USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 578 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 40 SER OG : rot 109:sc= 1.06 USER MOD Set 1.2: A 44 LYS NZ :NH3+ 171:sc= 1.17 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.881 K(o=0.88,f=-5.7!) USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= -0.249 (180deg=-0.631) USER MOD Single : A 37 LYS NZ :NH3+ 176:sc=-0.00965 (180deg=-0.0149) USER MOD Single : A 43 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0141) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -169:sc= -1.69 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 149:sc= 1.89 (180deg=1.21) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00865 USER MOD Single : A 67 ASN : amide:sc= 0.378 X(o=0.38,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -164:sc= 1.32 (180deg=1.11) USER MOD Single : A 79 HIS : no HD1:sc= -0.0601 X(o=-0.06,f=-0.51) USER MOD Single : A 82 ASN : amide:sc= -1.74! K(o=-1.7!,f=-0.075) USER MOD Single : A 86 ASN : amide:sc= -0.914 K(o=-0.91,f=0.091) USER MOD Single : A 94 SER OG : rot -16:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 -12.731 9.178 -8.532 1.00 0.00 N ATOM 2 CA GLY A 25 -13.169 8.713 -7.195 1.00 0.00 C ATOM 3 C GLY A 25 -13.614 9.859 -6.313 1.00 0.00 C ATOM 4 O GLY A 25 -12.867 10.817 -6.106 1.00 0.00 O ATOM 0 HA2 GLY A 25 -13.989 8.004 -7.309 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.351 8.180 -6.711 1.00 0.00 H new ATOM 10 N SER A 26 -14.839 9.777 -5.817 1.00 0.00 N ATOM 11 CA SER A 26 -15.366 10.788 -4.917 1.00 0.00 C ATOM 12 C SER A 26 -16.129 10.128 -3.773 1.00 0.00 C ATOM 13 O SER A 26 -17.007 9.295 -4.003 1.00 0.00 O ATOM 14 CB SER A 26 -16.280 11.752 -5.682 1.00 0.00 C ATOM 15 OG SER A 26 -16.678 12.842 -4.867 1.00 0.00 O ATOM 0 H SER A 26 -15.488 9.018 -6.024 1.00 0.00 H new ATOM 0 HA SER A 26 -14.534 11.355 -4.499 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.760 12.126 -6.564 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.162 11.217 -6.034 1.00 0.00 H new ATOM 0 HG SER A 26 -17.258 13.441 -5.382 1.00 0.00 H new ATOM 21 N HIS A 27 -15.772 10.500 -2.544 1.00 0.00 N ATOM 22 CA HIS A 27 -16.396 9.948 -1.340 1.00 0.00 C ATOM 23 C HIS A 27 -16.275 8.431 -1.292 1.00 0.00 C ATOM 24 O HIS A 27 -17.271 7.710 -1.383 1.00 0.00 O ATOM 25 CB HIS A 27 -17.868 10.361 -1.236 1.00 0.00 C ATOM 26 CG HIS A 27 -18.067 11.717 -0.640 1.00 0.00 C ATOM 27 ND1 HIS A 27 -18.390 11.912 0.686 1.00 0.00 N ATOM 28 CD2 HIS A 27 -17.990 12.949 -1.191 1.00 0.00 C ATOM 29 CE1 HIS A 27 -18.504 13.204 0.922 1.00 0.00 C ATOM 30 NE2 HIS A 27 -18.266 13.856 -0.201 1.00 0.00 N ATOM 0 H HIS A 27 -15.045 11.190 -2.354 1.00 0.00 H new ATOM 0 HA HIS A 27 -15.859 10.361 -0.486 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -18.314 10.341 -2.231 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.401 9.626 -0.633 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -17.755 13.176 -2.220 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -18.750 13.653 1.873 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -18.284 14.870 -0.314 1.00 0.00 H new ATOM 39 N MET A 28 -15.050 7.955 -1.145 1.00 0.00 N ATOM 40 CA MET A 28 -14.785 6.531 -1.045 1.00 0.00 C ATOM 41 C MET A 28 -13.872 6.248 0.140 1.00 0.00 C ATOM 42 O MET A 28 -12.657 6.143 -0.014 1.00 0.00 O ATOM 43 CB MET A 28 -14.146 5.997 -2.331 1.00 0.00 C ATOM 44 CG MET A 28 -15.103 5.919 -3.509 1.00 0.00 C ATOM 45 SD MET A 28 -14.338 5.197 -4.976 1.00 0.00 S ATOM 46 CE MET A 28 -15.738 5.142 -6.092 1.00 0.00 C ATOM 0 H MET A 28 -14.217 8.541 -1.092 1.00 0.00 H new ATOM 0 HA MET A 28 -15.737 6.022 -0.897 1.00 0.00 H new ATOM 0 HB2 MET A 28 -13.306 6.637 -2.600 1.00 0.00 H new ATOM 0 HB3 MET A 28 -13.741 5.004 -2.138 1.00 0.00 H new ATOM 0 HG2 MET A 28 -15.973 5.325 -3.227 1.00 0.00 H new ATOM 0 HG3 MET A 28 -15.464 6.920 -3.747 1.00 0.00 H new ATOM 0 HE1 MET A 28 -15.426 4.718 -7.047 1.00 0.00 H new ATOM 0 HE2 MET A 28 -16.524 4.522 -5.660 1.00 0.00 H new ATOM 0 HE3 MET A 28 -16.117 6.152 -6.250 1.00 0.00 H new ATOM 56 N PRO A 29 -14.444 6.131 1.345 1.00 0.00 N ATOM 57 CA PRO A 29 -13.684 5.806 2.556 1.00 0.00 C ATOM 58 C PRO A 29 -13.104 4.398 2.487 1.00 0.00 C ATOM 59 O PRO A 29 -12.090 4.092 3.120 1.00 0.00 O ATOM 60 CB PRO A 29 -14.721 5.902 3.686 1.00 0.00 C ATOM 61 CG PRO A 29 -15.876 6.637 3.098 1.00 0.00 C ATOM 62 CD PRO A 29 -15.874 6.315 1.634 1.00 0.00 C ATOM 0 HA PRO A 29 -12.835 6.474 2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -15.019 4.912 4.031 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -14.315 6.432 4.548 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -16.812 6.328 3.563 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.778 7.710 3.261 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -16.450 5.416 1.417 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -16.306 7.121 1.042 1.00 0.00 H new ATOM 70 N GLN A 30 -13.749 3.553 1.684 1.00 0.00 N ATOM 71 CA GLN A 30 -13.369 2.148 1.573 1.00 0.00 C ATOM 72 C GLN A 30 -11.935 2.002 1.070 1.00 0.00 C ATOM 73 O GLN A 30 -11.230 1.067 1.445 1.00 0.00 O ATOM 74 CB GLN A 30 -14.344 1.388 0.653 1.00 0.00 C ATOM 75 CG GLN A 30 -14.264 1.768 -0.824 1.00 0.00 C ATOM 76 CD GLN A 30 -13.531 0.740 -1.668 1.00 0.00 C ATOM 77 OE1 GLN A 30 -12.648 0.030 -1.186 1.00 0.00 O ATOM 78 NE2 GLN A 30 -13.894 0.657 -2.936 1.00 0.00 N ATOM 0 H GLN A 30 -14.541 3.820 1.099 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.423 1.710 2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -14.152 0.319 0.749 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -15.361 1.562 1.003 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.274 1.896 -1.215 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -13.761 2.731 -0.918 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -14.630 1.264 -3.296 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.438 -0.014 -3.554 1.00 0.00 H new ATOM 87 N ILE A 31 -11.499 2.947 0.242 1.00 0.00 N ATOM 88 CA ILE A 31 -10.169 2.887 -0.340 1.00 0.00 C ATOM 89 C ILE A 31 -9.105 3.130 0.731 1.00 0.00 C ATOM 90 O ILE A 31 -8.043 2.516 0.707 1.00 0.00 O ATOM 91 CB ILE A 31 -10.002 3.887 -1.520 1.00 0.00 C ATOM 92 CG1 ILE A 31 -8.787 3.509 -2.368 1.00 0.00 C ATOM 93 CG2 ILE A 31 -9.875 5.323 -1.032 1.00 0.00 C ATOM 94 CD1 ILE A 31 -8.922 2.165 -3.049 1.00 0.00 C ATOM 0 H ILE A 31 -12.048 3.760 -0.038 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.036 1.885 -0.747 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.902 3.825 -2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.629 4.277 -3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.900 3.499 -1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.760 5.989 -1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -10.771 5.599 -0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.003 5.411 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.025 1.961 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.049 1.387 -2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.789 2.177 -3.709 1.00 0.00 H new ATOM 106 N GLU A 32 -9.412 4.004 1.689 1.00 0.00 N ATOM 107 CA GLU A 32 -8.483 4.322 2.767 1.00 0.00 C ATOM 108 C GLU A 32 -8.318 3.123 3.691 1.00 0.00 C ATOM 109 O GLU A 32 -7.200 2.784 4.110 1.00 0.00 O ATOM 110 CB GLU A 32 -8.980 5.533 3.555 1.00 0.00 C ATOM 111 CG GLU A 32 -9.204 6.763 2.692 1.00 0.00 C ATOM 112 CD GLU A 32 -9.637 7.962 3.503 1.00 0.00 C ATOM 113 OE1 GLU A 32 -10.851 8.124 3.726 1.00 0.00 O ATOM 114 OE2 GLU A 32 -8.765 8.757 3.913 1.00 0.00 O ATOM 0 H GLU A 32 -10.300 4.504 1.738 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.513 4.564 2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.913 5.274 4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.257 5.772 4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.284 7.002 2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.962 6.543 1.940 1.00 0.00 H new ATOM 121 N ARG A 33 -9.438 2.475 3.996 1.00 0.00 N ATOM 122 CA ARG A 33 -9.423 1.268 4.812 1.00 0.00 C ATOM 123 C ARG A 33 -8.658 0.180 4.076 1.00 0.00 C ATOM 124 O ARG A 33 -7.897 -0.582 4.670 1.00 0.00 O ATOM 125 CB ARG A 33 -10.848 0.775 5.106 1.00 0.00 C ATOM 126 CG ARG A 33 -11.827 1.868 5.509 1.00 0.00 C ATOM 127 CD ARG A 33 -11.282 2.741 6.627 1.00 0.00 C ATOM 128 NE ARG A 33 -10.921 1.971 7.815 1.00 0.00 N ATOM 129 CZ ARG A 33 -10.678 2.519 9.001 1.00 0.00 C ATOM 130 NH1 ARG A 33 -10.881 3.816 9.192 1.00 0.00 N ATOM 131 NH2 ARG A 33 -10.263 1.768 10.009 1.00 0.00 N ATOM 0 H ARG A 33 -10.366 2.766 3.690 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.939 1.500 5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.233 0.269 4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.804 0.033 5.903 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.053 2.489 4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.765 1.414 5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.405 3.280 6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.028 3.489 6.896 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.852 0.957 7.729 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.225 4.396 8.427 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.693 4.233 10.104 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.129 0.766 9.877 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.077 2.192 10.918 1.00 0.00 H new ATOM 145 N ARG A 34 -8.862 0.146 2.765 1.00 0.00 N ATOM 146 CA ARG A 34 -8.223 -0.832 1.901 1.00 0.00 C ATOM 147 C ARG A 34 -6.708 -0.708 1.960 1.00 0.00 C ATOM 148 O ARG A 34 -6.005 -1.703 1.853 1.00 0.00 O ATOM 149 CB ARG A 34 -8.698 -0.677 0.458 1.00 0.00 C ATOM 150 CG ARG A 34 -8.762 -1.996 -0.290 1.00 0.00 C ATOM 151 CD ARG A 34 -9.853 -2.888 0.278 1.00 0.00 C ATOM 152 NE ARG A 34 -11.167 -2.254 0.175 1.00 0.00 N ATOM 153 CZ ARG A 34 -12.307 -2.809 0.579 1.00 0.00 C ATOM 154 NH1 ARG A 34 -12.315 -4.001 1.166 1.00 0.00 N ATOM 155 NH2 ARG A 34 -13.445 -2.156 0.398 1.00 0.00 N ATOM 0 H ARG A 34 -9.475 0.796 2.273 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.506 -1.821 2.261 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -9.685 -0.215 0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.027 0.001 -0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.952 -1.810 -1.347 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.800 -2.504 -0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.863 -3.838 -0.256 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.636 -3.111 1.323 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.213 -1.321 -0.235 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.439 -4.503 1.312 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.197 -4.414 1.470 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.441 -1.238 -0.047 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.325 -2.571 0.703 1.00 0.00 H new ATOM 169 N ILE A 35 -6.206 0.516 2.102 1.00 0.00 N ATOM 170 CA ILE A 35 -4.771 0.744 2.199 1.00 0.00 C ATOM 171 C ILE A 35 -4.207 0.014 3.410 1.00 0.00 C ATOM 172 O ILE A 35 -3.199 -0.685 3.314 1.00 0.00 O ATOM 173 CB ILE A 35 -4.446 2.246 2.327 1.00 0.00 C ATOM 174 CG1 ILE A 35 -5.124 3.029 1.207 1.00 0.00 C ATOM 175 CG2 ILE A 35 -2.941 2.468 2.287 1.00 0.00 C ATOM 176 CD1 ILE A 35 -4.948 4.524 1.315 1.00 0.00 C ATOM 0 H ILE A 35 -6.773 1.363 2.152 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.316 0.363 1.285 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.825 2.603 3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.725 2.694 0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.189 2.797 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.728 3.533 2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.472 1.932 3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.544 2.098 1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.458 5.011 0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.373 4.873 2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.886 4.769 1.283 1.00 0.00 H new ATOM 188 N LYS A 36 -4.880 0.161 4.546 1.00 0.00 N ATOM 189 CA LYS A 36 -4.440 -0.494 5.776 1.00 0.00 C ATOM 190 C LYS A 36 -4.576 -1.998 5.639 1.00 0.00 C ATOM 191 O LYS A 36 -3.741 -2.759 6.119 1.00 0.00 O ATOM 192 CB LYS A 36 -5.247 -0.002 6.981 1.00 0.00 C ATOM 193 CG LYS A 36 -5.316 1.510 7.078 1.00 0.00 C ATOM 194 CD LYS A 36 -3.980 2.139 6.731 1.00 0.00 C ATOM 195 CE LYS A 36 -4.085 3.648 6.647 1.00 0.00 C ATOM 196 NZ LYS A 36 -5.138 4.075 5.691 1.00 0.00 N ATOM 0 H LYS A 36 -5.726 0.723 4.643 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.393 -0.240 5.942 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.259 -0.402 6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.802 -0.398 7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.085 1.886 6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.607 1.800 8.087 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.241 1.866 7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.626 1.744 5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.305 4.053 7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.125 4.063 6.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.956 5.053 5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.128 3.449 4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.068 4.023 6.153 1.00 0.00 H new ATOM 210 N LYS A 37 -5.637 -2.403 4.966 1.00 0.00 N ATOM 211 CA LYS A 37 -5.915 -3.802 4.703 1.00 0.00 C ATOM 212 C LYS A 37 -4.836 -4.399 3.809 1.00 0.00 C ATOM 213 O LYS A 37 -4.343 -5.493 4.058 1.00 0.00 O ATOM 214 CB LYS A 37 -7.270 -3.913 4.012 1.00 0.00 C ATOM 215 CG LYS A 37 -7.914 -5.284 4.079 1.00 0.00 C ATOM 216 CD LYS A 37 -8.342 -5.621 5.494 1.00 0.00 C ATOM 217 CE LYS A 37 -9.442 -6.669 5.509 1.00 0.00 C ATOM 218 NZ LYS A 37 -10.672 -6.189 4.818 1.00 0.00 N ATOM 0 H LYS A 37 -6.335 -1.765 4.584 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.928 -4.350 5.645 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.949 -3.187 4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.151 -3.635 2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.780 -5.315 3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.212 -6.036 3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.483 -5.985 6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.692 -4.718 5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.085 -7.578 5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.682 -6.929 6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.375 -6.955 4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.066 -5.376 5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.435 -5.900 3.847 1.00 0.00 H new ATOM 232 N LEU A 38 -4.471 -3.656 2.775 1.00 0.00 N ATOM 233 CA LEU A 38 -3.488 -4.103 1.807 1.00 0.00 C ATOM 234 C LEU A 38 -2.126 -4.204 2.460 1.00 0.00 C ATOM 235 O LEU A 38 -1.413 -5.192 2.286 1.00 0.00 O ATOM 236 CB LEU A 38 -3.421 -3.132 0.632 1.00 0.00 C ATOM 237 CG LEU A 38 -2.756 -3.678 -0.624 1.00 0.00 C ATOM 238 CD1 LEU A 38 -3.534 -4.864 -1.174 1.00 0.00 C ATOM 239 CD2 LEU A 38 -2.627 -2.580 -1.668 1.00 0.00 C ATOM 0 H LEU A 38 -4.849 -2.728 2.586 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.785 -5.085 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.435 -2.821 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.883 -2.239 0.950 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.756 -4.027 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.041 -5.238 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.571 -5.654 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.548 -4.551 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.150 -2.982 -2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.617 -2.203 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.021 -1.767 -1.268 1.00 0.00 H new ATOM 251 N ILE A 39 -1.773 -3.178 3.225 1.00 0.00 N ATOM 252 CA ILE A 39 -0.532 -3.194 3.969 1.00 0.00 C ATOM 253 C ILE A 39 -0.552 -4.329 4.987 1.00 0.00 C ATOM 254 O ILE A 39 0.472 -4.967 5.250 1.00 0.00 O ATOM 255 CB ILE A 39 -0.259 -1.825 4.639 1.00 0.00 C ATOM 256 CG1 ILE A 39 0.601 -0.959 3.710 1.00 0.00 C ATOM 257 CG2 ILE A 39 0.414 -1.975 5.996 1.00 0.00 C ATOM 258 CD1 ILE A 39 -0.051 -0.635 2.380 1.00 0.00 C ATOM 0 H ILE A 39 -2.329 -2.331 3.342 1.00 0.00 H new ATOM 0 HA ILE A 39 0.290 -3.372 3.275 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.220 -1.339 4.810 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.841 -0.026 4.221 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.544 -1.472 3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.586 -0.989 6.428 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.229 -2.555 6.659 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.368 -2.489 5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.624 -0.020 1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.266 -1.560 1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.980 -0.092 2.553 1.00 0.00 H new ATOM 270 N SER A 40 -1.732 -4.596 5.537 1.00 0.00 N ATOM 271 CA SER A 40 -1.888 -5.683 6.490 1.00 0.00 C ATOM 272 C SER A 40 -1.676 -7.024 5.794 1.00 0.00 C ATOM 273 O SER A 40 -0.946 -7.875 6.288 1.00 0.00 O ATOM 274 CB SER A 40 -3.266 -5.639 7.153 1.00 0.00 C ATOM 275 OG SER A 40 -3.362 -6.593 8.201 1.00 0.00 O ATOM 0 H SER A 40 -2.588 -4.077 5.339 1.00 0.00 H new ATOM 0 HA SER A 40 -1.136 -5.565 7.270 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.450 -4.640 7.549 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.037 -5.834 6.408 1.00 0.00 H new ATOM 0 HG SER A 40 -3.373 -6.130 9.065 1.00 0.00 H new ATOM 281 N LEU A 41 -2.284 -7.188 4.621 1.00 0.00 N ATOM 282 CA LEU A 41 -2.220 -8.440 3.887 1.00 0.00 C ATOM 283 C LEU A 41 -0.783 -8.795 3.566 1.00 0.00 C ATOM 284 O LEU A 41 -0.381 -9.931 3.752 1.00 0.00 O ATOM 285 CB LEU A 41 -3.038 -8.363 2.594 1.00 0.00 C ATOM 286 CG LEU A 41 -4.549 -8.220 2.781 1.00 0.00 C ATOM 287 CD1 LEU A 41 -5.243 -8.108 1.432 1.00 0.00 C ATOM 288 CD2 LEU A 41 -5.104 -9.393 3.571 1.00 0.00 C ATOM 0 H LEU A 41 -2.830 -6.460 4.159 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.646 -9.219 4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.680 -7.517 2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.845 -9.262 2.008 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.741 -7.307 3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.318 -8.007 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.867 -7.233 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.042 -9.003 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.180 -9.273 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.901 -10.321 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.629 -9.429 4.552 1.00 0.00 H new ATOM 300 N GLY A 42 -0.004 -7.805 3.143 1.00 0.00 N ATOM 301 CA GLY A 42 1.379 -8.057 2.802 1.00 0.00 C ATOM 302 C GLY A 42 2.171 -8.439 4.024 1.00 0.00 C ATOM 303 O GLY A 42 3.059 -9.283 3.986 1.00 0.00 O ATOM 0 H GLY A 42 -0.306 -6.837 3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.436 -8.855 2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.813 -7.168 2.345 1.00 0.00 H new ATOM 307 N LYS A 43 1.805 -7.837 5.132 1.00 0.00 N ATOM 308 CA LYS A 43 2.459 -8.116 6.387 1.00 0.00 C ATOM 309 C LYS A 43 2.132 -9.541 6.836 1.00 0.00 C ATOM 310 O LYS A 43 2.978 -10.255 7.375 1.00 0.00 O ATOM 311 CB LYS A 43 2.032 -7.103 7.452 1.00 0.00 C ATOM 312 CG LYS A 43 2.689 -7.340 8.794 1.00 0.00 C ATOM 313 CD LYS A 43 4.197 -7.259 8.688 1.00 0.00 C ATOM 314 CE LYS A 43 4.856 -8.155 9.713 1.00 0.00 C ATOM 315 NZ LYS A 43 4.547 -7.743 11.108 1.00 0.00 N ATOM 0 H LYS A 43 1.055 -7.148 5.188 1.00 0.00 H new ATOM 0 HA LYS A 43 3.537 -8.029 6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.276 -6.098 7.107 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.949 -7.145 7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.332 -6.601 9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.401 -8.320 9.175 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.512 -7.552 7.686 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.522 -6.229 8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.526 -9.182 9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.936 -8.141 9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.088 -8.333 11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.807 -6.745 11.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.530 -7.862 11.288 1.00 0.00 H new ATOM 329 N LYS A 44 0.888 -9.929 6.603 1.00 0.00 N ATOM 330 CA LYS A 44 0.415 -11.284 6.867 1.00 0.00 C ATOM 331 C LYS A 44 1.103 -12.272 5.949 1.00 0.00 C ATOM 332 O LYS A 44 1.495 -13.367 6.358 1.00 0.00 O ATOM 333 CB LYS A 44 -1.092 -11.377 6.627 1.00 0.00 C ATOM 334 CG LYS A 44 -1.937 -11.474 7.894 1.00 0.00 C ATOM 335 CD LYS A 44 -2.329 -10.113 8.452 1.00 0.00 C ATOM 336 CE LYS A 44 -1.120 -9.250 8.761 1.00 0.00 C ATOM 337 NZ LYS A 44 -1.472 -8.091 9.618 1.00 0.00 N ATOM 0 H LYS A 44 0.171 -9.311 6.223 1.00 0.00 H new ATOM 0 HA LYS A 44 0.643 -11.521 7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.410 -10.502 6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.294 -12.249 6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.839 -12.046 7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.382 -12.026 8.653 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.967 -9.598 7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.917 -10.250 9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.361 -9.853 9.260 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.681 -8.893 7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.602 -7.614 9.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.057 -7.423 9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.004 -8.422 10.448 1.00 0.00 H new ATOM 351 N LYS A 45 1.239 -11.864 4.703 1.00 0.00 N ATOM 352 CA LYS A 45 1.819 -12.700 3.667 1.00 0.00 C ATOM 353 C LYS A 45 3.295 -12.916 3.927 1.00 0.00 C ATOM 354 O LYS A 45 3.855 -13.961 3.597 1.00 0.00 O ATOM 355 CB LYS A 45 1.637 -12.052 2.302 1.00 0.00 C ATOM 356 CG LYS A 45 0.201 -12.008 1.832 1.00 0.00 C ATOM 357 CD LYS A 45 -0.382 -13.404 1.677 1.00 0.00 C ATOM 358 CE LYS A 45 -1.801 -13.359 1.138 1.00 0.00 C ATOM 359 NZ LYS A 45 -2.392 -14.718 1.015 1.00 0.00 N ATOM 0 H LYS A 45 0.950 -10.941 4.378 1.00 0.00 H new ATOM 0 HA LYS A 45 1.308 -13.663 3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.029 -11.035 2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.232 -12.597 1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.398 -11.440 2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.146 -11.482 0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.245 -13.989 1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.374 -13.912 2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.421 -12.752 1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.803 -12.873 0.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.361 -14.643 0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.815 -15.290 0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.414 -15.173 1.950 1.00 0.00 H new ATOM 373 N GLY A 46 3.918 -11.910 4.504 1.00 0.00 N ATOM 374 CA GLY A 46 5.297 -12.032 4.912 1.00 0.00 C ATOM 375 C GLY A 46 5.857 -10.738 5.457 1.00 0.00 C ATOM 376 O GLY A 46 6.190 -10.648 6.641 1.00 0.00 O ATOM 0 H GLY A 46 3.492 -11.004 4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.380 -12.809 5.672 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.897 -12.354 4.061 1.00 0.00 H new ATOM 380 N TYR A 47 5.960 -9.739 4.596 1.00 0.00 N ATOM 381 CA TYR A 47 6.576 -8.473 4.956 1.00 0.00 C ATOM 382 C TYR A 47 5.865 -7.311 4.274 1.00 0.00 C ATOM 383 O TYR A 47 5.251 -7.478 3.223 1.00 0.00 O ATOM 384 CB TYR A 47 8.069 -8.485 4.599 1.00 0.00 C ATOM 385 CG TYR A 47 8.403 -9.252 3.334 1.00 0.00 C ATOM 386 CD1 TYR A 47 8.306 -8.657 2.083 1.00 0.00 C ATOM 387 CD2 TYR A 47 8.827 -10.575 3.397 1.00 0.00 C ATOM 388 CE1 TYR A 47 8.612 -9.360 0.933 1.00 0.00 C ATOM 389 CE2 TYR A 47 9.134 -11.281 2.254 1.00 0.00 C ATOM 390 CZ TYR A 47 9.028 -10.669 1.025 1.00 0.00 C ATOM 391 OH TYR A 47 9.333 -11.373 -0.117 1.00 0.00 O ATOM 0 H TYR A 47 5.622 -9.782 3.635 1.00 0.00 H new ATOM 0 HA TYR A 47 6.481 -8.338 6.033 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.412 -7.456 4.487 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.626 -8.918 5.430 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.986 -7.628 2.007 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.917 -11.058 4.359 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.525 -8.885 -0.033 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.456 -12.310 2.322 1.00 0.00 H new ATOM 0 HH TYR A 47 9.611 -12.282 0.123 1.00 0.00 H new ATOM 401 N ILE A 48 5.959 -6.128 4.867 1.00 0.00 N ATOM 402 CA ILE A 48 5.296 -4.953 4.321 1.00 0.00 C ATOM 403 C ILE A 48 6.024 -4.453 3.082 1.00 0.00 C ATOM 404 O ILE A 48 6.942 -3.645 3.160 1.00 0.00 O ATOM 405 CB ILE A 48 5.155 -3.813 5.363 1.00 0.00 C ATOM 406 CG1 ILE A 48 6.225 -3.899 6.466 1.00 0.00 C ATOM 407 CG2 ILE A 48 3.767 -3.854 5.981 1.00 0.00 C ATOM 408 CD1 ILE A 48 7.652 -3.748 5.982 1.00 0.00 C ATOM 0 H ILE A 48 6.486 -5.958 5.723 1.00 0.00 H new ATOM 0 HA ILE A 48 4.288 -5.260 4.043 1.00 0.00 H new ATOM 0 HB ILE A 48 5.302 -2.867 4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.024 -3.126 7.208 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.128 -4.859 6.972 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.671 -3.052 6.713 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.017 -3.725 5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.616 -4.815 6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.333 -3.822 6.829 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.878 -4.536 5.264 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.773 -2.776 5.503 1.00 0.00 H new ATOM 420 N THR A 49 5.613 -4.942 1.929 1.00 0.00 N ATOM 421 CA THR A 49 6.296 -4.640 0.690 1.00 0.00 C ATOM 422 C THR A 49 5.320 -4.631 -0.482 1.00 0.00 C ATOM 423 O THR A 49 4.359 -5.395 -0.507 1.00 0.00 O ATOM 424 CB THR A 49 7.421 -5.667 0.434 1.00 0.00 C ATOM 425 OG1 THR A 49 8.345 -5.653 1.529 1.00 0.00 O ATOM 426 CG2 THR A 49 8.170 -5.368 -0.854 1.00 0.00 C ATOM 0 H THR A 49 4.804 -5.554 1.826 1.00 0.00 H new ATOM 0 HA THR A 49 6.735 -3.646 0.779 1.00 0.00 H new ATOM 0 HB THR A 49 6.959 -6.650 0.341 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.142 -6.170 1.291 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.954 -6.111 -1.000 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.477 -5.402 -1.694 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.618 -4.376 -0.793 1.00 0.00 H new ATOM 434 N TYR A 50 5.576 -3.747 -1.442 1.00 0.00 N ATOM 435 CA TYR A 50 4.757 -3.640 -2.646 1.00 0.00 C ATOM 436 C TYR A 50 4.726 -4.968 -3.401 1.00 0.00 C ATOM 437 O TYR A 50 3.688 -5.377 -3.921 1.00 0.00 O ATOM 438 CB TYR A 50 5.313 -2.531 -3.542 1.00 0.00 C ATOM 439 CG TYR A 50 4.401 -2.139 -4.681 1.00 0.00 C ATOM 440 CD1 TYR A 50 3.337 -1.273 -4.469 1.00 0.00 C ATOM 441 CD2 TYR A 50 4.604 -2.631 -5.965 1.00 0.00 C ATOM 442 CE1 TYR A 50 2.501 -0.906 -5.504 1.00 0.00 C ATOM 443 CE2 TYR A 50 3.772 -2.267 -7.006 1.00 0.00 C ATOM 444 CZ TYR A 50 2.721 -1.405 -6.771 1.00 0.00 C ATOM 445 OH TYR A 50 1.891 -1.040 -7.804 1.00 0.00 O ATOM 0 H TYR A 50 6.353 -3.087 -1.408 1.00 0.00 H new ATOM 0 HA TYR A 50 3.735 -3.394 -2.358 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.511 -1.651 -2.931 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.269 -2.856 -3.952 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.161 -0.880 -3.479 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.424 -3.308 -6.152 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.678 -0.231 -5.323 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.944 -2.655 -7.999 1.00 0.00 H new ATOM 0 HH TYR A 50 2.184 -1.478 -8.630 1.00 0.00 H new ATOM 455 N GLU A 51 5.873 -5.634 -3.440 1.00 0.00 N ATOM 456 CA GLU A 51 6.001 -6.939 -4.082 1.00 0.00 C ATOM 457 C GLU A 51 5.148 -7.977 -3.359 1.00 0.00 C ATOM 458 O GLU A 51 4.518 -8.831 -3.981 1.00 0.00 O ATOM 459 CB GLU A 51 7.467 -7.374 -4.064 1.00 0.00 C ATOM 460 CG GLU A 51 8.409 -6.365 -4.699 1.00 0.00 C ATOM 461 CD GLU A 51 8.283 -6.326 -6.207 1.00 0.00 C ATOM 462 OE1 GLU A 51 8.842 -7.221 -6.877 1.00 0.00 O ATOM 463 OE2 GLU A 51 7.618 -5.413 -6.730 1.00 0.00 O ATOM 0 H GLU A 51 6.740 -5.287 -3.029 1.00 0.00 H new ATOM 0 HA GLU A 51 5.654 -6.860 -5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.774 -7.545 -3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.561 -8.326 -4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.202 -5.374 -4.294 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.436 -6.611 -4.429 1.00 0.00 H new ATOM 470 N ASP A 52 5.130 -7.878 -2.038 1.00 0.00 N ATOM 471 CA ASP A 52 4.406 -8.818 -1.194 1.00 0.00 C ATOM 472 C ASP A 52 2.894 -8.591 -1.317 1.00 0.00 C ATOM 473 O ASP A 52 2.109 -9.531 -1.329 1.00 0.00 O ATOM 474 CB ASP A 52 4.888 -8.671 0.253 1.00 0.00 C ATOM 475 CG ASP A 52 4.340 -9.720 1.190 1.00 0.00 C ATOM 476 OD1 ASP A 52 3.117 -9.827 1.305 1.00 0.00 O ATOM 477 OD2 ASP A 52 5.151 -10.462 1.799 1.00 0.00 O ATOM 0 H ASP A 52 5.616 -7.145 -1.521 1.00 0.00 H new ATOM 0 HA ASP A 52 4.606 -9.839 -1.520 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.977 -8.717 0.269 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.605 -7.685 0.622 1.00 0.00 H new ATOM 482 N ILE A 53 2.495 -7.338 -1.438 1.00 0.00 N ATOM 483 CA ILE A 53 1.106 -6.998 -1.727 1.00 0.00 C ATOM 484 C ILE A 53 0.669 -7.606 -3.051 1.00 0.00 C ATOM 485 O ILE A 53 -0.418 -8.175 -3.159 1.00 0.00 O ATOM 486 CB ILE A 53 0.945 -5.484 -1.803 1.00 0.00 C ATOM 487 CG1 ILE A 53 0.918 -4.883 -0.392 1.00 0.00 C ATOM 488 CG2 ILE A 53 -0.298 -5.089 -2.594 1.00 0.00 C ATOM 489 CD1 ILE A 53 0.836 -3.376 -0.359 1.00 0.00 C ATOM 0 H ILE A 53 3.113 -6.533 -1.341 1.00 0.00 H new ATOM 0 HA ILE A 53 0.485 -7.398 -0.925 1.00 0.00 H new ATOM 0 HB ILE A 53 1.805 -5.079 -2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.065 -5.293 0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.815 -5.198 0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.379 -4.002 -2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.222 -5.477 -3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.183 -5.504 -2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.822 -3.035 0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.702 -2.953 -0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.075 -3.050 -0.861 1.00 0.00 H new ATOM 501 N ASP A 54 1.523 -7.465 -4.060 1.00 0.00 N ATOM 502 CA ASP A 54 1.282 -8.078 -5.359 1.00 0.00 C ATOM 503 C ASP A 54 1.177 -9.586 -5.201 1.00 0.00 C ATOM 504 O ASP A 54 0.452 -10.260 -5.932 1.00 0.00 O ATOM 505 CB ASP A 54 2.394 -7.724 -6.348 1.00 0.00 C ATOM 506 CG ASP A 54 2.098 -8.219 -7.752 1.00 0.00 C ATOM 507 OD1 ASP A 54 1.396 -7.500 -8.502 1.00 0.00 O ATOM 508 OD2 ASP A 54 2.560 -9.323 -8.111 1.00 0.00 O ATOM 0 H ASP A 54 2.390 -6.930 -4.001 1.00 0.00 H new ATOM 0 HA ASP A 54 0.344 -7.691 -5.757 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.528 -6.643 -6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.334 -8.156 -6.004 1.00 0.00 H new ATOM 513 N LYS A 55 1.907 -10.108 -4.226 1.00 0.00 N ATOM 514 CA LYS A 55 1.901 -11.535 -3.947 1.00 0.00 C ATOM 515 C LYS A 55 0.601 -11.925 -3.247 1.00 0.00 C ATOM 516 O LYS A 55 0.140 -13.062 -3.352 1.00 0.00 O ATOM 517 CB LYS A 55 3.114 -11.899 -3.083 1.00 0.00 C ATOM 518 CG LYS A 55 2.768 -12.395 -1.687 1.00 0.00 C ATOM 519 CD LYS A 55 3.899 -12.135 -0.715 1.00 0.00 C ATOM 520 CE LYS A 55 4.100 -13.295 0.245 1.00 0.00 C ATOM 521 NZ LYS A 55 5.195 -13.027 1.213 1.00 0.00 N ATOM 0 H LYS A 55 2.513 -9.562 -3.613 1.00 0.00 H new ATOM 0 HA LYS A 55 1.964 -12.087 -4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.691 -12.668 -3.595 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.757 -11.023 -2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.863 -11.899 -1.336 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.553 -13.463 -1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.821 -11.959 -1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.689 -11.227 -0.149 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.173 -13.483 0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.327 -14.199 -0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.990 -13.510 2.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.094 -13.380 0.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.268 -12.003 1.379 1.00 0.00 H new ATOM 535 N ALA A 56 0.015 -10.963 -2.543 1.00 0.00 N ATOM 536 CA ALA A 56 -1.191 -11.198 -1.758 1.00 0.00 C ATOM 537 C ALA A 56 -2.407 -11.519 -2.629 1.00 0.00 C ATOM 538 O ALA A 56 -3.387 -12.074 -2.133 1.00 0.00 O ATOM 539 CB ALA A 56 -1.481 -9.996 -0.877 1.00 0.00 C ATOM 0 H ALA A 56 0.360 -10.004 -2.500 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.004 -12.074 -1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.384 -10.181 -0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.642 -9.829 -0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.626 -9.114 -1.501 1.00 0.00 H new ATOM 545 N PHE A 57 -2.342 -11.159 -3.912 1.00 0.00 N ATOM 546 CA PHE A 57 -3.429 -11.436 -4.859 1.00 0.00 C ATOM 547 C PHE A 57 -3.845 -12.909 -4.811 1.00 0.00 C ATOM 548 O PHE A 57 -2.987 -13.795 -4.797 1.00 0.00 O ATOM 549 CB PHE A 57 -3.005 -11.069 -6.285 1.00 0.00 C ATOM 550 CG PHE A 57 -3.095 -9.600 -6.597 1.00 0.00 C ATOM 551 CD1 PHE A 57 -2.257 -8.686 -5.980 1.00 0.00 C ATOM 552 CD2 PHE A 57 -4.026 -9.134 -7.514 1.00 0.00 C ATOM 553 CE1 PHE A 57 -2.341 -7.338 -6.270 1.00 0.00 C ATOM 554 CE2 PHE A 57 -4.115 -7.787 -7.808 1.00 0.00 C ATOM 555 CZ PHE A 57 -3.271 -6.888 -7.186 1.00 0.00 C ATOM 0 H PHE A 57 -1.545 -10.673 -4.323 1.00 0.00 H new ATOM 0 HA PHE A 57 -4.283 -10.825 -4.568 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.979 -11.400 -6.443 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.629 -11.618 -6.990 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.528 -9.032 -5.262 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.689 -9.832 -8.004 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.680 -6.637 -5.781 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.844 -7.437 -8.524 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.338 -5.835 -7.416 1.00 0.00 H new ATOM 565 N PRO A 58 -5.163 -13.198 -4.786 1.00 0.00 N ATOM 566 CA PRO A 58 -6.229 -12.183 -4.832 1.00 0.00 C ATOM 567 C PRO A 58 -6.289 -11.342 -3.558 1.00 0.00 C ATOM 568 O PRO A 58 -6.146 -11.861 -2.449 1.00 0.00 O ATOM 569 CB PRO A 58 -7.518 -13.005 -4.987 1.00 0.00 C ATOM 570 CG PRO A 58 -7.073 -14.383 -5.338 1.00 0.00 C ATOM 571 CD PRO A 58 -5.723 -14.551 -4.710 1.00 0.00 C ATOM 0 HA PRO A 58 -6.066 -11.470 -5.640 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.098 -13.003 -4.064 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.157 -12.589 -5.766 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.774 -15.128 -4.962 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.020 -14.513 -6.419 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.796 -14.902 -3.681 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.112 -15.273 -5.251 1.00 0.00 H new ATOM 579 N PRO A 59 -6.529 -10.033 -3.702 1.00 0.00 N ATOM 580 CA PRO A 59 -6.460 -9.073 -2.631 1.00 0.00 C ATOM 581 C PRO A 59 -7.844 -8.772 -2.081 1.00 0.00 C ATOM 582 O PRO A 59 -8.815 -9.458 -2.396 1.00 0.00 O ATOM 583 CB PRO A 59 -5.884 -7.845 -3.348 1.00 0.00 C ATOM 584 CG PRO A 59 -6.160 -8.066 -4.813 1.00 0.00 C ATOM 585 CD PRO A 59 -6.943 -9.350 -4.912 1.00 0.00 C ATOM 0 HA PRO A 59 -5.872 -9.407 -1.776 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.355 -6.928 -2.994 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.815 -7.747 -3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.726 -7.233 -5.231 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.230 -8.134 -5.377 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.018 -9.174 -4.937 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.692 -9.916 -5.809 1.00 0.00 H new ATOM 593 N ASP A 60 -7.931 -7.743 -1.265 1.00 0.00 N ATOM 594 CA ASP A 60 -9.177 -7.424 -0.594 1.00 0.00 C ATOM 595 C ASP A 60 -9.937 -6.313 -1.321 1.00 0.00 C ATOM 596 O ASP A 60 -10.903 -5.756 -0.801 1.00 0.00 O ATOM 597 CB ASP A 60 -8.882 -7.033 0.857 1.00 0.00 C ATOM 598 CG ASP A 60 -10.115 -6.992 1.736 1.00 0.00 C ATOM 599 OD1 ASP A 60 -10.616 -8.072 2.110 1.00 0.00 O ATOM 600 OD2 ASP A 60 -10.562 -5.883 2.089 1.00 0.00 O ATOM 0 H ASP A 60 -7.158 -7.114 -1.050 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.819 -8.305 -0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.169 -7.742 1.278 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.403 -6.054 0.871 1.00 0.00 H new ATOM 605 N PHE A 61 -9.502 -6.000 -2.530 1.00 0.00 N ATOM 606 CA PHE A 61 -10.051 -4.887 -3.284 1.00 0.00 C ATOM 607 C PHE A 61 -11.458 -5.177 -3.765 1.00 0.00 C ATOM 608 O PHE A 61 -11.698 -6.153 -4.477 1.00 0.00 O ATOM 609 CB PHE A 61 -9.184 -4.571 -4.503 1.00 0.00 C ATOM 610 CG PHE A 61 -7.835 -4.014 -4.176 1.00 0.00 C ATOM 611 CD1 PHE A 61 -7.712 -2.863 -3.420 1.00 0.00 C ATOM 612 CD2 PHE A 61 -6.688 -4.639 -4.635 1.00 0.00 C ATOM 613 CE1 PHE A 61 -6.469 -2.345 -3.127 1.00 0.00 C ATOM 614 CE2 PHE A 61 -5.441 -4.124 -4.346 1.00 0.00 C ATOM 615 CZ PHE A 61 -5.331 -2.976 -3.591 1.00 0.00 C ATOM 0 H PHE A 61 -8.762 -6.508 -3.014 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.070 -4.033 -2.607 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.055 -5.482 -5.088 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.714 -3.859 -5.135 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.598 -2.365 -3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.770 -5.539 -5.226 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.385 -1.446 -2.535 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.553 -4.619 -4.711 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.356 -2.570 -3.363 1.00 0.00 H new ATOM 625 N GLU A 62 -12.388 -4.335 -3.357 1.00 0.00 N ATOM 626 CA GLU A 62 -13.695 -4.309 -3.977 1.00 0.00 C ATOM 627 C GLU A 62 -13.592 -3.539 -5.284 1.00 0.00 C ATOM 628 O GLU A 62 -14.324 -3.792 -6.241 1.00 0.00 O ATOM 629 CB GLU A 62 -14.716 -3.660 -3.055 1.00 0.00 C ATOM 630 CG GLU A 62 -14.996 -4.467 -1.805 1.00 0.00 C ATOM 631 CD GLU A 62 -16.056 -3.819 -0.931 1.00 0.00 C ATOM 632 OE1 GLU A 62 -17.202 -3.666 -1.406 1.00 0.00 O ATOM 633 OE2 GLU A 62 -15.749 -3.437 0.218 1.00 0.00 O ATOM 0 H GLU A 62 -12.262 -3.662 -2.601 1.00 0.00 H new ATOM 0 HA GLU A 62 -14.029 -5.328 -4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.358 -2.671 -2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.648 -3.515 -3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.321 -5.469 -2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.075 -4.580 -1.233 1.00 0.00 H new ATOM 640 N GLY A 63 -12.671 -2.584 -5.294 1.00 0.00 N ATOM 641 CA GLY A 63 -12.345 -1.852 -6.485 1.00 0.00 C ATOM 642 C GLY A 63 -11.057 -1.100 -6.273 1.00 0.00 C ATOM 643 O GLY A 63 -10.928 -0.366 -5.293 1.00 0.00 O ATOM 0 H GLY A 63 -12.136 -2.304 -4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.246 -2.535 -7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.149 -1.157 -6.730 1.00 0.00 H new ATOM 647 N PHE A 64 -10.091 -1.291 -7.149 1.00 0.00 N ATOM 648 CA PHE A 64 -8.823 -0.605 -7.000 1.00 0.00 C ATOM 649 C PHE A 64 -8.679 0.490 -8.051 1.00 0.00 C ATOM 650 O PHE A 64 -9.118 0.331 -9.193 1.00 0.00 O ATOM 651 CB PHE A 64 -7.634 -1.580 -7.043 1.00 0.00 C ATOM 652 CG PHE A 64 -7.552 -2.440 -8.273 1.00 0.00 C ATOM 653 CD1 PHE A 64 -6.859 -2.010 -9.395 1.00 0.00 C ATOM 654 CD2 PHE A 64 -8.148 -3.691 -8.299 1.00 0.00 C ATOM 655 CE1 PHE A 64 -6.770 -2.807 -10.519 1.00 0.00 C ATOM 656 CE2 PHE A 64 -8.060 -4.493 -9.419 1.00 0.00 C ATOM 657 CZ PHE A 64 -7.370 -4.051 -10.531 1.00 0.00 C ATOM 0 H PHE A 64 -10.157 -1.906 -7.960 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.814 -0.138 -6.015 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.711 -1.006 -6.959 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -7.686 -2.229 -6.169 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.383 -1.040 -9.389 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.688 -4.043 -7.432 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.232 -2.458 -11.388 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.530 -5.465 -9.426 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.300 -4.677 -11.408 1.00 0.00 H new ATOM 667 N ASP A 65 -8.065 1.597 -7.659 1.00 0.00 N ATOM 668 CA ASP A 65 -7.977 2.775 -8.513 1.00 0.00 C ATOM 669 C ASP A 65 -6.609 3.435 -8.361 1.00 0.00 C ATOM 670 O ASP A 65 -5.921 3.211 -7.370 1.00 0.00 O ATOM 671 CB ASP A 65 -9.093 3.764 -8.137 1.00 0.00 C ATOM 672 CG ASP A 65 -9.200 4.940 -9.090 1.00 0.00 C ATOM 673 OD1 ASP A 65 -8.459 5.929 -8.912 1.00 0.00 O ATOM 674 OD2 ASP A 65 -10.032 4.883 -10.021 1.00 0.00 O ATOM 0 H ASP A 65 -7.617 1.705 -6.749 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.100 2.476 -9.554 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.046 3.235 -8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.913 4.138 -7.129 1.00 0.00 H new ATOM 679 N THR A 66 -6.225 4.242 -9.344 1.00 0.00 N ATOM 680 CA THR A 66 -4.955 4.961 -9.322 1.00 0.00 C ATOM 681 C THR A 66 -4.879 5.923 -8.131 1.00 0.00 C ATOM 682 O THR A 66 -3.793 6.223 -7.623 1.00 0.00 O ATOM 683 CB THR A 66 -4.772 5.743 -10.634 1.00 0.00 C ATOM 684 OG1 THR A 66 -5.114 4.896 -11.739 1.00 0.00 O ATOM 685 CG2 THR A 66 -3.338 6.229 -10.788 1.00 0.00 C ATOM 0 H THR A 66 -6.785 4.417 -10.179 1.00 0.00 H new ATOM 0 HA THR A 66 -4.155 4.228 -9.218 1.00 0.00 H new ATOM 0 HB THR A 66 -5.426 6.615 -10.613 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.001 5.390 -12.578 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.239 6.778 -11.724 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.084 6.884 -9.954 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.663 5.373 -10.796 1.00 0.00 H new ATOM 693 N ASN A 67 -6.043 6.378 -7.674 1.00 0.00 N ATOM 694 CA ASN A 67 -6.124 7.269 -6.520 1.00 0.00 C ATOM 695 C ASN A 67 -5.543 6.577 -5.296 1.00 0.00 C ATOM 696 O ASN A 67 -4.938 7.213 -4.442 1.00 0.00 O ATOM 697 CB ASN A 67 -7.577 7.671 -6.246 1.00 0.00 C ATOM 698 CG ASN A 67 -7.726 8.588 -5.041 1.00 0.00 C ATOM 699 OD1 ASN A 67 -8.704 8.493 -4.299 1.00 0.00 O ATOM 700 ND2 ASN A 67 -6.777 9.496 -4.849 1.00 0.00 N ATOM 0 H ASN A 67 -6.946 6.143 -8.087 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.550 8.170 -6.737 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.982 8.170 -7.127 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.172 6.772 -6.087 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.844 10.145 -4.065 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.981 9.544 -5.485 1.00 0.00 H new ATOM 707 N LEU A 68 -5.724 5.264 -5.235 1.00 0.00 N ATOM 708 CA LEU A 68 -5.183 4.453 -4.155 1.00 0.00 C ATOM 709 C LEU A 68 -3.677 4.639 -4.031 1.00 0.00 C ATOM 710 O LEU A 68 -3.157 4.746 -2.930 1.00 0.00 O ATOM 711 CB LEU A 68 -5.501 2.976 -4.402 1.00 0.00 C ATOM 712 CG LEU A 68 -4.792 1.986 -3.479 1.00 0.00 C ATOM 713 CD1 LEU A 68 -5.303 2.112 -2.054 1.00 0.00 C ATOM 714 CD2 LEU A 68 -4.972 0.570 -3.993 1.00 0.00 C ATOM 0 H LEU A 68 -6.248 4.734 -5.931 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.647 4.776 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.577 2.833 -4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.242 2.734 -5.433 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.728 2.221 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.783 1.397 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.120 3.123 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.373 1.907 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.462 -0.126 -3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.034 0.328 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.549 0.490 -4.994 1.00 0.00 H new ATOM 726 N ILE A 69 -2.987 4.699 -5.162 1.00 0.00 N ATOM 727 CA ILE A 69 -1.538 4.837 -5.157 1.00 0.00 C ATOM 728 C ILE A 69 -1.145 6.171 -4.535 1.00 0.00 C ATOM 729 O ILE A 69 -0.203 6.255 -3.739 1.00 0.00 O ATOM 730 CB ILE A 69 -0.966 4.727 -6.586 1.00 0.00 C ATOM 731 CG1 ILE A 69 -1.380 3.396 -7.226 1.00 0.00 C ATOM 732 CG2 ILE A 69 0.552 4.871 -6.578 1.00 0.00 C ATOM 733 CD1 ILE A 69 -0.979 2.178 -6.420 1.00 0.00 C ATOM 0 H ILE A 69 -3.406 4.654 -6.091 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.119 4.026 -4.561 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.378 5.541 -7.182 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.461 3.390 -7.362 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.934 3.326 -8.218 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.931 4.790 -7.597 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.823 5.843 -6.167 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.989 4.083 -5.965 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.306 1.276 -6.937 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.105 2.158 -6.306 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.447 2.222 -5.436 1.00 0.00 H new ATOM 745 N GLU A 70 -1.909 7.203 -4.870 1.00 0.00 N ATOM 746 CA GLU A 70 -1.696 8.524 -4.307 1.00 0.00 C ATOM 747 C GLU A 70 -2.039 8.481 -2.830 1.00 0.00 C ATOM 748 O GLU A 70 -1.308 8.997 -1.982 1.00 0.00 O ATOM 749 CB GLU A 70 -2.596 9.557 -4.994 1.00 0.00 C ATOM 750 CG GLU A 70 -2.764 9.341 -6.489 1.00 0.00 C ATOM 751 CD GLU A 70 -3.708 10.344 -7.121 1.00 0.00 C ATOM 752 OE1 GLU A 70 -4.930 10.265 -6.865 1.00 0.00 O ATOM 753 OE2 GLU A 70 -3.236 11.210 -7.888 1.00 0.00 O ATOM 0 H GLU A 70 -2.683 7.147 -5.531 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.655 8.811 -4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.579 9.537 -4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.182 10.551 -4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.790 9.409 -6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.139 8.333 -6.667 1.00 0.00 H new ATOM 760 N ARG A 71 -3.143 7.805 -2.541 1.00 0.00 N ATOM 761 CA ARG A 71 -3.695 7.761 -1.207 1.00 0.00 C ATOM 762 C ARG A 71 -2.784 6.988 -0.260 1.00 0.00 C ATOM 763 O ARG A 71 -2.672 7.333 0.912 1.00 0.00 O ATOM 764 CB ARG A 71 -5.091 7.132 -1.244 1.00 0.00 C ATOM 765 CG ARG A 71 -5.958 7.505 -0.054 1.00 0.00 C ATOM 766 CD ARG A 71 -6.183 9.004 0.014 1.00 0.00 C ATOM 767 NE ARG A 71 -7.084 9.380 1.100 1.00 0.00 N ATOM 768 CZ ARG A 71 -7.801 10.500 1.115 1.00 0.00 C ATOM 769 NH1 ARG A 71 -7.717 11.362 0.107 1.00 0.00 N ATOM 770 NH2 ARG A 71 -8.608 10.751 2.134 1.00 0.00 N ATOM 0 H ARG A 71 -3.676 7.274 -3.230 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.774 8.781 -0.831 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.595 7.440 -2.160 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.991 6.047 -1.284 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.918 6.994 -0.126 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.483 7.164 0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.226 9.507 0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.595 9.351 -0.934 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.168 8.746 1.894 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.101 11.166 -0.682 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.269 12.220 0.122 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.678 10.086 2.904 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.159 11.609 2.149 1.00 0.00 H new ATOM 784 N ILE A 72 -2.125 5.950 -0.775 1.00 0.00 N ATOM 785 CA ILE A 72 -1.204 5.156 0.032 1.00 0.00 C ATOM 786 C ILE A 72 -0.073 6.029 0.553 1.00 0.00 C ATOM 787 O ILE A 72 0.233 6.010 1.745 1.00 0.00 O ATOM 788 CB ILE A 72 -0.607 3.965 -0.758 1.00 0.00 C ATOM 789 CG1 ILE A 72 -1.695 2.940 -1.096 1.00 0.00 C ATOM 790 CG2 ILE A 72 0.516 3.301 0.034 1.00 0.00 C ATOM 791 CD1 ILE A 72 -1.207 1.784 -1.941 1.00 0.00 C ATOM 0 H ILE A 72 -2.212 5.642 -1.743 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.780 4.752 0.865 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.193 4.351 -1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.112 2.548 -0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.505 3.445 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.921 2.467 -0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.306 4.028 0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.124 2.933 0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.034 1.102 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.817 2.163 -2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.418 1.253 -1.409 1.00 0.00 H new ATOM 803 N HIS A 73 0.539 6.807 -0.334 1.00 0.00 N ATOM 804 CA HIS A 73 1.633 7.685 0.070 1.00 0.00 C ATOM 805 C HIS A 73 1.143 8.780 1.007 1.00 0.00 C ATOM 806 O HIS A 73 1.870 9.201 1.910 1.00 0.00 O ATOM 807 CB HIS A 73 2.341 8.285 -1.137 1.00 0.00 C ATOM 808 CG HIS A 73 3.571 9.071 -0.787 1.00 0.00 C ATOM 809 ND1 HIS A 73 3.664 10.441 -0.920 1.00 0.00 N ATOM 810 CD2 HIS A 73 4.769 8.661 -0.306 1.00 0.00 C ATOM 811 CE1 HIS A 73 4.864 10.836 -0.535 1.00 0.00 C ATOM 812 NE2 HIS A 73 5.553 9.777 -0.157 1.00 0.00 N ATOM 0 H HIS A 73 0.301 6.848 -1.325 1.00 0.00 H new ATOM 0 HA HIS A 73 2.356 7.075 0.611 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.616 7.483 -1.821 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.646 8.934 -1.669 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.054 7.644 -0.081 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.221 11.855 -0.530 1.00 0.00 H new ATOM 0 HE2 HIS A 73 6.512 9.786 0.190 1.00 0.00 H new ATOM 821 N GLU A 74 -0.079 9.251 0.789 1.00 0.00 N ATOM 822 CA GLU A 74 -0.688 10.197 1.712 1.00 0.00 C ATOM 823 C GLU A 74 -0.772 9.568 3.089 1.00 0.00 C ATOM 824 O GLU A 74 -0.349 10.147 4.075 1.00 0.00 O ATOM 825 CB GLU A 74 -2.094 10.596 1.265 1.00 0.00 C ATOM 826 CG GLU A 74 -2.143 11.414 -0.010 1.00 0.00 C ATOM 827 CD GLU A 74 -3.551 11.862 -0.333 1.00 0.00 C ATOM 828 OE1 GLU A 74 -4.062 12.769 0.361 1.00 0.00 O ATOM 829 OE2 GLU A 74 -4.159 11.305 -1.265 1.00 0.00 O ATOM 0 H GLU A 74 -0.661 8.996 -0.009 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.067 11.093 1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.686 9.692 1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.567 11.166 2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.498 12.287 0.092 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.750 10.823 -0.837 1.00 0.00 H new ATOM 836 N GLU A 75 -1.290 8.358 3.129 1.00 0.00 N ATOM 837 CA GLU A 75 -1.426 7.612 4.367 1.00 0.00 C ATOM 838 C GLU A 75 -0.066 7.304 4.986 1.00 0.00 C ATOM 839 O GLU A 75 0.047 7.170 6.197 1.00 0.00 O ATOM 840 CB GLU A 75 -2.202 6.319 4.121 1.00 0.00 C ATOM 841 CG GLU A 75 -3.641 6.551 3.693 1.00 0.00 C ATOM 842 CD GLU A 75 -4.449 7.280 4.742 1.00 0.00 C ATOM 843 OE1 GLU A 75 -4.845 6.637 5.732 1.00 0.00 O ATOM 844 OE2 GLU A 75 -4.700 8.487 4.580 1.00 0.00 O ATOM 0 H GLU A 75 -1.629 7.862 2.305 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.980 8.232 5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.691 5.738 3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.194 5.720 5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.653 7.125 2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.112 5.591 3.479 1.00 0.00 H new ATOM 851 N LEU A 76 0.958 7.168 4.161 1.00 0.00 N ATOM 852 CA LEU A 76 2.307 6.929 4.664 1.00 0.00 C ATOM 853 C LEU A 76 2.774 8.073 5.544 1.00 0.00 C ATOM 854 O LEU A 76 3.246 7.859 6.663 1.00 0.00 O ATOM 855 CB LEU A 76 3.291 6.754 3.506 1.00 0.00 C ATOM 856 CG LEU A 76 3.134 5.457 2.730 1.00 0.00 C ATOM 857 CD1 LEU A 76 4.090 5.413 1.546 1.00 0.00 C ATOM 858 CD2 LEU A 76 3.379 4.288 3.656 1.00 0.00 C ATOM 0 H LEU A 76 0.886 7.218 3.145 1.00 0.00 H new ATOM 0 HA LEU A 76 2.277 6.015 5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.173 7.590 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.306 6.806 3.899 1.00 0.00 H new ATOM 0 HG LEU A 76 2.119 5.399 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.958 4.475 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.880 6.248 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.117 5.484 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.267 3.356 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.389 4.350 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.658 4.314 4.473 1.00 0.00 H new ATOM 870 N GLU A 77 2.637 9.284 5.040 1.00 0.00 N ATOM 871 CA GLU A 77 3.053 10.452 5.789 1.00 0.00 C ATOM 872 C GLU A 77 1.976 10.927 6.762 1.00 0.00 C ATOM 873 O GLU A 77 2.240 11.129 7.947 1.00 0.00 O ATOM 874 CB GLU A 77 3.440 11.563 4.816 1.00 0.00 C ATOM 875 CG GLU A 77 3.522 12.931 5.453 1.00 0.00 C ATOM 876 CD GLU A 77 4.008 13.984 4.488 1.00 0.00 C ATOM 877 OE1 GLU A 77 3.211 14.427 3.635 1.00 0.00 O ATOM 878 OE2 GLU A 77 5.194 14.358 4.561 1.00 0.00 O ATOM 0 H GLU A 77 2.243 9.484 4.120 1.00 0.00 H new ATOM 0 HA GLU A 77 3.918 10.180 6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.405 11.322 4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.712 11.593 4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.539 13.213 5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.193 12.890 6.311 1.00 0.00 H new ATOM 885 N LYS A 78 0.761 11.075 6.267 1.00 0.00 N ATOM 886 CA LYS A 78 -0.333 11.592 7.073 1.00 0.00 C ATOM 887 C LYS A 78 -0.798 10.585 8.114 1.00 0.00 C ATOM 888 O LYS A 78 -1.022 10.943 9.268 1.00 0.00 O ATOM 889 CB LYS A 78 -1.526 11.980 6.196 1.00 0.00 C ATOM 890 CG LYS A 78 -1.380 13.305 5.464 1.00 0.00 C ATOM 891 CD LYS A 78 -0.330 13.262 4.365 1.00 0.00 C ATOM 892 CE LYS A 78 -0.295 14.581 3.618 1.00 0.00 C ATOM 893 NZ LYS A 78 0.809 14.646 2.628 1.00 0.00 N ATOM 0 H LYS A 78 0.505 10.844 5.307 1.00 0.00 H new ATOM 0 HA LYS A 78 0.051 12.474 7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.689 11.192 5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.418 12.023 6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.341 13.583 5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.117 14.083 6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.649 13.055 4.796 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.552 12.450 3.673 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.246 14.730 3.107 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.186 15.397 4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.963 15.635 2.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.680 14.268 3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.559 14.081 1.792 1.00 0.00 H new ATOM 907 N HIS A 79 -0.942 9.327 7.719 1.00 0.00 N ATOM 908 CA HIS A 79 -1.543 8.352 8.612 1.00 0.00 C ATOM 909 C HIS A 79 -0.484 7.560 9.365 1.00 0.00 C ATOM 910 O HIS A 79 -0.747 7.034 10.445 1.00 0.00 O ATOM 911 CB HIS A 79 -2.474 7.410 7.852 1.00 0.00 C ATOM 912 CG HIS A 79 -3.618 6.911 8.680 1.00 0.00 C ATOM 913 ND1 HIS A 79 -3.549 5.787 9.478 1.00 0.00 N ATOM 914 CD2 HIS A 79 -4.871 7.402 8.836 1.00 0.00 C ATOM 915 CE1 HIS A 79 -4.709 5.610 10.084 1.00 0.00 C ATOM 916 NE2 HIS A 79 -5.526 6.575 9.711 1.00 0.00 N ATOM 0 H HIS A 79 -0.658 8.966 6.808 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.135 8.903 9.343 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -2.867 7.927 6.977 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.899 6.558 7.488 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.278 8.282 8.359 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.948 4.810 10.769 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.490 6.688 10.023 1.00 0.00 H new ATOM 925 N GLY A 80 0.712 7.474 8.794 1.00 0.00 N ATOM 926 CA GLY A 80 1.772 6.726 9.431 1.00 0.00 C ATOM 927 C GLY A 80 1.766 5.251 9.068 1.00 0.00 C ATOM 928 O GLY A 80 2.317 4.434 9.808 1.00 0.00 O ATOM 0 H GLY A 80 0.963 7.908 7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.732 7.159 9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.680 6.828 10.512 1.00 0.00 H new ATOM 932 N ILE A 81 1.147 4.891 7.939 1.00 0.00 N ATOM 933 CA ILE A 81 1.098 3.508 7.523 1.00 0.00 C ATOM 934 C ILE A 81 2.471 3.097 7.005 1.00 0.00 C ATOM 935 O ILE A 81 3.210 3.935 6.493 1.00 0.00 O ATOM 936 CB ILE A 81 0.018 3.298 6.437 1.00 0.00 C ATOM 937 CG1 ILE A 81 -0.238 1.807 6.220 1.00 0.00 C ATOM 938 CG2 ILE A 81 0.411 3.966 5.131 1.00 0.00 C ATOM 939 CD1 ILE A 81 -1.137 1.514 5.040 1.00 0.00 C ATOM 0 H ILE A 81 0.679 5.542 7.308 1.00 0.00 H new ATOM 0 HA ILE A 81 0.831 2.884 8.376 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.903 3.764 6.786 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.716 1.300 6.074 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.687 1.389 7.121 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.369 3.800 4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.536 5.037 5.293 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.349 3.542 4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.275 0.437 4.946 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.105 1.992 5.192 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.680 1.902 4.129 1.00 0.00 H new ATOM 951 N ASN A 82 2.853 1.845 7.201 1.00 0.00 N ATOM 952 CA ASN A 82 4.178 1.407 6.800 1.00 0.00 C ATOM 953 C ASN A 82 4.118 0.365 5.698 1.00 0.00 C ATOM 954 O ASN A 82 3.427 -0.642 5.813 1.00 0.00 O ATOM 955 CB ASN A 82 4.958 0.865 7.998 1.00 0.00 C ATOM 956 CG ASN A 82 5.312 1.954 8.987 1.00 0.00 C ATOM 957 OD1 ASN A 82 5.437 1.702 10.188 1.00 0.00 O ATOM 958 ND2 ASN A 82 5.475 3.173 8.490 1.00 0.00 N ATOM 0 H ASN A 82 2.273 1.124 7.629 1.00 0.00 H new ATOM 0 HA ASN A 82 4.699 2.279 6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 82 4.366 0.099 8.499 1.00 0.00 H new ATOM 0 HB3 ASN A 82 5.871 0.383 7.648 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.714 3.948 9.108 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.362 3.335 7.489 1.00 0.00 H new ATOM 965 N ILE A 83 4.850 0.633 4.632 1.00 0.00 N ATOM 966 CA ILE A 83 4.975 -0.286 3.516 1.00 0.00 C ATOM 967 C ILE A 83 6.278 0.009 2.785 1.00 0.00 C ATOM 968 O ILE A 83 6.610 1.169 2.534 1.00 0.00 O ATOM 969 CB ILE A 83 3.772 -0.183 2.541 1.00 0.00 C ATOM 970 CG1 ILE A 83 3.867 -1.236 1.440 1.00 0.00 C ATOM 971 CG2 ILE A 83 3.655 1.207 1.937 1.00 0.00 C ATOM 972 CD1 ILE A 83 3.441 -2.611 1.899 1.00 0.00 C ATOM 0 H ILE A 83 5.377 1.499 4.516 1.00 0.00 H new ATOM 0 HA ILE A 83 4.982 -1.305 3.903 1.00 0.00 H new ATOM 0 HB ILE A 83 2.870 -0.371 3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.245 -0.931 0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.894 -1.282 1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.801 1.239 1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.515 1.939 2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.565 1.441 1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 83 3.531 -3.315 1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.079 -2.934 2.721 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.405 -2.577 2.236 1.00 0.00 H new ATOM 984 N VAL A 84 7.040 -1.025 2.498 1.00 0.00 N ATOM 985 CA VAL A 84 8.311 -0.859 1.827 1.00 0.00 C ATOM 986 C VAL A 84 8.147 -1.154 0.336 1.00 0.00 C ATOM 987 O VAL A 84 7.280 -1.938 -0.060 1.00 0.00 O ATOM 988 CB VAL A 84 9.377 -1.784 2.478 1.00 0.00 C ATOM 989 CG1 VAL A 84 9.848 -2.878 1.533 1.00 0.00 C ATOM 990 CG2 VAL A 84 10.550 -0.960 2.981 1.00 0.00 C ATOM 0 H VAL A 84 6.800 -1.991 2.720 1.00 0.00 H new ATOM 0 HA VAL A 84 8.653 0.171 1.933 1.00 0.00 H new ATOM 0 HB VAL A 84 8.904 -2.283 3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.592 -3.497 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.999 -3.496 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.291 -2.426 0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 84 11.290 -1.619 3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.004 -0.426 2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 84 10.199 -0.243 3.723 1.00 0.00 H new ATOM 1000 N GLU A 85 8.967 -0.520 -0.490 1.00 0.00 N ATOM 1001 CA GLU A 85 8.885 -0.713 -1.927 1.00 0.00 C ATOM 1002 C GLU A 85 9.822 -1.828 -2.355 1.00 0.00 C ATOM 1003 O GLU A 85 9.619 -2.455 -3.391 1.00 0.00 O ATOM 1004 CB GLU A 85 9.246 0.570 -2.681 1.00 0.00 C ATOM 1005 CG GLU A 85 8.432 1.784 -2.268 1.00 0.00 C ATOM 1006 CD GLU A 85 8.753 3.008 -3.105 1.00 0.00 C ATOM 1007 OE1 GLU A 85 9.898 3.510 -3.024 1.00 0.00 O ATOM 1008 OE2 GLU A 85 7.866 3.471 -3.851 1.00 0.00 O ATOM 0 H GLU A 85 9.694 0.130 -0.189 1.00 0.00 H new ATOM 0 HA GLU A 85 7.857 -0.980 -2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.303 0.785 -2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.110 0.401 -3.749 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.370 1.554 -2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.622 2.005 -1.218 1.00 0.00 H new ATOM 1015 N ASN A 86 10.859 -2.040 -1.538 1.00 0.00 N ATOM 1016 CA ASN A 86 11.894 -3.049 -1.790 1.00 0.00 C ATOM 1017 C ASN A 86 12.782 -2.595 -2.942 1.00 0.00 C ATOM 1018 O ASN A 86 13.638 -3.332 -3.424 1.00 0.00 O ATOM 1019 CB ASN A 86 11.277 -4.422 -2.096 1.00 0.00 C ATOM 1020 CG ASN A 86 12.208 -5.581 -1.780 1.00 0.00 C ATOM 1021 OD1 ASN A 86 13.429 -5.450 -1.806 1.00 0.00 O ATOM 1022 ND2 ASN A 86 11.625 -6.732 -1.486 1.00 0.00 N ATOM 0 H ASN A 86 11.005 -1.513 -0.677 1.00 0.00 H new ATOM 0 HA ASN A 86 12.497 -3.155 -0.888 1.00 0.00 H new ATOM 0 HB2 ASN A 86 10.358 -4.536 -1.522 1.00 0.00 H new ATOM 0 HB3 ASN A 86 11.002 -4.463 -3.150 1.00 0.00 H new ATOM 0 HD21 ASN A 86 12.193 -7.551 -1.270 1.00 0.00 H new ATOM 0 HD22 ASN A 86 10.607 -6.800 -1.475 1.00 0.00 H new ATOM 1029 N GLU A 87 12.571 -1.358 -3.363 1.00 0.00 N ATOM 1030 CA GLU A 87 13.338 -0.774 -4.441 1.00 0.00 C ATOM 1031 C GLU A 87 14.663 -0.257 -3.897 1.00 0.00 C ATOM 1032 O GLU A 87 14.692 0.502 -2.928 1.00 0.00 O ATOM 1033 CB GLU A 87 12.534 0.363 -5.076 1.00 0.00 C ATOM 1034 CG GLU A 87 13.192 0.991 -6.289 1.00 0.00 C ATOM 1035 CD GLU A 87 12.331 2.074 -6.902 1.00 0.00 C ATOM 1036 OE1 GLU A 87 12.417 3.235 -6.452 1.00 0.00 O ATOM 1037 OE2 GLU A 87 11.559 1.773 -7.834 1.00 0.00 O ATOM 0 H GLU A 87 11.866 -0.737 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 87 13.544 -1.526 -5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.554 -0.018 -5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.367 1.137 -4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.155 1.412 -6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.391 0.220 -7.034 1.00 0.00 H new ATOM 1044 N PRO A 88 15.776 -0.668 -4.508 1.00 0.00 N ATOM 1045 CA PRO A 88 17.102 -0.281 -4.052 1.00 0.00 C ATOM 1046 C PRO A 88 17.491 1.121 -4.502 1.00 0.00 C ATOM 1047 O PRO A 88 17.411 1.459 -5.684 1.00 0.00 O ATOM 1048 CB PRO A 88 18.006 -1.329 -4.697 1.00 0.00 C ATOM 1049 CG PRO A 88 17.300 -1.715 -5.952 1.00 0.00 C ATOM 1050 CD PRO A 88 15.827 -1.560 -5.680 1.00 0.00 C ATOM 0 HA PRO A 88 17.170 -0.247 -2.965 1.00 0.00 H new ATOM 0 HB2 PRO A 88 18.995 -0.923 -4.908 1.00 0.00 H new ATOM 0 HB3 PRO A 88 18.147 -2.188 -4.041 1.00 0.00 H new ATOM 0 HG2 PRO A 88 17.610 -1.080 -6.782 1.00 0.00 H new ATOM 0 HG3 PRO A 88 17.537 -2.742 -6.230 1.00 0.00 H new ATOM 0 HD2 PRO A 88 15.306 -1.128 -6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 88 15.356 -2.521 -5.472 1.00 0.00 H new ATOM 1058 N GLU A 89 17.906 1.937 -3.549 1.00 0.00 N ATOM 1059 CA GLU A 89 18.399 3.271 -3.847 1.00 0.00 C ATOM 1060 C GLU A 89 19.922 3.267 -3.862 1.00 0.00 C ATOM 1061 O GLU A 89 20.568 4.313 -3.800 1.00 0.00 O ATOM 1062 CB GLU A 89 17.860 4.299 -2.841 1.00 0.00 C ATOM 1063 CG GLU A 89 17.239 3.695 -1.588 1.00 0.00 C ATOM 1064 CD GLU A 89 18.236 2.952 -0.724 1.00 0.00 C ATOM 1065 OE1 GLU A 89 18.952 3.608 0.056 1.00 0.00 O ATOM 1066 OE2 GLU A 89 18.300 1.707 -0.819 1.00 0.00 O ATOM 0 H GLU A 89 17.911 1.698 -2.557 1.00 0.00 H new ATOM 0 HA GLU A 89 18.039 3.563 -4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 89 18.675 4.959 -2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 89 17.113 4.918 -3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.780 4.489 -1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.441 3.012 -1.879 1.00 0.00 H new ATOM 1073 N GLU A 90 20.488 2.072 -3.959 1.00 0.00 N ATOM 1074 CA GLU A 90 21.932 1.904 -3.999 1.00 0.00 C ATOM 1075 C GLU A 90 22.459 2.069 -5.419 1.00 0.00 C ATOM 1076 O GLU A 90 22.856 1.100 -6.067 1.00 0.00 O ATOM 1077 CB GLU A 90 22.325 0.534 -3.443 1.00 0.00 C ATOM 1078 CG GLU A 90 22.106 0.407 -1.945 1.00 0.00 C ATOM 1079 CD GLU A 90 22.977 1.361 -1.153 1.00 0.00 C ATOM 1080 OE1 GLU A 90 22.616 2.548 -1.037 1.00 0.00 O ATOM 1081 OE2 GLU A 90 24.032 0.928 -0.644 1.00 0.00 O ATOM 0 H GLU A 90 19.963 1.199 -4.012 1.00 0.00 H new ATOM 0 HA GLU A 90 22.381 2.677 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 90 21.748 -0.237 -3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 90 23.375 0.347 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 90 21.058 0.600 -1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 90 22.317 -0.616 -1.635 1.00 0.00 H new ATOM 1088 N GLU A 91 22.442 3.298 -5.904 1.00 0.00 N ATOM 1089 CA GLU A 91 23.002 3.609 -7.205 1.00 0.00 C ATOM 1090 C GLU A 91 23.621 4.993 -7.172 1.00 0.00 C ATOM 1091 O GLU A 91 23.074 5.906 -6.555 1.00 0.00 O ATOM 1092 CB GLU A 91 21.934 3.529 -8.299 1.00 0.00 C ATOM 1093 CG GLU A 91 22.484 3.782 -9.695 1.00 0.00 C ATOM 1094 CD GLU A 91 23.624 2.846 -10.048 1.00 0.00 C ATOM 1095 OE1 GLU A 91 24.783 3.134 -9.664 1.00 0.00 O ATOM 1096 OE2 GLU A 91 23.370 1.824 -10.713 1.00 0.00 O ATOM 0 H GLU A 91 22.045 4.099 -5.413 1.00 0.00 H new ATOM 0 HA GLU A 91 23.772 2.873 -7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 91 21.469 2.544 -8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 91 21.151 4.257 -8.087 1.00 0.00 H new ATOM 0 HG2 GLU A 91 21.683 3.665 -10.425 1.00 0.00 H new ATOM 0 HG3 GLU A 91 22.830 4.813 -9.764 1.00 0.00 H new ATOM 1103 N GLU A 92 24.755 5.136 -7.841 1.00 0.00 N ATOM 1104 CA GLU A 92 25.497 6.389 -7.858 1.00 0.00 C ATOM 1105 C GLU A 92 26.716 6.257 -8.763 1.00 0.00 C ATOM 1106 O GLU A 92 26.754 6.808 -9.863 1.00 0.00 O ATOM 1107 CB GLU A 92 25.942 6.773 -6.439 1.00 0.00 C ATOM 1108 CG GLU A 92 26.617 8.133 -6.348 1.00 0.00 C ATOM 1109 CD GLU A 92 25.681 9.270 -6.695 1.00 0.00 C ATOM 1110 OE1 GLU A 92 25.540 9.590 -7.895 1.00 0.00 O ATOM 1111 OE2 GLU A 92 25.079 9.850 -5.769 1.00 0.00 O ATOM 0 H GLU A 92 25.186 4.390 -8.386 1.00 0.00 H new ATOM 0 HA GLU A 92 24.844 7.173 -8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 92 25.072 6.766 -5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 92 26.628 6.013 -6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 92 27.000 8.278 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 92 27.475 8.155 -7.020 1.00 0.00 H new ATOM 1118 N ILE A 93 27.700 5.499 -8.293 1.00 0.00 N ATOM 1119 CA ILE A 93 28.948 5.317 -9.023 1.00 0.00 C ATOM 1120 C ILE A 93 28.922 4.027 -9.850 1.00 0.00 C ATOM 1121 O ILE A 93 29.670 3.877 -10.816 1.00 0.00 O ATOM 1122 CB ILE A 93 30.161 5.307 -8.058 1.00 0.00 C ATOM 1123 CG1 ILE A 93 31.472 5.081 -8.822 1.00 0.00 C ATOM 1124 CG2 ILE A 93 29.974 4.252 -6.975 1.00 0.00 C ATOM 1125 CD1 ILE A 93 32.702 5.100 -7.943 1.00 0.00 C ATOM 0 H ILE A 93 27.657 4.999 -7.405 1.00 0.00 H new ATOM 0 HA ILE A 93 29.054 6.161 -9.704 1.00 0.00 H new ATOM 0 HB ILE A 93 30.220 6.284 -7.578 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.420 4.122 -9.338 1.00 0.00 H new ATOM 0 HG13 ILE A 93 31.572 5.850 -9.588 1.00 0.00 H new ATOM 0 HG21 ILE A 93 30.835 4.260 -6.307 1.00 0.00 H new ATOM 0 HG22 ILE A 93 29.071 4.471 -6.405 1.00 0.00 H new ATOM 0 HG23 ILE A 93 29.882 3.269 -7.437 1.00 0.00 H new ATOM 0 HD11 ILE A 93 33.589 4.933 -8.554 1.00 0.00 H new ATOM 0 HD12 ILE A 93 32.780 6.067 -7.447 1.00 0.00 H new ATOM 0 HD13 ILE A 93 32.625 4.313 -7.193 1.00 0.00 H new ATOM 1137 N SER A 94 28.028 3.110 -9.463 1.00 0.00 N ATOM 1138 CA SER A 94 27.880 1.817 -10.131 1.00 0.00 C ATOM 1139 C SER A 94 29.177 1.006 -10.041 1.00 0.00 C ATOM 1140 O SER A 94 29.547 0.298 -10.976 1.00 0.00 O ATOM 1141 CB SER A 94 27.477 2.018 -11.596 1.00 0.00 C ATOM 1142 OG SER A 94 26.387 2.924 -11.710 1.00 0.00 O ATOM 0 H SER A 94 27.389 3.245 -8.679 1.00 0.00 H new ATOM 0 HA SER A 94 27.093 1.258 -9.625 1.00 0.00 H new ATOM 0 HB2 SER A 94 28.329 2.397 -12.161 1.00 0.00 H new ATOM 0 HB3 SER A 94 27.203 1.059 -12.036 1.00 0.00 H new ATOM 0 HG SER A 94 25.958 3.032 -10.835 1.00 0.00 H new ATOM 1148 N ALA A 95 29.848 1.094 -8.895 1.00 0.00 N ATOM 1149 CA ALA A 95 31.154 0.466 -8.720 1.00 0.00 C ATOM 1150 C ALA A 95 31.021 -0.991 -8.290 1.00 0.00 C ATOM 1151 O ALA A 95 32.013 -1.713 -8.201 1.00 0.00 O ATOM 1152 CB ALA A 95 31.982 1.238 -7.706 1.00 0.00 C ATOM 0 H ALA A 95 29.508 1.594 -8.074 1.00 0.00 H new ATOM 0 HA ALA A 95 31.662 0.486 -9.684 1.00 0.00 H new ATOM 0 HB1 ALA A 95 32.953 0.757 -7.587 1.00 0.00 H new ATOM 0 HB2 ALA A 95 32.124 2.261 -8.055 1.00 0.00 H new ATOM 0 HB3 ALA A 95 31.464 1.251 -6.747 1.00 0.00 H new ATOM 1158 N GLY A 96 29.799 -1.413 -8.013 1.00 0.00 N ATOM 1159 CA GLY A 96 29.561 -2.784 -7.623 1.00 0.00 C ATOM 1160 C GLY A 96 28.335 -2.909 -6.752 1.00 0.00 C ATOM 1161 O GLY A 96 27.427 -2.063 -6.883 1.00 0.00 O ATOM 1162 OXT GLY A 96 28.268 -3.854 -5.940 1.00 0.00 O ATOM 0 H GLY A 96 28.965 -0.828 -8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 96 29.440 -3.400 -8.514 1.00 0.00 H new ATOM 0 HA3 GLY A 96 30.430 -3.166 -7.087 1.00 0.00 H new TER 1166 GLY A 96