USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=23 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+ 170:sc= -0.471 (180deg=-0.74) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0695 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00994 USER MOD Single : A 5 SER OG : rot 39:sc= 0.974 USER MOD Single : A 6 SER OG : rot 180:sc= 0 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 180:sc= 0 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+ -168:sc= -0.0142 (180deg=-0.148) USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= -0.583 (180deg=-1.05!) USER MOD Single : A 48 ASN :FLIP amide:sc= -2.46! C(o=-4.5!,f=-2.5!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.91 K(o=-2.9,f=-5.5!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.8!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 26:sc= 0.757 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= 0.00172 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.779 -14.040 0.486 1.00 0.00 N ATOM 2 CA GLY A 1 12.558 -14.715 0.886 1.00 0.00 C ATOM 3 C GLY A 1 12.585 -16.199 0.575 1.00 0.00 C ATOM 4 O GLY A 1 13.429 -16.663 -0.192 1.00 0.00 O ATOM 0 H1 GLY A 1 14.252 -13.652 1.327 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.412 -14.717 0.014 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.549 -13.267 -0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.403 -14.574 1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.710 -14.256 0.378 1.00 0.00 H new ATOM 8 N SER A 2 11.662 -16.944 1.172 1.00 0.00 N ATOM 9 CA SER A 2 11.588 -18.386 0.961 1.00 0.00 C ATOM 10 C SER A 2 10.313 -18.959 1.571 1.00 0.00 C ATOM 11 O SER A 2 9.545 -18.245 2.214 1.00 0.00 O ATOM 12 CB SER A 2 12.812 -19.074 1.564 1.00 0.00 C ATOM 13 OG SER A 2 12.977 -20.378 1.034 1.00 0.00 O ATOM 0 H SER A 2 10.954 -16.574 1.806 1.00 0.00 H new ATOM 0 HA SER A 2 11.570 -18.572 -0.113 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.703 -18.480 1.361 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.705 -19.129 2.647 1.00 0.00 H new ATOM 0 HG SER A 2 13.768 -20.796 1.434 1.00 0.00 H new ATOM 19 N SER A 3 10.097 -20.254 1.364 1.00 0.00 N ATOM 20 CA SER A 3 8.914 -20.925 1.891 1.00 0.00 C ATOM 21 C SER A 3 8.949 -20.971 3.415 1.00 0.00 C ATOM 22 O SER A 3 9.946 -20.603 4.036 1.00 0.00 O ATOM 23 CB SER A 3 8.814 -22.344 1.329 1.00 0.00 C ATOM 24 OG SER A 3 7.514 -22.876 1.514 1.00 0.00 O ATOM 0 H SER A 3 10.725 -20.859 0.835 1.00 0.00 H new ATOM 0 HA SER A 3 8.037 -20.357 1.582 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.059 -22.336 0.267 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.546 -22.985 1.820 1.00 0.00 H new ATOM 0 HG SER A 3 7.476 -23.783 1.145 1.00 0.00 H new ATOM 30 N GLY A 4 7.850 -21.423 4.013 1.00 0.00 N ATOM 31 CA GLY A 4 7.775 -21.509 5.459 1.00 0.00 C ATOM 32 C GLY A 4 6.647 -20.673 6.032 1.00 0.00 C ATOM 33 O GLY A 4 5.686 -21.210 6.584 1.00 0.00 O ATOM 0 H GLY A 4 7.011 -21.731 3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.636 -22.550 5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.721 -21.181 5.889 1.00 0.00 H new ATOM 37 N SER A 5 6.764 -19.356 5.902 1.00 0.00 N ATOM 38 CA SER A 5 5.749 -18.443 6.415 1.00 0.00 C ATOM 39 C SER A 5 5.921 -17.049 5.818 1.00 0.00 C ATOM 40 O SER A 5 6.891 -16.780 5.110 1.00 0.00 O ATOM 41 CB SER A 5 5.822 -18.372 7.941 1.00 0.00 C ATOM 42 OG SER A 5 5.019 -19.376 8.537 1.00 0.00 O ATOM 0 H SER A 5 7.552 -18.897 5.446 1.00 0.00 H new ATOM 0 HA SER A 5 4.770 -18.824 6.124 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.856 -18.489 8.265 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.492 -17.390 8.279 1.00 0.00 H new ATOM 0 HG SER A 5 5.087 -20.202 8.015 1.00 0.00 H new ATOM 48 N SER A 6 4.973 -16.166 6.114 1.00 0.00 N ATOM 49 CA SER A 6 5.015 -14.799 5.606 1.00 0.00 C ATOM 50 C SER A 6 4.807 -13.795 6.734 1.00 0.00 C ATOM 51 O SER A 6 5.518 -12.795 6.829 1.00 0.00 O ATOM 52 CB SER A 6 3.950 -14.601 4.528 1.00 0.00 C ATOM 53 OG SER A 6 4.171 -15.466 3.426 1.00 0.00 O ATOM 0 H SER A 6 4.166 -16.372 6.703 1.00 0.00 H new ATOM 0 HA SER A 6 5.999 -14.629 5.169 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.962 -14.789 4.949 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.960 -13.565 4.189 1.00 0.00 H new ATOM 0 HG SER A 6 3.475 -15.321 2.751 1.00 0.00 H new ATOM 59 N GLY A 7 3.825 -14.067 7.589 1.00 0.00 N ATOM 60 CA GLY A 7 3.538 -13.177 8.699 1.00 0.00 C ATOM 61 C GLY A 7 2.722 -11.972 8.280 1.00 0.00 C ATOM 62 O GLY A 7 3.272 -10.910 7.989 1.00 0.00 O ATOM 0 H GLY A 7 3.223 -14.888 7.532 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.999 -13.726 9.471 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.475 -12.841 9.143 1.00 0.00 H new ATOM 66 N ASP A 8 1.403 -12.134 8.249 1.00 0.00 N ATOM 67 CA ASP A 8 0.508 -11.050 7.862 1.00 0.00 C ATOM 68 C ASP A 8 -0.861 -11.218 8.513 1.00 0.00 C ATOM 69 O ASP A 8 -1.318 -12.330 8.779 1.00 0.00 O ATOM 70 CB ASP A 8 0.360 -11.001 6.340 1.00 0.00 C ATOM 71 CG ASP A 8 0.385 -12.380 5.711 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.326 -13.147 5.998 1.00 0.00 O ATOM 73 OD2 ASP A 8 -0.540 -12.691 4.931 1.00 0.00 O ATOM 0 H ASP A 8 0.930 -13.006 8.487 1.00 0.00 H new ATOM 0 HA ASP A 8 0.942 -10.112 8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.577 -10.505 6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.165 -10.398 5.919 1.00 0.00 H new ATOM 78 N PRO A 9 -1.533 -10.088 8.777 1.00 0.00 N ATOM 79 CA PRO A 9 -2.861 -10.083 9.401 1.00 0.00 C ATOM 80 C PRO A 9 -3.940 -10.625 8.469 1.00 0.00 C ATOM 81 O PRO A 9 -3.730 -10.797 7.269 1.00 0.00 O ATOM 82 CB PRO A 9 -3.106 -8.603 9.702 1.00 0.00 C ATOM 83 CG PRO A 9 -2.266 -7.871 8.711 1.00 0.00 C ATOM 84 CD PRO A 9 -1.051 -8.728 8.486 1.00 0.00 C ATOM 0 HA PRO A 9 -2.900 -10.722 10.283 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.160 -8.346 9.594 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.820 -8.354 10.724 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.810 -7.712 7.780 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.986 -6.887 9.088 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.683 -8.643 7.464 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.231 -8.443 9.145 1.00 0.00 H new ATOM 92 N PRO A 10 -5.126 -10.899 9.033 1.00 0.00 N ATOM 93 CA PRO A 10 -6.263 -11.424 8.272 1.00 0.00 C ATOM 94 C PRO A 10 -6.847 -10.390 7.316 1.00 0.00 C ATOM 95 O PRO A 10 -7.139 -10.693 6.159 1.00 0.00 O ATOM 96 CB PRO A 10 -7.281 -11.786 9.357 1.00 0.00 C ATOM 97 CG PRO A 10 -6.940 -10.901 10.505 1.00 0.00 C ATOM 98 CD PRO A 10 -5.448 -10.720 10.460 1.00 0.00 C ATOM 0 HA PRO A 10 -5.977 -12.265 7.640 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.302 -11.616 9.015 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.209 -12.838 9.633 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.452 -9.942 10.424 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.250 -11.349 11.449 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.152 -9.734 10.818 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.935 -11.453 11.083 1.00 0.00 H new ATOM 106 N TRP A 11 -7.015 -9.166 7.807 1.00 0.00 N ATOM 107 CA TRP A 11 -7.564 -8.087 6.995 1.00 0.00 C ATOM 108 C TRP A 11 -6.743 -7.887 5.726 1.00 0.00 C ATOM 109 O TRP A 11 -7.199 -7.253 4.775 1.00 0.00 O ATOM 110 CB TRP A 11 -7.607 -6.787 7.800 1.00 0.00 C ATOM 111 CG TRP A 11 -6.257 -6.338 8.273 1.00 0.00 C ATOM 112 CD1 TRP A 11 -5.768 -6.413 9.545 1.00 0.00 C ATOM 113 CD2 TRP A 11 -5.226 -5.741 7.479 1.00 0.00 C ATOM 114 NE1 TRP A 11 -4.494 -5.899 9.590 1.00 0.00 N ATOM 115 CE2 TRP A 11 -4.139 -5.481 8.335 1.00 0.00 C ATOM 116 CE3 TRP A 11 -5.114 -5.403 6.127 1.00 0.00 C ATOM 117 CZ2 TRP A 11 -2.957 -4.899 7.883 1.00 0.00 C ATOM 118 CZ3 TRP A 11 -3.942 -4.825 5.679 1.00 0.00 C ATOM 119 CH2 TRP A 11 -2.875 -4.578 6.555 1.00 0.00 C ATOM 0 H TRP A 11 -6.779 -8.897 8.762 1.00 0.00 H new ATOM 0 HA TRP A 11 -8.579 -8.363 6.708 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.049 -6.002 7.186 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.260 -6.923 8.662 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.303 -6.817 10.392 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -3.908 -5.839 10.423 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -5.930 -5.591 5.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.135 -4.708 8.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.846 -4.559 4.637 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.971 -4.126 6.174 1.00 0.00 H new ATOM 130 N ALA A 12 -5.532 -8.432 5.719 1.00 0.00 N ATOM 131 CA ALA A 12 -4.648 -8.315 4.565 1.00 0.00 C ATOM 132 C ALA A 12 -5.148 -9.165 3.402 1.00 0.00 C ATOM 133 O ALA A 12 -5.694 -10.254 3.585 1.00 0.00 O ATOM 134 CB ALA A 12 -3.230 -8.719 4.943 1.00 0.00 C ATOM 0 H ALA A 12 -5.140 -8.959 6.499 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.645 -7.273 4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.581 -8.627 4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.866 -8.068 5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.226 -9.752 5.290 1.00 0.00 H new ATOM 140 N PRO A 13 -4.964 -8.657 2.175 1.00 0.00 N ATOM 141 CA PRO A 13 -5.391 -9.352 0.957 1.00 0.00 C ATOM 142 C PRO A 13 -4.552 -10.595 0.675 1.00 0.00 C ATOM 143 O PRO A 13 -3.324 -10.529 0.634 1.00 0.00 O ATOM 144 CB PRO A 13 -5.181 -8.306 -0.141 1.00 0.00 C ATOM 145 CG PRO A 13 -4.121 -7.404 0.391 1.00 0.00 C ATOM 146 CD PRO A 13 -4.322 -7.363 1.881 1.00 0.00 C ATOM 0 HA PRO A 13 -6.417 -9.712 1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.871 -8.771 -1.077 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.101 -7.758 -0.346 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.128 -7.779 0.141 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.204 -6.407 -0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.376 -7.254 2.411 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.952 -6.525 2.179 1.00 0.00 H new ATOM 154 N ARG A 14 -5.224 -11.724 0.483 1.00 0.00 N ATOM 155 CA ARG A 14 -4.541 -12.982 0.206 1.00 0.00 C ATOM 156 C ARG A 14 -3.627 -12.848 -1.009 1.00 0.00 C ATOM 157 O ARG A 14 -2.517 -13.380 -1.024 1.00 0.00 O ATOM 158 CB ARG A 14 -5.559 -14.099 -0.030 1.00 0.00 C ATOM 159 CG ARG A 14 -5.062 -15.475 0.384 1.00 0.00 C ATOM 160 CD ARG A 14 -5.892 -16.581 -0.247 1.00 0.00 C ATOM 161 NE ARG A 14 -7.198 -16.718 0.394 1.00 0.00 N ATOM 162 CZ ARG A 14 -8.031 -17.724 0.155 1.00 0.00 C ATOM 163 NH1 ARG A 14 -7.697 -18.677 -0.705 1.00 0.00 N ATOM 164 NH2 ARG A 14 -9.202 -17.780 0.777 1.00 0.00 N ATOM 0 H ARG A 14 -6.241 -11.794 0.514 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.931 -13.233 1.073 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.471 -13.870 0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.823 -14.121 -1.087 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.019 -15.589 0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.100 -15.565 1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.029 -16.371 -1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.352 -17.525 -0.176 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.485 -16.002 1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.798 -18.638 -1.185 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.339 -19.448 -0.886 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.463 -17.050 1.440 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.841 -18.553 0.592 1.00 0.00 H new ATOM 178 N SER A 15 -4.101 -12.134 -2.024 1.00 0.00 N ATOM 179 CA SER A 15 -3.329 -11.934 -3.245 1.00 0.00 C ATOM 180 C SER A 15 -3.020 -10.455 -3.454 1.00 0.00 C ATOM 181 O SER A 15 -3.909 -9.607 -3.391 1.00 0.00 O ATOM 182 CB SER A 15 -4.092 -12.482 -4.452 1.00 0.00 C ATOM 183 OG SER A 15 -3.233 -12.647 -5.565 1.00 0.00 O ATOM 0 H SER A 15 -5.016 -11.684 -2.025 1.00 0.00 H new ATOM 0 HA SER A 15 -2.388 -12.475 -3.144 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.547 -13.438 -4.195 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.904 -11.803 -4.712 1.00 0.00 H new ATOM 0 HG SER A 15 -3.744 -13.000 -6.323 1.00 0.00 H new ATOM 189 N TYR A 16 -1.750 -10.153 -3.705 1.00 0.00 N ATOM 190 CA TYR A 16 -1.321 -8.777 -3.922 1.00 0.00 C ATOM 191 C TYR A 16 -0.030 -8.730 -4.734 1.00 0.00 C ATOM 192 O TYR A 16 0.870 -9.549 -4.540 1.00 0.00 O ATOM 193 CB TYR A 16 -1.119 -8.067 -2.583 1.00 0.00 C ATOM 194 CG TYR A 16 -0.045 -8.691 -1.722 1.00 0.00 C ATOM 195 CD1 TYR A 16 1.297 -8.588 -2.068 1.00 0.00 C ATOM 196 CD2 TYR A 16 -0.371 -9.381 -0.562 1.00 0.00 C ATOM 197 CE1 TYR A 16 2.283 -9.158 -1.285 1.00 0.00 C ATOM 198 CE2 TYR A 16 0.608 -9.953 0.229 1.00 0.00 C ATOM 199 CZ TYR A 16 1.933 -9.839 -0.136 1.00 0.00 C ATOM 200 OH TYR A 16 2.912 -10.406 0.647 1.00 0.00 O ATOM 0 H TYR A 16 -1.001 -10.843 -3.763 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.102 -8.265 -4.484 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.863 -7.024 -2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.061 -8.071 -2.034 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.574 -8.053 -2.964 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.407 -9.472 -0.273 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.321 -9.071 -1.570 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.337 -10.486 1.128 1.00 0.00 H new ATOM 0 HH TYR A 16 2.499 -10.847 1.419 1.00 0.00 H new ATOM 210 N LEU A 17 0.054 -7.768 -5.646 1.00 0.00 N ATOM 211 CA LEU A 17 1.235 -7.613 -6.488 1.00 0.00 C ATOM 212 C LEU A 17 2.507 -7.610 -5.647 1.00 0.00 C ATOM 213 O LEU A 17 3.309 -8.541 -5.718 1.00 0.00 O ATOM 214 CB LEU A 17 1.142 -6.317 -7.296 1.00 0.00 C ATOM 215 CG LEU A 17 0.333 -6.390 -8.592 1.00 0.00 C ATOM 216 CD1 LEU A 17 -1.127 -6.056 -8.328 1.00 0.00 C ATOM 217 CD2 LEU A 17 0.915 -5.453 -9.638 1.00 0.00 C ATOM 0 H LEU A 17 -0.682 -7.084 -5.821 1.00 0.00 H new ATOM 0 HA LEU A 17 1.276 -8.460 -7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.704 -5.547 -6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.153 -5.991 -7.540 1.00 0.00 H new ATOM 0 HG LEU A 17 0.389 -7.409 -8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.688 -6.113 -9.261 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.539 -6.768 -7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.202 -5.048 -7.921 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.326 -5.519 -10.553 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.891 -4.430 -9.264 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.946 -5.738 -9.848 1.00 0.00 H new ATOM 229 N GLU A 18 2.684 -6.560 -4.851 1.00 0.00 N ATOM 230 CA GLU A 18 3.858 -6.439 -3.996 1.00 0.00 C ATOM 231 C GLU A 18 3.511 -5.729 -2.692 1.00 0.00 C ATOM 232 O GLU A 18 2.385 -5.268 -2.503 1.00 0.00 O ATOM 233 CB GLU A 18 4.971 -5.680 -4.724 1.00 0.00 C ATOM 234 CG GLU A 18 4.578 -4.269 -5.129 1.00 0.00 C ATOM 235 CD GLU A 18 5.650 -3.579 -5.951 1.00 0.00 C ATOM 236 OE1 GLU A 18 6.650 -3.120 -5.361 1.00 0.00 O ATOM 237 OE2 GLU A 18 5.489 -3.498 -7.188 1.00 0.00 O ATOM 0 H GLU A 18 2.029 -5.781 -4.781 1.00 0.00 H new ATOM 0 HA GLU A 18 4.208 -7.444 -3.759 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.849 -5.633 -4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.258 -6.239 -5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.652 -4.304 -5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.377 -3.681 -4.234 1.00 0.00 H new ATOM 244 N LYS A 19 4.486 -5.641 -1.794 1.00 0.00 N ATOM 245 CA LYS A 19 4.287 -4.986 -0.506 1.00 0.00 C ATOM 246 C LYS A 19 5.182 -3.758 -0.376 1.00 0.00 C ATOM 247 O LYS A 19 6.395 -3.839 -0.563 1.00 0.00 O ATOM 248 CB LYS A 19 4.574 -5.962 0.636 1.00 0.00 C ATOM 249 CG LYS A 19 4.365 -5.364 2.016 1.00 0.00 C ATOM 250 CD LYS A 19 5.268 -6.017 3.049 1.00 0.00 C ATOM 251 CE LYS A 19 4.596 -7.220 3.694 1.00 0.00 C ATOM 252 NZ LYS A 19 4.630 -8.415 2.807 1.00 0.00 N ATOM 0 H LYS A 19 5.424 -6.016 -1.935 1.00 0.00 H new ATOM 0 HA LYS A 19 3.247 -4.664 -0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.931 -6.835 0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.603 -6.312 0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.563 -4.293 1.983 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.323 -5.486 2.313 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.199 -6.329 2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.530 -5.289 3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.093 -7.452 4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.561 -6.974 3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.319 -9.252 3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.995 -8.264 1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.600 -8.565 2.463 1.00 0.00 H new ATOM 266 N VAL A 20 4.573 -2.620 -0.055 1.00 0.00 N ATOM 267 CA VAL A 20 5.315 -1.375 0.102 1.00 0.00 C ATOM 268 C VAL A 20 5.129 -0.798 1.502 1.00 0.00 C ATOM 269 O VAL A 20 4.170 -1.130 2.199 1.00 0.00 O ATOM 270 CB VAL A 20 4.878 -0.325 -0.936 1.00 0.00 C ATOM 271 CG1 VAL A 20 5.225 -0.789 -2.343 1.00 0.00 C ATOM 272 CG2 VAL A 20 3.388 -0.042 -0.811 1.00 0.00 C ATOM 0 H VAL A 20 3.569 -2.535 0.101 1.00 0.00 H new ATOM 0 HA VAL A 20 6.367 -1.612 -0.054 1.00 0.00 H new ATOM 0 HB VAL A 20 5.418 0.601 -0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.909 -0.034 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.302 -0.937 -2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.713 -1.728 -2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.096 0.702 -1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.828 -0.962 -0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.172 0.336 0.188 1.00 0.00 H new ATOM 282 N VAL A 21 6.052 0.068 1.905 1.00 0.00 N ATOM 283 CA VAL A 21 5.990 0.694 3.222 1.00 0.00 C ATOM 284 C VAL A 21 5.895 2.211 3.105 1.00 0.00 C ATOM 285 O VAL A 21 6.502 2.815 2.220 1.00 0.00 O ATOM 286 CB VAL A 21 7.221 0.332 4.074 1.00 0.00 C ATOM 287 CG1 VAL A 21 8.476 0.971 3.500 1.00 0.00 C ATOM 288 CG2 VAL A 21 7.010 0.756 5.520 1.00 0.00 C ATOM 0 H VAL A 21 6.852 0.353 1.340 1.00 0.00 H new ATOM 0 HA VAL A 21 5.094 0.313 3.712 1.00 0.00 H new ATOM 0 HB VAL A 21 7.352 -0.750 4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.335 0.704 4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.634 0.613 2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.360 2.055 3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.889 0.493 6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.853 1.834 5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.136 0.245 5.925 1.00 0.00 H new ATOM 298 N ALA A 22 5.129 2.821 4.004 1.00 0.00 N ATOM 299 CA ALA A 22 4.956 4.269 4.003 1.00 0.00 C ATOM 300 C ALA A 22 6.154 4.965 4.639 1.00 0.00 C ATOM 301 O ALA A 22 6.413 4.809 5.833 1.00 0.00 O ATOM 302 CB ALA A 22 3.675 4.648 4.731 1.00 0.00 C ATOM 0 H ALA A 22 4.619 2.335 4.742 1.00 0.00 H new ATOM 0 HA ALA A 22 4.884 4.601 2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.559 5.732 4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.823 4.188 4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.725 4.297 5.762 1.00 0.00 H new ATOM 308 N ILE A 23 6.883 5.732 3.835 1.00 0.00 N ATOM 309 CA ILE A 23 8.054 6.453 4.321 1.00 0.00 C ATOM 310 C ILE A 23 7.686 7.867 4.757 1.00 0.00 C ATOM 311 O ILE A 23 8.498 8.572 5.357 1.00 0.00 O ATOM 312 CB ILE A 23 9.153 6.529 3.245 1.00 0.00 C ATOM 313 CG1 ILE A 23 8.605 7.171 1.969 1.00 0.00 C ATOM 314 CG2 ILE A 23 9.704 5.141 2.952 1.00 0.00 C ATOM 315 CD1 ILE A 23 9.651 7.365 0.894 1.00 0.00 C ATOM 0 H ILE A 23 6.684 5.870 2.844 1.00 0.00 H new ATOM 0 HA ILE A 23 8.434 5.898 5.179 1.00 0.00 H new ATOM 0 HB ILE A 23 9.966 7.150 3.621 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.801 6.549 1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.167 8.138 2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.480 5.211 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.128 4.718 3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.900 4.499 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.192 7.825 0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.444 8.012 1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.072 6.398 0.618 1.00 0.00 H new ATOM 327 N TYR A 24 6.458 8.274 4.456 1.00 0.00 N ATOM 328 CA TYR A 24 5.984 9.604 4.817 1.00 0.00 C ATOM 329 C TYR A 24 4.486 9.588 5.109 1.00 0.00 C ATOM 330 O TYR A 24 3.766 8.694 4.662 1.00 0.00 O ATOM 331 CB TYR A 24 6.286 10.599 3.696 1.00 0.00 C ATOM 332 CG TYR A 24 7.764 10.810 3.456 1.00 0.00 C ATOM 333 CD1 TYR A 24 8.583 11.322 4.455 1.00 0.00 C ATOM 334 CD2 TYR A 24 8.342 10.500 2.231 1.00 0.00 C ATOM 335 CE1 TYR A 24 9.933 11.519 4.241 1.00 0.00 C ATOM 336 CE2 TYR A 24 9.691 10.692 2.008 1.00 0.00 C ATOM 337 CZ TYR A 24 10.483 11.202 3.016 1.00 0.00 C ATOM 338 OH TYR A 24 11.827 11.396 2.797 1.00 0.00 O ATOM 0 H TYR A 24 5.773 7.702 3.963 1.00 0.00 H new ATOM 0 HA TYR A 24 6.509 9.916 5.720 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.823 10.246 2.774 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.825 11.557 3.938 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.156 11.570 5.416 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.725 10.102 1.439 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.555 11.919 5.028 1.00 0.00 H new ATOM 0 HE2 TYR A 24 10.124 10.444 1.050 1.00 0.00 H new ATOM 0 HH TYR A 24 12.053 11.121 1.884 1.00 0.00 H new ATOM 348 N ASP A 25 4.025 10.582 5.859 1.00 0.00 N ATOM 349 CA ASP A 25 2.614 10.685 6.209 1.00 0.00 C ATOM 350 C ASP A 25 1.818 11.329 5.077 1.00 0.00 C ATOM 351 O ASP A 25 2.180 12.397 4.580 1.00 0.00 O ATOM 352 CB ASP A 25 2.442 11.494 7.494 1.00 0.00 C ATOM 353 CG ASP A 25 3.370 12.693 7.552 1.00 0.00 C ATOM 354 OD1 ASP A 25 3.728 13.218 6.477 1.00 0.00 O ATOM 355 OD2 ASP A 25 3.739 13.105 8.672 1.00 0.00 O ATOM 0 H ASP A 25 4.609 11.329 6.237 1.00 0.00 H new ATOM 0 HA ASP A 25 2.232 9.677 6.370 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.409 11.834 7.571 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.631 10.850 8.353 1.00 0.00 H new ATOM 360 N TYR A 26 0.736 10.674 4.675 1.00 0.00 N ATOM 361 CA TYR A 26 -0.109 11.181 3.598 1.00 0.00 C ATOM 362 C TYR A 26 -1.586 11.070 3.966 1.00 0.00 C ATOM 363 O TYR A 26 -2.055 10.011 4.387 1.00 0.00 O ATOM 364 CB TYR A 26 0.165 10.415 2.303 1.00 0.00 C ATOM 365 CG TYR A 26 -0.584 10.961 1.108 1.00 0.00 C ATOM 366 CD1 TYR A 26 -0.133 12.092 0.438 1.00 0.00 C ATOM 367 CD2 TYR A 26 -1.741 10.344 0.648 1.00 0.00 C ATOM 368 CE1 TYR A 26 -0.815 12.594 -0.653 1.00 0.00 C ATOM 369 CE2 TYR A 26 -2.428 10.838 -0.444 1.00 0.00 C ATOM 370 CZ TYR A 26 -1.961 11.964 -1.091 1.00 0.00 C ATOM 371 OH TYR A 26 -2.642 12.460 -2.178 1.00 0.00 O ATOM 0 H TYR A 26 0.422 9.791 5.077 1.00 0.00 H new ATOM 0 HA TYR A 26 0.131 12.234 3.447 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.234 10.441 2.094 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.106 9.369 2.445 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.766 12.587 0.776 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.109 9.463 1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.453 13.476 -1.161 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.325 10.346 -0.789 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.426 11.900 -2.357 1.00 0.00 H new ATOM 381 N THR A 27 -2.313 12.169 3.804 1.00 0.00 N ATOM 382 CA THR A 27 -3.736 12.198 4.119 1.00 0.00 C ATOM 383 C THR A 27 -4.580 12.233 2.849 1.00 0.00 C ATOM 384 O THR A 27 -4.686 13.268 2.191 1.00 0.00 O ATOM 385 CB THR A 27 -4.095 13.414 4.993 1.00 0.00 C ATOM 386 OG1 THR A 27 -3.324 13.393 6.200 1.00 0.00 O ATOM 387 CG2 THR A 27 -5.578 13.419 5.332 1.00 0.00 C ATOM 0 H THR A 27 -1.940 13.052 3.456 1.00 0.00 H new ATOM 0 HA THR A 27 -3.954 11.285 4.673 1.00 0.00 H new ATOM 0 HB THR A 27 -3.865 14.319 4.430 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.556 14.170 6.750 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.807 14.287 5.950 1.00 0.00 H new ATOM 0 HG22 THR A 27 -6.161 13.464 4.412 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.830 12.509 5.877 1.00 0.00 H new ATOM 395 N LYS A 28 -5.179 11.095 2.511 1.00 0.00 N ATOM 396 CA LYS A 28 -6.015 10.996 1.321 1.00 0.00 C ATOM 397 C LYS A 28 -6.810 12.279 1.105 1.00 0.00 C ATOM 398 O LYS A 28 -7.572 12.703 1.975 1.00 0.00 O ATOM 399 CB LYS A 28 -6.969 9.805 1.443 1.00 0.00 C ATOM 400 CG LYS A 28 -7.762 9.792 2.737 1.00 0.00 C ATOM 401 CD LYS A 28 -8.950 8.848 2.654 1.00 0.00 C ATOM 402 CE LYS A 28 -10.030 9.220 3.658 1.00 0.00 C ATOM 403 NZ LYS A 28 -9.630 8.881 5.053 1.00 0.00 N ATOM 0 H LYS A 28 -5.101 10.229 3.045 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.363 10.846 0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.662 9.818 0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.395 8.881 1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.113 9.490 3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.112 10.800 2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.365 8.872 1.646 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.618 7.826 2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.238 10.288 3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.954 8.698 3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.392 9.150 5.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.456 7.858 5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.762 9.398 5.301 1.00 0.00 H new ATOM 417 N ASP A 29 -6.629 12.894 -0.058 1.00 0.00 N ATOM 418 CA ASP A 29 -7.331 14.129 -0.388 1.00 0.00 C ATOM 419 C ASP A 29 -8.743 13.833 -0.886 1.00 0.00 C ATOM 420 O ASP A 29 -9.553 14.743 -1.066 1.00 0.00 O ATOM 421 CB ASP A 29 -6.557 14.913 -1.451 1.00 0.00 C ATOM 422 CG ASP A 29 -7.185 16.260 -1.746 1.00 0.00 C ATOM 423 OD1 ASP A 29 -7.748 16.872 -0.813 1.00 0.00 O ATOM 424 OD2 ASP A 29 -7.111 16.707 -2.909 1.00 0.00 O ATOM 0 H ASP A 29 -6.002 12.558 -0.789 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.401 14.732 0.518 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.530 15.059 -1.115 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.511 14.327 -2.369 1.00 0.00 H new ATOM 429 N LYS A 30 -9.032 12.556 -1.107 1.00 0.00 N ATOM 430 CA LYS A 30 -10.346 12.139 -1.583 1.00 0.00 C ATOM 431 C LYS A 30 -10.846 10.925 -0.807 1.00 0.00 C ATOM 432 O LYS A 30 -10.206 10.479 0.145 1.00 0.00 O ATOM 433 CB LYS A 30 -10.290 11.816 -3.077 1.00 0.00 C ATOM 434 CG LYS A 30 -9.687 12.927 -3.919 1.00 0.00 C ATOM 435 CD LYS A 30 -10.684 14.049 -4.156 1.00 0.00 C ATOM 436 CE LYS A 30 -10.409 14.772 -5.466 1.00 0.00 C ATOM 437 NZ LYS A 30 -9.442 15.889 -5.291 1.00 0.00 N ATOM 0 H LYS A 30 -8.373 11.790 -0.964 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.042 12.962 -1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.708 10.906 -3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.299 11.609 -3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.803 13.324 -3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.359 12.522 -4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.695 13.642 -4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.637 14.759 -3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.017 14.064 -6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.344 15.161 -5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.282 16.356 -6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.826 16.578 -4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.541 15.515 -4.931 1.00 0.00 H new ATOM 451 N GLU A 31 -11.991 10.393 -1.222 1.00 0.00 N ATOM 452 CA GLU A 31 -12.575 9.229 -0.567 1.00 0.00 C ATOM 453 C GLU A 31 -12.024 7.936 -1.160 1.00 0.00 C ATOM 454 O GLU A 31 -12.146 6.865 -0.564 1.00 0.00 O ATOM 455 CB GLU A 31 -14.099 9.255 -0.696 1.00 0.00 C ATOM 456 CG GLU A 31 -14.588 9.231 -2.134 1.00 0.00 C ATOM 457 CD GLU A 31 -16.083 9.000 -2.239 1.00 0.00 C ATOM 458 OE1 GLU A 31 -16.845 9.980 -2.106 1.00 0.00 O ATOM 459 OE2 GLU A 31 -16.491 7.840 -2.452 1.00 0.00 O ATOM 0 H GLU A 31 -12.533 10.750 -2.009 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.307 9.266 0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.515 8.399 -0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.482 10.150 -0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.336 10.176 -2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.064 8.446 -2.679 1.00 0.00 H new ATOM 466 N ASP A 32 -11.419 8.044 -2.338 1.00 0.00 N ATOM 467 CA ASP A 32 -10.849 6.883 -3.014 1.00 0.00 C ATOM 468 C ASP A 32 -9.403 6.659 -2.581 1.00 0.00 C ATOM 469 O ASP A 32 -8.878 5.552 -2.692 1.00 0.00 O ATOM 470 CB ASP A 32 -10.918 7.066 -4.530 1.00 0.00 C ATOM 471 CG ASP A 32 -12.307 6.813 -5.082 1.00 0.00 C ATOM 472 OD1 ASP A 32 -12.975 5.876 -4.598 1.00 0.00 O ATOM 473 OD2 ASP A 32 -12.726 7.552 -5.997 1.00 0.00 O ATOM 0 H ASP A 32 -11.310 8.923 -2.845 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.433 6.006 -2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.608 8.079 -4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.211 6.387 -5.007 1.00 0.00 H new ATOM 478 N GLU A 33 -8.767 7.717 -2.088 1.00 0.00 N ATOM 479 CA GLU A 33 -7.381 7.634 -1.640 1.00 0.00 C ATOM 480 C GLU A 33 -7.293 6.990 -0.261 1.00 0.00 C ATOM 481 O GLU A 33 -8.300 6.841 0.435 1.00 0.00 O ATOM 482 CB GLU A 33 -6.750 9.028 -1.605 1.00 0.00 C ATOM 483 CG GLU A 33 -6.089 9.430 -2.912 1.00 0.00 C ATOM 484 CD GLU A 33 -7.028 9.323 -4.098 1.00 0.00 C ATOM 485 OE1 GLU A 33 -7.146 8.216 -4.664 1.00 0.00 O ATOM 486 OE2 GLU A 33 -7.645 10.347 -4.461 1.00 0.00 O ATOM 0 H GLU A 33 -9.188 8.641 -1.989 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.833 7.012 -2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.519 9.759 -1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.008 9.062 -0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.727 10.455 -2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.219 8.797 -3.084 1.00 0.00 H new ATOM 493 N LEU A 34 -6.083 6.606 0.131 1.00 0.00 N ATOM 494 CA LEU A 34 -5.861 5.976 1.428 1.00 0.00 C ATOM 495 C LEU A 34 -4.895 6.798 2.274 1.00 0.00 C ATOM 496 O LEU A 34 -3.858 7.248 1.789 1.00 0.00 O ATOM 497 CB LEU A 34 -5.316 4.559 1.241 1.00 0.00 C ATOM 498 CG LEU A 34 -5.682 3.550 2.331 1.00 0.00 C ATOM 499 CD1 LEU A 34 -5.384 2.132 1.868 1.00 0.00 C ATOM 500 CD2 LEU A 34 -4.932 3.861 3.619 1.00 0.00 C ATOM 0 H LEU A 34 -5.240 6.720 -0.431 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.817 5.925 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.674 4.177 0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.229 4.615 1.175 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.751 3.629 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.651 1.428 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.966 1.912 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.322 2.039 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.204 3.133 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.859 3.811 3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.195 4.862 3.961 1.00 0.00 H new ATOM 512 N SER A 35 -5.241 6.987 3.542 1.00 0.00 N ATOM 513 CA SER A 35 -4.406 7.754 4.458 1.00 0.00 C ATOM 514 C SER A 35 -3.571 6.829 5.338 1.00 0.00 C ATOM 515 O SER A 35 -4.017 5.746 5.718 1.00 0.00 O ATOM 516 CB SER A 35 -5.270 8.665 5.331 1.00 0.00 C ATOM 517 OG SER A 35 -4.667 8.885 6.594 1.00 0.00 O ATOM 0 H SER A 35 -6.096 6.619 3.960 1.00 0.00 H new ATOM 0 HA SER A 35 -3.730 8.369 3.864 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.422 9.619 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.254 8.216 5.468 1.00 0.00 H new ATOM 0 HG SER A 35 -5.239 9.472 7.132 1.00 0.00 H new ATOM 523 N PHE A 36 -2.357 7.265 5.659 1.00 0.00 N ATOM 524 CA PHE A 36 -1.459 6.476 6.494 1.00 0.00 C ATOM 525 C PHE A 36 -0.308 7.332 7.015 1.00 0.00 C ATOM 526 O PHE A 36 -0.023 8.400 6.475 1.00 0.00 O ATOM 527 CB PHE A 36 -0.907 5.287 5.705 1.00 0.00 C ATOM 528 CG PHE A 36 -0.392 5.657 4.344 1.00 0.00 C ATOM 529 CD1 PHE A 36 0.924 6.059 4.172 1.00 0.00 C ATOM 530 CD2 PHE A 36 -1.221 5.604 3.236 1.00 0.00 C ATOM 531 CE1 PHE A 36 1.400 6.402 2.921 1.00 0.00 C ATOM 532 CE2 PHE A 36 -0.750 5.944 1.983 1.00 0.00 C ATOM 533 CZ PHE A 36 0.563 6.343 1.825 1.00 0.00 C ATOM 0 H PHE A 36 -1.973 8.159 5.354 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.029 6.105 7.346 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.102 4.825 6.276 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.691 4.538 5.596 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.584 6.104 5.025 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.249 5.293 3.353 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.426 6.716 2.801 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.408 5.898 1.128 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.934 6.608 0.846 1.00 0.00 H new ATOM 543 N GLN A 37 0.347 6.856 8.070 1.00 0.00 N ATOM 544 CA GLN A 37 1.465 7.578 8.663 1.00 0.00 C ATOM 545 C GLN A 37 2.789 6.897 8.337 1.00 0.00 C ATOM 546 O GLN A 37 2.812 5.807 7.767 1.00 0.00 O ATOM 547 CB GLN A 37 1.288 7.674 10.180 1.00 0.00 C ATOM 548 CG GLN A 37 1.171 6.323 10.866 1.00 0.00 C ATOM 549 CD GLN A 37 1.508 6.386 12.343 1.00 0.00 C ATOM 550 OE1 GLN A 37 2.584 5.960 12.765 1.00 0.00 O ATOM 551 NE2 GLN A 37 0.589 6.921 13.137 1.00 0.00 N ATOM 0 H GLN A 37 0.122 5.974 8.531 1.00 0.00 H new ATOM 0 HA GLN A 37 1.481 8.582 8.240 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.135 8.214 10.603 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.395 8.261 10.397 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.156 5.945 10.745 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.836 5.612 10.376 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.289 7.261 12.744 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.760 6.992 14.140 1.00 0.00 H new ATOM 560 N GLU A 38 3.889 7.548 8.701 1.00 0.00 N ATOM 561 CA GLU A 38 5.218 7.003 8.444 1.00 0.00 C ATOM 562 C GLU A 38 5.453 5.735 9.258 1.00 0.00 C ATOM 563 O GLU A 38 5.551 5.779 10.483 1.00 0.00 O ATOM 564 CB GLU A 38 6.292 8.042 8.776 1.00 0.00 C ATOM 565 CG GLU A 38 7.708 7.562 8.507 1.00 0.00 C ATOM 566 CD GLU A 38 8.756 8.440 9.160 1.00 0.00 C ATOM 567 OE1 GLU A 38 8.737 8.567 10.403 1.00 0.00 O ATOM 568 OE2 GLU A 38 9.599 9.004 8.428 1.00 0.00 O ATOM 0 H GLU A 38 3.887 8.452 9.174 1.00 0.00 H new ATOM 0 HA GLU A 38 5.281 6.751 7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.106 8.943 8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.205 8.319 9.827 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.817 6.541 8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.880 7.536 7.431 1.00 0.00 H new ATOM 575 N GLY A 39 5.544 4.603 8.566 1.00 0.00 N ATOM 576 CA GLY A 39 5.766 3.338 9.241 1.00 0.00 C ATOM 577 C GLY A 39 4.682 2.322 8.938 1.00 0.00 C ATOM 578 O GLY A 39 4.863 1.124 9.162 1.00 0.00 O ATOM 0 H GLY A 39 5.468 4.540 7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.733 2.934 8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.811 3.507 10.317 1.00 0.00 H new ATOM 582 N ALA A 40 3.549 2.799 8.431 1.00 0.00 N ATOM 583 CA ALA A 40 2.433 1.925 8.098 1.00 0.00 C ATOM 584 C ALA A 40 2.766 1.040 6.901 1.00 0.00 C ATOM 585 O ALA A 40 3.496 1.450 5.999 1.00 0.00 O ATOM 586 CB ALA A 40 1.184 2.747 7.819 1.00 0.00 C ATOM 0 H ALA A 40 3.381 3.787 8.242 1.00 0.00 H new ATOM 0 HA ALA A 40 2.244 1.277 8.953 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.358 2.081 7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.927 3.330 8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.371 3.420 6.982 1.00 0.00 H new ATOM 592 N ILE A 41 2.225 -0.174 6.900 1.00 0.00 N ATOM 593 CA ILE A 41 2.465 -1.114 5.814 1.00 0.00 C ATOM 594 C ILE A 41 1.251 -1.219 4.898 1.00 0.00 C ATOM 595 O ILE A 41 0.109 -1.203 5.360 1.00 0.00 O ATOM 596 CB ILE A 41 2.812 -2.517 6.349 1.00 0.00 C ATOM 597 CG1 ILE A 41 4.061 -2.455 7.231 1.00 0.00 C ATOM 598 CG2 ILE A 41 3.018 -3.488 5.195 1.00 0.00 C ATOM 599 CD1 ILE A 41 5.350 -2.372 6.446 1.00 0.00 C ATOM 0 H ILE A 41 1.618 -0.529 7.639 1.00 0.00 H new ATOM 0 HA ILE A 41 3.313 -0.730 5.247 1.00 0.00 H new ATOM 0 HB ILE A 41 1.980 -2.876 6.955 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.989 -1.589 7.889 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.090 -3.338 7.869 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.262 -4.475 5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.104 -3.549 4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.835 -3.136 4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.194 -2.331 7.135 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.445 -3.251 5.808 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.342 -1.474 5.828 1.00 0.00 H new ATOM 611 N ILE A 42 1.502 -1.328 3.597 1.00 0.00 N ATOM 612 CA ILE A 42 0.429 -1.437 2.618 1.00 0.00 C ATOM 613 C ILE A 42 0.733 -2.521 1.589 1.00 0.00 C ATOM 614 O ILE A 42 1.881 -2.700 1.181 1.00 0.00 O ATOM 615 CB ILE A 42 0.197 -0.102 1.886 1.00 0.00 C ATOM 616 CG1 ILE A 42 -0.059 1.020 2.894 1.00 0.00 C ATOM 617 CG2 ILE A 42 -0.970 -0.226 0.917 1.00 0.00 C ATOM 618 CD1 ILE A 42 0.356 2.387 2.397 1.00 0.00 C ATOM 0 H ILE A 42 2.440 -1.343 3.197 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.474 -1.703 3.168 1.00 0.00 H new ATOM 0 HB ILE A 42 1.093 0.144 1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.120 1.039 3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.479 0.799 3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.122 0.725 0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.752 -1.001 0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.873 -0.491 1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.145 3.132 3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.423 2.385 2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.201 2.630 1.492 1.00 0.00 H new ATOM 630 N TYR A 43 -0.303 -3.240 1.172 1.00 0.00 N ATOM 631 CA TYR A 43 -0.147 -4.308 0.192 1.00 0.00 C ATOM 632 C TYR A 43 -0.683 -3.878 -1.171 1.00 0.00 C ATOM 633 O TYR A 43 -1.893 -3.823 -1.386 1.00 0.00 O ATOM 634 CB TYR A 43 -0.872 -5.570 0.661 1.00 0.00 C ATOM 635 CG TYR A 43 -0.271 -6.188 1.904 1.00 0.00 C ATOM 636 CD1 TYR A 43 0.872 -6.973 1.830 1.00 0.00 C ATOM 637 CD2 TYR A 43 -0.847 -5.984 3.152 1.00 0.00 C ATOM 638 CE1 TYR A 43 1.425 -7.538 2.963 1.00 0.00 C ATOM 639 CE2 TYR A 43 -0.302 -6.545 4.290 1.00 0.00 C ATOM 640 CZ TYR A 43 0.834 -7.321 4.191 1.00 0.00 C ATOM 641 OH TYR A 43 1.380 -7.882 5.322 1.00 0.00 O ATOM 0 H TYR A 43 -1.260 -3.103 1.497 1.00 0.00 H new ATOM 0 HA TYR A 43 0.917 -4.524 0.094 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.917 -5.328 0.855 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.859 -6.306 -0.143 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.337 -7.145 0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.736 -5.376 3.233 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.315 -8.146 2.888 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.763 -6.377 5.252 1.00 0.00 H new ATOM 0 HH TYR A 43 0.844 -7.631 6.103 1.00 0.00 H new ATOM 651 N VAL A 44 0.230 -3.575 -2.088 1.00 0.00 N ATOM 652 CA VAL A 44 -0.148 -3.150 -3.431 1.00 0.00 C ATOM 653 C VAL A 44 -0.938 -4.238 -4.149 1.00 0.00 C ATOM 654 O VAL A 44 -0.456 -5.358 -4.320 1.00 0.00 O ATOM 655 CB VAL A 44 1.090 -2.788 -4.275 1.00 0.00 C ATOM 656 CG1 VAL A 44 0.689 -2.501 -5.714 1.00 0.00 C ATOM 657 CG2 VAL A 44 1.819 -1.598 -3.668 1.00 0.00 C ATOM 0 H VAL A 44 1.236 -3.616 -1.926 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.773 -2.264 -3.319 1.00 0.00 H new ATOM 0 HB VAL A 44 1.770 -3.640 -4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.576 -2.247 -6.295 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.215 -3.384 -6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.011 -1.666 -5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.690 -1.356 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.149 -0.739 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.140 -1.846 -2.656 1.00 0.00 H new ATOM 667 N ILE A 45 -2.152 -3.901 -4.568 1.00 0.00 N ATOM 668 CA ILE A 45 -3.008 -4.849 -5.270 1.00 0.00 C ATOM 669 C ILE A 45 -3.443 -4.300 -6.624 1.00 0.00 C ATOM 670 O ILE A 45 -3.931 -5.040 -7.478 1.00 0.00 O ATOM 671 CB ILE A 45 -4.262 -5.194 -4.442 1.00 0.00 C ATOM 672 CG1 ILE A 45 -4.971 -3.915 -3.993 1.00 0.00 C ATOM 673 CG2 ILE A 45 -3.886 -6.049 -3.241 1.00 0.00 C ATOM 674 CD1 ILE A 45 -6.406 -4.138 -3.570 1.00 0.00 C ATOM 0 H ILE A 45 -2.566 -2.978 -4.434 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.420 -5.754 -5.420 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.947 -5.765 -5.068 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.419 -3.476 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.949 -3.191 -4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.782 -6.284 -2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.422 -6.974 -3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.184 -5.503 -2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.847 -3.189 -3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.972 -4.549 -4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.435 -4.837 -2.734 1.00 0.00 H new ATOM 686 N LYS A 46 -3.259 -2.998 -6.815 1.00 0.00 N ATOM 687 CA LYS A 46 -3.628 -2.350 -8.067 1.00 0.00 C ATOM 688 C LYS A 46 -2.549 -1.366 -8.509 1.00 0.00 C ATOM 689 O LYS A 46 -1.863 -0.767 -7.681 1.00 0.00 O ATOM 690 CB LYS A 46 -4.964 -1.620 -7.913 1.00 0.00 C ATOM 691 CG LYS A 46 -5.763 -1.535 -9.203 1.00 0.00 C ATOM 692 CD LYS A 46 -7.208 -1.144 -8.939 1.00 0.00 C ATOM 693 CE LYS A 46 -8.007 -1.056 -10.230 1.00 0.00 C ATOM 694 NZ LYS A 46 -7.511 0.035 -11.115 1.00 0.00 N ATOM 0 H LYS A 46 -2.856 -2.371 -6.118 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.727 -3.122 -8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.562 -2.130 -7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.777 -0.612 -7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.303 -0.805 -9.869 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.733 -2.497 -9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.668 -1.875 -8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.238 -0.183 -8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.949 -2.007 -10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.058 -0.885 -9.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.195 0.198 -11.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.397 0.907 -10.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.594 -0.238 -11.522 1.00 0.00 H new ATOM 708 N LYS A 47 -2.404 -1.203 -9.821 1.00 0.00 N ATOM 709 CA LYS A 47 -1.410 -0.291 -10.372 1.00 0.00 C ATOM 710 C LYS A 47 -2.076 0.796 -11.210 1.00 0.00 C ATOM 711 O LYS A 47 -3.222 0.652 -11.632 1.00 0.00 O ATOM 712 CB LYS A 47 -0.400 -1.060 -11.226 1.00 0.00 C ATOM 713 CG LYS A 47 0.440 -2.047 -10.434 1.00 0.00 C ATOM 714 CD LYS A 47 1.636 -1.369 -9.789 1.00 0.00 C ATOM 715 CE LYS A 47 2.513 -2.370 -9.051 1.00 0.00 C ATOM 716 NZ LYS A 47 3.285 -1.726 -7.951 1.00 0.00 N ATOM 0 H LYS A 47 -2.963 -1.691 -10.521 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.888 0.183 -9.541 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.934 -1.597 -12.010 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.261 -0.348 -11.721 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.174 -2.513 -9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.784 -2.844 -11.093 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.225 -0.862 -10.554 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.291 -0.604 -9.094 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.890 -3.165 -8.641 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.203 -2.836 -9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.623 -2.455 -7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.099 -1.216 -8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.673 -1.056 -7.443 1.00 0.00 H new ATOM 730 N ASN A 48 -1.348 1.882 -11.449 1.00 0.00 N ATOM 731 CA ASN A 48 -1.868 2.993 -12.237 1.00 0.00 C ATOM 732 C ASN A 48 -0.850 3.446 -13.279 1.00 0.00 C ATOM 733 O ASN A 48 0.208 2.833 -13.434 1.00 0.00 O ATOM 734 CB ASN A 48 -2.236 4.165 -11.325 1.00 0.00 C ATOM 735 CG ASN A 48 -3.454 3.873 -10.471 1.00 0.00 C ATOM 736 OD1 ASN A 48 -3.354 2.851 -9.627 1.00 0.00 O flip ATOM 737 ND2 ASN A 48 -4.472 4.558 -10.566 1.00 0.00 N flip ATOM 0 H ASN A 48 -0.396 2.016 -11.108 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.763 2.649 -12.755 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.390 4.398 -10.679 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.426 5.049 -11.933 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.505 5.334 -11.228 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.283 4.350 -9.983 1.00 0.00 H new ATOM 744 N ASP A 49 -1.174 4.522 -13.988 1.00 0.00 N ATOM 745 CA ASP A 49 -0.287 5.057 -15.014 1.00 0.00 C ATOM 746 C ASP A 49 0.315 6.387 -14.572 1.00 0.00 C ATOM 747 O ASP A 49 1.414 6.751 -14.990 1.00 0.00 O ATOM 748 CB ASP A 49 -1.045 5.239 -16.330 1.00 0.00 C ATOM 749 CG ASP A 49 -0.240 6.003 -17.362 1.00 0.00 C ATOM 750 OD1 ASP A 49 0.567 5.370 -18.072 1.00 0.00 O ATOM 751 OD2 ASP A 49 -0.415 7.237 -17.456 1.00 0.00 O ATOM 0 H ASP A 49 -2.044 5.041 -13.871 1.00 0.00 H new ATOM 0 HA ASP A 49 0.523 4.344 -15.166 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.310 4.261 -16.732 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.979 5.768 -16.138 1.00 0.00 H new ATOM 756 N ASP A 50 -0.414 7.106 -13.725 1.00 0.00 N ATOM 757 CA ASP A 50 0.049 8.397 -13.225 1.00 0.00 C ATOM 758 C ASP A 50 0.649 8.255 -11.830 1.00 0.00 C ATOM 759 O ASP A 50 0.432 9.101 -10.962 1.00 0.00 O ATOM 760 CB ASP A 50 -1.105 9.401 -13.199 1.00 0.00 C ATOM 761 CG ASP A 50 -1.692 9.643 -14.575 1.00 0.00 C ATOM 762 OD1 ASP A 50 -0.952 10.118 -15.462 1.00 0.00 O ATOM 763 OD2 ASP A 50 -2.893 9.356 -14.767 1.00 0.00 O ATOM 0 H ASP A 50 -1.326 6.818 -13.371 1.00 0.00 H new ATOM 0 HA ASP A 50 0.824 8.764 -13.898 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.886 9.035 -12.533 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.751 10.346 -12.787 1.00 0.00 H new ATOM 768 N GLY A 51 1.403 7.181 -11.620 1.00 0.00 N ATOM 769 CA GLY A 51 2.020 6.947 -10.328 1.00 0.00 C ATOM 770 C GLY A 51 1.001 6.807 -9.214 1.00 0.00 C ATOM 771 O GLY A 51 0.758 7.752 -8.464 1.00 0.00 O ATOM 0 H GLY A 51 1.598 6.468 -12.323 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.626 6.042 -10.377 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.695 7.771 -10.097 1.00 0.00 H new ATOM 775 N TRP A 52 0.403 5.626 -9.107 1.00 0.00 N ATOM 776 CA TRP A 52 -0.598 5.367 -8.079 1.00 0.00 C ATOM 777 C TRP A 52 -0.811 3.869 -7.892 1.00 0.00 C ATOM 778 O TRP A 52 -0.882 3.117 -8.864 1.00 0.00 O ATOM 779 CB TRP A 52 -1.921 6.042 -8.444 1.00 0.00 C ATOM 780 CG TRP A 52 -1.833 7.537 -8.492 1.00 0.00 C ATOM 781 CD1 TRP A 52 -1.565 8.306 -9.589 1.00 0.00 C ATOM 782 CD2 TRP A 52 -2.011 8.442 -7.399 1.00 0.00 C ATOM 783 NE1 TRP A 52 -1.566 9.636 -9.242 1.00 0.00 N ATOM 784 CE2 TRP A 52 -1.838 9.745 -7.904 1.00 0.00 C ATOM 785 CE3 TRP A 52 -2.302 8.279 -6.042 1.00 0.00 C ATOM 786 CZ2 TRP A 52 -1.945 10.875 -7.099 1.00 0.00 C ATOM 787 CZ3 TRP A 52 -2.408 9.402 -5.244 1.00 0.00 C ATOM 788 CH2 TRP A 52 -2.230 10.687 -5.773 1.00 0.00 C ATOM 0 H TRP A 52 0.594 4.833 -9.719 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.234 5.783 -7.140 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.253 5.674 -9.415 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.680 5.753 -7.717 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.380 7.925 -10.582 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -1.392 10.415 -9.877 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -2.442 7.293 -5.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -1.808 11.866 -7.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.632 9.287 -4.194 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -2.319 11.545 -5.123 1.00 0.00 H new ATOM 799 N TYR A 53 -0.911 3.442 -6.638 1.00 0.00 N ATOM 800 CA TYR A 53 -1.112 2.032 -6.325 1.00 0.00 C ATOM 801 C TYR A 53 -2.226 1.857 -5.296 1.00 0.00 C ATOM 802 O TYR A 53 -2.298 2.593 -4.313 1.00 0.00 O ATOM 803 CB TYR A 53 0.183 1.415 -5.799 1.00 0.00 C ATOM 804 CG TYR A 53 1.393 1.729 -6.651 1.00 0.00 C ATOM 805 CD1 TYR A 53 1.353 1.579 -8.031 1.00 0.00 C ATOM 806 CD2 TYR A 53 2.575 2.178 -6.074 1.00 0.00 C ATOM 807 CE1 TYR A 53 2.457 1.866 -8.812 1.00 0.00 C ATOM 808 CE2 TYR A 53 3.682 2.469 -6.847 1.00 0.00 C ATOM 809 CZ TYR A 53 3.618 2.310 -8.217 1.00 0.00 C ATOM 810 OH TYR A 53 4.718 2.597 -8.990 1.00 0.00 O ATOM 0 H TYR A 53 -0.856 4.052 -5.822 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.404 1.520 -7.242 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.360 1.773 -4.785 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.062 0.333 -5.739 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.445 1.233 -8.502 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.629 2.302 -5.002 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.410 1.743 -9.884 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.592 2.819 -6.383 1.00 0.00 H new ATOM 0 HH TYR A 53 5.452 2.899 -8.415 1.00 0.00 H new ATOM 820 N GLU A 54 -3.092 0.877 -5.531 1.00 0.00 N ATOM 821 CA GLU A 54 -4.201 0.604 -4.626 1.00 0.00 C ATOM 822 C GLU A 54 -3.842 -0.505 -3.642 1.00 0.00 C ATOM 823 O GLU A 54 -3.621 -1.650 -4.035 1.00 0.00 O ATOM 824 CB GLU A 54 -5.451 0.214 -5.417 1.00 0.00 C ATOM 825 CG GLU A 54 -6.748 0.448 -4.662 1.00 0.00 C ATOM 826 CD GLU A 54 -7.941 -0.206 -5.333 1.00 0.00 C ATOM 827 OE1 GLU A 54 -8.306 0.226 -6.446 1.00 0.00 O ATOM 828 OE2 GLU A 54 -8.508 -1.150 -4.745 1.00 0.00 O ATOM 0 H GLU A 54 -3.047 0.259 -6.341 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.406 1.514 -4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.474 0.783 -6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.384 -0.839 -5.689 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.649 0.060 -3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.926 1.520 -4.577 1.00 0.00 H new ATOM 835 N GLY A 55 -3.785 -0.156 -2.361 1.00 0.00 N ATOM 836 CA GLY A 55 -3.451 -1.134 -1.341 1.00 0.00 C ATOM 837 C GLY A 55 -4.492 -1.202 -0.240 1.00 0.00 C ATOM 838 O GLY A 55 -5.423 -0.397 -0.206 1.00 0.00 O ATOM 0 H GLY A 55 -3.964 0.785 -2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.350 -2.116 -1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.483 -0.885 -0.907 1.00 0.00 H new ATOM 842 N VAL A 56 -4.336 -2.166 0.660 1.00 0.00 N ATOM 843 CA VAL A 56 -5.270 -2.338 1.766 1.00 0.00 C ATOM 844 C VAL A 56 -4.603 -2.032 3.102 1.00 0.00 C ATOM 845 O VAL A 56 -3.453 -2.403 3.333 1.00 0.00 O ATOM 846 CB VAL A 56 -5.837 -3.770 1.805 1.00 0.00 C ATOM 847 CG1 VAL A 56 -6.918 -3.888 2.869 1.00 0.00 C ATOM 848 CG2 VAL A 56 -6.376 -4.168 0.439 1.00 0.00 C ATOM 0 H VAL A 56 -3.571 -2.841 0.645 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.087 -1.635 1.601 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.029 -4.454 2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.306 -4.906 2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.496 -3.649 3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.727 -3.194 2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.772 -5.182 0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.170 -3.481 0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.572 -4.126 -0.296 1.00 0.00 H new ATOM 858 N MET A 57 -5.333 -1.350 3.979 1.00 0.00 N ATOM 859 CA MET A 57 -4.812 -0.994 5.294 1.00 0.00 C ATOM 860 C MET A 57 -5.935 -0.930 6.324 1.00 0.00 C ATOM 861 O MET A 57 -7.049 -0.509 6.017 1.00 0.00 O ATOM 862 CB MET A 57 -4.085 0.350 5.231 1.00 0.00 C ATOM 863 CG MET A 57 -2.954 0.478 6.239 1.00 0.00 C ATOM 864 SD MET A 57 -3.515 1.089 7.839 1.00 0.00 S ATOM 865 CE MET A 57 -3.404 2.858 7.584 1.00 0.00 C ATOM 0 H MET A 57 -6.286 -1.033 3.803 1.00 0.00 H new ATOM 0 HA MET A 57 -4.106 -1.767 5.599 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.684 0.490 4.227 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.804 1.151 5.401 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.479 -0.494 6.372 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.194 1.152 5.843 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.719 3.377 8.489 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.374 3.128 7.351 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.051 3.148 6.756 1.00 0.00 H new ATOM 875 N ASN A 58 -5.632 -1.352 7.548 1.00 0.00 N ATOM 876 CA ASN A 58 -6.618 -1.343 8.625 1.00 0.00 C ATOM 877 C ASN A 58 -8.008 -1.677 8.092 1.00 0.00 C ATOM 878 O ASN A 58 -9.007 -1.112 8.535 1.00 0.00 O ATOM 879 CB ASN A 58 -6.638 0.022 9.313 1.00 0.00 C ATOM 880 CG ASN A 58 -7.189 1.114 8.418 1.00 0.00 C ATOM 881 OD1 ASN A 58 -6.584 1.466 7.405 1.00 0.00 O ATOM 882 ND2 ASN A 58 -8.344 1.657 8.787 1.00 0.00 N ATOM 0 H ASN A 58 -4.714 -1.704 7.819 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.334 -2.105 9.351 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.241 -0.040 10.219 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.626 0.285 9.621 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.763 2.396 8.223 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.811 1.335 9.634 1.00 0.00 H new ATOM 889 N GLY A 59 -8.064 -2.602 7.136 1.00 0.00 N ATOM 890 CA GLY A 59 -9.336 -2.996 6.559 1.00 0.00 C ATOM 891 C GLY A 59 -9.785 -2.062 5.454 1.00 0.00 C ATOM 892 O GLY A 59 -10.415 -2.490 4.486 1.00 0.00 O ATOM 0 H GLY A 59 -7.251 -3.084 6.752 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.254 -4.009 6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.095 -3.020 7.341 1.00 0.00 H new ATOM 896 N VAL A 60 -9.464 -0.781 5.598 1.00 0.00 N ATOM 897 CA VAL A 60 -9.839 0.218 4.602 1.00 0.00 C ATOM 898 C VAL A 60 -8.946 0.129 3.370 1.00 0.00 C ATOM 899 O VAL A 60 -7.734 -0.060 3.478 1.00 0.00 O ATOM 900 CB VAL A 60 -9.757 1.644 5.179 1.00 0.00 C ATOM 901 CG1 VAL A 60 -10.037 2.674 4.097 1.00 0.00 C ATOM 902 CG2 VAL A 60 -10.724 1.804 6.343 1.00 0.00 C ATOM 0 H VAL A 60 -8.945 -0.409 6.394 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.870 0.008 4.316 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.746 1.809 5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.975 3.675 4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.301 2.573 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.036 2.514 3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.653 2.817 6.738 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.742 1.620 5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.471 1.090 7.127 1.00 0.00 H new ATOM 912 N THR A 61 -9.554 0.265 2.194 1.00 0.00 N ATOM 913 CA THR A 61 -8.814 0.198 0.940 1.00 0.00 C ATOM 914 C THR A 61 -8.844 1.538 0.214 1.00 0.00 C ATOM 915 O THR A 61 -9.827 2.274 0.287 1.00 0.00 O ATOM 916 CB THR A 61 -9.383 -0.890 0.010 1.00 0.00 C ATOM 917 OG1 THR A 61 -9.555 -2.113 0.736 1.00 0.00 O ATOM 918 CG2 THR A 61 -8.460 -1.124 -1.176 1.00 0.00 C ATOM 0 H THR A 61 -10.556 0.422 2.085 1.00 0.00 H new ATOM 0 HA THR A 61 -7.784 -0.053 1.192 1.00 0.00 H new ATOM 0 HB THR A 61 -10.349 -0.550 -0.363 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.919 -2.800 0.139 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.882 -1.896 -1.819 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.354 -0.199 -1.742 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.482 -1.445 -0.818 1.00 0.00 H new ATOM 926 N GLY A 62 -7.759 1.849 -0.490 1.00 0.00 N ATOM 927 CA GLY A 62 -7.683 3.101 -1.220 1.00 0.00 C ATOM 928 C GLY A 62 -6.457 3.177 -2.110 1.00 0.00 C ATOM 929 O GLY A 62 -5.637 2.258 -2.132 1.00 0.00 O ATOM 0 H GLY A 62 -6.932 1.257 -0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.579 3.218 -1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.668 3.930 -0.513 1.00 0.00 H new ATOM 933 N LEU A 63 -6.333 4.275 -2.848 1.00 0.00 N ATOM 934 CA LEU A 63 -5.199 4.469 -3.746 1.00 0.00 C ATOM 935 C LEU A 63 -4.210 5.474 -3.166 1.00 0.00 C ATOM 936 O LEU A 63 -4.601 6.536 -2.681 1.00 0.00 O ATOM 937 CB LEU A 63 -5.684 4.946 -5.115 1.00 0.00 C ATOM 938 CG LEU A 63 -6.407 3.905 -5.972 1.00 0.00 C ATOM 939 CD1 LEU A 63 -7.825 3.688 -5.465 1.00 0.00 C ATOM 940 CD2 LEU A 63 -6.421 4.332 -7.432 1.00 0.00 C ATOM 0 H LEU A 63 -7.003 5.044 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.690 3.512 -3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.354 5.793 -4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.824 5.314 -5.675 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.867 2.961 -5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.324 2.944 -6.087 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.793 3.336 -4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.376 4.628 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.939 3.579 -8.026 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.937 5.288 -7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.397 4.435 -7.791 1.00 0.00 H new ATOM 952 N PHE A 64 -2.927 5.133 -3.220 1.00 0.00 N ATOM 953 CA PHE A 64 -1.881 6.007 -2.700 1.00 0.00 C ATOM 954 C PHE A 64 -0.821 6.278 -3.764 1.00 0.00 C ATOM 955 O PHE A 64 -0.598 5.478 -4.673 1.00 0.00 O ATOM 956 CB PHE A 64 -1.231 5.380 -1.465 1.00 0.00 C ATOM 957 CG PHE A 64 -0.627 4.028 -1.725 1.00 0.00 C ATOM 958 CD1 PHE A 64 0.604 3.913 -2.349 1.00 0.00 C ATOM 959 CD2 PHE A 64 -1.294 2.874 -1.345 1.00 0.00 C ATOM 960 CE1 PHE A 64 1.161 2.672 -2.589 1.00 0.00 C ATOM 961 CE2 PHE A 64 -0.741 1.630 -1.583 1.00 0.00 C ATOM 962 CZ PHE A 64 0.487 1.527 -2.206 1.00 0.00 C ATOM 0 H PHE A 64 -2.586 4.258 -3.618 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.340 6.955 -2.419 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.456 6.050 -1.093 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.979 5.289 -0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.135 4.804 -2.651 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.255 2.948 -0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.122 2.596 -3.075 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.270 0.738 -1.282 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.920 0.555 -2.394 1.00 0.00 H new ATOM 972 N PRO A 65 -0.151 7.434 -3.650 1.00 0.00 N ATOM 973 CA PRO A 65 0.896 7.839 -4.592 1.00 0.00 C ATOM 974 C PRO A 65 2.153 6.984 -4.463 1.00 0.00 C ATOM 975 O PRO A 65 2.535 6.586 -3.364 1.00 0.00 O ATOM 976 CB PRO A 65 1.190 9.287 -4.193 1.00 0.00 C ATOM 977 CG PRO A 65 0.799 9.373 -2.759 1.00 0.00 C ATOM 978 CD PRO A 65 -0.363 8.435 -2.590 1.00 0.00 C ATOM 0 HA PRO A 65 0.580 7.724 -5.629 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.244 9.529 -4.331 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.619 9.989 -4.801 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.628 9.088 -2.111 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.520 10.392 -2.491 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.369 7.977 -1.601 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.316 8.950 -2.709 1.00 0.00 H new ATOM 986 N GLY A 66 2.794 6.708 -5.596 1.00 0.00 N ATOM 987 CA GLY A 66 4.001 5.903 -5.588 1.00 0.00 C ATOM 988 C GLY A 66 5.232 6.708 -5.222 1.00 0.00 C ATOM 989 O GLY A 66 6.313 6.483 -5.765 1.00 0.00 O ATOM 0 H GLY A 66 2.498 7.028 -6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.883 5.083 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.142 5.456 -6.572 1.00 0.00 H new ATOM 993 N ASN A 67 5.068 7.652 -4.301 1.00 0.00 N ATOM 994 CA ASN A 67 6.175 8.496 -3.865 1.00 0.00 C ATOM 995 C ASN A 67 6.301 8.485 -2.345 1.00 0.00 C ATOM 996 O ASN A 67 7.395 8.644 -1.801 1.00 0.00 O ATOM 997 CB ASN A 67 5.978 9.930 -4.362 1.00 0.00 C ATOM 998 CG ASN A 67 6.422 10.109 -5.801 1.00 0.00 C ATOM 999 OD1 ASN A 67 7.259 9.358 -6.302 1.00 0.00 O ATOM 1000 ND2 ASN A 67 5.865 11.110 -6.472 1.00 0.00 N ATOM 0 H ASN A 67 4.179 7.852 -3.842 1.00 0.00 H new ATOM 0 HA ASN A 67 7.095 8.095 -4.291 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.926 10.201 -4.273 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.539 10.613 -3.724 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.127 11.281 -7.443 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.175 11.708 -6.017 1.00 0.00 H new ATOM 1007 N TYR A 68 5.176 8.299 -1.664 1.00 0.00 N ATOM 1008 CA TYR A 68 5.160 8.269 -0.206 1.00 0.00 C ATOM 1009 C TYR A 68 5.340 6.845 0.312 1.00 0.00 C ATOM 1010 O TYR A 68 5.065 6.557 1.477 1.00 0.00 O ATOM 1011 CB TYR A 68 3.848 8.854 0.321 1.00 0.00 C ATOM 1012 CG TYR A 68 3.715 10.343 0.093 1.00 0.00 C ATOM 1013 CD1 TYR A 68 3.451 10.851 -1.173 1.00 0.00 C ATOM 1014 CD2 TYR A 68 3.852 11.242 1.143 1.00 0.00 C ATOM 1015 CE1 TYR A 68 3.327 12.210 -1.387 1.00 0.00 C ATOM 1016 CE2 TYR A 68 3.729 12.603 0.940 1.00 0.00 C ATOM 1017 CZ TYR A 68 3.467 13.081 -0.328 1.00 0.00 C ATOM 1018 OH TYR A 68 3.345 14.437 -0.534 1.00 0.00 O ATOM 0 H TYR A 68 4.263 8.167 -2.098 1.00 0.00 H new ATOM 0 HA TYR A 68 5.992 8.874 0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.013 8.345 -0.161 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.772 8.650 1.389 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.341 10.171 -2.005 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.058 10.870 2.136 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.122 12.588 -2.378 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.837 13.288 1.768 1.00 0.00 H new ATOM 0 HH TYR A 68 3.470 14.909 0.315 1.00 0.00 H new ATOM 1028 N VAL A 69 5.806 5.959 -0.562 1.00 0.00 N ATOM 1029 CA VAL A 69 6.025 4.567 -0.194 1.00 0.00 C ATOM 1030 C VAL A 69 7.220 3.983 -0.941 1.00 0.00 C ATOM 1031 O VAL A 69 7.662 4.532 -1.948 1.00 0.00 O ATOM 1032 CB VAL A 69 4.781 3.705 -0.486 1.00 0.00 C ATOM 1033 CG1 VAL A 69 3.570 4.250 0.253 1.00 0.00 C ATOM 1034 CG2 VAL A 69 4.517 3.641 -1.982 1.00 0.00 C ATOM 0 H VAL A 69 6.039 6.181 -1.530 1.00 0.00 H new ATOM 0 HA VAL A 69 6.225 4.551 0.877 1.00 0.00 H new ATOM 0 HB VAL A 69 4.970 2.692 -0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.701 3.629 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.763 4.240 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.376 5.272 -0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.635 3.028 -2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.348 4.647 -2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.378 3.201 -2.485 1.00 0.00 H new ATOM 1044 N GLU A 70 7.736 2.865 -0.439 1.00 0.00 N ATOM 1045 CA GLU A 70 8.880 2.206 -1.058 1.00 0.00 C ATOM 1046 C GLU A 70 8.707 0.690 -1.046 1.00 0.00 C ATOM 1047 O GLU A 70 8.054 0.137 -0.162 1.00 0.00 O ATOM 1048 CB GLU A 70 10.172 2.591 -0.333 1.00 0.00 C ATOM 1049 CG GLU A 70 10.824 3.848 -0.878 1.00 0.00 C ATOM 1050 CD GLU A 70 11.314 3.681 -2.304 1.00 0.00 C ATOM 1051 OE1 GLU A 70 12.179 2.812 -2.536 1.00 0.00 O ATOM 1052 OE2 GLU A 70 10.831 4.421 -3.187 1.00 0.00 O ATOM 0 H GLU A 70 7.380 2.397 0.394 1.00 0.00 H new ATOM 0 HA GLU A 70 8.942 2.538 -2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.956 2.734 0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.879 1.765 -0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.109 4.670 -0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.663 4.123 -0.239 1.00 0.00 H new ATOM 1059 N SER A 71 9.298 0.025 -2.033 1.00 0.00 N ATOM 1060 CA SER A 71 9.208 -1.427 -2.139 1.00 0.00 C ATOM 1061 C SER A 71 10.289 -2.102 -1.300 1.00 0.00 C ATOM 1062 O SER A 71 11.473 -2.045 -1.632 1.00 0.00 O ATOM 1063 CB SER A 71 9.336 -1.861 -3.600 1.00 0.00 C ATOM 1064 OG SER A 71 10.603 -1.511 -4.128 1.00 0.00 O ATOM 0 H SER A 71 9.845 0.468 -2.771 1.00 0.00 H new ATOM 0 HA SER A 71 8.234 -1.734 -1.759 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.192 -2.939 -3.676 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.550 -1.392 -4.192 1.00 0.00 H new ATOM 0 HG SER A 71 11.255 -1.448 -3.399 1.00 0.00 H new ATOM 1070 N ILE A 72 9.871 -2.740 -0.212 1.00 0.00 N ATOM 1071 CA ILE A 72 10.803 -3.426 0.675 1.00 0.00 C ATOM 1072 C ILE A 72 10.901 -4.907 0.328 1.00 0.00 C ATOM 1073 O ILE A 72 11.916 -5.551 0.591 1.00 0.00 O ATOM 1074 CB ILE A 72 10.386 -3.281 2.150 1.00 0.00 C ATOM 1075 CG1 ILE A 72 8.931 -3.717 2.337 1.00 0.00 C ATOM 1076 CG2 ILE A 72 10.580 -1.846 2.618 1.00 0.00 C ATOM 1077 CD1 ILE A 72 8.484 -3.727 3.782 1.00 0.00 C ATOM 0 H ILE A 72 8.894 -2.796 0.076 1.00 0.00 H new ATOM 0 HA ILE A 72 11.777 -2.957 0.534 1.00 0.00 H new ATOM 0 HB ILE A 72 11.020 -3.928 2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.284 -3.048 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.803 -4.715 1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 72 10.281 -1.760 3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.629 -1.569 2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 72 9.969 -1.179 2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.443 -4.046 3.839 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.107 -4.418 4.351 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.580 -2.725 4.199 1.00 0.00 H new ATOM 1089 N SER A 73 9.837 -5.442 -0.264 1.00 0.00 N ATOM 1090 CA SER A 73 9.802 -6.850 -0.646 1.00 0.00 C ATOM 1091 C SER A 73 10.672 -7.101 -1.874 1.00 0.00 C ATOM 1092 O SER A 73 11.651 -7.845 -1.813 1.00 0.00 O ATOM 1093 CB SER A 73 8.363 -7.287 -0.928 1.00 0.00 C ATOM 1094 OG SER A 73 8.229 -8.695 -0.824 1.00 0.00 O ATOM 0 H SER A 73 8.989 -4.922 -0.489 1.00 0.00 H new ATOM 0 HA SER A 73 10.197 -7.437 0.183 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.687 -6.801 -0.224 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.070 -6.963 -1.927 1.00 0.00 H new ATOM 0 HG SER A 73 7.300 -8.950 -1.007 1.00 0.00 H new ATOM 1100 N GLY A 74 10.305 -6.477 -2.989 1.00 0.00 N ATOM 1101 CA GLY A 74 11.062 -6.645 -4.215 1.00 0.00 C ATOM 1102 C GLY A 74 11.498 -5.322 -4.816 1.00 0.00 C ATOM 1103 O GLY A 74 11.522 -4.291 -4.144 1.00 0.00 O ATOM 0 H GLY A 74 9.497 -5.859 -3.065 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.942 -7.256 -4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.456 -7.188 -4.941 1.00 0.00 H new ATOM 1107 N PRO A 75 11.852 -5.344 -6.109 1.00 0.00 N ATOM 1108 CA PRO A 75 12.296 -4.145 -6.828 1.00 0.00 C ATOM 1109 C PRO A 75 11.161 -3.151 -7.053 1.00 0.00 C ATOM 1110 O PRO A 75 10.016 -3.407 -6.681 1.00 0.00 O ATOM 1111 CB PRO A 75 12.795 -4.698 -8.165 1.00 0.00 C ATOM 1112 CG PRO A 75 12.049 -5.974 -8.350 1.00 0.00 C ATOM 1113 CD PRO A 75 11.845 -6.538 -6.971 1.00 0.00 C ATOM 0 HA PRO A 75 13.052 -3.592 -6.271 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.597 -4.002 -8.980 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.871 -4.868 -8.146 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.094 -5.799 -8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.611 -6.667 -8.976 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.904 -7.083 -6.895 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.639 -7.234 -6.700 1.00 0.00 H new ATOM 1121 N SER A 76 11.488 -2.015 -7.662 1.00 0.00 N ATOM 1122 CA SER A 76 10.496 -0.981 -7.934 1.00 0.00 C ATOM 1123 C SER A 76 10.156 -0.930 -9.420 1.00 0.00 C ATOM 1124 O SER A 76 11.012 -0.634 -10.253 1.00 0.00 O ATOM 1125 CB SER A 76 11.012 0.383 -7.470 1.00 0.00 C ATOM 1126 OG SER A 76 10.016 1.381 -7.616 1.00 0.00 O ATOM 0 H SER A 76 12.431 -1.788 -7.976 1.00 0.00 H new ATOM 0 HA SER A 76 9.590 -1.227 -7.381 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.321 0.323 -6.426 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.894 0.658 -8.048 1.00 0.00 H new ATOM 0 HG SER A 76 10.369 2.243 -7.311 1.00 0.00 H new ATOM 1132 N SER A 77 8.901 -1.223 -9.744 1.00 0.00 N ATOM 1133 CA SER A 77 8.447 -1.216 -11.130 1.00 0.00 C ATOM 1134 C SER A 77 8.128 0.204 -11.590 1.00 0.00 C ATOM 1135 O SER A 77 7.533 0.988 -10.852 1.00 0.00 O ATOM 1136 CB SER A 77 7.213 -2.105 -11.290 1.00 0.00 C ATOM 1137 OG SER A 77 6.209 -1.756 -10.352 1.00 0.00 O ATOM 0 H SER A 77 8.180 -1.468 -9.066 1.00 0.00 H new ATOM 0 HA SER A 77 9.252 -1.609 -11.752 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.820 -2.008 -12.302 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.493 -3.150 -11.156 1.00 0.00 H new ATOM 0 HG SER A 77 5.430 -2.337 -10.475 1.00 0.00 H new ATOM 1143 N GLY A 78 8.530 0.528 -12.815 1.00 0.00 N ATOM 1144 CA GLY A 78 8.279 1.852 -13.353 1.00 0.00 C ATOM 1145 C GLY A 78 9.199 2.902 -12.761 1.00 0.00 C ATOM 1146 O GLY A 78 10.404 2.684 -12.642 1.00 0.00 O ATOM 0 H GLY A 78 9.025 -0.103 -13.445 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.406 1.831 -14.435 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.243 2.130 -13.158 1.00 0.00 H new TER 1150 GLY A 78