USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 511 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 Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -162:sc= -1.43 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc= 0.149 K(o=0.15,f=-1.1) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0736) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= -0.101 (180deg=-0.425) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -161:sc= -2.5! USER MOD Single : A 51 LYS NZ :NH3+ -158:sc= -0.383 (180deg=-1.17) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= -0.0426 (180deg=-0.341) USER MOD Single : A 72 MET CE :methyl -133:sc= 0 (180deg=-0.00126) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -7.657 3.920 10.992 1.00 0.00 N ATOM 2 CA GLY A 17 -7.477 5.039 10.085 1.00 0.00 C ATOM 3 C GLY A 17 -6.277 4.869 9.173 1.00 0.00 C ATOM 4 O GLY A 17 -5.205 5.414 9.438 1.00 0.00 O ATOM 0 HA2 GLY A 17 -8.375 5.157 9.478 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.361 5.955 10.664 1.00 0.00 H new ATOM 8 N LEU A 18 -6.456 4.112 8.094 1.00 0.00 N ATOM 9 CA LEU A 18 -5.379 3.877 7.136 1.00 0.00 C ATOM 10 C LEU A 18 -5.926 3.801 5.714 1.00 0.00 C ATOM 11 O LEU A 18 -6.677 2.869 5.370 1.00 0.00 O ATOM 12 CB LEU A 18 -4.632 2.587 7.476 1.00 0.00 C ATOM 13 CG LEU A 18 -3.838 2.620 8.782 1.00 0.00 C ATOM 14 CD1 LEU A 18 -4.664 2.046 9.922 1.00 0.00 C ATOM 15 CD2 LEU A 18 -2.532 1.855 8.632 1.00 0.00 C ATOM 0 H LEU A 18 -7.336 3.651 7.861 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.684 4.715 7.198 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.353 1.771 7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.948 2.356 6.659 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.603 3.658 9.016 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.083 2.077 10.844 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.573 2.635 10.045 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.929 1.013 9.695 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.980 1.889 9.571 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.746 0.818 8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.933 2.309 7.843 1.00 0.00 H new ATOM 27 N MET A 19 -5.516 4.760 4.874 1.00 0.00 N ATOM 28 CA MET A 19 -5.953 4.771 3.483 1.00 0.00 C ATOM 29 C MET A 19 -4.806 4.284 2.635 1.00 0.00 C ATOM 30 O MET A 19 -3.708 4.838 2.700 1.00 0.00 O ATOM 31 CB MET A 19 -6.376 6.178 3.055 1.00 0.00 C ATOM 32 CG MET A 19 -7.687 6.634 3.672 1.00 0.00 C ATOM 33 SD MET A 19 -8.717 7.558 2.515 1.00 0.00 S ATOM 34 CE MET A 19 -8.889 9.115 3.386 1.00 0.00 C ATOM 0 H MET A 19 -4.892 5.524 5.133 1.00 0.00 H new ATOM 0 HA MET A 19 -6.819 4.121 3.360 1.00 0.00 H new ATOM 0 HB2 MET A 19 -5.591 6.883 3.328 1.00 0.00 H new ATOM 0 HB3 MET A 19 -6.466 6.207 1.969 1.00 0.00 H new ATOM 0 HG2 MET A 19 -8.238 5.764 4.028 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.477 7.256 4.542 1.00 0.00 H new ATOM 0 HE1 MET A 19 -9.502 9.796 2.796 1.00 0.00 H new ATOM 0 HE2 MET A 19 -9.365 8.941 4.351 1.00 0.00 H new ATOM 0 HE3 MET A 19 -7.904 9.556 3.541 1.00 0.00 H new ATOM 44 N VAL A 20 -5.022 3.241 1.865 1.00 0.00 N ATOM 45 CA VAL A 20 -3.945 2.684 1.068 1.00 0.00 C ATOM 46 C VAL A 20 -4.370 2.373 -0.362 1.00 0.00 C ATOM 47 O VAL A 20 -5.489 1.938 -0.605 1.00 0.00 O ATOM 48 CB VAL A 20 -3.451 1.391 1.759 1.00 0.00 C ATOM 49 CG1 VAL A 20 -2.375 0.670 0.959 1.00 0.00 C ATOM 50 CG2 VAL A 20 -2.954 1.712 3.158 1.00 0.00 C ATOM 0 H VAL A 20 -5.919 2.765 1.772 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.150 3.427 1.003 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.300 0.710 1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.067 -0.229 1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.771 0.395 -0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.516 1.328 0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.607 0.798 3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.131 2.424 3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.766 2.145 3.742 1.00 0.00 H new ATOM 60 N GLU A 21 -3.449 2.521 -1.304 1.00 0.00 N ATOM 61 CA GLU A 21 -3.733 2.133 -2.681 1.00 0.00 C ATOM 62 C GLU A 21 -3.155 0.743 -2.773 1.00 0.00 C ATOM 63 O GLU A 21 -1.980 0.563 -2.462 1.00 0.00 O ATOM 64 CB GLU A 21 -3.072 3.082 -3.694 1.00 0.00 C ATOM 65 CG GLU A 21 -2.499 2.389 -4.925 1.00 0.00 C ATOM 66 CD GLU A 21 -1.056 1.965 -4.735 1.00 0.00 C ATOM 67 OE1 GLU A 21 -0.179 2.851 -4.676 1.00 0.00 O ATOM 68 OE2 GLU A 21 -0.803 0.745 -4.648 1.00 0.00 O ATOM 0 H GLU A 21 -2.515 2.900 -1.147 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.796 2.173 -2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.807 3.819 -4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.272 3.628 -3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.104 1.513 -5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.567 3.061 -5.781 1.00 0.00 H new ATOM 75 N VAL A 22 -3.942 -0.258 -3.117 1.00 0.00 N ATOM 76 CA VAL A 22 -3.392 -1.605 -3.091 1.00 0.00 C ATOM 77 C VAL A 22 -3.585 -2.420 -4.343 1.00 0.00 C ATOM 78 O VAL A 22 -4.687 -2.508 -4.887 1.00 0.00 O ATOM 79 CB VAL A 22 -4.005 -2.400 -1.931 1.00 0.00 C ATOM 80 CG1 VAL A 22 -3.250 -3.703 -1.703 1.00 0.00 C ATOM 81 CG2 VAL A 22 -4.027 -1.557 -0.665 1.00 0.00 C ATOM 0 H VAL A 22 -4.917 -0.178 -3.405 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.319 -1.447 -2.981 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.032 -2.653 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.705 -4.247 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.295 -4.312 -2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.209 -3.484 -1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.465 -2.135 0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.009 -1.271 -0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.623 -0.660 -0.835 1.00 0.00 H new ATOM 91 N VAL A 23 -2.520 -3.116 -4.725 1.00 0.00 N ATOM 92 CA VAL A 23 -2.602 -4.041 -5.822 1.00 0.00 C ATOM 93 C VAL A 23 -2.162 -5.406 -5.298 1.00 0.00 C ATOM 94 O VAL A 23 -1.018 -5.607 -4.893 1.00 0.00 O ATOM 95 CB VAL A 23 -1.708 -3.624 -7.007 1.00 0.00 C ATOM 96 CG1 VAL A 23 -2.353 -2.489 -7.789 1.00 0.00 C ATOM 97 CG2 VAL A 23 -0.323 -3.225 -6.522 1.00 0.00 C ATOM 0 H VAL A 23 -1.601 -3.050 -4.288 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.626 -4.063 -6.196 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.600 -4.480 -7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.708 -2.208 -8.621 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.320 -2.815 -8.173 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.494 -1.630 -7.133 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.291 -2.934 -7.374 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.407 -2.385 -5.832 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.141 -4.069 -6.011 1.00 0.00 H new ATOM 107 N GLU A 24 -3.090 -6.335 -5.337 1.00 0.00 N ATOM 108 CA GLU A 24 -2.867 -7.695 -4.876 1.00 0.00 C ATOM 109 C GLU A 24 -3.700 -8.693 -5.674 1.00 0.00 C ATOM 110 O GLU A 24 -4.487 -8.318 -6.555 1.00 0.00 O ATOM 111 CB GLU A 24 -3.197 -7.810 -3.388 1.00 0.00 C ATOM 112 CG GLU A 24 -4.664 -7.579 -3.068 1.00 0.00 C ATOM 113 CD GLU A 24 -4.946 -7.600 -1.578 1.00 0.00 C ATOM 114 OE1 GLU A 24 -4.772 -8.668 -0.956 1.00 0.00 O ATOM 115 OE2 GLU A 24 -5.342 -6.548 -1.035 1.00 0.00 O ATOM 0 H GLU A 24 -4.032 -6.170 -5.692 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.814 -7.932 -5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.909 -8.801 -3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.596 -7.089 -2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.975 -6.619 -3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.264 -8.345 -3.559 1.00 0.00 H new ATOM 122 N SER A 25 -3.519 -9.972 -5.361 1.00 0.00 N ATOM 123 CA SER A 25 -4.254 -11.035 -6.026 1.00 0.00 C ATOM 124 C SER A 25 -3.867 -11.160 -7.496 1.00 0.00 C ATOM 125 O SER A 25 -4.302 -10.364 -8.328 1.00 0.00 O ATOM 126 CB SER A 25 -5.761 -10.780 -5.904 1.00 0.00 C ATOM 127 OG SER A 25 -6.065 -10.065 -4.715 1.00 0.00 O ATOM 0 H SER A 25 -2.866 -10.295 -4.647 1.00 0.00 H new ATOM 0 HA SER A 25 -3.997 -11.974 -5.535 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.109 -10.216 -6.770 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.295 -11.730 -5.907 1.00 0.00 H new ATOM 0 HG SER A 25 -7.019 -10.160 -4.511 1.00 0.00 H new ATOM 133 N PRO A 26 -3.056 -12.178 -7.845 1.00 0.00 N ATOM 134 CA PRO A 26 -2.634 -12.412 -9.228 1.00 0.00 C ATOM 135 C PRO A 26 -3.803 -12.849 -10.111 1.00 0.00 C ATOM 136 O PRO A 26 -3.657 -12.994 -11.325 1.00 0.00 O ATOM 137 CB PRO A 26 -1.598 -13.543 -9.115 1.00 0.00 C ATOM 138 CG PRO A 26 -1.278 -13.652 -7.660 1.00 0.00 C ATOM 139 CD PRO A 26 -2.504 -13.187 -6.931 1.00 0.00 C ATOM 0 HA PRO A 26 -2.236 -11.508 -9.690 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.999 -14.481 -9.499 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.705 -13.316 -9.697 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.030 -14.679 -7.391 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.415 -13.038 -7.403 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.206 -14.003 -6.756 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.260 -12.762 -5.957 1.00 0.00 H new ATOM 147 N ASN A 27 -4.964 -13.059 -9.482 1.00 0.00 N ATOM 148 CA ASN A 27 -6.178 -13.482 -10.177 1.00 0.00 C ATOM 149 C ASN A 27 -6.311 -12.824 -11.548 1.00 0.00 C ATOM 150 O ASN A 27 -5.748 -11.757 -11.796 1.00 0.00 O ATOM 151 CB ASN A 27 -7.400 -13.146 -9.318 1.00 0.00 C ATOM 152 CG ASN A 27 -8.270 -14.360 -9.048 1.00 0.00 C ATOM 153 OD1 ASN A 27 -9.257 -14.595 -9.742 1.00 0.00 O ATOM 154 ND2 ASN A 27 -7.904 -15.135 -8.033 1.00 0.00 N ATOM 0 H ASN A 27 -5.086 -12.940 -8.476 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.115 -14.559 -10.336 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.069 -12.722 -8.370 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.994 -12.381 -9.819 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.450 -15.965 -7.802 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.077 -14.900 -7.485 1.00 0.00 H new ATOM 161 N HIS A 28 -7.067 -13.468 -12.434 1.00 0.00 N ATOM 162 CA HIS A 28 -7.285 -12.951 -13.781 1.00 0.00 C ATOM 163 C HIS A 28 -7.772 -11.507 -13.734 1.00 0.00 C ATOM 164 O HIS A 28 -7.239 -10.638 -14.425 1.00 0.00 O ATOM 165 CB HIS A 28 -8.299 -13.822 -14.524 1.00 0.00 C ATOM 166 CG HIS A 28 -7.881 -15.254 -14.651 1.00 0.00 C ATOM 167 ND1 HIS A 28 -8.015 -16.172 -13.629 1.00 0.00 N ATOM 168 CD2 HIS A 28 -7.329 -15.928 -15.690 1.00 0.00 C ATOM 169 CE1 HIS A 28 -7.562 -17.346 -14.034 1.00 0.00 C ATOM 170 NE2 HIS A 28 -7.142 -17.224 -15.279 1.00 0.00 N ATOM 0 H HIS A 28 -7.540 -14.351 -12.242 1.00 0.00 H new ATOM 0 HA HIS A 28 -6.335 -12.978 -14.315 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.255 -13.776 -14.003 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.459 -13.409 -15.520 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.083 -15.521 -16.660 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -7.539 -18.251 -13.446 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -6.743 -17.973 -15.845 1.00 0.00 H new ATOM 179 N SER A 29 -8.784 -11.258 -12.910 1.00 0.00 N ATOM 180 CA SER A 29 -9.338 -9.918 -12.765 1.00 0.00 C ATOM 181 C SER A 29 -8.461 -9.074 -11.847 1.00 0.00 C ATOM 182 O SER A 29 -8.351 -7.860 -12.021 1.00 0.00 O ATOM 183 CB SER A 29 -10.762 -9.989 -12.211 1.00 0.00 C ATOM 184 OG SER A 29 -11.425 -8.743 -12.346 1.00 0.00 O ATOM 0 H SER A 29 -9.237 -11.967 -12.333 1.00 0.00 H new ATOM 0 HA SER A 29 -9.366 -9.449 -13.749 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.322 -10.762 -12.738 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.733 -10.277 -11.160 1.00 0.00 H new ATOM 0 HG SER A 29 -12.334 -8.815 -11.986 1.00 0.00 H new ATOM 190 N GLU A 30 -7.834 -9.728 -10.874 1.00 0.00 N ATOM 191 CA GLU A 30 -6.959 -9.042 -9.931 1.00 0.00 C ATOM 192 C GLU A 30 -7.732 -8.007 -9.121 1.00 0.00 C ATOM 193 O GLU A 30 -8.703 -7.425 -9.605 1.00 0.00 O ATOM 194 CB GLU A 30 -5.806 -8.367 -10.677 1.00 0.00 C ATOM 195 CG GLU A 30 -4.700 -7.855 -9.766 1.00 0.00 C ATOM 196 CD GLU A 30 -4.042 -6.598 -10.297 1.00 0.00 C ATOM 197 OE1 GLU A 30 -3.525 -6.634 -11.433 1.00 0.00 O ATOM 198 OE2 GLU A 30 -4.046 -5.577 -9.578 1.00 0.00 O ATOM 0 H GLU A 30 -7.916 -10.733 -10.718 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.555 -9.784 -9.242 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.380 -9.077 -11.386 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.200 -7.533 -11.258 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.113 -7.655 -8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.945 -8.632 -9.645 1.00 0.00 H new ATOM 205 N VAL A 31 -7.286 -7.769 -7.892 1.00 0.00 N ATOM 206 CA VAL A 31 -7.926 -6.789 -7.022 1.00 0.00 C ATOM 207 C VAL A 31 -6.966 -5.650 -6.757 1.00 0.00 C ATOM 208 O VAL A 31 -6.229 -5.660 -5.749 1.00 0.00 O ATOM 209 CB VAL A 31 -8.333 -7.401 -5.673 1.00 0.00 C ATOM 210 CG1 VAL A 31 -9.373 -6.537 -4.979 1.00 0.00 C ATOM 211 CG2 VAL A 31 -8.834 -8.829 -5.848 1.00 0.00 C ATOM 0 H VAL A 31 -6.484 -8.242 -7.476 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.824 -6.436 -7.529 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.448 -7.436 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.646 -6.991 -4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.962 -5.543 -4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.259 -6.457 -5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.115 -9.237 -4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.701 -8.832 -6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.044 -9.441 -6.284 1.00 0.00 H new ATOM 221 N GLY A 32 -7.019 -4.620 -7.579 1.00 0.00 N ATOM 222 CA GLY A 32 -6.190 -3.477 -7.355 1.00 0.00 C ATOM 223 C GLY A 32 -7.052 -2.266 -7.472 1.00 0.00 C ATOM 224 O GLY A 32 -7.540 -1.919 -8.531 1.00 0.00 O ATOM 0 H GLY A 32 -7.625 -4.561 -8.397 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.729 -3.525 -6.368 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.380 -3.443 -8.084 1.00 0.00 H new ATOM 228 N ILE A 33 -7.197 -1.575 -6.399 1.00 0.00 N ATOM 229 CA ILE A 33 -8.002 -0.404 -6.411 1.00 0.00 C ATOM 230 C ILE A 33 -7.646 0.494 -5.269 1.00 0.00 C ATOM 231 O ILE A 33 -6.755 0.203 -4.462 1.00 0.00 O ATOM 232 CB ILE A 33 -9.504 -0.804 -6.427 1.00 0.00 C ATOM 233 CG1 ILE A 33 -10.032 -0.642 -7.841 1.00 0.00 C ATOM 234 CG2 ILE A 33 -10.369 -0.041 -5.428 1.00 0.00 C ATOM 235 CD1 ILE A 33 -10.314 0.793 -8.235 1.00 0.00 C ATOM 0 H ILE A 33 -6.769 -1.799 -5.500 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.809 0.169 -7.318 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.566 -1.844 -6.106 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.308 -1.063 -8.538 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -10.949 -1.223 -7.944 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.401 -0.382 -5.506 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -10.003 -0.221 -4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.322 1.026 -5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.688 0.823 -9.259 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -11.062 1.214 -7.563 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.396 1.376 -8.167 1.00 0.00 H new ATOM 247 N LYS A 34 -8.351 1.583 -5.214 1.00 0.00 N ATOM 248 CA LYS A 34 -8.182 2.497 -4.112 1.00 0.00 C ATOM 249 C LYS A 34 -8.926 1.792 -2.986 1.00 0.00 C ATOM 250 O LYS A 34 -10.094 1.441 -3.148 1.00 0.00 O ATOM 251 CB LYS A 34 -8.794 3.868 -4.411 1.00 0.00 C ATOM 252 CG LYS A 34 -7.789 4.884 -4.927 1.00 0.00 C ATOM 253 CD LYS A 34 -8.480 6.113 -5.493 1.00 0.00 C ATOM 254 CE LYS A 34 -7.531 6.945 -6.342 1.00 0.00 C ATOM 255 NZ LYS A 34 -7.254 6.304 -7.658 1.00 0.00 N ATOM 0 H LYS A 34 -9.043 1.864 -5.908 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.137 2.706 -3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.588 3.749 -5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.257 4.256 -3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.122 5.181 -4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.170 4.426 -5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.335 5.806 -6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.868 6.722 -4.676 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.961 7.934 -6.503 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.594 7.089 -5.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.790 6.990 -8.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.630 5.484 -7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.148 5.990 -8.086 1.00 0.00 H new ATOM 269 N GLY A 35 -8.250 1.495 -1.898 1.00 0.00 N ATOM 270 CA GLY A 35 -8.887 0.725 -0.855 1.00 0.00 C ATOM 271 C GLY A 35 -8.508 1.103 0.549 1.00 0.00 C ATOM 272 O GLY A 35 -7.670 1.982 0.783 1.00 0.00 O ATOM 0 H GLY A 35 -7.284 1.767 -1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.967 0.825 -0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.648 -0.328 -1.007 1.00 0.00 H new ATOM 276 N GLU A 36 -9.142 0.417 1.488 1.00 0.00 N ATOM 277 CA GLU A 36 -8.894 0.657 2.910 1.00 0.00 C ATOM 278 C GLU A 36 -8.102 -0.489 3.530 1.00 0.00 C ATOM 279 O GLU A 36 -8.237 -1.645 3.101 1.00 0.00 O ATOM 280 CB GLU A 36 -10.220 0.841 3.655 1.00 0.00 C ATOM 281 CG GLU A 36 -10.328 2.172 4.380 1.00 0.00 C ATOM 282 CD GLU A 36 -9.806 2.104 5.803 1.00 0.00 C ATOM 283 OE1 GLU A 36 -8.753 1.467 6.018 1.00 0.00 O ATOM 284 OE2 GLU A 36 -10.450 2.687 6.701 1.00 0.00 O ATOM 0 H GLU A 36 -9.831 -0.310 1.296 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.303 1.569 3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.042 0.756 2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.337 0.033 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.771 2.929 3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.370 2.491 4.394 1.00 0.00 H new ATOM 291 N VAL A 37 -7.272 -0.175 4.538 1.00 0.00 N ATOM 292 CA VAL A 37 -6.472 -1.214 5.192 1.00 0.00 C ATOM 293 C VAL A 37 -6.725 -1.299 6.687 1.00 0.00 C ATOM 294 O VAL A 37 -6.551 -0.332 7.428 1.00 0.00 O ATOM 295 CB VAL A 37 -4.964 -1.017 4.965 1.00 0.00 C ATOM 296 CG1 VAL A 37 -4.632 -1.073 3.485 1.00 0.00 C ATOM 297 CG2 VAL A 37 -4.492 0.290 5.579 1.00 0.00 C ATOM 0 H VAL A 37 -7.141 0.766 4.908 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.792 -2.146 4.726 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.435 -1.831 5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.560 -0.931 3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.925 -2.043 3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.173 -0.285 2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.422 0.408 5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.028 1.122 5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.687 0.280 6.651 1.00 0.00 H new ATOM 307 N VAL A 38 -7.095 -2.498 7.115 1.00 0.00 N ATOM 308 CA VAL A 38 -7.346 -2.781 8.515 1.00 0.00 C ATOM 309 C VAL A 38 -6.600 -4.044 8.936 1.00 0.00 C ATOM 310 O VAL A 38 -6.523 -5.018 8.179 1.00 0.00 O ATOM 311 CB VAL A 38 -8.849 -2.962 8.796 1.00 0.00 C ATOM 312 CG1 VAL A 38 -9.593 -1.650 8.600 1.00 0.00 C ATOM 313 CG2 VAL A 38 -9.431 -4.051 7.907 1.00 0.00 C ATOM 0 H VAL A 38 -7.229 -3.300 6.499 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.989 -1.928 9.092 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.970 -3.269 9.835 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.653 -1.799 8.803 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.194 -0.900 9.283 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.465 -1.309 7.573 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.494 -4.165 8.120 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.298 -3.776 6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.919 -4.993 8.103 1.00 0.00 H new ATOM 323 N ASP A 39 -6.043 -4.027 10.134 1.00 0.00 N ATOM 324 CA ASP A 39 -5.308 -5.173 10.650 1.00 0.00 C ATOM 325 C ASP A 39 -6.264 -6.154 11.323 1.00 0.00 C ATOM 326 O ASP A 39 -6.888 -5.829 12.333 1.00 0.00 O ATOM 327 CB ASP A 39 -4.237 -4.719 11.645 1.00 0.00 C ATOM 328 CG ASP A 39 -4.805 -3.847 12.747 1.00 0.00 C ATOM 329 OD1 ASP A 39 -5.083 -2.659 12.480 1.00 0.00 O ATOM 330 OD2 ASP A 39 -4.973 -4.353 13.877 1.00 0.00 O ATOM 0 H ASP A 39 -6.085 -3.231 10.771 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.818 -5.673 9.814 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.761 -5.594 12.087 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.461 -4.168 11.113 1.00 0.00 H new ATOM 335 N GLU A 40 -6.380 -7.351 10.751 1.00 0.00 N ATOM 336 CA GLU A 40 -7.270 -8.382 11.289 1.00 0.00 C ATOM 337 C GLU A 40 -7.167 -8.464 12.812 1.00 0.00 C ATOM 338 O GLU A 40 -8.038 -7.969 13.529 1.00 0.00 O ATOM 339 CB GLU A 40 -6.940 -9.742 10.669 1.00 0.00 C ATOM 340 CG GLU A 40 -7.775 -10.073 9.444 1.00 0.00 C ATOM 341 CD GLU A 40 -7.823 -11.560 9.154 1.00 0.00 C ATOM 342 OE1 GLU A 40 -7.534 -12.354 10.075 1.00 0.00 O ATOM 343 OE2 GLU A 40 -8.148 -11.932 8.007 1.00 0.00 O ATOM 0 H GLU A 40 -5.869 -7.632 9.914 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.293 -8.108 11.032 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.885 -9.760 10.395 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.088 -10.519 11.419 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.790 -9.702 9.590 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.366 -9.551 8.579 1.00 0.00 H new ATOM 350 N THR A 41 -6.098 -9.083 13.296 1.00 0.00 N ATOM 351 CA THR A 41 -5.880 -9.223 14.731 1.00 0.00 C ATOM 352 C THR A 41 -4.537 -8.620 15.127 1.00 0.00 C ATOM 353 O THR A 41 -3.799 -9.192 15.929 1.00 0.00 O ATOM 354 CB THR A 41 -5.932 -10.697 15.136 1.00 0.00 C ATOM 355 OG1 THR A 41 -5.249 -11.502 14.191 1.00 0.00 O ATOM 356 CG2 THR A 41 -7.342 -11.233 15.263 1.00 0.00 C ATOM 0 H THR A 41 -5.368 -9.496 12.716 1.00 0.00 H new ATOM 0 HA THR A 41 -6.672 -8.687 15.253 1.00 0.00 H new ATOM 0 HB THR A 41 -5.453 -10.745 16.114 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.292 -12.441 14.469 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.307 -12.283 15.553 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.880 -10.665 16.022 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.855 -11.137 14.306 1.00 0.00 H new ATOM 364 N GLN A 42 -4.225 -7.463 14.552 1.00 0.00 N ATOM 365 CA GLN A 42 -2.967 -6.785 14.838 1.00 0.00 C ATOM 366 C GLN A 42 -1.789 -7.670 14.448 1.00 0.00 C ATOM 367 O GLN A 42 -0.998 -8.088 15.295 1.00 0.00 O ATOM 368 CB GLN A 42 -2.888 -6.417 16.323 1.00 0.00 C ATOM 369 CG GLN A 42 -2.353 -5.017 16.575 1.00 0.00 C ATOM 370 CD GLN A 42 -0.856 -4.999 16.814 1.00 0.00 C ATOM 371 OE1 GLN A 42 -0.368 -5.540 17.808 1.00 0.00 O ATOM 372 NE2 GLN A 42 -0.120 -4.375 15.903 1.00 0.00 N ATOM 0 H GLN A 42 -4.825 -6.976 13.886 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.923 -5.869 14.250 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.882 -6.502 16.763 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.250 -7.138 16.834 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.588 -4.383 15.720 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -2.860 -4.588 17.439 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.568 -3.941 15.096 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.893 -4.329 16.010 1.00 0.00 H new ATOM 381 N ASN A 43 -1.680 -7.959 13.154 1.00 0.00 N ATOM 382 CA ASN A 43 -0.598 -8.804 12.647 1.00 0.00 C ATOM 383 C ASN A 43 -0.713 -8.987 11.138 1.00 0.00 C ATOM 384 O ASN A 43 0.172 -8.585 10.384 1.00 0.00 O ATOM 385 CB ASN A 43 -0.616 -10.167 13.344 1.00 0.00 C ATOM 386 CG ASN A 43 0.732 -10.533 13.932 1.00 0.00 C ATOM 387 OD1 ASN A 43 1.299 -9.785 14.729 1.00 0.00 O ATOM 388 ND2 ASN A 43 1.255 -11.690 13.540 1.00 0.00 N ATOM 0 H ASN A 43 -2.324 -7.623 12.438 1.00 0.00 H new ATOM 0 HA ASN A 43 0.348 -8.308 12.863 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.364 -10.157 14.136 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.918 -10.933 12.630 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.161 -11.989 13.902 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.751 -12.279 12.878 1.00 0.00 H new ATOM 395 N THR A 44 -1.816 -9.587 10.703 1.00 0.00 N ATOM 396 CA THR A 44 -2.054 -9.806 9.281 1.00 0.00 C ATOM 397 C THR A 44 -2.662 -8.553 8.676 1.00 0.00 C ATOM 398 O THR A 44 -3.257 -7.747 9.391 1.00 0.00 O ATOM 399 CB THR A 44 -2.985 -11.001 9.071 1.00 0.00 C ATOM 400 OG1 THR A 44 -3.907 -11.114 10.140 1.00 0.00 O ATOM 401 CG2 THR A 44 -2.251 -12.320 8.954 1.00 0.00 C ATOM 0 H THR A 44 -2.558 -9.930 11.313 1.00 0.00 H new ATOM 0 HA THR A 44 -1.106 -10.023 8.789 1.00 0.00 H new ATOM 0 HB THR A 44 -3.497 -10.805 8.129 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.494 -11.883 9.986 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.971 -13.125 8.807 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.569 -12.283 8.104 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.684 -12.503 9.867 1.00 0.00 H new ATOM 409 N LEU A 45 -2.517 -8.376 7.367 1.00 0.00 N ATOM 410 CA LEU A 45 -3.066 -7.190 6.727 1.00 0.00 C ATOM 411 C LEU A 45 -4.195 -7.542 5.773 1.00 0.00 C ATOM 412 O LEU A 45 -4.017 -8.325 4.842 1.00 0.00 O ATOM 413 CB LEU A 45 -1.966 -6.439 5.973 1.00 0.00 C ATOM 414 CG LEU A 45 -0.798 -5.960 6.836 1.00 0.00 C ATOM 415 CD1 LEU A 45 0.415 -5.649 5.972 1.00 0.00 C ATOM 416 CD2 LEU A 45 -1.200 -4.742 7.656 1.00 0.00 C ATOM 0 H LEU A 45 -2.036 -9.023 6.742 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.472 -6.550 7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.576 -7.088 5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.411 -5.575 5.479 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.531 -6.762 7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.235 -5.310 6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.719 -6.547 5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.161 -4.867 5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.355 -4.417 8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.498 -3.935 6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.036 -5.001 8.306 1.00 0.00 H new ATOM 427 N LYS A 46 -5.351 -6.932 5.994 1.00 0.00 N ATOM 428 CA LYS A 46 -6.505 -7.152 5.138 1.00 0.00 C ATOM 429 C LYS A 46 -6.816 -5.863 4.400 1.00 0.00 C ATOM 430 O LYS A 46 -6.997 -4.817 5.022 1.00 0.00 O ATOM 431 CB LYS A 46 -7.714 -7.596 5.965 1.00 0.00 C ATOM 432 CG LYS A 46 -8.894 -8.048 5.122 1.00 0.00 C ATOM 433 CD LYS A 46 -9.826 -8.955 5.911 1.00 0.00 C ATOM 434 CE LYS A 46 -11.043 -8.197 6.418 1.00 0.00 C ATOM 435 NZ LYS A 46 -10.668 -6.906 7.057 1.00 0.00 N ATOM 0 H LYS A 46 -5.513 -6.280 6.761 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.281 -7.943 4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.414 -8.412 6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.029 -6.771 6.604 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.445 -7.177 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.532 -8.575 4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.149 -9.784 5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.287 -9.387 6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.724 -8.007 5.588 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.582 -8.815 7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.467 -6.552 7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.845 -7.051 7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.429 -6.211 6.321 1.00 0.00 H new ATOM 449 N ILE A 47 -6.860 -5.925 3.079 1.00 0.00 N ATOM 450 CA ILE A 47 -7.127 -4.730 2.289 1.00 0.00 C ATOM 451 C ILE A 47 -8.242 -4.961 1.291 1.00 0.00 C ATOM 452 O ILE A 47 -8.325 -6.028 0.680 1.00 0.00 O ATOM 453 CB ILE A 47 -5.877 -4.272 1.523 1.00 0.00 C ATOM 454 CG1 ILE A 47 -4.631 -4.383 2.405 1.00 0.00 C ATOM 455 CG2 ILE A 47 -6.064 -2.847 1.024 1.00 0.00 C ATOM 456 CD1 ILE A 47 -3.954 -5.734 2.331 1.00 0.00 C ATOM 0 H ILE A 47 -6.717 -6.776 2.536 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.426 -3.956 2.996 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.735 -4.925 0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.918 -3.612 2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.909 -4.182 3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.172 -2.531 0.482 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.927 -2.805 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.227 -2.183 1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.079 -5.739 2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.650 -6.508 2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.644 -5.930 1.305 1.00 0.00 H new ATOM 468 N MET A 48 -9.094 -3.966 1.112 1.00 0.00 N ATOM 469 CA MET A 48 -10.192 -4.089 0.158 1.00 0.00 C ATOM 470 C MET A 48 -10.069 -3.016 -0.914 1.00 0.00 C ATOM 471 O MET A 48 -9.999 -1.818 -0.577 1.00 0.00 O ATOM 472 CB MET A 48 -11.540 -3.958 0.874 1.00 0.00 C ATOM 473 CG MET A 48 -11.802 -2.568 1.435 1.00 0.00 C ATOM 474 SD MET A 48 -12.776 -1.541 0.317 1.00 0.00 S ATOM 475 CE MET A 48 -14.429 -2.129 0.672 1.00 0.00 C ATOM 0 H MET A 48 -9.052 -3.074 1.605 1.00 0.00 H new ATOM 0 HA MET A 48 -10.139 -5.072 -0.310 1.00 0.00 H new ATOM 0 HB2 MET A 48 -12.338 -4.215 0.177 1.00 0.00 H new ATOM 0 HB3 MET A 48 -11.581 -4.682 1.688 1.00 0.00 H new ATOM 0 HG2 MET A 48 -12.324 -2.657 2.388 1.00 0.00 H new ATOM 0 HG3 MET A 48 -10.850 -2.077 1.638 1.00 0.00 H new ATOM 0 HE1 MET A 48 -15.148 -1.588 0.056 1.00 0.00 H new ATOM 0 HE2 MET A 48 -14.491 -3.195 0.451 1.00 0.00 H new ATOM 0 HE3 MET A 48 -14.656 -1.963 1.725 1.00 0.00 H new ATOM 485 N THR A 49 -10.033 -3.435 -2.201 1.00 0.00 N ATOM 486 CA THR A 49 -9.908 -2.486 -3.284 1.00 0.00 C ATOM 487 C THR A 49 -10.944 -2.735 -4.390 1.00 0.00 C ATOM 488 O THR A 49 -12.051 -2.199 -4.334 1.00 0.00 O ATOM 489 CB THR A 49 -8.483 -2.532 -3.835 1.00 0.00 C ATOM 490 OG1 THR A 49 -8.257 -3.720 -4.572 1.00 0.00 O ATOM 491 CG2 THR A 49 -7.427 -2.457 -2.756 1.00 0.00 C ATOM 0 H THR A 49 -10.089 -4.411 -2.491 1.00 0.00 H new ATOM 0 HA THR A 49 -10.109 -1.488 -2.894 1.00 0.00 H new ATOM 0 HB THR A 49 -8.397 -1.654 -4.475 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.293 -3.875 -4.655 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.438 -2.494 -3.212 1.00 0.00 H new ATOM 0 HG22 THR A 49 -7.537 -1.524 -2.204 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.544 -3.299 -2.073 1.00 0.00 H new ATOM 499 N GLU A 50 -10.579 -3.516 -5.409 1.00 0.00 N ATOM 500 CA GLU A 50 -11.480 -3.776 -6.533 1.00 0.00 C ATOM 501 C GLU A 50 -12.356 -5.011 -6.315 1.00 0.00 C ATOM 502 O GLU A 50 -13.456 -4.907 -5.770 1.00 0.00 O ATOM 503 CB GLU A 50 -10.673 -3.916 -7.829 1.00 0.00 C ATOM 504 CG GLU A 50 -11.537 -4.076 -9.071 1.00 0.00 C ATOM 505 CD GLU A 50 -10.802 -3.704 -10.344 1.00 0.00 C ATOM 506 OE1 GLU A 50 -9.725 -3.077 -10.247 1.00 0.00 O ATOM 507 OE2 GLU A 50 -11.302 -4.038 -11.438 1.00 0.00 O ATOM 0 H GLU A 50 -9.672 -3.977 -5.479 1.00 0.00 H new ATOM 0 HA GLU A 50 -12.154 -2.923 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.039 -3.038 -7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.011 -4.778 -7.744 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.878 -5.109 -9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.426 -3.453 -8.974 1.00 0.00 H new ATOM 514 N LYS A 51 -11.881 -6.178 -6.763 1.00 0.00 N ATOM 515 CA LYS A 51 -12.637 -7.423 -6.635 1.00 0.00 C ATOM 516 C LYS A 51 -13.319 -7.539 -5.275 1.00 0.00 C ATOM 517 O LYS A 51 -14.376 -8.160 -5.154 1.00 0.00 O ATOM 518 CB LYS A 51 -11.722 -8.625 -6.867 1.00 0.00 C ATOM 519 CG LYS A 51 -12.283 -9.633 -7.857 1.00 0.00 C ATOM 520 CD LYS A 51 -11.869 -11.053 -7.502 1.00 0.00 C ATOM 521 CE LYS A 51 -10.378 -11.274 -7.719 1.00 0.00 C ATOM 522 NZ LYS A 51 -9.696 -11.710 -6.471 1.00 0.00 N ATOM 0 H LYS A 51 -10.974 -6.284 -7.218 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.417 -7.410 -7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.756 -8.272 -7.228 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.543 -9.124 -5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.371 -9.563 -7.872 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.934 -9.391 -8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.120 -11.256 -6.461 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.434 -11.760 -8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.231 -12.025 -8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.922 -10.351 -8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.680 -11.496 -6.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.104 -11.205 -5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.827 -12.734 -6.344 1.00 0.00 H new ATOM 536 N GLY A 52 -12.719 -6.936 -4.254 1.00 0.00 N ATOM 537 CA GLY A 52 -13.303 -6.989 -2.930 1.00 0.00 C ATOM 538 C GLY A 52 -12.271 -7.020 -1.822 1.00 0.00 C ATOM 539 O GLY A 52 -11.298 -6.250 -1.837 1.00 0.00 O ATOM 0 H GLY A 52 -11.844 -6.415 -4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.950 -6.123 -2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.935 -7.874 -2.854 1.00 0.00 H new ATOM 543 N LEU A 53 -12.502 -7.899 -0.848 1.00 0.00 N ATOM 544 CA LEU A 53 -11.620 -8.039 0.302 1.00 0.00 C ATOM 545 C LEU A 53 -10.681 -9.233 0.160 1.00 0.00 C ATOM 546 O LEU A 53 -11.118 -10.370 -0.024 1.00 0.00 O ATOM 547 CB LEU A 53 -12.454 -8.193 1.577 1.00 0.00 C ATOM 548 CG LEU A 53 -12.705 -6.897 2.345 1.00 0.00 C ATOM 549 CD1 LEU A 53 -13.682 -6.011 1.590 1.00 0.00 C ATOM 550 CD2 LEU A 53 -13.222 -7.199 3.743 1.00 0.00 C ATOM 0 H LEU A 53 -13.303 -8.530 -0.837 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.008 -7.139 0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -13.416 -8.633 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.951 -8.898 2.239 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.760 -6.361 2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.849 -5.092 2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.270 -5.768 0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.628 -6.537 1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.396 -6.264 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.156 -7.756 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.485 -7.794 4.283 1.00 0.00 H new ATOM 562 N LYS A 54 -9.389 -8.960 0.278 1.00 0.00 N ATOM 563 CA LYS A 54 -8.363 -9.985 0.196 1.00 0.00 C ATOM 564 C LYS A 54 -7.432 -9.889 1.405 1.00 0.00 C ATOM 565 O LYS A 54 -7.058 -8.791 1.828 1.00 0.00 O ATOM 566 CB LYS A 54 -7.564 -9.839 -1.102 1.00 0.00 C ATOM 567 CG LYS A 54 -6.593 -10.982 -1.350 1.00 0.00 C ATOM 568 CD LYS A 54 -7.324 -12.298 -1.567 1.00 0.00 C ATOM 569 CE LYS A 54 -7.324 -12.703 -3.032 1.00 0.00 C ATOM 570 NZ LYS A 54 -8.107 -13.949 -3.263 1.00 0.00 N ATOM 0 H LYS A 54 -9.024 -8.020 0.433 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.844 -10.963 0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.257 -9.774 -1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.009 -8.901 -1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.980 -10.757 -2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.916 -11.076 -0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.851 -13.080 -0.973 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.351 -12.207 -1.214 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.742 -11.895 -3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.298 -12.851 -3.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.083 -14.192 -4.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.693 -14.727 -2.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.093 -13.800 -2.966 1.00 0.00 H new ATOM 584 N VAL A 55 -7.070 -11.040 1.967 1.00 0.00 N ATOM 585 CA VAL A 55 -6.194 -11.074 3.134 1.00 0.00 C ATOM 586 C VAL A 55 -4.831 -11.671 2.802 1.00 0.00 C ATOM 587 O VAL A 55 -4.735 -12.774 2.264 1.00 0.00 O ATOM 588 CB VAL A 55 -6.819 -11.875 4.289 1.00 0.00 C ATOM 589 CG1 VAL A 55 -8.100 -11.211 4.770 1.00 0.00 C ATOM 590 CG2 VAL A 55 -7.080 -13.315 3.867 1.00 0.00 C ATOM 0 H VAL A 55 -7.368 -11.957 1.635 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.063 -10.037 3.445 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.111 -11.889 5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.527 -11.793 5.587 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.878 -10.203 5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.815 -11.161 3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.522 -13.863 4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.765 -13.327 3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.140 -13.786 3.580 1.00 0.00 H new ATOM 600 N VAL A 56 -3.782 -10.933 3.140 1.00 0.00 N ATOM 601 CA VAL A 56 -2.414 -11.370 2.892 1.00 0.00 C ATOM 602 C VAL A 56 -1.478 -10.932 4.020 1.00 0.00 C ATOM 603 O VAL A 56 -1.882 -10.223 4.948 1.00 0.00 O ATOM 604 CB VAL A 56 -1.872 -10.825 1.552 1.00 0.00 C ATOM 605 CG1 VAL A 56 -0.922 -11.827 0.914 1.00 0.00 C ATOM 606 CG2 VAL A 56 -3.010 -10.484 0.600 1.00 0.00 C ATOM 0 H VAL A 56 -3.854 -10.021 3.591 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.442 -12.459 2.846 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.320 -9.908 1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.550 -11.426 -0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.084 -12.012 1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.451 -12.762 0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.600 -10.103 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.598 -11.380 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.648 -9.725 1.053 1.00 0.00 H new ATOM 616 N ALA A 57 -0.225 -11.367 3.931 1.00 0.00 N ATOM 617 CA ALA A 57 0.782 -11.028 4.928 1.00 0.00 C ATOM 618 C ALA A 57 1.645 -9.864 4.450 1.00 0.00 C ATOM 619 O ALA A 57 1.499 -9.396 3.321 1.00 0.00 O ATOM 620 CB ALA A 57 1.647 -12.241 5.236 1.00 0.00 C ATOM 0 H ALA A 57 0.118 -11.958 3.174 1.00 0.00 H new ATOM 0 HA ALA A 57 0.273 -10.721 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.395 -11.974 5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.021 -13.046 5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.145 -12.573 4.325 1.00 0.00 H new ATOM 626 N LYS A 58 2.541 -9.399 5.315 1.00 0.00 N ATOM 627 CA LYS A 58 3.425 -8.284 4.980 1.00 0.00 C ATOM 628 C LYS A 58 4.080 -8.480 3.613 1.00 0.00 C ATOM 629 O LYS A 58 4.412 -7.511 2.930 1.00 0.00 O ATOM 630 CB LYS A 58 4.506 -8.124 6.053 1.00 0.00 C ATOM 631 CG LYS A 58 5.108 -9.442 6.511 1.00 0.00 C ATOM 632 CD LYS A 58 4.488 -9.913 7.817 1.00 0.00 C ATOM 633 CE LYS A 58 5.544 -10.425 8.784 1.00 0.00 C ATOM 634 NZ LYS A 58 4.945 -10.882 10.069 1.00 0.00 N ATOM 0 H LYS A 58 2.675 -9.776 6.253 1.00 0.00 H new ATOM 0 HA LYS A 58 2.817 -7.381 4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.300 -7.487 5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.078 -7.611 6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.957 -10.199 5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.184 -9.327 6.639 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.940 -9.091 8.278 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.766 -10.704 7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.089 -11.249 8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.269 -9.635 8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.697 -11.223 10.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.447 -10.089 10.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.272 -11.653 9.884 1.00 0.00 H new ATOM 648 N ARG A 59 4.264 -9.737 3.220 1.00 0.00 N ATOM 649 CA ARG A 59 4.880 -10.053 1.935 1.00 0.00 C ATOM 650 C ARG A 59 3.867 -10.686 0.982 1.00 0.00 C ATOM 651 O ARG A 59 2.796 -11.122 1.401 1.00 0.00 O ATOM 652 CB ARG A 59 6.066 -10.998 2.135 1.00 0.00 C ATOM 653 CG ARG A 59 7.362 -10.283 2.487 1.00 0.00 C ATOM 654 CD ARG A 59 7.735 -10.485 3.947 1.00 0.00 C ATOM 655 NE ARG A 59 8.350 -9.294 4.527 1.00 0.00 N ATOM 656 CZ ARG A 59 9.086 -9.304 5.635 1.00 0.00 C ATOM 657 NH1 ARG A 59 9.299 -10.439 6.289 1.00 0.00 N ATOM 658 NH2 ARG A 59 9.610 -8.174 6.093 1.00 0.00 N ATOM 0 H ARG A 59 3.996 -10.552 3.772 1.00 0.00 H new ATOM 0 HA ARG A 59 5.234 -9.122 1.493 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.825 -11.707 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.216 -11.577 1.224 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.166 -10.653 1.851 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.258 -9.218 2.282 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.842 -10.745 4.516 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.423 -11.326 4.032 1.00 0.00 H new ATOM 0 HE ARG A 59 8.207 -8.402 4.054 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.897 -11.310 5.943 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.864 -10.440 7.138 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.448 -7.298 5.595 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.174 -8.181 6.943 1.00 0.00 H new ATOM 672 N GLY A 60 4.220 -10.731 -0.300 1.00 0.00 N ATOM 673 CA GLY A 60 3.335 -11.313 -1.294 1.00 0.00 C ATOM 674 C GLY A 60 2.901 -10.311 -2.346 1.00 0.00 C ATOM 675 O GLY A 60 3.493 -10.232 -3.421 1.00 0.00 O ATOM 0 H GLY A 60 5.102 -10.375 -0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.839 -12.149 -1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.453 -11.718 -0.797 1.00 0.00 H new ATOM 679 N ARG A 61 1.861 -9.546 -2.034 1.00 0.00 N ATOM 680 CA ARG A 61 1.339 -8.542 -2.956 1.00 0.00 C ATOM 681 C ARG A 61 2.151 -7.254 -2.873 1.00 0.00 C ATOM 682 O ARG A 61 3.129 -7.166 -2.117 1.00 0.00 O ATOM 683 CB ARG A 61 -0.130 -8.249 -2.638 1.00 0.00 C ATOM 684 CG ARG A 61 -0.409 -8.082 -1.151 1.00 0.00 C ATOM 685 CD ARG A 61 -1.274 -6.861 -0.874 1.00 0.00 C ATOM 686 NE ARG A 61 -0.838 -6.139 0.319 1.00 0.00 N ATOM 687 CZ ARG A 61 -1.105 -6.529 1.563 1.00 0.00 C ATOM 688 NH1 ARG A 61 -1.807 -7.634 1.782 1.00 0.00 N ATOM 689 NH2 ARG A 61 -0.669 -5.811 2.589 1.00 0.00 N ATOM 0 H ARG A 61 1.361 -9.602 -1.147 1.00 0.00 H new ATOM 0 HA ARG A 61 1.417 -8.937 -3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.432 -7.341 -3.160 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.746 -9.060 -3.026 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.907 -8.974 -0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.534 -7.990 -0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.242 -6.192 -1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.311 -7.172 -0.750 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.296 -5.284 0.191 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.144 -8.188 0.995 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.009 -7.929 2.737 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.130 -4.961 2.424 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.873 -6.109 3.543 1.00 0.00 H new ATOM 703 N THR A 62 1.742 -6.242 -3.635 1.00 0.00 N ATOM 704 CA THR A 62 2.434 -4.960 -3.611 1.00 0.00 C ATOM 705 C THR A 62 1.450 -3.852 -3.272 1.00 0.00 C ATOM 706 O THR A 62 0.442 -3.671 -3.960 1.00 0.00 O ATOM 707 CB THR A 62 3.089 -4.682 -4.966 1.00 0.00 C ATOM 708 OG1 THR A 62 3.931 -5.755 -5.345 1.00 0.00 O ATOM 709 CG2 THR A 62 3.923 -3.418 -4.979 1.00 0.00 C ATOM 0 H THR A 62 0.944 -6.285 -4.269 1.00 0.00 H new ATOM 0 HA THR A 62 3.213 -4.994 -2.849 1.00 0.00 H new ATOM 0 HB THR A 62 2.263 -4.561 -5.667 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.339 -5.559 -6.214 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.359 -3.280 -5.968 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.291 -2.563 -4.738 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.720 -3.500 -4.240 1.00 0.00 H new ATOM 717 N PHE A 63 1.731 -3.101 -2.216 1.00 0.00 N ATOM 718 CA PHE A 63 0.838 -2.023 -1.820 1.00 0.00 C ATOM 719 C PHE A 63 1.612 -0.764 -1.385 1.00 0.00 C ATOM 720 O PHE A 63 2.797 -0.823 -1.038 1.00 0.00 O ATOM 721 CB PHE A 63 -0.061 -2.491 -0.674 1.00 0.00 C ATOM 722 CG PHE A 63 0.687 -2.815 0.588 1.00 0.00 C ATOM 723 CD1 PHE A 63 1.603 -3.853 0.621 1.00 0.00 C ATOM 724 CD2 PHE A 63 0.470 -2.081 1.745 1.00 0.00 C ATOM 725 CE1 PHE A 63 2.290 -4.155 1.781 1.00 0.00 C ATOM 726 CE2 PHE A 63 1.154 -2.378 2.909 1.00 0.00 C ATOM 727 CZ PHE A 63 2.065 -3.416 2.927 1.00 0.00 C ATOM 0 H PHE A 63 2.556 -3.215 -1.627 1.00 0.00 H new ATOM 0 HA PHE A 63 0.234 -1.760 -2.688 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.796 -1.715 -0.461 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.614 -3.374 -0.995 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.783 -4.434 -0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.241 -1.268 1.736 1.00 0.00 H new ATOM 0 HE1 PHE A 63 3.002 -4.967 1.792 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.976 -1.799 3.803 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.601 -3.650 3.835 1.00 0.00 H new ATOM 737 N ARG A 64 0.906 0.362 -1.360 1.00 0.00 N ATOM 738 CA ARG A 64 1.458 1.642 -0.914 1.00 0.00 C ATOM 739 C ARG A 64 0.553 2.159 0.201 1.00 0.00 C ATOM 740 O ARG A 64 -0.654 2.271 0.005 1.00 0.00 O ATOM 741 CB ARG A 64 1.513 2.644 -2.071 1.00 0.00 C ATOM 742 CG ARG A 64 2.922 3.104 -2.413 1.00 0.00 C ATOM 743 CD ARG A 64 2.907 4.412 -3.187 1.00 0.00 C ATOM 744 NE ARG A 64 3.147 4.208 -4.614 1.00 0.00 N ATOM 745 CZ ARG A 64 2.813 5.087 -5.556 1.00 0.00 C ATOM 746 NH1 ARG A 64 2.228 6.232 -5.228 1.00 0.00 N ATOM 747 NH2 ARG A 64 3.067 4.820 -6.829 1.00 0.00 N ATOM 0 H ARG A 64 -0.071 0.415 -1.650 1.00 0.00 H new ATOM 0 HA ARG A 64 2.479 1.513 -0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.063 2.191 -2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.908 3.514 -1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.498 3.229 -1.496 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.424 2.337 -3.003 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.944 4.904 -3.048 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.668 5.080 -2.784 1.00 0.00 H new ATOM 0 HE ARG A 64 3.597 3.340 -4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.032 6.443 -4.249 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.974 6.902 -5.954 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.518 3.942 -7.086 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.812 5.493 -7.552 1.00 0.00 H new ATOM 761 N VAL A 65 1.109 2.431 1.378 1.00 0.00 N ATOM 762 CA VAL A 65 0.285 2.857 2.508 1.00 0.00 C ATOM 763 C VAL A 65 0.441 4.325 2.899 1.00 0.00 C ATOM 764 O VAL A 65 1.546 4.868 2.951 1.00 0.00 O ATOM 765 CB VAL A 65 0.574 1.984 3.748 1.00 0.00 C ATOM 766 CG1 VAL A 65 1.993 2.212 4.248 1.00 0.00 C ATOM 767 CG2 VAL A 65 -0.441 2.257 4.849 1.00 0.00 C ATOM 0 H VAL A 65 2.108 2.366 1.574 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.741 2.731 2.163 1.00 0.00 H new ATOM 0 HB VAL A 65 0.482 0.938 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.176 1.587 5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.702 1.952 3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.119 3.260 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.218 1.631 5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.390 3.307 5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.443 2.029 4.485 1.00 0.00 H new ATOM 777 N TRP A 66 -0.702 4.930 3.214 1.00 0.00 N ATOM 778 CA TRP A 66 -0.787 6.313 3.658 1.00 0.00 C ATOM 779 C TRP A 66 -1.495 6.383 5.017 1.00 0.00 C ATOM 780 O TRP A 66 -2.632 5.910 5.181 1.00 0.00 O ATOM 781 CB TRP A 66 -1.565 7.171 2.658 1.00 0.00 C ATOM 782 CG TRP A 66 -1.249 6.905 1.218 1.00 0.00 C ATOM 783 CD1 TRP A 66 -0.052 7.092 0.589 1.00 0.00 C ATOM 784 CD2 TRP A 66 -2.159 6.431 0.222 1.00 0.00 C ATOM 785 NE1 TRP A 66 -0.165 6.764 -0.740 1.00 0.00 N ATOM 786 CE2 TRP A 66 -1.450 6.354 -0.990 1.00 0.00 C ATOM 787 CE3 TRP A 66 -3.508 6.062 0.237 1.00 0.00 C ATOM 788 CZ2 TRP A 66 -2.047 5.926 -2.173 1.00 0.00 C ATOM 789 CZ3 TRP A 66 -4.097 5.639 -0.933 1.00 0.00 C ATOM 790 CH2 TRP A 66 -3.369 5.575 -2.125 1.00 0.00 C ATOM 0 H TRP A 66 -1.608 4.463 3.166 1.00 0.00 H new ATOM 0 HA TRP A 66 0.230 6.697 3.739 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.631 7.011 2.816 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -1.366 8.221 2.871 1.00 0.00 H new ATOM 0 HD1 TRP A 66 0.850 7.446 1.066 1.00 0.00 H new ATOM 0 HE1 TRP A 66 0.585 6.817 -1.429 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.079 6.108 1.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -1.487 5.873 -3.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -5.138 5.352 -0.930 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -3.860 5.241 -3.027 1.00 0.00 H new ATOM 801 N TYR A 67 -0.806 6.988 5.981 1.00 0.00 N ATOM 802 CA TYR A 67 -1.326 7.148 7.333 1.00 0.00 C ATOM 803 C TYR A 67 -1.407 8.627 7.687 1.00 0.00 C ATOM 804 O TYR A 67 -0.732 9.454 7.075 1.00 0.00 O ATOM 805 CB TYR A 67 -0.415 6.422 8.329 1.00 0.00 C ATOM 806 CG TYR A 67 -1.112 5.964 9.590 1.00 0.00 C ATOM 807 CD1 TYR A 67 -1.419 6.859 10.606 1.00 0.00 C ATOM 808 CD2 TYR A 67 -1.460 4.630 9.765 1.00 0.00 C ATOM 809 CE1 TYR A 67 -2.051 6.440 11.762 1.00 0.00 C ATOM 810 CE2 TYR A 67 -2.093 4.203 10.917 1.00 0.00 C ATOM 811 CZ TYR A 67 -2.386 5.111 11.911 1.00 0.00 C ATOM 812 OH TYR A 67 -3.016 4.689 13.060 1.00 0.00 O ATOM 0 H TYR A 67 0.126 7.380 5.846 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.326 6.716 7.384 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.025 5.555 7.836 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.406 7.085 8.602 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.159 7.901 10.491 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.232 3.915 8.988 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.281 7.149 12.543 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.357 3.163 11.037 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.183 3.725 13.006 1.00 0.00 H new ATOM 822 N LYS A 68 -2.231 8.960 8.674 1.00 0.00 N ATOM 823 CA LYS A 68 -2.383 10.345 9.098 1.00 0.00 C ATOM 824 C LYS A 68 -1.104 10.848 9.766 1.00 0.00 C ATOM 825 O LYS A 68 -1.083 11.130 10.965 1.00 0.00 O ATOM 826 CB LYS A 68 -3.568 10.481 10.057 1.00 0.00 C ATOM 827 CG LYS A 68 -4.394 11.736 9.827 1.00 0.00 C ATOM 828 CD LYS A 68 -5.424 11.936 10.927 1.00 0.00 C ATOM 829 CE LYS A 68 -4.924 12.905 11.986 1.00 0.00 C ATOM 830 NZ LYS A 68 -6.046 13.575 12.700 1.00 0.00 N ATOM 0 H LYS A 68 -2.801 8.292 9.193 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.574 10.954 8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.212 9.608 9.952 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.197 10.483 11.082 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.735 12.603 9.782 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.898 11.669 8.863 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.351 12.313 10.495 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.655 10.977 11.390 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.305 12.369 12.705 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.290 13.658 11.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.663 14.227 13.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.623 14.108 12.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.637 12.858 13.168 1.00 0.00 H new ATOM 844 N GLY A 69 -0.036 10.956 8.979 1.00 0.00 N ATOM 845 CA GLY A 69 1.232 11.421 9.508 1.00 0.00 C ATOM 846 C GLY A 69 2.373 11.264 8.518 1.00 0.00 C ATOM 847 O GLY A 69 3.122 12.209 8.273 1.00 0.00 O ATOM 0 H GLY A 69 -0.028 10.729 7.985 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.141 12.470 9.788 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.467 10.868 10.417 1.00 0.00 H new ATOM 851 N LYS A 70 2.510 10.067 7.952 1.00 0.00 N ATOM 852 CA LYS A 70 3.575 9.797 6.988 1.00 0.00 C ATOM 853 C LYS A 70 3.143 8.748 5.964 1.00 0.00 C ATOM 854 O LYS A 70 2.128 8.069 6.141 1.00 0.00 O ATOM 855 CB LYS A 70 4.839 9.331 7.715 1.00 0.00 C ATOM 856 CG LYS A 70 6.061 10.185 7.416 1.00 0.00 C ATOM 857 CD LYS A 70 7.042 9.460 6.511 1.00 0.00 C ATOM 858 CE LYS A 70 8.321 10.260 6.322 1.00 0.00 C ATOM 859 NZ LYS A 70 9.056 10.441 7.604 1.00 0.00 N ATOM 0 H LYS A 70 1.900 9.272 8.143 1.00 0.00 H new ATOM 0 HA LYS A 70 3.788 10.723 6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.654 9.339 8.789 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.050 8.299 7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.748 11.116 6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.556 10.453 8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.281 8.486 6.938 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.578 9.278 5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.964 9.752 5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.080 11.236 5.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.031 10.743 7.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.579 11.166 8.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.071 9.541 8.125 1.00 0.00 H new ATOM 873 N ILE A 71 3.921 8.621 4.891 1.00 0.00 N ATOM 874 CA ILE A 71 3.622 7.656 3.837 1.00 0.00 C ATOM 875 C ILE A 71 4.831 6.773 3.528 1.00 0.00 C ATOM 876 O ILE A 71 5.961 7.255 3.446 1.00 0.00 O ATOM 877 CB ILE A 71 3.177 8.361 2.541 1.00 0.00 C ATOM 878 CG1 ILE A 71 4.246 9.354 2.084 1.00 0.00 C ATOM 879 CG2 ILE A 71 1.844 9.064 2.751 1.00 0.00 C ATOM 880 CD1 ILE A 71 3.980 9.942 0.714 1.00 0.00 C ATOM 0 H ILE A 71 4.763 9.174 4.729 1.00 0.00 H new ATOM 0 HA ILE A 71 2.808 7.033 4.207 1.00 0.00 H new ATOM 0 HB ILE A 71 3.049 7.611 1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.313 10.163 2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.214 8.854 2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.543 9.557 1.827 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.088 8.332 3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.945 9.807 3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.779 10.637 0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.943 9.141 -0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.027 10.471 0.724 1.00 0.00 H new ATOM 892 N MET A 72 4.584 5.478 3.355 1.00 0.00 N ATOM 893 CA MET A 72 5.648 4.523 3.050 1.00 0.00 C ATOM 894 C MET A 72 5.210 3.551 1.956 1.00 0.00 C ATOM 895 O MET A 72 4.015 3.379 1.709 1.00 0.00 O ATOM 896 CB MET A 72 6.042 3.751 4.310 1.00 0.00 C ATOM 897 CG MET A 72 7.303 2.920 4.146 1.00 0.00 C ATOM 898 SD MET A 72 8.758 3.925 3.800 1.00 0.00 S ATOM 899 CE MET A 72 9.150 4.526 5.440 1.00 0.00 C ATOM 0 H MET A 72 3.654 5.064 3.421 1.00 0.00 H new ATOM 0 HA MET A 72 6.512 5.080 2.689 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.186 4.457 5.128 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.220 3.095 4.596 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.473 2.342 5.055 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.159 2.205 3.336 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.336 5.599 5.399 1.00 0.00 H new ATOM 0 HE2 MET A 72 8.313 4.328 6.110 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.040 4.017 5.811 1.00 0.00 H new ATOM 909 N ARG A 73 6.177 2.914 1.304 1.00 0.00 N ATOM 910 CA ARG A 73 5.882 1.956 0.240 1.00 0.00 C ATOM 911 C ARG A 73 6.362 0.561 0.626 1.00 0.00 C ATOM 912 O ARG A 73 7.516 0.385 1.019 1.00 0.00 O ATOM 913 CB ARG A 73 6.544 2.393 -1.067 1.00 0.00 C ATOM 914 CG ARG A 73 5.851 1.860 -2.311 1.00 0.00 C ATOM 915 CD ARG A 73 6.840 1.229 -3.278 1.00 0.00 C ATOM 916 NE ARG A 73 6.185 0.316 -4.212 1.00 0.00 N ATOM 917 CZ ARG A 73 6.723 -0.079 -5.364 1.00 0.00 C ATOM 918 NH1 ARG A 73 7.924 0.355 -5.729 1.00 0.00 N ATOM 919 NH2 ARG A 73 6.059 -0.911 -6.155 1.00 0.00 N ATOM 0 H ARG A 73 7.171 3.042 1.492 1.00 0.00 H new ATOM 0 HA ARG A 73 4.802 1.926 0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.560 3.482 -1.109 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.581 2.058 -1.068 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.102 1.122 -2.023 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.322 2.672 -2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.352 2.013 -3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.602 0.688 -2.716 1.00 0.00 H new ATOM 0 HE ARG A 73 5.261 -0.040 -3.967 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.440 0.995 -5.125 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.330 0.048 -6.613 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.136 -1.248 -5.881 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.471 -1.214 -7.038 1.00 0.00 H new ATOM 933 N ILE A 74 5.481 -0.433 0.513 1.00 0.00 N ATOM 934 CA ILE A 74 5.846 -1.802 0.861 1.00 0.00 C ATOM 935 C ILE A 74 5.607 -2.759 -0.302 1.00 0.00 C ATOM 936 O ILE A 74 4.498 -2.860 -0.822 1.00 0.00 O ATOM 937 CB ILE A 74 5.054 -2.294 2.086 1.00 0.00 C ATOM 938 CG1 ILE A 74 5.149 -1.278 3.225 1.00 0.00 C ATOM 939 CG2 ILE A 74 5.564 -3.656 2.538 1.00 0.00 C ATOM 940 CD1 ILE A 74 3.929 -0.391 3.347 1.00 0.00 C ATOM 0 H ILE A 74 4.521 -0.317 0.187 1.00 0.00 H new ATOM 0 HA ILE A 74 6.910 -1.792 1.098 1.00 0.00 H new ATOM 0 HB ILE A 74 4.006 -2.397 1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.297 -1.810 4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.029 -0.653 3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.993 -3.989 3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.446 -4.376 1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.618 -3.580 2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.066 0.304 4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.792 0.169 2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.049 -1.007 3.532 1.00 0.00 H new ATOM 952 N LYS A 75 6.658 -3.474 -0.693 1.00 0.00 N ATOM 953 CA LYS A 75 6.566 -4.437 -1.784 1.00 0.00 C ATOM 954 C LYS A 75 7.040 -5.817 -1.331 1.00 0.00 C ATOM 955 O LYS A 75 8.154 -5.967 -0.830 1.00 0.00 O ATOM 956 CB LYS A 75 7.389 -3.968 -2.986 1.00 0.00 C ATOM 957 CG LYS A 75 8.796 -3.515 -2.631 1.00 0.00 C ATOM 958 CD LYS A 75 9.805 -4.637 -2.816 1.00 0.00 C ATOM 959 CE LYS A 75 10.909 -4.568 -1.773 1.00 0.00 C ATOM 960 NZ LYS A 75 12.068 -3.758 -2.241 1.00 0.00 N ATOM 0 H LYS A 75 7.583 -3.404 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 75 5.520 -4.510 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.451 -4.780 -3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.865 -3.146 -3.474 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.075 -2.667 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.819 -3.170 -1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.298 -5.599 -2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.240 -4.576 -3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.513 -4.137 -0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.245 -5.577 -1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.798 -3.736 -1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.463 -4.183 -3.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.754 -2.788 -2.446 1.00 0.00 H new ATOM 974 N GLY A 76 6.189 -6.823 -1.504 1.00 0.00 N ATOM 975 CA GLY A 76 6.547 -8.173 -1.105 1.00 0.00 C ATOM 976 C GLY A 76 6.587 -9.131 -2.278 1.00 0.00 C ATOM 977 O GLY A 76 5.685 -9.133 -3.116 1.00 0.00 O ATOM 0 H GLY A 76 5.259 -6.729 -1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.522 -8.158 -0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.829 -8.534 -0.369 1.00 0.00 H new ATOM 981 N ASP A 77 7.633 -9.948 -2.340 1.00 0.00 N ATOM 982 CA ASP A 77 7.785 -10.917 -3.421 1.00 0.00 C ATOM 983 C ASP A 77 7.913 -10.216 -4.770 1.00 0.00 C ATOM 984 O ASP A 77 6.964 -10.178 -5.553 1.00 0.00 O ATOM 985 CB ASP A 77 6.595 -11.880 -3.444 1.00 0.00 C ATOM 986 CG ASP A 77 6.963 -13.241 -4.001 1.00 0.00 C ATOM 987 OD1 ASP A 77 7.574 -14.040 -3.259 1.00 0.00 O ATOM 988 OD2 ASP A 77 6.641 -13.507 -5.177 1.00 0.00 O ATOM 0 H ASP A 77 8.388 -9.959 -1.655 1.00 0.00 H new ATOM 0 HA ASP A 77 8.698 -11.483 -3.239 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.207 -11.997 -2.432 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.794 -11.449 -4.045 1.00 0.00 H new TER 993 ASP A 77