USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 971 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 65 CYS SG : rot -101:sc= 1.28 USER MOD Set 1.2: A 70 THR OG1 : rot 172:sc= -0.69 USER MOD Set 2.1: A 61 THR OG1 : rot 79:sc= 0.819 USER MOD Set 2.2: A 62 HIS : no HD1:sc= 0.2 K(o=1,f=-9.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -6:sc= 0.904 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -2.07! C(o=-2.1!,f=-2.3!) USER MOD Single : A 31 SER OG : rot -120:sc= -0.029 USER MOD Single : A 34 GLN : amide:sc=-0.00557 K(o=-0.0056,f=-0.85) USER MOD Single : A 35 ASN : amide:sc= -0.957 K(o=-0.96,f=-3.1!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -163:sc= -0.0176 (180deg=-0.177) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -130:sc= 0.812 USER MOD Single : A 60 SER OG : rot -50:sc= -0.978 USER MOD Single : A 69 ASN : amide:sc= -5.44! C(o=-5.4!,f=-5.4!) USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.588) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.116 K(o=-0.12,f=-2!) USER MOD Single : A 86 LYS NZ :NH3+ -179:sc= 0.707 (180deg=0.702) USER MOD Single : A 92 CYS SG : rot 77:sc= 0.958 USER MOD Single : A 93 HIS : no HE2:sc= -2.98! C(o=-3!,f=-5.7!) USER MOD Single : A 95 MET CE :methyl 142:sc= -2.3! (180deg=-3.65!) USER MOD Single : A 101 SER OG : rot 170:sc= -4.96! USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 TYR OH : rot -43:sc= 0.66 USER MOD Single : A 106 MET CE :methyl -112:sc= -0.701 (180deg=-2.81!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 58:sc= 0.59 USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.927 18.392 -2.186 1.00 0.00 N ATOM 2 CA GLY A 1 -25.998 19.169 -2.986 1.00 0.00 C ATOM 3 C GLY A 1 -25.593 20.464 -2.310 1.00 0.00 C ATOM 4 O GLY A 1 -26.138 21.526 -2.613 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.173 17.517 -2.692 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.485 18.153 -1.275 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.789 18.948 -2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.108 18.573 -3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.453 19.393 -3.951 1.00 0.00 H new ATOM 8 N SER A 2 -24.637 20.377 -1.391 1.00 0.00 N ATOM 9 CA SER A 2 -24.164 21.551 -0.667 1.00 0.00 C ATOM 10 C SER A 2 -22.763 21.318 -0.110 1.00 0.00 C ATOM 11 O SER A 2 -22.273 20.189 -0.086 1.00 0.00 O ATOM 12 CB SER A 2 -25.127 21.896 0.471 1.00 0.00 C ATOM 13 OG SER A 2 -26.397 22.271 -0.032 1.00 0.00 O ATOM 0 H SER A 2 -24.175 19.506 -1.130 1.00 0.00 H new ATOM 0 HA SER A 2 -24.124 22.387 -1.366 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.234 21.037 1.134 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.714 22.710 1.067 1.00 0.00 H new ATOM 0 HG SER A 2 -26.358 22.329 -1.010 1.00 0.00 H new ATOM 19 N SER A 3 -22.124 22.394 0.338 1.00 0.00 N ATOM 20 CA SER A 3 -20.778 22.308 0.892 1.00 0.00 C ATOM 21 C SER A 3 -20.555 23.388 1.947 1.00 0.00 C ATOM 22 O SER A 3 -21.321 24.346 2.042 1.00 0.00 O ATOM 23 CB SER A 3 -19.736 22.444 -0.221 1.00 0.00 C ATOM 24 OG SER A 3 -19.871 23.682 -0.897 1.00 0.00 O ATOM 0 H SER A 3 -22.517 23.335 0.328 1.00 0.00 H new ATOM 0 HA SER A 3 -20.668 21.333 1.366 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.735 22.364 0.202 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.848 21.624 -0.931 1.00 0.00 H new ATOM 0 HG SER A 3 -19.193 23.745 -1.602 1.00 0.00 H new ATOM 30 N GLY A 4 -19.499 23.224 2.738 1.00 0.00 N ATOM 31 CA GLY A 4 -19.193 24.191 3.776 1.00 0.00 C ATOM 32 C GLY A 4 -18.577 23.548 5.003 1.00 0.00 C ATOM 33 O GLY A 4 -19.219 22.747 5.682 1.00 0.00 O ATOM 0 H GLY A 4 -18.850 22.439 2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.508 24.941 3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.106 24.713 4.063 1.00 0.00 H new ATOM 37 N SER A 5 -17.326 23.899 5.288 1.00 0.00 N ATOM 38 CA SER A 5 -16.621 23.346 6.438 1.00 0.00 C ATOM 39 C SER A 5 -15.455 24.243 6.842 1.00 0.00 C ATOM 40 O SER A 5 -14.586 24.555 6.027 1.00 0.00 O ATOM 41 CB SER A 5 -16.111 21.939 6.123 1.00 0.00 C ATOM 42 OG SER A 5 -15.212 21.487 7.120 1.00 0.00 O ATOM 0 H SER A 5 -16.781 24.563 4.738 1.00 0.00 H new ATOM 0 HA SER A 5 -17.322 23.292 7.271 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.954 21.251 6.050 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.614 21.938 5.153 1.00 0.00 H new ATOM 0 HG SER A 5 -14.902 20.585 6.896 1.00 0.00 H new ATOM 48 N SER A 6 -15.442 24.654 8.106 1.00 0.00 N ATOM 49 CA SER A 6 -14.386 25.519 8.618 1.00 0.00 C ATOM 50 C SER A 6 -13.944 25.071 10.008 1.00 0.00 C ATOM 51 O SER A 6 -14.766 24.688 10.840 1.00 0.00 O ATOM 52 CB SER A 6 -14.864 26.971 8.667 1.00 0.00 C ATOM 53 OG SER A 6 -14.803 27.571 7.384 1.00 0.00 O ATOM 0 H SER A 6 -16.151 24.402 8.794 1.00 0.00 H new ATOM 0 HA SER A 6 -13.533 25.448 7.943 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.887 27.008 9.041 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.248 27.537 9.366 1.00 0.00 H new ATOM 0 HG SER A 6 -15.115 28.498 7.441 1.00 0.00 H new ATOM 59 N GLY A 7 -12.638 25.121 10.252 1.00 0.00 N ATOM 60 CA GLY A 7 -12.108 24.718 11.542 1.00 0.00 C ATOM 61 C GLY A 7 -11.142 23.555 11.434 1.00 0.00 C ATOM 62 O GLY A 7 -11.559 22.399 11.361 1.00 0.00 O ATOM 0 H GLY A 7 -11.937 25.433 9.580 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.601 25.565 12.004 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.932 24.442 12.200 1.00 0.00 H new ATOM 66 N GLU A 8 -9.849 23.860 11.421 1.00 0.00 N ATOM 67 CA GLU A 8 -8.822 22.830 11.318 1.00 0.00 C ATOM 68 C GLU A 8 -7.834 22.928 12.477 1.00 0.00 C ATOM 69 O GLU A 8 -7.497 24.015 12.947 1.00 0.00 O ATOM 70 CB GLU A 8 -8.077 22.952 9.987 1.00 0.00 C ATOM 71 CG GLU A 8 -8.936 22.627 8.777 1.00 0.00 C ATOM 72 CD GLU A 8 -8.112 22.318 7.542 1.00 0.00 C ATOM 73 OE1 GLU A 8 -7.304 21.368 7.592 1.00 0.00 O ATOM 74 OE2 GLU A 8 -8.275 23.027 6.527 1.00 0.00 O ATOM 0 H GLU A 8 -9.487 24.812 11.480 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.313 21.858 11.363 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.693 23.967 9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.215 22.285 10.000 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.573 21.773 9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.596 23.469 8.568 1.00 0.00 H new ATOM 81 N PRO A 9 -7.359 21.766 12.949 1.00 0.00 N ATOM 82 CA PRO A 9 -6.404 21.694 14.059 1.00 0.00 C ATOM 83 C PRO A 9 -5.024 22.213 13.670 1.00 0.00 C ATOM 84 O PRO A 9 -4.623 22.128 12.509 1.00 0.00 O ATOM 85 CB PRO A 9 -6.343 20.198 14.378 1.00 0.00 C ATOM 86 CG PRO A 9 -6.725 19.524 13.105 1.00 0.00 C ATOM 87 CD PRO A 9 -7.718 20.433 12.437 1.00 0.00 C ATOM 0 HA PRO A 9 -6.712 22.311 14.903 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.344 19.902 14.699 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.027 19.937 15.185 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.853 19.365 12.471 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.161 18.544 13.298 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.639 20.385 11.351 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.743 20.166 12.694 1.00 0.00 H new ATOM 95 N ARG A 10 -4.301 22.749 14.648 1.00 0.00 N ATOM 96 CA ARG A 10 -2.965 23.281 14.407 1.00 0.00 C ATOM 97 C ARG A 10 -1.921 22.169 14.446 1.00 0.00 C ATOM 98 O ARG A 10 -1.598 21.645 15.512 1.00 0.00 O ATOM 99 CB ARG A 10 -2.625 24.352 15.445 1.00 0.00 C ATOM 100 CG ARG A 10 -2.522 23.814 16.863 1.00 0.00 C ATOM 101 CD ARG A 10 -2.594 24.934 17.890 1.00 0.00 C ATOM 102 NE ARG A 10 -2.340 24.451 19.245 1.00 0.00 N ATOM 103 CZ ARG A 10 -2.016 25.245 20.259 1.00 0.00 C ATOM 104 NH1 ARG A 10 -1.908 26.554 20.073 1.00 0.00 N ATOM 105 NH2 ARG A 10 -1.799 24.731 21.463 1.00 0.00 N ATOM 0 H ARG A 10 -4.618 22.826 15.614 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.954 23.730 13.414 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.679 24.822 15.174 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.388 25.130 15.415 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.327 23.102 17.043 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.584 23.271 16.980 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.866 25.705 17.637 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.579 25.400 17.850 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.416 23.449 19.422 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.074 26.953 19.149 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.659 27.161 20.854 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.881 23.725 21.610 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.550 25.342 22.241 1.00 0.00 H new ATOM 119 N ARG A 11 -1.397 21.815 13.277 1.00 0.00 N ATOM 120 CA ARG A 11 -0.391 20.764 13.178 1.00 0.00 C ATOM 121 C ARG A 11 0.758 21.196 12.273 1.00 0.00 C ATOM 122 O ARG A 11 0.568 21.890 11.274 1.00 0.00 O ATOM 123 CB ARG A 11 -1.020 19.476 12.643 1.00 0.00 C ATOM 124 CG ARG A 11 -1.772 18.682 13.698 1.00 0.00 C ATOM 125 CD ARG A 11 -0.828 17.835 14.536 1.00 0.00 C ATOM 126 NE ARG A 11 -1.474 17.329 15.745 1.00 0.00 N ATOM 127 CZ ARG A 11 -1.656 18.058 16.841 1.00 0.00 C ATOM 128 NH1 ARG A 11 -1.244 19.317 16.879 1.00 0.00 N ATOM 129 NH2 ARG A 11 -2.252 17.527 17.901 1.00 0.00 N ATOM 0 H ARG A 11 -1.652 22.240 12.386 1.00 0.00 H new ATOM 0 HA ARG A 11 0.005 20.579 14.176 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.704 19.725 11.832 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.237 18.848 12.218 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.322 19.365 14.346 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.508 18.039 13.215 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.467 16.997 13.940 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.044 18.429 14.812 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.803 16.364 15.748 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.786 19.729 16.066 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.385 19.875 17.721 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.571 16.558 17.875 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.391 18.087 18.742 1.00 0.00 H new ATOM 143 N PRO A 12 1.982 20.778 12.629 1.00 0.00 N ATOM 144 CA PRO A 12 3.187 21.109 11.862 1.00 0.00 C ATOM 145 C PRO A 12 3.229 20.399 10.514 1.00 0.00 C ATOM 146 O PRO A 12 3.568 19.218 10.434 1.00 0.00 O ATOM 147 CB PRO A 12 4.325 20.619 12.761 1.00 0.00 C ATOM 148 CG PRO A 12 3.716 19.543 13.592 1.00 0.00 C ATOM 149 CD PRO A 12 2.283 19.948 13.808 1.00 0.00 C ATOM 0 HA PRO A 12 3.240 22.172 11.625 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.159 20.239 12.171 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.714 21.426 13.382 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.777 18.579 13.088 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.240 19.440 14.542 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.625 19.081 13.868 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.159 20.507 14.735 1.00 0.00 H new ATOM 157 N ARG A 13 2.884 21.126 9.456 1.00 0.00 N ATOM 158 CA ARG A 13 2.883 20.565 8.111 1.00 0.00 C ATOM 159 C ARG A 13 3.678 21.447 7.152 1.00 0.00 C ATOM 160 O ARG A 13 3.597 22.673 7.211 1.00 0.00 O ATOM 161 CB ARG A 13 1.449 20.406 7.603 1.00 0.00 C ATOM 162 CG ARG A 13 0.740 19.180 8.155 1.00 0.00 C ATOM 163 CD ARG A 13 -0.708 19.117 7.692 1.00 0.00 C ATOM 164 NE ARG A 13 -1.590 19.910 8.544 1.00 0.00 N ATOM 165 CZ ARG A 13 -2.881 20.097 8.293 1.00 0.00 C ATOM 166 NH1 ARG A 13 -3.437 19.551 7.221 1.00 0.00 N ATOM 167 NH2 ARG A 13 -3.619 20.831 9.117 1.00 0.00 N ATOM 0 H ARG A 13 2.602 22.105 9.505 1.00 0.00 H new ATOM 0 HA ARG A 13 3.358 19.585 8.154 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.878 21.296 7.868 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.462 20.348 6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.265 18.280 7.835 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.774 19.198 9.244 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.776 19.477 6.665 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.043 18.080 7.689 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.193 20.344 9.377 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.873 18.985 6.586 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.429 19.696 7.031 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.195 21.252 9.944 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.610 20.974 8.923 1.00 0.00 H new ATOM 181 N ALA A 14 4.446 20.813 6.272 1.00 0.00 N ATOM 182 CA ALA A 14 5.254 21.540 5.301 1.00 0.00 C ATOM 183 C ALA A 14 4.601 21.526 3.923 1.00 0.00 C ATOM 184 O ALA A 14 5.276 21.368 2.907 1.00 0.00 O ATOM 185 CB ALA A 14 6.654 20.947 5.230 1.00 0.00 C ATOM 0 H ALA A 14 4.525 19.798 6.212 1.00 0.00 H new ATOM 0 HA ALA A 14 5.327 22.577 5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.247 21.500 4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.128 21.015 6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.591 19.901 4.929 1.00 0.00 H new ATOM 191 N GLY A 15 3.282 21.693 3.897 1.00 0.00 N ATOM 192 CA GLY A 15 2.560 21.695 2.638 1.00 0.00 C ATOM 193 C GLY A 15 2.421 20.306 2.046 1.00 0.00 C ATOM 194 O GLY A 15 3.302 19.458 2.187 1.00 0.00 O ATOM 0 H GLY A 15 2.701 21.827 4.725 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.569 22.122 2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.077 22.339 1.927 1.00 0.00 H new ATOM 198 N PRO A 16 1.291 20.058 1.367 1.00 0.00 N ATOM 199 CA PRO A 16 1.013 18.763 0.740 1.00 0.00 C ATOM 200 C PRO A 16 1.911 18.498 -0.464 1.00 0.00 C ATOM 201 O PRO A 16 1.857 17.425 -1.065 1.00 0.00 O ATOM 202 CB PRO A 16 -0.448 18.888 0.301 1.00 0.00 C ATOM 203 CG PRO A 16 -0.668 20.351 0.131 1.00 0.00 C ATOM 204 CD PRO A 16 0.198 21.023 1.160 1.00 0.00 C ATOM 0 HA PRO A 16 1.198 17.932 1.421 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.629 18.350 -0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.123 18.470 1.048 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.398 20.672 -0.875 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.717 20.607 0.277 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.572 21.984 0.806 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.349 21.215 2.083 1.00 0.00 H new ATOM 212 N GLU A 17 2.735 19.481 -0.810 1.00 0.00 N ATOM 213 CA GLU A 17 3.644 19.352 -1.943 1.00 0.00 C ATOM 214 C GLU A 17 4.803 18.419 -1.608 1.00 0.00 C ATOM 215 O GLU A 17 5.148 17.535 -2.391 1.00 0.00 O ATOM 216 CB GLU A 17 4.182 20.725 -2.353 1.00 0.00 C ATOM 217 CG GLU A 17 4.887 21.463 -1.227 1.00 0.00 C ATOM 218 CD GLU A 17 5.379 22.834 -1.647 1.00 0.00 C ATOM 219 OE1 GLU A 17 6.135 22.916 -2.638 1.00 0.00 O ATOM 220 OE2 GLU A 17 5.008 23.826 -0.984 1.00 0.00 O ATOM 0 H GLU A 17 2.792 20.375 -0.323 1.00 0.00 H new ATOM 0 HA GLU A 17 3.086 18.925 -2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.875 20.601 -3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.356 21.336 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.205 21.569 -0.384 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.732 20.868 -0.881 1.00 0.00 H new ATOM 227 N GLU A 18 5.400 18.624 -0.438 1.00 0.00 N ATOM 228 CA GLU A 18 6.522 17.801 0.001 1.00 0.00 C ATOM 229 C GLU A 18 6.173 16.318 -0.078 1.00 0.00 C ATOM 230 O GLU A 18 6.948 15.513 -0.596 1.00 0.00 O ATOM 231 CB GLU A 18 6.922 18.167 1.432 1.00 0.00 C ATOM 232 CG GLU A 18 8.371 17.846 1.760 1.00 0.00 C ATOM 233 CD GLU A 18 9.343 18.808 1.105 1.00 0.00 C ATOM 234 OE1 GLU A 18 9.262 20.021 1.391 1.00 0.00 O ATOM 235 OE2 GLU A 18 10.186 18.347 0.306 1.00 0.00 O ATOM 0 H GLU A 18 5.126 19.352 0.222 1.00 0.00 H new ATOM 0 HA GLU A 18 7.363 17.994 -0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.751 19.232 1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.274 17.635 2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.510 17.874 2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.597 16.830 1.436 1.00 0.00 H new ATOM 242 N LEU A 19 5.002 15.964 0.439 1.00 0.00 N ATOM 243 CA LEU A 19 4.549 14.577 0.428 1.00 0.00 C ATOM 244 C LEU A 19 3.892 14.229 -0.904 1.00 0.00 C ATOM 245 O LEU A 19 4.031 13.114 -1.404 1.00 0.00 O ATOM 246 CB LEU A 19 3.565 14.332 1.574 1.00 0.00 C ATOM 247 CG LEU A 19 4.169 14.283 2.978 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.213 15.675 3.589 1.00 0.00 C ATOM 249 CD2 LEU A 19 3.379 13.333 3.866 1.00 0.00 C ATOM 0 H LEU A 19 4.349 16.618 0.871 1.00 0.00 H new ATOM 0 HA LEU A 19 5.420 13.935 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.810 15.118 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.050 13.390 1.389 1.00 0.00 H new ATOM 0 HG LEU A 19 5.190 13.910 2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.646 15.620 4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.823 16.327 2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.202 16.076 3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.823 13.311 4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.347 13.675 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.400 12.331 3.437 1.00 0.00 H new ATOM 261 N GLY A 20 3.176 15.194 -1.475 1.00 0.00 N ATOM 262 CA GLY A 20 2.510 14.971 -2.745 1.00 0.00 C ATOM 263 C GLY A 20 3.485 14.663 -3.864 1.00 0.00 C ATOM 264 O GLY A 20 3.081 14.273 -4.960 1.00 0.00 O ATOM 0 H GLY A 20 3.046 16.126 -1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.806 14.145 -2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.928 15.855 -3.007 1.00 0.00 H new ATOM 268 N LYS A 21 4.773 14.839 -3.590 1.00 0.00 N ATOM 269 CA LYS A 21 5.809 14.579 -4.582 1.00 0.00 C ATOM 270 C LYS A 21 6.530 13.268 -4.285 1.00 0.00 C ATOM 271 O LYS A 21 7.530 12.939 -4.924 1.00 0.00 O ATOM 272 CB LYS A 21 6.816 15.731 -4.613 1.00 0.00 C ATOM 273 CG LYS A 21 6.282 16.989 -5.275 1.00 0.00 C ATOM 274 CD LYS A 21 6.391 16.912 -6.788 1.00 0.00 C ATOM 275 CE LYS A 21 5.761 18.126 -7.455 1.00 0.00 C ATOM 276 NZ LYS A 21 5.748 17.998 -8.939 1.00 0.00 N ATOM 0 H LYS A 21 5.124 15.161 -2.688 1.00 0.00 H new ATOM 0 HA LYS A 21 5.330 14.497 -5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.116 15.967 -3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.712 15.405 -5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.240 17.136 -4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.836 17.855 -4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.440 16.841 -7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.901 16.005 -7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.741 18.251 -7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.312 19.023 -7.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.311 18.844 -9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.723 17.904 -9.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.200 17.156 -9.210 1.00 0.00 H new ATOM 290 N ILE A 22 6.015 12.523 -3.312 1.00 0.00 N ATOM 291 CA ILE A 22 6.609 11.246 -2.933 1.00 0.00 C ATOM 292 C ILE A 22 5.979 10.095 -3.709 1.00 0.00 C ATOM 293 O ILE A 22 6.666 9.365 -4.425 1.00 0.00 O ATOM 294 CB ILE A 22 6.453 10.980 -1.424 1.00 0.00 C ATOM 295 CG1 ILE A 22 7.152 12.074 -0.616 1.00 0.00 C ATOM 296 CG2 ILE A 22 7.013 9.611 -1.068 1.00 0.00 C ATOM 297 CD1 ILE A 22 6.850 12.019 0.865 1.00 0.00 C ATOM 0 H ILE A 22 5.189 12.781 -2.772 1.00 0.00 H new ATOM 0 HA ILE A 22 7.670 11.306 -3.176 1.00 0.00 H new ATOM 0 HB ILE A 22 5.392 10.993 -1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.229 11.990 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.853 13.048 -1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.896 9.437 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.474 8.842 -1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.071 9.572 -1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.379 12.824 1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.777 12.134 1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.175 11.060 1.267 1.00 0.00 H new ATOM 309 N LEU A 23 4.668 9.939 -3.565 1.00 0.00 N ATOM 310 CA LEU A 23 3.943 8.877 -4.254 1.00 0.00 C ATOM 311 C LEU A 23 3.182 9.428 -5.456 1.00 0.00 C ATOM 312 O LEU A 23 2.062 9.005 -5.740 1.00 0.00 O ATOM 313 CB LEU A 23 2.971 8.189 -3.293 1.00 0.00 C ATOM 314 CG LEU A 23 3.596 7.230 -2.280 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.515 6.492 -1.506 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.521 6.244 -2.979 1.00 0.00 C ATOM 0 H LEU A 23 4.085 10.535 -2.977 1.00 0.00 H new ATOM 0 HA LEU A 23 4.670 8.147 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.426 8.959 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.239 7.637 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 23 4.186 7.813 -1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.979 5.814 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.893 7.212 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.897 5.921 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.957 5.569 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.953 5.667 -3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.316 6.789 -3.487 1.00 0.00 H new ATOM 328 N GLN A 24 3.801 10.372 -6.159 1.00 0.00 N ATOM 329 CA GLN A 24 3.182 10.979 -7.332 1.00 0.00 C ATOM 330 C GLN A 24 3.019 9.957 -8.452 1.00 0.00 C ATOM 331 O GLN A 24 3.997 9.382 -8.928 1.00 0.00 O ATOM 332 CB GLN A 24 4.019 12.161 -7.821 1.00 0.00 C ATOM 333 CG GLN A 24 3.506 12.777 -9.113 1.00 0.00 C ATOM 334 CD GLN A 24 3.940 12.003 -10.342 1.00 0.00 C ATOM 335 OE1 GLN A 24 3.113 11.433 -11.055 1.00 0.00 O ATOM 336 NE2 GLN A 24 5.243 11.977 -10.596 1.00 0.00 N ATOM 0 H GLN A 24 4.729 10.732 -5.937 1.00 0.00 H new ATOM 0 HA GLN A 24 2.193 11.337 -7.046 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.039 12.927 -7.046 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.047 11.831 -7.969 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.417 12.822 -9.082 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.865 13.803 -9.189 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.893 12.463 -9.978 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.594 11.471 -11.409 1.00 0.00 H new ATOM 345 N GLY A 25 1.776 9.735 -8.869 1.00 0.00 N ATOM 346 CA GLY A 25 1.508 8.782 -9.929 1.00 0.00 C ATOM 347 C GLY A 25 1.229 7.389 -9.401 1.00 0.00 C ATOM 348 O GLY A 25 1.130 6.433 -10.170 1.00 0.00 O ATOM 0 H GLY A 25 0.950 10.199 -8.491 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.653 9.124 -10.513 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.362 8.746 -10.605 1.00 0.00 H new ATOM 352 N VAL A 26 1.102 7.273 -8.082 1.00 0.00 N ATOM 353 CA VAL A 26 0.833 5.987 -7.451 1.00 0.00 C ATOM 354 C VAL A 26 -0.611 5.902 -6.969 1.00 0.00 C ATOM 355 O VAL A 26 -1.178 6.887 -6.496 1.00 0.00 O ATOM 356 CB VAL A 26 1.776 5.739 -6.259 1.00 0.00 C ATOM 357 CG1 VAL A 26 1.602 4.325 -5.725 1.00 0.00 C ATOM 358 CG2 VAL A 26 3.221 5.991 -6.661 1.00 0.00 C ATOM 0 H VAL A 26 1.181 8.054 -7.431 1.00 0.00 H new ATOM 0 HA VAL A 26 1.006 5.221 -8.207 1.00 0.00 H new ATOM 0 HB VAL A 26 1.517 6.437 -5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.276 4.168 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.572 4.184 -5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.832 3.608 -6.513 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.873 5.811 -5.806 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.495 5.319 -7.474 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.332 7.024 -6.991 1.00 0.00 H new ATOM 368 N VAL A 27 -1.202 4.718 -7.092 1.00 0.00 N ATOM 369 CA VAL A 27 -2.580 4.503 -6.667 1.00 0.00 C ATOM 370 C VAL A 27 -2.676 3.353 -5.672 1.00 0.00 C ATOM 371 O VAL A 27 -2.363 2.207 -5.998 1.00 0.00 O ATOM 372 CB VAL A 27 -3.498 4.206 -7.868 1.00 0.00 C ATOM 373 CG1 VAL A 27 -4.956 4.189 -7.435 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.274 5.226 -8.974 1.00 0.00 C ATOM 0 H VAL A 27 -0.748 3.893 -7.483 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.909 5.424 -6.186 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.249 3.219 -8.258 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.589 3.978 -8.297 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.102 3.417 -6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.223 5.160 -7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.930 5.001 -9.815 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.495 6.225 -8.598 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.236 5.184 -9.303 1.00 0.00 H new ATOM 384 N VAL A 28 -3.110 3.665 -4.455 1.00 0.00 N ATOM 385 CA VAL A 28 -3.249 2.656 -3.411 1.00 0.00 C ATOM 386 C VAL A 28 -4.716 2.332 -3.151 1.00 0.00 C ATOM 387 O VAL A 28 -5.608 3.080 -3.551 1.00 0.00 O ATOM 388 CB VAL A 28 -2.595 3.118 -2.095 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.125 3.440 -2.312 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.335 4.320 -1.526 1.00 0.00 C ATOM 0 H VAL A 28 -3.371 4.608 -4.168 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.740 1.760 -3.766 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.660 2.304 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.681 3.764 -1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.607 2.551 -2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.032 4.236 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.860 4.633 -0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.304 5.140 -2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.372 4.049 -1.330 1.00 0.00 H new ATOM 400 N VAL A 29 -4.958 1.212 -2.478 1.00 0.00 N ATOM 401 CA VAL A 29 -6.318 0.789 -2.162 1.00 0.00 C ATOM 402 C VAL A 29 -6.419 0.290 -0.725 1.00 0.00 C ATOM 403 O VAL A 29 -5.666 -0.591 -0.308 1.00 0.00 O ATOM 404 CB VAL A 29 -6.794 -0.323 -3.115 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.220 -0.737 -2.783 1.00 0.00 C ATOM 406 CG2 VAL A 29 -6.686 0.133 -4.562 1.00 0.00 C ATOM 0 H VAL A 29 -4.231 0.581 -2.141 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.958 1.662 -2.285 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.149 -1.191 -2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.539 -1.524 -3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.262 -1.107 -1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.882 0.123 -2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.027 -0.665 -5.221 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.306 1.017 -4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.648 0.375 -4.791 1.00 0.00 H new ATOM 416 N LEU A 30 -7.353 0.859 0.028 1.00 0.00 N ATOM 417 CA LEU A 30 -7.554 0.472 1.420 1.00 0.00 C ATOM 418 C LEU A 30 -8.453 -0.756 1.520 1.00 0.00 C ATOM 419 O LEU A 30 -9.618 -0.719 1.125 1.00 0.00 O ATOM 420 CB LEU A 30 -8.166 1.631 2.209 1.00 0.00 C ATOM 421 CG LEU A 30 -7.317 2.899 2.307 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.089 4.006 3.008 1.00 0.00 C ATOM 423 CD2 LEU A 30 -6.013 2.612 3.036 1.00 0.00 C ATOM 0 H LEU A 30 -7.983 1.590 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.582 0.223 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.121 1.891 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.381 1.283 3.219 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.080 3.233 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.469 4.900 3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.995 4.230 2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.357 3.682 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.421 3.525 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.230 2.253 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.452 1.852 2.492 1.00 0.00 H new ATOM 435 N SER A 31 -7.903 -1.844 2.051 1.00 0.00 N ATOM 436 CA SER A 31 -8.654 -3.085 2.201 1.00 0.00 C ATOM 437 C SER A 31 -8.492 -3.651 3.608 1.00 0.00 C ATOM 438 O SER A 31 -7.393 -3.665 4.161 1.00 0.00 O ATOM 439 CB SER A 31 -8.192 -4.114 1.168 1.00 0.00 C ATOM 440 OG SER A 31 -8.602 -5.421 1.531 1.00 0.00 O ATOM 0 H SER A 31 -6.940 -1.891 2.384 1.00 0.00 H new ATOM 0 HA SER A 31 -9.709 -2.865 2.036 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.600 -3.860 0.190 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.106 -4.082 1.079 1.00 0.00 H new ATOM 0 HG SER A 31 -7.814 -5.993 1.639 1.00 0.00 H new ATOM 446 N GLY A 32 -9.596 -4.118 4.183 1.00 0.00 N ATOM 447 CA GLY A 32 -9.556 -4.680 5.520 1.00 0.00 C ATOM 448 C GLY A 32 -9.245 -3.639 6.577 1.00 0.00 C ATOM 449 O GLY A 32 -8.532 -3.916 7.542 1.00 0.00 O ATOM 0 H GLY A 32 -10.518 -4.117 3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.516 -5.145 5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.803 -5.468 5.557 1.00 0.00 H new ATOM 453 N PHE A 33 -9.780 -2.435 6.395 1.00 0.00 N ATOM 454 CA PHE A 33 -9.553 -1.348 7.340 1.00 0.00 C ATOM 455 C PHE A 33 -10.872 -0.856 7.929 1.00 0.00 C ATOM 456 O PHE A 33 -11.883 -0.775 7.232 1.00 0.00 O ATOM 457 CB PHE A 33 -8.826 -0.190 6.652 1.00 0.00 C ATOM 458 CG PHE A 33 -7.411 -0.514 6.268 1.00 0.00 C ATOM 459 CD1 PHE A 33 -6.397 -0.478 7.211 1.00 0.00 C ATOM 460 CD2 PHE A 33 -7.095 -0.855 4.963 1.00 0.00 C ATOM 461 CE1 PHE A 33 -5.094 -0.777 6.861 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.793 -1.155 4.607 1.00 0.00 C ATOM 463 CZ PHE A 33 -4.791 -1.114 5.557 1.00 0.00 C ATOM 0 H PHE A 33 -10.373 -2.188 5.603 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.932 -1.728 8.151 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.380 0.096 5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.825 0.674 7.317 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.628 -0.213 8.232 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.874 -0.887 4.216 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.314 -0.747 7.607 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.560 -1.421 3.587 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.773 -1.345 5.280 1.00 0.00 H new ATOM 473 N GLN A 34 -10.852 -0.531 9.218 1.00 0.00 N ATOM 474 CA GLN A 34 -12.046 -0.049 9.902 1.00 0.00 C ATOM 475 C GLN A 34 -11.774 1.279 10.602 1.00 0.00 C ATOM 476 O GLN A 34 -10.855 1.387 11.412 1.00 0.00 O ATOM 477 CB GLN A 34 -12.530 -1.085 10.918 1.00 0.00 C ATOM 478 CG GLN A 34 -11.430 -1.603 11.830 1.00 0.00 C ATOM 479 CD GLN A 34 -11.894 -2.744 12.714 1.00 0.00 C ATOM 480 OE1 GLN A 34 -12.741 -3.546 12.319 1.00 0.00 O ATOM 481 NE2 GLN A 34 -11.339 -2.825 13.918 1.00 0.00 N ATOM 0 H GLN A 34 -10.023 -0.593 9.809 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.824 0.108 9.155 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.318 -0.643 11.528 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.974 -1.925 10.384 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.588 -1.937 11.224 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.068 -0.787 12.456 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.641 -2.139 14.205 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.611 -3.573 14.556 1.00 0.00 H new ATOM 490 N ASN A 35 -12.580 2.286 10.283 1.00 0.00 N ATOM 491 CA ASN A 35 -12.426 3.607 10.880 1.00 0.00 C ATOM 492 C ASN A 35 -12.363 3.512 12.402 1.00 0.00 C ATOM 493 O ASN A 35 -12.884 2.578 13.012 1.00 0.00 O ATOM 494 CB ASN A 35 -13.582 4.518 10.462 1.00 0.00 C ATOM 495 CG ASN A 35 -14.746 4.458 11.433 1.00 0.00 C ATOM 496 OD1 ASN A 35 -14.644 4.917 12.570 1.00 0.00 O ATOM 497 ND2 ASN A 35 -15.859 3.889 10.986 1.00 0.00 N ATOM 0 H ASN A 35 -13.347 2.212 9.614 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.489 4.033 10.521 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.224 5.545 10.391 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.926 4.231 9.468 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.675 3.819 11.593 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.898 3.522 10.035 1.00 0.00 H new ATOM 504 N PRO A 36 -11.712 4.502 13.030 1.00 0.00 N ATOM 505 CA PRO A 36 -11.087 5.618 12.314 1.00 0.00 C ATOM 506 C PRO A 36 -9.861 5.184 11.518 1.00 0.00 C ATOM 507 O PRO A 36 -9.497 5.815 10.526 1.00 0.00 O ATOM 508 CB PRO A 36 -10.684 6.578 13.436 1.00 0.00 C ATOM 509 CG PRO A 36 -10.524 5.711 14.637 1.00 0.00 C ATOM 510 CD PRO A 36 -11.533 4.607 14.488 1.00 0.00 C ATOM 0 HA PRO A 36 -11.761 6.058 11.579 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.757 7.099 13.197 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.446 7.341 13.597 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.512 5.310 14.697 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.697 6.277 15.553 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.172 3.672 14.917 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.469 4.848 14.991 1.00 0.00 H new ATOM 518 N PHE A 37 -9.228 4.102 11.959 1.00 0.00 N ATOM 519 CA PHE A 37 -8.042 3.583 11.288 1.00 0.00 C ATOM 520 C PHE A 37 -8.138 3.788 9.779 1.00 0.00 C ATOM 521 O PHE A 37 -7.271 4.415 9.171 1.00 0.00 O ATOM 522 CB PHE A 37 -7.862 2.097 11.602 1.00 0.00 C ATOM 523 CG PHE A 37 -6.478 1.587 11.316 1.00 0.00 C ATOM 524 CD1 PHE A 37 -5.364 2.290 11.746 1.00 0.00 C ATOM 525 CD2 PHE A 37 -6.291 0.406 10.617 1.00 0.00 C ATOM 526 CE1 PHE A 37 -4.090 1.824 11.483 1.00 0.00 C ATOM 527 CE2 PHE A 37 -5.020 -0.066 10.351 1.00 0.00 C ATOM 528 CZ PHE A 37 -3.917 0.644 10.786 1.00 0.00 C ATOM 0 H PHE A 37 -9.517 3.567 12.778 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.176 4.132 11.657 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -8.094 1.925 12.653 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.581 1.521 11.019 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.493 3.212 12.293 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.150 -0.153 10.276 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.230 2.382 11.822 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.889 -0.988 9.804 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.922 0.277 10.581 1.00 0.00 H new ATOM 538 N ARG A 38 -9.198 3.252 9.182 1.00 0.00 N ATOM 539 CA ARG A 38 -9.407 3.374 7.744 1.00 0.00 C ATOM 540 C ARG A 38 -9.282 4.828 7.297 1.00 0.00 C ATOM 541 O ARG A 38 -8.680 5.121 6.264 1.00 0.00 O ATOM 542 CB ARG A 38 -10.783 2.828 7.359 1.00 0.00 C ATOM 543 CG ARG A 38 -11.153 3.079 5.907 1.00 0.00 C ATOM 544 CD ARG A 38 -12.469 2.407 5.543 1.00 0.00 C ATOM 545 NE ARG A 38 -12.293 0.991 5.234 1.00 0.00 N ATOM 546 CZ ARG A 38 -13.169 0.276 4.537 1.00 0.00 C ATOM 547 NH1 ARG A 38 -14.277 0.843 4.079 1.00 0.00 N ATOM 548 NH2 ARG A 38 -12.939 -1.008 4.296 1.00 0.00 N ATOM 0 H ARG A 38 -9.925 2.730 9.671 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.637 2.790 7.240 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.805 1.755 7.551 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.538 3.282 8.001 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.230 4.152 5.730 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.361 2.705 5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.171 2.513 6.370 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.909 2.913 4.684 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.451 0.525 5.572 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.458 1.830 4.262 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.948 0.292 3.544 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.088 -1.448 4.646 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.613 -1.555 3.761 1.00 0.00 H new ATOM 562 N SER A 39 -9.855 5.734 8.083 1.00 0.00 N ATOM 563 CA SER A 39 -9.812 7.157 7.766 1.00 0.00 C ATOM 564 C SER A 39 -8.390 7.698 7.889 1.00 0.00 C ATOM 565 O SER A 39 -7.835 8.236 6.932 1.00 0.00 O ATOM 566 CB SER A 39 -10.747 7.936 8.693 1.00 0.00 C ATOM 567 OG SER A 39 -12.091 7.517 8.529 1.00 0.00 O ATOM 0 H SER A 39 -10.354 5.508 8.943 1.00 0.00 H new ATOM 0 HA SER A 39 -10.144 7.285 6.736 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.441 7.791 9.729 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.667 9.003 8.483 1.00 0.00 H new ATOM 0 HG SER A 39 -12.669 8.028 9.133 1.00 0.00 H new ATOM 573 N GLU A 40 -7.808 7.550 9.075 1.00 0.00 N ATOM 574 CA GLU A 40 -6.451 8.024 9.323 1.00 0.00 C ATOM 575 C GLU A 40 -5.495 7.528 8.242 1.00 0.00 C ATOM 576 O GLU A 40 -4.734 8.307 7.667 1.00 0.00 O ATOM 577 CB GLU A 40 -5.969 7.559 10.699 1.00 0.00 C ATOM 578 CG GLU A 40 -4.546 7.985 11.021 1.00 0.00 C ATOM 579 CD GLU A 40 -4.307 8.140 12.510 1.00 0.00 C ATOM 580 OE1 GLU A 40 -4.808 9.125 13.091 1.00 0.00 O ATOM 581 OE2 GLU A 40 -3.618 7.278 13.094 1.00 0.00 O ATOM 0 H GLU A 40 -8.254 7.106 9.878 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.464 9.114 9.299 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.639 7.954 11.462 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.034 6.472 10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.850 7.248 10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.332 8.930 10.522 1.00 0.00 H new ATOM 588 N LEU A 41 -5.539 6.229 7.972 1.00 0.00 N ATOM 589 CA LEU A 41 -4.677 5.627 6.961 1.00 0.00 C ATOM 590 C LEU A 41 -4.886 6.291 5.603 1.00 0.00 C ATOM 591 O LEU A 41 -3.927 6.563 4.881 1.00 0.00 O ATOM 592 CB LEU A 41 -4.951 4.126 6.855 1.00 0.00 C ATOM 593 CG LEU A 41 -4.055 3.346 5.893 1.00 0.00 C ATOM 594 CD1 LEU A 41 -2.589 3.635 6.177 1.00 0.00 C ATOM 595 CD2 LEU A 41 -4.336 1.854 5.994 1.00 0.00 C ATOM 0 H LEU A 41 -6.163 5.571 8.439 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.641 5.779 7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.852 3.688 7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.988 3.987 6.548 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.277 3.669 4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.966 3.071 5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.398 4.701 6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.351 3.340 7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.689 1.314 5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.142 1.515 7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.379 1.662 5.741 1.00 0.00 H new ATOM 607 N ARG A 42 -6.144 6.550 5.264 1.00 0.00 N ATOM 608 CA ARG A 42 -6.479 7.183 3.994 1.00 0.00 C ATOM 609 C ARG A 42 -5.763 8.522 3.849 1.00 0.00 C ATOM 610 O ARG A 42 -4.982 8.722 2.918 1.00 0.00 O ATOM 611 CB ARG A 42 -7.991 7.386 3.884 1.00 0.00 C ATOM 612 CG ARG A 42 -8.436 7.927 2.535 1.00 0.00 C ATOM 613 CD ARG A 42 -9.743 8.696 2.647 1.00 0.00 C ATOM 614 NE ARG A 42 -10.057 9.423 1.420 1.00 0.00 N ATOM 615 CZ ARG A 42 -11.195 10.080 1.225 1.00 0.00 C ATOM 616 NH1 ARG A 42 -12.122 10.101 2.173 1.00 0.00 N ATOM 617 NH2 ARG A 42 -11.408 10.717 0.081 1.00 0.00 N ATOM 0 H ARG A 42 -6.949 6.331 5.851 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.149 6.525 3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.491 6.435 4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.315 8.073 4.666 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.662 8.579 2.130 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.557 7.102 1.833 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.553 8.003 2.875 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.680 9.398 3.478 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.364 9.427 0.671 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.962 9.612 3.054 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.995 10.606 2.021 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.697 10.703 -0.651 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.282 11.221 -0.067 1.00 0.00 H new ATOM 631 N ASP A 43 -6.035 9.436 4.774 1.00 0.00 N ATOM 632 CA ASP A 43 -5.416 10.756 4.750 1.00 0.00 C ATOM 633 C ASP A 43 -3.924 10.652 4.448 1.00 0.00 C ATOM 634 O ASP A 43 -3.426 11.265 3.503 1.00 0.00 O ATOM 635 CB ASP A 43 -5.630 11.468 6.086 1.00 0.00 C ATOM 636 CG ASP A 43 -5.574 12.977 5.954 1.00 0.00 C ATOM 637 OD1 ASP A 43 -6.534 13.561 5.409 1.00 0.00 O ATOM 638 OD2 ASP A 43 -4.570 13.575 6.394 1.00 0.00 O ATOM 0 H ASP A 43 -6.680 9.287 5.550 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.889 11.337 3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.597 11.178 6.498 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.870 11.140 6.795 1.00 0.00 H new ATOM 643 N LYS A 44 -3.215 9.873 5.258 1.00 0.00 N ATOM 644 CA LYS A 44 -1.780 9.688 5.079 1.00 0.00 C ATOM 645 C LYS A 44 -1.457 9.296 3.641 1.00 0.00 C ATOM 646 O LYS A 44 -0.531 9.834 3.034 1.00 0.00 O ATOM 647 CB LYS A 44 -1.260 8.616 6.040 1.00 0.00 C ATOM 648 CG LYS A 44 -1.071 9.113 7.462 1.00 0.00 C ATOM 649 CD LYS A 44 -0.732 7.975 8.411 1.00 0.00 C ATOM 650 CE LYS A 44 -0.464 8.484 9.818 1.00 0.00 C ATOM 651 NZ LYS A 44 0.170 7.443 10.673 1.00 0.00 N ATOM 0 H LYS A 44 -3.611 9.359 6.045 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.287 10.635 5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.957 7.778 6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.308 8.237 5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.275 9.857 7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.981 9.610 7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.555 7.260 8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.144 7.442 8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.184 9.359 9.770 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.401 8.806 10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.337 7.829 11.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.459 6.618 10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.077 7.154 10.253 1.00 0.00 H new ATOM 665 N ALA A 45 -2.228 8.358 3.100 1.00 0.00 N ATOM 666 CA ALA A 45 -2.025 7.898 1.732 1.00 0.00 C ATOM 667 C ALA A 45 -2.227 9.035 0.735 1.00 0.00 C ATOM 668 O ALA A 45 -1.615 9.053 -0.333 1.00 0.00 O ATOM 669 CB ALA A 45 -2.967 6.745 1.418 1.00 0.00 C ATOM 0 H ALA A 45 -2.999 7.902 3.588 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.997 7.548 1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.805 6.411 0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.773 5.920 2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.999 7.077 1.532 1.00 0.00 H new ATOM 675 N LEU A 46 -3.090 9.981 1.091 1.00 0.00 N ATOM 676 CA LEU A 46 -3.373 11.121 0.226 1.00 0.00 C ATOM 677 C LEU A 46 -2.200 12.095 0.208 1.00 0.00 C ATOM 678 O LEU A 46 -1.815 12.597 -0.847 1.00 0.00 O ATOM 679 CB LEU A 46 -4.640 11.839 0.696 1.00 0.00 C ATOM 680 CG LEU A 46 -5.910 10.989 0.757 1.00 0.00 C ATOM 681 CD1 LEU A 46 -6.993 11.705 1.548 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.400 10.661 -0.645 1.00 0.00 C ATOM 0 H LEU A 46 -3.605 9.981 1.971 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.527 10.749 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.454 12.250 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.823 12.683 0.031 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.675 10.054 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.889 11.086 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.641 11.888 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.226 12.655 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.304 10.056 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.619 11.585 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.629 10.106 -1.180 1.00 0.00 H new ATOM 694 N GLU A 47 -1.635 12.356 1.383 1.00 0.00 N ATOM 695 CA GLU A 47 -0.504 13.269 1.501 1.00 0.00 C ATOM 696 C GLU A 47 0.600 12.897 0.515 1.00 0.00 C ATOM 697 O GLU A 47 1.078 13.739 -0.246 1.00 0.00 O ATOM 698 CB GLU A 47 0.045 13.255 2.929 1.00 0.00 C ATOM 699 CG GLU A 47 -0.605 14.281 3.841 1.00 0.00 C ATOM 700 CD GLU A 47 -0.704 15.652 3.201 1.00 0.00 C ATOM 701 OE1 GLU A 47 0.351 16.216 2.844 1.00 0.00 O ATOM 702 OE2 GLU A 47 -1.836 16.160 3.057 1.00 0.00 O ATOM 0 H GLU A 47 -1.942 11.948 2.266 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.855 14.274 1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.097 12.262 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.119 13.438 2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.603 13.939 4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.031 14.356 4.764 1.00 0.00 H new ATOM 709 N LEU A 48 1.001 11.631 0.536 1.00 0.00 N ATOM 710 CA LEU A 48 2.049 11.146 -0.355 1.00 0.00 C ATOM 711 C LEU A 48 1.699 11.426 -1.813 1.00 0.00 C ATOM 712 O LEU A 48 2.565 11.406 -2.686 1.00 0.00 O ATOM 713 CB LEU A 48 2.266 9.646 -0.150 1.00 0.00 C ATOM 714 CG LEU A 48 2.624 9.207 1.270 1.00 0.00 C ATOM 715 CD1 LEU A 48 2.370 7.718 1.449 1.00 0.00 C ATOM 716 CD2 LEU A 48 4.075 9.544 1.583 1.00 0.00 C ATOM 0 H LEU A 48 0.616 10.922 1.160 1.00 0.00 H new ATOM 0 HA LEU A 48 2.970 11.677 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.358 9.123 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.060 9.319 -0.821 1.00 0.00 H new ATOM 0 HG LEU A 48 1.987 9.750 1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.631 7.424 2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.317 7.504 1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.981 7.157 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.312 9.224 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.728 9.029 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.225 10.620 1.497 1.00 0.00 H new ATOM 728 N GLY A 49 0.421 11.690 -2.068 1.00 0.00 N ATOM 729 CA GLY A 49 -0.022 11.974 -3.421 1.00 0.00 C ATOM 730 C GLY A 49 -0.574 10.747 -4.119 1.00 0.00 C ATOM 731 O GLY A 49 -0.637 10.699 -5.347 1.00 0.00 O ATOM 0 H GLY A 49 -0.315 11.712 -1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.788 12.749 -3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.813 12.372 -3.998 1.00 0.00 H new ATOM 735 N ALA A 50 -0.973 9.751 -3.335 1.00 0.00 N ATOM 736 CA ALA A 50 -1.522 8.518 -3.885 1.00 0.00 C ATOM 737 C ALA A 50 -3.043 8.590 -3.983 1.00 0.00 C ATOM 738 O ALA A 50 -3.694 9.282 -3.200 1.00 0.00 O ATOM 739 CB ALA A 50 -1.102 7.327 -3.036 1.00 0.00 C ATOM 0 H ALA A 50 -0.926 9.774 -2.316 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.124 8.390 -4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.520 6.413 -3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.014 7.256 -3.021 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.471 7.457 -2.019 1.00 0.00 H new ATOM 745 N LYS A 51 -3.603 7.871 -4.950 1.00 0.00 N ATOM 746 CA LYS A 51 -5.047 7.852 -5.151 1.00 0.00 C ATOM 747 C LYS A 51 -5.688 6.699 -4.386 1.00 0.00 C ATOM 748 O LYS A 51 -5.311 5.540 -4.560 1.00 0.00 O ATOM 749 CB LYS A 51 -5.374 7.734 -6.641 1.00 0.00 C ATOM 750 CG LYS A 51 -5.199 9.033 -7.408 1.00 0.00 C ATOM 751 CD LYS A 51 -3.749 9.257 -7.803 1.00 0.00 C ATOM 752 CE LYS A 51 -3.636 10.149 -9.029 1.00 0.00 C ATOM 753 NZ LYS A 51 -4.079 9.448 -10.267 1.00 0.00 N ATOM 0 H LYS A 51 -3.078 7.294 -5.607 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.454 8.788 -4.769 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.735 6.971 -7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.403 7.392 -6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.822 9.015 -8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.543 9.867 -6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.210 9.711 -6.971 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.274 8.297 -8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.239 11.045 -8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.603 10.476 -9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.728 9.961 -11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.701 8.479 -10.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.118 9.414 -10.294 1.00 0.00 H new ATOM 767 N TYR A 52 -6.659 7.023 -3.539 1.00 0.00 N ATOM 768 CA TYR A 52 -7.351 6.014 -2.747 1.00 0.00 C ATOM 769 C TYR A 52 -8.632 5.561 -3.441 1.00 0.00 C ATOM 770 O TYR A 52 -9.582 6.332 -3.579 1.00 0.00 O ATOM 771 CB TYR A 52 -7.677 6.562 -1.357 1.00 0.00 C ATOM 772 CG TYR A 52 -8.904 5.938 -0.732 1.00 0.00 C ATOM 773 CD1 TYR A 52 -9.013 4.559 -0.595 1.00 0.00 C ATOM 774 CD2 TYR A 52 -9.955 6.726 -0.278 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.133 3.984 -0.025 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.078 6.160 0.294 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.162 4.789 0.418 1.00 0.00 C ATOM 778 OH TYR A 52 -12.278 4.220 0.987 1.00 0.00 O ATOM 0 H TYR A 52 -6.984 7.977 -3.384 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.691 5.153 -2.645 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.822 6.397 -0.701 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.823 7.640 -1.426 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.209 3.926 -0.940 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.893 7.800 -0.374 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.202 2.911 0.073 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -11.885 6.787 0.642 1.00 0.00 H new ATOM 0 HH TYR A 52 -12.908 4.924 1.247 1.00 0.00 H new ATOM 788 N ARG A 53 -8.650 4.305 -3.875 1.00 0.00 N ATOM 789 CA ARG A 53 -9.813 3.748 -4.555 1.00 0.00 C ATOM 790 C ARG A 53 -10.560 2.776 -3.646 1.00 0.00 C ATOM 791 O ARG A 53 -9.964 2.040 -2.860 1.00 0.00 O ATOM 792 CB ARG A 53 -9.386 3.035 -5.839 1.00 0.00 C ATOM 793 CG ARG A 53 -8.829 3.972 -6.899 1.00 0.00 C ATOM 794 CD ARG A 53 -9.939 4.592 -7.734 1.00 0.00 C ATOM 795 NE ARG A 53 -10.479 5.800 -7.116 1.00 0.00 N ATOM 796 CZ ARG A 53 -9.920 6.999 -7.234 1.00 0.00 C ATOM 797 NH1 ARG A 53 -8.810 7.149 -7.943 1.00 0.00 N ATOM 798 NH2 ARG A 53 -10.472 8.051 -6.642 1.00 0.00 N ATOM 0 H ARG A 53 -7.872 3.654 -3.768 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.483 4.570 -4.809 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.632 2.286 -5.595 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.243 2.502 -6.251 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.249 4.761 -6.420 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.147 3.424 -7.549 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.556 4.832 -8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.740 3.865 -7.870 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.332 5.718 -6.563 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.383 6.343 -8.399 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.383 8.071 -8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.326 7.939 -6.096 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.042 8.971 -6.733 1.00 0.00 H new ATOM 812 N PRO A 54 -11.897 2.774 -3.754 1.00 0.00 N ATOM 813 CA PRO A 54 -12.755 1.898 -2.950 1.00 0.00 C ATOM 814 C PRO A 54 -12.622 0.432 -3.349 1.00 0.00 C ATOM 815 O PRO A 54 -12.863 -0.465 -2.541 1.00 0.00 O ATOM 816 CB PRO A 54 -14.166 2.408 -3.253 1.00 0.00 C ATOM 817 CG PRO A 54 -14.059 3.043 -4.596 1.00 0.00 C ATOM 818 CD PRO A 54 -12.674 3.625 -4.670 1.00 0.00 C ATOM 0 HA PRO A 54 -12.493 1.930 -1.892 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -14.889 1.593 -3.257 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.498 3.125 -2.502 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.217 2.311 -5.388 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.815 3.818 -4.723 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.277 3.590 -5.685 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.660 4.669 -4.358 1.00 0.00 H new ATOM 826 N ASP A 55 -12.236 0.196 -4.597 1.00 0.00 N ATOM 827 CA ASP A 55 -12.069 -1.162 -5.102 1.00 0.00 C ATOM 828 C ASP A 55 -10.841 -1.261 -6.002 1.00 0.00 C ATOM 829 O ASP A 55 -10.397 -0.265 -6.574 1.00 0.00 O ATOM 830 CB ASP A 55 -13.316 -1.600 -5.871 1.00 0.00 C ATOM 831 CG ASP A 55 -14.478 -1.925 -4.953 1.00 0.00 C ATOM 832 OD1 ASP A 55 -14.341 -2.853 -4.128 1.00 0.00 O ATOM 833 OD2 ASP A 55 -15.525 -1.252 -5.060 1.00 0.00 O ATOM 0 H ASP A 55 -12.033 0.927 -5.278 1.00 0.00 H new ATOM 0 HA ASP A 55 -11.926 -1.825 -4.249 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.611 -0.808 -6.560 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.078 -2.476 -6.475 1.00 0.00 H new ATOM 838 N TRP A 56 -10.297 -2.466 -6.121 1.00 0.00 N ATOM 839 CA TRP A 56 -9.119 -2.694 -6.950 1.00 0.00 C ATOM 840 C TRP A 56 -9.413 -2.378 -8.413 1.00 0.00 C ATOM 841 O TRP A 56 -9.828 -3.251 -9.176 1.00 0.00 O ATOM 842 CB TRP A 56 -8.646 -4.142 -6.814 1.00 0.00 C ATOM 843 CG TRP A 56 -7.384 -4.429 -7.570 1.00 0.00 C ATOM 844 CD1 TRP A 56 -7.260 -5.184 -8.702 1.00 0.00 C ATOM 845 CD2 TRP A 56 -6.068 -3.966 -7.248 1.00 0.00 C ATOM 846 NE1 TRP A 56 -5.946 -5.219 -9.102 1.00 0.00 N ATOM 847 CE2 TRP A 56 -5.195 -4.479 -8.228 1.00 0.00 C ATOM 848 CE3 TRP A 56 -5.542 -3.167 -6.229 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -3.827 -4.218 -8.215 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -4.185 -2.910 -6.218 1.00 0.00 C ATOM 851 CH2 TRP A 56 -3.340 -3.433 -7.206 1.00 0.00 C ATOM 0 H TRP A 56 -10.652 -3.300 -5.654 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.329 -2.027 -6.605 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.488 -4.367 -5.759 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.433 -4.808 -7.168 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.075 -5.680 -9.208 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.588 -5.716 -9.918 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.185 -2.758 -5.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.174 -4.621 -8.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -3.768 -2.295 -5.434 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.283 -3.212 -7.170 1.00 0.00 H new ATOM 862 N THR A 57 -9.196 -1.124 -8.798 1.00 0.00 N ATOM 863 CA THR A 57 -9.439 -0.693 -10.169 1.00 0.00 C ATOM 864 C THR A 57 -8.248 -1.013 -11.065 1.00 0.00 C ATOM 865 O THR A 57 -7.128 -1.189 -10.586 1.00 0.00 O ATOM 866 CB THR A 57 -9.730 0.818 -10.240 1.00 0.00 C ATOM 867 OG1 THR A 57 -9.671 1.265 -11.599 1.00 0.00 O ATOM 868 CG2 THR A 57 -8.732 1.601 -9.399 1.00 0.00 C ATOM 0 H THR A 57 -8.852 -0.389 -8.179 1.00 0.00 H new ATOM 0 HA THR A 57 -10.313 -1.240 -10.522 1.00 0.00 H new ATOM 0 HB THR A 57 -10.731 0.992 -9.844 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.096 2.057 -11.658 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.957 2.665 -9.464 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.800 1.279 -8.360 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.723 1.420 -9.770 1.00 0.00 H new ATOM 876 N ARG A 58 -8.497 -1.084 -12.369 1.00 0.00 N ATOM 877 CA ARG A 58 -7.444 -1.383 -13.332 1.00 0.00 C ATOM 878 C ARG A 58 -6.336 -0.336 -13.268 1.00 0.00 C ATOM 879 O ARG A 58 -5.250 -0.532 -13.815 1.00 0.00 O ATOM 880 CB ARG A 58 -8.021 -1.445 -14.748 1.00 0.00 C ATOM 881 CG ARG A 58 -7.092 -2.101 -15.756 1.00 0.00 C ATOM 882 CD ARG A 58 -7.376 -1.621 -17.170 1.00 0.00 C ATOM 883 NE ARG A 58 -8.426 -2.406 -17.814 1.00 0.00 N ATOM 884 CZ ARG A 58 -8.225 -3.608 -18.342 1.00 0.00 C ATOM 885 NH1 ARG A 58 -7.021 -4.161 -18.301 1.00 0.00 N ATOM 886 NH2 ARG A 58 -9.231 -4.260 -18.911 1.00 0.00 N ATOM 0 H ARG A 58 -9.418 -0.939 -12.782 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.018 -2.354 -13.078 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.963 -1.994 -14.724 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.250 -0.433 -15.083 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.057 -1.879 -15.496 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.208 -3.184 -15.708 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.672 -0.572 -17.144 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.463 -1.680 -17.763 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.365 -2.010 -17.861 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.246 -3.663 -17.863 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.870 -5.084 -18.707 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.159 -3.838 -18.943 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.076 -5.183 -19.316 1.00 0.00 H new ATOM 900 N ASP A 59 -6.617 0.775 -12.598 1.00 0.00 N ATOM 901 CA ASP A 59 -5.645 1.854 -12.462 1.00 0.00 C ATOM 902 C ASP A 59 -4.781 1.653 -11.220 1.00 0.00 C ATOM 903 O ASP A 59 -3.666 2.167 -11.138 1.00 0.00 O ATOM 904 CB ASP A 59 -6.356 3.205 -12.390 1.00 0.00 C ATOM 905 CG ASP A 59 -7.446 3.342 -13.435 1.00 0.00 C ATOM 906 OD1 ASP A 59 -8.582 2.896 -13.169 1.00 0.00 O ATOM 907 OD2 ASP A 59 -7.163 3.894 -14.520 1.00 0.00 O ATOM 0 H ASP A 59 -7.511 0.953 -12.140 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.999 1.840 -13.339 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.790 3.332 -11.398 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.626 4.004 -12.523 1.00 0.00 H new ATOM 912 N SER A 60 -5.305 0.903 -10.256 1.00 0.00 N ATOM 913 CA SER A 60 -4.584 0.639 -9.016 1.00 0.00 C ATOM 914 C SER A 60 -3.240 -0.024 -9.300 1.00 0.00 C ATOM 915 O SER A 60 -3.155 -0.975 -10.078 1.00 0.00 O ATOM 916 CB SER A 60 -5.421 -0.252 -8.096 1.00 0.00 C ATOM 917 OG SER A 60 -6.317 0.520 -7.315 1.00 0.00 O ATOM 0 H SER A 60 -6.226 0.468 -10.310 1.00 0.00 H new ATOM 0 HA SER A 60 -4.401 1.592 -8.520 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.981 -0.972 -8.693 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.763 -0.824 -7.442 1.00 0.00 H new ATOM 0 HG SER A 60 -5.828 1.252 -6.885 1.00 0.00 H new ATOM 923 N THR A 61 -2.190 0.486 -8.664 1.00 0.00 N ATOM 924 CA THR A 61 -0.849 -0.054 -8.849 1.00 0.00 C ATOM 925 C THR A 61 -0.398 -0.837 -7.621 1.00 0.00 C ATOM 926 O THR A 61 0.245 -1.875 -7.771 1.00 0.00 O ATOM 927 CB THR A 61 0.173 1.063 -9.134 1.00 0.00 C ATOM 928 OG1 THR A 61 0.491 1.758 -7.923 1.00 0.00 O ATOM 929 CG2 THR A 61 -0.373 2.046 -10.160 1.00 0.00 C ATOM 0 H THR A 61 -2.243 1.272 -8.016 1.00 0.00 H new ATOM 0 HA THR A 61 -0.894 -0.723 -9.708 1.00 0.00 H new ATOM 0 HB THR A 61 1.076 0.605 -9.537 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.132 1.230 -7.402 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.366 2.826 -10.346 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.587 1.520 -11.090 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.289 2.497 -9.780 1.00 0.00 H new ATOM 937 N HIS A 62 -0.740 -0.330 -6.445 1.00 0.00 N ATOM 938 CA HIS A 62 -0.365 -0.992 -5.207 1.00 0.00 C ATOM 939 C HIS A 62 -1.612 -1.223 -4.351 1.00 0.00 C ATOM 940 O HIS A 62 -2.519 -0.393 -4.280 1.00 0.00 O ATOM 941 CB HIS A 62 0.719 -0.199 -4.474 1.00 0.00 C ATOM 942 CG HIS A 62 2.009 -0.063 -5.246 1.00 0.00 C ATOM 943 ND1 HIS A 62 2.210 0.916 -6.204 1.00 0.00 N ATOM 944 CD2 HIS A 62 3.161 -0.791 -5.193 1.00 0.00 C ATOM 945 CE1 HIS A 62 3.431 0.774 -6.698 1.00 0.00 C ATOM 946 NE2 HIS A 62 4.018 -0.285 -6.070 1.00 0.00 N ATOM 0 H HIS A 62 -1.273 0.531 -6.324 1.00 0.00 H new ATOM 0 HA HIS A 62 0.067 -1.968 -5.428 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.336 0.796 -4.248 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.928 -0.684 -3.521 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.344 -1.636 -4.546 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.882 1.388 -7.463 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.961 -0.631 -6.246 1.00 0.00 H new ATOM 954 N LEU A 63 -1.637 -2.379 -3.697 1.00 0.00 N ATOM 955 CA LEU A 63 -2.757 -2.749 -2.839 1.00 0.00 C ATOM 956 C LEU A 63 -2.341 -2.750 -1.371 1.00 0.00 C ATOM 957 O LEU A 63 -1.294 -3.291 -1.014 1.00 0.00 O ATOM 958 CB LEU A 63 -3.293 -4.127 -3.230 1.00 0.00 C ATOM 959 CG LEU A 63 -4.115 -4.855 -2.167 1.00 0.00 C ATOM 960 CD1 LEU A 63 -5.514 -4.264 -2.077 1.00 0.00 C ATOM 961 CD2 LEU A 63 -4.182 -6.344 -2.470 1.00 0.00 C ATOM 0 H LEU A 63 -0.894 -3.076 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.545 -2.009 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.909 -4.015 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.448 -4.759 -3.503 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.624 -4.723 -1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.085 -4.795 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.447 -3.209 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.014 -4.364 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.771 -6.845 -1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.649 -6.497 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.174 -6.759 -2.482 1.00 0.00 H new ATOM 973 N ILE A 64 -3.168 -2.144 -0.527 1.00 0.00 N ATOM 974 CA ILE A 64 -2.888 -2.079 0.902 1.00 0.00 C ATOM 975 C ILE A 64 -3.739 -3.080 1.676 1.00 0.00 C ATOM 976 O ILE A 64 -4.902 -2.813 1.984 1.00 0.00 O ATOM 977 CB ILE A 64 -3.140 -0.666 1.462 1.00 0.00 C ATOM 978 CG1 ILE A 64 -2.405 0.378 0.619 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.701 -0.586 2.916 1.00 0.00 C ATOM 980 CD1 ILE A 64 -0.900 0.229 0.650 1.00 0.00 C ATOM 0 H ILE A 64 -4.038 -1.691 -0.808 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.834 -2.328 1.028 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.209 -0.457 1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.748 0.307 -0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.671 1.373 0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.886 0.418 3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.265 -1.308 3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.637 -0.811 2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.445 1.002 0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.545 0.330 1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.624 -0.753 0.266 1.00 0.00 H new ATOM 992 N CYS A 65 -3.153 -4.230 1.989 1.00 0.00 N ATOM 993 CA CYS A 65 -3.858 -5.271 2.729 1.00 0.00 C ATOM 994 C CYS A 65 -3.578 -5.160 4.224 1.00 0.00 C ATOM 995 O CYS A 65 -2.446 -4.908 4.636 1.00 0.00 O ATOM 996 CB CYS A 65 -3.446 -6.654 2.221 1.00 0.00 C ATOM 997 SG CYS A 65 -4.649 -7.957 2.571 1.00 0.00 S ATOM 0 H CYS A 65 -2.192 -4.465 1.742 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.928 -5.137 2.568 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.287 -6.601 1.144 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.491 -6.925 2.671 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.256 -8.645 3.602 1.00 0.00 H new ATOM 1003 N ALA A 66 -4.617 -5.348 5.031 1.00 0.00 N ATOM 1004 CA ALA A 66 -4.483 -5.270 6.480 1.00 0.00 C ATOM 1005 C ALA A 66 -3.681 -6.449 7.022 1.00 0.00 C ATOM 1006 O ALA A 66 -2.865 -6.292 7.930 1.00 0.00 O ATOM 1007 CB ALA A 66 -5.855 -5.217 7.135 1.00 0.00 C ATOM 0 H ALA A 66 -5.561 -5.555 4.705 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.942 -4.355 6.721 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.739 -5.159 8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.394 -4.339 6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.416 -6.115 6.878 1.00 0.00 H new ATOM 1013 N PHE A 67 -3.920 -7.629 6.459 1.00 0.00 N ATOM 1014 CA PHE A 67 -3.221 -8.835 6.887 1.00 0.00 C ATOM 1015 C PHE A 67 -3.398 -9.957 5.868 1.00 0.00 C ATOM 1016 O PHE A 67 -4.224 -9.861 4.961 1.00 0.00 O ATOM 1017 CB PHE A 67 -3.734 -9.288 8.256 1.00 0.00 C ATOM 1018 CG PHE A 67 -5.186 -8.980 8.484 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -5.585 -7.715 8.884 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -6.152 -9.956 8.299 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -6.921 -7.428 9.095 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -7.489 -9.675 8.507 1.00 0.00 C ATOM 1023 CZ PHE A 67 -7.874 -8.410 8.907 1.00 0.00 C ATOM 0 H PHE A 67 -4.592 -7.776 5.706 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.159 -8.602 6.963 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.579 -10.362 8.356 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.142 -8.807 9.034 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.844 -6.944 9.033 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.857 -10.947 7.989 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -7.219 -6.438 9.406 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.232 -10.444 8.357 1.00 0.00 H new ATOM 0 HZ PHE A 67 -8.918 -8.189 9.072 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.615 -11.019 6.025 1.00 0.00 N ATOM 1034 CA ALA A 68 -2.685 -12.160 5.120 1.00 0.00 C ATOM 1035 C ALA A 68 -4.005 -12.907 5.281 1.00 0.00 C ATOM 1036 O ALA A 68 -4.881 -12.483 6.032 1.00 0.00 O ATOM 1037 CB ALA A 68 -1.512 -13.098 5.362 1.00 0.00 C ATOM 0 H ALA A 68 -1.925 -11.113 6.770 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.631 -11.786 4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.577 -13.945 4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.578 -12.564 5.190 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.540 -13.458 6.391 1.00 0.00 H new ATOM 1043 N ASN A 69 -4.139 -14.021 4.568 1.00 0.00 N ATOM 1044 CA ASN A 69 -5.353 -14.827 4.630 1.00 0.00 C ATOM 1045 C ASN A 69 -6.593 -13.957 4.445 1.00 0.00 C ATOM 1046 O ASN A 69 -7.579 -14.098 5.170 1.00 0.00 O ATOM 1047 CB ASN A 69 -5.431 -15.567 5.967 1.00 0.00 C ATOM 1048 CG ASN A 69 -4.751 -14.806 7.090 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -5.400 -14.086 7.848 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -3.437 -14.963 7.200 1.00 0.00 N ATOM 0 H ASN A 69 -3.422 -14.386 3.941 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.317 -15.556 3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.476 -15.734 6.226 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.967 -16.548 5.864 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.925 -14.476 7.936 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.940 -15.570 6.549 1.00 0.00 H new ATOM 1057 N THR A 70 -6.538 -13.057 3.469 1.00 0.00 N ATOM 1058 CA THR A 70 -7.655 -12.164 3.188 1.00 0.00 C ATOM 1059 C THR A 70 -8.193 -12.383 1.778 1.00 0.00 C ATOM 1060 O THR A 70 -7.508 -12.910 0.901 1.00 0.00 O ATOM 1061 CB THR A 70 -7.247 -10.687 3.345 1.00 0.00 C ATOM 1062 OG1 THR A 70 -5.886 -10.509 2.937 1.00 0.00 O ATOM 1063 CG2 THR A 70 -7.414 -10.230 4.786 1.00 0.00 C ATOM 0 H THR A 70 -5.731 -12.927 2.859 1.00 0.00 H new ATOM 0 HA THR A 70 -8.435 -12.397 3.912 1.00 0.00 H new ATOM 0 HB THR A 70 -7.897 -10.084 2.712 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.671 -9.553 2.924 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.120 -9.184 4.872 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.457 -10.339 5.084 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.785 -10.839 5.436 1.00 0.00 H new ATOM 1071 N PRO A 71 -9.449 -11.971 1.553 1.00 0.00 N ATOM 1072 CA PRO A 71 -10.107 -12.111 0.251 1.00 0.00 C ATOM 1073 C PRO A 71 -9.510 -11.185 -0.803 1.00 0.00 C ATOM 1074 O PRO A 71 -9.416 -11.542 -1.978 1.00 0.00 O ATOM 1075 CB PRO A 71 -11.559 -11.723 0.543 1.00 0.00 C ATOM 1076 CG PRO A 71 -11.480 -10.831 1.733 1.00 0.00 C ATOM 1077 CD PRO A 71 -10.324 -11.335 2.553 1.00 0.00 C ATOM 0 HA PRO A 71 -9.994 -13.116 -0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.010 -11.211 -0.307 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.170 -12.602 0.747 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.324 -9.795 1.434 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.407 -10.861 2.306 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.816 -10.523 3.073 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.650 -12.046 3.312 1.00 0.00 H new ATOM 1085 N LYS A 72 -9.105 -9.993 -0.376 1.00 0.00 N ATOM 1086 CA LYS A 72 -8.515 -9.015 -1.282 1.00 0.00 C ATOM 1087 C LYS A 72 -7.038 -9.314 -1.518 1.00 0.00 C ATOM 1088 O LYS A 72 -6.428 -8.786 -2.448 1.00 0.00 O ATOM 1089 CB LYS A 72 -8.676 -7.603 -0.716 1.00 0.00 C ATOM 1090 CG LYS A 72 -9.974 -6.928 -1.125 1.00 0.00 C ATOM 1091 CD LYS A 72 -9.886 -6.354 -2.529 1.00 0.00 C ATOM 1092 CE LYS A 72 -10.777 -5.132 -2.689 1.00 0.00 C ATOM 1093 NZ LYS A 72 -10.111 -3.893 -2.202 1.00 0.00 N ATOM 0 H LYS A 72 -9.175 -9.681 0.593 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.038 -9.079 -2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.627 -7.649 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.838 -6.990 -1.047 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.791 -7.648 -1.076 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.209 -6.131 -0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.853 -6.084 -2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.177 -7.115 -3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.044 -5.012 -3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.706 -5.285 -2.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.496 -3.070 -2.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.284 -3.784 -1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.088 -3.958 -2.375 1.00 0.00 H new ATOM 1107 N TYR A 73 -6.469 -10.165 -0.672 1.00 0.00 N ATOM 1108 CA TYR A 73 -5.063 -10.534 -0.788 1.00 0.00 C ATOM 1109 C TYR A 73 -4.858 -11.556 -1.901 1.00 0.00 C ATOM 1110 O TYR A 73 -3.897 -11.474 -2.666 1.00 0.00 O ATOM 1111 CB TYR A 73 -4.551 -11.099 0.539 1.00 0.00 C ATOM 1112 CG TYR A 73 -3.232 -11.827 0.417 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -2.040 -11.129 0.270 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -3.177 -13.216 0.451 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -0.833 -11.790 0.158 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -1.974 -13.886 0.341 1.00 0.00 C ATOM 1117 CZ TYR A 73 -0.805 -13.169 0.195 1.00 0.00 C ATOM 1118 OH TYR A 73 0.396 -13.832 0.085 1.00 0.00 O ATOM 0 H TYR A 73 -6.960 -10.613 0.102 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.497 -9.636 -1.036 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.442 -10.283 1.254 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.297 -11.782 0.946 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.058 -10.049 0.243 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.090 -13.781 0.565 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.084 -11.231 0.042 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.949 -14.965 0.369 1.00 0.00 H new ATOM 0 HH TYR A 73 0.241 -14.799 0.131 1.00 0.00 H new ATOM 1128 N SER A 74 -5.770 -12.520 -1.987 1.00 0.00 N ATOM 1129 CA SER A 74 -5.689 -13.561 -3.004 1.00 0.00 C ATOM 1130 C SER A 74 -6.439 -13.146 -4.266 1.00 0.00 C ATOM 1131 O SER A 74 -6.344 -13.805 -5.302 1.00 0.00 O ATOM 1132 CB SER A 74 -6.259 -14.875 -2.467 1.00 0.00 C ATOM 1133 OG SER A 74 -5.660 -15.989 -3.104 1.00 0.00 O ATOM 0 H SER A 74 -6.574 -12.601 -1.364 1.00 0.00 H new ATOM 0 HA SER A 74 -4.639 -13.706 -3.257 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.093 -14.934 -1.391 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.337 -14.899 -2.625 1.00 0.00 H new ATOM 0 HG SER A 74 -6.040 -16.816 -2.742 1.00 0.00 H new ATOM 1139 N GLN A 75 -7.185 -12.051 -4.171 1.00 0.00 N ATOM 1140 CA GLN A 75 -7.953 -11.548 -5.304 1.00 0.00 C ATOM 1141 C GLN A 75 -7.072 -10.723 -6.235 1.00 0.00 C ATOM 1142 O GLN A 75 -7.235 -10.758 -7.455 1.00 0.00 O ATOM 1143 CB GLN A 75 -9.131 -10.704 -4.815 1.00 0.00 C ATOM 1144 CG GLN A 75 -9.989 -10.148 -5.940 1.00 0.00 C ATOM 1145 CD GLN A 75 -11.411 -9.858 -5.500 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -11.782 -10.110 -4.353 1.00 0.00 O ATOM 1147 NE2 GLN A 75 -12.216 -9.326 -6.412 1.00 0.00 N ATOM 0 H GLN A 75 -7.274 -11.495 -3.321 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.336 -12.404 -5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.755 -11.311 -4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.751 -9.876 -4.216 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.536 -9.232 -6.319 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.006 -10.860 -6.765 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.866 -9.134 -7.351 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.184 -9.110 -6.174 1.00 0.00 H new ATOM 1156 N VAL A 76 -6.137 -9.979 -5.653 1.00 0.00 N ATOM 1157 CA VAL A 76 -5.229 -9.145 -6.430 1.00 0.00 C ATOM 1158 C VAL A 76 -3.968 -9.912 -6.812 1.00 0.00 C ATOM 1159 O VAL A 76 -3.210 -9.488 -7.685 1.00 0.00 O ATOM 1160 CB VAL A 76 -4.828 -7.876 -5.654 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -3.963 -6.972 -6.518 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -6.066 -7.137 -5.168 1.00 0.00 C ATOM 0 H VAL A 76 -5.989 -9.937 -4.645 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.763 -8.855 -7.335 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.244 -8.173 -4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.690 -6.081 -5.953 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.060 -7.506 -6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.519 -6.680 -7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.765 -6.243 -4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.678 -6.851 -6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.643 -7.787 -4.510 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.750 -11.045 -6.154 1.00 0.00 N ATOM 1173 CA LEU A 77 -2.580 -11.874 -6.424 1.00 0.00 C ATOM 1174 C LEU A 77 -2.705 -12.567 -7.777 1.00 0.00 C ATOM 1175 O LEU A 77 -1.800 -12.498 -8.607 1.00 0.00 O ATOM 1176 CB LEU A 77 -2.403 -12.917 -5.319 1.00 0.00 C ATOM 1177 CG LEU A 77 -1.241 -13.894 -5.498 1.00 0.00 C ATOM 1178 CD1 LEU A 77 0.061 -13.268 -5.020 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -1.515 -15.192 -4.753 1.00 0.00 C ATOM 0 H LEU A 77 -4.368 -11.411 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.704 -11.226 -6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.269 -12.394 -4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.326 -13.492 -5.238 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.143 -14.122 -6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.877 -13.978 -5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.265 -12.366 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.025 -13.011 -3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.677 -15.875 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.640 -14.982 -3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.425 -15.650 -5.142 1.00 0.00 H new ATOM 1191 N GLY A 78 -3.835 -13.234 -7.994 1.00 0.00 N ATOM 1192 CA GLY A 78 -4.059 -13.927 -9.248 1.00 0.00 C ATOM 1193 C GLY A 78 -4.019 -12.994 -10.442 1.00 0.00 C ATOM 1194 O GLY A 78 -3.540 -13.365 -11.515 1.00 0.00 O ATOM 0 H GLY A 78 -4.599 -13.306 -7.322 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.303 -14.702 -9.371 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.026 -14.428 -9.215 1.00 0.00 H new ATOM 1198 N LEU A 79 -4.524 -11.779 -10.258 1.00 0.00 N ATOM 1199 CA LEU A 79 -4.546 -10.789 -11.329 1.00 0.00 C ATOM 1200 C LEU A 79 -3.130 -10.370 -11.713 1.00 0.00 C ATOM 1201 O LEU A 79 -2.811 -10.231 -12.893 1.00 0.00 O ATOM 1202 CB LEU A 79 -5.354 -9.563 -10.901 1.00 0.00 C ATOM 1203 CG LEU A 79 -6.855 -9.783 -10.707 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -7.429 -8.739 -9.761 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -7.577 -9.747 -12.046 1.00 0.00 C ATOM 0 H LEU A 79 -4.924 -11.456 -9.377 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.020 -11.243 -12.200 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.938 -9.187 -9.966 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.215 -8.782 -11.649 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.004 -10.767 -10.263 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.498 -8.911 -9.635 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.933 -8.813 -8.793 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.268 -7.744 -10.176 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.644 -9.905 -11.888 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.420 -8.777 -12.518 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.185 -10.533 -12.692 1.00 0.00 H new ATOM 1217 N GLY A 80 -2.283 -10.173 -10.707 1.00 0.00 N ATOM 1218 CA GLY A 80 -0.911 -9.775 -10.959 1.00 0.00 C ATOM 1219 C GLY A 80 -0.612 -8.376 -10.458 1.00 0.00 C ATOM 1220 O GLY A 80 0.159 -7.640 -11.073 1.00 0.00 O ATOM 0 H GLY A 80 -2.523 -10.282 -9.722 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.236 -10.482 -10.477 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.712 -9.824 -12.030 1.00 0.00 H new ATOM 1224 N GLY A 81 -1.224 -8.007 -9.337 1.00 0.00 N ATOM 1225 CA GLY A 81 -1.008 -6.687 -8.774 1.00 0.00 C ATOM 1226 C GLY A 81 0.071 -6.681 -7.709 1.00 0.00 C ATOM 1227 O GLY A 81 0.500 -7.737 -7.245 1.00 0.00 O ATOM 0 H GLY A 81 -1.865 -8.599 -8.809 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.732 -5.996 -9.571 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.941 -6.321 -8.344 1.00 0.00 H new ATOM 1231 N ARG A 82 0.511 -5.488 -7.322 1.00 0.00 N ATOM 1232 CA ARG A 82 1.549 -5.349 -6.308 1.00 0.00 C ATOM 1233 C ARG A 82 0.939 -5.292 -4.910 1.00 0.00 C ATOM 1234 O ARG A 82 0.532 -4.227 -4.443 1.00 0.00 O ATOM 1235 CB ARG A 82 2.379 -4.091 -6.566 1.00 0.00 C ATOM 1236 CG ARG A 82 3.735 -4.103 -5.878 1.00 0.00 C ATOM 1237 CD ARG A 82 4.736 -4.960 -6.636 1.00 0.00 C ATOM 1238 NE ARG A 82 6.115 -4.614 -6.302 1.00 0.00 N ATOM 1239 CZ ARG A 82 7.164 -4.993 -7.025 1.00 0.00 C ATOM 1240 NH1 ARG A 82 6.990 -5.725 -8.116 1.00 0.00 N ATOM 1241 NH2 ARG A 82 8.388 -4.638 -6.657 1.00 0.00 N ATOM 0 H ARG A 82 0.165 -4.604 -7.695 1.00 0.00 H new ATOM 0 HA ARG A 82 2.199 -6.222 -6.367 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.527 -3.978 -7.640 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.817 -3.220 -6.228 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.113 -3.084 -5.799 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.625 -4.482 -4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.560 -6.011 -6.407 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.581 -4.837 -7.708 1.00 0.00 H new ATOM 0 HE ARG A 82 6.282 -4.051 -5.468 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.050 -5.998 -8.402 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.796 -6.015 -8.670 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.525 -4.074 -5.818 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.192 -4.929 -7.213 1.00 0.00 H new ATOM 1255 N ILE A 83 0.879 -6.443 -4.249 1.00 0.00 N ATOM 1256 CA ILE A 83 0.319 -6.522 -2.905 1.00 0.00 C ATOM 1257 C ILE A 83 1.379 -6.226 -1.850 1.00 0.00 C ATOM 1258 O ILE A 83 2.340 -6.979 -1.691 1.00 0.00 O ATOM 1259 CB ILE A 83 -0.289 -7.910 -2.630 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -1.187 -8.337 -3.794 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -1.074 -7.896 -1.327 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -1.512 -9.814 -3.795 1.00 0.00 C ATOM 0 H ILE A 83 1.211 -7.333 -4.621 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.469 -5.771 -2.846 1.00 0.00 H new ATOM 0 HB ILE A 83 0.521 -8.633 -2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.116 -7.769 -3.753 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.697 -8.080 -4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.497 -8.884 -1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.410 -7.630 -0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.878 -7.163 -1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.151 -10.045 -4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.589 -10.390 -3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.030 -10.073 -2.872 1.00 0.00 H new ATOM 1274 N VAL A 84 1.196 -5.125 -1.128 1.00 0.00 N ATOM 1275 CA VAL A 84 2.135 -4.730 -0.084 1.00 0.00 C ATOM 1276 C VAL A 84 1.405 -4.369 1.204 1.00 0.00 C ATOM 1277 O VAL A 84 0.283 -3.861 1.173 1.00 0.00 O ATOM 1278 CB VAL A 84 2.995 -3.532 -0.527 1.00 0.00 C ATOM 1279 CG1 VAL A 84 3.948 -3.940 -1.640 1.00 0.00 C ATOM 1280 CG2 VAL A 84 2.110 -2.376 -0.970 1.00 0.00 C ATOM 0 H VAL A 84 0.406 -4.491 -1.247 1.00 0.00 H new ATOM 0 HA VAL A 84 2.784 -5.586 0.098 1.00 0.00 H new ATOM 0 HB VAL A 84 3.590 -3.200 0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.547 -3.080 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.605 -4.734 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.376 -4.299 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.734 -1.538 -1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.488 -2.694 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.473 -2.067 -0.141 1.00 0.00 H new ATOM 1290 N ARG A 85 2.048 -4.634 2.336 1.00 0.00 N ATOM 1291 CA ARG A 85 1.459 -4.337 3.637 1.00 0.00 C ATOM 1292 C ARG A 85 1.183 -2.843 3.781 1.00 0.00 C ATOM 1293 O ARG A 85 1.602 -2.040 2.947 1.00 0.00 O ATOM 1294 CB ARG A 85 2.386 -4.806 4.759 1.00 0.00 C ATOM 1295 CG ARG A 85 2.397 -6.314 4.950 1.00 0.00 C ATOM 1296 CD ARG A 85 2.770 -6.692 6.375 1.00 0.00 C ATOM 1297 NE ARG A 85 2.719 -8.136 6.589 1.00 0.00 N ATOM 1298 CZ ARG A 85 3.615 -8.984 6.098 1.00 0.00 C ATOM 1299 NH1 ARG A 85 4.627 -8.536 5.369 1.00 0.00 N ATOM 1300 NH2 ARG A 85 3.500 -10.285 6.337 1.00 0.00 N ATOM 0 H ARG A 85 2.977 -5.054 2.379 1.00 0.00 H new ATOM 0 HA ARG A 85 0.512 -4.872 3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.400 -4.468 4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.081 -4.332 5.692 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.414 -6.719 4.710 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.106 -6.765 4.255 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.773 -6.328 6.596 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.091 -6.198 7.071 1.00 0.00 H new ATOM 0 HE ARG A 85 1.953 -8.514 7.146 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.719 -7.537 5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.314 -9.190 4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.723 -10.634 6.898 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.189 -10.936 5.959 1.00 0.00 H new ATOM 1314 N LYS A 86 0.476 -2.477 4.844 1.00 0.00 N ATOM 1315 CA LYS A 86 0.144 -1.080 5.099 1.00 0.00 C ATOM 1316 C LYS A 86 1.360 -0.318 5.616 1.00 0.00 C ATOM 1317 O LYS A 86 1.542 0.859 5.308 1.00 0.00 O ATOM 1318 CB LYS A 86 -1.000 -0.983 6.111 1.00 0.00 C ATOM 1319 CG LYS A 86 -0.618 -1.444 7.507 1.00 0.00 C ATOM 1320 CD LYS A 86 -1.831 -1.529 8.418 1.00 0.00 C ATOM 1321 CE LYS A 86 -1.460 -2.066 9.792 1.00 0.00 C ATOM 1322 NZ LYS A 86 -2.658 -2.513 10.555 1.00 0.00 N ATOM 0 H LYS A 86 0.121 -3.129 5.544 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.172 -0.630 4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.344 0.050 6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.839 -1.582 5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.136 -2.420 7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.110 -0.753 7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.280 -0.541 8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.583 -2.175 7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.768 -2.901 9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.938 -1.292 10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.365 -2.856 11.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.315 -1.715 10.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.132 -3.281 10.038 1.00 0.00 H new ATOM 1336 N GLU A 87 2.189 -0.998 6.401 1.00 0.00 N ATOM 1337 CA GLU A 87 3.388 -0.383 6.959 1.00 0.00 C ATOM 1338 C GLU A 87 4.047 0.545 5.943 1.00 0.00 C ATOM 1339 O GLU A 87 4.737 1.496 6.311 1.00 0.00 O ATOM 1340 CB GLU A 87 4.382 -1.460 7.401 1.00 0.00 C ATOM 1341 CG GLU A 87 3.976 -2.174 8.680 1.00 0.00 C ATOM 1342 CD GLU A 87 4.323 -1.383 9.926 1.00 0.00 C ATOM 1343 OE1 GLU A 87 3.918 -0.204 10.011 1.00 0.00 O ATOM 1344 OE2 GLU A 87 4.998 -1.941 10.815 1.00 0.00 O ATOM 0 H GLU A 87 2.053 -1.974 6.665 1.00 0.00 H new ATOM 0 HA GLU A 87 3.092 0.207 7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.488 -2.194 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.361 -1.002 7.545 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.903 -2.362 8.661 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.469 -3.145 8.722 1.00 0.00 H new ATOM 1351 N TRP A 88 3.829 0.262 4.664 1.00 0.00 N ATOM 1352 CA TRP A 88 4.402 1.071 3.594 1.00 0.00 C ATOM 1353 C TRP A 88 3.884 2.503 3.658 1.00 0.00 C ATOM 1354 O TRP A 88 4.659 3.447 3.813 1.00 0.00 O ATOM 1355 CB TRP A 88 4.074 0.457 2.231 1.00 0.00 C ATOM 1356 CG TRP A 88 4.820 1.094 1.098 1.00 0.00 C ATOM 1357 CD1 TRP A 88 6.172 1.254 0.995 1.00 0.00 C ATOM 1358 CD2 TRP A 88 4.255 1.656 -0.091 1.00 0.00 C ATOM 1359 NE1 TRP A 88 6.482 1.882 -0.187 1.00 0.00 N ATOM 1360 CE2 TRP A 88 5.324 2.139 -0.872 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.951 1.798 -0.573 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 5.126 2.753 -2.106 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 2.756 2.407 -1.798 1.00 0.00 C ATOM 1364 CH2 TRP A 88 3.839 2.878 -2.553 1.00 0.00 C ATOM 0 H TRP A 88 3.260 -0.521 4.342 1.00 0.00 H new ATOM 0 HA TRP A 88 5.484 1.090 3.725 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.305 -0.608 2.255 1.00 0.00 H new ATOM 0 HB3 TRP A 88 3.003 0.547 2.048 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.892 0.934 1.734 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.422 2.119 -0.503 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.110 1.438 0.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.959 3.118 -2.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.752 2.522 -2.180 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.654 3.349 -3.507 1.00 0.00 H new ATOM 1375 N VAL A 89 2.570 2.659 3.537 1.00 0.00 N ATOM 1376 CA VAL A 89 1.949 3.978 3.583 1.00 0.00 C ATOM 1377 C VAL A 89 2.246 4.679 4.903 1.00 0.00 C ATOM 1378 O VAL A 89 2.554 5.872 4.930 1.00 0.00 O ATOM 1379 CB VAL A 89 0.423 3.886 3.395 1.00 0.00 C ATOM 1380 CG1 VAL A 89 -0.218 5.256 3.553 1.00 0.00 C ATOM 1381 CG2 VAL A 89 0.089 3.286 2.038 1.00 0.00 C ATOM 0 H VAL A 89 1.914 1.889 3.406 1.00 0.00 H new ATOM 0 HA VAL A 89 2.374 4.557 2.764 1.00 0.00 H new ATOM 0 HB VAL A 89 0.018 3.231 4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.296 5.171 3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.008 5.643 4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.190 5.937 2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.993 3.228 1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.505 3.914 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.515 2.285 1.968 1.00 0.00 H new ATOM 1391 N LEU A 90 2.152 3.933 5.998 1.00 0.00 N ATOM 1392 CA LEU A 90 2.411 4.483 7.324 1.00 0.00 C ATOM 1393 C LEU A 90 3.774 5.167 7.373 1.00 0.00 C ATOM 1394 O LEU A 90 3.876 6.345 7.716 1.00 0.00 O ATOM 1395 CB LEU A 90 2.345 3.377 8.378 1.00 0.00 C ATOM 1396 CG LEU A 90 0.943 2.921 8.786 1.00 0.00 C ATOM 1397 CD1 LEU A 90 0.148 4.086 9.355 1.00 0.00 C ATOM 1398 CD2 LEU A 90 0.216 2.306 7.599 1.00 0.00 C ATOM 0 H LEU A 90 1.898 2.945 5.994 1.00 0.00 H new ATOM 0 HA LEU A 90 1.644 5.227 7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.892 2.512 8.003 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.867 3.722 9.270 1.00 0.00 H new ATOM 0 HG LEU A 90 1.040 2.161 9.561 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.847 3.743 9.640 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.660 4.482 10.232 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.060 4.869 8.602 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.780 1.987 7.908 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.130 3.045 6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.776 1.445 7.236 1.00 0.00 H new ATOM 1410 N ASP A 91 4.817 4.421 7.025 1.00 0.00 N ATOM 1411 CA ASP A 91 6.173 4.956 7.026 1.00 0.00 C ATOM 1412 C ASP A 91 6.286 6.154 6.087 1.00 0.00 C ATOM 1413 O ASP A 91 6.568 7.271 6.521 1.00 0.00 O ATOM 1414 CB ASP A 91 7.172 3.874 6.613 1.00 0.00 C ATOM 1415 CG ASP A 91 7.290 2.771 7.647 1.00 0.00 C ATOM 1416 OD1 ASP A 91 6.350 2.611 8.454 1.00 0.00 O ATOM 1417 OD2 ASP A 91 8.322 2.068 7.650 1.00 0.00 O ATOM 0 H ASP A 91 4.749 3.444 6.739 1.00 0.00 H new ATOM 0 HA ASP A 91 6.405 5.287 8.038 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.864 3.444 5.660 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.151 4.328 6.456 1.00 0.00 H new ATOM 1422 N CYS A 92 6.064 5.912 4.800 1.00 0.00 N ATOM 1423 CA CYS A 92 6.143 6.970 3.799 1.00 0.00 C ATOM 1424 C CYS A 92 5.656 8.297 4.371 1.00 0.00 C ATOM 1425 O CYS A 92 6.176 9.345 3.990 1.00 0.00 O ATOM 1426 CB CYS A 92 5.316 6.598 2.567 1.00 0.00 C ATOM 1427 SG CYS A 92 5.920 5.140 1.685 1.00 0.00 S ATOM 0 H CYS A 92 5.828 4.993 4.425 1.00 0.00 H new ATOM 0 HA CYS A 92 7.187 7.082 3.507 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.285 6.422 2.874 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.304 7.445 1.881 1.00 0.00 H new ATOM 0 HG CYS A 92 5.582 4.067 2.337 1.00 0.00 H new ATOM 1433 N HIS A 93 4.678 8.226 5.263 1.00 0.00 N ATOM 1434 CA HIS A 93 4.134 9.427 5.874 1.00 0.00 C ATOM 1435 C HIS A 93 4.959 9.793 7.109 1.00 0.00 C ATOM 1436 O HIS A 93 5.527 10.881 7.215 1.00 0.00 O ATOM 1437 CB HIS A 93 2.646 9.251 6.186 1.00 0.00 C ATOM 1438 CG HIS A 93 1.917 10.546 6.452 1.00 0.00 C ATOM 1439 ND1 HIS A 93 1.673 11.020 7.730 1.00 0.00 N ATOM 1440 CD2 HIS A 93 1.383 11.461 5.593 1.00 0.00 C ATOM 1441 CE1 HIS A 93 1.021 12.169 7.632 1.00 0.00 C ATOM 1442 NE2 HIS A 93 0.841 12.440 6.307 1.00 0.00 N ATOM 0 H HIS A 93 4.249 7.356 5.577 1.00 0.00 H new ATOM 0 HA HIS A 93 4.203 10.259 5.174 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.168 8.742 5.349 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.542 8.602 7.056 1.00 0.00 H new ATOM 0 HD1 HIS A 93 1.948 10.562 8.599 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.399 11.399 4.515 1.00 0.00 H new ATOM 0 HE1 HIS A 93 0.690 12.783 8.456 1.00 0.00 H new ATOM 1450 N ARG A 94 5.013 8.854 8.048 1.00 0.00 N ATOM 1451 CA ARG A 94 5.759 9.052 9.285 1.00 0.00 C ATOM 1452 C ARG A 94 7.059 9.806 9.021 1.00 0.00 C ATOM 1453 O ARG A 94 7.418 10.722 9.760 1.00 0.00 O ATOM 1454 CB ARG A 94 6.062 7.705 9.944 1.00 0.00 C ATOM 1455 CG ARG A 94 6.727 7.829 11.305 1.00 0.00 C ATOM 1456 CD ARG A 94 5.700 8.011 12.412 1.00 0.00 C ATOM 1457 NE ARG A 94 6.243 8.757 13.544 1.00 0.00 N ATOM 1458 CZ ARG A 94 5.493 9.275 14.511 1.00 0.00 C ATOM 1459 NH1 ARG A 94 4.175 9.128 14.483 1.00 0.00 N ATOM 1460 NH2 ARG A 94 6.060 9.941 15.508 1.00 0.00 N ATOM 0 H ARG A 94 4.549 7.949 7.976 1.00 0.00 H new ATOM 0 HA ARG A 94 5.144 9.648 9.959 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.133 7.146 10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.708 7.125 9.285 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.323 6.938 11.503 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.413 8.676 11.300 1.00 0.00 H new ATOM 0 HD2 ARG A 94 4.830 8.535 12.017 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.357 7.034 12.753 1.00 0.00 H new ATOM 0 HE ARG A 94 7.253 8.888 13.595 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.735 8.616 13.718 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.601 9.527 15.226 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.073 10.056 15.533 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.483 10.338 16.249 1.00 0.00 H new ATOM 1474 N MET A 95 7.761 9.412 7.963 1.00 0.00 N ATOM 1475 CA MET A 95 9.021 10.051 7.602 1.00 0.00 C ATOM 1476 C MET A 95 8.814 11.070 6.486 1.00 0.00 C ATOM 1477 O MET A 95 9.588 12.016 6.345 1.00 0.00 O ATOM 1478 CB MET A 95 10.043 9.000 7.166 1.00 0.00 C ATOM 1479 CG MET A 95 10.136 7.813 8.111 1.00 0.00 C ATOM 1480 SD MET A 95 8.998 6.485 7.670 1.00 0.00 S ATOM 1481 CE MET A 95 10.102 5.075 7.685 1.00 0.00 C ATOM 0 H MET A 95 7.479 8.654 7.341 1.00 0.00 H new ATOM 0 HA MET A 95 9.400 10.573 8.481 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.781 8.642 6.171 1.00 0.00 H new ATOM 0 HB3 MET A 95 11.024 9.469 7.088 1.00 0.00 H new ATOM 0 HG2 MET A 95 11.156 7.429 8.107 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.925 8.145 9.127 1.00 0.00 H new ATOM 0 HE1 MET A 95 9.582 4.210 8.098 1.00 0.00 H new ATOM 0 HE2 MET A 95 10.423 4.854 6.667 1.00 0.00 H new ATOM 0 HE3 MET A 95 10.973 5.302 8.299 1.00 0.00 H new ATOM 1491 N ARG A 96 7.764 10.870 5.696 1.00 0.00 N ATOM 1492 CA ARG A 96 7.457 11.770 4.591 1.00 0.00 C ATOM 1493 C ARG A 96 8.475 11.617 3.465 1.00 0.00 C ATOM 1494 O ARG A 96 8.833 12.590 2.801 1.00 0.00 O ATOM 1495 CB ARG A 96 7.435 13.220 5.079 1.00 0.00 C ATOM 1496 CG ARG A 96 6.728 13.404 6.412 1.00 0.00 C ATOM 1497 CD ARG A 96 6.678 14.868 6.818 1.00 0.00 C ATOM 1498 NE ARG A 96 6.643 15.032 8.269 1.00 0.00 N ATOM 1499 CZ ARG A 96 7.694 14.835 9.057 1.00 0.00 C ATOM 1500 NH1 ARG A 96 8.857 14.470 8.536 1.00 0.00 N ATOM 1501 NH2 ARG A 96 7.584 15.005 10.368 1.00 0.00 N ATOM 0 H ARG A 96 7.112 10.093 5.801 1.00 0.00 H new ATOM 0 HA ARG A 96 6.472 11.508 4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.460 13.580 5.168 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.944 13.840 4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.714 13.009 6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.244 12.829 7.181 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.549 15.386 6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.797 15.336 6.379 1.00 0.00 H new ATOM 0 HE ARG A 96 5.763 15.313 8.701 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.946 14.340 7.528 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.663 14.319 9.143 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.691 15.287 10.773 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.392 14.853 10.972 1.00 0.00 H new ATOM 1515 N ARG A 97 8.937 10.388 3.255 1.00 0.00 N ATOM 1516 CA ARG A 97 9.914 10.108 2.211 1.00 0.00 C ATOM 1517 C ARG A 97 9.487 8.904 1.376 1.00 0.00 C ATOM 1518 O ARG A 97 8.597 8.149 1.767 1.00 0.00 O ATOM 1519 CB ARG A 97 11.291 9.852 2.827 1.00 0.00 C ATOM 1520 CG ARG A 97 11.348 8.606 3.696 1.00 0.00 C ATOM 1521 CD ARG A 97 12.733 7.979 3.681 1.00 0.00 C ATOM 1522 NE ARG A 97 13.729 8.836 4.319 1.00 0.00 N ATOM 1523 CZ ARG A 97 13.922 8.886 5.633 1.00 0.00 C ATOM 1524 NH1 ARG A 97 13.192 8.131 6.442 1.00 0.00 N ATOM 1525 NH2 ARG A 97 14.847 9.691 6.138 1.00 0.00 N ATOM 0 H ARG A 97 8.650 9.571 3.794 1.00 0.00 H new ATOM 0 HA ARG A 97 9.971 10.979 1.559 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.026 9.761 2.027 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.578 10.716 3.426 1.00 0.00 H new ATOM 0 HG2 ARG A 97 11.075 8.862 4.720 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.615 7.881 3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.701 7.017 4.193 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.031 7.782 2.651 1.00 0.00 H new ATOM 0 HE ARG A 97 14.308 9.428 3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 97 12.481 7.510 6.056 1.00 0.00 H new ATOM 0 HH12 ARG A 97 13.342 8.171 7.450 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.411 10.272 5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.995 9.729 7.147 1.00 0.00 H new ATOM 1539 N ARG A 98 10.128 8.732 0.224 1.00 0.00 N ATOM 1540 CA ARG A 98 9.813 7.622 -0.667 1.00 0.00 C ATOM 1541 C ARG A 98 10.540 6.353 -0.231 1.00 0.00 C ATOM 1542 O ARG A 98 11.767 6.333 -0.122 1.00 0.00 O ATOM 1543 CB ARG A 98 10.194 7.971 -2.107 1.00 0.00 C ATOM 1544 CG ARG A 98 9.890 6.865 -3.103 1.00 0.00 C ATOM 1545 CD ARG A 98 9.773 7.407 -4.519 1.00 0.00 C ATOM 1546 NE ARG A 98 9.942 6.358 -5.522 1.00 0.00 N ATOM 1547 CZ ARG A 98 8.991 5.488 -5.842 1.00 0.00 C ATOM 1548 NH1 ARG A 98 7.810 5.541 -5.242 1.00 0.00 N ATOM 1549 NH2 ARG A 98 9.220 4.563 -6.765 1.00 0.00 N ATOM 0 H ARG A 98 10.868 9.347 -0.114 1.00 0.00 H new ATOM 0 HA ARG A 98 8.739 7.442 -0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.661 8.874 -2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.259 8.201 -2.146 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.678 6.112 -3.064 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.961 6.368 -2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.798 7.878 -4.648 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.524 8.181 -4.674 1.00 0.00 H new ATOM 0 HE ARG A 98 10.839 6.290 -6.003 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.630 6.251 -4.533 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.082 4.871 -5.490 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.127 4.520 -7.229 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.489 3.895 -7.010 1.00 0.00 H new ATOM 1563 N LEU A 99 9.776 5.295 0.017 1.00 0.00 N ATOM 1564 CA LEU A 99 10.346 4.021 0.441 1.00 0.00 C ATOM 1565 C LEU A 99 10.026 2.919 -0.564 1.00 0.00 C ATOM 1566 O LEU A 99 8.997 2.942 -1.241 1.00 0.00 O ATOM 1567 CB LEU A 99 9.815 3.637 1.823 1.00 0.00 C ATOM 1568 CG LEU A 99 9.842 4.739 2.883 1.00 0.00 C ATOM 1569 CD1 LEU A 99 9.213 4.249 4.178 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.269 5.209 3.126 1.00 0.00 C ATOM 0 H LEU A 99 8.760 5.294 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 99 11.429 4.135 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.787 3.292 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.396 2.792 2.192 1.00 0.00 H new ATOM 0 HG LEU A 99 9.259 5.584 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.241 5.046 4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.178 3.961 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.769 3.388 4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.270 5.993 3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.874 4.371 3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.686 5.600 2.198 1.00 0.00 H new ATOM 1582 N PRO A 100 10.925 1.929 -0.664 1.00 0.00 N ATOM 1583 CA PRO A 100 10.759 0.798 -1.581 1.00 0.00 C ATOM 1584 C PRO A 100 9.633 -0.136 -1.152 1.00 0.00 C ATOM 1585 O PRO A 100 9.575 -0.566 0.000 1.00 0.00 O ATOM 1586 CB PRO A 100 12.108 0.079 -1.506 1.00 0.00 C ATOM 1587 CG PRO A 100 12.656 0.441 -0.169 1.00 0.00 C ATOM 1588 CD PRO A 100 12.173 1.837 0.112 1.00 0.00 C ATOM 0 HA PRO A 100 10.490 1.124 -2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.988 -1.000 -1.606 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.773 0.401 -2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.309 -0.253 0.596 1.00 0.00 H new ATOM 0 HG3 PRO A 100 13.745 0.397 -0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 100 11.997 1.995 1.176 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.900 2.585 -0.205 1.00 0.00 H new ATOM 1596 N SER A 101 8.739 -0.446 -2.086 1.00 0.00 N ATOM 1597 CA SER A 101 7.612 -1.327 -1.803 1.00 0.00 C ATOM 1598 C SER A 101 8.024 -2.791 -1.921 1.00 0.00 C ATOM 1599 O SER A 101 7.292 -3.688 -1.504 1.00 0.00 O ATOM 1600 CB SER A 101 6.454 -1.033 -2.758 1.00 0.00 C ATOM 1601 OG SER A 101 5.224 -1.490 -2.225 1.00 0.00 O ATOM 0 H SER A 101 8.773 -0.100 -3.045 1.00 0.00 H new ATOM 0 HA SER A 101 7.286 -1.140 -0.780 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.397 0.039 -2.945 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.639 -1.515 -3.718 1.00 0.00 H new ATOM 0 HG SER A 101 4.485 -1.151 -2.772 1.00 0.00 H new ATOM 1607 N GLN A 102 9.202 -3.024 -2.492 1.00 0.00 N ATOM 1608 CA GLN A 102 9.711 -4.379 -2.665 1.00 0.00 C ATOM 1609 C GLN A 102 10.076 -5.000 -1.321 1.00 0.00 C ATOM 1610 O GLN A 102 10.063 -6.221 -1.167 1.00 0.00 O ATOM 1611 CB GLN A 102 10.933 -4.373 -3.586 1.00 0.00 C ATOM 1612 CG GLN A 102 12.033 -3.427 -3.130 1.00 0.00 C ATOM 1613 CD GLN A 102 13.211 -3.400 -4.084 1.00 0.00 C ATOM 1614 OE1 GLN A 102 13.171 -2.735 -5.120 1.00 0.00 O ATOM 1615 NE2 GLN A 102 14.269 -4.125 -3.740 1.00 0.00 N ATOM 0 H GLN A 102 9.821 -2.293 -2.842 1.00 0.00 H new ATOM 0 HA GLN A 102 8.924 -4.980 -3.120 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.337 -5.384 -3.647 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.619 -4.094 -4.592 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.625 -2.421 -3.034 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.378 -3.727 -2.141 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.260 -4.661 -2.872 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.091 -4.146 -4.343 1.00 0.00 H new ATOM 1624 N ARG A 103 10.401 -4.151 -0.351 1.00 0.00 N ATOM 1625 CA ARG A 103 10.771 -4.617 0.979 1.00 0.00 C ATOM 1626 C ARG A 103 9.531 -4.949 1.804 1.00 0.00 C ATOM 1627 O ARG A 103 9.597 -5.723 2.759 1.00 0.00 O ATOM 1628 CB ARG A 103 11.607 -3.558 1.700 1.00 0.00 C ATOM 1629 CG ARG A 103 13.098 -3.665 1.423 1.00 0.00 C ATOM 1630 CD ARG A 103 13.912 -2.894 2.450 1.00 0.00 C ATOM 1631 NE ARG A 103 13.978 -3.590 3.732 1.00 0.00 N ATOM 1632 CZ ARG A 103 14.417 -3.027 4.852 1.00 0.00 C ATOM 1633 NH1 ARG A 103 14.826 -1.766 4.848 1.00 0.00 N ATOM 1634 NH2 ARG A 103 14.446 -3.726 5.980 1.00 0.00 N ATOM 0 H ARG A 103 10.415 -3.137 -0.462 1.00 0.00 H new ATOM 0 HA ARG A 103 11.365 -5.524 0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.261 -2.569 1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.439 -3.644 2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.397 -4.713 1.433 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.312 -3.282 0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.922 -2.739 2.070 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.471 -1.908 2.595 1.00 0.00 H new ATOM 0 HE ARG A 103 13.670 -4.562 3.769 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.804 -1.225 3.983 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.163 -1.336 5.710 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.131 -4.696 5.987 1.00 0.00 H new ATOM 0 HH22 ARG A 103 14.783 -3.293 6.840 1.00 0.00 H new ATOM 1648 N TYR A 104 8.402 -4.358 1.428 1.00 0.00 N ATOM 1649 CA TYR A 104 7.147 -4.589 2.134 1.00 0.00 C ATOM 1650 C TYR A 104 6.294 -5.622 1.405 1.00 0.00 C ATOM 1651 O TYR A 104 5.237 -6.027 1.891 1.00 0.00 O ATOM 1652 CB TYR A 104 6.370 -3.279 2.277 1.00 0.00 C ATOM 1653 CG TYR A 104 7.095 -2.231 3.090 1.00 0.00 C ATOM 1654 CD1 TYR A 104 7.083 -2.269 4.479 1.00 0.00 C ATOM 1655 CD2 TYR A 104 7.793 -1.202 2.470 1.00 0.00 C ATOM 1656 CE1 TYR A 104 7.743 -1.313 5.226 1.00 0.00 C ATOM 1657 CE2 TYR A 104 8.458 -0.242 3.209 1.00 0.00 C ATOM 1658 CZ TYR A 104 8.429 -0.302 4.586 1.00 0.00 C ATOM 1659 OH TYR A 104 9.089 0.652 5.327 1.00 0.00 O ATOM 0 H TYR A 104 8.330 -3.716 0.639 1.00 0.00 H new ATOM 0 HA TYR A 104 7.383 -4.974 3.126 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.164 -2.878 1.284 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.407 -3.487 2.743 1.00 0.00 H new ATOM 0 HD1 TYR A 104 6.548 -3.060 4.983 1.00 0.00 H new ATOM 0 HD2 TYR A 104 7.816 -1.151 1.391 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.722 -1.357 6.305 1.00 0.00 H new ATOM 0 HE2 TYR A 104 8.997 0.550 2.711 1.00 0.00 H new ATOM 0 HH TYR A 104 8.523 0.933 6.076 1.00 0.00 H new ATOM 1669 N LEU A 105 6.761 -6.046 0.235 1.00 0.00 N ATOM 1670 CA LEU A 105 6.042 -7.033 -0.563 1.00 0.00 C ATOM 1671 C LEU A 105 5.575 -8.198 0.304 1.00 0.00 C ATOM 1672 O LEU A 105 6.348 -8.755 1.083 1.00 0.00 O ATOM 1673 CB LEU A 105 6.933 -7.550 -1.694 1.00 0.00 C ATOM 1674 CG LEU A 105 6.932 -6.723 -2.980 1.00 0.00 C ATOM 1675 CD1 LEU A 105 8.113 -7.102 -3.859 1.00 0.00 C ATOM 1676 CD2 LEU A 105 5.623 -6.909 -3.733 1.00 0.00 C ATOM 0 H LEU A 105 7.634 -5.722 -0.182 1.00 0.00 H new ATOM 0 HA LEU A 105 5.165 -6.548 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.957 -7.610 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.623 -8.566 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 105 7.027 -5.671 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.096 -6.503 -4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.042 -6.916 -3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.049 -8.159 -4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.640 -6.313 -4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.497 -7.961 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.793 -6.586 -3.105 1.00 0.00 H new ATOM 1688 N MET A 106 4.305 -8.563 0.162 1.00 0.00 N ATOM 1689 CA MET A 106 3.735 -9.664 0.930 1.00 0.00 C ATOM 1690 C MET A 106 3.909 -10.988 0.192 1.00 0.00 C ATOM 1691 O MET A 106 4.600 -11.888 0.668 1.00 0.00 O ATOM 1692 CB MET A 106 2.252 -9.410 1.203 1.00 0.00 C ATOM 1693 CG MET A 106 1.998 -8.551 2.431 1.00 0.00 C ATOM 1694 SD MET A 106 0.449 -7.634 2.330 1.00 0.00 S ATOM 1695 CE MET A 106 -0.506 -8.441 3.613 1.00 0.00 C ATOM 0 H MET A 106 3.651 -8.112 -0.478 1.00 0.00 H new ATOM 0 HA MET A 106 4.266 -9.725 1.880 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.809 -8.926 0.333 1.00 0.00 H new ATOM 0 HB3 MET A 106 1.745 -10.367 1.328 1.00 0.00 H new ATOM 0 HG2 MET A 106 1.982 -9.186 3.317 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.823 -7.850 2.556 1.00 0.00 H new ATOM 0 HE1 MET A 106 -1.326 -8.998 3.160 1.00 0.00 H new ATOM 0 HE2 MET A 106 0.135 -9.126 4.168 1.00 0.00 H new ATOM 0 HE3 MET A 106 -0.909 -7.691 4.293 1.00 0.00 H new ATOM 1705 N ALA A 107 3.277 -11.099 -0.972 1.00 0.00 N ATOM 1706 CA ALA A 107 3.364 -12.312 -1.775 1.00 0.00 C ATOM 1707 C ALA A 107 4.635 -12.324 -2.617 1.00 0.00 C ATOM 1708 O ALA A 107 5.401 -11.361 -2.615 1.00 0.00 O ATOM 1709 CB ALA A 107 2.138 -12.443 -2.667 1.00 0.00 C ATOM 0 H ALA A 107 2.699 -10.364 -1.380 1.00 0.00 H new ATOM 0 HA ALA A 107 3.401 -13.165 -1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.216 -13.353 -3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.241 -12.489 -2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 107 2.077 -11.581 -3.331 1.00 0.00 H new ATOM 1715 N GLY A 108 4.855 -13.422 -3.334 1.00 0.00 N ATOM 1716 CA GLY A 108 6.036 -13.538 -4.169 1.00 0.00 C ATOM 1717 C GLY A 108 7.320 -13.514 -3.364 1.00 0.00 C ATOM 1718 O GLY A 108 7.380 -12.957 -2.268 1.00 0.00 O ATOM 0 H GLY A 108 4.236 -14.233 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.985 -14.466 -4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.048 -12.722 -4.891 1.00 0.00 H new ATOM 1722 N PRO A 109 8.378 -14.131 -3.911 1.00 0.00 N ATOM 1723 CA PRO A 109 9.686 -14.193 -3.253 1.00 0.00 C ATOM 1724 C PRO A 109 10.378 -12.835 -3.209 1.00 0.00 C ATOM 1725 O PRO A 109 11.022 -12.487 -2.220 1.00 0.00 O ATOM 1726 CB PRO A 109 10.478 -15.168 -4.128 1.00 0.00 C ATOM 1727 CG PRO A 109 9.836 -15.080 -5.469 1.00 0.00 C ATOM 1728 CD PRO A 109 8.378 -14.816 -5.215 1.00 0.00 C ATOM 0 HA PRO A 109 9.603 -14.504 -2.212 1.00 0.00 H new ATOM 0 HB2 PRO A 109 11.531 -14.892 -4.175 1.00 0.00 H new ATOM 0 HB3 PRO A 109 10.431 -16.183 -3.732 1.00 0.00 H new ATOM 0 HG2 PRO A 109 10.280 -14.280 -6.062 1.00 0.00 H new ATOM 0 HG3 PRO A 109 9.973 -16.005 -6.029 1.00 0.00 H new ATOM 0 HD2 PRO A 109 7.940 -14.194 -5.996 1.00 0.00 H new ATOM 0 HD3 PRO A 109 7.802 -15.741 -5.183 1.00 0.00 H new ATOM 1736 N GLY A 110 10.239 -12.070 -4.288 1.00 0.00 N ATOM 1737 CA GLY A 110 10.857 -10.758 -4.351 1.00 0.00 C ATOM 1738 C GLY A 110 11.001 -10.254 -5.773 1.00 0.00 C ATOM 1739 O GLY A 110 10.226 -10.627 -6.653 1.00 0.00 O ATOM 0 H GLY A 110 9.710 -12.335 -5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 110 10.260 -10.050 -3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.840 -10.800 -3.882 1.00 0.00 H new ATOM 1743 N SER A 111 11.996 -9.401 -5.999 1.00 0.00 N ATOM 1744 CA SER A 111 12.236 -8.840 -7.323 1.00 0.00 C ATOM 1745 C SER A 111 13.496 -9.435 -7.945 1.00 0.00 C ATOM 1746 O SER A 111 14.530 -8.773 -8.033 1.00 0.00 O ATOM 1747 CB SER A 111 12.365 -7.318 -7.239 1.00 0.00 C ATOM 1748 OG SER A 111 11.108 -6.712 -6.993 1.00 0.00 O ATOM 0 H SER A 111 12.648 -9.084 -5.282 1.00 0.00 H new ATOM 0 HA SER A 111 11.386 -9.091 -7.957 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.062 -7.052 -6.444 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.782 -6.933 -8.170 1.00 0.00 H new ATOM 0 HG SER A 111 11.218 -5.740 -6.942 1.00 0.00 H new ATOM 1754 N SER A 112 13.400 -10.689 -8.374 1.00 0.00 N ATOM 1755 CA SER A 112 14.532 -11.376 -8.985 1.00 0.00 C ATOM 1756 C SER A 112 14.496 -11.240 -10.504 1.00 0.00 C ATOM 1757 O SER A 112 14.016 -12.130 -11.207 1.00 0.00 O ATOM 1758 CB SER A 112 14.530 -12.855 -8.594 1.00 0.00 C ATOM 1759 OG SER A 112 15.735 -13.489 -8.985 1.00 0.00 O ATOM 0 H SER A 112 12.551 -11.250 -8.310 1.00 0.00 H new ATOM 0 HA SER A 112 15.447 -10.912 -8.618 1.00 0.00 H new ATOM 0 HB2 SER A 112 14.400 -12.949 -7.516 1.00 0.00 H new ATOM 0 HB3 SER A 112 13.683 -13.357 -9.062 1.00 0.00 H new ATOM 0 HG SER A 112 15.708 -14.433 -8.722 1.00 0.00 H new ATOM 1765 N SER A 113 15.006 -10.119 -11.004 1.00 0.00 N ATOM 1766 CA SER A 113 15.029 -9.863 -12.439 1.00 0.00 C ATOM 1767 C SER A 113 13.612 -9.791 -13.001 1.00 0.00 C ATOM 1768 O SER A 113 13.340 -10.291 -14.091 1.00 0.00 O ATOM 1769 CB SER A 113 15.820 -10.956 -13.161 1.00 0.00 C ATOM 1770 OG SER A 113 17.177 -10.957 -12.753 1.00 0.00 O ATOM 0 H SER A 113 15.409 -9.374 -10.436 1.00 0.00 H new ATOM 0 HA SER A 113 15.516 -8.902 -12.603 1.00 0.00 H new ATOM 0 HB2 SER A 113 15.374 -11.929 -12.954 1.00 0.00 H new ATOM 0 HB3 SER A 113 15.761 -10.801 -14.238 1.00 0.00 H new ATOM 0 HG SER A 113 17.661 -11.665 -13.227 1.00 0.00 H new ATOM 1776 N GLU A 114 12.715 -9.164 -12.246 1.00 0.00 N ATOM 1777 CA GLU A 114 11.326 -9.027 -12.667 1.00 0.00 C ATOM 1778 C GLU A 114 10.978 -7.564 -12.927 1.00 0.00 C ATOM 1779 O GLU A 114 10.348 -6.909 -12.098 1.00 0.00 O ATOM 1780 CB GLU A 114 10.388 -9.604 -11.606 1.00 0.00 C ATOM 1781 CG GLU A 114 10.587 -11.091 -11.360 1.00 0.00 C ATOM 1782 CD GLU A 114 9.382 -11.742 -10.712 1.00 0.00 C ATOM 1783 OE1 GLU A 114 8.449 -12.127 -11.448 1.00 0.00 O ATOM 1784 OE2 GLU A 114 9.371 -11.867 -9.470 1.00 0.00 O ATOM 0 H GLU A 114 12.925 -8.743 -11.341 1.00 0.00 H new ATOM 0 HA GLU A 114 11.199 -9.584 -13.595 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.538 -9.066 -10.670 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.356 -9.430 -11.912 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.797 -11.587 -12.308 1.00 0.00 H new ATOM 0 HG3 GLU A 114 11.460 -11.236 -10.723 1.00 0.00 H new ATOM 1791 N GLU A 115 11.395 -7.059 -14.084 1.00 0.00 N ATOM 1792 CA GLU A 115 11.129 -5.673 -14.452 1.00 0.00 C ATOM 1793 C GLU A 115 10.020 -5.591 -15.497 1.00 0.00 C ATOM 1794 O GLU A 115 10.075 -6.259 -16.530 1.00 0.00 O ATOM 1795 CB GLU A 115 12.400 -5.012 -14.989 1.00 0.00 C ATOM 1796 CG GLU A 115 12.910 -5.631 -16.280 1.00 0.00 C ATOM 1797 CD GLU A 115 14.215 -5.015 -16.746 1.00 0.00 C ATOM 1798 OE1 GLU A 115 15.145 -4.899 -15.922 1.00 0.00 O ATOM 1799 OE2 GLU A 115 14.305 -4.651 -17.938 1.00 0.00 O ATOM 0 H GLU A 115 11.918 -7.588 -14.782 1.00 0.00 H new ATOM 0 HA GLU A 115 10.802 -5.143 -13.558 1.00 0.00 H new ATOM 0 HB2 GLU A 115 12.206 -3.953 -15.156 1.00 0.00 H new ATOM 0 HB3 GLU A 115 13.181 -5.077 -14.231 1.00 0.00 H new ATOM 0 HG2 GLU A 115 13.050 -6.702 -16.135 1.00 0.00 H new ATOM 0 HG3 GLU A 115 12.157 -5.510 -17.059 1.00 0.00 H new ATOM 1806 N ASP A 116 9.014 -4.769 -15.220 1.00 0.00 N ATOM 1807 CA ASP A 116 7.891 -4.598 -16.135 1.00 0.00 C ATOM 1808 C ASP A 116 8.356 -4.004 -17.461 1.00 0.00 C ATOM 1809 O ASP A 116 9.329 -3.252 -17.507 1.00 0.00 O ATOM 1810 CB ASP A 116 6.825 -3.701 -15.506 1.00 0.00 C ATOM 1811 CG ASP A 116 7.391 -2.379 -15.024 1.00 0.00 C ATOM 1812 OD1 ASP A 116 8.045 -2.367 -13.961 1.00 0.00 O ATOM 1813 OD2 ASP A 116 7.179 -1.357 -15.710 1.00 0.00 O ATOM 0 H ASP A 116 8.953 -4.210 -14.369 1.00 0.00 H new ATOM 0 HA ASP A 116 7.460 -5.580 -16.329 1.00 0.00 H new ATOM 0 HB2 ASP A 116 6.037 -3.511 -16.235 1.00 0.00 H new ATOM 0 HB3 ASP A 116 6.364 -4.223 -14.667 1.00 0.00 H new ATOM 1818 N GLU A 117 7.655 -4.349 -18.536 1.00 0.00 N ATOM 1819 CA GLU A 117 7.998 -3.850 -19.863 1.00 0.00 C ATOM 1820 C GLU A 117 7.707 -2.356 -19.975 1.00 0.00 C ATOM 1821 O GLU A 117 8.561 -1.577 -20.397 1.00 0.00 O ATOM 1822 CB GLU A 117 7.220 -4.614 -20.936 1.00 0.00 C ATOM 1823 CG GLU A 117 7.499 -4.132 -22.350 1.00 0.00 C ATOM 1824 CD GLU A 117 7.156 -5.171 -23.400 1.00 0.00 C ATOM 1825 OE1 GLU A 117 7.853 -6.205 -23.462 1.00 0.00 O ATOM 1826 OE2 GLU A 117 6.189 -4.950 -24.158 1.00 0.00 O ATOM 0 H GLU A 117 6.847 -4.971 -18.515 1.00 0.00 H new ATOM 0 HA GLU A 117 9.066 -4.007 -20.017 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.467 -5.673 -20.867 1.00 0.00 H new ATOM 0 HB3 GLU A 117 6.153 -4.522 -20.734 1.00 0.00 H new ATOM 0 HG2 GLU A 117 6.925 -3.225 -22.541 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.552 -3.866 -22.438 1.00 0.00 H new ATOM 1833 N ALA A 118 6.495 -1.966 -19.595 1.00 0.00 N ATOM 1834 CA ALA A 118 6.091 -0.566 -19.651 1.00 0.00 C ATOM 1835 C ALA A 118 4.852 -0.318 -18.798 1.00 0.00 C ATOM 1836 O ALA A 118 3.745 -0.713 -19.164 1.00 0.00 O ATOM 1837 CB ALA A 118 5.835 -0.148 -21.092 1.00 0.00 C ATOM 0 H ALA A 118 5.776 -2.599 -19.245 1.00 0.00 H new ATOM 0 HA ALA A 118 6.904 0.038 -19.248 1.00 0.00 H new ATOM 0 HB1 ALA A 118 5.534 0.899 -21.119 1.00 0.00 H new ATOM 0 HB2 ALA A 118 6.746 -0.279 -21.676 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.041 -0.764 -21.514 1.00 0.00 H new ATOM 1843 N SER A 119 5.046 0.339 -17.659 1.00 0.00 N ATOM 1844 CA SER A 119 3.944 0.636 -16.751 1.00 0.00 C ATOM 1845 C SER A 119 2.938 1.578 -17.407 1.00 0.00 C ATOM 1846 O SER A 119 3.296 2.278 -18.353 1.00 0.00 O ATOM 1847 CB SER A 119 4.474 1.258 -15.458 1.00 0.00 C ATOM 1848 OG SER A 119 4.982 0.264 -14.585 1.00 0.00 O ATOM 0 H SER A 119 5.955 0.676 -17.343 1.00 0.00 H new ATOM 0 HA SER A 119 3.438 -0.300 -16.515 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.259 1.977 -15.692 1.00 0.00 H new ATOM 0 HB3 SER A 119 3.675 1.809 -14.962 1.00 0.00 H new ATOM 0 HG SER A 119 5.692 -0.238 -15.038 1.00 0.00 H new ATOM 1854 N HIS A 120 1.716 1.574 -16.895 1.00 0.00 N ATOM 1855 CA HIS A 120 0.675 2.430 -17.439 1.00 0.00 C ATOM 1856 C HIS A 120 0.590 3.718 -16.618 1.00 0.00 C ATOM 1857 O HIS A 120 0.847 3.744 -15.414 1.00 0.00 O ATOM 1858 CB HIS A 120 -0.659 1.684 -17.511 1.00 0.00 C ATOM 1859 CG HIS A 120 -0.566 0.323 -18.158 1.00 0.00 C ATOM 1860 ND1 HIS A 120 -0.846 -0.851 -17.480 1.00 0.00 N ATOM 1861 CD2 HIS A 120 -0.224 -0.039 -19.428 1.00 0.00 C ATOM 1862 CE1 HIS A 120 -0.675 -1.867 -18.313 1.00 0.00 C ATOM 1863 NE2 HIS A 120 -0.290 -1.362 -19.520 1.00 0.00 N ATOM 0 H HIS A 120 1.423 0.992 -16.110 1.00 0.00 H new ATOM 0 HA HIS A 120 0.925 2.708 -18.463 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -1.055 1.569 -16.502 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -1.374 2.291 -18.066 1.00 0.00 H new ATOM 0 HD2 HIS A 120 0.053 0.636 -20.224 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -0.816 -2.912 -18.078 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -0.086 -1.910 -20.356 1.00 0.00 H new ATOM 1871 N SER A 121 0.220 4.796 -17.302 1.00 0.00 N ATOM 1872 CA SER A 121 0.096 6.101 -16.663 1.00 0.00 C ATOM 1873 C SER A 121 -1.325 6.639 -16.799 1.00 0.00 C ATOM 1874 O SER A 121 -1.916 7.116 -15.831 1.00 0.00 O ATOM 1875 CB SER A 121 1.088 7.090 -17.278 1.00 0.00 C ATOM 1876 OG SER A 121 2.353 7.003 -16.645 1.00 0.00 O ATOM 0 H SER A 121 0.001 4.792 -18.298 1.00 0.00 H new ATOM 0 HA SER A 121 0.322 5.982 -15.603 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.196 6.887 -18.343 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.700 8.104 -17.185 1.00 0.00 H new ATOM 0 HG SER A 121 2.970 7.644 -17.057 1.00 0.00 H new ATOM 1882 N GLY A 122 -1.869 6.559 -18.010 1.00 0.00 N ATOM 1883 CA GLY A 122 -3.216 7.042 -18.252 1.00 0.00 C ATOM 1884 C GLY A 122 -3.321 8.550 -18.141 1.00 0.00 C ATOM 1885 O GLY A 122 -2.535 9.184 -17.437 1.00 0.00 O ATOM 0 H GLY A 122 -1.401 6.168 -18.828 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.537 6.731 -19.246 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.898 6.580 -17.538 1.00 0.00 H new ATOM 1889 N GLY A 123 -4.293 9.127 -18.840 1.00 0.00 N ATOM 1890 CA GLY A 123 -4.478 10.566 -18.804 1.00 0.00 C ATOM 1891 C GLY A 123 -5.703 10.974 -18.010 1.00 0.00 C ATOM 1892 O GLY A 123 -6.833 10.689 -18.407 1.00 0.00 O ATOM 0 H GLY A 123 -4.956 8.624 -19.430 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.594 11.032 -18.368 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.567 10.943 -19.823 1.00 0.00 H new ATOM 1896 N SER A 124 -5.480 11.641 -16.882 1.00 0.00 N ATOM 1897 CA SER A 124 -6.574 12.084 -16.026 1.00 0.00 C ATOM 1898 C SER A 124 -6.482 13.583 -15.758 1.00 0.00 C ATOM 1899 O SER A 124 -5.505 14.232 -16.128 1.00 0.00 O ATOM 1900 CB SER A 124 -6.558 11.316 -14.703 1.00 0.00 C ATOM 1901 OG SER A 124 -7.819 11.380 -14.061 1.00 0.00 O ATOM 0 H SER A 124 -4.551 11.886 -16.540 1.00 0.00 H new ATOM 0 HA SER A 124 -7.512 11.882 -16.544 1.00 0.00 H new ATOM 0 HB2 SER A 124 -6.292 10.275 -14.886 1.00 0.00 H new ATOM 0 HB3 SER A 124 -5.791 11.730 -14.048 1.00 0.00 H new ATOM 0 HG SER A 124 -7.783 10.880 -13.219 1.00 0.00 H new ATOM 1907 N GLY A 125 -7.508 14.127 -15.111 1.00 0.00 N ATOM 1908 CA GLY A 125 -7.525 15.545 -14.803 1.00 0.00 C ATOM 1909 C GLY A 125 -8.591 15.906 -13.788 1.00 0.00 C ATOM 1910 O GLY A 125 -9.533 15.149 -13.549 1.00 0.00 O ATOM 0 H GLY A 125 -8.329 13.610 -14.794 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -6.548 15.842 -14.421 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -7.694 16.111 -15.719 1.00 0.00 H new ATOM 1914 N PRO A 126 -8.450 17.088 -13.170 1.00 0.00 N ATOM 1915 CA PRO A 126 -9.399 17.574 -12.164 1.00 0.00 C ATOM 1916 C PRO A 126 -10.748 17.942 -12.771 1.00 0.00 C ATOM 1917 O PRO A 126 -11.793 17.740 -12.153 1.00 0.00 O ATOM 1918 CB PRO A 126 -8.709 18.818 -11.598 1.00 0.00 C ATOM 1919 CG PRO A 126 -7.809 19.282 -12.690 1.00 0.00 C ATOM 1920 CD PRO A 126 -7.352 18.041 -13.406 1.00 0.00 C ATOM 0 HA PRO A 126 -9.623 16.816 -11.414 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -9.435 19.586 -11.330 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -8.146 18.582 -10.695 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -8.334 19.953 -13.369 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -6.960 19.835 -12.288 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.200 18.224 -14.470 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -6.407 17.672 -13.008 1.00 0.00 H new ATOM 1928 N SER A 127 -10.718 18.484 -13.985 1.00 0.00 N ATOM 1929 CA SER A 127 -11.939 18.884 -14.674 1.00 0.00 C ATOM 1930 C SER A 127 -12.430 17.773 -15.598 1.00 0.00 C ATOM 1931 O SER A 127 -13.622 17.469 -15.642 1.00 0.00 O ATOM 1932 CB SER A 127 -11.701 20.163 -15.478 1.00 0.00 C ATOM 1933 OG SER A 127 -12.866 20.545 -16.188 1.00 0.00 O ATOM 0 H SER A 127 -9.861 18.656 -14.511 1.00 0.00 H new ATOM 0 HA SER A 127 -12.705 19.073 -13.922 1.00 0.00 H new ATOM 0 HB2 SER A 127 -11.401 20.967 -14.807 1.00 0.00 H new ATOM 0 HB3 SER A 127 -10.880 20.009 -16.178 1.00 0.00 H new ATOM 0 HG SER A 127 -12.687 21.366 -16.692 1.00 0.00 H new ATOM 1939 N SER A 128 -11.502 17.172 -16.335 1.00 0.00 N ATOM 1940 CA SER A 128 -11.840 16.097 -17.261 1.00 0.00 C ATOM 1941 C SER A 128 -12.228 14.830 -16.505 1.00 0.00 C ATOM 1942 O SER A 128 -12.044 14.736 -15.293 1.00 0.00 O ATOM 1943 CB SER A 128 -10.660 15.808 -18.191 1.00 0.00 C ATOM 1944 OG SER A 128 -10.723 16.608 -19.359 1.00 0.00 O ATOM 0 H SER A 128 -10.511 17.411 -16.309 1.00 0.00 H new ATOM 0 HA SER A 128 -12.694 16.419 -17.857 1.00 0.00 H new ATOM 0 HB2 SER A 128 -9.724 15.999 -17.666 1.00 0.00 H new ATOM 0 HB3 SER A 128 -10.661 14.754 -18.468 1.00 0.00 H new ATOM 0 HG SER A 128 -9.957 16.406 -19.936 1.00 0.00 H new ATOM 1950 N GLY A 129 -12.768 13.857 -17.233 1.00 0.00 N ATOM 1951 CA GLY A 129 -13.175 12.608 -16.615 1.00 0.00 C ATOM 1952 C GLY A 129 -14.466 12.742 -15.832 1.00 0.00 C ATOM 1953 O GLY A 129 -15.163 11.755 -15.598 1.00 0.00 O ATOM 0 H GLY A 129 -12.931 13.911 -18.238 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -13.299 11.848 -17.386 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -12.384 12.261 -15.950 1.00 0.00 H new TER 1957 GLY A 129