1469 O VAL A 93 2.638 -26.387 12.412 1.00 0.00 O ATOM 1470 CB VAL A 93 4.028 -29.289 12.436 1.00 0.00 C ATOM 1471 CG1 VAL A 93 3.968 -30.759 12.921 1.00 0.00 C ATOM 1472 CG2 VAL A 93 3.242 -29.125 11.104 1.00 0.00 C ATOM 0 H VAL A 93 1.516 -28.812 13.213 1.00 0.00 H new ATOM 0 HA VAL A 93 4.188 -28.418 14.419 1.00 0.00 H new ATOM 0 HB VAL A 93 5.065 -29.022 12.231 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.324 -31.418 12.129 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.598 -30.877 13.803 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.939 -31.017 13.173 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.634 -29.821 10.362 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.186 -29.335 11.276 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.354 -28.104 10.739 1.00 0.00 H new ATOM 1482 N ASP A 94 4.591 -26.114 13.514 1.00 0.00 N ATOM 1483 CA ASP A 94 4.818 -24.748 13.029 1.00 0.00 C ATOM 1484 C ASP A 94 5.372 -24.829 11.616 1.00 0.00 C ATOM 1485 O ASP A 94 6.241 -25.656 11.351 1.00 0.00 O ATOM 1486 CB ASP A 94 5.820 -23.973 13.917 1.00 0.00 C ATOM 1487 CG ASP A 94 5.307 -23.723 15.342 1.00 0.00 C ATOM 1488 OD1 ASP A 94 4.307 -22.975 15.497 1.00 0.00 O ATOM 1489 OD2 ASP A 94 5.903 -24.244 16.304 1.00 0.00 O ATOM 0 H ASP A 94 5.287 -26.443 14.183 1.00 0.00 H new ATOM 0 HA ASP A 94 3.869 -24.213 13.057 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.755 -24.531 13.968 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.045 -23.016 13.447 1.00 0.00 H new ATOM 1494 N VAL A 95 4.816 -24.024 10.705 1.00 0.00 N ATOM 1495 CA VAL A 95 5.297 -23.905 9.320 1.00 0.00 C ATOM 1496 C VAL A 95 5.399 -22.407 8.976 1.00 0.00 C ATOM 1497 O VAL A 95 4.650 -21.595 9.525 1.00 0.00 O ATOM 1498 CB VAL A 95 4.327 -24.630 8.292 1.00 0.00 C ATOM 1499 CG1 VAL A 95 4.940 -24.706 6.873 1.00 0.00 C ATOM 1500 CG2 VAL A 95 3.895 -26.029 8.791 1.00 0.00 C ATOM 0 H VAL A 95 4.012 -23.430 10.908 1.00 0.00 H new ATOM 0 HA VAL A 95 6.270 -24.391 9.241 1.00 0.00 H new ATOM 0 HB VAL A 95 3.429 -24.016 8.227 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.244 -25.209 6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.133 -23.698 6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.875 -25.264 6.910 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.233 -26.488 8.057 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.777 -26.655 8.926 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.371 -25.930 9.742 1.00 0.00 H new ATOM 1510 N ALA A 96 6.370 -22.043 8.133 1.00 0.00 N ATOM 1511 CA ALA A 96 6.442 -20.731 7.490 1.00 0.00 C ATOM 1512 C ALA A 96 6.350 -20.941 5.975 1.00 0.00 C ATOM 1513 O ALA A 96 7.315 -21.396 5.342 1.00 0.00 O ATOM 1514 CB ALA A 96 7.736 -19.991 7.883 1.00 0.00 C ATOM 0 H ALA A 96 7.139 -22.662 7.875 1.00 0.00 H new ATOM 0 HA ALA A 96 5.615 -20.104 7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.763 -19.019 7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.761 -19.851 8.964 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.600 -20.579 7.573 1.00 0.00 H new ATOM 1520 N CYS A 97 5.176 -20.664 5.409 1.00 0.00 N ATOM 1521 CA CYS A 97 4.918 -20.762 3.979 1.00 0.00 C ATOM 1522 C CYS A 97 5.152 -19.384 3.355 1.00 0.00 C ATOM 1523 O CYS A 97 4.392 -18.444 3.581 1.00 0.00 O ATOM 1524 CB CYS A 97 3.483 -21.264 3.742 1.00 0.00 C ATOM 1525 SG CYS A 97 3.161 -22.888 4.459 1.00 0.00 S ATOM 0 H CYS A 97 4.364 -20.359 5.945 1.00 0.00 H new ATOM 0 HA CYS A 97 5.592 -21.479 3.509 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.781 -20.544 4.162 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.293 -21.305 2.669 1.00 0.00 H new ATOM 0 HG CYS A 97 2.897 -22.759 5.725 1.00 0.00 H new ATOM 1531 N ILE A 98 6.246 -19.282 2.602 1.00 0.00 N ATOM 1532 CA ILE A 98 6.748 -18.031 2.028 1.00 0.00 C ATOM 1533 C ILE A 98 6.385 -17.942 0.529 1.00 0.00 C ATOM 1534 O ILE A 98 6.879 -18.721 -0.294 1.00 0.00 O ATOM 1535 CB ILE A 98 8.306 -17.890 2.276 1.00 0.00 C ATOM 1536 CG1 ILE A 98 8.912 -16.683 1.479 1.00 0.00 C ATOM 1537 CG2 ILE A 98 9.070 -19.216 2.017 1.00 0.00 C ATOM 1538 CD1 ILE A 98 10.406 -16.465 1.662 1.00 0.00 C ATOM 0 H ILE A 98 6.825 -20.088 2.367 1.00 0.00 H new ATOM 0 HA ILE A 98 6.266 -17.191 2.529 1.00 0.00 H new ATOM 0 HB ILE A 98 8.440 -17.669 3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 98 8.711 -16.832 0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.390 -15.774 1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.134 -19.065 2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.692 -19.990 2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.921 -19.525 0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 98 10.724 -15.607 1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.620 -16.278 2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.946 -17.353 1.334 1.00 0.00 H new ATOM 1550 N TYR A 99 5.488 -16.998 0.202 1.00 0.00 N ATOM 1551 CA TYR A 99 4.988 -16.778 -1.167 1.00 0.00 C ATOM 1552 C TYR A 99 5.660 -15.541 -1.775 1.00 0.00 C ATOM 1553 O TYR A 99 5.689 -14.479 -1.145 1.00 0.00 O ATOM 1554 CB TYR A 99 3.451 -16.554 -1.164 1.00 0.00 C ATOM 1555 CG TYR A 99 2.644 -17.580 -0.356 1.00 0.00 C ATOM 1556 CD1 TYR A 99 2.377 -17.374 1.000 1.00 0.00 C ATOM 1557 CD2 TYR A 99 2.139 -18.740 -0.944 1.00 0.00 C ATOM 1558 CE1 TYR A 99 1.644 -18.288 1.734 1.00 0.00 C ATOM 1559 CE2 TYR A 99 1.404 -19.657 -0.213 1.00 0.00 C ATOM 1560 CZ TYR A 99 1.156 -19.423 1.124 1.00 0.00 C ATOM 1561 OH TYR A 99 0.430 -20.340 1.856 1.00 0.00 O ATOM 0 H TYR A 99 5.085 -16.359 0.887 1.00 0.00 H new ATOM 0 HA TYR A 99 5.222 -17.664 -1.757 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.245 -15.560 -0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.096 -16.566 -2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.750 -16.484 1.484 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.325 -18.926 -1.991 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.454 -18.113 2.783 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.026 -20.551 -0.687 1.00 0.00 H new ATOM 0 HH TYR A 99 0.159 -21.081 1.275 1.00 0.00 H new ATOM 1571 N GLU A 100 6.198 -15.684 -2.992 1.00 0.00 N ATOM 1572 CA GLU A 100 6.653 -14.551 -3.803 1.00 0.00 C ATOM 1573 C GLU A 100 5.583 -14.221 -4.855 1.00 0.00 C ATOM 1574 O GLU A 100 5.322 -15.009 -5.779 1.00 0.00 O ATOM 1575 CB GLU A 100 8.018 -14.858 -4.469 1.00 0.00 C ATOM 1576 CG GLU A 100 8.591 -13.693 -5.304 1.00 0.00 C ATOM 1577 CD GLU A 100 10.043 -13.923 -5.754 1.00 0.00 C ATOM 1578 OE1 GLU A 100 10.945 -13.865 -4.898 1.00 0.00 O ATOM 1579 OE2 GLU A 100 10.291 -14.159 -6.961 1.00 0.00 O ATOM 0 H GLU A 100 6.330 -16.590 -3.442 1.00 0.00 H new ATOM 0 HA GLU A 100 6.797 -13.683 -3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 100 8.737 -15.122 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.908 -15.731 -5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.965 -13.543 -6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.541 -12.776 -4.717 1.00 0.00 H new ATOM 1586 N VAL A 101 4.963 -13.055 -4.677 1.00 0.00 N ATOM 1587 CA VAL A 101 3.918 -12.529 -5.557 1.00 0.00 C ATOM 1588 C VAL A 101 4.553 -11.591 -6.602 1.00 0.00 C ATOM 1589 O VAL A 101 5.083 -10.532 -6.257 1.00 0.00 O ATOM 1590 CB VAL A 101 2.834 -11.759 -4.707 1.00 0.00 C ATOM 1591 CG1 VAL A 101 1.668 -11.237 -5.586 1.00 0.00 C ATOM 1592 CG2 VAL A 101 2.302 -12.641 -3.552 1.00 0.00 C ATOM 0 H VAL A 101 5.178 -12.434 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 101 3.427 -13.354 -6.073 1.00 0.00 H new ATOM 0 HB VAL A 101 3.327 -10.889 -4.274 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.946 -10.714 -4.959 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.058 -10.552 -6.339 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.179 -12.078 -6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.557 -12.085 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.847 -13.542 -3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.127 -12.918 -2.896 1.00 0.00 H new ATOM 1602 N GLU A 102 4.505 -11.998 -7.876 1.00 0.00 N ATOM 1603 CA GLU A 102 5.029 -11.215 -9.012 1.00 0.00 C ATOM 1604 C GLU A 102 3.888 -10.941 -10.006 1.00 0.00 C ATOM 1605 O GLU A 102 3.129 -11.852 -10.344 1.00 0.00 O ATOM 1606 CB GLU A 102 6.189 -11.992 -9.690 1.00 0.00 C ATOM 1607 CG GLU A 102 6.802 -11.315 -10.929 1.00 0.00 C ATOM 1608 CD GLU A 102 7.992 -12.101 -11.512 1.00 0.00 C ATOM 1609 OE1 GLU A 102 7.777 -12.986 -12.368 1.00 0.00 O ATOM 1610 OE2 GLU A 102 9.146 -11.844 -11.104 1.00 0.00 O ATOM 0 H GLU A 102 4.097 -12.890 -8.155 1.00 0.00 H new ATOM 0 HA GLU A 102 5.420 -10.260 -8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.978 -12.148 -8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.824 -12.977 -9.979 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.034 -11.206 -11.695 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.131 -10.311 -10.663 1.00 0.00 H new ATOM 1617 N ASN A 103 3.774 -9.674 -10.460 1.00 0.00 N ATOM 1618 CA ASN A 103 2.729 -9.218 -11.416 1.00 0.00 C ATOM 1619 C ASN A 103 1.300 -9.376 -10.820 1.00 0.00 C ATOM 1620 O ASN A 103 0.316 -9.560 -11.551 1.00 0.00 O ATOM 1621 CB ASN A 103 2.864 -9.966 -12.787 1.00 0.00 C ATOM 1622 CG ASN A 103 4.257 -9.847 -13.428 1.00 0.00 C ATOM 1623 OD1 ASN A 103 4.936 -8.827 -13.288 1.00 0.00 O ATOM 1624 ND2 ASN A 103 4.704 -10.895 -14.114 1.00 0.00 N ATOM 0 H ASN A 103 4.408 -8.928 -10.173 1.00 0.00 H new ATOM 0 HA ASN A 103 2.885 -8.155 -11.597 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.632 -11.021 -12.639 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.121 -9.571 -13.480 1.00 0.00 H new ATOM 0 HD21 ASN A 103 5.630 -10.868 -14.540 1.00 0.00 H new ATOM 0 HD22 ASN A 103 4.121 -11.726 -14.214 1.00 0.00 H new ATOM 1631 N GLY A 104 1.210 -9.254 -9.477 1.00 0.00 N ATOM 1632 CA GLY A 104 -0.066 -9.351 -8.748 1.00 0.00 C ATOM 1633 C GLY A 104 -0.475 -10.784 -8.380 1.00 0.00 C ATOM 1634 O GLY A 104 -1.430 -10.985 -7.626 1.00 0.00 O ATOM 0 H GLY A 104 2.016 -9.087 -8.875 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.005 -8.760 -7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.853 -8.906 -9.356 1.00 0.00 H new ATOM 1638 N ARG A 105 0.272 -11.788 -8.875 1.00 0.00 N ATOM 1639 CA ARG A 105 -0.064 -13.225 -8.720 1.00 0.00 C ATOM 1640 C ARG A 105 1.173 -13.984 -8.218 1.00 0.00 C ATOM 1641 O ARG A 105 2.293 -13.619 -8.552 1.00 0.00 O ATOM 1642 CB ARG A 105 -0.550 -13.826 -10.075 1.00 0.00 C ATOM 1643 CG ARG A 105 -1.815 -13.164 -10.680 1.00 0.00 C ATOM 1644 CD ARG A 105 -3.082 -13.356 -9.821 1.00 0.00 C ATOM 1645 NE ARG A 105 -4.233 -12.619 -10.386 1.00 0.00 N ATOM 1646 CZ ARG A 105 -5.521 -13.016 -10.371 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -5.876 -14.193 -9.880 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -6.448 -12.221 -10.882 1.00 0.00 N ATOM 0 H ARG A 105 1.133 -11.629 -9.398 1.00 0.00 H new ATOM 0 HA ARG A 105 -0.872 -13.325 -7.995 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.261 -13.749 -10.799 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -0.750 -14.888 -9.931 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -1.631 -12.097 -10.808 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.993 -13.578 -11.672 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -3.323 -14.417 -9.757 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.890 -13.011 -8.805 1.00 0.00 H new ATOM 0 HE ARG A 105 -4.033 -11.723 -10.830 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -5.168 -14.822 -9.502 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.858 -14.471 -9.880 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -6.184 -11.320 -11.281 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -7.426 -12.509 -10.877 1.00 0.00 H new ATOM 1662 N ILE A 106 0.962 -15.036 -7.417 1.00 0.00 N ATOM 1663 CA ILE A 106 2.058 -15.817 -6.817 1.00 0.00 C ATOM 1664 C ILE A 106 2.825 -16.595 -7.898 1.00 0.00 C ATOM 1665 O ILE A 106 2.346 -17.604 -8.400 1.00 0.00 O ATOM 1666 CB ILE A 106 1.512 -16.782 -5.704 1.00 0.00 C ATOM 1667 CG1 ILE A 106 0.838 -15.949 -4.577 1.00 0.00 C ATOM 1668 CG2 ILE A 106 2.618 -17.705 -5.133 1.00 0.00 C ATOM 1669 CD1 ILE A 106 0.353 -16.757 -3.406 1.00 0.00 C ATOM 0 H ILE A 106 0.032 -15.371 -7.166 1.00 0.00 H new ATOM 0 HA ILE A 106 2.754 -15.123 -6.345 1.00 0.00 H new ATOM 0 HB ILE A 106 0.769 -17.438 -6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.549 -15.205 -4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.006 -15.405 -5.001 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.192 -18.353 -4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.033 -18.315 -5.935 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.409 -17.097 -4.694 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.102 -16.094 -2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.385 -17.483 -3.746 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.194 -17.280 -2.952 1.00 0.00 H new ATOM 1681 N ALA A 107 4.004 -16.076 -8.273 1.00 0.00 N ATOM 1682 CA ALA A 107 4.872 -16.695 -9.297 1.00 0.00 C ATOM 1683 C ALA A 107 5.701 -17.840 -8.700 1.00 0.00 C ATOM 1684 O ALA A 107 6.178 -18.718 -9.428 1.00 0.00 O ATOM 1685 CB ALA A 107 5.784 -15.633 -9.928 1.00 0.00 C ATOM 0 H ALA A 107 4.386 -15.217 -7.878 1.00 0.00 H new ATOM 0 HA ALA A 107 4.237 -17.118 -10.076 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.419 -16.100 -10.681 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.174 -14.861 -10.396 1.00 0.00 H new ATOM 0 HB3 ALA A 107 6.408 -15.183 -9.155 1.00 0.00 H new ATOM 1691 N LYS A 108 5.888 -17.805 -7.369 1.00 0.00 N ATOM 1692 CA LYS A 108 6.670 -18.807 -6.613 1.00 0.00 C ATOM 1693 C LYS A 108 6.081 -18.933 -5.208 1.00 0.00 C ATOM 1694 O LYS A 108 5.677 -17.930 -4.624 1.00 0.00 O ATOM 1695 CB LYS A 108 8.157 -18.375 -6.482 1.00 0.00 C ATOM 1696 CG LYS A 108 8.939 -18.250 -7.810 1.00 0.00 C ATOM 1697 CD LYS A 108 10.235 -17.437 -7.651 1.00 0.00 C ATOM 1698 CE LYS A 108 10.916 -17.131 -8.986 1.00 0.00 C ATOM 1699 NZ LYS A 108 12.011 -16.148 -8.818 1.00 0.00 N ATOM 0 H LYS A 108 5.496 -17.072 -6.778 1.00 0.00 H new ATOM 0 HA LYS A 108 6.624 -19.756 -7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 108 8.193 -17.414 -5.969 1.00 0.00 H new ATOM 0 HB3 LYS A 108 8.671 -19.096 -5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.181 -19.246 -8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.305 -17.776 -8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.010 -16.500 -7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.927 -17.988 -7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.313 -18.052 -9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.181 -16.743 -9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.272 -15.757 -9.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.694 -15.378 -8.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.837 -16.618 -8.395 1.00 0.00 H new ATOM 1713 N ALA A 109 6.064 -20.150 -4.667 1.00 0.00 N ATOM 1714 CA ALA A 109 5.619 -20.416 -3.295 1.00 0.00 C ATOM 1715 C ALA A 109 6.430 -21.572 -2.728 1.00 0.00 C ATOM 1716 O ALA A 109 6.626 -22.588 -3.387 1.00 0.00 O ATOM 1717 CB ALA A 109 4.121 -20.731 -3.251 1.00 0.00 C ATOM 0 H ALA A 109 6.360 -20.987 -5.170 1.00 0.00 H new ATOM 0 HA ALA A 109 5.780 -19.525 -2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.820 -20.924 -2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 109 3.559 -19.882 -3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.916 -21.612 -3.860 1.00 0.00 H new ATOM 1723 N TRP A 110 6.899 -21.400 -1.502 1.00 0.00 N ATOM 1724 CA TRP A 110 7.782 -22.346 -0.822 1.00 0.00 C ATOM 1725 C TRP A 110 7.220 -22.562 0.588 1.00 0.00 C ATOM 1726 O TRP A 110 6.590 -21.655 1.134 1.00 0.00 O ATOM 1727 CB TRP A 110 9.236 -21.770 -0.765 1.00 0.00 C ATOM 1728 CG TRP A 110 9.722 -21.121 -2.057 1.00 0.00 C ATOM 1729 CD1 TRP A 110 9.928 -21.736 -3.254 1.00 0.00 C ATOM 1730 CD2 TRP A 110 10.039 -19.732 -2.273 1.00 0.00 C ATOM 1731 NE1 TRP A 110 10.374 -20.838 -4.184 1.00 0.00 N ATOM 1732 CE2 TRP A 110 10.445 -19.601 -3.608 1.00 0.00 C ATOM 1733 CE3 TRP A 110 10.024 -18.593 -1.470 1.00 0.00 C ATOM 1734 CZ2 TRP A 110 10.835 -18.382 -4.156 1.00 0.00 C ATOM 1735 CZ3 TRP A 110 10.403 -17.379 -2.014 1.00 0.00 C ATOM 1736 CH2 TRP A 110 10.808 -17.284 -3.345 1.00 0.00 C ATOM 0 H TRP A 110 6.674 -20.582 -0.936 1.00 0.00 H new ATOM 0 HA TRP A 110 7.827 -23.296 -1.355 1.00 0.00 H new ATOM 0 HB2 TRP A 110 9.288 -21.033 0.036 1.00 0.00 H new ATOM 0 HB3 TRP A 110 9.920 -22.576 -0.501 1.00 0.00 H new ATOM 0 HD1 TRP A 110 9.762 -22.786 -3.443 1.00 0.00 H new ATOM 0 HE1 TRP A 110 10.615 -21.056 -5.151 1.00 0.00 H new ATOM 0 HE3 TRP A 110 9.720 -18.657 -0.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 11.148 -18.308 -5.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 10.385 -16.492 -1.399 1.00 0.00 H new ATOM 0 HH2 TRP A 110 11.106 -16.325 -3.741 1.00 0.00 H new ATOM 1747 N PHE A 111 7.415 -23.750 1.172 1.00 0.00 N ATOM 1748 CA PHE A 111 7.011 -24.001 2.569 1.00 0.00 C ATOM 1749 C PHE A 111 8.156 -24.704 3.301 1.00 0.00 C ATOM 1750 O PHE A 111 8.904 -25.494 2.698 1.00 0.00 O ATOM 1751 CB PHE A 111 5.667 -24.806 2.659 1.00 0.00 C ATOM 1752 CG PHE A 111 5.798 -26.333 2.659 1.00 0.00 C ATOM 1753 CD1 PHE A 111 5.893 -27.054 1.472 1.00 0.00 C ATOM 1754 CD2 PHE A 111 5.838 -27.046 3.867 1.00 0.00 C ATOM 1755 CE1 PHE A 111 6.019 -28.433 1.488 1.00 0.00 C ATOM 1756 CE2 PHE A 111 5.969 -28.418 3.885 1.00 0.00 C ATOM 1757 CZ PHE A 111 6.060 -29.115 2.694 1.00 0.00 C ATOM 0 H PHE A 111 7.846 -24.549 0.708 1.00 0.00 H new ATOM 0 HA PHE A 111 6.814 -23.047 3.058 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.147 -24.506 3.569 1.00 0.00 H new ATOM 0 HB3 PHE A 111 5.035 -24.515 1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.868 -26.532 0.527 1.00 0.00 H new ATOM 0 HD2 PHE A 111 5.765 -26.509 4.801 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.085 -28.979 0.558 1.00 0.00 H new ATOM 0 HE2 PHE A 111 6.000 -28.947 4.826 1.00 0.00 H new ATOM 0 HZ PHE A 111 6.163 -30.190 2.704 1.00 0.00 H new ATOM 1767 N LYS A 112 8.286 -24.401 4.590 1.00 0.00 N ATOM 1768 CA LYS A 112 9.305 -24.992 5.460 1.00 0.00 C ATOM 1769 C LYS A 112 8.712 -25.167 6.862 1.00 0.00 C ATOM 1770 O LYS A 112 8.134 -24.229 7.410 1.00 0.00 O ATOM 1771 CB LYS A 112 10.576 -24.094 5.463 1.00 0.00 C ATOM 1772 CG LYS A 112 10.342 -22.650 5.945 1.00 0.00 C ATOM 1773 CD LYS A 112 11.598 -21.762 5.843 1.00 0.00 C ATOM 1774 CE LYS A 112 11.410 -20.429 6.578 1.00 0.00 C ATOM 1775 NZ LYS A 112 11.233 -20.637 8.042 1.00 0.00 N ATOM 0 H LYS A 112 7.682 -23.732 5.067 1.00 0.00 H new ATOM 0 HA LYS A 112 9.606 -25.974 5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.330 -24.557 6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.985 -24.064 4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.541 -22.203 5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.003 -22.670 6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.453 -22.292 6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.825 -21.571 4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.275 -19.789 6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.541 -19.909 6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.176 -19.715 8.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.357 -21.170 8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.042 -21.172 8.417 1.00 0.00 H new ATOM 1789 N ILE A 113 8.835 -26.368 7.443 1.00 0.00 N ATOM 1790 CA ILE A 113 8.245 -26.672 8.756 1.00 0.00 C ATOM 1791 C ILE A 113 9.254 -26.336 9.859 1.00 0.00 C ATOM 1792 O ILE A 113 10.378 -26.853 9.867 1.00 0.00 O ATOM 1793 CB ILE A 113 7.761 -28.172 8.847 1.00 0.00 C ATOM 1794 CG1 ILE A 113 6.534 -28.384 7.898 1.00 0.00 C ATOM 1795 CG2 ILE A 113 7.408 -28.592 10.309 1.00 0.00 C ATOM 1796 CD1 ILE A 113 6.128 -29.830 7.693 1.00 0.00 C ATOM 0 H ILE A 113 9.340 -27.149 7.023 1.00 0.00 H new ATOM 0 HA ILE A 113 7.357 -26.054 8.891 1.00 0.00 H new ATOM 0 HB ILE A 113 8.584 -28.811 8.528 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.682 -27.836 8.301 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.764 -27.945 6.927 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.080 -29.632 10.320 1.00 0.00 H new ATOM 0 HG22 ILE A 113 8.289 -28.482 10.942 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.608 -27.956 10.687 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.270 -29.875 7.022 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.960 -30.383 7.257 1.00 0.00 H new ATOM 0 HD13 ILE A 113 5.861 -30.273 8.653 1.00 0.00 H new ATOM 1808 N GLY A 114 8.832 -25.419 10.747 1.00 0.00 N ATOM 1809 CA GLY A 114 9.616 -24.997 11.911 1.00 0.00 C ATOM 1810 C GLY A 114 9.961 -26.146 12.858 1.00 0.00 C ATOM 1811 O GLY A 114 11.127 -26.537 12.956 1.00 0.00 O ATOM 0 H GLY A 114 7.930 -24.949 10.673 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.539 -24.529 11.568 1.00 0.00 H new ATOM 0 HA3 GLY A 114 9.058 -24.238 12.460 1.00 0.00 H new ATOM 1815 N GLU A 115 8.943 -26.698 13.544 1.00 0.00 N ATOM 1816 CA GLU A 115 9.118 -27.858 14.434 1.00 0.00 C ATOM 1817 C GLU A 115 7.756 -28.556 14.637 1.00 0.00 C ATOM 1818 O GLU A 115 6.715 -27.957 14.344 1.00 0.00 O ATOM 1819 CB GLU A 115 9.708 -27.417 15.813 1.00 0.00 C ATOM 1820 CG GLU A 115 8.680 -26.818 16.803 1.00 0.00 C ATOM 1821 CD GLU A 115 9.279 -26.402 18.158 1.00 0.00 C ATOM 1822 OE1 GLU A 115 10.255 -27.040 18.620 1.00 0.00 O ATOM 1823 OE2 GLU A 115 8.762 -25.454 18.790 1.00 0.00 O ATOM 0 H GLU A 115 7.984 -26.355 13.497 1.00 0.00 H new ATOM 0 HA GLU A 115 9.820 -28.553 13.974 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.181 -28.280 16.282 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.492 -26.681 15.637 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.213 -25.948 16.342 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.890 -27.549 16.976 1.00 0.00 H new ATOM 1830 N PRO A 116 7.735 -29.824 15.137 1.00 0.00 N ATOM 1831 CA PRO A 116 6.499 -30.437 15.657 1.00 0.00 C ATOM 1832 C PRO A 116 6.186 -29.971 17.090 1.00 0.00 C ATOM 1833 O PRO A 116 7.102 -29.725 17.885 1.00 0.00 O ATOM 1834 CB PRO A 116 6.831 -31.942 15.619 1.00 0.00 C ATOM 1835 CG PRO A 116 8.297 -31.995 15.899 1.00 0.00 C ATOM 1836 CD PRO A 116 8.880 -30.788 15.188 1.00 0.00 C ATOM 0 HA PRO A 116 5.614 -30.169 15.080 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.262 -32.495 16.366 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.594 -32.379 14.649 1.00 0.00 H new ATOM 0 HG2 PRO A 116 8.495 -31.955 16.970 1.00 0.00 H new ATOM 0 HG3 PRO A 116 8.736 -32.921 15.528 1.00 0.00 H new ATOM 0 HD2 PRO A 116 9.729 -30.374 15.731 1.00 0.00 H new ATOM 0 HD3 PRO A 116 9.234 -31.043 14.189 1.00 0.00 H new ATOM 1844 N ARG A 117 4.889 -29.822 17.408 1.00 0.00 N ATOM 1845 CA ARG A 117 4.420 -29.604 18.789 1.00 0.00 C ATOM 1846 C ARG A 117 3.237 -30.532 19.113 1.00 0.00 C ATOM 1847 O ARG A 117 2.389 -30.822 18.258 1.00 0.00 O ATOM 1848 CB ARG A 117 4.050 -28.115 19.053 1.00 0.00 C ATOM 1849 CG ARG A 117 5.264 -27.157 19.115 1.00 0.00 C ATOM 1850 CD ARG A 117 4.886 -25.740 19.576 1.00 0.00 C ATOM 1851 NE ARG A 117 4.116 -25.003 18.552 1.00 0.00 N ATOM 1852 CZ ARG A 117 2.879 -24.512 18.683 1.00 0.00 C ATOM 1853 NH1 ARG A 117 2.137 -24.792 19.746 1.00 0.00 N ATOM 1854 NH2 ARG A 117 2.384 -23.759 17.716 1.00 0.00 N ATOM 0 H ARG A 117 4.138 -29.849 16.719 1.00 0.00 H new ATOM 0 HA ARG A 117 5.246 -29.850 19.456 1.00 0.00 H new ATOM 0 HB2 ARG A 117 3.375 -27.776 18.267 1.00 0.00 H new ATOM 0 HB3 ARG A 117 3.503 -28.050 19.994 1.00 0.00 H new ATOM 0 HG2 ARG A 117 6.010 -27.568 19.795 1.00 0.00 H new ATOM 0 HG3 ARG A 117 5.727 -27.102 18.130 1.00 0.00 H new ATOM 0 HD2 ARG A 117 4.300 -25.803 20.493 1.00 0.00 H new ATOM 0 HD3 ARG A 117 5.793 -25.184 19.815 1.00 0.00 H new ATOM 0 HE ARG A 117 4.575 -24.854 17.653 1.00 0.00 H new ATOM 0 HH11 ARG A 117 2.508 -25.392 20.483 1.00 0.00 H new ATOM 0 HH12 ARG A 117 1.196 -24.407 19.827 1.00 0.00 H new ATOM 0 HH21 ARG A 117 2.944 -23.561 16.887 1.00 0.00 H new ATOM 0 HH22 ARG A 117 1.442 -23.376 17.799 1.00 0.00 H new ATOM 1868 N ILE A 118 3.218 -31.015 20.363 1.00 0.00 N ATOM 1869 CA ILE A 118 2.172 -31.889 20.904 1.00 0.00 C ATOM 1870 C ILE A 118 1.674 -31.278 22.219 1.00 0.00 C ATOM 1871 O ILE A 118 2.475 -31.027 23.128 1.00 0.00 O ATOM 1872 CB ILE A 118 2.723 -33.350 21.152 1.00 0.00 C ATOM 1873 CG1 ILE A 118 3.211 -34.003 19.826 1.00 0.00 C ATOM 1874 CG2 ILE A 118 1.664 -34.250 21.834 1.00 0.00 C ATOM 1875 CD1 ILE A 118 2.095 -34.334 18.859 1.00 0.00 C ATOM 0 H ILE A 118 3.949 -30.802 21.042 1.00 0.00 H new ATOM 0 HA ILE A 118 1.354 -31.967 20.188 1.00 0.00 H new ATOM 0 HB ILE A 118 3.575 -33.259 21.825 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.914 -33.328 19.337 1.00 0.00 H new ATOM 0 HG13 ILE A 118 3.757 -34.916 20.062 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.078 -35.246 21.988 1.00 0.00 H new ATOM 0 HG22 ILE A 118 1.386 -33.820 22.796 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.781 -34.319 21.198 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.515 -34.785 17.960 1.00 0.00 H new ATOM 0 HD12 ILE A 118 1.403 -35.034 19.328 1.00 0.00 H new ATOM 0 HD13 ILE A 118 1.562 -33.421 18.592 1.00 0.00 H new ATOM 1887 N VAL A 119 0.353 -31.049 22.310 1.00 0.00 N ATOM 1888 CA VAL A 119 -0.280 -30.475 23.523 1.00 0.00 C ATOM 1889 C VAL A 119 -0.220 -31.496 24.681 1.00 0.00 C ATOM 1890 O VAL A 119 -0.056 -31.127 25.841 1.00 0.00 O ATOM 1891 CB VAL A 119 -1.779 -30.047 23.262 1.00 0.00 C ATOM 1892 CG1 VAL A 119 -2.407 -29.343 24.500 1.00 0.00 C ATOM 1893 CG2 VAL A 119 -1.887 -29.146 22.012 1.00 0.00 C ATOM 0 H VAL A 119 -0.305 -31.252 21.557 1.00 0.00 H new ATOM 0 HA VAL A 119 0.278 -29.578 23.792 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.346 -30.960 23.081 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -3.437 -29.066 24.277 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.390 -30.022 25.352 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.834 -28.447 24.739 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.928 -28.866 21.855 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.287 -28.248 22.158 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -1.521 -29.688 21.140 1.00 0.00 H new ATOM 1903 N SER A 120 -0.323 -32.785 24.313 1.00 0.00 N ATOM 1904 CA SER A 120 -0.312 -33.924 25.253 1.00 0.00 C ATOM 1905 C SER A 120 1.104 -34.208 25.826 1.00 0.00 C ATOM 1906 O SER A 120 1.233 -34.877 26.858 1.00 0.00 O ATOM 1907 CB SER A 120 -0.853 -35.173 24.521 1.00 0.00 C ATOM 1908 OG SER A 120 -2.088 -34.890 23.883 1.00 0.00 O ATOM 0 H SER A 120 -0.418 -33.071 23.339 1.00 0.00 H new ATOM 0 HA SER A 120 -0.947 -33.672 26.103 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.126 -35.510 23.782 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.985 -35.988 25.233 1.00 0.00 H new ATOM 0 HG SER A 120 -2.411 -35.694 23.425 1.00 0.00 H new ATOM 1914 N GLN A 121 2.157 -33.699 25.134 1.00 0.00 N ATOM 1915 CA GLN A 121 3.579 -33.876 25.547 1.00 0.00 C ATOM 1916 C GLN A 121 3.885 -33.011 26.789 1.00 0.00 C ATOM 1917 O GLN A 121 4.820 -33.287 27.551 1.00 0.00 O ATOM 1918 CB GLN A 121 4.523 -33.509 24.359 1.00 0.00 C ATOM 1919 CG GLN A 121 6.026 -33.783 24.568 1.00 0.00 C ATOM 1920 CD GLN A 121 6.346 -35.249 24.864 1.00 0.00 C ATOM 1921 OE1 GLN A 121 6.423 -35.662 26.022 1.00 0.00 O ATOM 1922 NE2 GLN A 121 6.482 -36.055 23.817 1.00 0.00 N ATOM 0 H GLN A 121 2.047 -33.156 24.277 1.00 0.00 H new ATOM 0 HA GLN A 121 3.751 -34.919 25.814 1.00 0.00 H new ATOM 0 HB2 GLN A 121 4.194 -34.061 23.478 1.00 0.00 H new ATOM 0 HB3 GLN A 121 4.396 -32.449 24.137 1.00 0.00 H new ATOM 0 HG2 GLN A 121 6.571 -33.474 23.676 1.00 0.00 H new ATOM 0 HG3 GLN A 121 6.388 -33.167 25.392 1.00 0.00 H new ATOM 0 HE21 GLN A 121 6.412 -35.679 22.871 1.00 0.00 H new ATOM 0 HE22 GLN A 121 6.656 -37.050 23.959 1.00 0.00 H new ATOM 1931 N LYS A 122 3.076 -31.960 26.967 1.00 0.00 N ATOM 1932 CA LYS A 122 3.101 -31.079 28.138 1.00 0.00 C ATOM 1933 C LYS A 122 1.834 -31.337 28.972 1.00 0.00 C ATOM 1934 O LYS A 122 0.734 -31.428 28.424 1.00 0.00 O ATOM 1935 CB LYS A 122 3.163 -29.606 27.663 1.00 0.00 C ATOM 1936 CG LYS A 122 3.073 -28.539 28.781 1.00 0.00 C ATOM 1937 CD LYS A 122 3.059 -27.092 28.225 1.00 0.00 C ATOM 1938 CE LYS A 122 1.906 -26.850 27.229 1.00 0.00 C ATOM 1939 NZ LYS A 122 1.842 -25.438 26.785 1.00 0.00 N ATOM 0 H LYS A 122 2.368 -31.693 26.283 1.00 0.00 H new ATOM 0 HA LYS A 122 3.977 -31.278 28.755 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.095 -29.458 27.118 1.00 0.00 H new ATOM 0 HB3 LYS A 122 2.350 -29.436 26.957 1.00 0.00 H new ATOM 0 HG2 LYS A 122 2.170 -28.708 29.367 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.919 -28.656 29.458 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.972 -26.389 29.054 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.009 -26.887 27.732 1.00 0.00 H new ATOM 0 HE2 LYS A 122 2.035 -27.497 26.361 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.960 -27.126 27.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 1.054 -25.320 26.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 1.693 -24.821 27.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 2.734 -25.181 26.317 1.00 0.00 H new ATOM 1953 N SER A 123 1.992 -31.453 30.297 1.00 0.00 N ATOM 1954 CA SER A 123 0.870 -31.690 31.221 1.00 0.00 C ATOM 1955 C SER A 123 1.099 -30.865 32.512 1.00 0.00 C ATOM 1956 O SER A 123 2.003 -31.222 33.304 1.00 0.00 O ATOM 1957 CB SER A 123 0.736 -33.210 31.512 1.00 0.00 C ATOM 1958 OG SER A 123 -0.486 -33.515 32.160 1.00 0.00 O ATOM 1959 OXT SER A 123 0.398 -29.851 32.723 1.00 0.00 O ATOM 0 H SER A 123 2.898 -31.386 30.760 1.00 0.00 H new ATOM 0 HA SER A 123 -0.069 -31.365 30.773 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.800 -33.766 30.577 1.00 0.00 H new ATOM 0 HB3 SER A 123 1.569 -33.536 32.135 1.00 0.00 H new ATOM 0 HG SER A 123 -0.537 -34.480 32.326 1.00 0.00 H new TER 1965 SER A 123