USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 719 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 52 MET CE :methyl 143:sc= -0.525 (180deg=-0.648) USER MOD Set 1.2: A 88 TYR OH : rot 180:sc= -0.165 USER MOD Set 2.1: A 35 HIS :FLIP no HD1:sc= -0.322 F(o=-0.92,f=-0.32) USER MOD Set 2.2: A 73 THR OG1 : rot -175:sc= 0 USER MOD Set 3.1: A 36 MET CE :methyl -160:sc= -8.37! (180deg=-10.5!) USER MOD Set 3.2: A 57 TYR OH : rot -18:sc= -0.777 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.112 (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 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -99:sc= 0.144 USER MOD Single : A 26 SER OG : rot 117:sc= 0.055 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc=-0.00749 X(o=-0.0075,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot 173:sc= 0.234 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.253 K(o=-0.25,f=-2.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -176:sc= -10! (180deg=-10.1!) USER MOD Single : A 60 LYS NZ :NH3+ -119:sc= 0.0193 (180deg=0) USER MOD Single : A 63 MET CE :methyl 167:sc= -1.99 (180deg=-3.14!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -79:sc= 0.714 USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.792 F(o=-1.4,f=-0.79) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0339 USER MOD Single : A 83 SER OG : rot 19:sc= 0.455 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -13:sc= 0.732 USER MOD Single : A 96 SER OG : rot -160:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.201 10.154 -16.338 1.00 0.00 N ATOM 2 CA GLY A 1 19.989 8.953 -16.120 1.00 0.00 C ATOM 3 C GLY A 1 19.811 7.964 -17.274 1.00 0.00 C ATOM 4 O GLY A 1 19.034 8.212 -18.195 1.00 0.00 O ATOM 0 H1 GLY A 1 19.827 10.985 -16.338 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.713 10.088 -17.254 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.498 10.251 -15.578 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.042 9.217 -16.022 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.690 8.482 -15.183 1.00 0.00 H new ATOM 8 N SER A 2 20.545 6.864 -17.186 1.00 0.00 N ATOM 9 CA SER A 2 20.479 5.837 -18.212 1.00 0.00 C ATOM 10 C SER A 2 20.636 4.454 -17.577 1.00 0.00 C ATOM 11 O SER A 2 21.745 3.930 -17.488 1.00 0.00 O ATOM 12 CB SER A 2 21.551 6.056 -19.281 1.00 0.00 C ATOM 13 OG SER A 2 21.399 5.163 -20.381 1.00 0.00 O ATOM 0 H SER A 2 21.188 6.662 -16.420 1.00 0.00 H new ATOM 0 HA SER A 2 19.505 5.899 -18.697 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.501 7.084 -19.639 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.538 5.921 -18.838 1.00 0.00 H new ATOM 0 HG SER A 2 22.101 5.336 -21.042 1.00 0.00 H new ATOM 19 N SER A 3 19.509 3.901 -17.153 1.00 0.00 N ATOM 20 CA SER A 3 19.507 2.589 -16.529 1.00 0.00 C ATOM 21 C SER A 3 18.080 2.193 -16.147 1.00 0.00 C ATOM 22 O SER A 3 17.574 1.167 -16.599 1.00 0.00 O ATOM 23 CB SER A 3 20.414 2.563 -15.297 1.00 0.00 C ATOM 24 OG SER A 3 21.241 1.403 -15.267 1.00 0.00 O ATOM 0 H SER A 3 18.591 4.338 -17.229 1.00 0.00 H new ATOM 0 HA SER A 3 19.897 1.868 -17.248 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.040 3.455 -15.289 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.802 2.595 -14.396 1.00 0.00 H new ATOM 0 HG SER A 3 21.806 1.425 -14.467 1.00 0.00 H new ATOM 30 N GLY A 4 17.471 3.027 -15.317 1.00 0.00 N ATOM 31 CA GLY A 4 16.112 2.777 -14.868 1.00 0.00 C ATOM 32 C GLY A 4 15.826 3.506 -13.553 1.00 0.00 C ATOM 33 O GLY A 4 15.707 2.875 -12.504 1.00 0.00 O ATOM 0 H GLY A 4 17.894 3.877 -14.944 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.407 3.106 -15.631 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.961 1.706 -14.735 1.00 0.00 H new ATOM 37 N SER A 5 15.724 4.823 -13.653 1.00 0.00 N ATOM 38 CA SER A 5 15.455 5.644 -12.485 1.00 0.00 C ATOM 39 C SER A 5 14.314 6.618 -12.782 1.00 0.00 C ATOM 40 O SER A 5 14.205 7.132 -13.895 1.00 0.00 O ATOM 41 CB SER A 5 16.706 6.408 -12.049 1.00 0.00 C ATOM 42 OG SER A 5 17.070 6.112 -10.703 1.00 0.00 O ATOM 0 H SER A 5 15.823 5.342 -14.525 1.00 0.00 H new ATOM 0 HA SER A 5 15.160 4.988 -11.666 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.534 6.157 -12.712 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.530 7.479 -12.150 1.00 0.00 H new ATOM 0 HG SER A 5 17.874 6.618 -10.463 1.00 0.00 H new ATOM 48 N SER A 6 13.492 6.844 -11.768 1.00 0.00 N ATOM 49 CA SER A 6 12.363 7.749 -11.907 1.00 0.00 C ATOM 50 C SER A 6 12.810 9.043 -12.589 1.00 0.00 C ATOM 51 O SER A 6 13.826 9.627 -12.216 1.00 0.00 O ATOM 52 CB SER A 6 11.733 8.056 -10.547 1.00 0.00 C ATOM 53 OG SER A 6 10.397 8.535 -10.674 1.00 0.00 O ATOM 0 H SER A 6 13.585 6.416 -10.847 1.00 0.00 H new ATOM 0 HA SER A 6 11.609 7.262 -12.525 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.738 7.155 -9.933 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.337 8.800 -10.027 1.00 0.00 H new ATOM 0 HG SER A 6 10.029 8.718 -9.784 1.00 0.00 H new ATOM 59 N GLY A 7 12.029 9.454 -13.578 1.00 0.00 N ATOM 60 CA GLY A 7 12.332 10.668 -14.316 1.00 0.00 C ATOM 61 C GLY A 7 11.057 11.300 -14.879 1.00 0.00 C ATOM 62 O GLY A 7 9.995 11.216 -14.265 1.00 0.00 O ATOM 0 H GLY A 7 11.187 8.967 -13.885 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.836 11.379 -13.662 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.020 10.441 -15.130 1.00 0.00 H new ATOM 66 N GLY A 8 11.205 11.918 -16.041 1.00 0.00 N ATOM 67 CA GLY A 8 10.079 12.564 -16.695 1.00 0.00 C ATOM 68 C GLY A 8 9.409 13.574 -15.761 1.00 0.00 C ATOM 69 O GLY A 8 10.078 14.216 -14.953 1.00 0.00 O ATOM 0 H GLY A 8 12.088 11.985 -16.547 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.420 13.069 -17.599 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.353 11.812 -17.004 1.00 0.00 H new ATOM 73 N PRO A 9 8.061 13.685 -15.907 1.00 0.00 N ATOM 74 CA PRO A 9 7.293 14.606 -15.086 1.00 0.00 C ATOM 75 C PRO A 9 7.130 14.067 -13.663 1.00 0.00 C ATOM 76 O PRO A 9 7.355 12.884 -13.414 1.00 0.00 O ATOM 77 CB PRO A 9 5.970 14.772 -15.814 1.00 0.00 C ATOM 78 CG PRO A 9 5.864 13.588 -16.762 1.00 0.00 C ATOM 79 CD PRO A 9 7.236 12.940 -16.853 1.00 0.00 C ATOM 0 HA PRO A 9 7.787 15.570 -14.960 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.137 14.786 -15.111 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.941 15.714 -16.361 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.127 12.872 -16.398 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.531 13.916 -17.747 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.192 11.882 -16.593 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.638 13.003 -17.864 1.00 0.00 H new ATOM 87 N PRO A 10 6.729 14.985 -12.744 1.00 0.00 N ATOM 88 CA PRO A 10 6.532 14.614 -11.352 1.00 0.00 C ATOM 89 C PRO A 10 5.237 13.818 -11.175 1.00 0.00 C ATOM 90 O PRO A 10 4.313 13.943 -11.977 1.00 0.00 O ATOM 91 CB PRO A 10 6.530 15.929 -10.591 1.00 0.00 C ATOM 92 CG PRO A 10 6.260 17.009 -11.626 1.00 0.00 C ATOM 93 CD PRO A 10 6.452 16.395 -13.002 1.00 0.00 C ATOM 0 HA PRO A 10 7.314 13.954 -10.977 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.764 15.931 -9.816 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.486 16.094 -10.094 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.246 17.396 -11.519 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.939 17.850 -11.486 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.561 16.517 -13.618 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.276 16.869 -13.536 1.00 0.00 H new ATOM 101 N THR A 11 5.212 13.019 -10.119 1.00 0.00 N ATOM 102 CA THR A 11 4.045 12.203 -9.825 1.00 0.00 C ATOM 103 C THR A 11 2.772 13.048 -9.901 1.00 0.00 C ATOM 104 O THR A 11 2.835 14.276 -9.887 1.00 0.00 O ATOM 105 CB THR A 11 4.259 11.547 -8.460 1.00 0.00 C ATOM 106 OG1 THR A 11 3.114 10.715 -8.292 1.00 0.00 O ATOM 107 CG2 THR A 11 4.164 12.548 -7.307 1.00 0.00 C ATOM 0 H THR A 11 5.981 12.919 -9.456 1.00 0.00 H new ATOM 0 HA THR A 11 3.918 11.413 -10.565 1.00 0.00 H new ATOM 0 HB THR A 11 5.235 11.062 -8.440 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.171 10.249 -7.432 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.324 12.030 -6.361 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.924 13.319 -7.431 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.176 13.009 -7.306 1.00 0.00 H new ATOM 115 N ARG A 12 1.645 12.355 -9.980 1.00 0.00 N ATOM 116 CA ARG A 12 0.358 13.026 -10.058 1.00 0.00 C ATOM 117 C ARG A 12 -0.778 12.002 -10.012 1.00 0.00 C ATOM 118 O ARG A 12 -0.899 11.164 -10.904 1.00 0.00 O ATOM 119 CB ARG A 12 0.243 13.848 -11.343 1.00 0.00 C ATOM 120 CG ARG A 12 -0.071 15.312 -11.030 1.00 0.00 C ATOM 121 CD ARG A 12 -1.526 15.645 -11.366 1.00 0.00 C ATOM 122 NE ARG A 12 -2.005 16.749 -10.505 1.00 0.00 N ATOM 123 CZ ARG A 12 -1.652 18.032 -10.663 1.00 0.00 C ATOM 124 NH1 ARG A 12 -0.816 18.381 -11.650 1.00 0.00 N ATOM 125 NH2 ARG A 12 -2.136 18.967 -9.834 1.00 0.00 N ATOM 0 H ARG A 12 1.596 11.336 -9.992 1.00 0.00 H new ATOM 0 HA ARG A 12 0.281 13.697 -9.203 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.175 13.784 -11.905 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.540 13.432 -11.977 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.117 15.510 -9.975 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.595 15.960 -11.600 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.610 15.929 -12.415 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.152 14.764 -11.223 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.644 16.519 -9.744 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.448 17.670 -12.282 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.548 19.358 -11.770 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.773 18.702 -9.083 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.867 19.944 -9.954 1.00 0.00 H new ATOM 139 N ARG A 13 -1.581 12.103 -8.963 1.00 0.00 N ATOM 140 CA ARG A 13 -2.703 11.196 -8.789 1.00 0.00 C ATOM 141 C ARG A 13 -3.973 11.981 -8.454 1.00 0.00 C ATOM 142 O ARG A 13 -3.915 13.183 -8.202 1.00 0.00 O ATOM 143 CB ARG A 13 -2.426 10.186 -7.674 1.00 0.00 C ATOM 144 CG ARG A 13 -2.301 10.886 -6.319 1.00 0.00 C ATOM 145 CD ARG A 13 -0.865 11.355 -6.076 1.00 0.00 C ATOM 146 NE ARG A 13 -0.866 12.570 -5.231 1.00 0.00 N ATOM 147 CZ ARG A 13 0.224 13.305 -4.969 1.00 0.00 C ATOM 148 NH1 ARG A 13 1.409 12.952 -5.485 1.00 0.00 N ATOM 149 NH2 ARG A 13 0.128 14.392 -4.191 1.00 0.00 N ATOM 0 H ARG A 13 -1.477 12.799 -8.225 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.842 10.656 -9.726 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.231 9.452 -7.635 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.508 9.641 -7.892 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.978 11.740 -6.283 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.605 10.205 -5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.293 10.565 -5.590 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.376 11.564 -7.027 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.752 12.867 -4.822 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.481 12.124 -6.077 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.239 13.511 -5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.774 14.660 -3.798 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.957 14.951 -3.992 1.00 0.00 H new ATOM 163 N SER A 14 -5.090 11.268 -8.462 1.00 0.00 N ATOM 164 CA SER A 14 -6.372 11.883 -8.162 1.00 0.00 C ATOM 165 C SER A 14 -6.437 12.260 -6.681 1.00 0.00 C ATOM 166 O SER A 14 -6.046 13.363 -6.300 1.00 0.00 O ATOM 167 CB SER A 14 -7.528 10.949 -8.524 1.00 0.00 C ATOM 168 OG SER A 14 -7.702 10.836 -9.934 1.00 0.00 O ATOM 0 H SER A 14 -5.134 10.271 -8.671 1.00 0.00 H new ATOM 0 HA SER A 14 -6.468 12.786 -8.764 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.342 9.962 -8.101 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.449 11.320 -8.074 1.00 0.00 H new ATOM 0 HG SER A 14 -8.448 10.230 -10.124 1.00 0.00 H new ATOM 174 N ASP A 15 -6.935 11.324 -5.886 1.00 0.00 N ATOM 175 CA ASP A 15 -7.057 11.545 -4.455 1.00 0.00 C ATOM 176 C ASP A 15 -7.378 10.218 -3.765 1.00 0.00 C ATOM 177 O ASP A 15 -6.760 9.872 -2.759 1.00 0.00 O ATOM 178 CB ASP A 15 -8.188 12.526 -4.144 1.00 0.00 C ATOM 179 CG ASP A 15 -8.557 12.639 -2.663 1.00 0.00 C ATOM 180 OD1 ASP A 15 -7.896 11.946 -1.859 1.00 0.00 O ATOM 181 OD2 ASP A 15 -9.490 13.416 -2.368 1.00 0.00 O ATOM 0 H ASP A 15 -7.259 10.411 -6.206 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.114 11.957 -4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.903 13.513 -4.508 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.074 12.224 -4.702 1.00 0.00 H new ATOM 186 N PHE A 16 -8.344 9.511 -4.332 1.00 0.00 N ATOM 187 CA PHE A 16 -8.755 8.230 -3.784 1.00 0.00 C ATOM 188 C PHE A 16 -7.544 7.331 -3.523 1.00 0.00 C ATOM 189 O PHE A 16 -6.905 6.856 -4.460 1.00 0.00 O ATOM 190 CB PHE A 16 -9.653 7.564 -4.828 1.00 0.00 C ATOM 191 CG PHE A 16 -10.831 8.430 -5.279 1.00 0.00 C ATOM 192 CD1 PHE A 16 -11.703 8.924 -4.360 1.00 0.00 C ATOM 193 CD2 PHE A 16 -11.006 8.706 -6.599 1.00 0.00 C ATOM 194 CE1 PHE A 16 -12.796 9.728 -4.778 1.00 0.00 C ATOM 195 CE2 PHE A 16 -12.099 9.510 -7.018 1.00 0.00 C ATOM 196 CZ PHE A 16 -12.971 10.004 -6.099 1.00 0.00 C ATOM 0 H PHE A 16 -8.854 9.801 -5.166 1.00 0.00 H new ATOM 0 HA PHE A 16 -9.274 8.380 -2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.051 7.306 -5.699 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -10.038 6.630 -4.419 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.564 8.705 -3.312 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -10.313 8.314 -7.329 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.488 10.120 -4.048 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.238 9.729 -8.066 1.00 0.00 H new ATOM 0 HZ PHE A 16 -13.802 10.615 -6.417 1.00 0.00 H new ATOM 206 N ARG A 17 -7.265 7.126 -2.244 1.00 0.00 N ATOM 207 CA ARG A 17 -6.142 6.293 -1.847 1.00 0.00 C ATOM 208 C ARG A 17 -6.574 5.300 -0.766 1.00 0.00 C ATOM 209 O ARG A 17 -7.724 5.313 -0.330 1.00 0.00 O ATOM 210 CB ARG A 17 -4.986 7.144 -1.317 1.00 0.00 C ATOM 211 CG ARG A 17 -5.353 7.798 0.016 1.00 0.00 C ATOM 212 CD ARG A 17 -4.211 7.666 1.025 1.00 0.00 C ATOM 213 NE ARG A 17 -3.339 8.860 0.963 1.00 0.00 N ATOM 214 CZ ARG A 17 -3.557 9.986 1.655 1.00 0.00 C ATOM 215 NH1 ARG A 17 -4.619 10.079 2.466 1.00 0.00 N ATOM 216 NH2 ARG A 17 -2.712 11.019 1.536 1.00 0.00 N ATOM 0 H ARG A 17 -7.797 7.522 -1.469 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.803 5.750 -2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.100 6.522 -1.189 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.732 7.914 -2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.582 8.852 -0.143 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.253 7.333 0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.615 7.553 2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.629 6.769 0.812 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.521 8.823 0.355 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.262 9.292 2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.785 10.937 2.993 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.903 10.948 0.919 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.878 11.877 2.063 1.00 0.00 H new ATOM 230 N VAL A 18 -5.628 4.463 -0.365 1.00 0.00 N ATOM 231 CA VAL A 18 -5.896 3.466 0.657 1.00 0.00 C ATOM 232 C VAL A 18 -4.765 3.481 1.687 1.00 0.00 C ATOM 233 O VAL A 18 -3.610 3.221 1.351 1.00 0.00 O ATOM 234 CB VAL A 18 -6.096 2.094 0.009 1.00 0.00 C ATOM 235 CG1 VAL A 18 -7.348 2.080 -0.870 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.860 1.680 -0.792 1.00 0.00 C ATOM 0 H VAL A 18 -4.675 4.455 -0.729 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.820 3.699 1.186 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.238 1.365 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.467 1.094 -1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.223 2.310 -0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.248 2.827 -1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.029 0.702 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.673 2.413 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.996 1.630 -0.129 1.00 0.00 H new ATOM 246 N LEU A 19 -5.136 3.788 2.921 1.00 0.00 N ATOM 247 CA LEU A 19 -4.167 3.840 4.003 1.00 0.00 C ATOM 248 C LEU A 19 -3.928 2.426 4.537 1.00 0.00 C ATOM 249 O LEU A 19 -4.874 1.727 4.897 1.00 0.00 O ATOM 250 CB LEU A 19 -4.615 4.835 5.076 1.00 0.00 C ATOM 251 CG LEU A 19 -4.602 6.310 4.670 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.855 7.214 5.878 1.00 0.00 C ATOM 253 CD2 LEU A 19 -3.301 6.669 3.948 1.00 0.00 C ATOM 0 H LEU A 19 -6.094 4.003 3.196 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.209 4.209 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.626 4.573 5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.972 4.713 5.948 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.418 6.477 3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.840 8.257 5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.828 6.980 6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.077 7.050 6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.318 7.723 3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.455 6.481 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.203 6.059 3.050 1.00 0.00 H new ATOM 265 N VAL A 20 -2.659 2.048 4.571 1.00 0.00 N ATOM 266 CA VAL A 20 -2.284 0.730 5.055 1.00 0.00 C ATOM 267 C VAL A 20 -1.410 0.879 6.302 1.00 0.00 C ATOM 268 O VAL A 20 -0.554 1.760 6.362 1.00 0.00 O ATOM 269 CB VAL A 20 -1.602 -0.063 3.938 1.00 0.00 C ATOM 270 CG1 VAL A 20 -1.084 -1.406 4.457 1.00 0.00 C ATOM 271 CG2 VAL A 20 -2.547 -0.261 2.751 1.00 0.00 C ATOM 0 H VAL A 20 -1.877 2.631 4.271 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.169 0.163 5.344 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.745 0.515 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.604 -1.950 3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.361 -1.234 5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.917 -1.993 4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.038 -0.827 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.432 -0.808 3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.846 0.711 2.358 1.00 0.00 H new ATOM 281 N SER A 21 -1.656 0.004 7.266 1.00 0.00 N ATOM 282 CA SER A 21 -0.902 0.028 8.508 1.00 0.00 C ATOM 283 C SER A 21 -0.736 -1.395 9.047 1.00 0.00 C ATOM 284 O SER A 21 -1.716 -2.123 9.196 1.00 0.00 O ATOM 285 CB SER A 21 -1.585 0.914 9.551 1.00 0.00 C ATOM 286 OG SER A 21 -2.823 0.362 9.991 1.00 0.00 O ATOM 0 H SER A 21 -2.367 -0.726 7.212 1.00 0.00 H new ATOM 0 HA SER A 21 0.082 0.449 8.302 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.922 1.045 10.406 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.759 1.904 9.128 1.00 0.00 H new ATOM 0 HG SER A 21 -3.562 0.795 9.515 1.00 0.00 H new ATOM 292 N GLY A 22 0.510 -1.748 9.323 1.00 0.00 N ATOM 293 CA GLY A 22 0.817 -3.070 9.841 1.00 0.00 C ATOM 294 C GLY A 22 1.945 -3.725 9.042 1.00 0.00 C ATOM 295 O GLY A 22 2.357 -4.843 9.345 1.00 0.00 O ATOM 0 H GLY A 22 1.320 -1.141 9.198 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.105 -2.995 10.890 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.074 -3.697 9.799 1.00 0.00 H new ATOM 299 N LEU A 23 2.413 -2.999 8.037 1.00 0.00 N ATOM 300 CA LEU A 23 3.486 -3.495 7.192 1.00 0.00 C ATOM 301 C LEU A 23 4.528 -4.203 8.061 1.00 0.00 C ATOM 302 O LEU A 23 4.647 -3.917 9.251 1.00 0.00 O ATOM 303 CB LEU A 23 4.063 -2.364 6.339 1.00 0.00 C ATOM 304 CG LEU A 23 3.196 -1.897 5.169 1.00 0.00 C ATOM 305 CD1 LEU A 23 2.902 -3.052 4.209 1.00 0.00 C ATOM 306 CD2 LEU A 23 1.914 -1.228 5.669 1.00 0.00 C ATOM 0 H LEU A 23 2.069 -2.071 7.789 1.00 0.00 H new ATOM 0 HA LEU A 23 3.105 -4.233 6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.255 -1.509 6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.026 -2.688 5.945 1.00 0.00 H new ATOM 0 HG LEU A 23 3.754 -1.146 4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.284 -2.693 3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.839 -3.445 3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.373 -3.842 4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.316 -0.905 4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.342 -1.938 6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.170 -0.363 6.281 1.00 0.00 H new ATOM 318 N PRO A 24 5.275 -5.138 7.416 1.00 0.00 N ATOM 319 CA PRO A 24 6.303 -5.889 8.116 1.00 0.00 C ATOM 320 C PRO A 24 7.540 -5.024 8.367 1.00 0.00 C ATOM 321 O PRO A 24 7.612 -3.888 7.900 1.00 0.00 O ATOM 322 CB PRO A 24 6.588 -7.089 7.228 1.00 0.00 C ATOM 323 CG PRO A 24 6.052 -6.726 5.853 1.00 0.00 C ATOM 324 CD PRO A 24 5.162 -5.504 6.007 1.00 0.00 C ATOM 0 HA PRO A 24 5.986 -6.211 9.108 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.657 -7.300 7.187 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.101 -7.985 7.613 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.872 -6.517 5.167 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.488 -7.558 5.431 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.490 -4.691 5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.130 -5.729 5.738 1.00 0.00 H new ATOM 332 N PRO A 25 8.507 -5.609 9.123 1.00 0.00 N ATOM 333 CA PRO A 25 9.737 -4.904 9.441 1.00 0.00 C ATOM 334 C PRO A 25 10.668 -4.851 8.229 1.00 0.00 C ATOM 335 O PRO A 25 11.589 -4.037 8.183 1.00 0.00 O ATOM 336 CB PRO A 25 10.333 -5.663 10.616 1.00 0.00 C ATOM 337 CG PRO A 25 9.663 -7.027 10.613 1.00 0.00 C ATOM 338 CD PRO A 25 8.455 -6.952 9.693 1.00 0.00 C ATOM 0 HA PRO A 25 9.567 -3.860 9.703 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.414 -5.758 10.512 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.148 -5.139 11.554 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.358 -7.793 10.268 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.358 -7.304 11.622 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.501 -7.714 8.915 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.528 -7.113 10.243 1.00 0.00 H new ATOM 346 N SER A 26 10.397 -5.731 7.276 1.00 0.00 N ATOM 347 CA SER A 26 11.199 -5.795 6.066 1.00 0.00 C ATOM 348 C SER A 26 10.318 -5.547 4.840 1.00 0.00 C ATOM 349 O SER A 26 10.762 -5.724 3.707 1.00 0.00 O ATOM 350 CB SER A 26 11.908 -7.146 5.946 1.00 0.00 C ATOM 351 OG SER A 26 12.962 -7.282 6.896 1.00 0.00 O ATOM 0 H SER A 26 9.633 -6.406 7.317 1.00 0.00 H new ATOM 0 HA SER A 26 11.962 -5.018 6.120 1.00 0.00 H new ATOM 0 HB2 SER A 26 11.185 -7.949 6.089 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.311 -7.256 4.939 1.00 0.00 H new ATOM 0 HG SER A 26 12.762 -8.025 7.503 1.00 0.00 H new ATOM 357 N GLY A 27 9.086 -5.143 5.109 1.00 0.00 N ATOM 358 CA GLY A 27 8.138 -4.869 4.042 1.00 0.00 C ATOM 359 C GLY A 27 8.717 -3.871 3.037 1.00 0.00 C ATOM 360 O GLY A 27 9.674 -3.160 3.344 1.00 0.00 O ATOM 0 H GLY A 27 8.722 -4.999 6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.881 -5.797 3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.215 -4.472 4.464 1.00 0.00 H new ATOM 364 N SER A 28 8.113 -3.848 1.858 1.00 0.00 N ATOM 365 CA SER A 28 8.557 -2.948 0.807 1.00 0.00 C ATOM 366 C SER A 28 7.351 -2.422 0.026 1.00 0.00 C ATOM 367 O SER A 28 6.356 -3.127 -0.136 1.00 0.00 O ATOM 368 CB SER A 28 9.538 -3.646 -0.137 1.00 0.00 C ATOM 369 OG SER A 28 10.543 -4.365 0.573 1.00 0.00 O ATOM 0 H SER A 28 7.320 -4.438 1.607 1.00 0.00 H new ATOM 0 HA SER A 28 9.076 -2.109 1.270 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.992 -4.331 -0.785 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.010 -2.905 -0.782 1.00 0.00 H new ATOM 0 HG SER A 28 11.148 -4.797 -0.065 1.00 0.00 H new ATOM 375 N TRP A 29 7.480 -1.188 -0.438 1.00 0.00 N ATOM 376 CA TRP A 29 6.414 -0.559 -1.199 1.00 0.00 C ATOM 377 C TRP A 29 6.197 -1.376 -2.474 1.00 0.00 C ATOM 378 O TRP A 29 5.066 -1.726 -2.807 1.00 0.00 O ATOM 379 CB TRP A 29 6.733 0.911 -1.478 1.00 0.00 C ATOM 380 CG TRP A 29 8.055 1.132 -2.216 1.00 0.00 C ATOM 381 CD1 TRP A 29 9.231 1.518 -1.703 1.00 0.00 C ATOM 382 CD2 TRP A 29 8.289 0.963 -3.630 1.00 0.00 C ATOM 383 NE1 TRP A 29 10.202 1.610 -2.679 1.00 0.00 N ATOM 384 CE2 TRP A 29 9.611 1.262 -3.888 1.00 0.00 C ATOM 385 CE3 TRP A 29 7.412 0.570 -4.657 1.00 0.00 C ATOM 386 CZ2 TRP A 29 10.175 1.199 -5.168 1.00 0.00 C ATOM 387 CZ3 TRP A 29 7.992 0.513 -5.930 1.00 0.00 C ATOM 388 CH2 TRP A 29 9.321 0.811 -6.207 1.00 0.00 C ATOM 0 H TRP A 29 8.307 -0.607 -0.302 1.00 0.00 H new ATOM 0 HA TRP A 29 5.485 -0.552 -0.628 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.924 1.342 -2.067 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.762 1.452 -0.532 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.398 1.730 -0.657 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.175 1.883 -2.539 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.374 0.331 -4.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 11.214 1.437 -5.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.362 0.216 -6.755 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.693 0.744 -7.219 1.00 0.00 H new ATOM 399 N GLN A 30 7.300 -1.657 -3.153 1.00 0.00 N ATOM 400 CA GLN A 30 7.245 -2.426 -4.385 1.00 0.00 C ATOM 401 C GLN A 30 6.278 -3.602 -4.233 1.00 0.00 C ATOM 402 O GLN A 30 5.187 -3.591 -4.802 1.00 0.00 O ATOM 403 CB GLN A 30 8.638 -2.911 -4.791 1.00 0.00 C ATOM 404 CG GLN A 30 9.011 -2.400 -6.184 1.00 0.00 C ATOM 405 CD GLN A 30 9.423 -3.555 -7.100 1.00 0.00 C ATOM 406 OE1 GLN A 30 8.612 -4.353 -7.538 1.00 0.00 O ATOM 407 NE2 GLN A 30 10.726 -3.598 -7.363 1.00 0.00 N ATOM 0 H GLN A 30 8.237 -1.366 -2.873 1.00 0.00 H new ATOM 0 HA GLN A 30 6.876 -1.777 -5.180 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.373 -2.566 -4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.665 -4.001 -4.780 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.164 -1.870 -6.620 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.829 -1.684 -6.106 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.350 -2.898 -6.963 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.101 -4.331 -7.965 1.00 0.00 H new ATOM 416 N ASP A 31 6.712 -4.588 -3.463 1.00 0.00 N ATOM 417 CA ASP A 31 5.899 -5.769 -3.229 1.00 0.00 C ATOM 418 C ASP A 31 4.517 -5.341 -2.732 1.00 0.00 C ATOM 419 O ASP A 31 3.499 -5.826 -3.224 1.00 0.00 O ATOM 420 CB ASP A 31 6.527 -6.669 -2.162 1.00 0.00 C ATOM 421 CG ASP A 31 7.048 -8.013 -2.675 1.00 0.00 C ATOM 422 OD1 ASP A 31 8.234 -8.050 -3.066 1.00 0.00 O ATOM 423 OD2 ASP A 31 6.247 -8.973 -2.664 1.00 0.00 O ATOM 0 H ASP A 31 7.617 -4.593 -2.993 1.00 0.00 H new ATOM 0 HA ASP A 31 5.827 -6.319 -4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.352 -6.131 -1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.787 -6.856 -1.384 1.00 0.00 H new ATOM 428 N LEU A 32 4.525 -4.437 -1.763 1.00 0.00 N ATOM 429 CA LEU A 32 3.285 -3.938 -1.194 1.00 0.00 C ATOM 430 C LEU A 32 2.321 -3.573 -2.325 1.00 0.00 C ATOM 431 O LEU A 32 1.183 -4.040 -2.351 1.00 0.00 O ATOM 432 CB LEU A 32 3.564 -2.785 -0.228 1.00 0.00 C ATOM 433 CG LEU A 32 2.337 -2.033 0.291 1.00 0.00 C ATOM 434 CD1 LEU A 32 2.686 -1.202 1.528 1.00 0.00 C ATOM 435 CD2 LEU A 32 1.708 -1.181 -0.813 1.00 0.00 C ATOM 0 H LEU A 32 5.371 -4.037 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 32 2.801 -4.712 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.113 -3.179 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.220 -2.071 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 32 1.591 -2.767 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.796 -0.677 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.052 -1.859 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.458 -0.476 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.838 -0.657 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.437 -0.454 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.400 -1.824 -1.638 1.00 0.00 H new ATOM 447 N LYS A 33 2.811 -2.741 -3.232 1.00 0.00 N ATOM 448 CA LYS A 33 2.008 -2.308 -4.362 1.00 0.00 C ATOM 449 C LYS A 33 1.495 -3.535 -5.118 1.00 0.00 C ATOM 450 O LYS A 33 0.287 -3.733 -5.240 1.00 0.00 O ATOM 451 CB LYS A 33 2.796 -1.331 -5.238 1.00 0.00 C ATOM 452 CG LYS A 33 1.869 -0.588 -6.202 1.00 0.00 C ATOM 453 CD LYS A 33 2.665 0.347 -7.116 1.00 0.00 C ATOM 454 CE LYS A 33 2.767 -0.226 -8.530 1.00 0.00 C ATOM 455 NZ LYS A 33 3.569 0.668 -9.395 1.00 0.00 N ATOM 0 H LYS A 33 3.755 -2.355 -3.207 1.00 0.00 H new ATOM 0 HA LYS A 33 1.133 -1.756 -4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.321 -0.614 -4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.554 -1.874 -5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.314 -1.307 -6.805 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.136 -0.013 -5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.184 1.325 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.664 0.497 -6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.224 -1.215 -8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.769 -0.350 -8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.628 0.264 -10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.117 1.603 -9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.526 0.766 -9.001 1.00 0.00 H new ATOM 469 N ASP A 34 2.438 -4.327 -5.606 1.00 0.00 N ATOM 470 CA ASP A 34 2.097 -5.530 -6.346 1.00 0.00 C ATOM 471 C ASP A 34 0.855 -6.171 -5.724 1.00 0.00 C ATOM 472 O ASP A 34 0.043 -6.770 -6.427 1.00 0.00 O ATOM 473 CB ASP A 34 3.234 -6.551 -6.293 1.00 0.00 C ATOM 474 CG ASP A 34 4.459 -6.200 -7.140 1.00 0.00 C ATOM 475 OD1 ASP A 34 4.380 -5.178 -7.855 1.00 0.00 O ATOM 476 OD2 ASP A 34 5.446 -6.963 -7.054 1.00 0.00 O ATOM 0 H ASP A 34 3.439 -4.159 -5.503 1.00 0.00 H new ATOM 0 HA ASP A 34 1.915 -5.248 -7.383 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.549 -6.668 -5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.850 -7.517 -6.620 1.00 0.00 H new ATOM 481 N HIS A 35 0.748 -6.025 -4.411 1.00 0.00 N ATOM 482 CA HIS A 35 -0.381 -6.583 -3.686 1.00 0.00 C ATOM 483 C HIS A 35 -1.588 -5.652 -3.821 1.00 0.00 C ATOM 484 O HIS A 35 -2.671 -6.086 -4.212 1.00 0.00 O ATOM 485 CB HIS A 35 -0.007 -6.862 -2.229 1.00 0.00 C ATOM 486 CG HIS A 35 -1.099 -7.533 -1.432 1.00 0.00 C ATOM 487 ND1 HIS A 35 -2.409 -7.195 -1.255 1.00 0.00 N flip ATOM 488 CD2 HIS A 35 -0.893 -8.692 -0.705 1.00 0.00 C flip ATOM 489 CE1 HIS A 35 -2.972 -8.100 -0.463 1.00 0.00 C flip ATOM 490 NE2 HIS A 35 -2.034 -9.028 -0.121 1.00 0.00 N flip ATOM 0 H HIS A 35 1.424 -5.529 -3.831 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.657 -7.544 -4.119 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.883 -7.491 -2.207 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.256 -5.921 -1.746 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.039 -9.231 -0.627 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.003 -8.101 -0.143 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -2.184 -9.839 0.479 1.00 0.00 H new ATOM 498 N MET A 36 -1.362 -4.390 -3.488 1.00 0.00 N ATOM 499 CA MET A 36 -2.417 -3.394 -3.567 1.00 0.00 C ATOM 500 C MET A 36 -3.005 -3.329 -4.978 1.00 0.00 C ATOM 501 O MET A 36 -4.217 -3.198 -5.144 1.00 0.00 O ATOM 502 CB MET A 36 -1.856 -2.024 -3.183 1.00 0.00 C ATOM 503 CG MET A 36 -1.503 -1.973 -1.695 1.00 0.00 C ATOM 504 SD MET A 36 -2.948 -2.336 -0.712 1.00 0.00 S ATOM 505 CE MET A 36 -4.205 -1.553 -1.709 1.00 0.00 C ATOM 0 H MET A 36 -0.463 -4.034 -3.163 1.00 0.00 H new ATOM 0 HA MET A 36 -3.211 -3.677 -2.876 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.968 -1.811 -3.778 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.588 -1.250 -3.413 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.714 -2.692 -1.475 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.117 -0.987 -1.438 1.00 0.00 H new ATOM 0 HE1 MET A 36 -5.090 -1.368 -1.100 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.826 -0.607 -2.096 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.468 -2.206 -2.541 1.00 0.00 H new ATOM 515 N ARG A 37 -2.119 -3.423 -5.959 1.00 0.00 N ATOM 516 CA ARG A 37 -2.535 -3.376 -7.350 1.00 0.00 C ATOM 517 C ARG A 37 -3.827 -4.172 -7.545 1.00 0.00 C ATOM 518 O ARG A 37 -4.610 -3.880 -8.448 1.00 0.00 O ATOM 519 CB ARG A 37 -1.451 -3.943 -8.268 1.00 0.00 C ATOM 520 CG ARG A 37 -0.106 -3.257 -8.019 1.00 0.00 C ATOM 521 CD ARG A 37 0.634 -3.006 -9.335 1.00 0.00 C ATOM 522 NE ARG A 37 0.553 -4.206 -10.197 1.00 0.00 N ATOM 523 CZ ARG A 37 0.946 -4.238 -11.478 1.00 0.00 C ATOM 524 NH1 ARG A 37 1.448 -3.136 -12.053 1.00 0.00 N ATOM 525 NH2 ARG A 37 0.835 -5.371 -12.185 1.00 0.00 N ATOM 0 H ARG A 37 -1.115 -3.531 -5.818 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.705 -2.331 -7.610 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.352 -5.016 -8.101 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.744 -3.808 -9.309 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.267 -2.311 -7.502 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.507 -3.877 -7.366 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.199 -2.149 -9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.677 -2.762 -9.135 1.00 0.00 H new ATOM 0 HE ARG A 37 0.175 -5.062 -9.791 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.531 -2.273 -11.516 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.747 -3.161 -13.028 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.451 -6.209 -11.748 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.134 -5.395 -13.160 1.00 0.00 H new ATOM 539 N GLU A 38 -4.010 -5.162 -6.684 1.00 0.00 N ATOM 540 CA GLU A 38 -5.194 -6.002 -6.750 1.00 0.00 C ATOM 541 C GLU A 38 -6.383 -5.202 -7.286 1.00 0.00 C ATOM 542 O GLU A 38 -7.170 -5.712 -8.083 1.00 0.00 O ATOM 543 CB GLU A 38 -5.513 -6.609 -5.382 1.00 0.00 C ATOM 544 CG GLU A 38 -5.138 -8.091 -5.339 1.00 0.00 C ATOM 545 CD GLU A 38 -5.760 -8.849 -6.514 1.00 0.00 C ATOM 546 OE1 GLU A 38 -6.991 -9.058 -6.466 1.00 0.00 O ATOM 547 OE2 GLU A 38 -4.990 -9.201 -7.433 1.00 0.00 O ATOM 0 H GLU A 38 -3.358 -5.401 -5.937 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.995 -6.824 -7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.970 -6.070 -4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.575 -6.493 -5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.053 -8.196 -5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.476 -8.528 -4.400 1.00 0.00 H new ATOM 554 N ALA A 39 -6.477 -3.963 -6.827 1.00 0.00 N ATOM 555 CA ALA A 39 -7.557 -3.088 -7.251 1.00 0.00 C ATOM 556 C ALA A 39 -7.410 -2.789 -8.744 1.00 0.00 C ATOM 557 O ALA A 39 -8.101 -3.382 -9.570 1.00 0.00 O ATOM 558 CB ALA A 39 -7.549 -1.817 -6.398 1.00 0.00 C ATOM 0 H ALA A 39 -5.823 -3.544 -6.166 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.523 -3.572 -7.106 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.359 -1.160 -6.716 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.686 -2.082 -5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.596 -1.303 -6.520 1.00 0.00 H new ATOM 564 N GLY A 40 -6.504 -1.870 -9.044 1.00 0.00 N ATOM 565 CA GLY A 40 -6.257 -1.485 -10.424 1.00 0.00 C ATOM 566 C GLY A 40 -4.811 -1.022 -10.614 1.00 0.00 C ATOM 567 O GLY A 40 -3.879 -1.684 -10.159 1.00 0.00 O ATOM 0 H GLY A 40 -5.932 -1.381 -8.356 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.462 -2.329 -11.083 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.939 -0.684 -10.710 1.00 0.00 H new ATOM 571 N ASP A 41 -4.670 0.111 -11.285 1.00 0.00 N ATOM 572 CA ASP A 41 -3.353 0.670 -11.541 1.00 0.00 C ATOM 573 C ASP A 41 -2.972 1.610 -10.395 1.00 0.00 C ATOM 574 O ASP A 41 -3.694 2.560 -10.101 1.00 0.00 O ATOM 575 CB ASP A 41 -3.341 1.478 -12.840 1.00 0.00 C ATOM 576 CG ASP A 41 -2.040 1.397 -13.640 1.00 0.00 C ATOM 577 OD1 ASP A 41 -0.973 1.386 -12.989 1.00 0.00 O ATOM 578 OD2 ASP A 41 -2.141 1.347 -14.885 1.00 0.00 O ATOM 0 H ASP A 41 -5.446 0.657 -11.659 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.646 -0.155 -11.624 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.160 1.134 -13.472 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.539 2.523 -12.602 1.00 0.00 H new ATOM 583 N VAL A 42 -1.837 1.311 -9.780 1.00 0.00 N ATOM 584 CA VAL A 42 -1.351 2.117 -8.673 1.00 0.00 C ATOM 585 C VAL A 42 -0.491 3.259 -9.219 1.00 0.00 C ATOM 586 O VAL A 42 0.478 3.022 -9.938 1.00 0.00 O ATOM 587 CB VAL A 42 -0.606 1.234 -7.671 1.00 0.00 C ATOM 588 CG1 VAL A 42 -0.447 1.945 -6.326 1.00 0.00 C ATOM 589 CG2 VAL A 42 -1.309 -0.114 -7.498 1.00 0.00 C ATOM 0 H VAL A 42 -1.240 0.522 -10.027 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.184 2.567 -8.133 1.00 0.00 H new ATOM 0 HB VAL A 42 0.390 1.043 -8.070 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.086 1.295 -5.632 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.117 2.867 -6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.431 2.180 -5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.758 -0.722 -6.780 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.323 0.049 -7.133 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.347 -0.630 -8.457 1.00 0.00 H new ATOM 599 N CYS A 43 -0.877 4.473 -8.856 1.00 0.00 N ATOM 600 CA CYS A 43 -0.154 5.652 -9.301 1.00 0.00 C ATOM 601 C CYS A 43 0.912 5.984 -8.254 1.00 0.00 C ATOM 602 O CYS A 43 1.955 6.546 -8.583 1.00 0.00 O ATOM 603 CB CYS A 43 -1.095 6.832 -9.551 1.00 0.00 C ATOM 604 SG CYS A 43 -0.126 8.332 -9.949 1.00 0.00 S ATOM 0 H CYS A 43 -1.681 4.666 -8.259 1.00 0.00 H new ATOM 0 HA CYS A 43 0.327 5.448 -10.257 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.774 6.599 -10.372 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.711 7.010 -8.669 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.931 9.284 -10.315 1.00 0.00 H new ATOM 610 N TYR A 44 0.612 5.623 -7.015 1.00 0.00 N ATOM 611 CA TYR A 44 1.532 5.875 -5.919 1.00 0.00 C ATOM 612 C TYR A 44 1.604 4.673 -4.976 1.00 0.00 C ATOM 613 O TYR A 44 0.580 4.075 -4.647 1.00 0.00 O ATOM 614 CB TYR A 44 0.960 7.073 -5.157 1.00 0.00 C ATOM 615 CG TYR A 44 1.889 7.619 -4.071 1.00 0.00 C ATOM 616 CD1 TYR A 44 2.048 6.927 -2.887 1.00 0.00 C ATOM 617 CD2 TYR A 44 2.566 8.804 -4.274 1.00 0.00 C ATOM 618 CE1 TYR A 44 2.922 7.442 -1.865 1.00 0.00 C ATOM 619 CE2 TYR A 44 3.440 9.319 -3.251 1.00 0.00 C ATOM 620 CZ TYR A 44 3.575 8.612 -2.097 1.00 0.00 C ATOM 621 OH TYR A 44 4.400 9.098 -1.131 1.00 0.00 O ATOM 0 H TYR A 44 -0.255 5.158 -6.746 1.00 0.00 H new ATOM 0 HA TYR A 44 2.538 6.060 -6.296 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.739 7.870 -5.867 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.014 6.782 -4.700 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.517 6.000 -2.727 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.441 9.346 -5.200 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.056 6.911 -0.934 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.976 10.245 -3.397 1.00 0.00 H new ATOM 0 HH TYR A 44 4.800 9.940 -1.435 1.00 0.00 H new ATOM 631 N ALA A 45 2.823 4.354 -4.567 1.00 0.00 N ATOM 632 CA ALA A 45 3.042 3.234 -3.668 1.00 0.00 C ATOM 633 C ALA A 45 4.307 3.485 -2.845 1.00 0.00 C ATOM 634 O ALA A 45 5.391 3.652 -3.403 1.00 0.00 O ATOM 635 CB ALA A 45 3.120 1.938 -4.477 1.00 0.00 C ATOM 0 H ALA A 45 3.670 4.852 -4.842 1.00 0.00 H new ATOM 0 HA ALA A 45 2.210 3.134 -2.971 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.284 1.098 -3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.186 1.791 -5.019 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.945 2.001 -5.186 1.00 0.00 H new ATOM 641 N ASP A 46 4.127 3.504 -1.533 1.00 0.00 N ATOM 642 CA ASP A 46 5.241 3.732 -0.628 1.00 0.00 C ATOM 643 C ASP A 46 4.939 3.077 0.721 1.00 0.00 C ATOM 644 O ASP A 46 3.823 2.615 0.955 1.00 0.00 O ATOM 645 CB ASP A 46 5.459 5.228 -0.389 1.00 0.00 C ATOM 646 CG ASP A 46 6.909 5.635 -0.120 1.00 0.00 C ATOM 647 OD1 ASP A 46 7.318 5.534 1.057 1.00 0.00 O ATOM 648 OD2 ASP A 46 7.576 6.038 -1.097 1.00 0.00 O ATOM 0 H ASP A 46 3.226 3.365 -1.075 1.00 0.00 H new ATOM 0 HA ASP A 46 6.136 3.305 -1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.099 5.776 -1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.847 5.538 0.458 1.00 0.00 H new ATOM 653 N VAL A 47 5.953 3.057 1.573 1.00 0.00 N ATOM 654 CA VAL A 47 5.810 2.466 2.893 1.00 0.00 C ATOM 655 C VAL A 47 6.544 3.333 3.918 1.00 0.00 C ATOM 656 O VAL A 47 7.622 3.855 3.637 1.00 0.00 O ATOM 657 CB VAL A 47 6.303 1.017 2.873 1.00 0.00 C ATOM 658 CG1 VAL A 47 7.610 0.893 2.087 1.00 0.00 C ATOM 659 CG2 VAL A 47 6.464 0.474 4.294 1.00 0.00 C ATOM 0 H VAL A 47 6.877 3.441 1.375 1.00 0.00 H new ATOM 0 HA VAL A 47 4.761 2.435 3.186 1.00 0.00 H new ATOM 0 HB VAL A 47 5.550 0.413 2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.938 -0.146 2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.450 1.221 1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.375 1.516 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.815 -0.557 4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.188 1.082 4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.503 0.509 4.808 1.00 0.00 H new ATOM 669 N GLN A 48 5.931 3.460 5.085 1.00 0.00 N ATOM 670 CA GLN A 48 6.512 4.255 6.154 1.00 0.00 C ATOM 671 C GLN A 48 7.054 3.345 7.258 1.00 0.00 C ATOM 672 O GLN A 48 6.625 2.199 7.389 1.00 0.00 O ATOM 673 CB GLN A 48 5.494 5.250 6.713 1.00 0.00 C ATOM 674 CG GLN A 48 5.515 6.560 5.923 1.00 0.00 C ATOM 675 CD GLN A 48 5.207 7.753 6.830 1.00 0.00 C ATOM 676 OE1 GLN A 48 4.959 7.616 8.016 1.00 0.00 O ATOM 677 NE2 GLN A 48 5.238 8.928 6.207 1.00 0.00 N ATOM 0 H GLN A 48 5.037 3.026 5.314 1.00 0.00 H new ATOM 0 HA GLN A 48 7.343 4.829 5.743 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.496 4.814 6.674 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.714 5.450 7.762 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.493 6.694 5.460 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.784 6.514 5.116 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.453 8.972 5.211 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.047 9.785 6.726 1.00 0.00 H new ATOM 686 N LYS A 49 7.987 3.889 8.024 1.00 0.00 N ATOM 687 CA LYS A 49 8.592 3.141 9.113 1.00 0.00 C ATOM 688 C LYS A 49 7.490 2.574 10.010 1.00 0.00 C ATOM 689 O LYS A 49 6.314 2.885 9.827 1.00 0.00 O ATOM 690 CB LYS A 49 9.607 4.008 9.861 1.00 0.00 C ATOM 691 CG LYS A 49 8.938 5.252 10.449 1.00 0.00 C ATOM 692 CD LYS A 49 9.345 6.509 9.677 1.00 0.00 C ATOM 693 CE LYS A 49 9.794 7.617 10.632 1.00 0.00 C ATOM 694 NZ LYS A 49 8.713 8.610 10.820 1.00 0.00 N ATOM 0 H LYS A 49 8.339 4.840 7.912 1.00 0.00 H new ATOM 0 HA LYS A 49 9.157 2.293 8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.068 3.427 10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.406 4.307 9.182 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.855 5.136 10.417 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.217 5.358 11.497 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.153 6.270 8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.505 6.859 9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.071 7.186 11.594 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.682 8.109 10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.035 9.355 11.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.468 9.034 9.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.875 8.140 11.219 1.00 0.00 H new ATOM 708 N ASP A 50 7.909 1.751 10.960 1.00 0.00 N ATOM 709 CA ASP A 50 6.972 1.137 11.886 1.00 0.00 C ATOM 710 C ASP A 50 6.211 0.019 11.169 1.00 0.00 C ATOM 711 O ASP A 50 6.233 -1.130 11.606 1.00 0.00 O ATOM 712 CB ASP A 50 5.949 2.156 12.390 1.00 0.00 C ATOM 713 CG ASP A 50 5.641 2.077 13.887 1.00 0.00 C ATOM 714 OD1 ASP A 50 6.608 1.886 14.656 1.00 0.00 O ATOM 715 OD2 ASP A 50 4.446 2.209 14.229 1.00 0.00 O ATOM 0 H ASP A 50 8.885 1.495 11.109 1.00 0.00 H new ATOM 0 HA ASP A 50 7.540 0.747 12.731 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.313 3.158 12.162 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.020 2.021 11.836 1.00 0.00 H new ATOM 720 N GLY A 51 5.557 0.396 10.080 1.00 0.00 N ATOM 721 CA GLY A 51 4.792 -0.560 9.299 1.00 0.00 C ATOM 722 C GLY A 51 3.580 0.110 8.647 1.00 0.00 C ATOM 723 O GLY A 51 2.480 -0.442 8.660 1.00 0.00 O ATOM 0 H GLY A 51 5.541 1.350 9.720 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.428 -0.998 8.529 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.460 -1.376 9.941 1.00 0.00 H new ATOM 727 N MET A 52 3.822 1.289 8.093 1.00 0.00 N ATOM 728 CA MET A 52 2.764 2.039 7.438 1.00 0.00 C ATOM 729 C MET A 52 2.919 1.991 5.917 1.00 0.00 C ATOM 730 O MET A 52 4.027 1.829 5.407 1.00 0.00 O ATOM 731 CB MET A 52 2.804 3.494 7.909 1.00 0.00 C ATOM 732 CG MET A 52 1.841 3.719 9.077 1.00 0.00 C ATOM 733 SD MET A 52 0.904 5.216 8.817 1.00 0.00 S ATOM 734 CE MET A 52 -0.531 4.545 7.996 1.00 0.00 C ATOM 0 H MET A 52 4.735 1.743 8.084 1.00 0.00 H new ATOM 0 HA MET A 52 1.807 1.588 7.701 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.818 3.754 8.214 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.540 4.155 7.083 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.165 2.869 9.171 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.399 3.787 10.011 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.421 5.083 8.321 1.00 0.00 H new ATOM 0 HE2 MET A 52 -0.416 4.652 6.917 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.633 3.489 8.247 1.00 0.00 H new ATOM 744 N GLY A 53 1.792 2.134 5.235 1.00 0.00 N ATOM 745 CA GLY A 53 1.789 2.108 3.782 1.00 0.00 C ATOM 746 C GLY A 53 0.767 3.098 3.219 1.00 0.00 C ATOM 747 O GLY A 53 -0.193 3.459 3.898 1.00 0.00 O ATOM 0 H GLY A 53 0.875 2.268 5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.783 2.354 3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.557 1.102 3.433 1.00 0.00 H new ATOM 751 N MET A 54 1.008 3.509 1.982 1.00 0.00 N ATOM 752 CA MET A 54 0.121 4.450 1.320 1.00 0.00 C ATOM 753 C MET A 54 0.125 4.234 -0.195 1.00 0.00 C ATOM 754 O MET A 54 1.172 4.313 -0.834 1.00 0.00 O ATOM 755 CB MET A 54 0.568 5.880 1.633 1.00 0.00 C ATOM 756 CG MET A 54 -0.591 6.865 1.466 1.00 0.00 C ATOM 757 SD MET A 54 -0.059 8.279 0.516 1.00 0.00 S ATOM 758 CE MET A 54 -0.183 7.608 -1.134 1.00 0.00 C ATOM 0 H MET A 54 1.805 3.207 1.421 1.00 0.00 H new ATOM 0 HA MET A 54 -0.892 4.287 1.689 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.949 5.931 2.653 1.00 0.00 H new ATOM 0 HB3 MET A 54 1.388 6.162 0.972 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.427 6.375 0.967 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.949 7.187 2.444 1.00 0.00 H new ATOM 0 HE1 MET A 54 0.182 8.341 -1.853 1.00 0.00 H new ATOM 0 HE2 MET A 54 0.417 6.701 -1.204 1.00 0.00 H new ATOM 0 HE3 MET A 54 -1.224 7.372 -1.354 1.00 0.00 H new ATOM 768 N VAL A 55 -1.060 3.965 -0.725 1.00 0.00 N ATOM 769 CA VAL A 55 -1.207 3.737 -2.152 1.00 0.00 C ATOM 770 C VAL A 55 -2.382 4.563 -2.678 1.00 0.00 C ATOM 771 O VAL A 55 -3.434 4.627 -2.043 1.00 0.00 O ATOM 772 CB VAL A 55 -1.356 2.240 -2.430 1.00 0.00 C ATOM 773 CG1 VAL A 55 -0.049 1.649 -2.964 1.00 0.00 C ATOM 774 CG2 VAL A 55 -1.825 1.494 -1.180 1.00 0.00 C ATOM 0 H VAL A 55 -1.927 3.900 -0.191 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.315 4.066 -2.685 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.119 2.116 -3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.182 0.584 -3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.225 2.151 -3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.742 1.791 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.923 0.432 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.097 1.630 -0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.790 1.888 -0.862 1.00 0.00 H new ATOM 784 N GLU A 56 -2.165 5.174 -3.833 1.00 0.00 N ATOM 785 CA GLU A 56 -3.194 5.993 -4.452 1.00 0.00 C ATOM 786 C GLU A 56 -3.636 5.376 -5.780 1.00 0.00 C ATOM 787 O GLU A 56 -2.803 5.044 -6.622 1.00 0.00 O ATOM 788 CB GLU A 56 -2.706 7.430 -4.650 1.00 0.00 C ATOM 789 CG GLU A 56 -2.444 8.110 -3.304 1.00 0.00 C ATOM 790 CD GLU A 56 -3.096 9.494 -3.254 1.00 0.00 C ATOM 791 OE1 GLU A 56 -4.205 9.620 -3.816 1.00 0.00 O ATOM 792 OE2 GLU A 56 -2.469 10.395 -2.655 1.00 0.00 O ATOM 0 H GLU A 56 -1.292 5.119 -4.357 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.055 6.026 -3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.793 7.429 -5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.450 7.997 -5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.835 7.490 -2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.370 8.204 -3.142 1.00 0.00 H new ATOM 799 N TYR A 57 -4.946 5.242 -5.927 1.00 0.00 N ATOM 800 CA TYR A 57 -5.509 4.671 -7.139 1.00 0.00 C ATOM 801 C TYR A 57 -5.989 5.768 -8.090 1.00 0.00 C ATOM 802 O TYR A 57 -6.215 6.903 -7.671 1.00 0.00 O ATOM 803 CB TYR A 57 -6.711 3.836 -6.693 1.00 0.00 C ATOM 804 CG TYR A 57 -6.336 2.508 -6.032 1.00 0.00 C ATOM 805 CD1 TYR A 57 -5.688 1.533 -6.763 1.00 0.00 C ATOM 806 CD2 TYR A 57 -6.646 2.285 -4.706 1.00 0.00 C ATOM 807 CE1 TYR A 57 -5.335 0.283 -6.141 1.00 0.00 C ATOM 808 CE2 TYR A 57 -6.294 1.035 -4.084 1.00 0.00 C ATOM 809 CZ TYR A 57 -5.655 0.096 -4.833 1.00 0.00 C ATOM 810 OH TYR A 57 -5.322 -1.085 -4.245 1.00 0.00 O ATOM 0 H TYR A 57 -5.634 5.519 -5.227 1.00 0.00 H new ATOM 0 HA TYR A 57 -4.762 4.079 -7.667 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.308 4.422 -5.994 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.341 3.634 -7.559 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.446 1.707 -7.801 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.153 3.048 -4.134 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.827 -0.488 -6.701 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.532 0.847 -3.047 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.143 -1.756 -4.937 1.00 0.00 H new ATOM 820 N LEU A 58 -6.131 5.392 -9.352 1.00 0.00 N ATOM 821 CA LEU A 58 -6.581 6.331 -10.367 1.00 0.00 C ATOM 822 C LEU A 58 -8.108 6.286 -10.455 1.00 0.00 C ATOM 823 O LEU A 58 -8.731 7.218 -10.963 1.00 0.00 O ATOM 824 CB LEU A 58 -5.880 6.057 -11.699 1.00 0.00 C ATOM 825 CG LEU A 58 -4.368 6.294 -11.722 1.00 0.00 C ATOM 826 CD1 LEU A 58 -3.842 6.335 -13.158 1.00 0.00 C ATOM 827 CD2 LEU A 58 -3.999 7.555 -10.939 1.00 0.00 C ATOM 0 H LEU A 58 -5.943 4.450 -9.696 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.306 7.350 -10.093 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.070 5.021 -11.981 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.338 6.684 -12.464 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.882 5.454 -11.225 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.765 6.505 -13.146 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.055 5.386 -13.651 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.331 7.144 -13.702 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.919 7.700 -10.971 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.495 8.418 -11.384 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.320 7.447 -9.903 1.00 0.00 H new ATOM 839 N ARG A 59 -8.666 5.195 -9.953 1.00 0.00 N ATOM 840 CA ARG A 59 -10.108 5.017 -9.969 1.00 0.00 C ATOM 841 C ARG A 59 -10.645 4.900 -8.541 1.00 0.00 C ATOM 842 O ARG A 59 -10.049 4.222 -7.705 1.00 0.00 O ATOM 843 CB ARG A 59 -10.500 3.766 -10.758 1.00 0.00 C ATOM 844 CG ARG A 59 -9.858 3.770 -12.147 1.00 0.00 C ATOM 845 CD ARG A 59 -10.613 4.703 -13.097 1.00 0.00 C ATOM 846 NE ARG A 59 -10.378 4.294 -14.500 1.00 0.00 N ATOM 847 CZ ARG A 59 -11.068 4.768 -15.546 1.00 0.00 C ATOM 848 NH1 ARG A 59 -12.041 5.669 -15.354 1.00 0.00 N ATOM 849 NH2 ARG A 59 -10.787 4.340 -16.784 1.00 0.00 N ATOM 0 H ARG A 59 -8.146 4.425 -9.532 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.544 5.890 -10.454 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.189 2.875 -10.212 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.585 3.718 -10.855 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.818 4.087 -12.070 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.853 2.758 -12.552 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.680 4.676 -12.875 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.283 5.731 -12.949 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.645 3.608 -14.682 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.256 5.994 -14.411 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.566 6.030 -16.150 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.047 3.653 -16.931 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.313 4.701 -17.580 1.00 0.00 H new ATOM 863 N LYS A 60 -11.763 5.570 -8.306 1.00 0.00 N ATOM 864 CA LYS A 60 -12.386 5.549 -6.994 1.00 0.00 C ATOM 865 C LYS A 60 -12.680 4.101 -6.596 1.00 0.00 C ATOM 866 O LYS A 60 -12.283 3.656 -5.521 1.00 0.00 O ATOM 867 CB LYS A 60 -13.619 6.455 -6.971 1.00 0.00 C ATOM 868 CG LYS A 60 -14.218 6.531 -5.566 1.00 0.00 C ATOM 869 CD LYS A 60 -15.634 7.110 -5.604 1.00 0.00 C ATOM 870 CE LYS A 60 -16.359 6.872 -4.278 1.00 0.00 C ATOM 871 NZ LYS A 60 -17.718 6.338 -4.520 1.00 0.00 N ATOM 0 H LYS A 60 -12.254 6.131 -9.002 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.707 5.955 -6.244 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.346 7.455 -7.308 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.366 6.076 -7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.240 5.536 -5.122 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.585 7.150 -4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.588 8.179 -5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.196 6.652 -6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.790 6.172 -3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.423 7.805 -3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.424 6.997 -4.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.871 6.227 -5.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.816 5.414 -4.054 1.00 0.00 H new ATOM 885 N GLU A 61 -13.375 3.406 -7.486 1.00 0.00 N ATOM 886 CA GLU A 61 -13.727 2.018 -7.241 1.00 0.00 C ATOM 887 C GLU A 61 -12.513 1.247 -6.720 1.00 0.00 C ATOM 888 O GLU A 61 -12.578 0.621 -5.663 1.00 0.00 O ATOM 889 CB GLU A 61 -14.290 1.365 -8.505 1.00 0.00 C ATOM 890 CG GLU A 61 -15.787 1.087 -8.358 1.00 0.00 C ATOM 891 CD GLU A 61 -16.157 -0.265 -8.972 1.00 0.00 C ATOM 892 OE1 GLU A 61 -15.416 -1.234 -8.698 1.00 0.00 O ATOM 893 OE2 GLU A 61 -17.172 -0.299 -9.701 1.00 0.00 O ATOM 0 H GLU A 61 -13.703 3.779 -8.377 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.506 1.989 -6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.120 2.017 -9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.761 0.433 -8.704 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.061 1.098 -7.303 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.357 1.879 -8.844 1.00 0.00 H new ATOM 900 N ASP A 62 -11.434 1.316 -7.485 1.00 0.00 N ATOM 901 CA ASP A 62 -10.207 0.632 -7.113 1.00 0.00 C ATOM 902 C ASP A 62 -9.972 0.796 -5.610 1.00 0.00 C ATOM 903 O ASP A 62 -9.708 -0.180 -4.910 1.00 0.00 O ATOM 904 CB ASP A 62 -9.002 1.225 -7.847 1.00 0.00 C ATOM 905 CG ASP A 62 -8.973 0.968 -9.355 1.00 0.00 C ATOM 906 OD1 ASP A 62 -9.906 0.288 -9.833 1.00 0.00 O ATOM 907 OD2 ASP A 62 -8.017 1.458 -9.995 1.00 0.00 O ATOM 0 H ASP A 62 -11.384 1.835 -8.361 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.312 -0.419 -7.382 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.986 2.301 -7.677 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.091 0.819 -7.407 1.00 0.00 H new ATOM 912 N MET A 63 -10.077 2.037 -5.159 1.00 0.00 N ATOM 913 CA MET A 63 -9.880 2.341 -3.752 1.00 0.00 C ATOM 914 C MET A 63 -10.767 1.459 -2.871 1.00 0.00 C ATOM 915 O MET A 63 -10.270 0.595 -2.150 1.00 0.00 O ATOM 916 CB MET A 63 -10.208 3.813 -3.496 1.00 0.00 C ATOM 917 CG MET A 63 -9.665 4.268 -2.140 1.00 0.00 C ATOM 918 SD MET A 63 -10.032 5.996 -1.885 1.00 0.00 S ATOM 919 CE MET A 63 -11.715 6.047 -2.479 1.00 0.00 C ATOM 0 H MET A 63 -10.296 2.844 -5.743 1.00 0.00 H new ATOM 0 HA MET A 63 -8.838 2.143 -3.500 1.00 0.00 H new ATOM 0 HB2 MET A 63 -9.780 4.428 -4.288 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.288 3.959 -3.527 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.109 3.672 -1.343 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.588 4.106 -2.097 1.00 0.00 H new ATOM 0 HE1 MET A 63 -12.177 6.989 -2.183 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.720 5.966 -3.566 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.277 5.217 -2.051 1.00 0.00 H new ATOM 929 N GLU A 64 -12.066 1.707 -2.957 1.00 0.00 N ATOM 930 CA GLU A 64 -13.027 0.947 -2.177 1.00 0.00 C ATOM 931 C GLU A 64 -12.838 -0.552 -2.417 1.00 0.00 C ATOM 932 O GLU A 64 -12.851 -1.342 -1.474 1.00 0.00 O ATOM 933 CB GLU A 64 -14.459 1.377 -2.501 1.00 0.00 C ATOM 934 CG GLU A 64 -14.637 2.883 -2.299 1.00 0.00 C ATOM 935 CD GLU A 64 -16.099 3.228 -2.007 1.00 0.00 C ATOM 936 OE1 GLU A 64 -16.668 2.572 -1.108 1.00 0.00 O ATOM 937 OE2 GLU A 64 -16.615 4.140 -2.689 1.00 0.00 O ATOM 0 H GLU A 64 -12.475 2.424 -3.556 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.851 1.152 -1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.697 1.114 -3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.158 0.836 -1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.008 3.220 -1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.305 3.415 -3.191 1.00 0.00 H new ATOM 944 N TYR A 65 -12.666 -0.900 -3.684 1.00 0.00 N ATOM 945 CA TYR A 65 -12.474 -2.290 -4.060 1.00 0.00 C ATOM 946 C TYR A 65 -11.376 -2.940 -3.216 1.00 0.00 C ATOM 947 O TYR A 65 -11.651 -3.821 -2.403 1.00 0.00 O ATOM 948 CB TYR A 65 -12.033 -2.274 -5.525 1.00 0.00 C ATOM 949 CG TYR A 65 -11.665 -3.652 -6.079 1.00 0.00 C ATOM 950 CD1 TYR A 65 -10.404 -4.170 -5.860 1.00 0.00 C ATOM 951 CD2 TYR A 65 -12.593 -4.377 -6.798 1.00 0.00 C ATOM 952 CE1 TYR A 65 -10.058 -5.466 -6.381 1.00 0.00 C ATOM 953 CE2 TYR A 65 -12.247 -5.674 -7.319 1.00 0.00 C ATOM 954 CZ TYR A 65 -10.997 -6.154 -7.085 1.00 0.00 C ATOM 955 OH TYR A 65 -10.669 -7.379 -7.578 1.00 0.00 O ATOM 0 H TYR A 65 -12.656 -0.242 -4.464 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.391 -2.859 -3.906 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.835 -1.853 -6.131 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.174 -1.611 -5.628 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.677 -3.602 -5.298 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.579 -3.972 -6.970 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.075 -5.883 -6.217 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.964 -6.252 -7.883 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.436 -7.755 -8.058 1.00 0.00 H new ATOM 965 N ALA A 66 -10.153 -2.479 -3.437 1.00 0.00 N ATOM 966 CA ALA A 66 -9.012 -3.004 -2.707 1.00 0.00 C ATOM 967 C ALA A 66 -9.254 -2.842 -1.205 1.00 0.00 C ATOM 968 O ALA A 66 -8.888 -3.712 -0.416 1.00 0.00 O ATOM 969 CB ALA A 66 -7.738 -2.295 -3.171 1.00 0.00 C ATOM 0 H ALA A 66 -9.928 -1.748 -4.111 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.885 -4.068 -2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.882 -2.689 -2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.595 -2.465 -4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.828 -1.225 -2.983 1.00 0.00 H new ATOM 975 N LEU A 67 -9.870 -1.722 -0.855 1.00 0.00 N ATOM 976 CA LEU A 67 -10.166 -1.435 0.539 1.00 0.00 C ATOM 977 C LEU A 67 -10.875 -2.638 1.164 1.00 0.00 C ATOM 978 O LEU A 67 -10.381 -3.223 2.126 1.00 0.00 O ATOM 979 CB LEU A 67 -10.950 -0.127 0.661 1.00 0.00 C ATOM 980 CG LEU A 67 -10.116 1.157 0.667 1.00 0.00 C ATOM 981 CD1 LEU A 67 -11.011 2.392 0.549 1.00 0.00 C ATOM 982 CD2 LEU A 67 -9.213 1.219 1.901 1.00 0.00 C ATOM 0 H LEU A 67 -10.172 -1.003 -1.512 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.245 -1.281 1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.658 -0.073 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.535 -0.161 1.580 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.465 1.146 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.394 3.290 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.574 2.345 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.703 2.421 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.632 2.141 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.826 1.197 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.537 0.364 1.901 1.00 0.00 H new ATOM 994 N ARG A 68 -12.022 -2.971 0.591 1.00 0.00 N ATOM 995 CA ARG A 68 -12.805 -4.094 1.080 1.00 0.00 C ATOM 996 C ARG A 68 -12.118 -5.414 0.724 1.00 0.00 C ATOM 997 O ARG A 68 -11.684 -6.149 1.609 1.00 0.00 O ATOM 998 CB ARG A 68 -14.214 -4.084 0.484 1.00 0.00 C ATOM 999 CG ARG A 68 -14.939 -2.778 0.814 1.00 0.00 C ATOM 1000 CD ARG A 68 -16.451 -2.998 0.908 1.00 0.00 C ATOM 1001 NE ARG A 68 -17.167 -1.754 0.549 1.00 0.00 N ATOM 1002 CZ ARG A 68 -17.230 -1.254 -0.692 1.00 0.00 C ATOM 1003 NH1 ARG A 68 -16.619 -1.890 -1.702 1.00 0.00 N ATOM 1004 NH2 ARG A 68 -17.903 -0.119 -0.925 1.00 0.00 N ATOM 0 H ARG A 68 -12.428 -2.483 -0.207 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.880 -3.999 2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.156 -4.209 -0.597 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.783 -4.928 0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.567 -2.380 1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -14.723 -2.034 0.047 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -16.751 -3.806 0.241 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -16.720 -3.303 1.919 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.643 -1.245 1.294 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.107 -2.754 -1.525 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.667 -1.510 -2.647 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -18.368 0.365 -0.157 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.950 0.261 -1.870 1.00 0.00 H new ATOM 1018 N LYS A 69 -12.041 -5.674 -0.572 1.00 0.00 N ATOM 1019 CA LYS A 69 -11.414 -6.893 -1.055 1.00 0.00 C ATOM 1020 C LYS A 69 -10.228 -7.242 -0.155 1.00 0.00 C ATOM 1021 O LYS A 69 -10.215 -8.296 0.480 1.00 0.00 O ATOM 1022 CB LYS A 69 -11.045 -6.755 -2.534 1.00 0.00 C ATOM 1023 CG LYS A 69 -12.220 -7.146 -3.432 1.00 0.00 C ATOM 1024 CD LYS A 69 -13.266 -6.030 -3.483 1.00 0.00 C ATOM 1025 CE LYS A 69 -14.382 -6.370 -4.472 1.00 0.00 C ATOM 1026 NZ LYS A 69 -15.675 -5.823 -4.003 1.00 0.00 N ATOM 0 H LYS A 69 -12.402 -5.062 -1.303 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.112 -7.729 -1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.749 -5.727 -2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.186 -7.387 -2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.859 -7.357 -4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.678 -8.062 -3.059 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.689 -5.878 -2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.790 -5.094 -3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.143 -5.962 -5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.458 -7.451 -4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.422 -6.063 -4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.909 -6.232 -3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.604 -4.789 -3.917 1.00 0.00 H new ATOM 1040 N LEU A 70 -9.259 -6.339 -0.128 1.00 0.00 N ATOM 1041 CA LEU A 70 -8.071 -6.538 0.684 1.00 0.00 C ATOM 1042 C LEU A 70 -8.463 -6.530 2.163 1.00 0.00 C ATOM 1043 O LEU A 70 -8.309 -7.536 2.855 1.00 0.00 O ATOM 1044 CB LEU A 70 -6.998 -5.508 0.326 1.00 0.00 C ATOM 1045 CG LEU A 70 -6.734 -5.306 -1.167 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -5.780 -4.133 -1.401 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -6.224 -6.596 -1.813 1.00 0.00 C ATOM 0 H LEU A 70 -9.273 -5.467 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.626 -7.511 0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.285 -4.549 0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.064 -5.805 0.803 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.678 -5.055 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.609 -4.011 -2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.219 -3.221 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.831 -4.331 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.044 -6.425 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.295 -6.901 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.969 -7.382 -1.693 1.00 0.00 H new ATOM 1059 N ASP A 71 -8.961 -5.385 2.604 1.00 0.00 N ATOM 1060 CA ASP A 71 -9.376 -5.233 3.988 1.00 0.00 C ATOM 1061 C ASP A 71 -8.697 -6.307 4.841 1.00 0.00 C ATOM 1062 O ASP A 71 -9.257 -7.381 5.053 1.00 0.00 O ATOM 1063 CB ASP A 71 -10.889 -5.402 4.132 1.00 0.00 C ATOM 1064 CG ASP A 71 -11.419 -5.295 5.563 1.00 0.00 C ATOM 1065 OD1 ASP A 71 -11.256 -4.202 6.148 1.00 0.00 O ATOM 1066 OD2 ASP A 71 -11.976 -6.308 6.040 1.00 0.00 O ATOM 0 H ASP A 71 -9.087 -4.553 2.027 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.092 -4.233 4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.383 -4.647 3.520 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.171 -6.374 3.728 1.00 0.00 H new ATOM 1071 N ASP A 72 -7.500 -5.979 5.306 1.00 0.00 N ATOM 1072 CA ASP A 72 -6.739 -6.903 6.130 1.00 0.00 C ATOM 1073 C ASP A 72 -6.370 -8.134 5.301 1.00 0.00 C ATOM 1074 O ASP A 72 -7.214 -8.991 5.044 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.560 -7.372 7.333 1.00 0.00 C ATOM 1076 CG ASP A 72 -6.737 -7.875 8.521 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -5.532 -7.545 8.557 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -7.331 -8.579 9.365 1.00 0.00 O ATOM 0 H ASP A 72 -7.039 -5.087 5.128 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.847 -6.385 6.482 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.188 -6.547 7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.228 -8.170 7.009 1.00 0.00 H new ATOM 1083 N THR A 73 -5.106 -8.183 4.904 1.00 0.00 N ATOM 1084 CA THR A 73 -4.615 -9.296 4.109 1.00 0.00 C ATOM 1085 C THR A 73 -3.212 -9.700 4.567 1.00 0.00 C ATOM 1086 O THR A 73 -2.583 -8.991 5.352 1.00 0.00 O ATOM 1087 CB THR A 73 -4.679 -8.889 2.636 1.00 0.00 C ATOM 1088 OG1 THR A 73 -4.191 -7.550 2.624 1.00 0.00 O ATOM 1089 CG2 THR A 73 -6.116 -8.766 2.124 1.00 0.00 C ATOM 0 H THR A 73 -4.408 -7.471 5.118 1.00 0.00 H new ATOM 0 HA THR A 73 -5.235 -10.182 4.244 1.00 0.00 H new ATOM 0 HB THR A 73 -4.140 -9.621 2.034 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.271 -7.181 1.720 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.104 -8.475 1.074 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.623 -9.725 2.229 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.645 -8.010 2.704 1.00 0.00 H new ATOM 1097 N LYS A 74 -2.762 -10.837 4.058 1.00 0.00 N ATOM 1098 CA LYS A 74 -1.445 -11.343 4.404 1.00 0.00 C ATOM 1099 C LYS A 74 -0.432 -10.880 3.355 1.00 0.00 C ATOM 1100 O LYS A 74 -0.316 -11.484 2.290 1.00 0.00 O ATOM 1101 CB LYS A 74 -1.487 -12.862 4.590 1.00 0.00 C ATOM 1102 CG LYS A 74 -0.081 -13.426 4.807 1.00 0.00 C ATOM 1103 CD LYS A 74 -0.135 -14.921 5.127 1.00 0.00 C ATOM 1104 CE LYS A 74 0.453 -15.749 3.982 1.00 0.00 C ATOM 1105 NZ LYS A 74 0.619 -17.160 4.395 1.00 0.00 N ATOM 0 H LYS A 74 -3.286 -11.423 3.408 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.120 -10.936 5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.118 -13.110 5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.938 -13.327 3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.522 -13.263 3.914 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.407 -12.893 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.417 -15.120 6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.168 -15.221 5.305 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.201 -15.693 3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.416 -15.335 3.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.019 -17.708 3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.261 -17.209 5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.306 -17.556 4.657 1.00 0.00 H new ATOM 1119 N PHE A 75 0.274 -9.811 3.693 1.00 0.00 N ATOM 1120 CA PHE A 75 1.273 -9.259 2.794 1.00 0.00 C ATOM 1121 C PHE A 75 2.620 -9.962 2.973 1.00 0.00 C ATOM 1122 O PHE A 75 3.086 -10.141 4.097 1.00 0.00 O ATOM 1123 CB PHE A 75 1.430 -7.780 3.153 1.00 0.00 C ATOM 1124 CG PHE A 75 2.527 -7.062 2.364 1.00 0.00 C ATOM 1125 CD1 PHE A 75 2.729 -7.361 1.053 1.00 0.00 C ATOM 1126 CD2 PHE A 75 3.300 -6.124 2.975 1.00 0.00 C ATOM 1127 CE1 PHE A 75 3.747 -6.694 0.321 1.00 0.00 C ATOM 1128 CE2 PHE A 75 4.318 -5.457 2.243 1.00 0.00 C ATOM 1129 CZ PHE A 75 4.520 -5.756 0.931 1.00 0.00 C ATOM 0 H PHE A 75 0.174 -9.312 4.577 1.00 0.00 H new ATOM 0 HA PHE A 75 0.958 -9.395 1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.481 -7.272 2.981 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.648 -7.696 4.218 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.115 -8.106 0.568 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.140 -5.887 4.016 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.907 -6.932 -0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.932 -4.712 2.728 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.294 -5.249 0.374 1.00 0.00 H new ATOM 1139 N ARG A 76 3.208 -10.341 1.848 1.00 0.00 N ATOM 1140 CA ARG A 76 4.493 -11.020 1.867 1.00 0.00 C ATOM 1141 C ARG A 76 5.589 -10.097 1.330 1.00 0.00 C ATOM 1142 O ARG A 76 5.613 -9.782 0.142 1.00 0.00 O ATOM 1143 CB ARG A 76 4.453 -12.297 1.025 1.00 0.00 C ATOM 1144 CG ARG A 76 5.687 -13.163 1.285 1.00 0.00 C ATOM 1145 CD ARG A 76 5.468 -14.593 0.786 1.00 0.00 C ATOM 1146 NE ARG A 76 5.961 -15.561 1.791 1.00 0.00 N ATOM 1147 CZ ARG A 76 5.708 -16.876 1.755 1.00 0.00 C ATOM 1148 NH1 ARG A 76 4.965 -17.388 0.764 1.00 0.00 N ATOM 1149 NH2 ARG A 76 6.197 -17.679 2.710 1.00 0.00 N ATOM 0 H ARG A 76 2.819 -10.191 0.917 1.00 0.00 H new ATOM 0 HA ARG A 76 4.712 -11.287 2.901 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.551 -12.863 1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.402 -12.038 -0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.553 -12.728 0.785 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.908 -13.176 2.352 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.408 -14.762 0.595 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.989 -14.741 -0.160 1.00 0.00 H new ATOM 0 HE ARG A 76 6.529 -15.204 2.559 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.592 -16.776 0.038 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.772 -18.389 0.736 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.762 -17.289 3.464 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.004 -18.680 2.682 1.00 0.00 H new ATOM 1163 N SER A 77 6.469 -9.690 2.233 1.00 0.00 N ATOM 1164 CA SER A 77 7.565 -8.809 1.865 1.00 0.00 C ATOM 1165 C SER A 77 8.553 -9.552 0.963 1.00 0.00 C ATOM 1166 O SER A 77 8.311 -10.695 0.580 1.00 0.00 O ATOM 1167 CB SER A 77 8.280 -8.272 3.107 1.00 0.00 C ATOM 1168 OG SER A 77 8.911 -9.310 3.851 1.00 0.00 O ATOM 0 H SER A 77 6.446 -9.954 3.218 1.00 0.00 H new ATOM 0 HA SER A 77 7.154 -7.959 1.320 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.026 -7.537 2.806 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.562 -7.755 3.743 1.00 0.00 H new ATOM 0 HG SER A 77 8.241 -9.781 4.389 1.00 0.00 H new ATOM 1174 N HIS A 78 9.646 -8.871 0.650 1.00 0.00 N ATOM 1175 CA HIS A 78 10.672 -9.452 -0.199 1.00 0.00 C ATOM 1176 C HIS A 78 11.570 -10.369 0.634 1.00 0.00 C ATOM 1177 O HIS A 78 12.356 -11.139 0.085 1.00 0.00 O ATOM 1178 CB HIS A 78 11.454 -8.360 -0.931 1.00 0.00 C ATOM 1179 CG HIS A 78 12.585 -7.770 -0.123 1.00 0.00 C ATOM 1180 ND1 HIS A 78 12.721 -7.590 1.222 1.00 0.00 N flip ATOM 1181 CD2 HIS A 78 13.746 -7.285 -0.701 1.00 0.00 C flip ATOM 1182 CE1 HIS A 78 13.901 -7.028 1.454 1.00 0.00 C flip ATOM 1183 NE2 HIS A 78 14.538 -6.838 0.263 1.00 0.00 N flip ATOM 0 H HIS A 78 9.843 -7.923 0.969 1.00 0.00 H new ATOM 0 HA HIS A 78 10.206 -10.063 -0.972 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.858 -8.774 -1.855 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.767 -7.562 -1.213 1.00 0.00 H new ATOM 0 HD2 HIS A 78 13.968 -7.273 -1.758 1.00 0.00 H new ATOM 0 HE1 HIS A 78 14.292 -6.765 2.426 1.00 0.00 H new ATOM 0 HE2 HIS A 78 15.462 -6.424 0.136 1.00 0.00 H new ATOM 1191 N GLU A 79 11.423 -10.254 1.946 1.00 0.00 N ATOM 1192 CA GLU A 79 12.211 -11.063 2.860 1.00 0.00 C ATOM 1193 C GLU A 79 11.424 -12.305 3.284 1.00 0.00 C ATOM 1194 O GLU A 79 11.912 -13.114 4.071 1.00 0.00 O ATOM 1195 CB GLU A 79 12.646 -10.246 4.079 1.00 0.00 C ATOM 1196 CG GLU A 79 14.026 -9.624 3.858 1.00 0.00 C ATOM 1197 CD GLU A 79 15.136 -10.639 4.137 1.00 0.00 C ATOM 1198 OE1 GLU A 79 14.869 -11.843 3.931 1.00 0.00 O ATOM 1199 OE2 GLU A 79 16.227 -10.189 4.549 1.00 0.00 O ATOM 0 H GLU A 79 10.770 -9.613 2.397 1.00 0.00 H new ATOM 0 HA GLU A 79 13.113 -11.389 2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.916 -9.460 4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.669 -10.886 4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.107 -9.264 2.832 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.147 -8.759 4.510 1.00 0.00 H new ATOM 1206 N GLY A 80 10.220 -12.416 2.744 1.00 0.00 N ATOM 1207 CA GLY A 80 9.361 -13.545 3.056 1.00 0.00 C ATOM 1208 C GLY A 80 8.474 -13.241 4.265 1.00 0.00 C ATOM 1209 O GLY A 80 7.346 -13.725 4.350 1.00 0.00 O ATOM 0 H GLY A 80 9.819 -11.742 2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.738 -13.782 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.971 -14.425 3.260 1.00 0.00 H new ATOM 1213 N GLU A 81 9.016 -12.441 5.171 1.00 0.00 N ATOM 1214 CA GLU A 81 8.288 -12.067 6.371 1.00 0.00 C ATOM 1215 C GLU A 81 6.888 -11.569 6.009 1.00 0.00 C ATOM 1216 O GLU A 81 6.742 -10.546 5.341 1.00 0.00 O ATOM 1217 CB GLU A 81 9.056 -11.012 7.171 1.00 0.00 C ATOM 1218 CG GLU A 81 10.074 -11.667 8.107 1.00 0.00 C ATOM 1219 CD GLU A 81 11.455 -11.028 7.947 1.00 0.00 C ATOM 1220 OE1 GLU A 81 11.551 -9.810 8.211 1.00 0.00 O ATOM 1221 OE2 GLU A 81 12.384 -11.772 7.564 1.00 0.00 O ATOM 0 H GLU A 81 9.952 -12.041 5.098 1.00 0.00 H new ATOM 0 HA GLU A 81 8.186 -12.951 7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.568 -10.334 6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.357 -10.411 7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.741 -11.567 9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.136 -12.734 7.894 1.00 0.00 H new ATOM 1228 N THR A 82 5.893 -12.315 6.466 1.00 0.00 N ATOM 1229 CA THR A 82 4.509 -11.962 6.198 1.00 0.00 C ATOM 1230 C THR A 82 3.896 -11.252 7.408 1.00 0.00 C ATOM 1231 O THR A 82 4.319 -11.474 8.542 1.00 0.00 O ATOM 1232 CB THR A 82 3.764 -13.237 5.800 1.00 0.00 C ATOM 1233 OG1 THR A 82 4.132 -14.181 6.803 1.00 0.00 O ATOM 1234 CG2 THR A 82 4.297 -13.846 4.502 1.00 0.00 C ATOM 0 H THR A 82 6.018 -13.162 7.020 1.00 0.00 H new ATOM 0 HA THR A 82 4.434 -11.254 5.373 1.00 0.00 H new ATOM 0 HB THR A 82 2.702 -13.017 5.688 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.691 -15.038 6.623 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.734 -14.749 4.265 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.187 -13.126 3.691 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.351 -14.098 4.624 1.00 0.00 H new ATOM 1242 N SER A 83 2.910 -10.414 7.125 1.00 0.00 N ATOM 1243 CA SER A 83 2.235 -9.671 8.175 1.00 0.00 C ATOM 1244 C SER A 83 0.821 -9.297 7.726 1.00 0.00 C ATOM 1245 O SER A 83 0.512 -9.341 6.536 1.00 0.00 O ATOM 1246 CB SER A 83 3.021 -8.414 8.553 1.00 0.00 C ATOM 1247 OG SER A 83 4.079 -8.700 9.464 1.00 0.00 O ATOM 0 H SER A 83 2.562 -10.233 6.183 1.00 0.00 H new ATOM 0 HA SER A 83 2.173 -10.307 9.058 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.432 -7.958 7.652 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.345 -7.684 8.999 1.00 0.00 H new ATOM 0 HG SER A 83 4.287 -9.657 9.434 1.00 0.00 H new ATOM 1253 N TYR A 84 0.000 -8.938 8.701 1.00 0.00 N ATOM 1254 CA TYR A 84 -1.374 -8.557 8.421 1.00 0.00 C ATOM 1255 C TYR A 84 -1.510 -7.037 8.312 1.00 0.00 C ATOM 1256 O TYR A 84 -1.389 -6.326 9.308 1.00 0.00 O ATOM 1257 CB TYR A 84 -2.199 -9.047 9.613 1.00 0.00 C ATOM 1258 CG TYR A 84 -2.639 -10.508 9.507 1.00 0.00 C ATOM 1259 CD1 TYR A 84 -3.135 -10.995 8.314 1.00 0.00 C ATOM 1260 CD2 TYR A 84 -2.540 -11.340 10.603 1.00 0.00 C ATOM 1261 CE1 TYR A 84 -3.550 -12.370 8.214 1.00 0.00 C ATOM 1262 CE2 TYR A 84 -2.954 -12.716 10.503 1.00 0.00 C ATOM 1263 CZ TYR A 84 -3.439 -13.163 9.314 1.00 0.00 C ATOM 1264 OH TYR A 84 -3.830 -14.462 9.219 1.00 0.00 O ATOM 0 H TYR A 84 0.260 -8.903 9.687 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.707 -8.988 7.477 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.614 -8.920 10.524 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.084 -8.418 9.712 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.212 -10.344 7.456 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -2.152 -10.959 11.536 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.941 -12.763 7.287 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.881 -13.378 11.353 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.693 -14.909 10.080 1.00 0.00 H new ATOM 1274 N ILE A 85 -1.761 -6.583 7.093 1.00 0.00 N ATOM 1275 CA ILE A 85 -1.915 -5.161 6.840 1.00 0.00 C ATOM 1276 C ILE A 85 -3.383 -4.857 6.538 1.00 0.00 C ATOM 1277 O ILE A 85 -3.998 -5.517 5.702 1.00 0.00 O ATOM 1278 CB ILE A 85 -0.953 -4.704 5.741 1.00 0.00 C ATOM 1279 CG1 ILE A 85 -1.221 -5.452 4.433 1.00 0.00 C ATOM 1280 CG2 ILE A 85 0.502 -4.844 6.193 1.00 0.00 C ATOM 1281 CD1 ILE A 85 -0.867 -4.585 3.223 1.00 0.00 C ATOM 0 H ILE A 85 -1.862 -7.176 6.269 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.646 -4.586 7.726 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.130 -3.646 5.550 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.636 -6.372 4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.271 -5.740 4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.165 -4.513 5.394 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.668 -4.232 7.079 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.711 -5.888 6.428 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.067 -5.140 2.307 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.471 -3.678 3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.189 -4.319 3.263 1.00 0.00 H new ATOM 1293 N ARG A 86 -3.903 -3.857 7.235 1.00 0.00 N ATOM 1294 CA ARG A 86 -5.288 -3.457 7.052 1.00 0.00 C ATOM 1295 C ARG A 86 -5.389 -2.370 5.980 1.00 0.00 C ATOM 1296 O ARG A 86 -4.463 -1.580 5.803 1.00 0.00 O ATOM 1297 CB ARG A 86 -5.888 -2.934 8.358 1.00 0.00 C ATOM 1298 CG ARG A 86 -6.668 -4.033 9.082 1.00 0.00 C ATOM 1299 CD ARG A 86 -8.174 -3.774 9.010 1.00 0.00 C ATOM 1300 NE ARG A 86 -8.726 -3.615 10.374 1.00 0.00 N ATOM 1301 CZ ARG A 86 -9.005 -4.636 11.196 1.00 0.00 C ATOM 1302 NH1 ARG A 86 -8.784 -5.896 10.797 1.00 0.00 N ATOM 1303 NH2 ARG A 86 -9.503 -4.397 12.416 1.00 0.00 N ATOM 0 H ARG A 86 -3.390 -3.312 7.928 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.848 -4.337 6.736 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.093 -2.562 9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.548 -2.093 8.148 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.440 -5.001 8.635 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.353 -4.081 10.124 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.369 -2.877 8.423 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.670 -4.601 8.502 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.905 -2.669 10.710 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.404 -6.078 9.868 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.996 -6.674 11.422 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.670 -3.438 12.720 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.715 -5.174 13.041 1.00 0.00 H new ATOM 1317 N VAL A 87 -6.523 -2.363 5.294 1.00 0.00 N ATOM 1318 CA VAL A 87 -6.757 -1.385 4.245 1.00 0.00 C ATOM 1319 C VAL A 87 -7.942 -0.500 4.635 1.00 0.00 C ATOM 1320 O VAL A 87 -9.056 -0.992 4.815 1.00 0.00 O ATOM 1321 CB VAL A 87 -6.955 -2.094 2.904 1.00 0.00 C ATOM 1322 CG1 VAL A 87 -6.648 -1.154 1.736 1.00 0.00 C ATOM 1323 CG2 VAL A 87 -6.105 -3.364 2.824 1.00 0.00 C ATOM 0 H VAL A 87 -7.289 -3.019 5.444 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.890 -0.734 4.128 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.002 -2.387 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.797 -1.683 0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.315 -0.293 1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.614 -0.816 1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.265 -3.849 1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.052 -3.104 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.392 -4.045 3.625 1.00 0.00 H new ATOM 1333 N TYR A 88 -7.663 0.790 4.753 1.00 0.00 N ATOM 1334 CA TYR A 88 -8.693 1.748 5.117 1.00 0.00 C ATOM 1335 C TYR A 88 -8.451 3.098 4.439 1.00 0.00 C ATOM 1336 O TYR A 88 -7.329 3.402 4.036 1.00 0.00 O ATOM 1337 CB TYR A 88 -8.586 1.926 6.633 1.00 0.00 C ATOM 1338 CG TYR A 88 -7.198 2.356 7.113 1.00 0.00 C ATOM 1339 CD1 TYR A 88 -6.183 1.426 7.209 1.00 0.00 C ATOM 1340 CD2 TYR A 88 -6.961 3.673 7.448 1.00 0.00 C ATOM 1341 CE1 TYR A 88 -4.876 1.831 7.661 1.00 0.00 C ATOM 1342 CE2 TYR A 88 -5.655 4.078 7.899 1.00 0.00 C ATOM 1343 CZ TYR A 88 -4.677 3.137 7.983 1.00 0.00 C ATOM 1344 OH TYR A 88 -3.444 3.519 8.410 1.00 0.00 O ATOM 0 H TYR A 88 -6.739 1.194 4.603 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.675 1.392 4.806 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.316 2.669 6.954 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.852 0.987 7.118 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.368 0.395 6.946 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.755 4.401 7.372 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.073 1.114 7.742 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.457 5.106 8.165 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.448 4.480 8.603 1.00 0.00 H new ATOM 1354 N PRO A 89 -9.550 3.892 4.331 1.00 0.00 N ATOM 1355 CA PRO A 89 -9.467 5.202 3.708 1.00 0.00 C ATOM 1356 C PRO A 89 -8.788 6.209 4.638 1.00 0.00 C ATOM 1357 O PRO A 89 -8.293 5.841 5.702 1.00 0.00 O ATOM 1358 CB PRO A 89 -10.905 5.572 3.380 1.00 0.00 C ATOM 1359 CG PRO A 89 -11.774 4.673 4.244 1.00 0.00 C ATOM 1360 CD PRO A 89 -10.894 3.565 4.797 1.00 0.00 C ATOM 0 HA PRO A 89 -8.854 5.202 2.807 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.096 6.623 3.594 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.116 5.419 2.322 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.224 5.244 5.056 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.591 4.254 3.657 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -10.938 3.530 5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.212 2.588 4.434 1.00 0.00 H new ATOM 1368 N GLU A 90 -8.787 7.461 4.203 1.00 0.00 N ATOM 1369 CA GLU A 90 -8.177 8.524 4.983 1.00 0.00 C ATOM 1370 C GLU A 90 -9.238 9.533 5.427 1.00 0.00 C ATOM 1371 O GLU A 90 -9.115 10.727 5.160 1.00 0.00 O ATOM 1372 CB GLU A 90 -7.062 9.213 4.194 1.00 0.00 C ATOM 1373 CG GLU A 90 -7.555 9.645 2.811 1.00 0.00 C ATOM 1374 CD GLU A 90 -7.177 11.099 2.524 1.00 0.00 C ATOM 1375 OE1 GLU A 90 -7.399 11.933 3.430 1.00 0.00 O ATOM 1376 OE2 GLU A 90 -6.675 11.345 1.406 1.00 0.00 O ATOM 0 H GLU A 90 -9.199 7.763 3.320 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.728 8.083 5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.706 10.083 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.215 8.535 4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.124 8.996 2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.637 9.529 2.754 1.00 0.00 H new ATOM 1383 N ARG A 91 -10.256 9.015 6.099 1.00 0.00 N ATOM 1384 CA ARG A 91 -11.338 9.856 6.582 1.00 0.00 C ATOM 1385 C ARG A 91 -11.821 10.791 5.472 1.00 0.00 C ATOM 1386 O ARG A 91 -11.277 11.879 5.291 1.00 0.00 O ATOM 1387 CB ARG A 91 -10.892 10.691 7.784 1.00 0.00 C ATOM 1388 CG ARG A 91 -12.002 11.643 8.233 1.00 0.00 C ATOM 1389 CD ARG A 91 -11.472 13.070 8.385 1.00 0.00 C ATOM 1390 NE ARG A 91 -10.967 13.279 9.760 1.00 0.00 N ATOM 1391 CZ ARG A 91 -11.740 13.266 10.854 1.00 0.00 C ATOM 1392 NH1 ARG A 91 -13.059 13.054 10.741 1.00 0.00 N ATOM 1393 NH2 ARG A 91 -11.195 13.465 12.062 1.00 0.00 N ATOM 0 H ARG A 91 -10.354 8.024 6.320 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.153 9.202 6.890 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.618 10.032 8.608 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.001 11.263 7.524 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -12.814 11.628 7.506 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.417 11.302 9.182 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.674 13.249 7.665 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.264 13.786 8.167 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.968 13.443 9.883 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.474 12.903 9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.647 13.044 11.574 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.192 13.626 12.148 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.784 13.455 12.895 1.00 0.00 H new ATOM 1407 N SER A 92 -12.838 10.332 4.756 1.00 0.00 N ATOM 1408 CA SER A 92 -13.400 11.113 3.668 1.00 0.00 C ATOM 1409 C SER A 92 -14.916 10.913 3.609 1.00 0.00 C ATOM 1410 O SER A 92 -15.421 9.857 3.986 1.00 0.00 O ATOM 1411 CB SER A 92 -12.762 10.734 2.330 1.00 0.00 C ATOM 1412 OG SER A 92 -13.272 9.504 1.825 1.00 0.00 O ATOM 0 H SER A 92 -13.287 9.429 4.909 1.00 0.00 H new ATOM 0 HA SER A 92 -13.186 12.165 3.856 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.943 11.527 1.604 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.682 10.655 2.453 1.00 0.00 H new ATOM 0 HG SER A 92 -12.841 9.298 0.969 1.00 0.00 H new ATOM 1418 N SER A 93 -15.599 11.943 3.131 1.00 0.00 N ATOM 1419 CA SER A 93 -17.046 11.893 3.018 1.00 0.00 C ATOM 1420 C SER A 93 -17.538 13.009 2.094 1.00 0.00 C ATOM 1421 O SER A 93 -16.837 13.998 1.883 1.00 0.00 O ATOM 1422 CB SER A 93 -17.711 12.009 4.391 1.00 0.00 C ATOM 1423 OG SER A 93 -17.315 10.957 5.266 1.00 0.00 O ATOM 0 H SER A 93 -15.177 12.817 2.818 1.00 0.00 H new ATOM 0 HA SER A 93 -17.322 10.929 2.591 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.454 12.969 4.839 1.00 0.00 H new ATOM 0 HB3 SER A 93 -18.794 11.993 4.272 1.00 0.00 H new ATOM 0 HG SER A 93 -16.864 10.256 4.751 1.00 0.00 H new ATOM 1429 N GLY A 94 -18.738 12.814 1.568 1.00 0.00 N ATOM 1430 CA GLY A 94 -19.331 13.792 0.673 1.00 0.00 C ATOM 1431 C GLY A 94 -19.135 13.386 -0.790 1.00 0.00 C ATOM 1432 O GLY A 94 -18.202 12.654 -1.115 1.00 0.00 O ATOM 0 H GLY A 94 -19.316 11.992 1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.395 13.889 0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -18.881 14.769 0.846 1.00 0.00 H new ATOM 1436 N PRO A 95 -20.054 13.893 -1.655 1.00 0.00 N ATOM 1437 CA PRO A 95 -19.991 13.591 -3.075 1.00 0.00 C ATOM 1438 C PRO A 95 -18.867 14.377 -3.753 1.00 0.00 C ATOM 1439 O PRO A 95 -18.629 15.538 -3.422 1.00 0.00 O ATOM 1440 CB PRO A 95 -21.369 13.940 -3.613 1.00 0.00 C ATOM 1441 CG PRO A 95 -22.001 14.856 -2.577 1.00 0.00 C ATOM 1442 CD PRO A 95 -21.173 14.764 -1.306 1.00 0.00 C ATOM 0 HA PRO A 95 -19.754 12.546 -3.273 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -21.296 14.436 -4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -21.970 13.043 -3.759 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -22.028 15.883 -2.941 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -23.032 14.559 -2.383 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -20.826 15.747 -0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -21.755 14.350 -0.483 1.00 0.00 H new ATOM 1450 N SER A 96 -18.206 13.714 -4.690 1.00 0.00 N ATOM 1451 CA SER A 96 -17.114 14.336 -5.419 1.00 0.00 C ATOM 1452 C SER A 96 -17.522 14.572 -6.874 1.00 0.00 C ATOM 1453 O SER A 96 -18.078 13.684 -7.518 1.00 0.00 O ATOM 1454 CB SER A 96 -15.849 13.476 -5.355 1.00 0.00 C ATOM 1455 OG SER A 96 -16.079 12.153 -5.831 1.00 0.00 O ATOM 0 H SER A 96 -18.406 12.751 -4.961 1.00 0.00 H new ATOM 0 HA SER A 96 -16.893 15.295 -4.951 1.00 0.00 H new ATOM 0 HB2 SER A 96 -15.063 13.943 -5.948 1.00 0.00 H new ATOM 0 HB3 SER A 96 -15.491 13.434 -4.326 1.00 0.00 H new ATOM 0 HG SER A 96 -15.378 11.557 -5.493 1.00 0.00 H new ATOM 1461 N SER A 97 -17.230 15.774 -7.349 1.00 0.00 N ATOM 1462 CA SER A 97 -17.559 16.138 -8.717 1.00 0.00 C ATOM 1463 C SER A 97 -16.947 17.497 -9.059 1.00 0.00 C ATOM 1464 O SER A 97 -17.510 18.538 -8.724 1.00 0.00 O ATOM 1465 CB SER A 97 -19.074 16.170 -8.928 1.00 0.00 C ATOM 1466 OG SER A 97 -19.479 15.350 -10.021 1.00 0.00 O ATOM 0 H SER A 97 -16.769 16.508 -6.811 1.00 0.00 H new ATOM 0 HA SER A 97 -17.142 15.382 -9.382 1.00 0.00 H new ATOM 0 HB2 SER A 97 -19.574 15.835 -8.019 1.00 0.00 H new ATOM 0 HB3 SER A 97 -19.393 17.197 -9.107 1.00 0.00 H new ATOM 0 HG SER A 97 -20.453 15.396 -10.122 1.00 0.00 H new ATOM 1472 N GLY A 98 -15.800 17.444 -9.721 1.00 0.00 N ATOM 1473 CA GLY A 98 -15.105 18.659 -10.112 1.00 0.00 C ATOM 1474 C GLY A 98 -15.970 19.510 -11.044 1.00 0.00 C ATOM 1475 O GLY A 98 -15.448 20.278 -11.851 1.00 0.00 O ATOM 0 H GLY A 98 -15.335 16.579 -9.996 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -14.845 19.235 -9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -14.170 18.403 -10.611 1.00 0.00 H new TER 1479 GLY A 98