USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 658 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 55 GLN : amide:sc= -3.08! C(o=-3.5!,f=-12!) USER MOD Set 1.2: A 58 GLN : amide:sc= -0.446 K(o=-3.5,f=-5.6) USER MOD Set 2.1: A 17 HIS : no HD1:sc= -16.2! C(o=-17!,f=-16!) USER MOD Set 2.2: A 30 TYR OH : rot -127:sc= -1.01! USER MOD Single : A 2 LYS NZ :NH3+ 176:sc= 0.265 (180deg=0.261) USER MOD Single : A 6 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 9 GLN : amide:sc= -0.44 X(o=-0.44,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.633 X(o=-0.63,f=-0.19) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= 0.0621 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 165:sc=-0.000999 (180deg=-0.117) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.729 X(o=-0.73,f=-0.3) USER MOD Single : A 40 CYS SG : rot 74:sc= -4.59! USER MOD Single : A 42 THR OG1 : rot -129:sc= 1.07 USER MOD Single : A 47 TYR OH : rot -67:sc= -5.63! USER MOD Single : A 59 SER OG : rot -140:sc= 0.314 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -177:sc= -4.63! USER MOD Single : A 72 GLN : amide:sc= -0.912 K(o=-0.91,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.135) USER MOD Single : A 82 CYS SG : rot -121:sc= -1.35 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 2 -4.858 4.997 9.373 1.00 0.00 N ATOM 26 CA LYS A 2 -3.638 5.557 8.736 1.00 0.00 C ATOM 27 C LYS A 2 -2.643 4.427 8.450 1.00 0.00 C ATOM 28 O LYS A 2 -2.545 3.462 9.181 1.00 0.00 O ATOM 29 CB LYS A 2 -3.026 6.632 9.658 1.00 0.00 C ATOM 30 CG LYS A 2 -1.698 6.165 10.274 1.00 0.00 C ATOM 31 CD LYS A 2 -0.989 7.359 10.916 1.00 0.00 C ATOM 32 CE LYS A 2 -0.081 8.029 9.882 1.00 0.00 C ATOM 33 NZ LYS A 2 1.119 8.591 10.563 1.00 0.00 N ATOM 0 HA LYS A 2 -3.892 6.029 7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.861 7.547 9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.731 6.873 10.454 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.882 5.393 11.021 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.064 5.721 9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.723 8.074 11.289 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.401 7.029 11.773 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.223 7.305 9.126 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.623 8.821 9.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.768 8.986 9.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.826 9.342 11.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.602 7.838 11.092 1.00 0.00 H new ATOM 47 N ALA A 3 -1.909 4.554 7.384 1.00 0.00 N ATOM 48 CA ALA A 3 -0.913 3.510 7.019 1.00 0.00 C ATOM 49 C ALA A 3 0.477 4.146 6.918 1.00 0.00 C ATOM 50 O ALA A 3 0.613 5.337 6.723 1.00 0.00 O ATOM 51 CB ALA A 3 -1.294 2.906 5.666 1.00 0.00 C ATOM 0 H ALA A 3 -1.956 5.345 6.742 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.901 2.730 7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.568 2.140 5.392 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.286 2.459 5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.300 3.688 4.907 1.00 0.00 H new ATOM 57 N VAL A 4 1.510 3.359 7.050 1.00 0.00 N ATOM 58 CA VAL A 4 2.891 3.915 6.960 1.00 0.00 C ATOM 59 C VAL A 4 3.801 2.909 6.252 1.00 0.00 C ATOM 60 O VAL A 4 4.043 1.826 6.746 1.00 0.00 O ATOM 61 CB VAL A 4 3.426 4.176 8.369 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.849 4.733 8.282 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.520 5.187 9.074 1.00 0.00 C ATOM 0 H VAL A 4 1.458 2.354 7.216 1.00 0.00 H new ATOM 0 HA VAL A 4 2.871 4.848 6.397 1.00 0.00 H new ATOM 0 HB VAL A 4 3.439 3.244 8.933 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.229 4.919 9.287 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.492 4.011 7.778 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.841 5.666 7.719 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.898 5.376 10.079 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.507 6.120 8.510 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.508 4.787 9.136 1.00 0.00 H new ATOM 73 N ILE A 5 4.311 3.255 5.100 1.00 0.00 N ATOM 74 CA ILE A 5 5.206 2.307 4.377 1.00 0.00 C ATOM 75 C ILE A 5 6.663 2.635 4.690 1.00 0.00 C ATOM 76 O ILE A 5 7.251 3.522 4.103 1.00 0.00 O ATOM 77 CB ILE A 5 4.977 2.419 2.871 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.462 2.321 2.593 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.756 1.299 2.162 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.151 1.257 1.531 1.00 0.00 C ATOM 0 H ILE A 5 4.148 4.146 4.632 1.00 0.00 H new ATOM 0 HA ILE A 5 4.981 1.291 4.702 1.00 0.00 H new ATOM 0 HB ILE A 5 5.336 3.375 2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.937 2.078 3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.089 3.289 2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.598 1.371 1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.819 1.400 2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.404 0.330 2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.075 1.216 1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.656 1.514 0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.501 0.284 1.877 1.00 0.00 H new ATOM 92 N ASN A 6 7.250 1.923 5.607 1.00 0.00 N ATOM 93 CA ASN A 6 8.666 2.181 5.958 1.00 0.00 C ATOM 94 C ASN A 6 9.569 1.520 4.912 1.00 0.00 C ATOM 95 O ASN A 6 9.804 0.329 4.945 1.00 0.00 O ATOM 96 CB ASN A 6 8.943 1.587 7.337 1.00 0.00 C ATOM 97 CG ASN A 6 8.022 2.243 8.368 1.00 0.00 C ATOM 98 OD1 ASN A 6 7.323 1.565 9.095 1.00 0.00 O ATOM 99 ND2 ASN A 6 7.992 3.545 8.463 1.00 0.00 N ATOM 0 H ASN A 6 6.805 1.169 6.130 1.00 0.00 H new ATOM 0 HA ASN A 6 8.865 3.253 5.976 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.779 0.510 7.320 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.986 1.747 7.611 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.382 3.993 9.147 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.579 4.115 7.853 1.00 0.00 H new ATOM 106 N GLY A 7 10.064 2.284 3.976 1.00 0.00 N ATOM 107 CA GLY A 7 10.940 1.702 2.918 1.00 0.00 C ATOM 108 C GLY A 7 12.153 1.022 3.556 1.00 0.00 C ATOM 109 O GLY A 7 12.453 -0.121 3.275 1.00 0.00 O ATOM 0 H GLY A 7 9.899 3.288 3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.378 0.980 2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.270 2.486 2.236 1.00 0.00 H new ATOM 113 N GLU A 8 12.855 1.714 4.410 1.00 0.00 N ATOM 114 CA GLU A 8 14.051 1.106 5.059 1.00 0.00 C ATOM 115 C GLU A 8 13.697 -0.280 5.604 1.00 0.00 C ATOM 116 O GLU A 8 14.558 -1.112 5.815 1.00 0.00 O ATOM 117 CB GLU A 8 14.515 2.001 6.211 1.00 0.00 C ATOM 118 CG GLU A 8 15.178 3.258 5.645 1.00 0.00 C ATOM 119 CD GLU A 8 15.882 4.015 6.773 1.00 0.00 C ATOM 120 OE1 GLU A 8 16.106 3.417 7.812 1.00 0.00 O ATOM 121 OE2 GLU A 8 16.186 5.181 6.578 1.00 0.00 O ATOM 0 H GLU A 8 12.652 2.675 4.687 1.00 0.00 H new ATOM 0 HA GLU A 8 14.850 1.011 4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.666 2.275 6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.218 1.461 6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.896 2.986 4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.430 3.897 5.175 1.00 0.00 H new ATOM 128 N GLN A 9 12.440 -0.534 5.844 1.00 0.00 N ATOM 129 CA GLN A 9 12.038 -1.861 6.385 1.00 0.00 C ATOM 130 C GLN A 9 11.746 -2.831 5.239 1.00 0.00 C ATOM 131 O GLN A 9 12.189 -3.963 5.243 1.00 0.00 O ATOM 132 CB GLN A 9 10.781 -1.693 7.240 1.00 0.00 C ATOM 133 CG GLN A 9 11.077 -0.745 8.403 1.00 0.00 C ATOM 134 CD GLN A 9 11.449 -1.559 9.644 1.00 0.00 C ATOM 135 OE1 GLN A 9 10.691 -1.624 10.592 1.00 0.00 O ATOM 136 NE2 GLN A 9 12.592 -2.187 9.679 1.00 0.00 N ATOM 0 H GLN A 9 11.674 0.121 5.688 1.00 0.00 H new ATOM 0 HA GLN A 9 12.850 -2.263 6.991 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.966 -1.298 6.633 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.455 -2.661 7.620 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.893 -0.072 8.139 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.206 -0.124 8.610 1.00 0.00 H new ATOM 0 HE21 GLN A 9 13.228 -2.133 8.884 1.00 0.00 H new ATOM 0 HE22 GLN A 9 12.849 -2.732 10.502 1.00 0.00 H new ATOM 145 N ILE A 10 10.989 -2.405 4.268 1.00 0.00 N ATOM 146 CA ILE A 10 10.650 -3.309 3.134 1.00 0.00 C ATOM 147 C ILE A 10 11.875 -4.107 2.694 1.00 0.00 C ATOM 148 O ILE A 10 12.938 -3.569 2.454 1.00 0.00 O ATOM 149 CB ILE A 10 10.135 -2.495 1.945 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.757 -1.931 2.271 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.024 -3.406 0.719 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.752 -3.073 2.351 1.00 0.00 C ATOM 0 H ILE A 10 10.589 -1.468 4.210 1.00 0.00 H new ATOM 0 HA ILE A 10 9.876 -3.997 3.473 1.00 0.00 H new ATOM 0 HB ILE A 10 10.826 -1.678 1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.787 -1.391 3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.453 -1.217 1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.657 -2.830 -0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.005 -3.818 0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.331 -4.220 0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.765 -2.673 2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.716 -3.594 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.055 -3.770 3.132 1.00 0.00 H new ATOM 164 N ARG A 11 11.714 -5.392 2.568 1.00 0.00 N ATOM 165 CA ARG A 11 12.827 -6.261 2.123 1.00 0.00 C ATOM 166 C ARG A 11 12.445 -6.895 0.780 1.00 0.00 C ATOM 167 O ARG A 11 13.240 -7.556 0.142 1.00 0.00 O ATOM 168 CB ARG A 11 13.041 -7.357 3.163 1.00 0.00 C ATOM 169 CG ARG A 11 13.825 -6.790 4.347 1.00 0.00 C ATOM 170 CD ARG A 11 14.807 -7.843 4.862 1.00 0.00 C ATOM 171 NE ARG A 11 14.250 -8.486 6.086 1.00 0.00 N ATOM 172 CZ ARG A 11 14.762 -9.602 6.527 1.00 0.00 C ATOM 173 NH1 ARG A 11 16.028 -9.661 6.840 1.00 0.00 N ATOM 174 NH2 ARG A 11 14.009 -10.660 6.656 1.00 0.00 N ATOM 0 H ARG A 11 10.840 -5.883 2.759 1.00 0.00 H new ATOM 0 HA ARG A 11 13.743 -5.681 2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.080 -7.745 3.501 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.584 -8.192 2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.364 -5.893 4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.140 -6.496 5.143 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.987 -8.595 4.093 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.768 -7.380 5.087 1.00 0.00 H new ATOM 0 HE ARG A 11 13.469 -8.054 6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.617 -8.834 6.740 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.428 -10.534 7.185 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.020 -10.615 6.412 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.410 -11.532 7.001 1.00 0.00 H new ATOM 188 N SER A 12 11.223 -6.695 0.352 1.00 0.00 N ATOM 189 CA SER A 12 10.768 -7.277 -0.941 1.00 0.00 C ATOM 190 C SER A 12 9.292 -6.922 -1.158 1.00 0.00 C ATOM 191 O SER A 12 8.624 -6.421 -0.268 1.00 0.00 O ATOM 192 CB SER A 12 10.927 -8.797 -0.902 1.00 0.00 C ATOM 193 OG SER A 12 10.435 -9.289 0.338 1.00 0.00 O ATOM 0 H SER A 12 10.519 -6.149 0.849 1.00 0.00 H new ATOM 0 HA SER A 12 11.368 -6.874 -1.757 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.382 -9.253 -1.729 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.976 -9.068 -1.023 1.00 0.00 H new ATOM 0 HG SER A 12 10.534 -10.264 0.366 1.00 0.00 H new ATOM 199 N ILE A 13 8.770 -7.172 -2.328 1.00 0.00 N ATOM 200 CA ILE A 13 7.341 -6.839 -2.572 1.00 0.00 C ATOM 201 C ILE A 13 6.492 -7.487 -1.484 1.00 0.00 C ATOM 202 O ILE A 13 5.666 -6.845 -0.874 1.00 0.00 O ATOM 203 CB ILE A 13 6.899 -7.351 -3.946 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.536 -6.745 -4.309 1.00 0.00 C ATOM 205 CG2 ILE A 13 6.779 -8.874 -3.910 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.521 -5.246 -3.986 1.00 0.00 C ATOM 0 H ILE A 13 9.266 -7.588 -3.116 1.00 0.00 H new ATOM 0 HA ILE A 13 7.214 -5.757 -2.551 1.00 0.00 H new ATOM 0 HB ILE A 13 7.638 -7.059 -4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.332 -6.898 -5.369 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.745 -7.252 -3.756 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.464 -9.237 -4.888 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.745 -9.309 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.042 -9.163 -3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.549 -4.827 -4.248 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.704 -5.101 -2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.299 -4.742 -4.559 1.00 0.00 H new ATOM 218 N SER A 14 6.698 -8.748 -1.216 1.00 0.00 N ATOM 219 CA SER A 14 5.903 -9.406 -0.145 1.00 0.00 C ATOM 220 C SER A 14 5.932 -8.499 1.079 1.00 0.00 C ATOM 221 O SER A 14 4.928 -8.260 1.723 1.00 0.00 O ATOM 222 CB SER A 14 6.531 -10.755 0.204 1.00 0.00 C ATOM 223 OG SER A 14 5.783 -11.364 1.249 1.00 0.00 O ATOM 0 H SER A 14 7.377 -9.345 -1.689 1.00 0.00 H new ATOM 0 HA SER A 14 4.878 -9.571 -0.476 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.544 -11.401 -0.674 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.567 -10.618 0.515 1.00 0.00 H new ATOM 0 HG SER A 14 6.182 -12.230 1.475 1.00 0.00 H new ATOM 229 N ASP A 15 7.085 -7.979 1.390 1.00 0.00 N ATOM 230 CA ASP A 15 7.210 -7.070 2.550 1.00 0.00 C ATOM 231 C ASP A 15 6.258 -5.894 2.366 1.00 0.00 C ATOM 232 O ASP A 15 5.565 -5.497 3.274 1.00 0.00 O ATOM 233 CB ASP A 15 8.642 -6.554 2.635 1.00 0.00 C ATOM 234 CG ASP A 15 9.249 -6.951 3.982 1.00 0.00 C ATOM 235 OD1 ASP A 15 9.022 -6.238 4.945 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.930 -7.962 4.027 1.00 0.00 O ATOM 0 H ASP A 15 7.953 -8.150 0.882 1.00 0.00 H new ATOM 0 HA ASP A 15 6.962 -7.605 3.467 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.237 -6.966 1.820 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.656 -5.470 2.523 1.00 0.00 H new ATOM 241 N LEU A 16 6.219 -5.337 1.190 1.00 0.00 N ATOM 242 CA LEU A 16 5.307 -4.189 0.938 1.00 0.00 C ATOM 243 C LEU A 16 3.872 -4.605 1.261 1.00 0.00 C ATOM 244 O LEU A 16 3.173 -3.952 2.014 1.00 0.00 O ATOM 245 CB LEU A 16 5.412 -3.795 -0.533 1.00 0.00 C ATOM 246 CG LEU A 16 4.871 -2.379 -0.728 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.583 -1.424 0.233 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.127 -1.934 -2.168 1.00 0.00 C ATOM 0 H LEU A 16 6.781 -5.628 0.390 1.00 0.00 H new ATOM 0 HA LEU A 16 5.584 -3.342 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.451 -3.846 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.850 -4.497 -1.148 1.00 0.00 H new ATOM 0 HG LEU A 16 3.800 -2.367 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.198 -0.414 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.405 -1.742 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.654 -1.435 0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.742 -0.924 -2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.199 -1.946 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.623 -2.615 -2.854 1.00 0.00 H new ATOM 260 N HIS A 17 3.436 -5.693 0.699 1.00 0.00 N ATOM 261 CA HIS A 17 2.058 -6.174 0.958 1.00 0.00 C ATOM 262 C HIS A 17 1.923 -6.567 2.431 1.00 0.00 C ATOM 263 O HIS A 17 0.838 -6.647 2.966 1.00 0.00 O ATOM 264 CB HIS A 17 1.790 -7.380 0.061 1.00 0.00 C ATOM 265 CG HIS A 17 2.001 -6.977 -1.373 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.356 -5.886 -1.935 1.00 0.00 N ATOM 267 CD2 HIS A 17 2.791 -7.498 -2.368 1.00 0.00 C ATOM 268 CE1 HIS A 17 1.765 -5.786 -3.213 1.00 0.00 C ATOM 269 NE2 HIS A 17 2.639 -6.744 -3.529 1.00 0.00 N ATOM 0 H HIS A 17 3.983 -6.275 0.064 1.00 0.00 H new ATOM 0 HA HIS A 17 1.334 -5.389 0.740 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.457 -8.201 0.324 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.771 -7.738 0.206 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.432 -8.361 -2.266 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.427 -5.024 -3.899 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.097 -6.892 -4.428 1.00 0.00 H new ATOM 277 N GLN A 18 3.015 -6.807 3.099 1.00 0.00 N ATOM 278 CA GLN A 18 2.931 -7.178 4.530 1.00 0.00 C ATOM 279 C GLN A 18 2.613 -5.926 5.354 1.00 0.00 C ATOM 280 O GLN A 18 1.627 -5.867 6.067 1.00 0.00 O ATOM 281 CB GLN A 18 4.265 -7.770 4.989 1.00 0.00 C ATOM 282 CG GLN A 18 4.008 -9.062 5.768 1.00 0.00 C ATOM 283 CD GLN A 18 4.768 -9.019 7.095 1.00 0.00 C ATOM 284 OE1 GLN A 18 5.356 -10.001 7.503 1.00 0.00 O ATOM 285 NE2 GLN A 18 4.781 -7.915 7.790 1.00 0.00 N ATOM 0 H GLN A 18 3.958 -6.762 2.714 1.00 0.00 H new ATOM 0 HA GLN A 18 2.145 -7.920 4.670 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.901 -7.973 4.127 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.796 -7.054 5.616 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.940 -9.182 5.952 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.329 -9.923 5.181 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.287 -7.091 7.447 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.285 -7.876 8.676 1.00 0.00 H new ATOM 294 N THR A 19 3.443 -4.922 5.257 1.00 0.00 N ATOM 295 CA THR A 19 3.201 -3.679 6.022 1.00 0.00 C ATOM 296 C THR A 19 1.828 -3.127 5.636 1.00 0.00 C ATOM 297 O THR A 19 1.102 -2.624 6.465 1.00 0.00 O ATOM 298 CB THR A 19 4.325 -2.660 5.721 1.00 0.00 C ATOM 299 OG1 THR A 19 5.020 -2.371 6.926 1.00 0.00 O ATOM 300 CG2 THR A 19 3.755 -1.351 5.160 1.00 0.00 C ATOM 0 H THR A 19 4.281 -4.916 4.676 1.00 0.00 H new ATOM 0 HA THR A 19 3.209 -3.879 7.094 1.00 0.00 H new ATOM 0 HB THR A 19 4.993 -3.096 4.978 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.736 -1.727 6.744 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.570 -0.656 4.959 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.216 -1.556 4.235 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.073 -0.910 5.887 1.00 0.00 H new ATOM 308 N LEU A 20 1.461 -3.225 4.386 1.00 0.00 N ATOM 309 CA LEU A 20 0.140 -2.720 3.973 1.00 0.00 C ATOM 310 C LEU A 20 -0.911 -3.547 4.705 1.00 0.00 C ATOM 311 O LEU A 20 -1.681 -3.048 5.492 1.00 0.00 O ATOM 312 CB LEU A 20 -0.003 -2.892 2.458 1.00 0.00 C ATOM 313 CG LEU A 20 0.921 -1.905 1.737 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.769 -2.077 0.226 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.549 -0.470 2.127 1.00 0.00 C ATOM 0 H LEU A 20 2.025 -3.634 3.641 1.00 0.00 H new ATOM 0 HA LEU A 20 0.019 -1.664 4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.247 -3.914 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.037 -2.722 2.159 1.00 0.00 H new ATOM 0 HG LEU A 20 1.954 -2.101 2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.426 -1.375 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.037 -3.096 -0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.265 -1.883 -0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.208 0.229 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.484 -0.272 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.658 -0.346 3.204 1.00 0.00 H new ATOM 327 N LYS A 21 -0.910 -4.821 4.462 1.00 0.00 N ATOM 328 CA LYS A 21 -1.870 -5.738 5.138 1.00 0.00 C ATOM 329 C LYS A 21 -2.045 -5.314 6.593 1.00 0.00 C ATOM 330 O LYS A 21 -3.138 -5.296 7.113 1.00 0.00 O ATOM 331 CB LYS A 21 -1.321 -7.163 5.093 1.00 0.00 C ATOM 332 CG LYS A 21 -2.329 -8.121 5.731 1.00 0.00 C ATOM 333 CD LYS A 21 -1.652 -8.890 6.867 1.00 0.00 C ATOM 334 CE LYS A 21 -2.495 -10.115 7.228 1.00 0.00 C ATOM 335 NZ LYS A 21 -3.294 -9.825 8.452 1.00 0.00 N ATOM 0 H LYS A 21 -0.273 -5.279 3.810 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.833 -5.695 4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.127 -7.457 4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.370 -7.214 5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.184 -7.564 6.113 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.710 -8.816 4.983 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.652 -9.200 6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.536 -8.245 7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.157 -10.371 6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.850 -10.977 7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.594 -10.719 8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.714 -9.286 9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.133 -9.267 8.195 1.00 0.00 H new ATOM 349 N LYS A 22 -0.980 -4.962 7.259 1.00 0.00 N ATOM 350 CA LYS A 22 -1.113 -4.528 8.669 1.00 0.00 C ATOM 351 C LYS A 22 -1.930 -3.241 8.690 1.00 0.00 C ATOM 352 O LYS A 22 -2.969 -3.148 9.312 1.00 0.00 O ATOM 353 CB LYS A 22 0.271 -4.253 9.251 1.00 0.00 C ATOM 354 CG LYS A 22 0.476 -5.095 10.511 1.00 0.00 C ATOM 355 CD LYS A 22 0.563 -6.574 10.130 1.00 0.00 C ATOM 356 CE LYS A 22 1.820 -7.188 10.749 1.00 0.00 C ATOM 357 NZ LYS A 22 1.698 -7.178 12.234 1.00 0.00 N ATOM 0 H LYS A 22 -0.030 -4.957 6.887 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.601 -5.303 9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.039 -4.489 8.515 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.372 -3.194 9.489 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.388 -4.786 11.023 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.349 -4.936 11.206 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.323 -7.103 10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.590 -6.680 9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.953 -8.209 10.391 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.702 -6.625 10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.414 -7.810 12.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.846 -6.211 12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.749 -7.505 12.507 1.00 0.00 H new ATOM 371 N GLU A 23 -1.456 -2.255 7.988 1.00 0.00 N ATOM 372 CA GLU A 23 -2.161 -0.959 7.910 1.00 0.00 C ATOM 373 C GLU A 23 -3.617 -1.202 7.511 1.00 0.00 C ATOM 374 O GLU A 23 -4.529 -1.083 8.305 1.00 0.00 O ATOM 375 CB GLU A 23 -1.474 -0.117 6.835 1.00 0.00 C ATOM 376 CG GLU A 23 -0.010 0.119 7.220 1.00 0.00 C ATOM 377 CD GLU A 23 0.807 0.419 5.961 1.00 0.00 C ATOM 378 OE1 GLU A 23 0.254 0.307 4.880 1.00 0.00 O ATOM 379 OE2 GLU A 23 1.970 0.757 6.099 1.00 0.00 O ATOM 0 H GLU A 23 -0.588 -2.298 7.454 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.134 -0.447 8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.529 -0.624 5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.989 0.837 6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.063 0.951 7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.390 -0.760 7.725 1.00 0.00 H new ATOM 386 N LEU A 24 -3.823 -1.553 6.276 1.00 0.00 N ATOM 387 CA LEU A 24 -5.183 -1.828 5.763 1.00 0.00 C ATOM 388 C LEU A 24 -5.831 -2.948 6.576 1.00 0.00 C ATOM 389 O LEU A 24 -7.020 -3.181 6.490 1.00 0.00 O ATOM 390 CB LEU A 24 -5.038 -2.283 4.316 1.00 0.00 C ATOM 391 CG LEU A 24 -4.269 -1.230 3.524 1.00 0.00 C ATOM 392 CD1 LEU A 24 -3.005 -1.870 2.958 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.135 -0.712 2.376 1.00 0.00 C ATOM 0 H LEU A 24 -3.082 -1.663 5.584 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.806 -0.936 5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.514 -3.238 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.022 -2.440 3.873 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.007 -0.397 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.445 -1.128 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.388 -2.242 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.278 -2.698 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.582 0.040 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.397 -1.539 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.045 -0.267 2.779 1.00 0.00 H new ATOM 405 N ALA A 25 -5.060 -3.656 7.354 1.00 0.00 N ATOM 406 CA ALA A 25 -5.636 -4.766 8.151 1.00 0.00 C ATOM 407 C ALA A 25 -6.362 -5.732 7.213 1.00 0.00 C ATOM 408 O ALA A 25 -7.499 -6.100 7.436 1.00 0.00 O ATOM 409 CB ALA A 25 -6.610 -4.184 9.166 1.00 0.00 C ATOM 0 H ALA A 25 -4.057 -3.511 7.470 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.849 -5.307 8.676 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.042 -4.990 9.760 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.082 -3.493 9.822 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.405 -3.652 8.644 1.00 0.00 H new ATOM 415 N LEU A 26 -5.706 -6.145 6.160 1.00 0.00 N ATOM 416 CA LEU A 26 -6.341 -7.086 5.197 1.00 0.00 C ATOM 417 C LEU A 26 -6.505 -8.457 5.860 1.00 0.00 C ATOM 418 O LEU A 26 -5.862 -8.743 6.850 1.00 0.00 O ATOM 419 CB LEU A 26 -5.445 -7.215 3.963 1.00 0.00 C ATOM 420 CG LEU A 26 -5.055 -5.822 3.471 1.00 0.00 C ATOM 421 CD1 LEU A 26 -4.066 -5.944 2.320 1.00 0.00 C ATOM 422 CD2 LEU A 26 -6.306 -5.080 2.996 1.00 0.00 C ATOM 0 H LEU A 26 -4.753 -5.868 5.927 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.320 -6.710 4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.552 -7.790 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.968 -7.758 3.175 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.591 -5.267 4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.789 -4.949 1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.174 -6.470 2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.525 -6.500 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.028 -4.086 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.771 -5.636 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.011 -4.989 3.822 1.00 0.00 H new ATOM 434 N PRO A 27 -7.363 -9.266 5.293 1.00 0.00 N ATOM 435 CA PRO A 27 -7.628 -10.617 5.816 1.00 0.00 C ATOM 436 C PRO A 27 -6.342 -11.442 5.836 1.00 0.00 C ATOM 437 O PRO A 27 -5.264 -10.941 5.588 1.00 0.00 O ATOM 438 CB PRO A 27 -8.629 -11.228 4.832 1.00 0.00 C ATOM 439 CG PRO A 27 -9.008 -10.135 3.802 1.00 0.00 C ATOM 440 CD PRO A 27 -8.137 -8.905 4.089 1.00 0.00 C ATOM 0 HA PRO A 27 -8.009 -10.595 6.837 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.192 -12.091 4.330 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.516 -11.580 5.359 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.842 -10.493 2.786 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.065 -9.883 3.883 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.480 -8.680 3.249 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.748 -8.019 4.262 1.00 0.00 H new ATOM 448 N GLU A 28 -6.453 -12.710 6.118 1.00 0.00 N ATOM 449 CA GLU A 28 -5.246 -13.575 6.142 1.00 0.00 C ATOM 450 C GLU A 28 -4.937 -14.029 4.716 1.00 0.00 C ATOM 451 O GLU A 28 -3.842 -14.457 4.411 1.00 0.00 O ATOM 452 CB GLU A 28 -5.515 -14.798 7.017 1.00 0.00 C ATOM 453 CG GLU A 28 -5.799 -14.349 8.452 1.00 0.00 C ATOM 454 CD GLU A 28 -7.294 -14.492 8.750 1.00 0.00 C ATOM 455 OE1 GLU A 28 -8.000 -15.018 7.905 1.00 0.00 O ATOM 456 OE2 GLU A 28 -7.708 -14.071 9.818 1.00 0.00 O ATOM 0 H GLU A 28 -7.330 -13.184 6.333 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.400 -13.021 6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.364 -15.358 6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.655 -15.468 6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.219 -14.950 9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.489 -13.313 8.588 1.00 0.00 H new ATOM 463 N TYR A 29 -5.901 -13.938 3.839 1.00 0.00 N ATOM 464 CA TYR A 29 -5.668 -14.363 2.432 1.00 0.00 C ATOM 465 C TYR A 29 -5.278 -13.148 1.588 1.00 0.00 C ATOM 466 O TYR A 29 -5.300 -13.203 0.375 1.00 0.00 O ATOM 467 CB TYR A 29 -6.944 -14.993 1.865 1.00 0.00 C ATOM 468 CG TYR A 29 -7.997 -13.926 1.684 1.00 0.00 C ATOM 469 CD1 TYR A 29 -8.841 -13.593 2.748 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.126 -13.268 0.455 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.815 -12.601 2.586 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.101 -12.277 0.291 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.946 -11.943 1.357 1.00 0.00 C ATOM 474 OH TYR A 29 -10.906 -10.965 1.196 1.00 0.00 O ATOM 0 H TYR A 29 -6.838 -13.588 4.038 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.862 -15.096 2.406 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.731 -15.474 0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.309 -15.768 2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.741 -14.102 3.695 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.473 -13.525 -0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.465 -12.343 3.409 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.202 -11.770 -0.657 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.861 -10.609 0.284 1.00 0.00 H new ATOM 484 N TYR A 30 -4.921 -12.053 2.223 1.00 0.00 N ATOM 485 CA TYR A 30 -4.520 -10.827 1.457 1.00 0.00 C ATOM 486 C TYR A 30 -3.756 -11.244 0.198 1.00 0.00 C ATOM 487 O TYR A 30 -2.575 -11.526 0.243 1.00 0.00 O ATOM 488 CB TYR A 30 -3.619 -9.941 2.328 1.00 0.00 C ATOM 489 CG TYR A 30 -3.068 -8.797 1.499 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.795 -8.312 0.406 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.829 -8.223 1.824 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.286 -7.256 -0.362 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.319 -7.163 1.055 1.00 0.00 C ATOM 494 CZ TYR A 30 -2.050 -6.682 -0.038 1.00 0.00 C ATOM 495 OH TYR A 30 -1.551 -5.643 -0.796 1.00 0.00 O ATOM 0 H TYR A 30 -4.890 -11.956 3.238 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.413 -10.268 1.178 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.185 -9.550 3.173 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.800 -10.532 2.739 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.749 -8.752 0.154 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.266 -8.597 2.667 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.848 -6.884 -1.206 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.366 -6.721 1.306 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.644 -5.863 -1.095 1.00 0.00 H new ATOM 505 N GLY A 31 -4.436 -11.302 -0.919 1.00 0.00 N ATOM 506 CA GLY A 31 -3.777 -11.717 -2.194 1.00 0.00 C ATOM 507 C GLY A 31 -2.348 -11.178 -2.252 1.00 0.00 C ATOM 508 O GLY A 31 -1.447 -11.850 -2.706 1.00 0.00 O ATOM 0 H GLY A 31 -5.428 -11.078 -1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.766 -12.804 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.348 -11.345 -3.045 1.00 0.00 H new ATOM 512 N GLU A 32 -2.142 -9.969 -1.796 1.00 0.00 N ATOM 513 CA GLU A 32 -0.775 -9.364 -1.817 1.00 0.00 C ATOM 514 C GLU A 32 -0.500 -8.749 -3.197 1.00 0.00 C ATOM 515 O GLU A 32 0.369 -7.918 -3.351 1.00 0.00 O ATOM 516 CB GLU A 32 0.281 -10.437 -1.468 1.00 0.00 C ATOM 517 CG GLU A 32 0.940 -11.009 -2.733 1.00 0.00 C ATOM 518 CD GLU A 32 2.225 -10.236 -3.036 1.00 0.00 C ATOM 519 OE1 GLU A 32 3.198 -10.445 -2.331 1.00 0.00 O ATOM 520 OE2 GLU A 32 2.214 -9.451 -3.969 1.00 0.00 O ATOM 0 H GLU A 32 -2.869 -9.369 -1.406 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.716 -8.572 -1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.045 -10.002 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.190 -11.243 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.164 -12.066 -2.592 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.254 -10.938 -3.577 1.00 0.00 H new ATOM 527 N ASN A 33 -1.237 -9.145 -4.198 1.00 0.00 N ATOM 528 CA ASN A 33 -1.014 -8.569 -5.559 1.00 0.00 C ATOM 529 C ASN A 33 -1.728 -7.220 -5.662 1.00 0.00 C ATOM 530 O ASN A 33 -2.281 -6.724 -4.702 1.00 0.00 O ATOM 531 CB ASN A 33 -1.550 -9.506 -6.660 1.00 0.00 C ATOM 532 CG ASN A 33 -2.158 -10.776 -6.058 1.00 0.00 C ATOM 533 OD1 ASN A 33 -1.498 -11.791 -5.958 1.00 0.00 O ATOM 534 ND2 ASN A 33 -3.398 -10.762 -5.651 1.00 0.00 N ATOM 0 H ASN A 33 -1.982 -9.839 -4.136 1.00 0.00 H new ATOM 0 HA ASN A 33 0.059 -8.445 -5.703 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.303 -8.984 -7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.741 -9.774 -7.339 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.812 -11.603 -5.249 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.953 -9.910 -5.735 1.00 0.00 H new ATOM 541 N LEU A 34 -1.732 -6.633 -6.827 1.00 0.00 N ATOM 542 CA LEU A 34 -2.426 -5.326 -7.008 1.00 0.00 C ATOM 543 C LEU A 34 -3.923 -5.582 -7.084 1.00 0.00 C ATOM 544 O LEU A 34 -4.730 -4.817 -6.611 1.00 0.00 O ATOM 545 CB LEU A 34 -1.977 -4.702 -8.320 1.00 0.00 C ATOM 546 CG LEU A 34 -0.567 -4.143 -8.166 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.204 -3.344 -9.416 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.520 -3.229 -6.941 1.00 0.00 C ATOM 0 H LEU A 34 -1.283 -7.003 -7.665 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.191 -4.660 -6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.998 -5.448 -9.115 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.664 -3.907 -8.610 1.00 0.00 H new ATOM 0 HG LEU A 34 0.144 -4.959 -8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.804 -2.942 -9.311 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.246 -3.995 -10.289 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.911 -2.524 -9.541 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.486 -2.826 -6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.226 -2.409 -7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.787 -3.799 -6.051 1.00 0.00 H new ATOM 560 N ASP A 35 -4.280 -6.661 -7.695 1.00 0.00 N ATOM 561 CA ASP A 35 -5.712 -7.026 -7.836 1.00 0.00 C ATOM 562 C ASP A 35 -6.319 -7.263 -6.455 1.00 0.00 C ATOM 563 O ASP A 35 -7.469 -6.961 -6.207 1.00 0.00 O ATOM 564 CB ASP A 35 -5.796 -8.324 -8.622 1.00 0.00 C ATOM 565 CG ASP A 35 -5.523 -8.052 -10.102 1.00 0.00 C ATOM 566 OD1 ASP A 35 -4.363 -7.920 -10.456 1.00 0.00 O ATOM 567 OD2 ASP A 35 -6.479 -7.982 -10.857 1.00 0.00 O ATOM 0 H ASP A 35 -3.629 -7.325 -8.114 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.250 -6.224 -8.342 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.072 -9.042 -8.235 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.783 -8.770 -8.501 1.00 0.00 H new ATOM 572 N ALA A 36 -5.550 -7.810 -5.557 1.00 0.00 N ATOM 573 CA ALA A 36 -6.078 -8.079 -4.190 1.00 0.00 C ATOM 574 C ALA A 36 -6.028 -6.793 -3.389 1.00 0.00 C ATOM 575 O ALA A 36 -7.019 -6.330 -2.864 1.00 0.00 O ATOM 576 CB ALA A 36 -5.218 -9.128 -3.495 1.00 0.00 C ATOM 0 H ALA A 36 -4.579 -8.083 -5.709 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.102 -8.446 -4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.612 -9.318 -2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.233 -10.052 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.193 -8.765 -3.418 1.00 0.00 H new ATOM 582 N LEU A 37 -4.873 -6.208 -3.314 1.00 0.00 N ATOM 583 CA LEU A 37 -4.727 -4.932 -2.573 1.00 0.00 C ATOM 584 C LEU A 37 -5.891 -4.032 -2.971 1.00 0.00 C ATOM 585 O LEU A 37 -6.628 -3.511 -2.153 1.00 0.00 O ATOM 586 CB LEU A 37 -3.406 -4.282 -2.990 1.00 0.00 C ATOM 587 CG LEU A 37 -3.447 -2.781 -2.692 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.527 -2.559 -1.181 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.182 -2.115 -3.240 1.00 0.00 C ATOM 0 H LEU A 37 -4.015 -6.562 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.728 -5.093 -1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.578 -4.745 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.230 -4.446 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.324 -2.343 -3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.556 -1.490 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.430 -3.030 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.652 -2.999 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.212 -1.046 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.305 -2.555 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.127 -2.269 -4.318 1.00 0.00 H new ATOM 601 N TRP A 38 -6.052 -3.866 -4.242 1.00 0.00 N ATOM 602 CA TRP A 38 -7.146 -3.033 -4.760 1.00 0.00 C ATOM 603 C TRP A 38 -8.461 -3.592 -4.268 1.00 0.00 C ATOM 604 O TRP A 38 -9.241 -2.922 -3.625 1.00 0.00 O ATOM 605 CB TRP A 38 -7.143 -3.088 -6.283 1.00 0.00 C ATOM 606 CG TRP A 38 -8.261 -2.251 -6.778 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.527 -2.669 -6.914 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.238 -0.863 -7.170 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.297 -1.618 -7.384 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.538 -0.476 -7.555 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.218 0.084 -7.228 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -9.812 0.821 -7.985 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.476 1.382 -7.650 1.00 0.00 C ATOM 614 CH2 TRP A 38 -8.774 1.761 -8.030 1.00 0.00 C ATOM 0 H TRP A 38 -5.456 -4.283 -4.957 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.015 -2.005 -4.421 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.193 -2.724 -6.675 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.257 -4.116 -6.627 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.888 -3.663 -6.693 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.296 -1.679 -7.579 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.215 -0.194 -6.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -10.813 1.098 -8.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.674 2.104 -7.686 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -8.971 2.772 -8.355 1.00 0.00 H new ATOM 625 N ASP A 39 -8.703 -4.828 -4.568 1.00 0.00 N ATOM 626 CA ASP A 39 -9.964 -5.465 -4.126 1.00 0.00 C ATOM 627 C ASP A 39 -10.220 -5.079 -2.672 1.00 0.00 C ATOM 628 O ASP A 39 -11.345 -5.046 -2.215 1.00 0.00 O ATOM 629 CB ASP A 39 -9.840 -6.984 -4.243 1.00 0.00 C ATOM 630 CG ASP A 39 -10.701 -7.479 -5.407 1.00 0.00 C ATOM 631 OD1 ASP A 39 -11.898 -7.620 -5.214 1.00 0.00 O ATOM 632 OD2 ASP A 39 -10.150 -7.710 -6.470 1.00 0.00 O ATOM 0 H ASP A 39 -8.078 -5.430 -5.104 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.792 -5.129 -4.751 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.799 -7.263 -4.403 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.158 -7.458 -3.314 1.00 0.00 H new ATOM 637 N CYS A 40 -9.178 -4.779 -1.940 1.00 0.00 N ATOM 638 CA CYS A 40 -9.362 -4.388 -0.522 1.00 0.00 C ATOM 639 C CYS A 40 -9.762 -2.910 -0.438 1.00 0.00 C ATOM 640 O CYS A 40 -10.705 -2.555 0.237 1.00 0.00 O ATOM 641 CB CYS A 40 -8.056 -4.611 0.240 1.00 0.00 C ATOM 642 SG CYS A 40 -7.731 -6.387 0.375 1.00 0.00 S ATOM 0 H CYS A 40 -8.212 -4.790 -2.267 1.00 0.00 H new ATOM 0 HA CYS A 40 -10.150 -4.997 -0.079 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.232 -4.118 -0.277 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.121 -4.166 1.233 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.340 -6.845 -0.777 1.00 0.00 H new ATOM 648 N LEU A 41 -9.049 -2.041 -1.109 1.00 0.00 N ATOM 649 CA LEU A 41 -9.386 -0.599 -1.044 1.00 0.00 C ATOM 650 C LEU A 41 -10.814 -0.355 -1.544 1.00 0.00 C ATOM 651 O LEU A 41 -11.604 0.308 -0.901 1.00 0.00 O ATOM 652 CB LEU A 41 -8.414 0.179 -1.928 1.00 0.00 C ATOM 653 CG LEU A 41 -6.979 -0.297 -1.689 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.033 0.550 -2.527 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.621 -0.150 -0.209 1.00 0.00 C ATOM 0 H LEU A 41 -8.249 -2.274 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.312 -0.267 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.679 0.045 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.491 1.245 -1.714 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.890 -1.346 -1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.007 0.219 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.286 0.442 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.127 1.596 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.598 -0.491 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.706 0.897 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.303 -0.751 0.392 1.00 0.00 H new ATOM 667 N THR A 42 -11.136 -0.856 -2.702 1.00 0.00 N ATOM 668 CA THR A 42 -12.487 -0.630 -3.273 1.00 0.00 C ATOM 669 C THR A 42 -13.559 -1.391 -2.487 1.00 0.00 C ATOM 670 O THR A 42 -14.737 -1.238 -2.743 1.00 0.00 O ATOM 671 CB THR A 42 -12.498 -1.095 -4.731 1.00 0.00 C ATOM 672 OG1 THR A 42 -11.951 -2.403 -4.814 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.661 -0.133 -5.578 1.00 0.00 C ATOM 0 H THR A 42 -10.513 -1.418 -3.282 1.00 0.00 H new ATOM 0 HA THR A 42 -12.714 0.434 -3.212 1.00 0.00 H new ATOM 0 HB THR A 42 -13.522 -1.107 -5.103 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.255 -2.423 -5.503 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.668 -0.463 -6.617 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.083 0.870 -5.513 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.636 -0.120 -5.208 1.00 0.00 H new ATOM 681 N GLY A 43 -13.187 -2.209 -1.538 1.00 0.00 N ATOM 682 CA GLY A 43 -14.240 -2.950 -0.779 1.00 0.00 C ATOM 683 C GLY A 43 -13.643 -3.706 0.413 1.00 0.00 C ATOM 684 O GLY A 43 -13.651 -4.920 0.449 1.00 0.00 O ATOM 0 H GLY A 43 -12.224 -2.395 -1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.997 -2.250 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.742 -3.653 -1.443 1.00 0.00 H new ATOM 688 N TRP A 44 -13.148 -3.004 1.397 1.00 0.00 N ATOM 689 CA TRP A 44 -12.577 -3.691 2.588 1.00 0.00 C ATOM 690 C TRP A 44 -11.982 -2.657 3.544 1.00 0.00 C ATOM 691 O TRP A 44 -12.447 -2.474 4.652 1.00 0.00 O ATOM 692 CB TRP A 44 -11.481 -4.656 2.146 1.00 0.00 C ATOM 693 CG TRP A 44 -10.923 -5.347 3.346 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.841 -4.933 4.041 1.00 0.00 C ATOM 695 CD2 TRP A 44 -11.399 -6.555 4.006 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.617 -5.813 5.085 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.553 -6.829 5.106 1.00 0.00 C ATOM 698 CE3 TRP A 44 -12.472 -7.431 3.760 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.763 -7.934 5.933 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.687 -8.543 4.590 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.834 -8.794 5.674 1.00 0.00 C ATOM 0 H TRP A 44 -13.115 -1.985 1.426 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.368 -4.243 3.095 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.884 -5.387 1.445 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.692 -4.115 1.623 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.248 -4.058 3.818 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.855 -5.723 5.757 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -13.135 -7.247 2.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -10.103 -8.123 6.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -13.514 -9.209 4.392 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -12.004 -9.651 6.308 1.00 0.00 H new ATOM 712 N VAL A 45 -10.948 -1.988 3.123 1.00 0.00 N ATOM 713 CA VAL A 45 -10.302 -0.972 3.992 1.00 0.00 C ATOM 714 C VAL A 45 -11.306 0.126 4.341 1.00 0.00 C ATOM 715 O VAL A 45 -12.219 0.407 3.591 1.00 0.00 O ATOM 716 CB VAL A 45 -9.114 -0.356 3.251 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.316 0.527 4.212 1.00 0.00 C ATOM 718 CG2 VAL A 45 -8.211 -1.470 2.716 1.00 0.00 C ATOM 0 H VAL A 45 -10.519 -2.104 2.205 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.958 -1.449 4.910 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.479 0.247 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.469 0.966 3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.957 1.321 4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.952 -0.077 5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.365 -1.030 2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.846 -2.074 3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.778 -2.101 2.031 1.00 0.00 H new ATOM 728 N GLU A 46 -11.139 0.757 5.471 1.00 0.00 N ATOM 729 CA GLU A 46 -12.081 1.843 5.858 1.00 0.00 C ATOM 730 C GLU A 46 -11.445 3.197 5.542 1.00 0.00 C ATOM 731 O GLU A 46 -10.309 3.459 5.883 1.00 0.00 O ATOM 732 CB GLU A 46 -12.387 1.758 7.353 1.00 0.00 C ATOM 733 CG GLU A 46 -11.082 1.796 8.149 1.00 0.00 C ATOM 734 CD GLU A 46 -11.226 2.772 9.318 1.00 0.00 C ATOM 735 OE1 GLU A 46 -11.432 3.947 9.062 1.00 0.00 O ATOM 736 OE2 GLU A 46 -11.129 2.328 10.451 1.00 0.00 O ATOM 0 H GLU A 46 -10.393 0.568 6.141 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.010 1.733 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.030 2.587 7.650 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.931 0.839 7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.841 0.800 8.520 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.259 2.103 7.504 1.00 0.00 H new ATOM 743 N TYR A 47 -12.172 4.055 4.886 1.00 0.00 N ATOM 744 CA TYR A 47 -11.626 5.395 4.530 1.00 0.00 C ATOM 745 C TYR A 47 -12.427 6.469 5.280 1.00 0.00 C ATOM 746 O TYR A 47 -13.454 6.162 5.852 1.00 0.00 O ATOM 747 CB TYR A 47 -11.753 5.574 3.011 1.00 0.00 C ATOM 748 CG TYR A 47 -10.794 4.637 2.298 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.754 4.007 3.000 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.947 4.393 0.929 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.881 3.143 2.333 1.00 0.00 C ATOM 752 CE2 TYR A 47 -10.071 3.530 0.269 1.00 0.00 C ATOM 753 CZ TYR A 47 -9.039 2.906 0.969 1.00 0.00 C ATOM 754 OH TYR A 47 -8.176 2.052 0.315 1.00 0.00 O ATOM 0 H TYR A 47 -13.129 3.885 4.578 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.577 5.485 4.813 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.776 5.369 2.696 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.536 6.607 2.738 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.628 4.190 4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.745 4.873 0.382 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.083 2.658 2.876 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.193 3.345 -0.788 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.279 2.446 0.295 1.00 0.00 H new ATOM 764 N PRO A 48 -11.946 7.697 5.282 1.00 0.00 N ATOM 765 CA PRO A 48 -10.698 8.112 4.596 1.00 0.00 C ATOM 766 C PRO A 48 -9.469 7.388 5.149 1.00 0.00 C ATOM 767 O PRO A 48 -9.267 7.298 6.344 1.00 0.00 O ATOM 768 CB PRO A 48 -10.582 9.618 4.872 1.00 0.00 C ATOM 769 CG PRO A 48 -11.787 10.034 5.749 1.00 0.00 C ATOM 770 CD PRO A 48 -12.643 8.783 5.993 1.00 0.00 C ATOM 0 HA PRO A 48 -10.738 7.871 3.534 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.644 9.842 5.381 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.579 10.178 3.937 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.444 10.453 6.695 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.373 10.807 5.252 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.729 8.566 7.058 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.655 8.918 5.612 1.00 0.00 H new ATOM 778 N LEU A 49 -8.639 6.886 4.275 1.00 0.00 N ATOM 779 CA LEU A 49 -7.408 6.179 4.721 1.00 0.00 C ATOM 780 C LEU A 49 -6.205 7.069 4.433 1.00 0.00 C ATOM 781 O LEU A 49 -6.222 7.877 3.531 1.00 0.00 O ATOM 782 CB LEU A 49 -7.263 4.865 3.929 1.00 0.00 C ATOM 783 CG LEU A 49 -5.785 4.454 3.806 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.261 3.980 5.163 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.648 3.326 2.780 1.00 0.00 C ATOM 0 H LEU A 49 -8.764 6.937 3.264 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.468 5.959 5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.824 4.073 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.694 4.986 2.935 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.202 5.315 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.214 3.691 5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.350 4.788 5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.845 3.123 5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.600 3.037 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.236 2.467 3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.009 3.670 1.811 1.00 0.00 H new ATOM 797 N VAL A 50 -5.144 6.892 5.158 1.00 0.00 N ATOM 798 CA VAL A 50 -3.928 7.693 4.878 1.00 0.00 C ATOM 799 C VAL A 50 -2.835 6.722 4.424 1.00 0.00 C ATOM 800 O VAL A 50 -2.679 5.656 4.973 1.00 0.00 O ATOM 801 CB VAL A 50 -3.499 8.468 6.150 1.00 0.00 C ATOM 802 CG1 VAL A 50 -2.075 8.093 6.589 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.538 9.968 5.863 1.00 0.00 C ATOM 0 H VAL A 50 -5.065 6.230 5.930 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.115 8.431 4.098 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.190 8.205 6.950 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.810 8.656 7.484 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.030 7.026 6.806 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.373 8.330 5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.237 10.517 6.755 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.855 10.200 5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.550 10.259 5.583 1.00 0.00 H new ATOM 813 N LEU A 51 -2.062 7.080 3.448 1.00 0.00 N ATOM 814 CA LEU A 51 -0.974 6.170 3.021 1.00 0.00 C ATOM 815 C LEU A 51 0.330 6.939 3.137 1.00 0.00 C ATOM 816 O LEU A 51 0.831 7.492 2.177 1.00 0.00 O ATOM 817 CB LEU A 51 -1.173 5.688 1.580 1.00 0.00 C ATOM 818 CG LEU A 51 -0.044 4.714 1.227 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.194 3.443 2.056 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.114 4.331 -0.247 1.00 0.00 C ATOM 0 H LEU A 51 -2.134 7.956 2.930 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.968 5.283 3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.141 5.198 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.169 6.535 0.894 1.00 0.00 H new ATOM 0 HG LEU A 51 0.909 5.200 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.608 2.749 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.142 3.692 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.156 2.979 1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.695 3.639 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.072 3.854 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.015 5.226 -0.861 1.00 0.00 H new ATOM 832 N GLU A 52 0.872 6.990 4.318 1.00 0.00 N ATOM 833 CA GLU A 52 2.136 7.732 4.526 1.00 0.00 C ATOM 834 C GLU A 52 3.286 6.871 4.019 1.00 0.00 C ATOM 835 O GLU A 52 3.972 6.207 4.772 1.00 0.00 O ATOM 836 CB GLU A 52 2.304 8.029 6.017 1.00 0.00 C ATOM 837 CG GLU A 52 3.727 8.523 6.286 1.00 0.00 C ATOM 838 CD GLU A 52 3.754 9.313 7.595 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.688 9.665 8.074 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.840 9.553 8.097 1.00 0.00 O ATOM 0 H GLU A 52 0.489 6.546 5.152 1.00 0.00 H new ATOM 0 HA GLU A 52 2.124 8.677 3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.581 8.782 6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.104 7.131 6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.412 7.677 6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.067 9.151 5.463 1.00 0.00 H new ATOM 847 N TRP A 53 3.487 6.877 2.732 1.00 0.00 N ATOM 848 CA TRP A 53 4.574 6.065 2.139 1.00 0.00 C ATOM 849 C TRP A 53 5.919 6.697 2.500 1.00 0.00 C ATOM 850 O TRP A 53 6.316 7.699 1.939 1.00 0.00 O ATOM 851 CB TRP A 53 4.399 6.037 0.622 1.00 0.00 C ATOM 852 CG TRP A 53 5.029 4.802 0.077 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.341 4.499 0.186 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.410 3.701 -0.654 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.573 3.288 -0.434 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.416 2.758 -0.967 1.00 0.00 C ATOM 857 CE3 TRP A 53 3.090 3.429 -1.076 1.00 0.00 C ATOM 858 CZ2 TRP A 53 5.133 1.592 -1.670 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.803 2.248 -1.788 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.824 1.335 -2.084 1.00 0.00 C ATOM 0 H TRP A 53 2.937 7.416 2.063 1.00 0.00 H new ATOM 0 HA TRP A 53 4.541 5.046 2.524 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.340 6.062 0.366 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.856 6.920 0.175 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.087 5.106 0.678 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.487 2.840 -0.491 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.298 4.129 -0.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.921 0.889 -1.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.791 2.045 -2.107 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.599 0.432 -2.632 1.00 0.00 H new ATOM 871 N ARG A 54 6.617 6.130 3.445 1.00 0.00 N ATOM 872 CA ARG A 54 7.927 6.710 3.853 1.00 0.00 C ATOM 873 C ARG A 54 9.052 6.106 3.011 1.00 0.00 C ATOM 874 O ARG A 54 9.033 4.939 2.673 1.00 0.00 O ATOM 875 CB ARG A 54 8.179 6.405 5.331 1.00 0.00 C ATOM 876 CG ARG A 54 8.335 7.715 6.105 1.00 0.00 C ATOM 877 CD ARG A 54 9.589 7.646 6.979 1.00 0.00 C ATOM 878 NE ARG A 54 10.758 7.261 6.139 1.00 0.00 N ATOM 879 CZ ARG A 54 11.970 7.425 6.594 1.00 0.00 C ATOM 880 NH1 ARG A 54 12.441 6.615 7.504 1.00 0.00 N ATOM 881 NH2 ARG A 54 12.712 8.397 6.140 1.00 0.00 N ATOM 0 H ARG A 54 6.337 5.290 3.952 1.00 0.00 H new ATOM 0 HA ARG A 54 7.904 7.789 3.698 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.351 5.826 5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.077 5.797 5.439 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.408 8.553 5.412 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.456 7.890 6.725 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.769 8.611 7.452 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.448 6.920 7.780 1.00 0.00 H new ATOM 0 HE ARG A 54 10.611 6.869 5.209 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.861 5.854 7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.388 6.743 7.860 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.345 9.029 5.429 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.659 8.525 6.496 1.00 0.00 H new ATOM 895 N GLN A 55 10.036 6.896 2.677 1.00 0.00 N ATOM 896 CA GLN A 55 11.171 6.378 1.864 1.00 0.00 C ATOM 897 C GLN A 55 10.650 5.830 0.533 1.00 0.00 C ATOM 898 O GLN A 55 11.105 4.811 0.053 1.00 0.00 O ATOM 899 CB GLN A 55 11.880 5.262 2.633 1.00 0.00 C ATOM 900 CG GLN A 55 12.648 5.863 3.811 1.00 0.00 C ATOM 901 CD GLN A 55 14.104 6.099 3.405 1.00 0.00 C ATOM 902 OE1 GLN A 55 14.985 5.364 3.806 1.00 0.00 O ATOM 903 NE2 GLN A 55 14.397 7.100 2.622 1.00 0.00 N ATOM 0 H GLN A 55 10.102 7.881 2.934 1.00 0.00 H new ATOM 0 HA GLN A 55 11.872 7.189 1.667 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.152 4.535 2.993 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.564 4.729 1.973 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.188 6.803 4.117 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.603 5.192 4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.658 7.717 2.285 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.365 7.266 2.347 1.00 0.00 H new ATOM 912 N PHE A 56 9.707 6.499 -0.074 1.00 0.00 N ATOM 913 CA PHE A 56 9.177 6.010 -1.378 1.00 0.00 C ATOM 914 C PHE A 56 10.352 5.736 -2.316 1.00 0.00 C ATOM 915 O PHE A 56 11.422 6.287 -2.152 1.00 0.00 O ATOM 916 CB PHE A 56 8.272 7.073 -1.996 1.00 0.00 C ATOM 917 CG PHE A 56 7.540 6.483 -3.178 1.00 0.00 C ATOM 918 CD1 PHE A 56 6.438 5.644 -2.974 1.00 0.00 C ATOM 919 CD2 PHE A 56 7.967 6.775 -4.479 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.763 5.097 -4.073 1.00 0.00 C ATOM 921 CE2 PHE A 56 7.292 6.229 -5.577 1.00 0.00 C ATOM 922 CZ PHE A 56 6.190 5.390 -5.374 1.00 0.00 C ATOM 0 H PHE A 56 9.283 7.359 0.275 1.00 0.00 H new ATOM 0 HA PHE A 56 8.602 5.097 -1.223 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.558 7.434 -1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.864 7.931 -2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.109 5.419 -1.970 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.818 7.422 -4.635 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.913 4.449 -3.917 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.621 6.455 -6.580 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.669 4.969 -6.221 1.00 0.00 H new ATOM 932 N GLU A 57 10.167 4.878 -3.285 1.00 0.00 N ATOM 933 CA GLU A 57 11.277 4.550 -4.231 1.00 0.00 C ATOM 934 C GLU A 57 12.210 3.520 -3.587 1.00 0.00 C ATOM 935 O GLU A 57 12.733 2.647 -4.251 1.00 0.00 O ATOM 936 CB GLU A 57 12.071 5.810 -4.572 1.00 0.00 C ATOM 937 CG GLU A 57 12.222 5.924 -6.090 1.00 0.00 C ATOM 938 CD GLU A 57 12.276 7.400 -6.489 1.00 0.00 C ATOM 939 OE1 GLU A 57 13.092 8.115 -5.930 1.00 0.00 O ATOM 940 OE2 GLU A 57 11.501 7.790 -7.347 1.00 0.00 O ATOM 0 H GLU A 57 9.291 4.387 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 57 10.851 4.140 -5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.562 6.690 -4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.053 5.773 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.130 5.415 -6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.386 5.432 -6.587 1.00 0.00 H new ATOM 947 N GLN A 58 12.422 3.606 -2.300 1.00 0.00 N ATOM 948 CA GLN A 58 13.301 2.627 -1.626 1.00 0.00 C ATOM 949 C GLN A 58 12.614 1.265 -1.666 1.00 0.00 C ATOM 950 O GLN A 58 13.250 0.230 -1.642 1.00 0.00 O ATOM 951 CB GLN A 58 13.524 3.054 -0.175 1.00 0.00 C ATOM 952 CG GLN A 58 14.237 4.407 -0.146 1.00 0.00 C ATOM 953 CD GLN A 58 15.483 4.311 0.737 1.00 0.00 C ATOM 954 OE1 GLN A 58 15.434 3.760 1.819 1.00 0.00 O ATOM 955 NE2 GLN A 58 16.605 4.828 0.319 1.00 0.00 N ATOM 0 H GLN A 58 12.019 4.318 -1.691 1.00 0.00 H new ATOM 0 HA GLN A 58 14.267 2.574 -2.128 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.569 3.123 0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.119 2.306 0.348 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.517 4.704 -1.157 1.00 0.00 H new ATOM 0 HG3 GLN A 58 13.565 5.175 0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.646 5.291 -0.589 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.441 4.770 0.900 1.00 0.00 H new ATOM 964 N SER A 59 11.309 1.268 -1.746 1.00 0.00 N ATOM 965 CA SER A 59 10.554 -0.013 -1.812 1.00 0.00 C ATOM 966 C SER A 59 10.176 -0.286 -3.270 1.00 0.00 C ATOM 967 O SER A 59 9.451 -1.213 -3.572 1.00 0.00 O ATOM 968 CB SER A 59 9.288 0.091 -0.961 1.00 0.00 C ATOM 969 OG SER A 59 9.072 1.450 -0.606 1.00 0.00 O ATOM 0 H SER A 59 10.733 2.109 -1.768 1.00 0.00 H new ATOM 0 HA SER A 59 11.170 -0.827 -1.430 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.431 -0.293 -1.515 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.388 -0.520 -0.064 1.00 0.00 H new ATOM 0 HG SER A 59 8.762 1.500 0.322 1.00 0.00 H new ATOM 975 N LYS A 60 10.685 0.504 -4.178 1.00 0.00 N ATOM 976 CA LYS A 60 10.384 0.282 -5.618 1.00 0.00 C ATOM 977 C LYS A 60 11.607 -0.362 -6.281 1.00 0.00 C ATOM 978 O LYS A 60 11.486 -1.217 -7.135 1.00 0.00 O ATOM 979 CB LYS A 60 10.082 1.623 -6.291 1.00 0.00 C ATOM 980 CG LYS A 60 9.784 1.395 -7.774 1.00 0.00 C ATOM 981 CD LYS A 60 10.357 2.553 -8.594 1.00 0.00 C ATOM 982 CE LYS A 60 10.976 2.010 -9.883 1.00 0.00 C ATOM 983 NZ LYS A 60 12.299 2.658 -10.110 1.00 0.00 N ATOM 0 H LYS A 60 11.298 1.295 -3.981 1.00 0.00 H new ATOM 0 HA LYS A 60 9.518 -0.371 -5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.230 2.101 -5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.931 2.297 -6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.220 0.452 -8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.708 1.321 -7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.570 3.269 -8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.110 3.086 -8.013 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.096 0.929 -9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.314 2.204 -10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.720 2.289 -10.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.172 3.687 -10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.929 2.451 -9.309 1.00 0.00 H new ATOM 1083 N ALA A 67 6.738 -1.199 -5.442 1.00 0.00 N ATOM 1084 CA ALA A 67 5.913 -0.163 -4.780 1.00 0.00 C ATOM 1085 C ALA A 67 5.111 0.629 -5.815 1.00 0.00 C ATOM 1086 O ALA A 67 3.907 0.740 -5.723 1.00 0.00 O ATOM 1087 CB ALA A 67 6.831 0.783 -4.012 1.00 0.00 C ATOM 0 HA ALA A 67 5.214 -0.645 -4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.233 1.551 -3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.388 0.221 -3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.529 1.254 -4.704 1.00 0.00 H new ATOM 1093 N GLU A 68 5.776 1.193 -6.787 1.00 0.00 N ATOM 1094 CA GLU A 68 5.072 1.996 -7.828 1.00 0.00 C ATOM 1095 C GLU A 68 3.717 1.369 -8.175 1.00 0.00 C ATOM 1096 O GLU A 68 2.795 2.051 -8.578 1.00 0.00 O ATOM 1097 CB GLU A 68 5.939 2.041 -9.085 1.00 0.00 C ATOM 1098 CG GLU A 68 6.307 3.490 -9.387 1.00 0.00 C ATOM 1099 CD GLU A 68 7.060 3.562 -10.717 1.00 0.00 C ATOM 1100 OE1 GLU A 68 6.412 3.482 -11.747 1.00 0.00 O ATOM 1101 OE2 GLU A 68 8.272 3.697 -10.682 1.00 0.00 O ATOM 0 H GLU A 68 6.787 1.131 -6.905 1.00 0.00 H new ATOM 0 HA GLU A 68 4.902 3.002 -7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.841 1.446 -8.941 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.402 1.606 -9.928 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.406 4.102 -9.434 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.925 3.893 -8.585 1.00 0.00 H new ATOM 1108 N SER A 69 3.591 0.080 -8.040 1.00 0.00 N ATOM 1109 CA SER A 69 2.300 -0.584 -8.383 1.00 0.00 C ATOM 1110 C SER A 69 1.286 -0.427 -7.241 1.00 0.00 C ATOM 1111 O SER A 69 0.197 0.079 -7.434 1.00 0.00 O ATOM 1112 CB SER A 69 2.548 -2.070 -8.635 1.00 0.00 C ATOM 1113 OG SER A 69 2.167 -2.391 -9.967 1.00 0.00 O ATOM 0 H SER A 69 4.325 -0.545 -7.707 1.00 0.00 H new ATOM 0 HA SER A 69 1.893 -0.113 -9.278 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.601 -2.306 -8.479 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.978 -2.671 -7.927 1.00 0.00 H new ATOM 0 HG SER A 69 2.281 -3.353 -10.117 1.00 0.00 H new ATOM 1119 N VAL A 70 1.622 -0.866 -6.056 1.00 0.00 N ATOM 1120 CA VAL A 70 0.666 -0.751 -4.922 1.00 0.00 C ATOM 1121 C VAL A 70 0.237 0.700 -4.794 1.00 0.00 C ATOM 1122 O VAL A 70 -0.936 1.017 -4.737 1.00 0.00 O ATOM 1123 CB VAL A 70 1.350 -1.198 -3.630 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.446 -0.880 -2.439 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.607 -2.705 -3.686 1.00 0.00 C ATOM 0 H VAL A 70 2.517 -1.298 -5.827 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.204 -1.382 -5.102 1.00 0.00 H new ATOM 0 HB VAL A 70 2.297 -0.671 -3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.933 -1.198 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.261 0.193 -2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.501 -1.408 -2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.095 -3.025 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.659 -3.232 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.250 -2.933 -4.536 1.00 0.00 H new ATOM 1135 N LEU A 71 1.182 1.588 -4.767 1.00 0.00 N ATOM 1136 CA LEU A 71 0.834 3.025 -4.663 1.00 0.00 C ATOM 1137 C LEU A 71 -0.099 3.375 -5.815 1.00 0.00 C ATOM 1138 O LEU A 71 -1.079 4.058 -5.642 1.00 0.00 O ATOM 1139 CB LEU A 71 2.094 3.872 -4.767 1.00 0.00 C ATOM 1140 CG LEU A 71 1.704 5.348 -4.810 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.149 5.769 -3.448 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.935 6.193 -5.142 1.00 0.00 C ATOM 0 H LEU A 71 2.180 1.382 -4.812 1.00 0.00 H new ATOM 0 HA LEU A 71 0.352 3.221 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.747 3.681 -3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.653 3.605 -5.664 1.00 0.00 H new ATOM 0 HG LEU A 71 0.943 5.499 -5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.871 6.822 -3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.271 5.168 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.910 5.617 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.656 7.246 -5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.697 6.042 -4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.330 5.894 -6.113 1.00 0.00 H new ATOM 1154 N GLN A 72 0.200 2.902 -6.993 1.00 0.00 N ATOM 1155 CA GLN A 72 -0.677 3.199 -8.158 1.00 0.00 C ATOM 1156 C GLN A 72 -2.093 2.734 -7.833 1.00 0.00 C ATOM 1157 O GLN A 72 -3.064 3.333 -8.243 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.164 2.449 -9.386 1.00 0.00 C ATOM 1159 CG GLN A 72 0.198 3.446 -10.488 1.00 0.00 C ATOM 1160 CD GLN A 72 0.504 2.689 -11.784 1.00 0.00 C ATOM 1161 OE1 GLN A 72 0.584 3.283 -12.841 1.00 0.00 O ATOM 1162 NE2 GLN A 72 0.679 1.394 -11.751 1.00 0.00 N ATOM 0 H GLN A 72 1.014 2.323 -7.198 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.674 4.269 -8.365 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.709 1.853 -9.121 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.925 1.757 -9.745 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.625 4.142 -10.647 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.063 4.038 -10.188 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.612 0.893 -10.865 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.882 0.885 -12.611 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.212 1.669 -7.093 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.556 1.161 -6.723 1.00 0.00 C ATOM 1173 C VAL A 73 -4.142 2.069 -5.637 1.00 0.00 C ATOM 1174 O VAL A 73 -5.338 2.218 -5.521 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.427 -0.270 -6.187 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.688 -0.668 -5.408 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.206 -1.244 -7.354 1.00 0.00 C ATOM 0 H VAL A 73 -1.429 1.127 -6.727 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.211 1.159 -7.595 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.572 -0.315 -5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.579 -1.686 -5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.827 0.013 -4.568 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.555 -0.614 -6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.115 -2.259 -6.968 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.053 -1.190 -8.038 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.293 -0.974 -7.885 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.309 2.666 -4.832 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.832 3.556 -3.751 1.00 0.00 C ATOM 1189 C PHE A 74 -4.347 4.871 -4.357 1.00 0.00 C ATOM 1190 O PHE A 74 -5.370 5.393 -3.961 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.711 3.854 -2.754 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.729 2.820 -1.658 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.700 2.883 -0.654 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.772 1.800 -1.647 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.714 1.924 0.364 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.786 0.841 -0.629 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.757 0.904 0.376 1.00 0.00 C ATOM 0 H PHE A 74 -2.294 2.579 -4.873 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.654 3.056 -3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.746 3.846 -3.261 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.840 4.850 -2.331 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.438 3.671 -0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.023 1.753 -2.424 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.463 1.971 1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.048 0.053 -0.619 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.768 0.164 1.162 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.645 5.399 -5.318 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.067 6.666 -5.969 1.00 0.00 C ATOM 1209 C ARG A 75 -5.216 6.368 -6.917 1.00 0.00 C ATOM 1210 O ARG A 75 -6.154 7.123 -7.033 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.904 7.223 -6.779 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.114 8.229 -5.942 1.00 0.00 C ATOM 1213 CD ARG A 75 -2.817 9.588 -5.986 1.00 0.00 C ATOM 1214 NE ARG A 75 -1.863 10.633 -6.461 1.00 0.00 N ATOM 1215 CZ ARG A 75 -0.611 10.594 -6.093 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -0.305 10.579 -4.825 1.00 0.00 N ATOM 1217 NH2 ARG A 75 0.334 10.572 -6.993 1.00 0.00 N ATOM 0 H ARG A 75 -2.782 4.998 -5.685 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.375 7.387 -5.212 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.251 6.411 -7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.278 7.704 -7.683 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.036 7.880 -4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.098 8.320 -6.326 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.680 9.541 -6.650 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.191 9.847 -4.996 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.190 11.379 -7.075 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.044 10.598 -4.122 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.673 10.549 -4.537 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.094 10.585 -7.984 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.312 10.542 -6.705 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.137 5.256 -7.588 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.213 4.856 -8.530 1.00 0.00 C ATOM 1233 C GLU A 76 -7.487 4.675 -7.718 1.00 0.00 C ATOM 1234 O GLU A 76 -8.527 5.209 -8.038 1.00 0.00 O ATOM 1235 CB GLU A 76 -5.824 3.527 -9.160 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.056 3.756 -10.462 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.024 4.210 -11.556 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -6.585 5.284 -11.414 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.188 3.476 -12.516 1.00 0.00 O ATOM 0 H GLU A 76 -4.360 4.598 -7.522 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.361 5.604 -9.309 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.210 2.954 -8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.718 2.936 -9.358 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.282 4.509 -10.312 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.553 2.838 -10.766 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.391 3.941 -6.643 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.564 3.741 -5.769 1.00 0.00 C ATOM 1248 C ALA A 77 -8.958 5.113 -5.245 1.00 0.00 C ATOM 1249 O ALA A 77 -10.121 5.435 -5.107 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.196 2.823 -4.601 1.00 0.00 C ATOM 0 H ALA A 77 -6.539 3.470 -6.337 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.385 3.277 -6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.067 2.681 -3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.867 1.858 -4.986 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.391 3.276 -4.022 1.00 0.00 H new ATOM 1256 N LYS A 78 -7.981 5.944 -4.989 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.286 7.317 -4.519 1.00 0.00 C ATOM 1258 C LYS A 78 -9.105 7.994 -5.608 1.00 0.00 C ATOM 1259 O LYS A 78 -9.960 8.821 -5.361 1.00 0.00 O ATOM 1260 CB LYS A 78 -6.979 8.079 -4.349 1.00 0.00 C ATOM 1261 CG LYS A 78 -7.007 8.874 -3.042 1.00 0.00 C ATOM 1262 CD LYS A 78 -7.758 10.189 -3.259 1.00 0.00 C ATOM 1263 CE LYS A 78 -6.847 11.364 -2.895 1.00 0.00 C ATOM 1264 NZ LYS A 78 -5.732 11.451 -3.880 1.00 0.00 N ATOM 0 H LYS A 78 -6.989 5.727 -5.086 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.826 7.297 -3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.140 7.383 -4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.829 8.753 -5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.493 8.291 -2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.990 9.075 -2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.077 10.271 -4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.659 10.211 -2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.417 12.293 -2.892 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.449 11.231 -1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.342 12.415 -3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.986 10.775 -3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.089 11.224 -4.830 1.00 0.00 H new ATOM 1278 N ALA A 79 -8.825 7.625 -6.822 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.536 8.192 -7.985 1.00 0.00 C ATOM 1280 C ALA A 79 -10.944 7.609 -8.037 1.00 0.00 C ATOM 1281 O ALA A 79 -11.890 8.248 -8.454 1.00 0.00 O ATOM 1282 CB ALA A 79 -8.769 7.795 -9.245 1.00 0.00 C ATOM 0 H ALA A 79 -8.112 6.935 -7.058 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.600 9.278 -7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.274 8.202 -10.121 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.755 8.191 -9.194 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.730 6.708 -9.320 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.073 6.386 -7.614 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.390 5.707 -7.619 1.00 0.00 C ATOM 1290 C GLU A 80 -13.392 6.488 -6.765 1.00 0.00 C ATOM 1291 O GLU A 80 -14.581 6.247 -6.813 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.206 4.301 -7.048 1.00 0.00 C ATOM 1293 CG GLU A 80 -11.790 3.356 -8.172 1.00 0.00 C ATOM 1294 CD GLU A 80 -12.837 2.251 -8.326 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -13.468 1.918 -7.336 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -12.990 1.757 -9.431 1.00 0.00 O ATOM 0 H GLU A 80 -10.304 5.819 -7.258 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.776 5.654 -8.637 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.448 4.310 -6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.134 3.956 -6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.689 3.908 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.816 2.920 -7.952 1.00 0.00 H new ATOM 1303 N GLY A 81 -12.922 7.417 -5.981 1.00 0.00 N ATOM 1304 CA GLY A 81 -13.849 8.206 -5.122 1.00 0.00 C ATOM 1305 C GLY A 81 -13.479 7.980 -3.658 1.00 0.00 C ATOM 1306 O GLY A 81 -13.878 8.721 -2.782 1.00 0.00 O ATOM 0 H GLY A 81 -11.936 7.664 -5.898 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.782 9.266 -5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.880 7.902 -5.302 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.714 6.959 -3.391 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.307 6.677 -1.990 1.00 0.00 C ATOM 1312 C CYS A 82 -11.495 7.857 -1.453 1.00 0.00 C ATOM 1313 O CYS A 82 -10.931 8.627 -2.206 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.449 5.413 -1.965 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.517 3.959 -1.818 1.00 0.00 S ATOM 0 H CYS A 82 -12.353 6.306 -4.087 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.191 6.532 -1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.852 5.348 -2.875 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.752 5.451 -1.128 1.00 0.00 H new ATOM 0 HG CYS A 82 -12.203 3.297 -0.744 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.431 8.010 -0.159 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.657 9.145 0.415 1.00 0.00 C ATOM 1323 C ASP A 83 -9.338 8.628 0.998 1.00 0.00 C ATOM 1324 O ASP A 83 -9.104 8.692 2.189 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.483 9.815 1.513 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.886 11.185 1.838 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -9.800 11.466 1.357 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.524 11.931 2.563 1.00 0.00 O ATOM 0 H ASP A 83 -11.880 7.400 0.524 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.438 9.871 -0.368 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.518 9.925 1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.494 9.190 2.406 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.472 8.124 0.161 1.00 0.00 N ATOM 1334 CA ILE A 84 -7.161 7.609 0.652 1.00 0.00 C ATOM 1335 C ILE A 84 -6.109 8.716 0.518 1.00 0.00 C ATOM 1336 O ILE A 84 -5.411 8.801 -0.473 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.736 6.416 -0.200 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.644 5.231 0.092 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.292 6.039 0.125 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -8.041 4.585 -1.230 1.00 0.00 C ATOM 0 H ILE A 84 -8.616 8.046 -0.846 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.253 7.303 1.694 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.813 6.683 -1.254 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.131 4.509 0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.531 5.559 0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.992 5.187 -0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.638 6.885 -0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.213 5.775 1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.693 3.733 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.568 5.313 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.146 4.247 -1.753 1.00 0.00 H new ATOM 1352 N THR A 85 -5.988 9.562 1.501 1.00 0.00 N ATOM 1353 CA THR A 85 -4.979 10.657 1.420 1.00 0.00 C ATOM 1354 C THR A 85 -3.601 10.054 1.146 1.00 0.00 C ATOM 1355 O THR A 85 -2.924 9.594 2.043 1.00 0.00 O ATOM 1356 CB THR A 85 -4.946 11.422 2.745 1.00 0.00 C ATOM 1357 OG1 THR A 85 -6.153 12.158 2.894 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.755 12.382 2.754 1.00 0.00 C ATOM 0 H THR A 85 -6.543 9.544 2.357 1.00 0.00 H new ATOM 0 HA THR A 85 -5.247 11.341 0.614 1.00 0.00 H new ATOM 0 HB THR A 85 -4.845 10.717 3.570 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.135 12.648 3.743 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.733 12.926 3.698 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.831 11.816 2.640 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.851 13.089 1.930 1.00 0.00 H new ATOM 1366 N ILE A 86 -3.182 10.050 -0.089 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.849 9.473 -0.422 1.00 0.00 C ATOM 1368 C ILE A 86 -0.747 10.432 0.028 1.00 0.00 C ATOM 1369 O ILE A 86 -0.586 11.507 -0.515 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.754 9.260 -1.933 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -3.011 8.535 -2.419 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.520 8.416 -2.254 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -3.003 7.095 -1.903 1.00 0.00 C ATOM 0 H ILE A 86 -3.705 10.421 -0.882 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.728 8.519 0.091 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.671 10.224 -2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.902 9.054 -2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.049 8.542 -3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.453 8.265 -3.331 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.374 8.931 -1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.601 7.450 -1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.899 6.579 -2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.119 6.579 -2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.986 7.099 -0.813 1.00 0.00 H new ATOM 1385 N ILE A 87 0.017 10.050 1.013 1.00 0.00 N ATOM 1386 CA ILE A 87 1.111 10.939 1.490 1.00 0.00 C ATOM 1387 C ILE A 87 2.456 10.359 1.046 1.00 0.00 C ATOM 1388 O ILE A 87 2.967 9.423 1.630 1.00 0.00 O ATOM 1389 CB ILE A 87 1.062 11.037 3.015 1.00 0.00 C ATOM 1390 CG1 ILE A 87 -0.199 11.796 3.434 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.294 11.786 3.521 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.300 11.815 4.961 1.00 0.00 C ATOM 0 H ILE A 87 -0.069 9.162 1.507 1.00 0.00 H new ATOM 0 HA ILE A 87 0.989 11.936 1.067 1.00 0.00 H new ATOM 0 HB ILE A 87 1.046 10.034 3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.168 12.815 3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.082 11.320 3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.257 11.855 4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.194 11.249 3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.311 12.789 3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.198 12.356 5.260 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.351 10.792 5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.577 12.311 5.378 1.00 0.00 H new ATOM 1404 N LEU A 88 3.024 10.905 0.006 1.00 0.00 N ATOM 1405 CA LEU A 88 4.328 10.393 -0.500 1.00 0.00 C ATOM 1406 C LEU A 88 5.478 11.119 0.201 1.00 0.00 C ATOM 1407 O LEU A 88 5.552 12.331 0.200 1.00 0.00 O ATOM 1408 CB LEU A 88 4.403 10.639 -2.005 1.00 0.00 C ATOM 1409 CG LEU A 88 3.166 10.042 -2.695 1.00 0.00 C ATOM 1410 CD1 LEU A 88 3.549 9.607 -4.101 1.00 0.00 C ATOM 1411 CD2 LEU A 88 2.653 8.816 -1.927 1.00 0.00 C ATOM 0 H LEU A 88 2.637 11.690 -0.518 1.00 0.00 H new ATOM 0 HA LEU A 88 4.409 9.326 -0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.461 11.709 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.309 10.189 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 88 2.381 10.798 -2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.678 9.182 -4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.905 10.470 -4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.339 8.858 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.777 8.410 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.435 8.057 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.382 9.109 -0.913 1.00 0.00 H new ATOM 1423 N SER A 89 6.376 10.386 0.801 1.00 0.00 N ATOM 1424 CA SER A 89 7.519 11.035 1.502 1.00 0.00 C ATOM 1425 C SER A 89 8.745 11.035 0.587 1.00 0.00 C ATOM 1426 O SER A 89 9.301 9.970 0.374 1.00 0.00 O ATOM 1427 CB SER A 89 7.838 10.261 2.782 1.00 0.00 C ATOM 1428 OG SER A 89 8.592 11.089 3.657 1.00 0.00 O ATOM 1429 OXT SER A 89 9.107 12.100 0.114 1.00 0.00 O ATOM 0 H SER A 89 6.367 9.367 0.836 1.00 0.00 H new ATOM 0 HA SER A 89 7.254 12.062 1.755 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.915 9.944 3.268 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.400 9.358 2.544 1.00 0.00 H new ATOM 0 HG SER A 89 8.796 10.596 4.479 1.00 0.00 H new