USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 554 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 16 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 19 LYS NZ :NH3+ -140:sc= -0.354 (180deg=-2.07!) USER MOD Single : A 1 GLY N :NH3+ -148:sc= 0.0259 (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 42:sc= 0.0296 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 178:sc= 0.285 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= -0.0501 (180deg=-0.37) USER MOD Single : A 47 LYS NZ :NH3+ -152:sc= 1.29 (180deg=0.317) USER MOD Single : A 48 ASN : amide:sc= 0.8 K(o=0.8,f=-0.0026) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -165:sc= 0 (180deg=-0.0829) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.846 F(o=-1.4,f=-0.85) USER MOD Single : A 61 THR OG1 : rot 169:sc= -3.06! USER MOD Single : A 67 ASN : amide:sc= -0.0649 K(o=-0.065,f=-0.92) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.409 -22.751 -4.930 1.00 0.00 N ATOM 2 CA GLY A 1 -1.835 -22.314 -3.614 1.00 0.00 C ATOM 3 C GLY A 1 -1.290 -23.192 -2.505 1.00 0.00 C ATOM 4 O GLY A 1 -0.219 -23.782 -2.643 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.312 -21.926 -5.555 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.493 -23.237 -4.855 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.116 -23.404 -5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.509 -21.287 -3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.924 -22.313 -3.570 1.00 0.00 H new ATOM 8 N SER A 2 -2.027 -23.277 -1.403 1.00 0.00 N ATOM 9 CA SER A 2 -1.609 -24.086 -0.264 1.00 0.00 C ATOM 10 C SER A 2 -0.315 -23.546 0.338 1.00 0.00 C ATOM 11 O SER A 2 0.588 -24.308 0.680 1.00 0.00 O ATOM 12 CB SER A 2 -1.419 -25.542 -0.688 1.00 0.00 C ATOM 13 OG SER A 2 -2.626 -26.273 -0.560 1.00 0.00 O ATOM 0 H SER A 2 -2.917 -22.796 -1.274 1.00 0.00 H new ATOM 0 HA SER A 2 -2.391 -24.036 0.493 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.075 -25.581 -1.721 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.644 -26.004 -0.076 1.00 0.00 H new ATOM 0 HG SER A 2 -2.478 -27.201 -0.839 1.00 0.00 H new ATOM 19 N SER A 3 -0.233 -22.225 0.466 1.00 0.00 N ATOM 20 CA SER A 3 0.950 -21.582 1.022 1.00 0.00 C ATOM 21 C SER A 3 1.312 -22.188 2.375 1.00 0.00 C ATOM 22 O SER A 3 0.488 -22.229 3.288 1.00 0.00 O ATOM 23 CB SER A 3 0.717 -20.077 1.171 1.00 0.00 C ATOM 24 OG SER A 3 1.928 -19.399 1.459 1.00 0.00 O ATOM 0 H SER A 3 -0.973 -21.579 0.191 1.00 0.00 H new ATOM 0 HA SER A 3 1.780 -21.747 0.335 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.284 -19.680 0.253 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.004 -19.895 1.968 1.00 0.00 H new ATOM 0 HG SER A 3 1.752 -18.439 1.548 1.00 0.00 H new ATOM 30 N GLY A 4 2.550 -22.656 2.494 1.00 0.00 N ATOM 31 CA GLY A 4 3.000 -23.254 3.738 1.00 0.00 C ATOM 32 C GLY A 4 2.777 -22.347 4.932 1.00 0.00 C ATOM 33 O GLY A 4 1.663 -22.251 5.448 1.00 0.00 O ATOM 0 H GLY A 4 3.249 -22.632 1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.473 -24.195 3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.061 -23.492 3.660 1.00 0.00 H new ATOM 37 N SER A 5 3.837 -21.679 5.373 1.00 0.00 N ATOM 38 CA SER A 5 3.755 -20.779 6.516 1.00 0.00 C ATOM 39 C SER A 5 3.341 -19.378 6.076 1.00 0.00 C ATOM 40 O SER A 5 4.112 -18.665 5.435 1.00 0.00 O ATOM 41 CB SER A 5 5.098 -20.721 7.247 1.00 0.00 C ATOM 42 OG SER A 5 5.530 -22.018 7.624 1.00 0.00 O ATOM 0 H SER A 5 4.765 -21.744 4.955 1.00 0.00 H new ATOM 0 HA SER A 5 2.997 -21.166 7.197 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.846 -20.258 6.604 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.007 -20.093 8.133 1.00 0.00 H new ATOM 0 HG SER A 5 6.391 -21.954 8.088 1.00 0.00 H new ATOM 48 N SER A 6 2.118 -18.992 6.425 1.00 0.00 N ATOM 49 CA SER A 6 1.600 -17.678 6.064 1.00 0.00 C ATOM 50 C SER A 6 0.872 -17.038 7.241 1.00 0.00 C ATOM 51 O SER A 6 -0.025 -17.638 7.832 1.00 0.00 O ATOM 52 CB SER A 6 0.654 -17.792 4.865 1.00 0.00 C ATOM 53 OG SER A 6 -0.277 -18.842 5.050 1.00 0.00 O ATOM 0 H SER A 6 1.468 -19.570 6.957 1.00 0.00 H new ATOM 0 HA SER A 6 2.444 -17.044 5.794 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.123 -16.851 4.726 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.231 -17.969 3.958 1.00 0.00 H new ATOM 0 HG SER A 6 -0.603 -18.831 5.974 1.00 0.00 H new ATOM 59 N GLY A 7 1.265 -15.813 7.578 1.00 0.00 N ATOM 60 CA GLY A 7 0.640 -15.111 8.683 1.00 0.00 C ATOM 61 C GLY A 7 0.127 -13.741 8.285 1.00 0.00 C ATOM 62 O GLY A 7 0.863 -12.756 8.335 1.00 0.00 O ATOM 0 H GLY A 7 2.005 -15.295 7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.187 -15.708 9.067 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.359 -15.004 9.495 1.00 0.00 H new ATOM 66 N ASP A 8 -1.139 -13.678 7.886 1.00 0.00 N ATOM 67 CA ASP A 8 -1.750 -12.419 7.476 1.00 0.00 C ATOM 68 C ASP A 8 -2.987 -12.118 8.315 1.00 0.00 C ATOM 69 O ASP A 8 -3.742 -13.012 8.697 1.00 0.00 O ATOM 70 CB ASP A 8 -2.123 -12.468 5.994 1.00 0.00 C ATOM 71 CG ASP A 8 -1.110 -13.234 5.166 1.00 0.00 C ATOM 72 OD1 ASP A 8 0.082 -12.864 5.196 1.00 0.00 O ATOM 73 OD2 ASP A 8 -1.510 -14.203 4.489 1.00 0.00 O ATOM 0 H ASP A 8 -1.762 -14.484 7.838 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.023 -11.622 7.633 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.103 -12.932 5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.207 -11.451 5.610 1.00 0.00 H new ATOM 78 N PRO A 9 -3.201 -10.827 8.611 1.00 0.00 N ATOM 79 CA PRO A 9 -4.346 -10.376 9.410 1.00 0.00 C ATOM 80 C PRO A 9 -5.667 -10.526 8.664 1.00 0.00 C ATOM 81 O PRO A 9 -5.704 -10.693 7.443 1.00 0.00 O ATOM 82 CB PRO A 9 -4.040 -8.898 9.665 1.00 0.00 C ATOM 83 CG PRO A 9 -3.160 -8.492 8.535 1.00 0.00 C ATOM 84 CD PRO A 9 -2.343 -9.708 8.189 1.00 0.00 C ATOM 0 HA PRO A 9 -4.465 -10.964 10.320 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.953 -8.303 9.689 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.542 -8.757 10.624 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.750 -8.162 7.680 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.518 -7.659 8.820 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.120 -9.752 7.123 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.388 -9.713 8.715 1.00 0.00 H new ATOM 92 N PRO A 10 -6.780 -10.465 9.410 1.00 0.00 N ATOM 93 CA PRO A 10 -8.125 -10.590 8.838 1.00 0.00 C ATOM 94 C PRO A 10 -8.508 -9.382 7.990 1.00 0.00 C ATOM 95 O PRO A 10 -9.544 -9.383 7.325 1.00 0.00 O ATOM 96 CB PRO A 10 -9.026 -10.685 10.072 1.00 0.00 C ATOM 97 CG PRO A 10 -8.263 -9.999 11.153 1.00 0.00 C ATOM 98 CD PRO A 10 -6.811 -10.266 10.868 1.00 0.00 C ATOM 0 HA PRO A 10 -8.206 -11.445 8.167 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.987 -10.202 9.898 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.233 -11.723 10.332 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.469 -8.929 11.158 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.545 -10.382 12.134 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.181 -9.430 11.173 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.452 -11.146 11.401 1.00 0.00 H new ATOM 106 N TRP A 11 -7.668 -8.353 8.019 1.00 0.00 N ATOM 107 CA TRP A 11 -7.921 -7.139 7.251 1.00 0.00 C ATOM 108 C TRP A 11 -7.096 -7.125 5.970 1.00 0.00 C ATOM 109 O TRP A 11 -7.519 -6.570 4.955 1.00 0.00 O ATOM 110 CB TRP A 11 -7.602 -5.904 8.094 1.00 0.00 C ATOM 111 CG TRP A 11 -6.132 -5.673 8.276 1.00 0.00 C ATOM 112 CD1 TRP A 11 -5.392 -5.940 9.392 1.00 0.00 C ATOM 113 CD2 TRP A 11 -5.224 -5.126 7.312 1.00 0.00 C ATOM 114 NE1 TRP A 11 -4.079 -5.593 9.181 1.00 0.00 N ATOM 115 CE2 TRP A 11 -3.951 -5.092 7.914 1.00 0.00 C ATOM 116 CE3 TRP A 11 -5.363 -4.663 6.001 1.00 0.00 C ATOM 117 CZ2 TRP A 11 -2.827 -4.613 7.246 1.00 0.00 C ATOM 118 CZ3 TRP A 11 -4.246 -4.188 5.342 1.00 0.00 C ATOM 119 CH2 TRP A 11 -2.991 -4.166 5.964 1.00 0.00 C ATOM 0 H TRP A 11 -6.807 -8.335 8.565 1.00 0.00 H new ATOM 0 HA TRP A 11 -8.977 -7.121 6.980 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.045 -5.027 7.622 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.070 -6.010 9.073 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -5.781 -6.362 10.307 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -3.323 -5.693 9.858 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -6.326 -4.676 5.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -1.859 -4.595 7.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.342 -3.827 4.329 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.137 -3.789 5.421 1.00 0.00 H new ATOM 130 N ALA A 12 -5.918 -7.737 6.022 1.00 0.00 N ATOM 131 CA ALA A 12 -5.035 -7.795 4.864 1.00 0.00 C ATOM 132 C ALA A 12 -5.573 -8.757 3.811 1.00 0.00 C ATOM 133 O ALA A 12 -6.235 -9.748 4.120 1.00 0.00 O ATOM 134 CB ALA A 12 -3.633 -8.206 5.290 1.00 0.00 C ATOM 0 H ALA A 12 -5.553 -8.200 6.854 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.992 -6.800 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.984 -8.245 4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.241 -7.478 6.001 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.669 -9.189 5.760 1.00 0.00 H new ATOM 140 N PRO A 13 -5.286 -8.459 2.535 1.00 0.00 N ATOM 141 CA PRO A 13 -5.732 -9.287 1.409 1.00 0.00 C ATOM 142 C PRO A 13 -5.019 -10.632 1.359 1.00 0.00 C ATOM 143 O PRO A 13 -4.028 -10.847 2.060 1.00 0.00 O ATOM 144 CB PRO A 13 -5.371 -8.443 0.184 1.00 0.00 C ATOM 145 CG PRO A 13 -4.246 -7.578 0.638 1.00 0.00 C ATOM 146 CD PRO A 13 -4.503 -7.293 2.092 1.00 0.00 C ATOM 0 HA PRO A 13 -6.792 -9.532 1.478 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.073 -9.071 -0.656 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.220 -7.846 -0.149 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.288 -8.080 0.502 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.206 -6.654 0.060 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.573 -7.197 2.653 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.055 -6.363 2.228 1.00 0.00 H new ATOM 154 N ARG A 14 -5.526 -11.536 0.528 1.00 0.00 N ATOM 155 CA ARG A 14 -4.935 -12.862 0.387 1.00 0.00 C ATOM 156 C ARG A 14 -3.773 -12.838 -0.601 1.00 0.00 C ATOM 157 O ARG A 14 -2.687 -13.336 -0.310 1.00 0.00 O ATOM 158 CB ARG A 14 -5.991 -13.868 -0.075 1.00 0.00 C ATOM 159 CG ARG A 14 -6.792 -14.478 1.064 1.00 0.00 C ATOM 160 CD ARG A 14 -7.458 -15.777 0.643 1.00 0.00 C ATOM 161 NE ARG A 14 -6.589 -16.932 0.856 1.00 0.00 N ATOM 162 CZ ARG A 14 -6.980 -18.189 0.672 1.00 0.00 C ATOM 163 NH1 ARG A 14 -8.217 -18.450 0.273 1.00 0.00 N ATOM 164 NH2 ARG A 14 -6.132 -19.187 0.887 1.00 0.00 N ATOM 0 H ARG A 14 -6.345 -11.375 -0.058 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.554 -13.167 1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.675 -13.373 -0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.501 -14.667 -0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.135 -14.663 1.914 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.551 -13.770 1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.382 -15.910 1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.732 -15.719 -0.410 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.631 -16.765 1.162 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.871 -17.685 0.106 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.515 -19.415 0.133 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.179 -18.990 1.194 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.433 -20.151 0.746 1.00 0.00 H new ATOM 178 N SER A 15 -4.012 -12.256 -1.773 1.00 0.00 N ATOM 179 CA SER A 15 -2.986 -12.170 -2.806 1.00 0.00 C ATOM 180 C SER A 15 -2.842 -10.739 -3.310 1.00 0.00 C ATOM 181 O SER A 15 -3.828 -10.018 -3.460 1.00 0.00 O ATOM 182 CB SER A 15 -3.329 -13.101 -3.971 1.00 0.00 C ATOM 183 OG SER A 15 -2.440 -12.904 -5.057 1.00 0.00 O ATOM 0 H SER A 15 -4.906 -11.838 -2.030 1.00 0.00 H new ATOM 0 HA SER A 15 -2.037 -12.479 -2.369 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.279 -14.138 -3.639 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.353 -12.919 -4.297 1.00 0.00 H new ATOM 0 HG SER A 15 -2.678 -13.511 -5.789 1.00 0.00 H new ATOM 189 N TYR A 16 -1.603 -10.331 -3.570 1.00 0.00 N ATOM 190 CA TYR A 16 -1.327 -8.985 -4.055 1.00 0.00 C ATOM 191 C TYR A 16 -0.074 -8.965 -4.925 1.00 0.00 C ATOM 192 O TYR A 16 0.757 -9.872 -4.858 1.00 0.00 O ATOM 193 CB TYR A 16 -1.159 -8.021 -2.879 1.00 0.00 C ATOM 194 CG TYR A 16 -0.172 -8.500 -1.839 1.00 0.00 C ATOM 195 CD1 TYR A 16 1.184 -8.216 -1.956 1.00 0.00 C ATOM 196 CD2 TYR A 16 -0.594 -9.237 -0.739 1.00 0.00 C ATOM 197 CE1 TYR A 16 2.089 -8.653 -1.009 1.00 0.00 C ATOM 198 CE2 TYR A 16 0.305 -9.677 0.214 1.00 0.00 C ATOM 199 CZ TYR A 16 1.645 -9.382 0.075 1.00 0.00 C ATOM 200 OH TYR A 16 2.545 -9.818 1.021 1.00 0.00 O ATOM 0 H TYR A 16 -0.775 -10.915 -3.452 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.174 -8.665 -4.662 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.833 -7.052 -3.258 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.128 -7.868 -2.404 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.535 -7.644 -2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.643 -9.470 -0.627 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.139 -8.425 -1.116 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.040 -10.249 1.063 1.00 0.00 H new ATOM 0 HH TYR A 16 2.070 -10.316 1.719 1.00 0.00 H new ATOM 210 N LEU A 17 0.054 -7.926 -5.742 1.00 0.00 N ATOM 211 CA LEU A 17 1.206 -7.786 -6.628 1.00 0.00 C ATOM 212 C LEU A 17 2.504 -7.732 -5.828 1.00 0.00 C ATOM 213 O LEU A 17 3.367 -8.595 -5.970 1.00 0.00 O ATOM 214 CB LEU A 17 1.067 -6.526 -7.482 1.00 0.00 C ATOM 215 CG LEU A 17 -0.123 -6.493 -8.442 1.00 0.00 C ATOM 216 CD1 LEU A 17 -0.348 -5.084 -8.966 1.00 0.00 C ATOM 217 CD2 LEU A 17 0.096 -7.464 -9.594 1.00 0.00 C ATOM 0 H LEU A 17 -0.625 -7.168 -5.810 1.00 0.00 H new ATOM 0 HA LEU A 17 1.239 -8.658 -7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.995 -5.666 -6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.981 -6.403 -8.063 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.015 -6.801 -7.896 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.199 -5.081 -9.647 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.549 -4.413 -8.131 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.543 -4.746 -9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.760 -7.428 -10.268 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.998 -7.185 -10.138 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.207 -8.475 -9.202 1.00 0.00 H new ATOM 229 N GLU A 18 2.631 -6.710 -4.985 1.00 0.00 N ATOM 230 CA GLU A 18 3.823 -6.545 -4.163 1.00 0.00 C ATOM 231 C GLU A 18 3.486 -5.842 -2.851 1.00 0.00 C ATOM 232 O GLU A 18 2.350 -5.419 -2.633 1.00 0.00 O ATOM 233 CB GLU A 18 4.887 -5.748 -4.920 1.00 0.00 C ATOM 234 CG GLU A 18 4.569 -4.267 -5.042 1.00 0.00 C ATOM 235 CD GLU A 18 5.814 -3.406 -5.106 1.00 0.00 C ATOM 236 OE1 GLU A 18 6.920 -3.941 -4.876 1.00 0.00 O ATOM 237 OE2 GLU A 18 5.684 -2.195 -5.385 1.00 0.00 O ATOM 0 H GLU A 18 1.924 -5.986 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 18 4.215 -7.536 -3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.845 -5.864 -4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.002 -6.169 -5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.970 -4.100 -5.938 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.962 -3.958 -4.191 1.00 0.00 H new ATOM 244 N LYS A 19 4.481 -5.721 -1.977 1.00 0.00 N ATOM 245 CA LYS A 19 4.290 -5.070 -0.686 1.00 0.00 C ATOM 246 C LYS A 19 5.228 -3.876 -0.538 1.00 0.00 C ATOM 247 O LYS A 19 6.390 -3.931 -0.943 1.00 0.00 O ATOM 248 CB LYS A 19 4.531 -6.066 0.450 1.00 0.00 C ATOM 249 CG LYS A 19 4.394 -5.454 1.833 1.00 0.00 C ATOM 250 CD LYS A 19 4.053 -6.504 2.877 1.00 0.00 C ATOM 251 CE LYS A 19 5.282 -7.306 3.282 1.00 0.00 C ATOM 252 NZ LYS A 19 5.663 -8.300 2.242 1.00 0.00 N ATOM 0 H LYS A 19 5.427 -6.065 -2.140 1.00 0.00 H new ATOM 0 HA LYS A 19 3.262 -4.712 -0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.825 -6.891 0.355 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.530 -6.488 0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.325 -4.958 2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.618 -4.689 1.818 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.627 -6.020 3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.291 -7.177 2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.116 -6.627 3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.086 -7.821 4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.957 -9.186 2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.848 -8.484 1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.450 -7.925 1.675 1.00 0.00 H new ATOM 266 N VAL A 20 4.718 -2.798 0.049 1.00 0.00 N ATOM 267 CA VAL A 20 5.511 -1.591 0.254 1.00 0.00 C ATOM 268 C VAL A 20 5.369 -1.077 1.682 1.00 0.00 C ATOM 269 O VAL A 20 4.398 -1.389 2.372 1.00 0.00 O ATOM 270 CB VAL A 20 5.099 -0.476 -0.725 1.00 0.00 C ATOM 271 CG1 VAL A 20 5.346 -0.907 -2.163 1.00 0.00 C ATOM 272 CG2 VAL A 20 3.641 -0.097 -0.517 1.00 0.00 C ATOM 0 H VAL A 20 3.759 -2.736 0.391 1.00 0.00 H new ATOM 0 HA VAL A 20 6.551 -1.860 0.069 1.00 0.00 H new ATOM 0 HB VAL A 20 5.712 0.403 -0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.049 -0.106 -2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.405 -1.124 -2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.761 -1.801 -2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.367 0.692 -1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.010 -0.969 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.499 0.258 0.504 1.00 0.00 H new ATOM 282 N VAL A 21 6.345 -0.289 2.121 1.00 0.00 N ATOM 283 CA VAL A 21 6.329 0.270 3.466 1.00 0.00 C ATOM 284 C VAL A 21 6.386 1.794 3.430 1.00 0.00 C ATOM 285 O VAL A 21 7.364 2.377 2.966 1.00 0.00 O ATOM 286 CB VAL A 21 7.509 -0.255 4.307 1.00 0.00 C ATOM 287 CG1 VAL A 21 8.829 0.252 3.749 1.00 0.00 C ATOM 288 CG2 VAL A 21 7.345 0.148 5.764 1.00 0.00 C ATOM 0 H VAL A 21 7.157 -0.024 1.564 1.00 0.00 H new ATOM 0 HA VAL A 21 5.393 -0.046 3.927 1.00 0.00 H new ATOM 0 HB VAL A 21 7.515 -1.344 4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.651 -0.129 4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.946 -0.093 2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.838 1.342 3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.187 -0.231 6.343 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.313 1.235 5.839 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.418 -0.271 6.155 1.00 0.00 H new ATOM 298 N ALA A 22 5.329 2.431 3.923 1.00 0.00 N ATOM 299 CA ALA A 22 5.258 3.888 3.950 1.00 0.00 C ATOM 300 C ALA A 22 6.429 4.480 4.726 1.00 0.00 C ATOM 301 O ALA A 22 6.931 3.871 5.671 1.00 0.00 O ATOM 302 CB ALA A 22 3.938 4.341 4.554 1.00 0.00 C ATOM 0 H ALA A 22 4.510 1.962 4.309 1.00 0.00 H new ATOM 0 HA ALA A 22 5.317 4.249 2.923 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.899 5.430 4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.113 3.956 3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.855 3.962 5.573 1.00 0.00 H new ATOM 308 N ILE A 23 6.861 5.668 4.319 1.00 0.00 N ATOM 309 CA ILE A 23 7.973 6.343 4.977 1.00 0.00 C ATOM 310 C ILE A 23 7.574 7.739 5.439 1.00 0.00 C ATOM 311 O ILE A 23 8.055 8.228 6.463 1.00 0.00 O ATOM 312 CB ILE A 23 9.196 6.452 4.047 1.00 0.00 C ATOM 313 CG1 ILE A 23 8.748 6.720 2.608 1.00 0.00 C ATOM 314 CG2 ILE A 23 10.031 5.182 4.118 1.00 0.00 C ATOM 315 CD1 ILE A 23 9.888 7.048 1.672 1.00 0.00 C ATOM 0 H ILE A 23 6.458 6.184 3.537 1.00 0.00 H new ATOM 0 HA ILE A 23 8.239 5.739 5.844 1.00 0.00 H new ATOM 0 HB ILE A 23 9.812 7.288 4.379 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.220 5.844 2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.037 7.546 2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.891 5.275 3.455 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.376 5.030 5.141 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.425 4.330 3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.497 7.226 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.403 7.942 2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.588 6.213 1.645 1.00 0.00 H new ATOM 327 N TYR A 24 6.691 8.379 4.679 1.00 0.00 N ATOM 328 CA TYR A 24 6.226 9.720 5.010 1.00 0.00 C ATOM 329 C TYR A 24 4.724 9.728 5.269 1.00 0.00 C ATOM 330 O TYR A 24 4.021 8.770 4.946 1.00 0.00 O ATOM 331 CB TYR A 24 6.565 10.692 3.878 1.00 0.00 C ATOM 332 CG TYR A 24 8.031 10.703 3.507 1.00 0.00 C ATOM 333 CD1 TYR A 24 9.001 11.058 4.436 1.00 0.00 C ATOM 334 CD2 TYR A 24 8.445 10.361 2.226 1.00 0.00 C ATOM 335 CE1 TYR A 24 10.341 11.071 4.101 1.00 0.00 C ATOM 336 CE2 TYR A 24 9.784 10.369 1.882 1.00 0.00 C ATOM 337 CZ TYR A 24 10.727 10.725 2.824 1.00 0.00 C ATOM 338 OH TYR A 24 12.061 10.735 2.486 1.00 0.00 O ATOM 0 H TYR A 24 6.283 7.990 3.829 1.00 0.00 H new ATOM 0 HA TYR A 24 6.734 10.039 5.920 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.978 10.430 2.998 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.266 11.698 4.173 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.702 11.329 5.438 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.708 10.084 1.486 1.00 0.00 H new ATOM 0 HE1 TYR A 24 11.082 11.351 4.835 1.00 0.00 H new ATOM 0 HE2 TYR A 24 10.090 10.098 0.882 1.00 0.00 H new ATOM 0 HH TYR A 24 12.163 10.465 1.549 1.00 0.00 H new ATOM 348 N ASP A 25 4.237 10.817 5.855 1.00 0.00 N ATOM 349 CA ASP A 25 2.817 10.952 6.158 1.00 0.00 C ATOM 350 C ASP A 25 2.057 11.516 4.961 1.00 0.00 C ATOM 351 O ASP A 25 2.541 12.417 4.275 1.00 0.00 O ATOM 352 CB ASP A 25 2.618 11.855 7.376 1.00 0.00 C ATOM 353 CG ASP A 25 3.557 13.044 7.376 1.00 0.00 C ATOM 354 OD1 ASP A 25 4.685 12.909 7.897 1.00 0.00 O ATOM 355 OD2 ASP A 25 3.167 14.109 6.853 1.00 0.00 O ATOM 0 H ASP A 25 4.805 11.619 6.129 1.00 0.00 H new ATOM 0 HA ASP A 25 2.422 9.961 6.382 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.588 12.210 7.397 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.773 11.273 8.285 1.00 0.00 H new ATOM 360 N TYR A 26 0.867 10.979 4.717 1.00 0.00 N ATOM 361 CA TYR A 26 0.042 11.426 3.600 1.00 0.00 C ATOM 362 C TYR A 26 -1.428 11.489 4.000 1.00 0.00 C ATOM 363 O TYR A 26 -1.981 10.525 4.533 1.00 0.00 O ATOM 364 CB TYR A 26 0.217 10.492 2.402 1.00 0.00 C ATOM 365 CG TYR A 26 -0.763 10.753 1.281 1.00 0.00 C ATOM 366 CD1 TYR A 26 -0.489 11.694 0.297 1.00 0.00 C ATOM 367 CD2 TYR A 26 -1.964 10.058 1.206 1.00 0.00 C ATOM 368 CE1 TYR A 26 -1.382 11.937 -0.728 1.00 0.00 C ATOM 369 CE2 TYR A 26 -2.863 10.293 0.183 1.00 0.00 C ATOM 370 CZ TYR A 26 -2.567 11.234 -0.781 1.00 0.00 C ATOM 371 OH TYR A 26 -3.459 11.471 -1.801 1.00 0.00 O ATOM 0 H TYR A 26 0.452 10.234 5.277 1.00 0.00 H new ATOM 0 HA TYR A 26 0.367 12.428 3.320 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.232 10.595 2.017 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.106 9.461 2.737 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.439 12.245 0.334 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.199 9.321 1.960 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.153 12.674 -1.484 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.792 9.743 0.139 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.242 10.892 -1.692 1.00 0.00 H new ATOM 381 N THR A 27 -2.059 12.629 3.739 1.00 0.00 N ATOM 382 CA THR A 27 -3.465 12.820 4.071 1.00 0.00 C ATOM 383 C THR A 27 -4.321 12.903 2.814 1.00 0.00 C ATOM 384 O THR A 27 -4.236 13.869 2.054 1.00 0.00 O ATOM 385 CB THR A 27 -3.677 14.095 4.910 1.00 0.00 C ATOM 386 OG1 THR A 27 -2.826 14.071 6.060 1.00 0.00 O ATOM 387 CG2 THR A 27 -5.128 14.220 5.347 1.00 0.00 C ATOM 0 H THR A 27 -1.617 13.436 3.298 1.00 0.00 H new ATOM 0 HA THR A 27 -3.771 11.954 4.658 1.00 0.00 H new ATOM 0 HB THR A 27 -3.426 14.957 4.292 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.965 14.885 6.587 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.253 15.127 5.938 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.770 14.268 4.467 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.402 13.354 5.950 1.00 0.00 H new ATOM 395 N LYS A 28 -5.148 11.885 2.597 1.00 0.00 N ATOM 396 CA LYS A 28 -6.022 11.845 1.431 1.00 0.00 C ATOM 397 C LYS A 28 -6.863 13.114 1.336 1.00 0.00 C ATOM 398 O LYS A 28 -7.374 13.608 2.342 1.00 0.00 O ATOM 399 CB LYS A 28 -6.935 10.619 1.497 1.00 0.00 C ATOM 400 CG LYS A 28 -7.907 10.644 2.664 1.00 0.00 C ATOM 401 CD LYS A 28 -9.062 9.681 2.450 1.00 0.00 C ATOM 402 CE LYS A 28 -10.324 10.162 3.150 1.00 0.00 C ATOM 403 NZ LYS A 28 -11.247 9.036 3.464 1.00 0.00 N ATOM 0 H LYS A 28 -5.231 11.077 3.214 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.397 11.779 0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.499 10.547 0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.320 9.722 1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.381 10.384 3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.294 11.655 2.794 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.255 9.574 1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.789 8.695 2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.054 10.678 4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.837 10.886 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.095 9.405 3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.525 8.559 2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.767 8.357 4.089 1.00 0.00 H new ATOM 417 N ASP A 29 -7.004 13.635 0.123 1.00 0.00 N ATOM 418 CA ASP A 29 -7.785 14.847 -0.102 1.00 0.00 C ATOM 419 C ASP A 29 -9.230 14.504 -0.447 1.00 0.00 C ATOM 420 O ASP A 29 -10.147 15.279 -0.175 1.00 0.00 O ATOM 421 CB ASP A 29 -7.164 15.679 -1.226 1.00 0.00 C ATOM 422 CG ASP A 29 -8.130 16.698 -1.795 1.00 0.00 C ATOM 423 OD1 ASP A 29 -8.183 17.827 -1.264 1.00 0.00 O ATOM 424 OD2 ASP A 29 -8.834 16.367 -2.772 1.00 0.00 O ATOM 0 H ASP A 29 -6.588 13.238 -0.720 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.777 15.431 0.818 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.280 16.193 -0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.830 15.015 -2.023 1.00 0.00 H new ATOM 429 N LYS A 30 -9.429 13.337 -1.051 1.00 0.00 N ATOM 430 CA LYS A 30 -10.763 12.888 -1.434 1.00 0.00 C ATOM 431 C LYS A 30 -11.186 11.675 -0.613 1.00 0.00 C ATOM 432 O LYS A 30 -10.460 11.234 0.278 1.00 0.00 O ATOM 433 CB LYS A 30 -10.800 12.546 -2.926 1.00 0.00 C ATOM 434 CG LYS A 30 -10.142 13.596 -3.806 1.00 0.00 C ATOM 435 CD LYS A 30 -11.101 14.726 -4.138 1.00 0.00 C ATOM 436 CE LYS A 30 -10.456 15.752 -5.057 1.00 0.00 C ATOM 437 NZ LYS A 30 -10.617 15.390 -6.493 1.00 0.00 N ATOM 0 H LYS A 30 -8.682 12.684 -1.286 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.463 13.700 -1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.303 11.589 -3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.837 12.422 -3.236 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.265 13.999 -3.299 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.792 13.132 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.993 14.319 -4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.424 15.213 -3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.901 16.731 -4.877 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.395 15.835 -4.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.164 16.114 -7.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.171 14.468 -6.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.629 15.335 -6.726 1.00 0.00 H new ATOM 451 N GLU A 31 -12.364 11.140 -0.919 1.00 0.00 N ATOM 452 CA GLU A 31 -12.882 9.976 -0.209 1.00 0.00 C ATOM 453 C GLU A 31 -12.644 8.700 -1.010 1.00 0.00 C ATOM 454 O GLU A 31 -13.456 7.776 -0.981 1.00 0.00 O ATOM 455 CB GLU A 31 -14.377 10.145 0.070 1.00 0.00 C ATOM 456 CG GLU A 31 -15.212 10.341 -1.186 1.00 0.00 C ATOM 457 CD GLU A 31 -16.682 10.558 -0.881 1.00 0.00 C ATOM 458 OE1 GLU A 31 -17.067 11.716 -0.614 1.00 0.00 O ATOM 459 OE2 GLU A 31 -17.446 9.571 -0.908 1.00 0.00 O ATOM 0 H GLU A 31 -12.977 11.494 -1.653 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.350 9.894 0.739 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.740 9.267 0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.521 11.001 0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.830 11.197 -1.742 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.103 9.468 -1.830 1.00 0.00 H new ATOM 466 N ASP A 32 -11.524 8.657 -1.724 1.00 0.00 N ATOM 467 CA ASP A 32 -11.178 7.493 -2.533 1.00 0.00 C ATOM 468 C ASP A 32 -9.762 7.020 -2.224 1.00 0.00 C ATOM 469 O ASP A 32 -9.496 5.820 -2.176 1.00 0.00 O ATOM 470 CB ASP A 32 -11.305 7.825 -4.020 1.00 0.00 C ATOM 471 CG ASP A 32 -12.744 8.046 -4.443 1.00 0.00 C ATOM 472 OD1 ASP A 32 -13.584 7.161 -4.178 1.00 0.00 O ATOM 473 OD2 ASP A 32 -13.031 9.105 -5.041 1.00 0.00 O ATOM 0 H ASP A 32 -10.841 9.414 -1.759 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.872 6.689 -2.287 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.723 8.720 -4.240 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.877 7.013 -4.608 1.00 0.00 H new ATOM 478 N GLU A 33 -8.857 7.970 -2.016 1.00 0.00 N ATOM 479 CA GLU A 33 -7.467 7.649 -1.714 1.00 0.00 C ATOM 480 C GLU A 33 -7.343 7.015 -0.332 1.00 0.00 C ATOM 481 O GLU A 33 -8.344 6.751 0.334 1.00 0.00 O ATOM 482 CB GLU A 33 -6.600 8.909 -1.789 1.00 0.00 C ATOM 483 CG GLU A 33 -6.452 9.463 -3.195 1.00 0.00 C ATOM 484 CD GLU A 33 -7.604 10.364 -3.592 1.00 0.00 C ATOM 485 OE1 GLU A 33 -7.545 11.573 -3.285 1.00 0.00 O ATOM 486 OE2 GLU A 33 -8.564 9.861 -4.213 1.00 0.00 O ATOM 0 H GLU A 33 -9.061 8.969 -2.051 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.117 6.932 -2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.034 9.677 -1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.611 8.683 -1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.518 10.021 -3.265 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.382 8.636 -3.902 1.00 0.00 H new ATOM 493 N LEU A 34 -6.108 6.774 0.093 1.00 0.00 N ATOM 494 CA LEU A 34 -5.851 6.169 1.396 1.00 0.00 C ATOM 495 C LEU A 34 -4.889 7.025 2.214 1.00 0.00 C ATOM 496 O LEU A 34 -3.989 7.662 1.664 1.00 0.00 O ATOM 497 CB LEU A 34 -5.281 4.761 1.224 1.00 0.00 C ATOM 498 CG LEU A 34 -5.561 3.780 2.363 1.00 0.00 C ATOM 499 CD1 LEU A 34 -5.628 2.356 1.836 1.00 0.00 C ATOM 500 CD2 LEU A 34 -4.496 3.901 3.445 1.00 0.00 C ATOM 0 H LEU A 34 -5.268 6.988 -0.445 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.798 6.107 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.680 4.339 0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.201 4.841 1.097 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.527 4.029 2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.828 1.672 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.427 2.278 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.677 2.095 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.711 3.196 4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.518 3.679 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.496 4.915 3.844 1.00 0.00 H new ATOM 512 N SER A 35 -5.080 7.033 3.528 1.00 0.00 N ATOM 513 CA SER A 35 -4.228 7.811 4.420 1.00 0.00 C ATOM 514 C SER A 35 -3.402 6.896 5.320 1.00 0.00 C ATOM 515 O SER A 35 -3.930 5.960 5.923 1.00 0.00 O ATOM 516 CB SER A 35 -5.078 8.754 5.277 1.00 0.00 C ATOM 517 OG SER A 35 -5.382 9.946 4.572 1.00 0.00 O ATOM 0 H SER A 35 -5.817 6.509 4.000 1.00 0.00 H new ATOM 0 HA SER A 35 -3.546 8.401 3.807 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.002 8.254 5.568 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.544 8.997 6.196 1.00 0.00 H new ATOM 0 HG SER A 35 -5.953 10.517 5.127 1.00 0.00 H new ATOM 523 N PHE A 36 -2.106 7.172 5.403 1.00 0.00 N ATOM 524 CA PHE A 36 -1.206 6.372 6.227 1.00 0.00 C ATOM 525 C PHE A 36 -0.091 7.237 6.809 1.00 0.00 C ATOM 526 O PHE A 36 0.198 8.319 6.299 1.00 0.00 O ATOM 527 CB PHE A 36 -0.606 5.230 5.404 1.00 0.00 C ATOM 528 CG PHE A 36 -0.096 5.664 4.060 1.00 0.00 C ATOM 529 CD1 PHE A 36 1.186 6.169 3.921 1.00 0.00 C ATOM 530 CD2 PHE A 36 -0.899 5.566 2.935 1.00 0.00 C ATOM 531 CE1 PHE A 36 1.658 6.569 2.685 1.00 0.00 C ATOM 532 CE2 PHE A 36 -0.431 5.964 1.696 1.00 0.00 C ATOM 533 CZ PHE A 36 0.848 6.465 1.571 1.00 0.00 C ATOM 0 H PHE A 36 -1.654 7.943 4.911 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.783 5.951 7.050 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.212 4.779 5.966 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.362 4.457 5.265 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.824 6.251 4.788 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.901 5.175 3.027 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.659 6.963 2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.067 5.883 0.827 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.215 6.775 0.604 1.00 0.00 H new ATOM 543 N GLN A 37 0.529 6.749 7.879 1.00 0.00 N ATOM 544 CA GLN A 37 1.612 7.477 8.529 1.00 0.00 C ATOM 545 C GLN A 37 2.938 6.740 8.369 1.00 0.00 C ATOM 546 O GLN A 37 2.966 5.574 7.977 1.00 0.00 O ATOM 547 CB GLN A 37 1.301 7.674 10.014 1.00 0.00 C ATOM 548 CG GLN A 37 0.186 8.672 10.275 1.00 0.00 C ATOM 549 CD GLN A 37 -0.467 8.477 11.629 1.00 0.00 C ATOM 550 OE1 GLN A 37 0.178 8.620 12.669 1.00 0.00 O ATOM 551 NE2 GLN A 37 -1.755 8.151 11.626 1.00 0.00 N ATOM 0 H GLN A 37 0.300 5.855 8.313 1.00 0.00 H new ATOM 0 HA GLN A 37 1.700 8.452 8.050 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.027 6.713 10.450 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.204 8.009 10.524 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.587 9.684 10.212 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.570 8.579 9.495 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.252 8.043 10.742 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.247 8.009 12.508 1.00 0.00 H new ATOM 560 N GLU A 38 4.033 7.429 8.674 1.00 0.00 N ATOM 561 CA GLU A 38 5.362 6.839 8.561 1.00 0.00 C ATOM 562 C GLU A 38 5.430 5.506 9.303 1.00 0.00 C ATOM 563 O GLU A 38 5.127 5.428 10.492 1.00 0.00 O ATOM 564 CB GLU A 38 6.419 7.797 9.116 1.00 0.00 C ATOM 565 CG GLU A 38 7.760 7.135 9.382 1.00 0.00 C ATOM 566 CD GLU A 38 8.726 8.049 10.110 1.00 0.00 C ATOM 567 OE1 GLU A 38 8.593 9.283 9.972 1.00 0.00 O ATOM 568 OE2 GLU A 38 9.616 7.531 10.818 1.00 0.00 O ATOM 0 H GLU A 38 4.026 8.395 9.001 1.00 0.00 H new ATOM 0 HA GLU A 38 5.563 6.659 7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.561 8.616 8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.049 8.235 10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.605 6.232 9.972 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.202 6.825 8.435 1.00 0.00 H new ATOM 575 N GLY A 39 5.830 4.458 8.588 1.00 0.00 N ATOM 576 CA GLY A 39 5.930 3.142 9.192 1.00 0.00 C ATOM 577 C GLY A 39 4.663 2.329 9.022 1.00 0.00 C ATOM 578 O GLY A 39 4.272 1.582 9.918 1.00 0.00 O ATOM 0 H GLY A 39 6.086 4.497 7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.766 2.603 8.746 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.150 3.249 10.254 1.00 0.00 H new ATOM 582 N ALA A 40 4.019 2.473 7.869 1.00 0.00 N ATOM 583 CA ALA A 40 2.789 1.745 7.584 1.00 0.00 C ATOM 584 C ALA A 40 2.901 0.966 6.276 1.00 0.00 C ATOM 585 O ALA A 40 3.050 1.555 5.205 1.00 0.00 O ATOM 586 CB ALA A 40 1.608 2.703 7.528 1.00 0.00 C ATOM 0 H ALA A 40 4.329 3.088 7.116 1.00 0.00 H new ATOM 0 HA ALA A 40 2.626 1.030 8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.697 2.145 7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.506 3.211 8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.774 3.440 6.743 1.00 0.00 H new ATOM 592 N ILE A 41 2.831 -0.355 6.374 1.00 0.00 N ATOM 593 CA ILE A 41 2.926 -1.214 5.200 1.00 0.00 C ATOM 594 C ILE A 41 1.582 -1.323 4.489 1.00 0.00 C ATOM 595 O ILE A 41 0.530 -1.352 5.129 1.00 0.00 O ATOM 596 CB ILE A 41 3.412 -2.628 5.571 1.00 0.00 C ATOM 597 CG1 ILE A 41 4.840 -2.572 6.118 1.00 0.00 C ATOM 598 CG2 ILE A 41 3.337 -3.548 4.363 1.00 0.00 C ATOM 599 CD1 ILE A 41 4.924 -2.060 7.539 1.00 0.00 C ATOM 0 H ILE A 41 2.709 -0.856 7.254 1.00 0.00 H new ATOM 0 HA ILE A 41 3.654 -0.753 4.532 1.00 0.00 H new ATOM 0 HB ILE A 41 2.761 -3.028 6.348 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.277 -3.570 6.074 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.442 -1.932 5.474 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.684 -4.543 4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.306 -3.607 4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.967 -3.154 3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.965 -2.048 7.860 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.518 -1.050 7.586 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.349 -2.713 8.196 1.00 0.00 H new ATOM 611 N ILE A 42 1.624 -1.382 3.161 1.00 0.00 N ATOM 612 CA ILE A 42 0.408 -1.490 2.363 1.00 0.00 C ATOM 613 C ILE A 42 0.565 -2.534 1.263 1.00 0.00 C ATOM 614 O ILE A 42 1.563 -2.548 0.543 1.00 0.00 O ATOM 615 CB ILE A 42 0.032 -0.139 1.725 1.00 0.00 C ATOM 616 CG1 ILE A 42 -0.244 0.904 2.810 1.00 0.00 C ATOM 617 CG2 ILE A 42 -1.180 -0.300 0.819 1.00 0.00 C ATOM 618 CD1 ILE A 42 0.067 2.320 2.381 1.00 0.00 C ATOM 0 H ILE A 42 2.486 -1.357 2.616 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.389 -1.796 3.040 1.00 0.00 H new ATOM 0 HB ILE A 42 0.871 0.206 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.292 0.844 3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.347 0.663 3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.433 0.663 0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.951 -1.014 0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.025 -0.664 1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.153 3.005 3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.122 2.397 2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.544 2.581 1.516 1.00 0.00 H new ATOM 630 N TYR A 43 -0.431 -3.404 1.137 1.00 0.00 N ATOM 631 CA TYR A 43 -0.404 -4.452 0.123 1.00 0.00 C ATOM 632 C TYR A 43 -0.944 -3.938 -1.208 1.00 0.00 C ATOM 633 O TYR A 43 -2.154 -3.836 -1.404 1.00 0.00 O ATOM 634 CB TYR A 43 -1.223 -5.659 0.586 1.00 0.00 C ATOM 635 CG TYR A 43 -0.773 -6.223 1.913 1.00 0.00 C ATOM 636 CD1 TYR A 43 0.379 -6.995 2.007 1.00 0.00 C ATOM 637 CD2 TYR A 43 -1.499 -5.986 3.074 1.00 0.00 C ATOM 638 CE1 TYR A 43 0.794 -7.515 3.219 1.00 0.00 C ATOM 639 CE2 TYR A 43 -1.089 -6.499 4.289 1.00 0.00 C ATOM 640 CZ TYR A 43 0.057 -7.264 4.357 1.00 0.00 C ATOM 641 OH TYR A 43 0.466 -7.778 5.564 1.00 0.00 O ATOM 0 H TYR A 43 -1.266 -3.405 1.723 1.00 0.00 H new ATOM 0 HA TYR A 43 0.633 -4.757 -0.020 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.271 -5.369 0.661 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.162 -6.441 -0.171 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.960 -7.192 1.118 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.399 -5.391 3.025 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.691 -8.115 3.274 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -1.663 -6.302 5.182 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.163 -7.507 6.265 1.00 0.00 H new ATOM 651 N VAL A 44 -0.033 -3.614 -2.122 1.00 0.00 N ATOM 652 CA VAL A 44 -0.416 -3.111 -3.436 1.00 0.00 C ATOM 653 C VAL A 44 -1.063 -4.205 -4.278 1.00 0.00 C ATOM 654 O VAL A 44 -0.401 -5.159 -4.689 1.00 0.00 O ATOM 655 CB VAL A 44 0.799 -2.547 -4.196 1.00 0.00 C ATOM 656 CG1 VAL A 44 0.405 -2.140 -5.608 1.00 0.00 C ATOM 657 CG2 VAL A 44 1.399 -1.369 -3.442 1.00 0.00 C ATOM 0 H VAL A 44 0.974 -3.691 -1.976 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.137 -2.311 -3.270 1.00 0.00 H new ATOM 0 HB VAL A 44 1.555 -3.329 -4.266 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.277 -1.744 -6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.025 -3.009 -6.145 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.370 -1.375 -5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.256 -0.983 -3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.650 -0.584 -3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.721 -1.696 -2.453 1.00 0.00 H new ATOM 667 N ILE A 45 -2.360 -4.063 -4.528 1.00 0.00 N ATOM 668 CA ILE A 45 -3.096 -5.040 -5.321 1.00 0.00 C ATOM 669 C ILE A 45 -3.313 -4.538 -6.745 1.00 0.00 C ATOM 670 O ILE A 45 -3.574 -5.322 -7.658 1.00 0.00 O ATOM 671 CB ILE A 45 -4.462 -5.363 -4.689 1.00 0.00 C ATOM 672 CG1 ILE A 45 -5.225 -4.073 -4.381 1.00 0.00 C ATOM 673 CG2 ILE A 45 -4.278 -6.190 -3.425 1.00 0.00 C ATOM 674 CD1 ILE A 45 -6.663 -4.304 -3.972 1.00 0.00 C ATOM 0 H ILE A 45 -2.923 -3.281 -4.193 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.493 -5.948 -5.345 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.046 -5.947 -5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.710 -3.538 -3.583 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.205 -3.430 -5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.253 -6.411 -2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.771 -7.123 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.678 -5.630 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.142 -3.346 -3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.193 -4.811 -4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.691 -4.921 -3.074 1.00 0.00 H new ATOM 686 N LYS A 46 -3.202 -3.228 -6.928 1.00 0.00 N ATOM 687 CA LYS A 46 -3.384 -2.621 -8.242 1.00 0.00 C ATOM 688 C LYS A 46 -2.363 -1.512 -8.474 1.00 0.00 C ATOM 689 O LYS A 46 -2.077 -0.719 -7.576 1.00 0.00 O ATOM 690 CB LYS A 46 -4.802 -2.061 -8.377 1.00 0.00 C ATOM 691 CG LYS A 46 -5.805 -3.067 -8.913 1.00 0.00 C ATOM 692 CD LYS A 46 -6.986 -2.378 -9.576 1.00 0.00 C ATOM 693 CE LYS A 46 -6.643 -1.911 -10.983 1.00 0.00 C ATOM 694 NZ LYS A 46 -6.422 -3.057 -11.908 1.00 0.00 N ATOM 0 H LYS A 46 -2.987 -2.565 -6.183 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.233 -3.394 -8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.139 -1.709 -7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.780 -1.195 -9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.315 -3.723 -9.632 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.161 -3.697 -8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.833 -3.063 -9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.295 -1.524 -8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.450 -1.286 -11.365 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.747 -1.291 -10.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.527 -2.735 -12.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.464 -3.436 -11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.121 -3.802 -11.711 1.00 0.00 H new ATOM 708 N LYS A 47 -1.818 -1.458 -9.685 1.00 0.00 N ATOM 709 CA LYS A 47 -0.832 -0.443 -10.036 1.00 0.00 C ATOM 710 C LYS A 47 -1.198 0.238 -11.351 1.00 0.00 C ATOM 711 O LYS A 47 -1.119 -0.368 -12.419 1.00 0.00 O ATOM 712 CB LYS A 47 0.559 -1.072 -10.146 1.00 0.00 C ATOM 713 CG LYS A 47 1.301 -1.142 -8.822 1.00 0.00 C ATOM 714 CD LYS A 47 2.760 -1.515 -9.020 1.00 0.00 C ATOM 715 CE LYS A 47 3.610 -1.089 -7.832 1.00 0.00 C ATOM 716 NZ LYS A 47 5.015 -1.566 -7.957 1.00 0.00 N ATOM 0 H LYS A 47 -2.043 -2.106 -10.440 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.824 0.309 -9.247 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.462 -2.079 -10.552 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.153 -0.497 -10.856 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.236 -0.179 -8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.822 -1.875 -8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.845 -2.592 -9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.138 -1.043 -9.927 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.601 -0.002 -7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.173 -1.481 -6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.424 -1.694 -7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.030 -2.473 -8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.574 -0.865 -8.484 1.00 0.00 H new ATOM 730 N ASN A 48 -1.597 1.504 -11.265 1.00 0.00 N ATOM 731 CA ASN A 48 -1.973 2.268 -12.448 1.00 0.00 C ATOM 732 C ASN A 48 -0.742 2.847 -13.136 1.00 0.00 C ATOM 733 O ASN A 48 0.270 3.125 -12.492 1.00 0.00 O ATOM 734 CB ASN A 48 -2.935 3.396 -12.067 1.00 0.00 C ATOM 735 CG ASN A 48 -4.222 2.875 -11.454 1.00 0.00 C ATOM 736 OD1 ASN A 48 -5.091 2.359 -12.155 1.00 0.00 O ATOM 737 ND2 ASN A 48 -4.346 3.012 -10.139 1.00 0.00 N ATOM 0 H ASN A 48 -1.668 2.021 -10.389 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.471 1.592 -13.143 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.444 4.066 -11.361 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.170 3.985 -12.954 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.189 2.682 -9.669 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.598 3.447 -9.599 1.00 0.00 H new ATOM 744 N ASP A 49 -0.835 3.027 -14.451 1.00 0.00 N ATOM 745 CA ASP A 49 0.271 3.573 -15.227 1.00 0.00 C ATOM 746 C ASP A 49 1.024 4.634 -14.430 1.00 0.00 C ATOM 747 O ASP A 49 2.221 4.502 -14.176 1.00 0.00 O ATOM 748 CB ASP A 49 -0.244 4.172 -16.536 1.00 0.00 C ATOM 749 CG ASP A 49 -1.128 3.209 -17.305 1.00 0.00 C ATOM 750 OD1 ASP A 49 -0.676 2.077 -17.576 1.00 0.00 O ATOM 751 OD2 ASP A 49 -2.270 3.588 -17.636 1.00 0.00 O ATOM 0 H ASP A 49 -1.665 2.802 -15.000 1.00 0.00 H new ATOM 0 HA ASP A 49 0.959 2.759 -15.454 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.804 5.082 -16.320 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.603 4.459 -17.159 1.00 0.00 H new ATOM 756 N ASP A 50 0.313 5.686 -14.038 1.00 0.00 N ATOM 757 CA ASP A 50 0.914 6.771 -13.269 1.00 0.00 C ATOM 758 C ASP A 50 1.193 6.330 -11.835 1.00 0.00 C ATOM 759 O ASP A 50 0.912 5.193 -11.459 1.00 0.00 O ATOM 760 CB ASP A 50 -0.004 7.994 -13.271 1.00 0.00 C ATOM 761 CG ASP A 50 -0.217 8.555 -14.663 1.00 0.00 C ATOM 762 OD1 ASP A 50 -0.735 7.816 -15.526 1.00 0.00 O ATOM 763 OD2 ASP A 50 0.134 9.732 -14.890 1.00 0.00 O ATOM 0 H ASP A 50 -0.679 5.811 -14.240 1.00 0.00 H new ATOM 0 HA ASP A 50 1.861 7.037 -13.739 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.968 7.722 -12.841 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.424 8.767 -12.632 1.00 0.00 H new ATOM 768 N GLY A 51 1.747 7.240 -11.039 1.00 0.00 N ATOM 769 CA GLY A 51 2.054 6.926 -9.656 1.00 0.00 C ATOM 770 C GLY A 51 0.810 6.804 -8.798 1.00 0.00 C ATOM 771 O GLY A 51 0.503 7.699 -8.009 1.00 0.00 O ATOM 0 H GLY A 51 1.988 8.188 -11.327 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.613 5.991 -9.615 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.700 7.702 -9.245 1.00 0.00 H new ATOM 775 N TRP A 52 0.093 5.698 -8.952 1.00 0.00 N ATOM 776 CA TRP A 52 -1.125 5.464 -8.186 1.00 0.00 C ATOM 777 C TRP A 52 -1.436 3.974 -8.099 1.00 0.00 C ATOM 778 O TRP A 52 -1.790 3.345 -9.097 1.00 0.00 O ATOM 779 CB TRP A 52 -2.302 6.208 -8.821 1.00 0.00 C ATOM 780 CG TRP A 52 -2.103 7.691 -8.883 1.00 0.00 C ATOM 781 CD1 TRP A 52 -1.603 8.407 -9.933 1.00 0.00 C ATOM 782 CD2 TRP A 52 -2.400 8.639 -7.853 1.00 0.00 C ATOM 783 NE1 TRP A 52 -1.569 9.744 -9.617 1.00 0.00 N ATOM 784 CE2 TRP A 52 -2.054 9.913 -8.346 1.00 0.00 C ATOM 785 CE3 TRP A 52 -2.926 8.537 -6.562 1.00 0.00 C ATOM 786 CZ2 TRP A 52 -2.217 11.073 -7.593 1.00 0.00 C ATOM 787 CZ3 TRP A 52 -3.086 9.690 -5.815 1.00 0.00 C ATOM 788 CH2 TRP A 52 -2.734 10.943 -6.332 1.00 0.00 C ATOM 0 H TRP A 52 0.334 4.949 -9.601 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.968 5.842 -7.176 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.461 5.828 -9.830 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -3.207 5.994 -8.253 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.282 7.985 -10.874 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -1.237 10.490 -10.229 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -3.202 7.575 -6.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -1.945 12.040 -7.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.489 9.623 -4.815 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -2.873 11.824 -5.724 1.00 0.00 H new ATOM 799 N TYR A 53 -1.303 3.414 -6.902 1.00 0.00 N ATOM 800 CA TYR A 53 -1.568 1.996 -6.686 1.00 0.00 C ATOM 801 C TYR A 53 -2.623 1.799 -5.602 1.00 0.00 C ATOM 802 O TYR A 53 -2.731 2.599 -4.672 1.00 0.00 O ATOM 803 CB TYR A 53 -0.280 1.271 -6.297 1.00 0.00 C ATOM 804 CG TYR A 53 0.963 1.872 -6.913 1.00 0.00 C ATOM 805 CD1 TYR A 53 0.997 2.225 -8.256 1.00 0.00 C ATOM 806 CD2 TYR A 53 2.105 2.085 -6.151 1.00 0.00 C ATOM 807 CE1 TYR A 53 2.131 2.774 -8.822 1.00 0.00 C ATOM 808 CE2 TYR A 53 3.244 2.634 -6.708 1.00 0.00 C ATOM 809 CZ TYR A 53 3.253 2.976 -8.044 1.00 0.00 C ATOM 810 OH TYR A 53 4.384 3.523 -8.603 1.00 0.00 O ATOM 0 H TYR A 53 -1.013 3.921 -6.066 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.947 1.576 -7.617 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.180 1.283 -5.212 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.356 0.226 -6.598 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.121 2.067 -8.868 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.102 1.817 -5.105 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.140 3.044 -9.868 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.122 2.794 -6.101 1.00 0.00 H new ATOM 0 HH TYR A 53 5.082 3.599 -7.920 1.00 0.00 H new ATOM 820 N GLU A 54 -3.401 0.728 -5.731 1.00 0.00 N ATOM 821 CA GLU A 54 -4.448 0.425 -4.763 1.00 0.00 C ATOM 822 C GLU A 54 -3.934 -0.525 -3.684 1.00 0.00 C ATOM 823 O GLU A 54 -3.363 -1.573 -3.985 1.00 0.00 O ATOM 824 CB GLU A 54 -5.659 -0.193 -5.465 1.00 0.00 C ATOM 825 CG GLU A 54 -6.981 0.110 -4.779 1.00 0.00 C ATOM 826 CD GLU A 54 -8.136 -0.674 -5.369 1.00 0.00 C ATOM 827 OE1 GLU A 54 -8.187 -0.812 -6.608 1.00 0.00 O ATOM 828 OE2 GLU A 54 -8.991 -1.148 -4.592 1.00 0.00 O ATOM 0 H GLU A 54 -3.326 0.057 -6.496 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.749 1.359 -4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.699 0.173 -6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.526 -1.274 -5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.896 -0.119 -3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.192 1.176 -4.859 1.00 0.00 H new ATOM 835 N GLY A 55 -4.140 -0.149 -2.426 1.00 0.00 N ATOM 836 CA GLY A 55 -3.691 -0.976 -1.321 1.00 0.00 C ATOM 837 C GLY A 55 -4.648 -0.944 -0.146 1.00 0.00 C ATOM 838 O GLY A 55 -5.360 0.040 0.058 1.00 0.00 O ATOM 0 H GLY A 55 -4.610 0.714 -2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.576 -2.004 -1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.708 -0.637 -0.994 1.00 0.00 H new ATOM 842 N VAL A 56 -4.669 -2.024 0.629 1.00 0.00 N ATOM 843 CA VAL A 56 -5.547 -2.116 1.790 1.00 0.00 C ATOM 844 C VAL A 56 -4.809 -1.735 3.067 1.00 0.00 C ATOM 845 O VAL A 56 -3.628 -2.042 3.231 1.00 0.00 O ATOM 846 CB VAL A 56 -6.121 -3.537 1.946 1.00 0.00 C ATOM 847 CG1 VAL A 56 -6.961 -3.635 3.211 1.00 0.00 C ATOM 848 CG2 VAL A 56 -6.939 -3.918 0.721 1.00 0.00 C ATOM 0 H VAL A 56 -4.088 -2.848 0.474 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.367 -1.417 1.625 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.292 -4.239 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.359 -4.645 3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.341 -3.406 4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.785 -2.924 3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.337 -4.925 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.763 -3.215 0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.304 -3.888 -0.164 1.00 0.00 H new ATOM 858 N MET A 57 -5.513 -1.060 3.972 1.00 0.00 N ATOM 859 CA MET A 57 -4.925 -0.637 5.237 1.00 0.00 C ATOM 860 C MET A 57 -5.955 -0.693 6.360 1.00 0.00 C ATOM 861 O MET A 57 -7.041 -0.124 6.249 1.00 0.00 O ATOM 862 CB MET A 57 -4.363 0.780 5.115 1.00 0.00 C ATOM 863 CG MET A 57 -3.339 1.123 6.183 1.00 0.00 C ATOM 864 SD MET A 57 -4.099 1.590 7.750 1.00 0.00 S ATOM 865 CE MET A 57 -3.997 3.376 7.655 1.00 0.00 C ATOM 0 H MET A 57 -6.491 -0.795 3.852 1.00 0.00 H new ATOM 0 HA MET A 57 -4.112 -1.322 5.478 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.904 0.896 4.133 1.00 0.00 H new ATOM 0 HB3 MET A 57 -5.185 1.494 5.169 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.685 0.266 6.342 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.712 1.941 5.830 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.175 3.804 8.642 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.006 3.666 7.307 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.749 3.747 6.958 1.00 0.00 H new ATOM 875 N ASN A 58 -5.607 -1.382 7.443 1.00 0.00 N ATOM 876 CA ASN A 58 -6.505 -1.512 8.586 1.00 0.00 C ATOM 877 C ASN A 58 -7.950 -1.672 8.129 1.00 0.00 C ATOM 878 O ASN A 58 -8.854 -1.024 8.654 1.00 0.00 O ATOM 879 CB ASN A 58 -6.379 -0.291 9.500 1.00 0.00 C ATOM 880 CG ASN A 58 -7.171 -0.447 10.784 1.00 0.00 C ATOM 881 OD1 ASN A 58 -8.314 0.224 10.859 1.00 0.00 O flip ATOM 882 ND2 ASN A 58 -6.758 -1.161 11.698 1.00 0.00 N flip ATOM 0 H ASN A 58 -4.712 -1.858 7.553 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.219 -2.405 9.141 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.329 -0.128 9.742 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.725 0.595 8.968 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.873 -1.659 11.597 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -7.300 -1.255 12.557 1.00 0.00 H new ATOM 889 N GLY A 59 -8.161 -2.542 7.146 1.00 0.00 N ATOM 890 CA GLY A 59 -9.500 -2.773 6.633 1.00 0.00 C ATOM 891 C GLY A 59 -9.895 -1.767 5.571 1.00 0.00 C ATOM 892 O GLY A 59 -10.511 -2.124 4.566 1.00 0.00 O ATOM 0 H GLY A 59 -7.429 -3.091 6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.558 -3.778 6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.214 -2.728 7.456 1.00 0.00 H new ATOM 896 N VAL A 60 -9.542 -0.505 5.791 1.00 0.00 N ATOM 897 CA VAL A 60 -9.864 0.556 4.845 1.00 0.00 C ATOM 898 C VAL A 60 -8.948 0.504 3.629 1.00 0.00 C ATOM 899 O VAL A 60 -7.724 0.544 3.755 1.00 0.00 O ATOM 900 CB VAL A 60 -9.752 1.946 5.500 1.00 0.00 C ATOM 901 CG1 VAL A 60 -10.074 3.039 4.493 1.00 0.00 C ATOM 902 CG2 VAL A 60 -10.668 2.039 6.711 1.00 0.00 C ATOM 0 H VAL A 60 -9.032 -0.192 6.617 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.894 0.395 4.527 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.725 2.088 5.837 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.990 4.013 4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.373 2.984 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.090 2.904 4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.576 3.027 7.162 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.700 1.876 6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.385 1.280 7.440 1.00 0.00 H new ATOM 912 N THR A 61 -9.548 0.415 2.445 1.00 0.00 N ATOM 913 CA THR A 61 -8.787 0.357 1.204 1.00 0.00 C ATOM 914 C THR A 61 -8.899 1.664 0.428 1.00 0.00 C ATOM 915 O THR A 61 -9.909 2.362 0.512 1.00 0.00 O ATOM 916 CB THR A 61 -9.262 -0.803 0.307 1.00 0.00 C ATOM 917 OG1 THR A 61 -9.249 -2.029 1.045 1.00 0.00 O ATOM 918 CG2 THR A 61 -8.374 -0.934 -0.921 1.00 0.00 C ATOM 0 H THR A 61 -10.560 0.382 2.321 1.00 0.00 H new ATOM 0 HA THR A 61 -7.746 0.190 1.480 1.00 0.00 H new ATOM 0 HB THR A 61 -10.279 -0.588 -0.021 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.714 -2.724 0.534 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.728 -1.759 -1.540 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.409 -0.008 -1.496 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.348 -1.129 -0.609 1.00 0.00 H new ATOM 926 N GLY A 62 -7.855 1.989 -0.329 1.00 0.00 N ATOM 927 CA GLY A 62 -7.859 3.213 -1.109 1.00 0.00 C ATOM 928 C GLY A 62 -6.575 3.406 -1.891 1.00 0.00 C ATOM 929 O GLY A 62 -5.518 2.909 -1.496 1.00 0.00 O ATOM 0 H GLY A 62 -7.008 1.427 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.702 3.198 -1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.007 4.064 -0.444 1.00 0.00 H new ATOM 933 N LEU A 63 -6.662 4.125 -3.004 1.00 0.00 N ATOM 934 CA LEU A 63 -5.498 4.381 -3.843 1.00 0.00 C ATOM 935 C LEU A 63 -4.558 5.383 -3.182 1.00 0.00 C ATOM 936 O LEU A 63 -4.988 6.232 -2.400 1.00 0.00 O ATOM 937 CB LEU A 63 -5.936 4.904 -5.212 1.00 0.00 C ATOM 938 CG LEU A 63 -6.459 3.856 -6.195 1.00 0.00 C ATOM 939 CD1 LEU A 63 -7.958 3.660 -6.021 1.00 0.00 C ATOM 940 CD2 LEU A 63 -6.134 4.257 -7.627 1.00 0.00 C ATOM 0 H LEU A 63 -7.528 4.541 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.963 3.440 -3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.715 5.652 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.089 5.414 -5.672 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.963 2.909 -5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.312 2.911 -6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.166 3.325 -5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.472 4.604 -6.204 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.514 3.499 -8.312 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.601 5.216 -7.851 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.054 4.343 -7.744 1.00 0.00 H new ATOM 952 N PHE A 64 -3.271 5.281 -3.501 1.00 0.00 N ATOM 953 CA PHE A 64 -2.271 6.180 -2.939 1.00 0.00 C ATOM 954 C PHE A 64 -1.098 6.358 -3.898 1.00 0.00 C ATOM 955 O PHE A 64 -0.731 5.449 -4.645 1.00 0.00 O ATOM 956 CB PHE A 64 -1.769 5.643 -1.596 1.00 0.00 C ATOM 957 CG PHE A 64 -1.141 4.281 -1.692 1.00 0.00 C ATOM 958 CD1 PHE A 64 -1.930 3.143 -1.750 1.00 0.00 C ATOM 959 CD2 PHE A 64 0.237 4.140 -1.726 1.00 0.00 C ATOM 960 CE1 PHE A 64 -1.354 1.890 -1.839 1.00 0.00 C ATOM 961 CE2 PHE A 64 0.818 2.890 -1.814 1.00 0.00 C ATOM 962 CZ PHE A 64 0.021 1.762 -1.871 1.00 0.00 C ATOM 0 H PHE A 64 -2.897 4.585 -4.146 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.740 7.151 -2.783 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.041 6.342 -1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.603 5.601 -0.896 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.006 3.236 -1.725 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.864 5.018 -1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.979 1.010 -1.884 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.893 2.794 -1.838 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.472 0.783 -1.940 1.00 0.00 H new ATOM 972 N PRO A 65 -0.495 7.556 -3.880 1.00 0.00 N ATOM 973 CA PRO A 65 0.644 7.881 -4.743 1.00 0.00 C ATOM 974 C PRO A 65 1.909 7.131 -4.341 1.00 0.00 C ATOM 975 O PRO A 65 2.265 7.080 -3.165 1.00 0.00 O ATOM 976 CB PRO A 65 0.828 9.387 -4.535 1.00 0.00 C ATOM 977 CG PRO A 65 0.255 9.655 -3.185 1.00 0.00 C ATOM 978 CD PRO A 65 -0.879 8.684 -3.016 1.00 0.00 C ATOM 0 HA PRO A 65 0.463 7.598 -5.780 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.880 9.668 -4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.311 9.959 -5.305 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.006 9.516 -2.408 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.097 10.684 -3.108 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.991 8.374 -1.977 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.830 9.120 -3.323 1.00 0.00 H new ATOM 986 N GLY A 66 2.585 6.548 -5.327 1.00 0.00 N ATOM 987 CA GLY A 66 3.803 5.807 -5.055 1.00 0.00 C ATOM 988 C GLY A 66 4.992 6.715 -4.813 1.00 0.00 C ATOM 989 O GLY A 66 6.055 6.526 -5.400 1.00 0.00 O ATOM 0 H GLY A 66 2.311 6.576 -6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.651 5.172 -4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.019 5.147 -5.895 1.00 0.00 H new ATOM 993 N ASN A 67 4.811 7.706 -3.947 1.00 0.00 N ATOM 994 CA ASN A 67 5.877 8.650 -3.630 1.00 0.00 C ATOM 995 C ASN A 67 6.190 8.636 -2.136 1.00 0.00 C ATOM 996 O ASN A 67 7.324 8.890 -1.727 1.00 0.00 O ATOM 997 CB ASN A 67 5.483 10.062 -4.068 1.00 0.00 C ATOM 998 CG ASN A 67 5.242 10.158 -5.561 1.00 0.00 C ATOM 999 OD1 ASN A 67 4.337 9.518 -6.098 1.00 0.00 O ATOM 1000 ND2 ASN A 67 6.054 10.960 -6.241 1.00 0.00 N ATOM 0 H ASN A 67 3.936 7.877 -3.452 1.00 0.00 H new ATOM 0 HA ASN A 67 6.772 8.345 -4.173 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.581 10.366 -3.537 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.270 10.760 -3.784 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.941 11.064 -7.249 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.791 11.471 -5.755 1.00 0.00 H new ATOM 1007 N TYR A 68 5.179 8.337 -1.329 1.00 0.00 N ATOM 1008 CA TYR A 68 5.345 8.292 0.118 1.00 0.00 C ATOM 1009 C TYR A 68 5.646 6.872 0.590 1.00 0.00 C ATOM 1010 O TYR A 68 5.758 6.613 1.787 1.00 0.00 O ATOM 1011 CB TYR A 68 4.088 8.817 0.815 1.00 0.00 C ATOM 1012 CG TYR A 68 3.633 10.167 0.308 1.00 0.00 C ATOM 1013 CD1 TYR A 68 2.980 10.289 -0.913 1.00 0.00 C ATOM 1014 CD2 TYR A 68 3.859 11.321 1.048 1.00 0.00 C ATOM 1015 CE1 TYR A 68 2.564 11.520 -1.380 1.00 0.00 C ATOM 1016 CE2 TYR A 68 3.446 12.557 0.590 1.00 0.00 C ATOM 1017 CZ TYR A 68 2.798 12.651 -0.625 1.00 0.00 C ATOM 1018 OH TYR A 68 2.386 13.881 -1.087 1.00 0.00 O ATOM 0 H TYR A 68 4.236 8.122 -1.652 1.00 0.00 H new ATOM 0 HA TYR A 68 6.190 8.929 0.379 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.281 8.097 0.681 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.279 8.886 1.886 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.795 9.406 -1.507 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.367 11.250 1.999 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.058 11.597 -2.331 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.629 13.444 1.179 1.00 0.00 H new ATOM 0 HH TYR A 68 2.626 14.572 -0.436 1.00 0.00 H new ATOM 1028 N VAL A 69 5.775 5.956 -0.364 1.00 0.00 N ATOM 1029 CA VAL A 69 6.064 4.561 -0.050 1.00 0.00 C ATOM 1030 C VAL A 69 7.460 4.170 -0.521 1.00 0.00 C ATOM 1031 O VAL A 69 8.048 4.837 -1.373 1.00 0.00 O ATOM 1032 CB VAL A 69 5.033 3.616 -0.694 1.00 0.00 C ATOM 1033 CG1 VAL A 69 3.623 3.991 -0.266 1.00 0.00 C ATOM 1034 CG2 VAL A 69 5.163 3.638 -2.209 1.00 0.00 C ATOM 0 H VAL A 69 5.684 6.154 -1.360 1.00 0.00 H new ATOM 0 HA VAL A 69 6.009 4.462 1.034 1.00 0.00 H new ATOM 0 HB VAL A 69 5.233 2.601 -0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.909 3.312 -0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.540 3.917 0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.408 5.013 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.427 2.964 -2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.991 4.651 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.165 3.315 -2.493 1.00 0.00 H new ATOM 1044 N GLU A 70 7.984 3.084 0.039 1.00 0.00 N ATOM 1045 CA GLU A 70 9.313 2.605 -0.324 1.00 0.00 C ATOM 1046 C GLU A 70 9.309 1.092 -0.526 1.00 0.00 C ATOM 1047 O GLU A 70 8.909 0.338 0.362 1.00 0.00 O ATOM 1048 CB GLU A 70 10.329 2.984 0.756 1.00 0.00 C ATOM 1049 CG GLU A 70 11.772 2.899 0.289 1.00 0.00 C ATOM 1050 CD GLU A 70 12.309 1.481 0.305 1.00 0.00 C ATOM 1051 OE1 GLU A 70 12.321 0.862 1.390 1.00 0.00 O ATOM 1052 OE2 GLU A 70 12.717 0.989 -0.768 1.00 0.00 O ATOM 0 H GLU A 70 7.510 2.520 0.744 1.00 0.00 H new ATOM 0 HA GLU A 70 9.598 3.079 -1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.125 4.000 1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.195 2.328 1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.847 3.300 -0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.394 3.526 0.928 1.00 0.00 H new ATOM 1059 N SER A 71 9.756 0.657 -1.699 1.00 0.00 N ATOM 1060 CA SER A 71 9.799 -0.766 -2.020 1.00 0.00 C ATOM 1061 C SER A 71 10.650 -1.524 -1.008 1.00 0.00 C ATOM 1062 O SER A 71 11.864 -1.335 -0.933 1.00 0.00 O ATOM 1063 CB SER A 71 10.356 -0.975 -3.429 1.00 0.00 C ATOM 1064 OG SER A 71 9.507 -0.393 -4.406 1.00 0.00 O ATOM 0 H SER A 71 10.093 1.268 -2.443 1.00 0.00 H new ATOM 0 HA SER A 71 8.782 -1.155 -1.978 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.351 -0.535 -3.499 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.464 -2.042 -3.626 1.00 0.00 H new ATOM 0 HG SER A 71 9.886 -0.539 -5.298 1.00 0.00 H new ATOM 1070 N ILE A 72 10.002 -2.386 -0.229 1.00 0.00 N ATOM 1071 CA ILE A 72 10.700 -3.174 0.779 1.00 0.00 C ATOM 1072 C ILE A 72 11.382 -4.386 0.154 1.00 0.00 C ATOM 1073 O ILE A 72 12.490 -4.756 0.543 1.00 0.00 O ATOM 1074 CB ILE A 72 9.736 -3.655 1.882 1.00 0.00 C ATOM 1075 CG1 ILE A 72 8.658 -4.562 1.287 1.00 0.00 C ATOM 1076 CG2 ILE A 72 9.105 -2.465 2.590 1.00 0.00 C ATOM 1077 CD1 ILE A 72 7.745 -5.176 2.326 1.00 0.00 C ATOM 0 H ILE A 72 8.997 -2.555 -0.277 1.00 0.00 H new ATOM 0 HA ILE A 72 11.454 -2.524 1.222 1.00 0.00 H new ATOM 0 HB ILE A 72 10.303 -4.229 2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.058 -3.986 0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.138 -5.359 0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 72 8.427 -2.821 3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.886 -1.855 3.043 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.549 -1.866 1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.005 -5.807 1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.334 -5.779 3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.237 -4.385 2.877 1.00 0.00 H new ATOM 1089 N SER A 73 10.714 -4.999 -0.818 1.00 0.00 N ATOM 1090 CA SER A 73 11.256 -6.171 -1.498 1.00 0.00 C ATOM 1091 C SER A 73 12.394 -5.777 -2.435 1.00 0.00 C ATOM 1092 O SER A 73 12.391 -4.690 -3.010 1.00 0.00 O ATOM 1093 CB SER A 73 10.156 -6.884 -2.284 1.00 0.00 C ATOM 1094 OG SER A 73 10.692 -7.932 -3.074 1.00 0.00 O ATOM 0 H SER A 73 9.797 -4.704 -1.153 1.00 0.00 H new ATOM 0 HA SER A 73 11.650 -6.850 -0.742 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.414 -7.287 -1.594 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.640 -6.169 -2.924 1.00 0.00 H new ATOM 0 HG SER A 73 9.969 -8.374 -3.566 1.00 0.00 H new ATOM 1100 N GLY A 74 13.367 -6.671 -2.583 1.00 0.00 N ATOM 1101 CA GLY A 74 14.498 -6.401 -3.450 1.00 0.00 C ATOM 1102 C GLY A 74 15.665 -5.783 -2.706 1.00 0.00 C ATOM 1103 O GLY A 74 15.519 -5.265 -1.598 1.00 0.00 O ATOM 0 H GLY A 74 13.392 -7.578 -2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 74 14.822 -7.330 -3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.186 -5.731 -4.251 1.00 0.00 H new ATOM 1107 N PRO A 75 16.857 -5.834 -3.319 1.00 0.00 N ATOM 1108 CA PRO A 75 18.077 -5.281 -2.724 1.00 0.00 C ATOM 1109 C PRO A 75 18.058 -3.757 -2.674 1.00 0.00 C ATOM 1110 O PRO A 75 17.640 -3.100 -3.628 1.00 0.00 O ATOM 1111 CB PRO A 75 19.183 -5.772 -3.663 1.00 0.00 C ATOM 1112 CG PRO A 75 18.502 -5.987 -4.970 1.00 0.00 C ATOM 1113 CD PRO A 75 17.104 -6.435 -4.639 1.00 0.00 C ATOM 0 HA PRO A 75 18.206 -5.597 -1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 75 19.984 -5.037 -3.750 1.00 0.00 H new ATOM 0 HB3 PRO A 75 19.634 -6.694 -3.295 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.489 -5.070 -5.559 1.00 0.00 H new ATOM 0 HG3 PRO A 75 19.023 -6.739 -5.563 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.384 -6.087 -5.380 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.027 -7.522 -4.606 1.00 0.00 H new ATOM 1121 N SER A 76 18.513 -3.199 -1.557 1.00 0.00 N ATOM 1122 CA SER A 76 18.546 -1.752 -1.382 1.00 0.00 C ATOM 1123 C SER A 76 19.977 -1.229 -1.456 1.00 0.00 C ATOM 1124 O SER A 76 20.252 -0.239 -2.135 1.00 0.00 O ATOM 1125 CB SER A 76 17.918 -1.366 -0.041 1.00 0.00 C ATOM 1126 OG SER A 76 16.516 -1.567 -0.058 1.00 0.00 O ATOM 0 H SER A 76 18.864 -3.728 -0.759 1.00 0.00 H new ATOM 0 HA SER A 76 17.970 -1.299 -2.189 1.00 0.00 H new ATOM 0 HB2 SER A 76 18.364 -1.959 0.757 1.00 0.00 H new ATOM 0 HB3 SER A 76 18.136 -0.321 0.179 1.00 0.00 H new ATOM 0 HG SER A 76 16.139 -1.315 0.811 1.00 0.00 H new ATOM 1132 N SER A 77 20.883 -1.899 -0.753 1.00 0.00 N ATOM 1133 CA SER A 77 22.285 -1.499 -0.735 1.00 0.00 C ATOM 1134 C SER A 77 23.084 -2.269 -1.783 1.00 0.00 C ATOM 1135 O SER A 77 23.162 -3.497 -1.741 1.00 0.00 O ATOM 1136 CB SER A 77 22.887 -1.732 0.653 1.00 0.00 C ATOM 1137 OG SER A 77 22.682 -0.609 1.492 1.00 0.00 O ATOM 0 H SER A 77 20.672 -2.722 -0.188 1.00 0.00 H new ATOM 0 HA SER A 77 22.336 -0.436 -0.972 1.00 0.00 H new ATOM 0 HB2 SER A 77 22.436 -2.615 1.105 1.00 0.00 H new ATOM 0 HB3 SER A 77 23.955 -1.931 0.561 1.00 0.00 H new ATOM 0 HG SER A 77 23.074 -0.783 2.373 1.00 0.00 H new ATOM 1143 N GLY A 78 23.673 -1.538 -2.723 1.00 0.00 N ATOM 1144 CA GLY A 78 24.457 -2.168 -3.769 1.00 0.00 C ATOM 1145 C GLY A 78 25.903 -2.379 -3.364 1.00 0.00 C ATOM 1146 O GLY A 78 26.740 -1.495 -3.547 1.00 0.00 O ATOM 0 H GLY A 78 23.622 -0.521 -2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 78 24.011 -3.129 -4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 78 24.421 -1.551 -4.667 1.00 0.00 H new TER 1150 GLY A 78