USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 989 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 76 SER OG : rot -151:sc= 0.406 USER MOD Set 1.2: A 78 ASN : amide:sc= -1.67! C(o=-1.3!,f=-1.5!) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0434 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 36:sc= 0.499 USER MOD Single : A 8 MET CE :methyl -119:sc= -2.04 (180deg=-8.13!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot -28:sc= 0.335 USER MOD Single : A 27 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-1.3) USER MOD Single : A 33 SER OG : rot 14:sc= 0.166 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -40:sc= 0.00902 USER MOD Single : A 45 HIS : no HD1:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0624 USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0172) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HE2:sc= -2.26! K(o=-2.3!,f=-1.2) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 180:sc= -0.257 USER MOD Single : A 79 SER OG : rot 150:sc= 0.13 USER MOD Single : A 81 GLN : amide:sc= -0.227 K(o=-0.23,f=-2.4!) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 86 GLN : amide:sc= -0.363 K(o=-0.36,f=-1.7) USER MOD Single : A 87 CYS SG : rot -35:sc= -0.0909 USER MOD Single : A 89 THR OG1 : rot 67:sc= 0.0327 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -54:sc= 0.655 USER MOD Single : A 106 MET CE :methyl -177:sc= -0.113 (180deg=-0.169) USER MOD Single : A 108 HIS : no HE2:sc= -0.691 X(o=-0.69,f=-1.2) USER MOD Single : A 115 GLN : amide:sc= -6.64! C(o=-6.6!,f=-8.5!) USER MOD Single : A 116 GLN : amide:sc=-0.00405 K(o=-0.004,f=-1.1) USER MOD Single : A 117 ASN : amide:sc= 0.296 X(o=0.3,f=-0.018) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.248 K(o=-0.25,f=-1.9!) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.757 20.285 -4.465 1.00 0.00 N ATOM 2 CA GLY A 1 -22.449 20.750 -4.042 1.00 0.00 C ATOM 3 C GLY A 1 -22.216 20.552 -2.557 1.00 0.00 C ATOM 4 O GLY A 1 -22.815 19.672 -1.940 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.654 19.665 -5.294 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.204 19.755 -3.690 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.351 21.101 -4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.679 20.218 -4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.347 21.808 -4.285 1.00 0.00 H new ATOM 8 N SER A 2 -21.341 21.372 -1.983 1.00 0.00 N ATOM 9 CA SER A 2 -21.026 21.280 -0.562 1.00 0.00 C ATOM 10 C SER A 2 -21.108 22.651 0.102 1.00 0.00 C ATOM 11 O SER A 2 -21.044 23.682 -0.567 1.00 0.00 O ATOM 12 CB SER A 2 -19.629 20.687 -0.365 1.00 0.00 C ATOM 13 OG SER A 2 -19.667 19.271 -0.400 1.00 0.00 O ATOM 0 H SER A 2 -20.838 22.107 -2.480 1.00 0.00 H new ATOM 0 HA SER A 2 -21.760 20.624 -0.094 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.961 21.055 -1.144 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.220 21.020 0.589 1.00 0.00 H new ATOM 0 HG SER A 2 -18.762 18.916 -0.274 1.00 0.00 H new ATOM 19 N SER A 3 -21.248 22.653 1.424 1.00 0.00 N ATOM 20 CA SER A 3 -21.343 23.896 2.181 1.00 0.00 C ATOM 21 C SER A 3 -19.968 24.537 2.347 1.00 0.00 C ATOM 22 O SER A 3 -19.033 23.908 2.841 1.00 0.00 O ATOM 23 CB SER A 3 -21.966 23.637 3.553 1.00 0.00 C ATOM 24 OG SER A 3 -21.771 24.741 4.419 1.00 0.00 O ATOM 0 H SER A 3 -21.298 21.808 1.993 1.00 0.00 H new ATOM 0 HA SER A 3 -21.981 24.583 1.625 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.033 23.443 3.441 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.524 22.743 3.993 1.00 0.00 H new ATOM 0 HG SER A 3 -22.180 24.551 5.289 1.00 0.00 H new ATOM 30 N GLY A 4 -19.853 25.794 1.929 1.00 0.00 N ATOM 31 CA GLY A 4 -18.590 26.499 2.039 1.00 0.00 C ATOM 32 C GLY A 4 -17.561 26.007 1.040 1.00 0.00 C ATOM 33 O GLY A 4 -17.911 25.408 0.023 1.00 0.00 O ATOM 0 H GLY A 4 -20.612 26.336 1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.758 27.565 1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.197 26.379 3.049 1.00 0.00 H new ATOM 37 N SER A 5 -16.289 26.261 1.329 1.00 0.00 N ATOM 38 CA SER A 5 -15.206 25.844 0.446 1.00 0.00 C ATOM 39 C SER A 5 -14.064 25.222 1.243 1.00 0.00 C ATOM 40 O SER A 5 -13.373 25.908 1.997 1.00 0.00 O ATOM 41 CB SER A 5 -14.690 27.037 -0.361 1.00 0.00 C ATOM 42 OG SER A 5 -13.965 26.606 -1.500 1.00 0.00 O ATOM 0 H SER A 5 -15.983 26.754 2.168 1.00 0.00 H new ATOM 0 HA SER A 5 -15.598 25.093 -0.240 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.529 27.659 -0.674 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.051 27.657 0.268 1.00 0.00 H new ATOM 0 HG SER A 5 -13.647 27.387 -2.000 1.00 0.00 H new ATOM 48 N SER A 6 -13.870 23.919 1.070 1.00 0.00 N ATOM 49 CA SER A 6 -12.814 23.202 1.775 1.00 0.00 C ATOM 50 C SER A 6 -11.743 22.717 0.802 1.00 0.00 C ATOM 51 O SER A 6 -11.997 21.858 -0.041 1.00 0.00 O ATOM 52 CB SER A 6 -13.398 22.014 2.541 1.00 0.00 C ATOM 53 OG SER A 6 -14.107 21.146 1.673 1.00 0.00 O ATOM 0 H SER A 6 -14.431 23.338 0.447 1.00 0.00 H new ATOM 0 HA SER A 6 -12.352 23.890 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.595 21.465 3.034 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.065 22.375 3.324 1.00 0.00 H new ATOM 0 HG SER A 6 -13.651 21.106 0.806 1.00 0.00 H new ATOM 59 N GLY A 7 -10.543 23.276 0.926 1.00 0.00 N ATOM 60 CA GLY A 7 -9.451 22.890 0.053 1.00 0.00 C ATOM 61 C GLY A 7 -8.219 22.455 0.822 1.00 0.00 C ATOM 62 O GLY A 7 -7.155 23.060 0.696 1.00 0.00 O ATOM 0 H GLY A 7 -10.308 23.990 1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.778 22.076 -0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.194 23.728 -0.595 1.00 0.00 H new ATOM 66 N MET A 8 -8.363 21.403 1.621 1.00 0.00 N ATOM 67 CA MET A 8 -7.253 20.889 2.414 1.00 0.00 C ATOM 68 C MET A 8 -5.964 20.874 1.599 1.00 0.00 C ATOM 69 O MET A 8 -4.918 21.325 2.066 1.00 0.00 O ATOM 70 CB MET A 8 -7.568 19.479 2.918 1.00 0.00 C ATOM 71 CG MET A 8 -8.127 18.560 1.843 1.00 0.00 C ATOM 72 SD MET A 8 -6.838 17.665 0.955 1.00 0.00 S ATOM 73 CE MET A 8 -6.187 16.626 2.261 1.00 0.00 C ATOM 0 H MET A 8 -9.237 20.890 1.736 1.00 0.00 H new ATOM 0 HA MET A 8 -7.114 21.550 3.269 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.659 19.036 3.326 1.00 0.00 H new ATOM 0 HB3 MET A 8 -8.285 19.546 3.736 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.811 17.845 2.301 1.00 0.00 H new ATOM 0 HG3 MET A 8 -8.709 19.149 1.134 1.00 0.00 H new ATOM 0 HE1 MET A 8 -5.134 16.859 2.421 1.00 0.00 H new ATOM 0 HE2 MET A 8 -6.743 16.807 3.181 1.00 0.00 H new ATOM 0 HE3 MET A 8 -6.287 15.579 1.977 1.00 0.00 H new ATOM 83 N ALA A 9 -6.046 20.352 0.379 1.00 0.00 N ATOM 84 CA ALA A 9 -4.886 20.281 -0.501 1.00 0.00 C ATOM 85 C ALA A 9 -5.300 19.937 -1.927 1.00 0.00 C ATOM 86 O ALA A 9 -6.280 19.225 -2.144 1.00 0.00 O ATOM 87 CB ALA A 9 -3.889 19.257 0.023 1.00 0.00 C ATOM 0 H ALA A 9 -6.904 19.972 -0.022 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.410 21.262 -0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.028 19.214 -0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.561 19.546 1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.363 18.277 0.067 1.00 0.00 H new ATOM 93 N GLU A 10 -4.548 20.448 -2.897 1.00 0.00 N ATOM 94 CA GLU A 10 -4.839 20.195 -4.303 1.00 0.00 C ATOM 95 C GLU A 10 -4.511 18.752 -4.676 1.00 0.00 C ATOM 96 O GLU A 10 -5.372 17.984 -5.105 1.00 0.00 O ATOM 97 CB GLU A 10 -4.046 21.156 -5.191 1.00 0.00 C ATOM 98 CG GLU A 10 -4.817 22.408 -5.573 1.00 0.00 C ATOM 99 CD GLU A 10 -4.817 23.452 -4.473 1.00 0.00 C ATOM 100 OE1 GLU A 10 -3.720 23.814 -3.998 1.00 0.00 O ATOM 101 OE2 GLU A 10 -5.914 23.906 -4.088 1.00 0.00 O ATOM 0 H GLU A 10 -3.733 21.039 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.905 20.359 -4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.132 21.446 -4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.745 20.634 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.382 22.837 -6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.846 22.138 -5.812 1.00 0.00 H new ATOM 108 N PRO A 11 -3.235 18.374 -4.509 1.00 0.00 N ATOM 109 CA PRO A 11 -2.763 17.022 -4.822 1.00 0.00 C ATOM 110 C PRO A 11 -3.301 15.980 -3.847 1.00 0.00 C ATOM 111 O PRO A 11 -3.784 14.924 -4.256 1.00 0.00 O ATOM 112 CB PRO A 11 -1.242 17.138 -4.693 1.00 0.00 C ATOM 113 CG PRO A 11 -1.027 18.274 -3.753 1.00 0.00 C ATOM 114 CD PRO A 11 -2.155 19.237 -4.002 1.00 0.00 C ATOM 0 HA PRO A 11 -3.098 16.692 -5.805 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.806 16.217 -4.307 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.776 17.330 -5.660 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.029 17.930 -2.719 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.062 18.749 -3.929 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.450 19.755 -3.089 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.878 20.002 -4.728 1.00 0.00 H new ATOM 122 N VAL A 12 -3.216 16.284 -2.556 1.00 0.00 N ATOM 123 CA VAL A 12 -3.697 15.374 -1.523 1.00 0.00 C ATOM 124 C VAL A 12 -5.164 15.021 -1.741 1.00 0.00 C ATOM 125 O VAL A 12 -5.578 13.884 -1.516 1.00 0.00 O ATOM 126 CB VAL A 12 -3.529 15.982 -0.118 1.00 0.00 C ATOM 127 CG1 VAL A 12 -3.837 14.946 0.953 1.00 0.00 C ATOM 128 CG2 VAL A 12 -2.125 16.540 0.057 1.00 0.00 C ATOM 0 H VAL A 12 -2.819 17.153 -2.200 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.095 14.468 -1.593 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.238 16.803 -0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.713 15.394 1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.864 14.599 0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.155 14.102 0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.024 16.966 1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.397 15.739 -0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.946 17.316 -0.688 1.00 0.00 H new ATOM 138 N GLN A 13 -5.944 16.004 -2.179 1.00 0.00 N ATOM 139 CA GLN A 13 -7.366 15.796 -2.427 1.00 0.00 C ATOM 140 C GLN A 13 -7.582 14.924 -3.659 1.00 0.00 C ATOM 141 O GLN A 13 -8.213 13.870 -3.582 1.00 0.00 O ATOM 142 CB GLN A 13 -8.075 17.139 -2.608 1.00 0.00 C ATOM 143 CG GLN A 13 -9.556 17.008 -2.925 1.00 0.00 C ATOM 144 CD GLN A 13 -10.323 18.292 -2.677 1.00 0.00 C ATOM 145 OE1 GLN A 13 -10.770 18.555 -1.561 1.00 0.00 O ATOM 146 NE2 GLN A 13 -10.478 19.100 -3.720 1.00 0.00 N ATOM 0 H GLN A 13 -5.616 16.951 -2.369 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.789 15.283 -1.563 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.958 17.728 -1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.588 17.692 -3.411 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.676 16.714 -3.968 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.984 16.211 -2.318 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.090 18.842 -4.627 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.985 19.979 -3.613 1.00 0.00 H new ATOM 155 N GLU A 14 -7.055 15.370 -4.795 1.00 0.00 N ATOM 156 CA GLU A 14 -7.192 14.630 -6.043 1.00 0.00 C ATOM 157 C GLU A 14 -6.683 13.200 -5.886 1.00 0.00 C ATOM 158 O GLU A 14 -7.299 12.254 -6.377 1.00 0.00 O ATOM 159 CB GLU A 14 -6.428 15.334 -7.166 1.00 0.00 C ATOM 160 CG GLU A 14 -4.974 14.907 -7.274 1.00 0.00 C ATOM 161 CD GLU A 14 -4.263 15.547 -8.451 1.00 0.00 C ATOM 162 OE1 GLU A 14 -3.924 16.746 -8.357 1.00 0.00 O ATOM 163 OE2 GLU A 14 -4.047 14.851 -9.465 1.00 0.00 O ATOM 0 H GLU A 14 -6.529 16.240 -4.876 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.251 14.595 -6.300 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.928 15.135 -8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.470 16.411 -7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.453 15.170 -6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.924 13.822 -7.370 1.00 0.00 H new ATOM 170 N GLU A 15 -5.555 13.051 -5.199 1.00 0.00 N ATOM 171 CA GLU A 15 -4.963 11.737 -4.979 1.00 0.00 C ATOM 172 C GLU A 15 -5.905 10.843 -4.178 1.00 0.00 C ATOM 173 O GLU A 15 -5.906 9.622 -4.337 1.00 0.00 O ATOM 174 CB GLU A 15 -3.626 11.872 -4.247 1.00 0.00 C ATOM 175 CG GLU A 15 -2.851 10.568 -4.149 1.00 0.00 C ATOM 176 CD GLU A 15 -2.504 9.992 -5.509 1.00 0.00 C ATOM 177 OE1 GLU A 15 -2.236 10.783 -6.437 1.00 0.00 O ATOM 178 OE2 GLU A 15 -2.499 8.751 -5.643 1.00 0.00 O ATOM 0 H GLU A 15 -5.033 13.824 -4.785 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.792 11.276 -5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.013 12.612 -4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.808 12.253 -3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.934 10.736 -3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.440 9.841 -3.590 1.00 0.00 H new ATOM 185 N LEU A 16 -6.706 11.460 -3.316 1.00 0.00 N ATOM 186 CA LEU A 16 -7.654 10.721 -2.489 1.00 0.00 C ATOM 187 C LEU A 16 -8.891 10.333 -3.293 1.00 0.00 C ATOM 188 O LEU A 16 -9.291 9.169 -3.312 1.00 0.00 O ATOM 189 CB LEU A 16 -8.063 11.558 -1.275 1.00 0.00 C ATOM 190 CG LEU A 16 -7.042 11.636 -0.140 1.00 0.00 C ATOM 191 CD1 LEU A 16 -7.362 12.799 0.787 1.00 0.00 C ATOM 192 CD2 LEU A 16 -7.006 10.327 0.636 1.00 0.00 C ATOM 0 H LEU A 16 -6.718 12.470 -3.172 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.165 9.809 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.279 12.571 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.992 11.151 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.057 11.805 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.625 12.839 1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.336 13.732 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.355 12.661 1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.274 10.401 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.991 10.128 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.728 9.514 -0.035 1.00 0.00 H new ATOM 204 N SER A 17 -9.492 11.315 -3.956 1.00 0.00 N ATOM 205 CA SER A 17 -10.684 11.077 -4.761 1.00 0.00 C ATOM 206 C SER A 17 -10.377 10.138 -5.923 1.00 0.00 C ATOM 207 O SER A 17 -11.036 9.114 -6.101 1.00 0.00 O ATOM 208 CB SER A 17 -11.240 12.400 -5.292 1.00 0.00 C ATOM 209 OG SER A 17 -12.406 12.188 -6.069 1.00 0.00 O ATOM 0 H SER A 17 -9.173 12.284 -3.952 1.00 0.00 H new ATOM 0 HA SER A 17 -11.433 10.606 -4.125 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.471 13.062 -4.457 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.483 12.900 -5.896 1.00 0.00 H new ATOM 0 HG SER A 17 -12.743 13.049 -6.395 1.00 0.00 H new ATOM 215 N VAL A 18 -9.369 10.495 -6.714 1.00 0.00 N ATOM 216 CA VAL A 18 -8.972 9.686 -7.859 1.00 0.00 C ATOM 217 C VAL A 18 -8.888 8.210 -7.486 1.00 0.00 C ATOM 218 O VAL A 18 -9.088 7.333 -8.328 1.00 0.00 O ATOM 219 CB VAL A 18 -7.612 10.140 -8.423 1.00 0.00 C ATOM 220 CG1 VAL A 18 -6.487 9.765 -7.471 1.00 0.00 C ATOM 221 CG2 VAL A 18 -7.379 9.538 -9.800 1.00 0.00 C ATOM 0 H VAL A 18 -8.813 11.340 -6.582 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.737 9.822 -8.623 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.624 11.225 -8.523 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.534 10.094 -7.886 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.649 10.249 -6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.470 8.684 -7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.414 9.869 -10.183 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.387 8.450 -9.728 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.169 9.862 -10.477 1.00 0.00 H new ATOM 231 N LEU A 19 -8.591 7.942 -6.220 1.00 0.00 N ATOM 232 CA LEU A 19 -8.481 6.571 -5.734 1.00 0.00 C ATOM 233 C LEU A 19 -9.859 5.943 -5.556 1.00 0.00 C ATOM 234 O LEU A 19 -10.053 4.758 -5.826 1.00 0.00 O ATOM 235 CB LEU A 19 -7.718 6.539 -4.408 1.00 0.00 C ATOM 236 CG LEU A 19 -6.202 6.715 -4.501 1.00 0.00 C ATOM 237 CD1 LEU A 19 -5.619 7.049 -3.136 1.00 0.00 C ATOM 238 CD2 LEU A 19 -5.553 5.462 -5.068 1.00 0.00 C ATOM 0 H LEU A 19 -8.422 8.656 -5.511 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.932 5.992 -6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.116 7.323 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.924 5.588 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.993 7.545 -5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.539 7.171 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.061 7.975 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.839 6.241 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.474 5.606 -5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.771 4.614 -4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.948 5.267 -6.065 1.00 0.00 H new ATOM 250 N ALA A 20 -10.816 6.747 -5.102 1.00 0.00 N ATOM 251 CA ALA A 20 -12.177 6.272 -4.892 1.00 0.00 C ATOM 252 C ALA A 20 -12.780 5.743 -6.189 1.00 0.00 C ATOM 253 O ALA A 20 -13.824 5.091 -6.179 1.00 0.00 O ATOM 254 CB ALA A 20 -13.043 7.386 -4.322 1.00 0.00 C ATOM 0 H ALA A 20 -10.673 7.731 -4.873 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.142 5.451 -4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.057 7.017 -4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.630 7.716 -3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.062 8.224 -5.018 1.00 0.00 H new ATOM 260 N ALA A 21 -12.116 6.028 -7.304 1.00 0.00 N ATOM 261 CA ALA A 21 -12.585 5.579 -8.609 1.00 0.00 C ATOM 262 C ALA A 21 -12.128 4.153 -8.897 1.00 0.00 C ATOM 263 O ALA A 21 -12.925 3.306 -9.303 1.00 0.00 O ATOM 264 CB ALA A 21 -12.096 6.522 -9.699 1.00 0.00 C ATOM 0 H ALA A 21 -11.251 6.568 -7.330 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.675 5.588 -8.598 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.454 6.174 -10.668 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.477 7.525 -9.510 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.006 6.542 -9.701 1.00 0.00 H new ATOM 270 N ILE A 22 -10.843 3.894 -8.683 1.00 0.00 N ATOM 271 CA ILE A 22 -10.281 2.570 -8.919 1.00 0.00 C ATOM 272 C ILE A 22 -11.052 1.501 -8.151 1.00 0.00 C ATOM 273 O ILE A 22 -11.437 0.475 -8.712 1.00 0.00 O ATOM 274 CB ILE A 22 -8.797 2.508 -8.513 1.00 0.00 C ATOM 275 CG1 ILE A 22 -7.934 3.252 -9.535 1.00 0.00 C ATOM 276 CG2 ILE A 22 -8.343 1.061 -8.383 1.00 0.00 C ATOM 277 CD1 ILE A 22 -7.734 4.714 -9.205 1.00 0.00 C ATOM 0 H ILE A 22 -10.171 4.584 -8.346 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.365 2.377 -9.989 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.681 2.994 -7.544 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.961 2.766 -9.599 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.397 3.170 -10.518 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.292 1.034 -8.096 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.940 0.559 -7.622 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.471 0.552 -9.338 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.113 5.178 -9.971 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.702 5.215 -9.169 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.243 4.804 -8.236 1.00 0.00 H new ATOM 289 N PHE A 23 -11.275 1.750 -6.865 1.00 0.00 N ATOM 290 CA PHE A 23 -12.001 0.809 -6.019 1.00 0.00 C ATOM 291 C PHE A 23 -13.507 1.026 -6.133 1.00 0.00 C ATOM 292 O PHE A 23 -14.269 0.076 -6.320 1.00 0.00 O ATOM 293 CB PHE A 23 -11.562 0.958 -4.561 1.00 0.00 C ATOM 294 CG PHE A 23 -10.094 0.719 -4.350 1.00 0.00 C ATOM 295 CD1 PHE A 23 -9.602 -0.568 -4.199 1.00 0.00 C ATOM 296 CD2 PHE A 23 -9.206 1.782 -4.301 1.00 0.00 C ATOM 297 CE1 PHE A 23 -8.252 -0.791 -4.005 1.00 0.00 C ATOM 298 CE2 PHE A 23 -7.855 1.564 -4.107 1.00 0.00 C ATOM 299 CZ PHE A 23 -7.377 0.277 -3.958 1.00 0.00 C ATOM 0 H PHE A 23 -10.964 2.595 -6.386 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.770 -0.200 -6.359 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.812 1.961 -4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.128 0.258 -3.946 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.282 -1.407 -4.233 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.573 2.791 -4.416 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.882 -1.799 -3.890 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.173 2.401 -4.072 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.322 0.106 -3.805 1.00 0.00 H new ATOM 309 N CYS A 24 -13.928 2.280 -6.019 1.00 0.00 N ATOM 310 CA CYS A 24 -15.343 2.623 -6.108 1.00 0.00 C ATOM 311 C CYS A 24 -16.193 1.632 -5.318 1.00 0.00 C ATOM 312 O CYS A 24 -17.356 1.397 -5.646 1.00 0.00 O ATOM 313 CB CYS A 24 -15.793 2.647 -7.569 1.00 0.00 C ATOM 314 SG CYS A 24 -16.170 1.017 -8.253 1.00 0.00 S ATOM 0 H CYS A 24 -13.310 3.077 -5.865 1.00 0.00 H new ATOM 0 HA CYS A 24 -15.479 3.615 -5.678 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -16.677 3.278 -7.655 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -15.011 3.110 -8.171 1.00 0.00 H new ATOM 0 HG CYS A 24 -15.469 0.114 -7.634 1.00 0.00 H new ATOM 320 N ARG A 25 -15.603 1.053 -4.278 1.00 0.00 N ATOM 321 CA ARG A 25 -16.305 0.085 -3.443 1.00 0.00 C ATOM 322 C ARG A 25 -16.275 0.508 -1.977 1.00 0.00 C ATOM 323 O ARG A 25 -15.238 0.895 -1.439 1.00 0.00 O ATOM 324 CB ARG A 25 -15.679 -1.303 -3.598 1.00 0.00 C ATOM 325 CG ARG A 25 -16.075 -2.009 -4.884 1.00 0.00 C ATOM 326 CD ARG A 25 -17.365 -2.796 -4.713 1.00 0.00 C ATOM 327 NE ARG A 25 -18.544 -1.982 -5.000 1.00 0.00 N ATOM 328 CZ ARG A 25 -19.018 -1.780 -6.224 1.00 0.00 C ATOM 329 NH1 ARG A 25 -18.416 -2.330 -7.270 1.00 0.00 N ATOM 330 NH2 ARG A 25 -20.095 -1.027 -6.404 1.00 0.00 N ATOM 0 H ARG A 25 -14.641 1.237 -3.993 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.344 0.046 -3.770 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -14.594 -1.209 -3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -15.971 -1.921 -2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -16.198 -1.275 -5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -15.275 -2.682 -5.192 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.352 -3.662 -5.375 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -17.426 -3.176 -3.693 1.00 0.00 H new ATOM 0 HE ARG A 25 -19.030 -1.545 -4.217 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -17.587 -2.909 -7.135 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -18.782 -2.174 -8.209 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -20.560 -0.602 -5.602 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -20.458 -0.873 -7.345 1.00 0.00 H new ATOM 344 N PRO A 26 -17.439 0.433 -1.316 1.00 0.00 N ATOM 345 CA PRO A 26 -17.572 0.803 0.096 1.00 0.00 C ATOM 346 C PRO A 26 -16.869 -0.182 1.023 1.00 0.00 C ATOM 347 O PRO A 26 -16.558 0.142 2.170 1.00 0.00 O ATOM 348 CB PRO A 26 -19.085 0.772 0.330 1.00 0.00 C ATOM 349 CG PRO A 26 -19.607 -0.176 -0.694 1.00 0.00 C ATOM 350 CD PRO A 26 -18.715 -0.020 -1.895 1.00 0.00 C ATOM 0 HA PRO A 26 -17.114 1.769 0.309 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -19.323 0.435 1.339 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -19.524 1.763 0.213 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -19.587 -1.201 -0.323 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -20.643 0.052 -0.945 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -18.600 -0.960 -2.435 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -19.116 0.707 -2.602 1.00 0.00 H new ATOM 358 N HIS A 27 -16.622 -1.388 0.520 1.00 0.00 N ATOM 359 CA HIS A 27 -15.954 -2.421 1.304 1.00 0.00 C ATOM 360 C HIS A 27 -14.451 -2.413 1.045 1.00 0.00 C ATOM 361 O HIS A 27 -13.655 -2.677 1.945 1.00 0.00 O ATOM 362 CB HIS A 27 -16.533 -3.796 0.972 1.00 0.00 C ATOM 363 CG HIS A 27 -18.021 -3.793 0.795 1.00 0.00 C ATOM 364 ND1 HIS A 27 -18.686 -4.705 0.002 1.00 0.00 N ATOM 365 CD2 HIS A 27 -18.972 -2.984 1.315 1.00 0.00 C ATOM 366 CE1 HIS A 27 -19.982 -4.455 0.041 1.00 0.00 C ATOM 367 NE2 HIS A 27 -20.183 -3.415 0.831 1.00 0.00 N ATOM 0 H HIS A 27 -16.874 -1.674 -0.426 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.124 -2.208 2.359 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -16.068 -4.166 0.059 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.271 -4.493 1.768 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -18.809 -2.154 1.986 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -20.748 -5.007 -0.484 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -21.090 -3.000 1.046 1.00 0.00 H new ATOM 376 N GLU A 28 -14.070 -2.108 -0.192 1.00 0.00 N ATOM 377 CA GLU A 28 -12.662 -2.067 -0.569 1.00 0.00 C ATOM 378 C GLU A 28 -12.027 -0.742 -0.158 1.00 0.00 C ATOM 379 O GLU A 28 -10.857 -0.694 0.224 1.00 0.00 O ATOM 380 CB GLU A 28 -12.508 -2.273 -2.077 1.00 0.00 C ATOM 381 CG GLU A 28 -13.298 -3.455 -2.614 1.00 0.00 C ATOM 382 CD GLU A 28 -12.547 -4.766 -2.485 1.00 0.00 C ATOM 383 OE1 GLU A 28 -11.438 -4.873 -3.051 1.00 0.00 O ATOM 384 OE2 GLU A 28 -13.067 -5.685 -1.819 1.00 0.00 O ATOM 0 H GLU A 28 -14.716 -1.886 -0.949 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.149 -2.874 -0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.828 -1.368 -2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.453 -2.416 -2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.244 -3.528 -2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.539 -3.280 -3.663 1.00 0.00 H new ATOM 391 N TRP A 29 -12.805 0.331 -0.241 1.00 0.00 N ATOM 392 CA TRP A 29 -12.319 1.657 0.121 1.00 0.00 C ATOM 393 C TRP A 29 -12.959 2.136 1.420 1.00 0.00 C ATOM 394 O TRP A 29 -14.153 2.430 1.462 1.00 0.00 O ATOM 395 CB TRP A 29 -12.610 2.654 -1.002 1.00 0.00 C ATOM 396 CG TRP A 29 -12.296 4.072 -0.634 1.00 0.00 C ATOM 397 CD1 TRP A 29 -13.189 5.045 -0.284 1.00 0.00 C ATOM 398 CD2 TRP A 29 -11.000 4.677 -0.581 1.00 0.00 C ATOM 399 NE1 TRP A 29 -12.526 6.218 -0.017 1.00 0.00 N ATOM 400 CE2 TRP A 29 -11.182 6.019 -0.191 1.00 0.00 C ATOM 401 CE3 TRP A 29 -9.703 4.216 -0.822 1.00 0.00 C ATOM 402 CZ2 TRP A 29 -10.115 6.901 -0.039 1.00 0.00 C ATOM 403 CZ3 TRP A 29 -8.646 5.093 -0.672 1.00 0.00 C ATOM 404 CH2 TRP A 29 -8.856 6.422 -0.282 1.00 0.00 C ATOM 0 H TRP A 29 -13.775 0.309 -0.556 1.00 0.00 H new ATOM 0 HA TRP A 29 -11.241 1.593 0.270 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.030 2.378 -1.883 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -13.662 2.582 -1.278 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -14.259 4.911 -0.226 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.964 7.095 0.265 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -9.530 3.193 -1.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -10.275 7.926 0.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -7.640 4.748 -0.859 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.008 7.082 -0.171 1.00 0.00 H new ATOM 415 N GLU A 30 -12.157 2.211 2.478 1.00 0.00 N ATOM 416 CA GLU A 30 -12.648 2.654 3.777 1.00 0.00 C ATOM 417 C GLU A 30 -11.646 3.590 4.447 1.00 0.00 C ATOM 418 O GLU A 30 -10.459 3.277 4.549 1.00 0.00 O ATOM 419 CB GLU A 30 -12.921 1.450 4.681 1.00 0.00 C ATOM 420 CG GLU A 30 -13.433 1.828 6.061 1.00 0.00 C ATOM 421 CD GLU A 30 -14.939 2.001 6.097 1.00 0.00 C ATOM 422 OE1 GLU A 30 -15.442 2.959 5.473 1.00 0.00 O ATOM 423 OE2 GLU A 30 -15.615 1.178 6.749 1.00 0.00 O ATOM 0 H GLU A 30 -11.166 1.971 2.461 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.579 3.199 3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.651 0.801 4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.003 0.872 4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.142 1.058 6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.957 2.755 6.380 1.00 0.00 H new ATOM 430 N VAL A 31 -12.132 4.740 4.902 1.00 0.00 N ATOM 431 CA VAL A 31 -11.280 5.722 5.563 1.00 0.00 C ATOM 432 C VAL A 31 -11.675 5.898 7.025 1.00 0.00 C ATOM 433 O VAL A 31 -12.698 6.511 7.333 1.00 0.00 O ATOM 434 CB VAL A 31 -11.348 7.089 4.857 1.00 0.00 C ATOM 435 CG1 VAL A 31 -12.778 7.412 4.453 1.00 0.00 C ATOM 436 CG2 VAL A 31 -10.779 8.180 5.752 1.00 0.00 C ATOM 0 H VAL A 31 -13.111 5.015 4.825 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.260 5.343 5.509 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.743 7.041 3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.805 8.382 3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -13.146 6.644 3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.409 7.442 5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.835 9.139 5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.355 8.230 6.676 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.739 7.954 5.985 1.00 0.00 H new ATOM 446 N LEU A 32 -10.859 5.356 7.922 1.00 0.00 N ATOM 447 CA LEU A 32 -11.123 5.452 9.353 1.00 0.00 C ATOM 448 C LEU A 32 -11.462 6.886 9.749 1.00 0.00 C ATOM 449 O LEU A 32 -12.589 7.181 10.146 1.00 0.00 O ATOM 450 CB LEU A 32 -9.911 4.965 10.149 1.00 0.00 C ATOM 451 CG LEU A 32 -9.180 3.748 9.580 1.00 0.00 C ATOM 452 CD1 LEU A 32 -8.146 3.235 10.571 1.00 0.00 C ATOM 453 CD2 LEU A 32 -10.170 2.650 9.223 1.00 0.00 C ATOM 0 H LEU A 32 -10.009 4.845 7.684 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.980 4.818 9.583 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.199 5.787 10.229 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.238 4.727 11.161 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.662 4.052 8.670 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.636 2.369 10.149 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.418 4.020 10.777 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.642 2.948 11.498 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.632 1.792 8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.717 2.348 10.117 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.872 3.022 8.477 1.00 0.00 H new ATOM 465 N SER A 33 -10.480 7.774 9.635 1.00 0.00 N ATOM 466 CA SER A 33 -10.673 9.177 9.982 1.00 0.00 C ATOM 467 C SER A 33 -9.823 10.079 9.093 1.00 0.00 C ATOM 468 O SER A 33 -8.619 9.868 8.948 1.00 0.00 O ATOM 469 CB SER A 33 -10.323 9.413 11.453 1.00 0.00 C ATOM 470 OG SER A 33 -11.387 9.016 12.301 1.00 0.00 O ATOM 0 H SER A 33 -9.542 7.547 9.305 1.00 0.00 H new ATOM 0 HA SER A 33 -11.722 9.425 9.822 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.422 8.856 11.710 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.101 10.468 11.612 1.00 0.00 H new ATOM 0 HG SER A 33 -12.026 8.474 11.792 1.00 0.00 H new ATOM 476 N ARG A 34 -10.458 11.085 8.502 1.00 0.00 N ATOM 477 CA ARG A 34 -9.761 12.020 7.626 1.00 0.00 C ATOM 478 C ARG A 34 -10.009 13.461 8.061 1.00 0.00 C ATOM 479 O ARG A 34 -11.149 13.860 8.299 1.00 0.00 O ATOM 480 CB ARG A 34 -10.213 11.828 6.177 1.00 0.00 C ATOM 481 CG ARG A 34 -11.711 11.992 5.980 1.00 0.00 C ATOM 482 CD ARG A 34 -12.077 13.432 5.657 1.00 0.00 C ATOM 483 NE ARG A 34 -13.410 13.780 6.139 1.00 0.00 N ATOM 484 CZ ARG A 34 -13.892 15.018 6.139 1.00 0.00 C ATOM 485 NH1 ARG A 34 -13.153 16.020 5.684 1.00 0.00 N ATOM 486 NH2 ARG A 34 -15.116 15.255 6.594 1.00 0.00 N ATOM 0 H ARG A 34 -11.454 11.274 8.613 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.692 11.817 7.696 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -9.691 12.546 5.544 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.918 10.834 5.842 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -12.046 11.341 5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.234 11.676 6.883 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.343 14.102 6.106 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.030 13.585 4.579 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.004 13.031 6.495 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.212 15.841 5.333 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.525 16.970 5.685 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.688 14.486 6.944 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -15.485 16.206 6.594 1.00 0.00 H new ATOM 500 N SER A 35 -8.934 14.236 8.163 1.00 0.00 N ATOM 501 CA SER A 35 -9.035 15.632 8.574 1.00 0.00 C ATOM 502 C SER A 35 -8.453 16.555 7.508 1.00 0.00 C ATOM 503 O SER A 35 -7.773 16.105 6.586 1.00 0.00 O ATOM 504 CB SER A 35 -8.309 15.848 9.903 1.00 0.00 C ATOM 505 OG SER A 35 -8.462 14.726 10.756 1.00 0.00 O ATOM 0 H SER A 35 -7.984 13.921 7.967 1.00 0.00 H new ATOM 0 HA SER A 35 -10.091 15.872 8.701 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.250 16.026 9.718 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.701 16.739 10.394 1.00 0.00 H new ATOM 0 HG SER A 35 -7.988 14.888 11.598 1.00 0.00 H new ATOM 511 N GLU A 36 -8.725 17.849 7.642 1.00 0.00 N ATOM 512 CA GLU A 36 -8.229 18.836 6.690 1.00 0.00 C ATOM 513 C GLU A 36 -6.715 18.990 6.805 1.00 0.00 C ATOM 514 O GLU A 36 -5.974 18.662 5.878 1.00 0.00 O ATOM 515 CB GLU A 36 -8.909 20.187 6.921 1.00 0.00 C ATOM 516 CG GLU A 36 -10.401 20.175 6.631 1.00 0.00 C ATOM 517 CD GLU A 36 -10.716 19.745 5.211 1.00 0.00 C ATOM 518 OE1 GLU A 36 -10.613 18.535 4.921 1.00 0.00 O ATOM 519 OE2 GLU A 36 -11.064 20.620 4.391 1.00 0.00 O ATOM 0 H GLU A 36 -9.286 18.238 8.400 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.466 18.485 5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.751 20.492 7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.431 20.937 6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.898 19.501 7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.809 21.171 6.804 1.00 0.00 H new ATOM 526 N THR A 37 -6.263 19.493 7.949 1.00 0.00 N ATOM 527 CA THR A 37 -4.838 19.693 8.186 1.00 0.00 C ATOM 528 C THR A 37 -4.303 18.689 9.200 1.00 0.00 C ATOM 529 O THR A 37 -3.170 18.223 9.087 1.00 0.00 O ATOM 530 CB THR A 37 -4.548 21.120 8.690 1.00 0.00 C ATOM 531 OG1 THR A 37 -3.137 21.303 8.854 1.00 0.00 O ATOM 532 CG2 THR A 37 -5.255 21.382 10.010 1.00 0.00 C ATOM 0 H THR A 37 -6.863 19.770 8.726 1.00 0.00 H new ATOM 0 HA THR A 37 -4.334 19.543 7.231 1.00 0.00 H new ATOM 0 HB THR A 37 -4.923 21.827 7.950 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.960 22.213 9.173 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.035 22.395 10.346 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.331 21.270 9.875 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.907 20.669 10.757 1.00 0.00 H new ATOM 540 N ASP A 38 -5.126 18.360 10.190 1.00 0.00 N ATOM 541 CA ASP A 38 -4.735 17.409 11.224 1.00 0.00 C ATOM 542 C ASP A 38 -4.174 16.133 10.605 1.00 0.00 C ATOM 543 O ASP A 38 -3.470 15.369 11.263 1.00 0.00 O ATOM 544 CB ASP A 38 -5.931 17.074 12.117 1.00 0.00 C ATOM 545 CG ASP A 38 -6.227 18.168 13.124 1.00 0.00 C ATOM 546 OD1 ASP A 38 -5.413 18.355 14.053 1.00 0.00 O ATOM 547 OD2 ASP A 38 -7.271 18.838 12.982 1.00 0.00 O ATOM 0 H ASP A 38 -6.067 18.738 10.298 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.956 17.870 11.831 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.811 16.910 11.495 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.736 16.141 12.646 1.00 0.00 H new ATOM 552 N GLY A 39 -4.492 15.908 9.333 1.00 0.00 N ATOM 553 CA GLY A 39 -4.012 14.723 8.647 1.00 0.00 C ATOM 554 C GLY A 39 -5.139 13.899 8.056 1.00 0.00 C ATOM 555 O GLY A 39 -6.312 14.251 8.188 1.00 0.00 O ATOM 0 H GLY A 39 -5.073 16.525 8.766 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.327 15.019 7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.444 14.108 9.345 1.00 0.00 H new ATOM 559 N THR A 40 -4.784 12.798 7.401 1.00 0.00 N ATOM 560 CA THR A 40 -5.774 11.923 6.786 1.00 0.00 C ATOM 561 C THR A 40 -5.350 10.462 6.879 1.00 0.00 C ATOM 562 O THR A 40 -4.346 10.058 6.291 1.00 0.00 O ATOM 563 CB THR A 40 -6.002 12.286 5.306 1.00 0.00 C ATOM 564 OG1 THR A 40 -6.199 13.698 5.173 1.00 0.00 O ATOM 565 CG2 THR A 40 -7.208 11.546 4.747 1.00 0.00 C ATOM 0 H THR A 40 -3.818 12.491 7.283 1.00 0.00 H new ATOM 0 HA THR A 40 -6.705 12.064 7.335 1.00 0.00 H new ATOM 0 HB THR A 40 -5.119 11.988 4.741 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.749 14.023 5.916 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.349 11.818 3.701 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.043 10.471 4.823 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.097 11.818 5.316 1.00 0.00 H new ATOM 573 N VAL A 41 -6.120 9.672 7.620 1.00 0.00 N ATOM 574 CA VAL A 41 -5.825 8.255 7.789 1.00 0.00 C ATOM 575 C VAL A 41 -6.963 7.389 7.259 1.00 0.00 C ATOM 576 O VAL A 41 -8.125 7.589 7.613 1.00 0.00 O ATOM 577 CB VAL A 41 -5.574 7.905 9.268 1.00 0.00 C ATOM 578 CG1 VAL A 41 -5.200 6.438 9.414 1.00 0.00 C ATOM 579 CG2 VAL A 41 -4.491 8.801 9.850 1.00 0.00 C ATOM 0 H VAL A 41 -6.954 9.990 8.113 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.920 8.051 7.217 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.495 8.077 9.826 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.027 6.210 10.466 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.012 5.816 9.037 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.293 6.235 8.844 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.326 8.540 10.895 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.565 8.663 9.291 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.805 9.843 9.781 1.00 0.00 H new ATOM 589 N PHE A 42 -6.621 6.427 6.410 1.00 0.00 N ATOM 590 CA PHE A 42 -7.615 5.530 5.830 1.00 0.00 C ATOM 591 C PHE A 42 -7.034 4.134 5.627 1.00 0.00 C ATOM 592 O PHE A 42 -5.855 3.980 5.309 1.00 0.00 O ATOM 593 CB PHE A 42 -8.117 6.085 4.496 1.00 0.00 C ATOM 594 CG PHE A 42 -7.028 6.285 3.481 1.00 0.00 C ATOM 595 CD1 PHE A 42 -6.502 5.206 2.788 1.00 0.00 C ATOM 596 CD2 PHE A 42 -6.530 7.551 3.220 1.00 0.00 C ATOM 597 CE1 PHE A 42 -5.499 5.387 1.855 1.00 0.00 C ATOM 598 CE2 PHE A 42 -5.527 7.738 2.287 1.00 0.00 C ATOM 599 CZ PHE A 42 -5.012 6.654 1.603 1.00 0.00 C ATOM 0 H PHE A 42 -5.664 6.248 6.108 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.453 5.459 6.524 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.864 5.404 4.087 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.617 7.037 4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.880 4.213 2.979 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.930 8.402 3.752 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.096 4.538 1.323 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.147 8.730 2.093 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.230 6.797 0.872 1.00 0.00 H new ATOM 609 N ARG A 43 -7.872 3.118 5.813 1.00 0.00 N ATOM 610 CA ARG A 43 -7.442 1.734 5.652 1.00 0.00 C ATOM 611 C ARG A 43 -8.281 1.024 4.594 1.00 0.00 C ATOM 612 O ARG A 43 -9.480 0.811 4.778 1.00 0.00 O ATOM 613 CB ARG A 43 -7.543 0.989 6.984 1.00 0.00 C ATOM 614 CG ARG A 43 -7.123 -0.470 6.899 1.00 0.00 C ATOM 615 CD ARG A 43 -8.294 -1.367 6.530 1.00 0.00 C ATOM 616 NE ARG A 43 -8.103 -2.737 6.998 1.00 0.00 N ATOM 617 CZ ARG A 43 -9.089 -3.619 7.114 1.00 0.00 C ATOM 618 NH1 ARG A 43 -10.330 -3.276 6.796 1.00 0.00 N ATOM 619 NH2 ARG A 43 -8.836 -4.847 7.547 1.00 0.00 N ATOM 0 H ARG A 43 -8.852 3.228 6.075 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.403 1.738 5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.921 1.495 7.722 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.571 1.042 7.343 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.332 -0.579 6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.708 -0.787 7.856 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.210 -0.962 6.959 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.423 -1.368 5.448 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.160 -3.033 7.250 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.529 -2.333 6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.086 -3.955 6.886 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.883 -5.115 7.792 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.595 -5.523 7.635 1.00 0.00 H new ATOM 633 N ILE A 44 -7.643 0.661 3.486 1.00 0.00 N ATOM 634 CA ILE A 44 -8.331 -0.025 2.400 1.00 0.00 C ATOM 635 C ILE A 44 -7.781 -1.434 2.204 1.00 0.00 C ATOM 636 O ILE A 44 -6.568 -1.648 2.232 1.00 0.00 O ATOM 637 CB ILE A 44 -8.206 0.752 1.075 1.00 0.00 C ATOM 638 CG1 ILE A 44 -6.806 0.574 0.484 1.00 0.00 C ATOM 639 CG2 ILE A 44 -8.511 2.226 1.295 1.00 0.00 C ATOM 640 CD1 ILE A 44 -6.664 -0.667 -0.370 1.00 0.00 C ATOM 0 H ILE A 44 -6.651 0.831 3.317 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.383 -0.084 2.680 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.932 0.353 0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.560 1.449 -0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.080 0.531 1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.419 2.762 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.527 2.335 1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.807 2.639 2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.646 -0.729 -0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.878 -1.550 0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.365 -0.618 -1.203 1.00 0.00 H new ATOM 652 N HIS A 45 -8.680 -2.392 2.003 1.00 0.00 N ATOM 653 CA HIS A 45 -8.284 -3.781 1.799 1.00 0.00 C ATOM 654 C HIS A 45 -8.091 -4.079 0.315 1.00 0.00 C ATOM 655 O HIS A 45 -8.914 -3.697 -0.518 1.00 0.00 O ATOM 656 CB HIS A 45 -9.334 -4.723 2.388 1.00 0.00 C ATOM 657 CG HIS A 45 -8.790 -6.068 2.762 1.00 0.00 C ATOM 658 ND1 HIS A 45 -8.917 -7.181 1.958 1.00 0.00 N ATOM 659 CD2 HIS A 45 -8.111 -6.474 3.860 1.00 0.00 C ATOM 660 CE1 HIS A 45 -8.342 -8.214 2.547 1.00 0.00 C ATOM 661 NE2 HIS A 45 -7.844 -7.812 3.702 1.00 0.00 N ATOM 0 H HIS A 45 -9.687 -2.232 1.977 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.335 -3.942 2.310 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -9.772 -4.259 3.272 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -10.139 -4.854 1.665 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.831 -5.860 4.703 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -8.288 -9.217 2.151 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.343 -8.399 4.368 1.00 0.00 H new ATOM 670 N THR A 46 -6.999 -4.763 -0.009 1.00 0.00 N ATOM 671 CA THR A 46 -6.697 -5.111 -1.392 1.00 0.00 C ATOM 672 C THR A 46 -6.352 -6.589 -1.524 1.00 0.00 C ATOM 673 O THR A 46 -5.960 -7.236 -0.552 1.00 0.00 O ATOM 674 CB THR A 46 -5.527 -4.271 -1.939 1.00 0.00 C ATOM 675 OG1 THR A 46 -5.308 -4.578 -3.320 1.00 0.00 O ATOM 676 CG2 THR A 46 -4.254 -4.536 -1.148 1.00 0.00 C ATOM 0 H THR A 46 -6.308 -5.087 0.668 1.00 0.00 H new ATOM 0 HA THR A 46 -7.593 -4.897 -1.975 1.00 0.00 H new ATOM 0 HB THR A 46 -5.787 -3.217 -1.838 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.564 -4.039 -3.661 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.442 -3.932 -1.552 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.415 -4.275 -0.102 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.993 -5.592 -1.222 1.00 0.00 H new ATOM 684 N LYS A 47 -6.500 -7.120 -2.733 1.00 0.00 N ATOM 685 CA LYS A 47 -6.202 -8.524 -2.995 1.00 0.00 C ATOM 686 C LYS A 47 -5.407 -8.680 -4.287 1.00 0.00 C ATOM 687 O LYS A 47 -5.747 -8.088 -5.311 1.00 0.00 O ATOM 688 CB LYS A 47 -7.498 -9.334 -3.079 1.00 0.00 C ATOM 689 CG LYS A 47 -8.419 -9.134 -1.889 1.00 0.00 C ATOM 690 CD LYS A 47 -9.756 -9.826 -2.096 1.00 0.00 C ATOM 691 CE LYS A 47 -9.651 -11.325 -1.860 1.00 0.00 C ATOM 692 NZ LYS A 47 -9.599 -11.656 -0.409 1.00 0.00 N ATOM 0 H LYS A 47 -6.825 -6.599 -3.548 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.597 -8.902 -2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.030 -9.059 -3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.250 -10.392 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.942 -9.523 -0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.581 -8.068 -1.728 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.496 -9.401 -1.418 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.110 -9.640 -3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.505 -11.825 -2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.757 -11.708 -2.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.647 -12.688 -0.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.710 -11.300 -0.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.404 -11.211 0.078 1.00 0.00 H new ATOM 706 N ALA A 48 -4.348 -9.481 -4.232 1.00 0.00 N ATOM 707 CA ALA A 48 -3.508 -9.717 -5.399 1.00 0.00 C ATOM 708 C ALA A 48 -3.881 -11.025 -6.089 1.00 0.00 C ATOM 709 O ALA A 48 -4.840 -11.691 -5.699 1.00 0.00 O ATOM 710 CB ALA A 48 -2.040 -9.730 -4.998 1.00 0.00 C ATOM 0 H ALA A 48 -4.052 -9.977 -3.392 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.674 -8.904 -6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.424 -9.907 -5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.775 -8.769 -4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.869 -10.523 -4.270 1.00 0.00 H new ATOM 716 N GLU A 49 -3.118 -11.386 -7.116 1.00 0.00 N ATOM 717 CA GLU A 49 -3.371 -12.614 -7.860 1.00 0.00 C ATOM 718 C GLU A 49 -2.721 -13.811 -7.172 1.00 0.00 C ATOM 719 O GLU A 49 -2.453 -14.833 -7.803 1.00 0.00 O ATOM 720 CB GLU A 49 -2.845 -12.487 -9.291 1.00 0.00 C ATOM 721 CG GLU A 49 -3.519 -13.430 -10.274 1.00 0.00 C ATOM 722 CD GLU A 49 -3.290 -13.029 -11.718 1.00 0.00 C ATOM 723 OE1 GLU A 49 -3.961 -12.086 -12.187 1.00 0.00 O ATOM 724 OE2 GLU A 49 -2.438 -13.658 -12.380 1.00 0.00 O ATOM 0 H GLU A 49 -2.320 -10.846 -7.451 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.449 -12.775 -7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.985 -11.461 -9.631 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.772 -12.680 -9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.143 -14.441 -10.118 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.590 -13.454 -10.073 1.00 0.00 H new ATOM 731 N GLY A 50 -2.469 -13.676 -5.874 1.00 0.00 N ATOM 732 CA GLY A 50 -1.852 -14.752 -5.121 1.00 0.00 C ATOM 733 C GLY A 50 -0.749 -15.444 -5.897 1.00 0.00 C ATOM 734 O GLY A 50 -0.151 -14.856 -6.799 1.00 0.00 O ATOM 0 H GLY A 50 -2.681 -12.840 -5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.444 -14.354 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.613 -15.483 -4.847 1.00 0.00 H new ATOM 738 N PHE A 51 -0.476 -16.696 -5.546 1.00 0.00 N ATOM 739 CA PHE A 51 0.565 -17.468 -6.215 1.00 0.00 C ATOM 740 C PHE A 51 -0.045 -18.518 -7.140 1.00 0.00 C ATOM 741 O PHE A 51 0.578 -18.940 -8.113 1.00 0.00 O ATOM 742 CB PHE A 51 1.470 -18.145 -5.183 1.00 0.00 C ATOM 743 CG PHE A 51 1.678 -17.327 -3.941 1.00 0.00 C ATOM 744 CD1 PHE A 51 1.845 -15.954 -4.019 1.00 0.00 C ATOM 745 CD2 PHE A 51 1.707 -17.932 -2.694 1.00 0.00 C ATOM 746 CE1 PHE A 51 2.038 -15.200 -2.878 1.00 0.00 C ATOM 747 CE2 PHE A 51 1.900 -17.182 -1.549 1.00 0.00 C ATOM 748 CZ PHE A 51 2.064 -15.814 -1.641 1.00 0.00 C ATOM 0 H PHE A 51 -0.961 -17.198 -4.802 1.00 0.00 H new ATOM 0 HA PHE A 51 1.161 -16.782 -6.817 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.037 -19.107 -4.907 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.438 -18.351 -5.640 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.824 -15.468 -4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.577 -19.001 -2.616 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.169 -14.131 -2.953 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.922 -17.665 -0.584 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.212 -15.225 -0.748 1.00 0.00 H new ATOM 758 N MET A 52 -1.268 -18.934 -6.827 1.00 0.00 N ATOM 759 CA MET A 52 -1.963 -19.934 -7.629 1.00 0.00 C ATOM 760 C MET A 52 -3.372 -19.466 -7.980 1.00 0.00 C ATOM 761 O MET A 52 -4.356 -19.975 -7.445 1.00 0.00 O ATOM 762 CB MET A 52 -2.027 -21.266 -6.880 1.00 0.00 C ATOM 763 CG MET A 52 -2.283 -21.113 -5.390 1.00 0.00 C ATOM 764 SD MET A 52 -1.646 -22.500 -4.429 1.00 0.00 S ATOM 765 CE MET A 52 -0.208 -21.751 -3.667 1.00 0.00 C ATOM 0 H MET A 52 -1.798 -18.594 -6.024 1.00 0.00 H new ATOM 0 HA MET A 52 -1.404 -20.073 -8.555 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.815 -21.880 -7.315 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.089 -21.801 -7.026 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.821 -20.190 -5.039 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.355 -21.018 -5.217 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.295 -22.486 -3.039 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.477 -21.407 -4.442 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.520 -20.904 -3.056 1.00 0.00 H new ATOM 775 N ASP A 53 -3.460 -18.494 -8.881 1.00 0.00 N ATOM 776 CA ASP A 53 -4.749 -17.957 -9.303 1.00 0.00 C ATOM 777 C ASP A 53 -5.660 -17.722 -8.102 1.00 0.00 C ATOM 778 O ASP A 53 -6.884 -17.767 -8.221 1.00 0.00 O ATOM 779 CB ASP A 53 -5.423 -18.911 -10.291 1.00 0.00 C ATOM 780 CG ASP A 53 -4.986 -18.666 -11.722 1.00 0.00 C ATOM 781 OD1 ASP A 53 -3.808 -18.308 -11.929 1.00 0.00 O ATOM 782 OD2 ASP A 53 -5.823 -18.832 -12.635 1.00 0.00 O ATOM 0 H ASP A 53 -2.654 -18.062 -9.333 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.573 -17.000 -9.795 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.191 -19.939 -10.014 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.505 -18.798 -10.220 1.00 0.00 H new ATOM 787 N ALA A 54 -5.053 -17.472 -6.947 1.00 0.00 N ATOM 788 CA ALA A 54 -5.809 -17.229 -5.724 1.00 0.00 C ATOM 789 C ALA A 54 -5.668 -15.780 -5.270 1.00 0.00 C ATOM 790 O ALA A 54 -4.709 -15.097 -5.631 1.00 0.00 O ATOM 791 CB ALA A 54 -5.352 -18.176 -4.624 1.00 0.00 C ATOM 0 H ALA A 54 -4.040 -17.432 -6.832 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.862 -17.415 -5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.925 -17.983 -3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.511 -19.206 -4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.292 -18.017 -4.424 1.00 0.00 H new ATOM 797 N ASP A 55 -6.629 -15.317 -4.479 1.00 0.00 N ATOM 798 CA ASP A 55 -6.611 -13.948 -3.976 1.00 0.00 C ATOM 799 C ASP A 55 -6.201 -13.915 -2.507 1.00 0.00 C ATOM 800 O ASP A 55 -6.847 -14.529 -1.657 1.00 0.00 O ATOM 801 CB ASP A 55 -7.986 -13.301 -4.149 1.00 0.00 C ATOM 802 CG ASP A 55 -8.713 -13.806 -5.379 1.00 0.00 C ATOM 803 OD1 ASP A 55 -8.087 -13.856 -6.459 1.00 0.00 O ATOM 804 OD2 ASP A 55 -9.908 -14.150 -5.264 1.00 0.00 O ATOM 0 H ASP A 55 -7.430 -15.869 -4.172 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.878 -13.384 -4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.592 -13.500 -3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.869 -12.219 -4.218 1.00 0.00 H new ATOM 809 N ILE A 56 -5.123 -13.195 -2.215 1.00 0.00 N ATOM 810 CA ILE A 56 -4.627 -13.082 -0.849 1.00 0.00 C ATOM 811 C ILE A 56 -5.025 -11.747 -0.228 1.00 0.00 C ATOM 812 O ILE A 56 -4.814 -10.679 -0.804 1.00 0.00 O ATOM 813 CB ILE A 56 -3.094 -13.224 -0.793 1.00 0.00 C ATOM 814 CG1 ILE A 56 -2.671 -14.611 -1.281 1.00 0.00 C ATOM 815 CG2 ILE A 56 -2.591 -12.978 0.621 1.00 0.00 C ATOM 816 CD1 ILE A 56 -3.168 -15.738 -0.403 1.00 0.00 C ATOM 0 H ILE A 56 -4.576 -12.681 -2.906 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.080 -13.894 -0.281 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.650 -12.477 -1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.043 -14.760 -2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.583 -14.653 -1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.506 -13.082 0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.866 -11.971 0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.040 -13.705 1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.831 -16.692 -0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.775 -15.614 0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.257 -15.722 -0.372 1.00 0.00 H new ATOM 828 N PRO A 57 -5.613 -11.806 0.976 1.00 0.00 N ATOM 829 CA PRO A 57 -6.051 -10.611 1.703 1.00 0.00 C ATOM 830 C PRO A 57 -4.878 -9.778 2.208 1.00 0.00 C ATOM 831 O PRO A 57 -4.085 -10.238 3.030 1.00 0.00 O ATOM 832 CB PRO A 57 -6.846 -11.183 2.879 1.00 0.00 C ATOM 833 CG PRO A 57 -6.290 -12.549 3.084 1.00 0.00 C ATOM 834 CD PRO A 57 -5.895 -13.045 1.720 1.00 0.00 C ATOM 0 HA PRO A 57 -6.627 -9.936 1.069 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.728 -10.570 3.772 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.912 -11.219 2.656 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.431 -12.524 3.754 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.030 -13.207 3.539 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.021 -13.694 1.766 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.695 -13.620 1.254 1.00 0.00 H new ATOM 842 N LEU A 58 -4.774 -8.550 1.712 1.00 0.00 N ATOM 843 CA LEU A 58 -3.697 -7.651 2.114 1.00 0.00 C ATOM 844 C LEU A 58 -4.253 -6.413 2.810 1.00 0.00 C ATOM 845 O LEU A 58 -5.320 -5.916 2.453 1.00 0.00 O ATOM 846 CB LEU A 58 -2.870 -7.238 0.895 1.00 0.00 C ATOM 847 CG LEU A 58 -1.769 -8.210 0.470 1.00 0.00 C ATOM 848 CD1 LEU A 58 -1.196 -7.810 -0.881 1.00 0.00 C ATOM 849 CD2 LEU A 58 -0.670 -8.264 1.522 1.00 0.00 C ATOM 0 H LEU A 58 -5.422 -8.154 1.031 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.056 -8.182 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.547 -7.097 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.413 -6.271 1.102 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.205 -9.205 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.414 -8.513 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.988 -7.823 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.775 -6.807 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.105 -8.961 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.237 -7.272 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.090 -8.598 2.470 1.00 0.00 H new ATOM 861 N GLU A 59 -3.520 -5.919 3.803 1.00 0.00 N ATOM 862 CA GLU A 59 -3.940 -4.738 4.547 1.00 0.00 C ATOM 863 C GLU A 59 -2.960 -3.587 4.339 1.00 0.00 C ATOM 864 O GLU A 59 -1.846 -3.603 4.864 1.00 0.00 O ATOM 865 CB GLU A 59 -4.055 -5.061 6.039 1.00 0.00 C ATOM 866 CG GLU A 59 -5.066 -4.197 6.773 1.00 0.00 C ATOM 867 CD GLU A 59 -4.899 -4.256 8.279 1.00 0.00 C ATOM 868 OE1 GLU A 59 -5.329 -5.260 8.884 1.00 0.00 O ATOM 869 OE2 GLU A 59 -4.339 -3.298 8.852 1.00 0.00 O ATOM 0 H GLU A 59 -2.633 -6.318 4.110 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.917 -4.433 4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.333 -6.109 6.155 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.078 -4.937 6.505 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.965 -3.164 6.440 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.073 -4.520 6.510 1.00 0.00 H new ATOM 876 N LEU A 60 -3.382 -2.590 3.570 1.00 0.00 N ATOM 877 CA LEU A 60 -2.543 -1.430 3.291 1.00 0.00 C ATOM 878 C LEU A 60 -3.130 -0.169 3.916 1.00 0.00 C ATOM 879 O LEU A 60 -4.137 0.360 3.444 1.00 0.00 O ATOM 880 CB LEU A 60 -2.388 -1.239 1.781 1.00 0.00 C ATOM 881 CG LEU A 60 -1.232 -1.994 1.124 1.00 0.00 C ATOM 882 CD1 LEU A 60 -1.569 -2.337 -0.319 1.00 0.00 C ATOM 883 CD2 LEU A 60 0.048 -1.174 1.194 1.00 0.00 C ATOM 0 H LEU A 60 -4.301 -2.561 3.128 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.562 -1.609 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.316 -1.546 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.261 -0.175 1.581 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.075 -2.925 1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.734 -2.874 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.460 -2.964 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.754 -1.419 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.860 -1.726 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.097 -0.227 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.299 -0.980 2.237 1.00 0.00 H new ATOM 895 N VAL A 61 -2.494 0.309 4.981 1.00 0.00 N ATOM 896 CA VAL A 61 -2.951 1.509 5.670 1.00 0.00 C ATOM 897 C VAL A 61 -2.030 2.690 5.386 1.00 0.00 C ATOM 898 O VAL A 61 -0.949 2.801 5.965 1.00 0.00 O ATOM 899 CB VAL A 61 -3.030 1.288 7.192 1.00 0.00 C ATOM 900 CG1 VAL A 61 -3.254 2.608 7.913 1.00 0.00 C ATOM 901 CG2 VAL A 61 -4.131 0.293 7.529 1.00 0.00 C ATOM 0 H VAL A 61 -1.660 -0.117 5.385 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.949 1.730 5.291 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.081 0.874 7.531 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.307 2.431 8.987 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.428 3.285 7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.188 3.055 7.572 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.173 0.149 8.609 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.088 0.677 7.177 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.921 -0.660 7.043 1.00 0.00 H new ATOM 911 N PHE A 62 -2.465 3.572 4.492 1.00 0.00 N ATOM 912 CA PHE A 62 -1.679 4.745 4.130 1.00 0.00 C ATOM 913 C PHE A 62 -2.118 5.964 4.937 1.00 0.00 C ATOM 914 O PHE A 62 -3.311 6.248 5.054 1.00 0.00 O ATOM 915 CB PHE A 62 -1.814 5.035 2.634 1.00 0.00 C ATOM 916 CG PHE A 62 -1.185 3.986 1.762 1.00 0.00 C ATOM 917 CD1 PHE A 62 0.183 3.768 1.794 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.962 3.219 0.909 1.00 0.00 C ATOM 919 CE1 PHE A 62 0.764 2.805 0.992 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.387 2.253 0.105 1.00 0.00 C ATOM 921 CZ PHE A 62 -0.022 2.045 0.147 1.00 0.00 C ATOM 0 H PHE A 62 -3.358 3.496 4.005 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.634 4.536 4.359 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.871 5.120 2.382 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.356 6.000 2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.802 4.358 2.454 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.030 3.378 0.872 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.832 2.646 1.025 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.004 1.662 -0.555 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.430 1.290 -0.479 1.00 0.00 H new ATOM 931 N HIS A 63 -1.146 6.681 5.492 1.00 0.00 N ATOM 932 CA HIS A 63 -1.432 7.869 6.289 1.00 0.00 C ATOM 933 C HIS A 63 -0.759 9.099 5.688 1.00 0.00 C ATOM 934 O HIS A 63 0.434 9.081 5.382 1.00 0.00 O ATOM 935 CB HIS A 63 -0.961 7.668 7.730 1.00 0.00 C ATOM 936 CG HIS A 63 -0.622 8.946 8.433 1.00 0.00 C ATOM 937 ND1 HIS A 63 0.465 9.079 9.270 1.00 0.00 N ATOM 938 CD2 HIS A 63 -1.233 10.154 8.418 1.00 0.00 C ATOM 939 CE1 HIS A 63 0.508 10.312 9.741 1.00 0.00 C ATOM 940 NE2 HIS A 63 -0.512 10.985 9.239 1.00 0.00 N ATOM 0 H HIS A 63 -0.154 6.460 5.405 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.510 8.028 6.287 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.740 7.151 8.290 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.085 7.019 7.730 1.00 0.00 H new ATOM 0 HD1 HIS A 63 1.132 8.340 9.491 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.122 10.415 7.863 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.250 10.703 10.421 1.00 0.00 H new ATOM 949 N LEU A 64 -1.531 10.168 5.522 1.00 0.00 N ATOM 950 CA LEU A 64 -1.010 11.408 4.957 1.00 0.00 C ATOM 951 C LEU A 64 -0.840 12.469 6.039 1.00 0.00 C ATOM 952 O LEU A 64 -1.781 13.174 6.406 1.00 0.00 O ATOM 953 CB LEU A 64 -1.945 11.925 3.862 1.00 0.00 C ATOM 954 CG LEU A 64 -2.691 10.859 3.058 1.00 0.00 C ATOM 955 CD1 LEU A 64 -3.619 11.508 2.043 1.00 0.00 C ATOM 956 CD2 LEU A 64 -1.706 9.929 2.364 1.00 0.00 C ATOM 0 H LEU A 64 -2.520 10.201 5.771 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.033 11.198 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.680 12.585 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.361 12.531 3.170 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.295 10.268 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.141 10.734 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.346 12.132 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.036 12.123 1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.254 9.177 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.076 10.506 1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.082 9.437 3.110 1.00 0.00 H new ATOM 968 N PRO A 65 0.390 12.590 6.562 1.00 0.00 N ATOM 969 CA PRO A 65 0.713 13.565 7.607 1.00 0.00 C ATOM 970 C PRO A 65 0.686 14.999 7.090 1.00 0.00 C ATOM 971 O PRO A 65 0.347 15.246 5.932 1.00 0.00 O ATOM 972 CB PRO A 65 2.132 13.176 8.029 1.00 0.00 C ATOM 973 CG PRO A 65 2.707 12.490 6.837 1.00 0.00 C ATOM 974 CD PRO A 65 1.558 11.783 6.172 1.00 0.00 C ATOM 0 HA PRO A 65 -0.010 13.543 8.422 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.718 14.053 8.302 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.120 12.517 8.897 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.169 13.208 6.159 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.483 11.783 7.130 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.680 11.749 5.089 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.467 10.752 6.515 1.00 0.00 H new ATOM 982 N VAL A 66 1.045 15.943 7.955 1.00 0.00 N ATOM 983 CA VAL A 66 1.064 17.353 7.585 1.00 0.00 C ATOM 984 C VAL A 66 2.326 17.700 6.804 1.00 0.00 C ATOM 985 O VAL A 66 2.347 18.656 6.031 1.00 0.00 O ATOM 986 CB VAL A 66 0.975 18.260 8.826 1.00 0.00 C ATOM 987 CG1 VAL A 66 -0.197 17.850 9.705 1.00 0.00 C ATOM 988 CG2 VAL A 66 2.279 18.220 9.609 1.00 0.00 C ATOM 0 H VAL A 66 1.327 15.756 8.917 1.00 0.00 H new ATOM 0 HA VAL A 66 0.192 17.526 6.955 1.00 0.00 H new ATOM 0 HB VAL A 66 0.808 19.285 8.494 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.244 18.502 10.577 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.124 17.935 9.138 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.064 16.818 10.031 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.199 18.867 10.483 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.479 17.198 9.931 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.095 18.567 8.975 1.00 0.00 H new ATOM 998 N ASN A 67 3.379 16.915 7.013 1.00 0.00 N ATOM 999 CA ASN A 67 4.647 17.139 6.328 1.00 0.00 C ATOM 1000 C ASN A 67 4.616 16.553 4.920 1.00 0.00 C ATOM 1001 O ASN A 67 5.184 17.121 3.987 1.00 0.00 O ATOM 1002 CB ASN A 67 5.797 16.519 7.125 1.00 0.00 C ATOM 1003 CG ASN A 67 6.376 17.480 8.146 1.00 0.00 C ATOM 1004 OD1 ASN A 67 5.749 17.771 9.165 1.00 0.00 O ATOM 1005 ND2 ASN A 67 7.577 17.977 7.876 1.00 0.00 N ATOM 0 H ASN A 67 3.379 16.119 7.651 1.00 0.00 H new ATOM 0 HA ASN A 67 4.805 18.215 6.251 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.441 15.623 7.634 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.583 16.205 6.439 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.017 18.629 8.526 1.00 0.00 H new ATOM 0 HD22 ASN A 67 8.060 17.707 7.019 1.00 0.00 H new ATOM 1012 N TYR A 68 3.948 15.414 4.774 1.00 0.00 N ATOM 1013 CA TYR A 68 3.845 14.750 3.480 1.00 0.00 C ATOM 1014 C TYR A 68 3.529 15.754 2.376 1.00 0.00 C ATOM 1015 O TYR A 68 2.833 16.747 2.585 1.00 0.00 O ATOM 1016 CB TYR A 68 2.765 13.667 3.524 1.00 0.00 C ATOM 1017 CG TYR A 68 2.194 13.326 2.166 1.00 0.00 C ATOM 1018 CD1 TYR A 68 1.383 14.225 1.485 1.00 0.00 C ATOM 1019 CD2 TYR A 68 2.466 12.103 1.564 1.00 0.00 C ATOM 1020 CE1 TYR A 68 0.859 13.917 0.245 1.00 0.00 C ATOM 1021 CE2 TYR A 68 1.948 11.787 0.323 1.00 0.00 C ATOM 1022 CZ TYR A 68 1.144 12.697 -0.332 1.00 0.00 C ATOM 1023 OH TYR A 68 0.625 12.386 -1.568 1.00 0.00 O ATOM 0 H TYR A 68 3.470 14.932 5.535 1.00 0.00 H new ATOM 0 HA TYR A 68 4.807 14.287 3.260 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.185 12.765 3.969 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.957 13.998 4.176 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.158 15.182 1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.093 11.388 2.075 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.230 14.627 -0.270 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.171 10.833 -0.132 1.00 0.00 H new ATOM 0 HH TYR A 68 0.923 11.490 -1.832 1.00 0.00 H new ATOM 1033 N PRO A 69 4.053 15.490 1.170 1.00 0.00 N ATOM 1034 CA PRO A 69 4.884 14.310 0.909 1.00 0.00 C ATOM 1035 C PRO A 69 6.246 14.399 1.590 1.00 0.00 C ATOM 1036 O PRO A 69 6.961 13.403 1.699 1.00 0.00 O ATOM 1037 CB PRO A 69 5.046 14.320 -0.613 1.00 0.00 C ATOM 1038 CG PRO A 69 4.868 15.747 -1.004 1.00 0.00 C ATOM 1039 CD PRO A 69 3.875 16.322 -0.032 1.00 0.00 C ATOM 0 HA PRO A 69 4.431 13.398 1.297 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.027 13.948 -0.909 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.304 13.682 -1.094 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.815 16.285 -0.959 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.504 15.829 -2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 69 4.076 17.373 0.174 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.856 16.262 -0.415 1.00 0.00 H new ATOM 1047 N SER A 70 6.597 15.596 2.046 1.00 0.00 N ATOM 1048 CA SER A 70 7.875 15.815 2.714 1.00 0.00 C ATOM 1049 C SER A 70 8.270 14.597 3.543 1.00 0.00 C ATOM 1050 O SER A 70 9.421 14.160 3.516 1.00 0.00 O ATOM 1051 CB SER A 70 7.802 17.054 3.608 1.00 0.00 C ATOM 1052 OG SER A 70 9.097 17.556 3.891 1.00 0.00 O ATOM 0 H SER A 70 6.015 16.430 1.965 1.00 0.00 H new ATOM 0 HA SER A 70 8.635 15.973 1.949 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.209 17.826 3.118 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.294 16.805 4.539 1.00 0.00 H new ATOM 0 HG SER A 70 9.023 18.349 4.462 1.00 0.00 H new ATOM 1058 N CYS A 71 7.307 14.054 4.280 1.00 0.00 N ATOM 1059 CA CYS A 71 7.553 12.887 5.120 1.00 0.00 C ATOM 1060 C CYS A 71 6.947 11.633 4.498 1.00 0.00 C ATOM 1061 O CYS A 71 6.005 11.711 3.709 1.00 0.00 O ATOM 1062 CB CYS A 71 6.975 13.107 6.518 1.00 0.00 C ATOM 1063 SG CYS A 71 7.458 11.849 7.724 1.00 0.00 S ATOM 0 H CYS A 71 6.349 14.403 4.313 1.00 0.00 H new ATOM 0 HA CYS A 71 8.631 12.748 5.199 1.00 0.00 H new ATOM 0 HB2 CYS A 71 7.293 14.084 6.881 1.00 0.00 H new ATOM 0 HB3 CYS A 71 5.887 13.131 6.450 1.00 0.00 H new ATOM 0 HG CYS A 71 6.921 12.123 8.876 1.00 0.00 H new ATOM 1069 N LEU A 72 7.495 10.477 4.857 1.00 0.00 N ATOM 1070 CA LEU A 72 7.010 9.205 4.333 1.00 0.00 C ATOM 1071 C LEU A 72 5.708 8.796 5.015 1.00 0.00 C ATOM 1072 O LEU A 72 5.526 8.978 6.218 1.00 0.00 O ATOM 1073 CB LEU A 72 8.066 8.115 4.527 1.00 0.00 C ATOM 1074 CG LEU A 72 9.428 8.378 3.886 1.00 0.00 C ATOM 1075 CD1 LEU A 72 10.511 7.569 4.582 1.00 0.00 C ATOM 1076 CD2 LEU A 72 9.390 8.054 2.399 1.00 0.00 C ATOM 0 H LEU A 72 8.275 10.394 5.509 1.00 0.00 H new ATOM 0 HA LEU A 72 6.817 9.329 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 72 8.213 7.966 5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.673 7.181 4.126 1.00 0.00 H new ATOM 0 HG LEU A 72 9.663 9.436 4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.474 7.769 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.556 7.850 5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.281 6.507 4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.368 8.247 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.132 7.004 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.643 8.678 1.910 1.00 0.00 H new ATOM 1088 N PRO A 73 4.782 8.227 4.229 1.00 0.00 N ATOM 1089 CA PRO A 73 3.482 7.778 4.736 1.00 0.00 C ATOM 1090 C PRO A 73 3.604 6.557 5.642 1.00 0.00 C ATOM 1091 O PRO A 73 4.477 5.713 5.448 1.00 0.00 O ATOM 1092 CB PRO A 73 2.708 7.424 3.464 1.00 0.00 C ATOM 1093 CG PRO A 73 3.758 7.097 2.460 1.00 0.00 C ATOM 1094 CD PRO A 73 4.932 7.979 2.785 1.00 0.00 C ATOM 0 HA PRO A 73 2.998 8.539 5.348 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.041 6.578 3.629 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.089 8.258 3.132 1.00 0.00 H new ATOM 0 HG2 PRO A 73 4.035 6.044 2.514 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.400 7.281 1.447 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.878 7.488 2.558 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.908 8.907 2.213 1.00 0.00 H new ATOM 1102 N GLY A 74 2.721 6.470 6.633 1.00 0.00 N ATOM 1103 CA GLY A 74 2.747 5.349 7.553 1.00 0.00 C ATOM 1104 C GLY A 74 2.059 4.121 6.992 1.00 0.00 C ATOM 1105 O GLY A 74 0.831 4.031 7.002 1.00 0.00 O ATOM 0 H GLY A 74 1.989 7.156 6.814 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.782 5.104 7.793 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.263 5.638 8.486 1.00 0.00 H new ATOM 1109 N ILE A 75 2.850 3.174 6.499 1.00 0.00 N ATOM 1110 CA ILE A 75 2.308 1.947 5.930 1.00 0.00 C ATOM 1111 C ILE A 75 2.323 0.814 6.951 1.00 0.00 C ATOM 1112 O ILE A 75 3.261 0.685 7.737 1.00 0.00 O ATOM 1113 CB ILE A 75 3.098 1.508 4.682 1.00 0.00 C ATOM 1114 CG1 ILE A 75 2.961 2.551 3.572 1.00 0.00 C ATOM 1115 CG2 ILE A 75 2.616 0.148 4.201 1.00 0.00 C ATOM 1116 CD1 ILE A 75 4.131 2.571 2.613 1.00 0.00 C ATOM 0 H ILE A 75 3.868 3.233 6.482 1.00 0.00 H new ATOM 0 HA ILE A 75 1.279 2.161 5.642 1.00 0.00 H new ATOM 0 HB ILE A 75 4.152 1.425 4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.046 2.356 3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.854 3.538 4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.184 -0.148 3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.761 -0.590 4.990 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.557 0.206 3.949 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.965 3.334 1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.046 2.797 3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.226 1.596 2.134 1.00 0.00 H new ATOM 1128 N SER A 76 1.276 -0.005 6.932 1.00 0.00 N ATOM 1129 CA SER A 76 1.167 -1.127 7.858 1.00 0.00 C ATOM 1130 C SER A 76 0.654 -2.373 7.144 1.00 0.00 C ATOM 1131 O SER A 76 -0.514 -2.445 6.760 1.00 0.00 O ATOM 1132 CB SER A 76 0.235 -0.769 9.018 1.00 0.00 C ATOM 1133 OG SER A 76 0.156 -1.830 9.954 1.00 0.00 O ATOM 0 H SER A 76 0.492 0.087 6.286 1.00 0.00 H new ATOM 0 HA SER A 76 2.161 -1.339 8.252 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.596 0.132 9.514 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.760 -0.544 8.633 1.00 0.00 H new ATOM 0 HG SER A 76 -0.718 -1.811 10.397 1.00 0.00 H new ATOM 1139 N ILE A 77 1.535 -3.352 6.969 1.00 0.00 N ATOM 1140 CA ILE A 77 1.171 -4.596 6.302 1.00 0.00 C ATOM 1141 C ILE A 77 0.757 -5.661 7.312 1.00 0.00 C ATOM 1142 O ILE A 77 1.447 -5.891 8.304 1.00 0.00 O ATOM 1143 CB ILE A 77 2.333 -5.138 5.449 1.00 0.00 C ATOM 1144 CG1 ILE A 77 2.824 -4.064 4.476 1.00 0.00 C ATOM 1145 CG2 ILE A 77 1.899 -6.385 4.693 1.00 0.00 C ATOM 1146 CD1 ILE A 77 1.709 -3.383 3.714 1.00 0.00 C ATOM 0 H ILE A 77 2.506 -3.308 7.280 1.00 0.00 H new ATOM 0 HA ILE A 77 0.327 -4.369 5.650 1.00 0.00 H new ATOM 0 HB ILE A 77 3.156 -5.406 6.112 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.386 -3.312 5.031 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.514 -4.518 3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.731 -6.756 4.095 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.592 -7.153 5.403 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.062 -6.141 4.039 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.131 -2.634 3.044 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.161 -4.124 3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.030 -2.900 4.417 1.00 0.00 H new ATOM 1158 N ASN A 78 -0.374 -6.309 7.051 1.00 0.00 N ATOM 1159 CA ASN A 78 -0.880 -7.351 7.936 1.00 0.00 C ATOM 1160 C ASN A 78 -1.772 -8.326 7.175 1.00 0.00 C ATOM 1161 O ASN A 78 -2.793 -7.937 6.609 1.00 0.00 O ATOM 1162 CB ASN A 78 -1.659 -6.729 9.097 1.00 0.00 C ATOM 1163 CG ASN A 78 -0.996 -5.474 9.632 1.00 0.00 C ATOM 1164 OD1 ASN A 78 -0.184 -5.533 10.555 1.00 0.00 O ATOM 1165 ND2 ASN A 78 -1.341 -4.330 9.052 1.00 0.00 N ATOM 0 H ASN A 78 -0.957 -6.130 6.233 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.027 -7.901 8.333 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.670 -6.490 8.766 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.751 -7.459 9.901 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.928 -3.453 9.369 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.019 -4.329 8.290 1.00 0.00 H new ATOM 1172 N SER A 79 -1.379 -9.596 7.166 1.00 0.00 N ATOM 1173 CA SER A 79 -2.142 -10.627 6.471 1.00 0.00 C ATOM 1174 C SER A 79 -2.474 -11.782 7.411 1.00 0.00 C ATOM 1175 O SER A 79 -1.615 -12.263 8.149 1.00 0.00 O ATOM 1176 CB SER A 79 -1.357 -11.146 5.265 1.00 0.00 C ATOM 1177 OG SER A 79 -1.943 -12.326 4.744 1.00 0.00 O ATOM 0 H SER A 79 -0.537 -9.936 7.632 1.00 0.00 H new ATOM 0 HA SER A 79 -3.075 -10.183 6.124 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.325 -10.380 4.491 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.326 -11.347 5.557 1.00 0.00 H new ATOM 0 HG SER A 79 -1.775 -12.376 3.780 1.00 0.00 H new ATOM 1183 N GLU A 80 -3.728 -12.222 7.377 1.00 0.00 N ATOM 1184 CA GLU A 80 -4.175 -13.320 8.226 1.00 0.00 C ATOM 1185 C GLU A 80 -3.509 -14.631 7.816 1.00 0.00 C ATOM 1186 O GLU A 80 -3.446 -15.577 8.600 1.00 0.00 O ATOM 1187 CB GLU A 80 -5.697 -13.464 8.153 1.00 0.00 C ATOM 1188 CG GLU A 80 -6.250 -14.548 9.062 1.00 0.00 C ATOM 1189 CD GLU A 80 -7.734 -14.782 8.856 1.00 0.00 C ATOM 1190 OE1 GLU A 80 -8.092 -15.540 7.930 1.00 0.00 O ATOM 1191 OE2 GLU A 80 -8.538 -14.207 9.620 1.00 0.00 O ATOM 0 H GLU A 80 -4.452 -11.835 6.771 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.888 -13.092 9.252 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.157 -12.511 8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.984 -13.683 7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.711 -15.478 8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.070 -14.272 10.101 1.00 0.00 H new ATOM 1198 N GLN A 81 -3.016 -14.676 6.583 1.00 0.00 N ATOM 1199 CA GLN A 81 -2.356 -15.871 6.069 1.00 0.00 C ATOM 1200 C GLN A 81 -0.857 -15.828 6.349 1.00 0.00 C ATOM 1201 O GLN A 81 -0.319 -16.695 7.040 1.00 0.00 O ATOM 1202 CB GLN A 81 -2.602 -16.007 4.565 1.00 0.00 C ATOM 1203 CG GLN A 81 -3.972 -16.567 4.221 1.00 0.00 C ATOM 1204 CD GLN A 81 -3.982 -17.321 2.906 1.00 0.00 C ATOM 1205 OE1 GLN A 81 -2.929 -17.668 2.368 1.00 0.00 O ATOM 1206 NE2 GLN A 81 -5.173 -17.579 2.379 1.00 0.00 N ATOM 0 H GLN A 81 -3.061 -13.901 5.922 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.778 -16.737 6.579 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.491 -15.029 4.097 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.836 -16.654 4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.299 -17.233 5.020 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.692 -15.750 4.172 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.020 -17.273 2.858 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -5.241 -18.083 1.495 1.00 0.00 H new ATOM 1215 N LEU A 82 -0.188 -14.816 5.809 1.00 0.00 N ATOM 1216 CA LEU A 82 1.250 -14.660 6.001 1.00 0.00 C ATOM 1217 C LEU A 82 1.605 -14.662 7.485 1.00 0.00 C ATOM 1218 O LEU A 82 0.738 -14.491 8.342 1.00 0.00 O ATOM 1219 CB LEU A 82 1.733 -13.362 5.351 1.00 0.00 C ATOM 1220 CG LEU A 82 1.330 -13.152 3.891 1.00 0.00 C ATOM 1221 CD1 LEU A 82 1.557 -11.706 3.478 1.00 0.00 C ATOM 1222 CD2 LEU A 82 2.105 -14.096 2.983 1.00 0.00 C ATOM 0 H LEU A 82 -0.618 -14.091 5.235 1.00 0.00 H new ATOM 0 HA LEU A 82 1.749 -15.505 5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.354 -12.524 5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.821 -13.330 5.415 1.00 0.00 H new ATOM 0 HG LEU A 82 0.268 -13.375 3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.265 -11.575 2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.958 -11.049 4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.612 -11.456 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.805 -13.933 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.173 -13.905 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.892 -15.127 3.264 1.00 0.00 H new ATOM 1234 N THR A 83 2.886 -14.855 7.781 1.00 0.00 N ATOM 1235 CA THR A 83 3.357 -14.879 9.160 1.00 0.00 C ATOM 1236 C THR A 83 3.717 -13.478 9.642 1.00 0.00 C ATOM 1237 O THR A 83 3.557 -12.500 8.912 1.00 0.00 O ATOM 1238 CB THR A 83 4.584 -15.796 9.320 1.00 0.00 C ATOM 1239 OG1 THR A 83 5.560 -15.487 8.318 1.00 0.00 O ATOM 1240 CG2 THR A 83 4.184 -17.260 9.211 1.00 0.00 C ATOM 0 H THR A 83 3.617 -14.997 7.084 1.00 0.00 H new ATOM 0 HA THR A 83 2.540 -15.270 9.766 1.00 0.00 H new ATOM 0 HB THR A 83 5.011 -15.625 10.308 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.338 -16.073 8.427 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.067 -17.888 9.327 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.463 -17.499 9.993 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.735 -17.443 8.235 1.00 0.00 H new ATOM 1248 N ARG A 84 4.204 -13.389 10.875 1.00 0.00 N ATOM 1249 CA ARG A 84 4.587 -12.107 11.455 1.00 0.00 C ATOM 1250 C ARG A 84 5.843 -11.560 10.783 1.00 0.00 C ATOM 1251 O ARG A 84 6.035 -10.348 10.697 1.00 0.00 O ATOM 1252 CB ARG A 84 4.822 -12.253 12.959 1.00 0.00 C ATOM 1253 CG ARG A 84 5.054 -10.930 13.671 1.00 0.00 C ATOM 1254 CD ARG A 84 3.742 -10.228 13.982 1.00 0.00 C ATOM 1255 NE ARG A 84 3.136 -10.721 15.216 1.00 0.00 N ATOM 1256 CZ ARG A 84 3.608 -10.446 16.427 1.00 0.00 C ATOM 1257 NH1 ARG A 84 4.684 -9.684 16.566 1.00 0.00 N ATOM 1258 NH2 ARG A 84 3.001 -10.932 17.503 1.00 0.00 N ATOM 0 H ARG A 84 4.343 -14.189 11.492 1.00 0.00 H new ATOM 0 HA ARG A 84 3.771 -11.403 11.289 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.961 -12.750 13.406 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.684 -12.900 13.122 1.00 0.00 H new ATOM 0 HG2 ARG A 84 5.603 -11.105 14.596 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.675 -10.285 13.049 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.916 -9.155 14.067 1.00 0.00 H new ATOM 0 HD3 ARG A 84 3.048 -10.373 13.154 1.00 0.00 H new ATOM 0 HE ARG A 84 2.305 -11.308 15.144 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.152 -9.307 15.742 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.044 -9.475 17.497 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.172 -11.517 17.400 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.364 -10.720 18.432 1.00 0.00 H new ATOM 1272 N ALA A 85 6.695 -12.463 10.309 1.00 0.00 N ATOM 1273 CA ALA A 85 7.931 -12.071 9.644 1.00 0.00 C ATOM 1274 C ALA A 85 7.665 -11.615 8.214 1.00 0.00 C ATOM 1275 O ALA A 85 8.138 -10.560 7.791 1.00 0.00 O ATOM 1276 CB ALA A 85 8.925 -13.224 9.655 1.00 0.00 C ATOM 0 H ALA A 85 6.552 -13.471 10.373 1.00 0.00 H new ATOM 0 HA ALA A 85 8.358 -11.231 10.192 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.844 -12.917 9.155 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.148 -13.502 10.685 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.496 -14.079 9.133 1.00 0.00 H new ATOM 1282 N GLN A 86 6.904 -12.416 7.474 1.00 0.00 N ATOM 1283 CA GLN A 86 6.577 -12.093 6.090 1.00 0.00 C ATOM 1284 C GLN A 86 5.989 -10.690 5.983 1.00 0.00 C ATOM 1285 O GLN A 86 6.473 -9.861 5.209 1.00 0.00 O ATOM 1286 CB GLN A 86 5.590 -13.116 5.526 1.00 0.00 C ATOM 1287 CG GLN A 86 6.220 -14.466 5.222 1.00 0.00 C ATOM 1288 CD GLN A 86 7.507 -14.345 4.431 1.00 0.00 C ATOM 1289 OE1 GLN A 86 7.581 -13.600 3.453 1.00 0.00 O ATOM 1290 NE2 GLN A 86 8.532 -15.077 4.852 1.00 0.00 N ATOM 0 H GLN A 86 6.503 -13.292 7.809 1.00 0.00 H new ATOM 0 HA GLN A 86 7.498 -12.127 5.508 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.777 -13.256 6.239 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.148 -12.717 4.613 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.421 -14.988 6.158 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.510 -15.076 4.663 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.427 -15.681 5.667 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.425 -15.035 4.360 1.00 0.00 H new ATOM 1299 N CYS A 87 4.946 -10.429 6.762 1.00 0.00 N ATOM 1300 CA CYS A 87 4.291 -9.126 6.753 1.00 0.00 C ATOM 1301 C CYS A 87 5.307 -8.006 6.952 1.00 0.00 C ATOM 1302 O CYS A 87 5.244 -6.971 6.289 1.00 0.00 O ATOM 1303 CB CYS A 87 3.223 -9.061 7.846 1.00 0.00 C ATOM 1304 SG CYS A 87 3.887 -8.918 9.521 1.00 0.00 S ATOM 0 H CYS A 87 4.535 -11.103 7.408 1.00 0.00 H new ATOM 0 HA CYS A 87 3.815 -8.993 5.781 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.571 -8.209 7.651 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.604 -9.956 7.788 1.00 0.00 H new ATOM 0 HG CYS A 87 4.997 -9.589 9.606 1.00 0.00 H new ATOM 1310 N VAL A 88 6.243 -8.220 7.872 1.00 0.00 N ATOM 1311 CA VAL A 88 7.273 -7.229 8.159 1.00 0.00 C ATOM 1312 C VAL A 88 8.167 -6.998 6.946 1.00 0.00 C ATOM 1313 O VAL A 88 8.586 -5.872 6.674 1.00 0.00 O ATOM 1314 CB VAL A 88 8.147 -7.657 9.353 1.00 0.00 C ATOM 1315 CG1 VAL A 88 9.442 -6.859 9.381 1.00 0.00 C ATOM 1316 CG2 VAL A 88 7.382 -7.494 10.658 1.00 0.00 C ATOM 0 H VAL A 88 6.309 -9.071 8.431 1.00 0.00 H new ATOM 0 HA VAL A 88 6.758 -6.301 8.409 1.00 0.00 H new ATOM 0 HB VAL A 88 8.401 -8.711 9.236 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.046 -7.175 10.231 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.996 -7.032 8.458 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.213 -5.797 9.474 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.014 -7.801 11.491 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.097 -6.450 10.784 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.486 -8.115 10.635 1.00 0.00 H new ATOM 1326 N THR A 89 8.457 -8.072 6.218 1.00 0.00 N ATOM 1327 CA THR A 89 9.302 -7.987 5.033 1.00 0.00 C ATOM 1328 C THR A 89 8.632 -7.165 3.938 1.00 0.00 C ATOM 1329 O THR A 89 9.262 -6.306 3.320 1.00 0.00 O ATOM 1330 CB THR A 89 9.635 -9.385 4.480 1.00 0.00 C ATOM 1331 OG1 THR A 89 10.377 -10.132 5.450 1.00 0.00 O ATOM 1332 CG2 THR A 89 10.436 -9.280 3.191 1.00 0.00 C ATOM 0 H THR A 89 8.119 -9.011 6.428 1.00 0.00 H new ATOM 0 HA THR A 89 10.226 -7.496 5.338 1.00 0.00 H new ATOM 0 HB THR A 89 8.698 -9.900 4.266 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.804 -10.327 6.221 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.660 -10.280 2.819 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.856 -8.737 2.445 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.368 -8.748 3.384 1.00 0.00 H new ATOM 1340 N VAL A 90 7.352 -7.433 3.702 1.00 0.00 N ATOM 1341 CA VAL A 90 6.596 -6.717 2.682 1.00 0.00 C ATOM 1342 C VAL A 90 6.667 -5.210 2.902 1.00 0.00 C ATOM 1343 O VAL A 90 6.938 -4.447 1.975 1.00 0.00 O ATOM 1344 CB VAL A 90 5.119 -7.154 2.667 1.00 0.00 C ATOM 1345 CG1 VAL A 90 4.347 -6.389 1.603 1.00 0.00 C ATOM 1346 CG2 VAL A 90 5.010 -8.654 2.442 1.00 0.00 C ATOM 0 H VAL A 90 6.817 -8.141 4.204 1.00 0.00 H new ATOM 0 HA VAL A 90 7.049 -6.963 1.722 1.00 0.00 H new ATOM 0 HB VAL A 90 4.679 -6.923 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.306 -6.711 1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.397 -5.321 1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.784 -6.586 0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.960 -8.945 2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.465 -8.913 1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.527 -9.181 3.244 1.00 0.00 H new ATOM 1356 N LYS A 91 6.421 -4.786 4.137 1.00 0.00 N ATOM 1357 CA LYS A 91 6.458 -3.370 4.482 1.00 0.00 C ATOM 1358 C LYS A 91 7.833 -2.776 4.197 1.00 0.00 C ATOM 1359 O LYS A 91 7.963 -1.840 3.409 1.00 0.00 O ATOM 1360 CB LYS A 91 6.102 -3.174 5.958 1.00 0.00 C ATOM 1361 CG LYS A 91 6.331 -1.757 6.456 1.00 0.00 C ATOM 1362 CD LYS A 91 6.595 -1.728 7.952 1.00 0.00 C ATOM 1363 CE LYS A 91 7.483 -0.554 8.337 1.00 0.00 C ATOM 1364 NZ LYS A 91 8.929 -0.895 8.233 1.00 0.00 N ATOM 0 H LYS A 91 6.194 -5.404 4.916 1.00 0.00 H new ATOM 0 HA LYS A 91 5.723 -2.852 3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.055 -3.438 6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.695 -3.862 6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.177 -1.317 5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.459 -1.145 6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.649 -1.661 8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.070 -2.661 8.257 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.263 0.295 7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.255 -0.245 9.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.501 -0.069 8.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.145 -1.689 8.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.152 -1.165 7.254 1.00 0.00 H new ATOM 1378 N GLU A 92 8.857 -3.328 4.841 1.00 0.00 N ATOM 1379 CA GLU A 92 10.222 -2.852 4.654 1.00 0.00 C ATOM 1380 C GLU A 92 10.451 -2.408 3.212 1.00 0.00 C ATOM 1381 O GLU A 92 11.015 -1.343 2.960 1.00 0.00 O ATOM 1382 CB GLU A 92 11.223 -3.947 5.028 1.00 0.00 C ATOM 1383 CG GLU A 92 11.212 -4.304 6.505 1.00 0.00 C ATOM 1384 CD GLU A 92 12.126 -3.416 7.327 1.00 0.00 C ATOM 1385 OE1 GLU A 92 13.359 -3.587 7.233 1.00 0.00 O ATOM 1386 OE2 GLU A 92 11.608 -2.551 8.064 1.00 0.00 O ATOM 0 H GLU A 92 8.767 -4.105 5.496 1.00 0.00 H new ATOM 0 HA GLU A 92 10.373 -1.993 5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 92 11.004 -4.842 4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 92 12.225 -3.622 4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 92 10.194 -4.224 6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.517 -5.344 6.626 1.00 0.00 H new ATOM 1393 N LYS A 93 10.011 -3.234 2.269 1.00 0.00 N ATOM 1394 CA LYS A 93 10.167 -2.929 0.851 1.00 0.00 C ATOM 1395 C LYS A 93 9.369 -1.686 0.471 1.00 0.00 C ATOM 1396 O LYS A 93 9.925 -0.709 -0.032 1.00 0.00 O ATOM 1397 CB LYS A 93 9.714 -4.118 0.000 1.00 0.00 C ATOM 1398 CG LYS A 93 10.443 -5.411 0.325 1.00 0.00 C ATOM 1399 CD LYS A 93 11.910 -5.336 -0.063 1.00 0.00 C ATOM 1400 CE LYS A 93 12.630 -6.645 0.225 1.00 0.00 C ATOM 1401 NZ LYS A 93 12.894 -6.823 1.680 1.00 0.00 N ATOM 0 H LYS A 93 9.543 -4.120 2.461 1.00 0.00 H new ATOM 0 HA LYS A 93 11.222 -2.734 0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.644 -4.269 0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.866 -3.880 -1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.358 -5.620 1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.968 -6.240 -0.201 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.995 -5.098 -1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.392 -4.526 0.485 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.029 -7.478 -0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.573 -6.669 -0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.386 -7.726 1.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.488 -6.042 2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.993 -6.826 2.199 1.00 0.00 H new ATOM 1415 N LEU A 94 8.064 -1.728 0.717 1.00 0.00 N ATOM 1416 CA LEU A 94 7.189 -0.604 0.402 1.00 0.00 C ATOM 1417 C LEU A 94 7.811 0.713 0.855 1.00 0.00 C ATOM 1418 O LEU A 94 7.936 1.655 0.071 1.00 0.00 O ATOM 1419 CB LEU A 94 5.824 -0.792 1.066 1.00 0.00 C ATOM 1420 CG LEU A 94 4.799 -1.605 0.275 1.00 0.00 C ATOM 1421 CD1 LEU A 94 4.980 -3.092 0.536 1.00 0.00 C ATOM 1422 CD2 LEU A 94 3.385 -1.168 0.628 1.00 0.00 C ATOM 0 H LEU A 94 7.588 -2.528 1.134 1.00 0.00 H new ATOM 0 HA LEU A 94 7.058 -0.570 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.975 -1.276 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.401 0.192 1.266 1.00 0.00 H new ATOM 0 HG LEU A 94 4.960 -1.422 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.242 -3.654 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.982 -3.395 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.846 -3.294 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.669 -1.757 0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.212 -1.321 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.260 -0.112 0.388 1.00 0.00 H new ATOM 1434 N LEU A 95 8.201 0.771 2.124 1.00 0.00 N ATOM 1435 CA LEU A 95 8.812 1.973 2.682 1.00 0.00 C ATOM 1436 C LEU A 95 10.037 2.387 1.872 1.00 0.00 C ATOM 1437 O LEU A 95 10.129 3.521 1.405 1.00 0.00 O ATOM 1438 CB LEU A 95 9.207 1.737 4.140 1.00 0.00 C ATOM 1439 CG LEU A 95 8.083 1.864 5.169 1.00 0.00 C ATOM 1440 CD1 LEU A 95 7.715 3.325 5.380 1.00 0.00 C ATOM 1441 CD2 LEU A 95 6.866 1.064 4.731 1.00 0.00 C ATOM 0 H LEU A 95 8.105 0.001 2.785 1.00 0.00 H new ATOM 0 HA LEU A 95 8.079 2.779 2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.636 0.739 4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.994 2.445 4.402 1.00 0.00 H new ATOM 0 HG LEU A 95 8.437 1.459 6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.914 3.396 6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.587 3.872 5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.381 3.756 4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.076 1.166 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.511 1.439 3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.138 0.013 4.632 1.00 0.00 H new ATOM 1453 N GLU A 96 10.973 1.458 1.708 1.00 0.00 N ATOM 1454 CA GLU A 96 12.192 1.727 0.953 1.00 0.00 C ATOM 1455 C GLU A 96 11.866 2.349 -0.402 1.00 0.00 C ATOM 1456 O GLU A 96 12.504 3.313 -0.823 1.00 0.00 O ATOM 1457 CB GLU A 96 12.991 0.437 0.755 1.00 0.00 C ATOM 1458 CG GLU A 96 13.912 0.108 1.918 1.00 0.00 C ATOM 1459 CD GLU A 96 15.094 1.053 2.012 1.00 0.00 C ATOM 1460 OE1 GLU A 96 16.098 0.818 1.307 1.00 0.00 O ATOM 1461 OE2 GLU A 96 15.016 2.026 2.791 1.00 0.00 O ATOM 0 H GLU A 96 10.911 0.513 2.087 1.00 0.00 H new ATOM 0 HA GLU A 96 12.794 2.435 1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.298 -0.391 0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.585 0.523 -0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.345 0.148 2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.276 -0.914 1.810 1.00 0.00 H new ATOM 1468 N GLN A 97 10.868 1.788 -1.079 1.00 0.00 N ATOM 1469 CA GLN A 97 10.459 2.287 -2.387 1.00 0.00 C ATOM 1470 C GLN A 97 9.860 3.685 -2.273 1.00 0.00 C ATOM 1471 O GLN A 97 10.199 4.580 -3.046 1.00 0.00 O ATOM 1472 CB GLN A 97 9.444 1.335 -3.024 1.00 0.00 C ATOM 1473 CG GLN A 97 10.082 0.229 -3.848 1.00 0.00 C ATOM 1474 CD GLN A 97 10.311 0.633 -5.291 1.00 0.00 C ATOM 1475 OE1 GLN A 97 11.423 0.993 -5.678 1.00 0.00 O ATOM 1476 NE2 GLN A 97 9.257 0.577 -6.096 1.00 0.00 N ATOM 0 H GLN A 97 10.329 0.989 -0.744 1.00 0.00 H new ATOM 0 HA GLN A 97 11.344 2.341 -3.021 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.836 0.887 -2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.770 1.908 -3.661 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.034 -0.051 -3.398 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.444 -0.654 -3.819 1.00 0.00 H new ATOM 0 HE21 GLN A 97 8.354 0.273 -5.733 1.00 0.00 H new ATOM 0 HE22 GLN A 97 9.350 0.838 -7.078 1.00 0.00 H new ATOM 1485 N ALA A 98 8.969 3.865 -1.304 1.00 0.00 N ATOM 1486 CA ALA A 98 8.324 5.155 -1.089 1.00 0.00 C ATOM 1487 C ALA A 98 9.336 6.293 -1.166 1.00 0.00 C ATOM 1488 O ALA A 98 9.091 7.309 -1.816 1.00 0.00 O ATOM 1489 CB ALA A 98 7.611 5.170 0.255 1.00 0.00 C ATOM 0 H ALA A 98 8.677 3.134 -0.655 1.00 0.00 H new ATOM 0 HA ALA A 98 7.589 5.303 -1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.134 6.139 0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.854 4.386 0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.334 4.996 1.052 1.00 0.00 H new ATOM 1495 N GLU A 99 10.472 6.116 -0.499 1.00 0.00 N ATOM 1496 CA GLU A 99 11.519 7.130 -0.492 1.00 0.00 C ATOM 1497 C GLU A 99 11.729 7.706 -1.890 1.00 0.00 C ATOM 1498 O GLU A 99 11.608 8.913 -2.101 1.00 0.00 O ATOM 1499 CB GLU A 99 12.830 6.538 0.029 1.00 0.00 C ATOM 1500 CG GLU A 99 12.988 6.643 1.537 1.00 0.00 C ATOM 1501 CD GLU A 99 14.380 6.265 2.005 1.00 0.00 C ATOM 1502 OE1 GLU A 99 14.606 5.071 2.292 1.00 0.00 O ATOM 1503 OE2 GLU A 99 15.244 7.164 2.085 1.00 0.00 O ATOM 0 H GLU A 99 10.690 5.280 0.043 1.00 0.00 H new ATOM 0 HA GLU A 99 11.203 7.936 0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.886 5.489 -0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.665 7.047 -0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.767 7.663 1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.257 5.995 2.021 1.00 0.00 H new ATOM 1510 N SER A 100 12.044 6.833 -2.842 1.00 0.00 N ATOM 1511 CA SER A 100 12.275 7.254 -4.219 1.00 0.00 C ATOM 1512 C SER A 100 11.013 7.868 -4.818 1.00 0.00 C ATOM 1513 O SER A 100 11.081 8.662 -5.757 1.00 0.00 O ATOM 1514 CB SER A 100 12.730 6.065 -5.068 1.00 0.00 C ATOM 1515 OG SER A 100 14.136 5.897 -4.997 1.00 0.00 O ATOM 0 H SER A 100 12.145 5.830 -2.685 1.00 0.00 H new ATOM 0 HA SER A 100 13.060 8.010 -4.215 1.00 0.00 H new ATOM 0 HB2 SER A 100 12.234 5.157 -4.724 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.431 6.218 -6.105 1.00 0.00 H new ATOM 0 HG SER A 100 14.402 5.130 -5.546 1.00 0.00 H new ATOM 1521 N LEU A 101 9.863 7.494 -4.269 1.00 0.00 N ATOM 1522 CA LEU A 101 8.584 8.006 -4.748 1.00 0.00 C ATOM 1523 C LEU A 101 8.128 9.199 -3.913 1.00 0.00 C ATOM 1524 O LEU A 101 6.932 9.468 -3.795 1.00 0.00 O ATOM 1525 CB LEU A 101 7.523 6.905 -4.706 1.00 0.00 C ATOM 1526 CG LEU A 101 7.604 5.853 -5.812 1.00 0.00 C ATOM 1527 CD1 LEU A 101 7.019 4.532 -5.336 1.00 0.00 C ATOM 1528 CD2 LEU A 101 6.885 6.336 -7.063 1.00 0.00 C ATOM 0 H LEU A 101 9.790 6.838 -3.492 1.00 0.00 H new ATOM 0 HA LEU A 101 8.716 8.336 -5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.592 6.398 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.540 7.374 -4.749 1.00 0.00 H new ATOM 0 HG LEU A 101 8.654 5.695 -6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.085 3.795 -6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.578 4.178 -4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.974 4.675 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.953 5.574 -7.839 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.837 6.524 -6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.349 7.257 -7.417 1.00 0.00 H new ATOM 1540 N LEU A 102 9.090 9.913 -3.338 1.00 0.00 N ATOM 1541 CA LEU A 102 8.788 11.080 -2.516 1.00 0.00 C ATOM 1542 C LEU A 102 8.164 12.191 -3.355 1.00 0.00 C ATOM 1543 O LEU A 102 8.177 12.135 -4.584 1.00 0.00 O ATOM 1544 CB LEU A 102 10.059 11.592 -1.836 1.00 0.00 C ATOM 1545 CG LEU A 102 10.373 10.996 -0.463 1.00 0.00 C ATOM 1546 CD1 LEU A 102 11.846 11.173 -0.129 1.00 0.00 C ATOM 1547 CD2 LEU A 102 9.500 11.635 0.607 1.00 0.00 C ATOM 0 H LEU A 102 10.085 9.705 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 102 8.070 10.780 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.904 11.397 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 102 9.980 12.674 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 102 10.154 9.929 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.051 10.743 0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.453 10.668 -0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.092 12.235 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.737 11.199 1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.687 12.708 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.450 11.456 0.375 1.00 0.00 H new ATOM 1559 N SER A 103 7.619 13.199 -2.681 1.00 0.00 N ATOM 1560 CA SER A 103 6.988 14.322 -3.364 1.00 0.00 C ATOM 1561 C SER A 103 6.072 13.833 -4.482 1.00 0.00 C ATOM 1562 O SER A 103 5.837 14.541 -5.460 1.00 0.00 O ATOM 1563 CB SER A 103 8.052 15.261 -3.936 1.00 0.00 C ATOM 1564 OG SER A 103 7.466 16.448 -4.442 1.00 0.00 O ATOM 0 H SER A 103 7.602 13.261 -1.663 1.00 0.00 H new ATOM 0 HA SER A 103 6.386 14.866 -2.636 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.776 15.511 -3.160 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.599 14.754 -4.731 1.00 0.00 H new ATOM 0 HG SER A 103 6.763 16.218 -5.085 1.00 0.00 H new ATOM 1570 N GLU A 104 5.557 12.617 -4.327 1.00 0.00 N ATOM 1571 CA GLU A 104 4.667 12.033 -5.324 1.00 0.00 C ATOM 1572 C GLU A 104 3.707 11.038 -4.678 1.00 0.00 C ATOM 1573 O GLU A 104 3.967 10.490 -3.607 1.00 0.00 O ATOM 1574 CB GLU A 104 5.479 11.337 -6.419 1.00 0.00 C ATOM 1575 CG GLU A 104 5.843 12.250 -7.578 1.00 0.00 C ATOM 1576 CD GLU A 104 6.967 11.691 -8.429 1.00 0.00 C ATOM 1577 OE1 GLU A 104 6.808 10.573 -8.961 1.00 0.00 O ATOM 1578 OE2 GLU A 104 8.006 12.371 -8.562 1.00 0.00 O ATOM 0 H GLU A 104 5.740 12.018 -3.522 1.00 0.00 H new ATOM 0 HA GLU A 104 4.084 12.838 -5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.393 10.936 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.909 10.490 -6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.963 12.407 -8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.137 13.225 -7.189 1.00 0.00 H new ATOM 1585 N PRO A 105 2.567 10.799 -5.345 1.00 0.00 N ATOM 1586 CA PRO A 105 1.544 9.870 -4.856 1.00 0.00 C ATOM 1587 C PRO A 105 2.002 8.417 -4.921 1.00 0.00 C ATOM 1588 O PRO A 105 1.910 7.774 -5.966 1.00 0.00 O ATOM 1589 CB PRO A 105 0.369 10.104 -5.808 1.00 0.00 C ATOM 1590 CG PRO A 105 0.992 10.619 -7.060 1.00 0.00 C ATOM 1591 CD PRO A 105 2.191 11.417 -6.627 1.00 0.00 C ATOM 0 HA PRO A 105 1.302 10.045 -3.808 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.182 9.182 -5.991 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.339 10.822 -5.394 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.285 9.799 -7.716 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.291 11.239 -7.618 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.999 11.355 -7.355 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.949 12.473 -6.508 1.00 0.00 H new ATOM 1599 N MET A 106 2.495 7.906 -3.797 1.00 0.00 N ATOM 1600 CA MET A 106 2.965 6.527 -3.727 1.00 0.00 C ATOM 1601 C MET A 106 1.898 5.619 -3.124 1.00 0.00 C ATOM 1602 O MET A 106 2.116 4.420 -2.950 1.00 0.00 O ATOM 1603 CB MET A 106 4.249 6.445 -2.899 1.00 0.00 C ATOM 1604 CG MET A 106 4.094 6.979 -1.484 1.00 0.00 C ATOM 1605 SD MET A 106 4.447 8.743 -1.364 1.00 0.00 S ATOM 1606 CE MET A 106 6.110 8.711 -0.699 1.00 0.00 C ATOM 0 H MET A 106 2.579 8.426 -2.923 1.00 0.00 H new ATOM 0 HA MET A 106 3.174 6.188 -4.742 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.576 5.406 -2.853 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.035 7.005 -3.406 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.077 6.792 -1.139 1.00 0.00 H new ATOM 0 HG3 MET A 106 4.762 6.433 -0.819 1.00 0.00 H new ATOM 0 HE1 MET A 106 6.449 9.731 -0.518 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.116 8.154 0.238 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.778 8.228 -1.412 1.00 0.00 H new ATOM 1616 N VAL A 107 0.745 6.198 -2.807 1.00 0.00 N ATOM 1617 CA VAL A 107 -0.356 5.440 -2.224 1.00 0.00 C ATOM 1618 C VAL A 107 -1.079 4.617 -3.285 1.00 0.00 C ATOM 1619 O VAL A 107 -1.617 3.547 -2.996 1.00 0.00 O ATOM 1620 CB VAL A 107 -1.372 6.368 -1.531 1.00 0.00 C ATOM 1621 CG1 VAL A 107 -2.465 5.554 -0.855 1.00 0.00 C ATOM 1622 CG2 VAL A 107 -0.669 7.270 -0.528 1.00 0.00 C ATOM 0 H VAL A 107 0.549 7.190 -2.944 1.00 0.00 H new ATOM 0 HA VAL A 107 0.079 4.771 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.839 6.998 -2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.173 6.227 -0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.986 4.954 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.020 4.897 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.401 7.919 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.175 6.659 0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.073 7.879 -1.044 1.00 0.00 H new ATOM 1632 N HIS A 108 -1.086 5.122 -4.515 1.00 0.00 N ATOM 1633 CA HIS A 108 -1.742 4.432 -5.620 1.00 0.00 C ATOM 1634 C HIS A 108 -0.795 3.430 -6.274 1.00 0.00 C ATOM 1635 O HIS A 108 -1.181 2.301 -6.572 1.00 0.00 O ATOM 1636 CB HIS A 108 -2.233 5.441 -6.659 1.00 0.00 C ATOM 1637 CG HIS A 108 -3.102 4.835 -7.717 1.00 0.00 C ATOM 1638 ND1 HIS A 108 -3.342 5.442 -8.932 1.00 0.00 N ATOM 1639 CD2 HIS A 108 -3.790 3.670 -7.738 1.00 0.00 C ATOM 1640 CE1 HIS A 108 -4.141 4.676 -9.654 1.00 0.00 C ATOM 1641 NE2 HIS A 108 -4.427 3.594 -8.952 1.00 0.00 N ATOM 0 H HIS A 108 -0.645 6.005 -4.771 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.598 3.888 -5.220 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -2.788 6.231 -6.153 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -1.371 5.911 -7.133 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -2.962 6.341 -9.227 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.831 2.936 -6.947 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -4.499 4.897 -10.649 1.00 0.00 H new ATOM 1650 N GLU A 109 0.446 3.853 -6.494 1.00 0.00 N ATOM 1651 CA GLU A 109 1.447 2.993 -7.114 1.00 0.00 C ATOM 1652 C GLU A 109 1.788 1.813 -6.207 1.00 0.00 C ATOM 1653 O GLU A 109 1.572 0.656 -6.568 1.00 0.00 O ATOM 1654 CB GLU A 109 2.714 3.791 -7.427 1.00 0.00 C ATOM 1655 CG GLU A 109 2.673 4.493 -8.774 1.00 0.00 C ATOM 1656 CD GLU A 109 2.140 3.603 -9.880 1.00 0.00 C ATOM 1657 OE1 GLU A 109 0.906 3.570 -10.071 1.00 0.00 O ATOM 1658 OE2 GLU A 109 2.955 2.940 -10.554 1.00 0.00 O ATOM 0 H GLU A 109 0.782 4.785 -6.252 1.00 0.00 H new ATOM 0 HA GLU A 109 1.030 2.606 -8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 109 2.868 4.534 -6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.572 3.119 -7.403 1.00 0.00 H new ATOM 0 HG2 GLU A 109 2.049 5.383 -8.697 1.00 0.00 H new ATOM 0 HG3 GLU A 109 3.677 4.829 -9.035 1.00 0.00 H new ATOM 1665 N LEU A 110 2.321 2.116 -5.029 1.00 0.00 N ATOM 1666 CA LEU A 110 2.693 1.081 -4.069 1.00 0.00 C ATOM 1667 C LEU A 110 1.723 -0.094 -4.133 1.00 0.00 C ATOM 1668 O LEU A 110 2.126 -1.252 -4.020 1.00 0.00 O ATOM 1669 CB LEU A 110 2.720 1.658 -2.653 1.00 0.00 C ATOM 1670 CG LEU A 110 3.897 2.578 -2.325 1.00 0.00 C ATOM 1671 CD1 LEU A 110 3.606 3.392 -1.074 1.00 0.00 C ATOM 1672 CD2 LEU A 110 5.174 1.770 -2.153 1.00 0.00 C ATOM 0 H LEU A 110 2.506 3.069 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 110 3.689 0.721 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.795 2.212 -2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.724 0.830 -1.945 1.00 0.00 H new ATOM 0 HG LEU A 110 4.037 3.268 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.455 4.041 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.716 4.000 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.438 2.719 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.001 2.441 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.046 1.056 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.392 1.233 -3.076 1.00 0.00 H new ATOM 1684 N VAL A 111 0.443 0.211 -4.317 1.00 0.00 N ATOM 1685 CA VAL A 111 -0.585 -0.821 -4.400 1.00 0.00 C ATOM 1686 C VAL A 111 -0.390 -1.692 -5.636 1.00 0.00 C ATOM 1687 O VAL A 111 -0.065 -2.876 -5.529 1.00 0.00 O ATOM 1688 CB VAL A 111 -1.996 -0.205 -4.437 1.00 0.00 C ATOM 1689 CG1 VAL A 111 -3.056 -1.296 -4.392 1.00 0.00 C ATOM 1690 CG2 VAL A 111 -2.179 0.776 -3.289 1.00 0.00 C ATOM 0 H VAL A 111 0.092 1.164 -4.412 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.489 -1.437 -3.506 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.111 0.342 -5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.047 -0.842 -4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.936 -1.956 -5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.946 -1.873 -3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.182 1.202 -3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.045 0.256 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.442 1.575 -3.372 1.00 0.00 H new ATOM 1700 N LEU A 112 -0.591 -1.101 -6.808 1.00 0.00 N ATOM 1701 CA LEU A 112 -0.436 -1.823 -8.066 1.00 0.00 C ATOM 1702 C LEU A 112 0.957 -2.433 -8.176 1.00 0.00 C ATOM 1703 O LEU A 112 1.211 -3.274 -9.039 1.00 0.00 O ATOM 1704 CB LEU A 112 -0.691 -0.887 -9.249 1.00 0.00 C ATOM 1705 CG LEU A 112 -2.125 -0.380 -9.406 1.00 0.00 C ATOM 1706 CD1 LEU A 112 -2.343 0.874 -8.574 1.00 0.00 C ATOM 1707 CD2 LEU A 112 -2.438 -0.111 -10.871 1.00 0.00 C ATOM 0 H LEU A 112 -0.862 -0.123 -6.914 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.168 -2.630 -8.085 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.030 -0.025 -9.154 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.408 -1.406 -10.165 1.00 0.00 H new ATOM 0 HG LEU A 112 -2.804 -1.153 -9.045 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.369 1.220 -8.699 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.161 0.650 -7.523 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.655 1.653 -8.903 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.463 0.249 -10.964 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.752 0.643 -11.257 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.324 -1.032 -11.443 1.00 0.00 H new ATOM 1719 N TRP A 113 1.856 -2.005 -7.297 1.00 0.00 N ATOM 1720 CA TRP A 113 3.224 -2.510 -7.295 1.00 0.00 C ATOM 1721 C TRP A 113 3.310 -3.843 -6.559 1.00 0.00 C ATOM 1722 O TRP A 113 3.805 -4.831 -7.102 1.00 0.00 O ATOM 1723 CB TRP A 113 4.164 -1.494 -6.646 1.00 0.00 C ATOM 1724 CG TRP A 113 5.592 -1.948 -6.602 1.00 0.00 C ATOM 1725 CD1 TRP A 113 6.488 -1.938 -7.633 1.00 0.00 C ATOM 1726 CD2 TRP A 113 6.286 -2.483 -5.470 1.00 0.00 C ATOM 1727 NE1 TRP A 113 7.697 -2.433 -7.209 1.00 0.00 N ATOM 1728 CE2 TRP A 113 7.600 -2.774 -5.886 1.00 0.00 C ATOM 1729 CE3 TRP A 113 5.927 -2.742 -4.144 1.00 0.00 C ATOM 1730 CZ2 TRP A 113 8.552 -3.311 -5.024 1.00 0.00 C ATOM 1731 CZ3 TRP A 113 6.873 -3.276 -3.290 1.00 0.00 C ATOM 1732 CH2 TRP A 113 8.173 -3.555 -3.732 1.00 0.00 C ATOM 0 H TRP A 113 1.662 -1.309 -6.577 1.00 0.00 H new ATOM 0 HA TRP A 113 3.529 -2.666 -8.330 1.00 0.00 H new ATOM 0 HB2 TRP A 113 4.106 -0.554 -7.195 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.823 -1.292 -5.631 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.277 -1.592 -8.634 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.532 -2.531 -7.786 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.928 -2.529 -3.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 9.554 -3.527 -5.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 6.606 -3.482 -2.264 1.00 0.00 H new ATOM 0 HH2 TRP A 113 8.890 -3.971 -3.039 1.00 0.00 H new ATOM 1743 N ILE A 114 2.826 -3.863 -5.322 1.00 0.00 N ATOM 1744 CA ILE A 114 2.848 -5.076 -4.513 1.00 0.00 C ATOM 1745 C ILE A 114 1.884 -6.121 -5.064 1.00 0.00 C ATOM 1746 O ILE A 114 2.122 -7.323 -4.944 1.00 0.00 O ATOM 1747 CB ILE A 114 2.484 -4.781 -3.046 1.00 0.00 C ATOM 1748 CG1 ILE A 114 2.460 -6.077 -2.234 1.00 0.00 C ATOM 1749 CG2 ILE A 114 1.140 -4.073 -2.966 1.00 0.00 C ATOM 1750 CD1 ILE A 114 3.795 -6.787 -2.187 1.00 0.00 C ATOM 0 H ILE A 114 2.414 -3.054 -4.858 1.00 0.00 H new ATOM 0 HA ILE A 114 3.865 -5.465 -4.555 1.00 0.00 H new ATOM 0 HB ILE A 114 3.244 -4.124 -2.623 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.141 -5.852 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.715 -6.749 -2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.897 -3.871 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.191 -3.133 -3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.368 -4.707 -3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 114 3.702 -7.697 -1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.107 -7.043 -3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.539 -6.133 -1.733 1.00 0.00 H new ATOM 1762 N GLN A 115 0.797 -5.655 -5.670 1.00 0.00 N ATOM 1763 CA GLN A 115 -0.203 -6.550 -6.240 1.00 0.00 C ATOM 1764 C GLN A 115 0.413 -7.438 -7.317 1.00 0.00 C ATOM 1765 O GLN A 115 -0.068 -8.541 -7.574 1.00 0.00 O ATOM 1766 CB GLN A 115 -1.363 -5.745 -6.828 1.00 0.00 C ATOM 1767 CG GLN A 115 -2.452 -5.421 -5.818 1.00 0.00 C ATOM 1768 CD GLN A 115 -1.902 -5.171 -4.428 1.00 0.00 C ATOM 1769 OE1 GLN A 115 -1.577 -4.038 -4.071 1.00 0.00 O ATOM 1770 NE2 GLN A 115 -1.796 -6.229 -3.633 1.00 0.00 N ATOM 0 H GLN A 115 0.586 -4.663 -5.779 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.581 -7.188 -5.441 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.975 -4.815 -7.243 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.801 -6.305 -7.655 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -3.001 -4.540 -6.151 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -3.164 -6.245 -5.780 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -2.077 -7.150 -3.970 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -1.434 -6.121 -2.686 1.00 0.00 H new ATOM 1779 N GLN A 116 1.478 -6.948 -7.943 1.00 0.00 N ATOM 1780 CA GLN A 116 2.158 -7.698 -8.993 1.00 0.00 C ATOM 1781 C GLN A 116 3.464 -8.294 -8.478 1.00 0.00 C ATOM 1782 O GLN A 116 3.745 -9.473 -8.690 1.00 0.00 O ATOM 1783 CB GLN A 116 2.436 -6.794 -10.195 1.00 0.00 C ATOM 1784 CG GLN A 116 1.265 -6.685 -11.158 1.00 0.00 C ATOM 1785 CD GLN A 116 1.622 -5.941 -12.430 1.00 0.00 C ATOM 1786 OE1 GLN A 116 2.796 -5.809 -12.777 1.00 0.00 O ATOM 1787 NE2 GLN A 116 0.609 -5.450 -13.133 1.00 0.00 N ATOM 0 H GLN A 116 1.888 -6.036 -7.742 1.00 0.00 H new ATOM 0 HA GLN A 116 1.505 -8.514 -9.303 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.695 -5.798 -9.837 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.304 -7.176 -10.733 1.00 0.00 H new ATOM 0 HG2 GLN A 116 0.915 -7.685 -11.413 1.00 0.00 H new ATOM 0 HG3 GLN A 116 0.439 -6.175 -10.663 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -0.349 -5.583 -12.808 1.00 0.00 H new ATOM 0 HE22 GLN A 116 0.788 -4.940 -13.998 1.00 0.00 H new ATOM 1796 N ASN A 117 4.257 -7.472 -7.799 1.00 0.00 N ATOM 1797 CA ASN A 117 5.534 -7.918 -7.254 1.00 0.00 C ATOM 1798 C ASN A 117 5.343 -8.579 -5.892 1.00 0.00 C ATOM 1799 O ASN A 117 6.181 -8.442 -5.000 1.00 0.00 O ATOM 1800 CB ASN A 117 6.500 -6.738 -7.130 1.00 0.00 C ATOM 1801 CG ASN A 117 6.733 -6.040 -8.456 1.00 0.00 C ATOM 1802 OD1 ASN A 117 7.450 -6.547 -9.319 1.00 0.00 O ATOM 1803 ND2 ASN A 117 6.128 -4.871 -8.623 1.00 0.00 N ATOM 0 H ASN A 117 4.038 -6.493 -7.613 1.00 0.00 H new ATOM 0 HA ASN A 117 5.956 -8.653 -7.939 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.104 -6.022 -6.410 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.453 -7.092 -6.736 1.00 0.00 H new ATOM 0 HD21 ASN A 117 6.248 -4.354 -9.494 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.543 -4.489 -7.880 1.00 0.00 H new ATOM 1810 N LEU A 118 4.235 -9.295 -5.738 1.00 0.00 N ATOM 1811 CA LEU A 118 3.933 -9.979 -4.485 1.00 0.00 C ATOM 1812 C LEU A 118 4.798 -11.224 -4.322 1.00 0.00 C ATOM 1813 O LEU A 118 5.607 -11.313 -3.398 1.00 0.00 O ATOM 1814 CB LEU A 118 2.453 -10.362 -4.434 1.00 0.00 C ATOM 1815 CG LEU A 118 2.019 -11.206 -3.236 1.00 0.00 C ATOM 1816 CD1 LEU A 118 1.836 -10.332 -2.005 1.00 0.00 C ATOM 1817 CD2 LEU A 118 0.736 -11.961 -3.551 1.00 0.00 C ATOM 0 H LEU A 118 3.530 -9.417 -6.465 1.00 0.00 H new ATOM 0 HA LEU A 118 4.154 -9.296 -3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.861 -9.447 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.208 -10.908 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 118 2.803 -11.934 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 118 1.527 -10.950 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.778 -9.838 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 118 1.072 -9.580 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.443 -12.556 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -0.056 -11.250 -3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 118 0.901 -12.618 -4.405 1.00 0.00 H new ATOM 1829 N ARG A 119 4.624 -12.182 -5.226 1.00 0.00 N ATOM 1830 CA ARG A 119 5.390 -13.422 -5.182 1.00 0.00 C ATOM 1831 C ARG A 119 6.887 -13.139 -5.266 1.00 0.00 C ATOM 1832 O ARG A 119 7.707 -13.940 -4.814 1.00 0.00 O ATOM 1833 CB ARG A 119 4.970 -14.346 -6.327 1.00 0.00 C ATOM 1834 CG ARG A 119 5.251 -13.774 -7.706 1.00 0.00 C ATOM 1835 CD ARG A 119 5.234 -14.857 -8.773 1.00 0.00 C ATOM 1836 NE ARG A 119 4.908 -14.321 -10.092 1.00 0.00 N ATOM 1837 CZ ARG A 119 4.478 -15.068 -11.103 1.00 0.00 C ATOM 1838 NH1 ARG A 119 4.322 -16.375 -10.947 1.00 0.00 N ATOM 1839 NH2 ARG A 119 4.203 -14.507 -12.274 1.00 0.00 N ATOM 0 H ARG A 119 3.960 -12.124 -5.998 1.00 0.00 H new ATOM 0 HA ARG A 119 5.183 -13.914 -4.232 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.492 -15.298 -6.225 1.00 0.00 H new ATOM 0 HB3 ARG A 119 3.904 -14.556 -6.241 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.506 -13.015 -7.945 1.00 0.00 H new ATOM 0 HG3 ARG A 119 6.222 -13.279 -7.705 1.00 0.00 H new ATOM 0 HD2 ARG A 119 6.208 -15.344 -8.810 1.00 0.00 H new ATOM 0 HD3 ARG A 119 4.506 -15.621 -8.502 1.00 0.00 H new ATOM 0 HE ARG A 119 5.016 -13.318 -10.245 1.00 0.00 H new ATOM 0 HH11 ARG A 119 4.532 -16.810 -10.049 1.00 0.00 H new ATOM 0 HH12 ARG A 119 3.992 -16.946 -11.725 1.00 0.00 H new ATOM 0 HH21 ARG A 119 4.322 -13.502 -12.398 1.00 0.00 H new ATOM 0 HH22 ARG A 119 3.873 -15.081 -13.050 1.00 0.00 H new ATOM 1853 N HIS A 120 7.237 -11.996 -5.847 1.00 0.00 N ATOM 1854 CA HIS A 120 8.636 -11.608 -5.990 1.00 0.00 C ATOM 1855 C HIS A 120 9.233 -11.223 -4.640 1.00 0.00 C ATOM 1856 O HIS A 120 10.252 -11.774 -4.222 1.00 0.00 O ATOM 1857 CB HIS A 120 8.765 -10.441 -6.970 1.00 0.00 C ATOM 1858 CG HIS A 120 10.184 -10.062 -7.265 1.00 0.00 C ATOM 1859 ND1 HIS A 120 10.713 -8.827 -6.953 1.00 0.00 N ATOM 1860 CD2 HIS A 120 11.185 -10.763 -7.845 1.00 0.00 C ATOM 1861 CE1 HIS A 120 11.978 -8.785 -7.330 1.00 0.00 C ATOM 1862 NE2 HIS A 120 12.290 -9.947 -7.874 1.00 0.00 N ATOM 0 H HIS A 120 6.572 -11.322 -6.226 1.00 0.00 H new ATOM 0 HA HIS A 120 9.187 -12.463 -6.380 1.00 0.00 H new ATOM 0 HB2 HIS A 120 8.266 -10.704 -7.903 1.00 0.00 H new ATOM 0 HB3 HIS A 120 8.243 -9.575 -6.562 1.00 0.00 H new ATOM 0 HD2 HIS A 120 11.127 -11.776 -8.216 1.00 0.00 H new ATOM 0 HE1 HIS A 120 12.644 -7.943 -7.213 1.00 0.00 H new ATOM 0 HE2 HIS A 120 13.203 -10.198 -8.254 1.00 0.00 H new ATOM 1871 N ILE A 121 8.594 -10.275 -3.964 1.00 0.00 N ATOM 1872 CA ILE A 121 9.062 -9.817 -2.662 1.00 0.00 C ATOM 1873 C ILE A 121 9.108 -10.965 -1.660 1.00 0.00 C ATOM 1874 O ILE A 121 10.071 -11.107 -0.905 1.00 0.00 O ATOM 1875 CB ILE A 121 8.165 -8.697 -2.103 1.00 0.00 C ATOM 1876 CG1 ILE A 121 8.153 -7.500 -3.055 1.00 0.00 C ATOM 1877 CG2 ILE A 121 8.642 -8.277 -0.720 1.00 0.00 C ATOM 1878 CD1 ILE A 121 6.969 -6.580 -2.854 1.00 0.00 C ATOM 0 H ILE A 121 7.750 -9.809 -4.297 1.00 0.00 H new ATOM 0 HA ILE A 121 10.069 -9.425 -2.808 1.00 0.00 H new ATOM 0 HB ILE A 121 7.147 -9.077 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 121 9.072 -6.930 -2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 121 8.150 -7.863 -4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 121 7.998 -7.485 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.603 -9.133 -0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 121 9.667 -7.912 -0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 121 7.026 -5.754 -3.563 1.00 0.00 H new ATOM 0 HD12 ILE A 121 6.045 -7.135 -3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 121 6.982 -6.187 -1.837 1.00 0.00 H new ATOM 1890 N LEU A 122 8.062 -11.784 -1.659 1.00 0.00 N ATOM 1891 CA LEU A 122 7.982 -12.923 -0.750 1.00 0.00 C ATOM 1892 C LEU A 122 9.161 -13.868 -0.957 1.00 0.00 C ATOM 1893 O LEU A 122 9.604 -14.537 -0.024 1.00 0.00 O ATOM 1894 CB LEU A 122 6.667 -13.676 -0.959 1.00 0.00 C ATOM 1895 CG LEU A 122 5.420 -13.030 -0.354 1.00 0.00 C ATOM 1896 CD1 LEU A 122 4.175 -13.818 -0.731 1.00 0.00 C ATOM 1897 CD2 LEU A 122 5.552 -12.930 1.159 1.00 0.00 C ATOM 0 H LEU A 122 7.257 -11.681 -2.277 1.00 0.00 H new ATOM 0 HA LEU A 122 8.018 -12.545 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 122 6.506 -13.795 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 122 6.774 -14.676 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 122 5.324 -12.022 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.297 -13.344 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.072 -13.838 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 122 4.262 -14.838 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 122 4.656 -12.468 1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 122 5.673 -13.928 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 122 6.422 -12.322 1.409 1.00 0.00 H new ATOM 1909 N SER A 123 9.666 -13.915 -2.186 1.00 0.00 N ATOM 1910 CA SER A 123 10.793 -14.780 -2.516 1.00 0.00 C ATOM 1911 C SER A 123 12.118 -14.083 -2.217 1.00 0.00 C ATOM 1912 O SER A 123 12.923 -13.846 -3.117 1.00 0.00 O ATOM 1913 CB SER A 123 10.739 -15.184 -3.990 1.00 0.00 C ATOM 1914 OG SER A 123 11.436 -16.398 -4.212 1.00 0.00 O ATOM 0 H SER A 123 9.313 -13.365 -2.969 1.00 0.00 H new ATOM 0 HA SER A 123 10.725 -15.676 -1.898 1.00 0.00 H new ATOM 0 HB2 SER A 123 9.701 -15.295 -4.302 1.00 0.00 H new ATOM 0 HB3 SER A 123 11.173 -14.394 -4.603 1.00 0.00 H new ATOM 0 HG SER A 123 11.385 -16.635 -5.161 1.00 0.00 H new ATOM 1920 N GLN A 124 12.335 -13.759 -0.946 1.00 0.00 N ATOM 1921 CA GLN A 124 13.560 -13.089 -0.528 1.00 0.00 C ATOM 1922 C GLN A 124 14.208 -13.821 0.643 1.00 0.00 C ATOM 1923 O GLN A 124 14.062 -13.438 1.804 1.00 0.00 O ATOM 1924 CB GLN A 124 13.267 -11.639 -0.139 1.00 0.00 C ATOM 1925 CG GLN A 124 13.050 -10.721 -1.331 1.00 0.00 C ATOM 1926 CD GLN A 124 14.346 -10.352 -2.026 1.00 0.00 C ATOM 1927 OE1 GLN A 124 14.998 -11.197 -2.640 1.00 0.00 O ATOM 1928 NE2 GLN A 124 14.726 -9.083 -1.934 1.00 0.00 N ATOM 0 H GLN A 124 11.679 -13.950 -0.189 1.00 0.00 H new ATOM 0 HA GLN A 124 14.254 -13.099 -1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 124 12.380 -11.614 0.495 1.00 0.00 H new ATOM 0 HB3 GLN A 124 14.096 -11.257 0.457 1.00 0.00 H new ATOM 0 HG2 GLN A 124 12.386 -11.209 -2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 124 12.549 -9.812 -0.998 1.00 0.00 H new ATOM 0 HE21 GLN A 124 14.155 -8.416 -1.415 1.00 0.00 H new ATOM 0 HE22 GLN A 124 15.589 -8.775 -2.382 1.00 0.00 H new ATOM 1937 N PRO A 125 14.943 -14.900 0.333 1.00 0.00 N ATOM 1938 CA PRO A 125 15.628 -15.708 1.346 1.00 0.00 C ATOM 1939 C PRO A 125 16.802 -14.969 1.980 1.00 0.00 C ATOM 1940 O PRO A 125 17.806 -14.700 1.321 1.00 0.00 O ATOM 1941 CB PRO A 125 16.124 -16.922 0.556 1.00 0.00 C ATOM 1942 CG PRO A 125 16.250 -16.435 -0.847 1.00 0.00 C ATOM 1943 CD PRO A 125 15.161 -15.414 -1.030 1.00 0.00 C ATOM 0 HA PRO A 125 14.970 -15.963 2.177 1.00 0.00 H new ATOM 0 HB2 PRO A 125 17.080 -17.280 0.938 1.00 0.00 H new ATOM 0 HB3 PRO A 125 15.422 -17.753 0.625 1.00 0.00 H new ATOM 0 HG2 PRO A 125 17.232 -15.994 -1.020 1.00 0.00 H new ATOM 0 HG3 PRO A 125 16.139 -17.255 -1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 125 15.464 -14.622 -1.715 1.00 0.00 H new ATOM 0 HD3 PRO A 125 14.256 -15.861 -1.440 1.00 0.00 H new ATOM 1951 N GLU A 126 16.669 -14.646 3.263 1.00 0.00 N ATOM 1952 CA GLU A 126 17.720 -13.938 3.984 1.00 0.00 C ATOM 1953 C GLU A 126 18.698 -14.920 4.622 1.00 0.00 C ATOM 1954 O GLU A 126 18.348 -16.065 4.912 1.00 0.00 O ATOM 1955 CB GLU A 126 17.112 -13.036 5.060 1.00 0.00 C ATOM 1956 CG GLU A 126 16.613 -13.793 6.279 1.00 0.00 C ATOM 1957 CD GLU A 126 15.241 -14.404 6.066 1.00 0.00 C ATOM 1958 OE1 GLU A 126 14.343 -13.687 5.577 1.00 0.00 O ATOM 1959 OE2 GLU A 126 15.066 -15.597 6.389 1.00 0.00 O ATOM 0 H GLU A 126 15.845 -14.863 3.823 1.00 0.00 H new ATOM 0 HA GLU A 126 18.265 -13.322 3.268 1.00 0.00 H new ATOM 0 HB2 GLU A 126 17.859 -12.308 5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 126 16.284 -12.476 4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 126 17.323 -14.582 6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 126 16.576 -13.116 7.132 1.00 0.00 H new ATOM 1966 N THR A 127 19.928 -14.464 4.839 1.00 0.00 N ATOM 1967 CA THR A 127 20.958 -15.301 5.441 1.00 0.00 C ATOM 1968 C THR A 127 20.924 -15.208 6.962 1.00 0.00 C ATOM 1969 O THR A 127 21.461 -14.270 7.549 1.00 0.00 O ATOM 1970 CB THR A 127 22.363 -14.907 4.946 1.00 0.00 C ATOM 1971 OG1 THR A 127 22.390 -14.890 3.514 1.00 0.00 O ATOM 1972 CG2 THR A 127 23.412 -15.877 5.467 1.00 0.00 C ATOM 0 H THR A 127 20.235 -13.519 4.607 1.00 0.00 H new ATOM 0 HA THR A 127 20.748 -16.327 5.138 1.00 0.00 H new ATOM 0 HB THR A 127 22.592 -13.911 5.325 1.00 0.00 H new ATOM 0 HG1 THR A 127 23.286 -14.637 3.207 1.00 0.00 H new ATOM 0 HG21 THR A 127 24.396 -15.578 5.104 1.00 0.00 H new ATOM 0 HG22 THR A 127 23.408 -15.866 6.557 1.00 0.00 H new ATOM 0 HG23 THR A 127 23.185 -16.883 5.114 1.00 0.00 H new ATOM 1980 N GLY A 128 20.287 -16.188 7.596 1.00 0.00 N ATOM 1981 CA GLY A 128 20.195 -16.198 9.045 1.00 0.00 C ATOM 1982 C GLY A 128 18.888 -16.784 9.539 1.00 0.00 C ATOM 1983 O GLY A 128 18.748 -17.099 10.721 1.00 0.00 O ATOM 0 H GLY A 128 19.833 -16.975 7.132 1.00 0.00 H new ATOM 0 HA2 GLY A 128 21.025 -16.773 9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 128 20.297 -15.179 9.419 1.00 0.00 H new TER 1987 GLY A 128