USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 550 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 73 TYR OH : rot -114:sc= 0.5 USER MOD Set 1.2: A 98 LYS NZ :NH3+ -151:sc= 0.121 (180deg=0) USER MOD Set 2.1: A 72 ASN : amide:sc= 0 X(o=-1.3,f=-0.83) USER MOD Set 2.2: A 76 GLN : amide:sc= -1.29! X(o=-1.3!,f=-0.81) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -103:sc= 1.3 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= 1.18 (180deg=1.02) USER MOD Single : A 67 THR OG1 : rot 55:sc= -3.86! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 158:sc= -0.145 (180deg=-0.538) USER MOD Single : A 86 LYS NZ :NH3+ -165:sc= -0.0435 (180deg=-0.277) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0921 K(o=-0.092,f=-1.9!) USER MOD Single : A 97 LYS NZ :NH3+ -147:sc= 1.25 (180deg=0.423) USER MOD Single : A 100 SER OG : rot 94:sc= 0.84 USER MOD ----------------------------------------------------------------- ATOM 21 N ALA A 2 26.327 37.534 -5.561 1.00 0.00 N ATOM 22 CA ALA A 2 24.947 37.470 -6.088 1.00 0.00 C ATOM 23 C ALA A 2 24.553 36.056 -6.502 1.00 0.00 C ATOM 24 O ALA A 2 23.426 35.609 -6.260 1.00 0.00 O ATOM 25 CB ALA A 2 24.773 38.410 -7.271 1.00 0.00 C ATOM 0 HA ALA A 2 24.290 37.782 -5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 2 23.750 38.344 -7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 2 24.980 39.433 -6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 2 25.464 38.127 -8.065 1.00 0.00 H new ATOM 31 N ASP A 3 25.466 35.370 -7.140 1.00 0.00 N ATOM 32 CA ASP A 3 25.213 34.009 -7.588 1.00 0.00 C ATOM 33 C ASP A 3 25.350 33.053 -6.419 1.00 0.00 C ATOM 34 O ASP A 3 24.529 32.146 -6.229 1.00 0.00 O ATOM 35 CB ASP A 3 26.175 33.629 -8.715 1.00 0.00 C ATOM 36 CG ASP A 3 25.966 32.219 -9.208 1.00 0.00 C ATOM 37 OD1 ASP A 3 25.060 31.985 -10.054 1.00 0.00 O ATOM 38 OD2 ASP A 3 26.705 31.318 -8.781 1.00 0.00 O ATOM 0 H ASP A 3 26.395 35.725 -7.365 1.00 0.00 H new ATOM 0 HA ASP A 3 24.197 33.945 -7.977 1.00 0.00 H new ATOM 0 HB2 ASP A 3 26.047 34.323 -9.546 1.00 0.00 H new ATOM 0 HB3 ASP A 3 27.201 33.738 -8.364 1.00 0.00 H new ATOM 43 N GLU A 4 26.376 33.307 -5.632 1.00 0.00 N ATOM 44 CA GLU A 4 26.745 32.543 -4.449 1.00 0.00 C ATOM 45 C GLU A 4 25.600 32.455 -3.459 1.00 0.00 C ATOM 46 O GLU A 4 25.236 31.370 -3.032 1.00 0.00 O ATOM 47 CB GLU A 4 27.942 33.202 -3.748 1.00 0.00 C ATOM 48 CG GLU A 4 29.283 33.160 -4.482 1.00 0.00 C ATOM 49 CD GLU A 4 29.262 33.734 -5.879 1.00 0.00 C ATOM 50 OE1 GLU A 4 28.651 34.810 -6.102 1.00 0.00 O ATOM 51 OE2 GLU A 4 29.819 33.081 -6.794 1.00 0.00 O ATOM 0 H GLU A 4 27.008 34.089 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 4 27.002 31.538 -4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.692 34.246 -3.559 1.00 0.00 H new ATOM 0 HB3 GLU A 4 28.072 32.724 -2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 4 30.021 33.704 -3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 4 29.619 32.124 -4.535 1.00 0.00 H new ATOM 58 N GLU A 5 25.028 33.603 -3.116 1.00 0.00 N ATOM 59 CA GLU A 5 23.950 33.679 -2.135 1.00 0.00 C ATOM 60 C GLU A 5 22.728 32.896 -2.604 1.00 0.00 C ATOM 61 O GLU A 5 22.075 32.213 -1.821 1.00 0.00 O ATOM 62 CB GLU A 5 23.576 35.148 -1.830 1.00 0.00 C ATOM 63 CG GLU A 5 23.063 35.933 -3.032 1.00 0.00 C ATOM 64 CD GLU A 5 22.679 37.343 -2.701 1.00 0.00 C ATOM 65 OE1 GLU A 5 21.528 37.572 -2.279 1.00 0.00 O ATOM 66 OE2 GLU A 5 23.490 38.269 -2.889 1.00 0.00 O ATOM 0 H GLU A 5 25.297 34.505 -3.508 1.00 0.00 H new ATOM 0 HA GLU A 5 24.309 33.225 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.813 35.161 -1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 5 24.452 35.656 -1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 5 23.832 35.945 -3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 5 22.199 35.418 -3.451 1.00 0.00 H new ATOM 73 N LEU A 6 22.465 32.954 -3.894 1.00 0.00 N ATOM 74 CA LEU A 6 21.332 32.277 -4.457 1.00 0.00 C ATOM 75 C LEU A 6 21.589 30.779 -4.497 1.00 0.00 C ATOM 76 O LEU A 6 20.714 29.977 -4.170 1.00 0.00 O ATOM 77 CB LEU A 6 21.011 32.823 -5.849 1.00 0.00 C ATOM 78 CG LEU A 6 19.761 32.257 -6.523 1.00 0.00 C ATOM 79 CD1 LEU A 6 18.536 32.506 -5.663 1.00 0.00 C ATOM 80 CD2 LEU A 6 19.576 32.881 -7.893 1.00 0.00 C ATOM 0 H LEU A 6 23.030 33.469 -4.570 1.00 0.00 H new ATOM 0 HA LEU A 6 20.463 32.459 -3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 6 20.901 33.905 -5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 6 21.866 32.633 -6.498 1.00 0.00 H new ATOM 0 HG LEU A 6 19.888 31.181 -6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 6 17.655 32.097 -6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 6 18.666 32.022 -4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 6 18.405 33.578 -5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 6 18.682 32.470 -8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 6 19.467 33.961 -7.789 1.00 0.00 H new ATOM 0 HD23 LEU A 6 20.445 32.662 -8.513 1.00 0.00 H new ATOM 92 N GLU A 7 22.803 30.409 -4.855 1.00 0.00 N ATOM 93 CA GLU A 7 23.189 29.020 -4.902 1.00 0.00 C ATOM 94 C GLU A 7 23.166 28.425 -3.498 1.00 0.00 C ATOM 95 O GLU A 7 22.641 27.335 -3.285 1.00 0.00 O ATOM 96 CB GLU A 7 24.573 28.863 -5.517 1.00 0.00 C ATOM 97 CG GLU A 7 24.983 27.421 -5.668 1.00 0.00 C ATOM 98 CD GLU A 7 26.357 27.252 -6.209 1.00 0.00 C ATOM 99 OE1 GLU A 7 26.524 27.271 -7.445 1.00 0.00 O ATOM 100 OE2 GLU A 7 27.296 27.087 -5.422 1.00 0.00 O ATOM 0 H GLU A 7 23.542 31.061 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 7 22.475 28.485 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 7 24.588 29.345 -6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 7 25.303 29.381 -4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 7 24.920 26.929 -4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 7 24.276 26.917 -6.327 1.00 0.00 H new ATOM 107 N ALA A 8 23.707 29.171 -2.549 1.00 0.00 N ATOM 108 CA ALA A 8 23.745 28.772 -1.149 1.00 0.00 C ATOM 109 C ALA A 8 22.335 28.540 -0.628 1.00 0.00 C ATOM 110 O ALA A 8 22.083 27.572 0.102 1.00 0.00 O ATOM 111 CB ALA A 8 24.452 29.831 -0.318 1.00 0.00 C ATOM 0 H ALA A 8 24.136 30.079 -2.729 1.00 0.00 H new ATOM 0 HA ALA A 8 24.302 27.839 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 8 24.473 29.520 0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 8 25.472 29.956 -0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.918 30.777 -0.404 1.00 0.00 H new ATOM 117 N LEU A 9 21.428 29.428 -1.027 1.00 0.00 N ATOM 118 CA LEU A 9 20.014 29.338 -0.698 1.00 0.00 C ATOM 119 C LEU A 9 19.459 28.005 -1.214 1.00 0.00 C ATOM 120 O LEU A 9 18.872 27.227 -0.447 1.00 0.00 O ATOM 121 CB LEU A 9 19.277 30.559 -1.338 1.00 0.00 C ATOM 122 CG LEU A 9 17.765 30.788 -1.057 1.00 0.00 C ATOM 123 CD1 LEU A 9 17.384 32.180 -1.512 1.00 0.00 C ATOM 124 CD2 LEU A 9 16.874 29.783 -1.795 1.00 0.00 C ATOM 0 H LEU A 9 21.662 30.241 -1.596 1.00 0.00 H new ATOM 0 HA LEU A 9 19.860 29.367 0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 9 19.805 31.459 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.398 30.481 -2.418 1.00 0.00 H new ATOM 0 HG LEU A 9 17.610 30.658 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.325 32.349 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.974 32.916 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.578 32.280 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.828 29.986 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 9 17.034 29.875 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 9 17.125 28.771 -1.476 1.00 0.00 H new ATOM 136 N ARG A 10 19.683 27.742 -2.500 1.00 0.00 N ATOM 137 CA ARG A 10 19.193 26.536 -3.162 1.00 0.00 C ATOM 138 C ARG A 10 19.744 25.278 -2.519 1.00 0.00 C ATOM 139 O ARG A 10 18.994 24.387 -2.133 1.00 0.00 O ATOM 140 CB ARG A 10 19.548 26.544 -4.634 1.00 0.00 C ATOM 141 CG ARG A 10 18.920 27.662 -5.452 1.00 0.00 C ATOM 142 CD ARG A 10 19.243 27.492 -6.927 1.00 0.00 C ATOM 143 NE ARG A 10 18.749 26.202 -7.437 1.00 0.00 N ATOM 144 CZ ARG A 10 19.088 25.634 -8.597 1.00 0.00 C ATOM 145 NH1 ARG A 10 19.894 26.263 -9.456 1.00 0.00 N ATOM 146 NH2 ARG A 10 18.607 24.432 -8.905 1.00 0.00 N ATOM 0 H ARG A 10 20.211 28.362 -3.114 1.00 0.00 H new ATOM 0 HA ARG A 10 18.109 26.534 -3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 10 20.632 26.613 -4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 10 19.250 25.589 -5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.839 27.662 -5.308 1.00 0.00 H new ATOM 0 HG3 ARG A 10 19.288 28.627 -5.102 1.00 0.00 H new ATOM 0 HD2 ARG A 10 18.795 28.306 -7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 10 20.321 27.555 -7.075 1.00 0.00 H new ATOM 0 HE ARG A 10 18.086 25.695 -6.850 1.00 0.00 H new ATOM 0 HH11 ARG A 10 20.258 27.188 -9.229 1.00 0.00 H new ATOM 0 HH12 ARG A 10 20.145 25.818 -10.339 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.984 23.951 -8.257 1.00 0.00 H new ATOM 0 HH22 ARG A 10 18.862 23.992 -9.789 1.00 0.00 H new ATOM 160 N ARG A 11 21.054 25.242 -2.367 1.00 0.00 N ATOM 161 CA ARG A 11 21.756 24.096 -1.793 1.00 0.00 C ATOM 162 C ARG A 11 21.312 23.811 -0.364 1.00 0.00 C ATOM 163 O ARG A 11 21.099 22.653 0.007 1.00 0.00 O ATOM 164 CB ARG A 11 23.260 24.312 -1.879 1.00 0.00 C ATOM 165 CG ARG A 11 23.772 24.309 -3.308 1.00 0.00 C ATOM 166 CD ARG A 11 25.190 24.835 -3.414 1.00 0.00 C ATOM 167 NE ARG A 11 26.169 24.051 -2.675 1.00 0.00 N ATOM 168 CZ ARG A 11 27.493 24.187 -2.813 1.00 0.00 C ATOM 169 NH1 ARG A 11 28.003 25.053 -3.705 1.00 0.00 N ATOM 170 NH2 ARG A 11 28.305 23.470 -2.054 1.00 0.00 N ATOM 0 H ARG A 11 21.670 26.008 -2.638 1.00 0.00 H new ATOM 0 HA ARG A 11 21.497 23.213 -2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 11 23.514 25.262 -1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 11 23.768 23.531 -1.314 1.00 0.00 H new ATOM 0 HG2 ARG A 11 23.733 23.294 -3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.114 24.918 -3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 11 25.479 24.861 -4.465 1.00 0.00 H new ATOM 0 HD3 ARG A 11 25.214 25.862 -3.051 1.00 0.00 H new ATOM 0 HE ARG A 11 25.825 23.356 -2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 11 27.379 25.614 -4.285 1.00 0.00 H new ATOM 0 HH12 ARG A 11 29.014 25.149 -3.802 1.00 0.00 H new ATOM 0 HH21 ARG A 11 27.921 22.819 -1.369 1.00 0.00 H new ATOM 0 HH22 ARG A 11 29.315 23.568 -2.153 1.00 0.00 H new ATOM 184 N GLN A 12 21.127 24.861 0.426 1.00 0.00 N ATOM 185 CA GLN A 12 20.655 24.686 1.782 1.00 0.00 C ATOM 186 C GLN A 12 19.223 24.174 1.770 1.00 0.00 C ATOM 187 O GLN A 12 18.892 23.221 2.466 1.00 0.00 O ATOM 188 CB GLN A 12 20.763 25.982 2.604 1.00 0.00 C ATOM 189 CG GLN A 12 20.271 25.829 4.042 1.00 0.00 C ATOM 190 CD GLN A 12 20.468 27.069 4.887 1.00 0.00 C ATOM 191 OE1 GLN A 12 21.501 27.241 5.526 1.00 0.00 O ATOM 192 NE2 GLN A 12 19.478 27.918 4.933 1.00 0.00 N ATOM 0 H GLN A 12 21.296 25.829 0.151 1.00 0.00 H new ATOM 0 HA GLN A 12 21.296 23.949 2.266 1.00 0.00 H new ATOM 0 HB2 GLN A 12 21.802 26.311 2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 12 20.187 26.765 2.112 1.00 0.00 H new ATOM 0 HG2 GLN A 12 19.211 25.573 4.029 1.00 0.00 H new ATOM 0 HG3 GLN A 12 20.794 24.995 4.509 1.00 0.00 H new ATOM 0 HE21 GLN A 12 18.632 27.745 4.389 1.00 0.00 H new ATOM 0 HE22 GLN A 12 19.550 28.754 5.513 1.00 0.00 H new ATOM 201 N ARG A 13 18.395 24.760 0.916 1.00 0.00 N ATOM 202 CA ARG A 13 16.999 24.384 0.841 1.00 0.00 C ATOM 203 C ARG A 13 16.847 22.942 0.339 1.00 0.00 C ATOM 204 O ARG A 13 15.895 22.246 0.708 1.00 0.00 O ATOM 205 CB ARG A 13 16.199 25.373 -0.030 1.00 0.00 C ATOM 206 CG ARG A 13 14.694 25.125 -0.037 1.00 0.00 C ATOM 207 CD ARG A 13 14.138 25.121 1.382 1.00 0.00 C ATOM 208 NE ARG A 13 12.699 24.892 1.423 1.00 0.00 N ATOM 209 CZ ARG A 13 12.107 23.715 1.675 1.00 0.00 C ATOM 210 NH1 ARG A 13 12.822 22.592 1.706 1.00 0.00 N ATOM 211 NH2 ARG A 13 10.797 23.659 1.853 1.00 0.00 N ATOM 0 H ARG A 13 18.671 25.497 0.267 1.00 0.00 H new ATOM 0 HA ARG A 13 16.584 24.430 1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.387 26.386 0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.569 25.320 -1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.197 25.897 -0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.481 24.171 -0.518 1.00 0.00 H new ATOM 0 HD2 ARG A 13 14.641 24.348 1.963 1.00 0.00 H new ATOM 0 HD3 ARG A 13 14.363 26.075 1.859 1.00 0.00 H new ATOM 0 HE ARG A 13 12.092 25.693 1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.828 22.623 1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.364 21.701 1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.238 24.510 1.799 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.346 22.764 2.045 1.00 0.00 H new ATOM 225 N LEU A 14 17.798 22.507 -0.472 1.00 0.00 N ATOM 226 CA LEU A 14 17.853 21.143 -0.982 1.00 0.00 C ATOM 227 C LEU A 14 18.027 20.160 0.182 1.00 0.00 C ATOM 228 O LEU A 14 17.363 19.115 0.245 1.00 0.00 O ATOM 229 CB LEU A 14 19.027 21.007 -1.969 1.00 0.00 C ATOM 230 CG LEU A 14 19.191 19.651 -2.659 1.00 0.00 C ATOM 231 CD1 LEU A 14 17.987 19.349 -3.532 1.00 0.00 C ATOM 232 CD2 LEU A 14 20.472 19.620 -3.481 1.00 0.00 C ATOM 0 H LEU A 14 18.563 23.097 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 14 16.923 20.914 -1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.914 21.769 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.950 21.230 -1.433 1.00 0.00 H new ATOM 0 HG LEU A 14 19.259 18.880 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 14 18.121 18.381 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 14 17.088 19.326 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.886 20.123 -4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.571 18.648 -3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.436 20.401 -4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.328 19.789 -2.828 1.00 0.00 H new ATOM 656 N ILE A 43 1.477 -1.019 -1.265 1.00 0.00 N ATOM 657 CA ILE A 43 0.821 -2.278 -0.999 1.00 0.00 C ATOM 658 C ILE A 43 -0.237 -2.593 -2.047 1.00 0.00 C ATOM 659 O ILE A 43 -0.358 -3.722 -2.488 1.00 0.00 O ATOM 660 CB ILE A 43 0.272 -2.435 0.444 1.00 0.00 C ATOM 661 CG1 ILE A 43 -0.808 -1.392 0.779 1.00 0.00 C ATOM 662 CG2 ILE A 43 1.420 -2.370 1.445 1.00 0.00 C ATOM 663 CD1 ILE A 43 -1.352 -1.529 2.174 1.00 0.00 C ATOM 0 HA ILE A 43 1.610 -3.026 -1.075 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.209 -3.411 0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.390 -0.393 0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.627 -1.485 0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.028 -2.481 2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.127 -3.174 1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.927 -1.409 1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.109 -0.764 2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.799 -2.516 2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.543 -1.407 2.894 1.00 0.00 H new ATOM 675 N LEU A 44 -0.960 -1.572 -2.485 1.00 0.00 N ATOM 676 CA LEU A 44 -2.016 -1.743 -3.475 1.00 0.00 C ATOM 677 C LEU A 44 -1.431 -2.176 -4.817 1.00 0.00 C ATOM 678 O LEU A 44 -1.924 -3.090 -5.450 1.00 0.00 O ATOM 679 CB LEU A 44 -2.818 -0.446 -3.636 1.00 0.00 C ATOM 680 CG LEU A 44 -3.527 0.080 -2.378 1.00 0.00 C ATOM 681 CD1 LEU A 44 -4.235 1.388 -2.678 1.00 0.00 C ATOM 682 CD2 LEU A 44 -4.522 -0.949 -1.841 1.00 0.00 C ATOM 0 H LEU A 44 -0.834 -0.611 -2.169 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.689 -2.525 -3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.143 0.330 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.568 -0.602 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.772 0.256 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.732 1.748 -1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.507 2.128 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.975 1.230 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.010 -0.553 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.272 -1.161 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.994 -1.868 -1.586 1.00 0.00 H new ATOM 694 N ALA A 45 -0.362 -1.531 -5.204 1.00 0.00 N ATOM 695 CA ALA A 45 0.338 -1.795 -6.449 1.00 0.00 C ATOM 696 C ALA A 45 0.923 -3.213 -6.515 1.00 0.00 C ATOM 697 O ALA A 45 1.068 -3.772 -7.598 1.00 0.00 O ATOM 698 CB ALA A 45 1.440 -0.767 -6.642 1.00 0.00 C ATOM 0 H ALA A 45 0.063 -0.786 -4.652 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.393 -1.719 -7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.964 -0.967 -7.577 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.004 0.231 -6.676 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.143 -0.827 -5.812 1.00 0.00 H new ATOM 704 N GLN A 46 1.271 -3.791 -5.377 1.00 0.00 N ATOM 705 CA GLN A 46 1.841 -5.126 -5.396 1.00 0.00 C ATOM 706 C GLN A 46 0.764 -6.196 -5.295 1.00 0.00 C ATOM 707 O GLN A 46 0.965 -7.316 -5.743 1.00 0.00 O ATOM 708 CB GLN A 46 2.903 -5.334 -4.307 1.00 0.00 C ATOM 709 CG GLN A 46 2.375 -5.269 -2.889 1.00 0.00 C ATOM 710 CD GLN A 46 3.446 -5.513 -1.862 1.00 0.00 C ATOM 711 OE1 GLN A 46 3.689 -6.651 -1.448 1.00 0.00 O ATOM 712 NE2 GLN A 46 4.094 -4.468 -1.446 1.00 0.00 N ATOM 0 H GLN A 46 1.173 -3.371 -4.453 1.00 0.00 H new ATOM 0 HA GLN A 46 2.340 -5.225 -6.360 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.376 -6.304 -4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.679 -4.578 -4.426 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.927 -4.290 -2.716 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.583 -6.008 -2.766 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.863 -3.545 -1.813 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.835 -4.570 -0.752 1.00 0.00 H new ATOM 721 N VAL A 47 -0.364 -5.872 -4.691 1.00 0.00 N ATOM 722 CA VAL A 47 -1.429 -6.856 -4.552 1.00 0.00 C ATOM 723 C VAL A 47 -2.361 -6.832 -5.748 1.00 0.00 C ATOM 724 O VAL A 47 -2.962 -7.836 -6.099 1.00 0.00 O ATOM 725 CB VAL A 47 -2.234 -6.705 -3.222 1.00 0.00 C ATOM 726 CG1 VAL A 47 -1.312 -6.821 -2.023 1.00 0.00 C ATOM 727 CG2 VAL A 47 -3.012 -5.400 -3.170 1.00 0.00 C ATOM 0 H VAL A 47 -0.568 -4.955 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.937 -7.828 -4.512 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.959 -7.518 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.892 -6.713 -1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.825 -7.796 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.556 -6.037 -2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.556 -5.338 -2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.320 -4.561 -3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.718 -5.364 -4.000 1.00 0.00 H new ATOM 737 N LEU A 48 -2.466 -5.701 -6.384 1.00 0.00 N ATOM 738 CA LEU A 48 -3.319 -5.582 -7.525 1.00 0.00 C ATOM 739 C LEU A 48 -2.491 -5.655 -8.775 1.00 0.00 C ATOM 740 O LEU A 48 -1.519 -4.902 -8.926 1.00 0.00 O ATOM 741 CB LEU A 48 -4.083 -4.248 -7.508 1.00 0.00 C ATOM 742 CG LEU A 48 -4.957 -3.960 -6.275 1.00 0.00 C ATOM 743 CD1 LEU A 48 -5.558 -2.578 -6.360 1.00 0.00 C ATOM 744 CD2 LEU A 48 -6.057 -4.988 -6.125 1.00 0.00 C ATOM 0 H LEU A 48 -1.969 -4.847 -6.129 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.041 -6.398 -7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.357 -3.441 -7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.721 -4.211 -8.391 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.313 -4.017 -5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.173 -2.394 -5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.760 -1.837 -6.408 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.176 -2.504 -7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.655 -4.755 -5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.693 -4.972 -7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.616 -5.979 -6.012 1.00 0.00 H new ATOM 756 N ASP A 49 -2.822 -6.581 -9.655 1.00 0.00 N ATOM 757 CA ASP A 49 -2.203 -6.602 -10.969 1.00 0.00 C ATOM 758 C ASP A 49 -2.633 -5.342 -11.701 1.00 0.00 C ATOM 759 O ASP A 49 -3.635 -4.740 -11.333 1.00 0.00 O ATOM 760 CB ASP A 49 -2.625 -7.849 -11.776 1.00 0.00 C ATOM 761 CG ASP A 49 -2.041 -7.867 -13.172 1.00 0.00 C ATOM 762 OD1 ASP A 49 -0.822 -7.994 -13.313 1.00 0.00 O ATOM 763 OD2 ASP A 49 -2.809 -7.720 -14.155 1.00 0.00 O ATOM 0 H ASP A 49 -3.506 -7.319 -9.489 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.119 -6.642 -10.859 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.309 -8.746 -11.243 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.713 -7.884 -11.841 1.00 0.00 H new ATOM 768 N GLN A 50 -1.900 -4.966 -12.722 1.00 0.00 N ATOM 769 CA GLN A 50 -2.168 -3.768 -13.540 1.00 0.00 C ATOM 770 C GLN A 50 -3.643 -3.702 -13.964 1.00 0.00 C ATOM 771 O GLN A 50 -4.255 -2.625 -13.965 1.00 0.00 O ATOM 772 CB GLN A 50 -1.271 -3.780 -14.790 1.00 0.00 C ATOM 773 CG GLN A 50 -1.511 -2.618 -15.750 1.00 0.00 C ATOM 774 CD GLN A 50 -0.660 -2.701 -16.994 1.00 0.00 C ATOM 775 OE1 GLN A 50 0.455 -2.168 -17.038 1.00 0.00 O ATOM 776 NE2 GLN A 50 -1.159 -3.369 -18.005 1.00 0.00 N ATOM 0 H GLN A 50 -1.077 -5.485 -13.028 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.947 -2.888 -12.936 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.228 -3.765 -14.474 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.428 -4.716 -15.326 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.563 -2.600 -16.035 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.304 -1.679 -15.236 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.083 -3.794 -17.929 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.623 -3.464 -18.868 1.00 0.00 H new ATOM 785 N SER A 51 -4.205 -4.855 -14.252 1.00 0.00 N ATOM 786 CA SER A 51 -5.577 -4.978 -14.668 1.00 0.00 C ATOM 787 C SER A 51 -6.531 -4.607 -13.517 1.00 0.00 C ATOM 788 O SER A 51 -7.425 -3.764 -13.673 1.00 0.00 O ATOM 789 CB SER A 51 -5.808 -6.408 -15.125 1.00 0.00 C ATOM 790 OG SER A 51 -5.368 -7.332 -14.128 1.00 0.00 O ATOM 0 H SER A 51 -3.710 -5.746 -14.202 1.00 0.00 H new ATOM 0 HA SER A 51 -5.780 -4.291 -15.489 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.867 -6.563 -15.330 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.273 -6.588 -16.057 1.00 0.00 H new ATOM 0 HG SER A 51 -4.509 -7.720 -14.397 1.00 0.00 H new ATOM 796 N ALA A 52 -6.304 -5.215 -12.364 1.00 0.00 N ATOM 797 CA ALA A 52 -7.098 -4.984 -11.175 1.00 0.00 C ATOM 798 C ALA A 52 -6.891 -3.569 -10.656 1.00 0.00 C ATOM 799 O ALA A 52 -7.818 -2.941 -10.165 1.00 0.00 O ATOM 800 CB ALA A 52 -6.746 -6.005 -10.105 1.00 0.00 C ATOM 0 H ALA A 52 -5.552 -5.891 -12.229 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.151 -5.098 -11.433 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.349 -5.822 -9.215 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.947 -7.009 -10.480 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.689 -5.917 -9.852 1.00 0.00 H new ATOM 806 N ARG A 53 -5.675 -3.072 -10.794 1.00 0.00 N ATOM 807 CA ARG A 53 -5.328 -1.729 -10.381 1.00 0.00 C ATOM 808 C ARG A 53 -6.151 -0.731 -11.193 1.00 0.00 C ATOM 809 O ARG A 53 -6.730 0.205 -10.645 1.00 0.00 O ATOM 810 CB ARG A 53 -3.834 -1.492 -10.610 1.00 0.00 C ATOM 811 CG ARG A 53 -3.272 -0.261 -9.916 1.00 0.00 C ATOM 812 CD ARG A 53 -3.359 -0.390 -8.396 1.00 0.00 C ATOM 813 NE ARG A 53 -2.903 0.814 -7.702 1.00 0.00 N ATOM 814 CZ ARG A 53 -3.681 1.613 -6.958 1.00 0.00 C ATOM 815 NH1 ARG A 53 -4.987 1.446 -6.942 1.00 0.00 N ATOM 816 NH2 ARG A 53 -3.150 2.600 -6.263 1.00 0.00 N ATOM 0 H ARG A 53 -4.898 -3.594 -11.198 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.545 -1.598 -9.321 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.284 -2.368 -10.267 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.654 -1.402 -11.681 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.233 -0.117 -10.212 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.821 0.623 -10.240 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.390 -0.600 -8.111 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.759 -1.241 -8.072 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.918 1.065 -7.791 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.413 0.705 -7.498 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.572 2.058 -6.373 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.143 2.758 -6.290 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.747 3.205 -5.699 1.00 0.00 H new ATOM 830 N ALA A 54 -6.221 -0.978 -12.491 1.00 0.00 N ATOM 831 CA ALA A 54 -7.017 -0.154 -13.397 1.00 0.00 C ATOM 832 C ALA A 54 -8.498 -0.272 -13.055 1.00 0.00 C ATOM 833 O ALA A 54 -9.206 0.733 -12.976 1.00 0.00 O ATOM 834 CB ALA A 54 -6.774 -0.562 -14.845 1.00 0.00 C ATOM 0 H ALA A 54 -5.733 -1.749 -12.947 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.712 0.885 -13.276 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.376 0.063 -15.505 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.719 -0.434 -15.087 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.054 -1.607 -14.980 1.00 0.00 H new ATOM 840 N ARG A 55 -8.944 -1.508 -12.812 1.00 0.00 N ATOM 841 CA ARG A 55 -10.315 -1.809 -12.464 1.00 0.00 C ATOM 842 C ARG A 55 -10.736 -1.083 -11.185 1.00 0.00 C ATOM 843 O ARG A 55 -11.882 -0.634 -11.063 1.00 0.00 O ATOM 844 CB ARG A 55 -10.471 -3.314 -12.303 1.00 0.00 C ATOM 845 CG ARG A 55 -11.893 -3.744 -12.135 1.00 0.00 C ATOM 846 CD ARG A 55 -12.729 -3.362 -13.346 1.00 0.00 C ATOM 847 NE ARG A 55 -12.249 -3.958 -14.599 1.00 0.00 N ATOM 848 CZ ARG A 55 -12.656 -3.609 -15.825 1.00 0.00 C ATOM 849 NH1 ARG A 55 -13.587 -2.667 -15.989 1.00 0.00 N ATOM 850 NH2 ARG A 55 -12.133 -4.218 -16.877 1.00 0.00 N ATOM 0 H ARG A 55 -8.345 -2.332 -12.855 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.966 -1.459 -13.265 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.048 -3.812 -13.176 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.894 -3.642 -11.438 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.934 -4.823 -11.987 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.312 -3.283 -11.240 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.761 -3.671 -13.178 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.733 -2.277 -13.447 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.549 -4.697 -14.529 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.995 -2.206 -15.176 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.891 -2.408 -16.928 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.428 -4.944 -16.748 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.435 -3.961 -17.817 1.00 0.00 H new ATOM 864 N LEU A 56 -9.803 -0.951 -10.256 1.00 0.00 N ATOM 865 CA LEU A 56 -10.056 -0.254 -9.013 1.00 0.00 C ATOM 866 C LEU A 56 -10.373 1.210 -9.294 1.00 0.00 C ATOM 867 O LEU A 56 -11.295 1.767 -8.719 1.00 0.00 O ATOM 868 CB LEU A 56 -8.862 -0.364 -8.055 1.00 0.00 C ATOM 869 CG LEU A 56 -9.075 0.260 -6.671 1.00 0.00 C ATOM 870 CD1 LEU A 56 -10.183 -0.455 -5.933 1.00 0.00 C ATOM 871 CD2 LEU A 56 -7.804 0.229 -5.861 1.00 0.00 C ATOM 0 H LEU A 56 -8.857 -1.322 -10.344 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.914 -0.723 -8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.616 -1.418 -7.927 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.998 0.111 -8.521 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.363 1.302 -6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.321 0.001 -4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.109 -0.377 -6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.920 -1.506 -5.811 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.984 0.678 -4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.480 -0.804 -5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.028 0.790 -6.381 1.00 0.00 H new ATOM 883 N SER A 57 -9.639 1.803 -10.218 1.00 0.00 N ATOM 884 CA SER A 57 -9.847 3.188 -10.596 1.00 0.00 C ATOM 885 C SER A 57 -11.228 3.348 -11.256 1.00 0.00 C ATOM 886 O SER A 57 -11.913 4.354 -11.048 1.00 0.00 O ATOM 887 CB SER A 57 -8.719 3.656 -11.531 1.00 0.00 C ATOM 888 OG SER A 57 -8.840 5.030 -11.885 1.00 0.00 O ATOM 0 H SER A 57 -8.885 1.340 -10.725 1.00 0.00 H new ATOM 0 HA SER A 57 -9.823 3.815 -9.705 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.757 3.493 -11.045 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.726 3.049 -12.436 1.00 0.00 H new ATOM 0 HG SER A 57 -8.101 5.281 -12.478 1.00 0.00 H new ATOM 894 N ASN A 58 -11.643 2.333 -12.019 1.00 0.00 N ATOM 895 CA ASN A 58 -12.959 2.331 -12.658 1.00 0.00 C ATOM 896 C ASN A 58 -14.063 2.406 -11.624 1.00 0.00 C ATOM 897 O ASN A 58 -14.959 3.258 -11.725 1.00 0.00 O ATOM 898 CB ASN A 58 -13.178 1.091 -13.551 1.00 0.00 C ATOM 899 CG ASN A 58 -12.405 1.124 -14.856 1.00 0.00 C ATOM 900 OD1 ASN A 58 -11.265 0.675 -14.934 1.00 0.00 O ATOM 901 ND2 ASN A 58 -13.030 1.614 -15.895 1.00 0.00 N ATOM 0 H ASN A 58 -11.084 1.501 -12.209 1.00 0.00 H new ATOM 0 HA ASN A 58 -12.993 3.216 -13.294 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.891 0.200 -12.993 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.241 0.999 -13.773 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.570 1.631 -16.805 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.977 1.979 -15.795 1.00 0.00 H new ATOM 908 N LEU A 59 -13.978 1.552 -10.613 1.00 0.00 N ATOM 909 CA LEU A 59 -14.985 1.492 -9.587 1.00 0.00 C ATOM 910 C LEU A 59 -14.932 2.701 -8.666 1.00 0.00 C ATOM 911 O LEU A 59 -15.961 3.221 -8.263 1.00 0.00 O ATOM 912 CB LEU A 59 -14.928 0.155 -8.815 1.00 0.00 C ATOM 913 CG LEU A 59 -13.668 -0.237 -8.047 1.00 0.00 C ATOM 914 CD1 LEU A 59 -13.724 0.313 -6.630 1.00 0.00 C ATOM 915 CD2 LEU A 59 -13.493 -1.746 -8.029 1.00 0.00 C ATOM 0 H LEU A 59 -13.212 0.890 -10.490 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.956 1.528 -10.081 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -15.753 0.158 -8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -15.130 -0.641 -9.532 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.806 0.196 -8.555 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -12.820 0.027 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.797 1.400 -6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.595 -0.093 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -12.589 -2.001 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -14.355 -2.207 -7.547 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -13.409 -2.115 -9.051 1.00 0.00 H new ATOM 927 N ALA A 60 -13.735 3.154 -8.388 1.00 0.00 N ATOM 928 CA ALA A 60 -13.470 4.326 -7.524 1.00 0.00 C ATOM 929 C ALA A 60 -14.203 5.576 -7.980 1.00 0.00 C ATOM 930 O ALA A 60 -14.515 6.461 -7.179 1.00 0.00 O ATOM 931 CB ALA A 60 -11.977 4.618 -7.469 1.00 0.00 C ATOM 0 H ALA A 60 -12.885 2.724 -8.753 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.843 4.066 -6.533 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.799 5.483 -6.830 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.452 3.753 -7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.610 4.828 -8.474 1.00 0.00 H new ATOM 937 N LEU A 61 -14.462 5.659 -9.252 1.00 0.00 N ATOM 938 CA LEU A 61 -15.096 6.820 -9.805 1.00 0.00 C ATOM 939 C LEU A 61 -16.615 6.684 -9.858 1.00 0.00 C ATOM 940 O LEU A 61 -17.322 7.678 -10.053 1.00 0.00 O ATOM 941 CB LEU A 61 -14.530 7.108 -11.190 1.00 0.00 C ATOM 942 CG LEU A 61 -13.017 7.345 -11.256 1.00 0.00 C ATOM 943 CD1 LEU A 61 -12.581 7.539 -12.682 1.00 0.00 C ATOM 944 CD2 LEU A 61 -12.611 8.545 -10.413 1.00 0.00 C ATOM 0 H LEU A 61 -14.242 4.930 -9.931 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.881 7.660 -9.145 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.777 6.271 -11.844 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -15.034 7.987 -11.592 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.520 6.464 -10.850 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.504 7.706 -12.714 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -12.827 6.650 -13.262 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -13.095 8.402 -13.105 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -11.532 8.688 -10.480 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.119 9.437 -10.781 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.890 8.371 -9.374 1.00 0.00 H new ATOM 956 N VAL A 62 -17.127 5.478 -9.669 1.00 0.00 N ATOM 957 CA VAL A 62 -18.574 5.267 -9.756 1.00 0.00 C ATOM 958 C VAL A 62 -19.182 4.836 -8.420 1.00 0.00 C ATOM 959 O VAL A 62 -20.363 5.083 -8.151 1.00 0.00 O ATOM 960 CB VAL A 62 -18.975 4.267 -10.888 1.00 0.00 C ATOM 961 CG1 VAL A 62 -18.516 4.778 -12.238 1.00 0.00 C ATOM 962 CG2 VAL A 62 -18.417 2.871 -10.640 1.00 0.00 C ATOM 0 H VAL A 62 -16.581 4.643 -9.458 1.00 0.00 H new ATOM 0 HA VAL A 62 -18.991 6.240 -10.017 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.063 4.195 -10.883 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -18.804 4.068 -13.013 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -18.981 5.743 -12.439 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -17.432 4.891 -12.235 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -18.720 2.209 -11.451 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -17.329 2.917 -10.596 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -18.802 2.488 -9.695 1.00 0.00 H new ATOM 972 N LYS A 63 -18.382 4.221 -7.588 1.00 0.00 N ATOM 973 CA LYS A 63 -18.819 3.754 -6.290 1.00 0.00 C ATOM 974 C LYS A 63 -17.682 3.904 -5.257 1.00 0.00 C ATOM 975 O LYS A 63 -17.043 2.918 -4.832 1.00 0.00 O ATOM 976 CB LYS A 63 -19.362 2.307 -6.402 1.00 0.00 C ATOM 977 CG LYS A 63 -18.391 1.303 -7.032 1.00 0.00 C ATOM 978 CD LYS A 63 -19.087 0.007 -7.415 1.00 0.00 C ATOM 979 CE LYS A 63 -19.722 -0.678 -6.222 1.00 0.00 C ATOM 980 NZ LYS A 63 -20.435 -1.908 -6.612 1.00 0.00 N ATOM 0 H LYS A 63 -17.401 4.027 -7.790 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.644 4.370 -5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -19.629 1.956 -5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -20.279 2.323 -6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -17.935 1.746 -7.917 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.584 1.089 -6.331 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -19.853 0.215 -8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.366 -0.667 -7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -18.952 -0.921 -5.490 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -20.418 0.007 -5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -20.856 -2.348 -5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -21.187 -1.673 -7.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.766 -2.572 -7.052 1.00 0.00 H new ATOM 994 N PRO A 64 -17.414 5.162 -4.838 1.00 0.00 N ATOM 995 CA PRO A 64 -16.266 5.503 -3.989 1.00 0.00 C ATOM 996 C PRO A 64 -16.382 4.986 -2.553 1.00 0.00 C ATOM 997 O PRO A 64 -15.360 4.757 -1.881 1.00 0.00 O ATOM 998 CB PRO A 64 -16.231 7.043 -4.005 1.00 0.00 C ATOM 999 CG PRO A 64 -17.208 7.457 -5.059 1.00 0.00 C ATOM 1000 CD PRO A 64 -18.217 6.359 -5.139 1.00 0.00 C ATOM 0 HA PRO A 64 -15.358 5.036 -4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.507 7.451 -3.033 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -15.230 7.410 -4.232 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -17.682 8.404 -4.801 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.710 7.600 -6.018 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -19.024 6.497 -4.420 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -18.676 6.301 -6.126 1.00 0.00 H new ATOM 1008 N GLU A 65 -17.604 4.745 -2.093 1.00 0.00 N ATOM 1009 CA GLU A 65 -17.789 4.280 -0.728 1.00 0.00 C ATOM 1010 C GLU A 65 -17.367 2.840 -0.656 1.00 0.00 C ATOM 1011 O GLU A 65 -16.795 2.382 0.341 1.00 0.00 O ATOM 1012 CB GLU A 65 -19.240 4.406 -0.211 1.00 0.00 C ATOM 1013 CG GLU A 65 -19.834 5.813 -0.166 1.00 0.00 C ATOM 1014 CD GLU A 65 -20.179 6.367 -1.520 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -21.051 5.776 -2.203 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -19.610 7.399 -1.922 1.00 0.00 O ATOM 0 H GLU A 65 -18.462 4.861 -2.632 1.00 0.00 H new ATOM 0 HA GLU A 65 -17.180 4.920 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.880 3.787 -0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -19.280 3.988 0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -20.733 5.799 0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -19.124 6.482 0.320 1.00 0.00 H new ATOM 1023 N LYS A 66 -17.619 2.128 -1.733 1.00 0.00 N ATOM 1024 CA LYS A 66 -17.265 0.739 -1.807 1.00 0.00 C ATOM 1025 C LYS A 66 -15.778 0.607 -2.088 1.00 0.00 C ATOM 1026 O LYS A 66 -15.151 -0.370 -1.688 1.00 0.00 O ATOM 1027 CB LYS A 66 -18.102 -0.029 -2.845 1.00 0.00 C ATOM 1028 CG LYS A 66 -19.622 0.213 -2.766 1.00 0.00 C ATOM 1029 CD LYS A 66 -20.195 0.103 -1.349 1.00 0.00 C ATOM 1030 CE LYS A 66 -19.972 -1.257 -0.723 1.00 0.00 C ATOM 1031 NZ LYS A 66 -20.537 -1.330 0.649 1.00 0.00 N ATOM 0 H LYS A 66 -18.070 2.496 -2.570 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.490 0.283 -0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.757 0.245 -3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.913 -1.096 -2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.843 1.205 -3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -20.129 -0.507 -3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.738 0.866 -0.719 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -21.264 0.312 -1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.431 -2.024 -1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.904 -1.471 -0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.091 -2.114 1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.353 -0.436 1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.563 -1.491 0.594 1.00 0.00 H new ATOM 1045 N THR A 67 -15.219 1.608 -2.778 1.00 0.00 N ATOM 1046 CA THR A 67 -13.795 1.638 -3.079 1.00 0.00 C ATOM 1047 C THR A 67 -13.001 1.649 -1.776 1.00 0.00 C ATOM 1048 O THR A 67 -12.032 0.912 -1.620 1.00 0.00 O ATOM 1049 CB THR A 67 -13.419 2.898 -3.854 1.00 0.00 C ATOM 1050 OG1 THR A 67 -14.343 3.099 -4.920 1.00 0.00 O ATOM 1051 CG2 THR A 67 -12.027 2.758 -4.443 1.00 0.00 C ATOM 0 H THR A 67 -15.739 2.408 -3.137 1.00 0.00 H new ATOM 0 HA THR A 67 -13.566 0.757 -3.679 1.00 0.00 H new ATOM 0 HB THR A 67 -13.443 3.745 -3.169 1.00 0.00 H new ATOM 0 HG1 THR A 67 -15.255 3.123 -4.562 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.772 3.664 -4.993 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.306 2.606 -3.640 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.002 1.904 -5.120 1.00 0.00 H new ATOM 1059 N LYS A 68 -13.461 2.467 -0.836 1.00 0.00 N ATOM 1060 CA LYS A 68 -12.838 2.601 0.458 1.00 0.00 C ATOM 1061 C LYS A 68 -12.774 1.251 1.154 1.00 0.00 C ATOM 1062 O LYS A 68 -11.743 0.892 1.720 1.00 0.00 O ATOM 1063 CB LYS A 68 -13.634 3.596 1.295 1.00 0.00 C ATOM 1064 CG LYS A 68 -13.080 3.843 2.688 1.00 0.00 C ATOM 1065 CD LYS A 68 -13.991 4.759 3.485 1.00 0.00 C ATOM 1066 CE LYS A 68 -14.070 6.162 2.895 1.00 0.00 C ATOM 1067 NZ LYS A 68 -14.975 7.029 3.671 1.00 0.00 N ATOM 0 H LYS A 68 -14.284 3.057 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.819 2.968 0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.676 4.546 0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.659 3.236 1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.966 2.893 3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.087 4.287 2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.991 4.328 3.523 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.631 4.820 4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.074 6.604 2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.417 6.104 1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.004 7.975 3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.931 6.620 3.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.630 7.104 4.649 1.00 0.00 H new ATOM 1081 N ALA A 69 -13.858 0.496 1.045 1.00 0.00 N ATOM 1082 CA ALA A 69 -13.966 -0.807 1.663 1.00 0.00 C ATOM 1083 C ALA A 69 -13.015 -1.811 1.014 1.00 0.00 C ATOM 1084 O ALA A 69 -12.297 -2.523 1.719 1.00 0.00 O ATOM 1085 CB ALA A 69 -15.401 -1.308 1.611 1.00 0.00 C ATOM 0 H ALA A 69 -14.688 0.776 0.522 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.675 -0.706 2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.461 -2.290 2.081 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -16.049 -0.611 2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.723 -1.383 0.572 1.00 0.00 H new ATOM 1091 N VAL A 70 -12.983 -1.852 -0.323 1.00 0.00 N ATOM 1092 CA VAL A 70 -12.102 -2.793 -1.009 1.00 0.00 C ATOM 1093 C VAL A 70 -10.630 -2.453 -0.790 1.00 0.00 C ATOM 1094 O VAL A 70 -9.840 -3.343 -0.490 1.00 0.00 O ATOM 1095 CB VAL A 70 -12.418 -3.005 -2.531 1.00 0.00 C ATOM 1096 CG1 VAL A 70 -13.795 -3.589 -2.718 1.00 0.00 C ATOM 1097 CG2 VAL A 70 -12.296 -1.727 -3.328 1.00 0.00 C ATOM 0 H VAL A 70 -13.543 -1.259 -0.935 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.312 -3.754 -0.540 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.673 -3.706 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.991 -3.727 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.854 -4.552 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.538 -2.911 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.525 -1.928 -4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.996 -0.987 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.279 -1.343 -3.246 1.00 0.00 H new ATOM 1107 N GLU A 71 -10.275 -1.160 -0.879 1.00 0.00 N ATOM 1108 CA GLU A 71 -8.900 -0.733 -0.639 1.00 0.00 C ATOM 1109 C GLU A 71 -8.478 -1.123 0.759 1.00 0.00 C ATOM 1110 O GLU A 71 -7.423 -1.728 0.952 1.00 0.00 O ATOM 1111 CB GLU A 71 -8.721 0.775 -0.813 1.00 0.00 C ATOM 1112 CG GLU A 71 -8.917 1.303 -2.217 1.00 0.00 C ATOM 1113 CD GLU A 71 -8.590 2.772 -2.289 1.00 0.00 C ATOM 1114 OE1 GLU A 71 -9.233 3.576 -1.587 1.00 0.00 O ATOM 1115 OE2 GLU A 71 -7.627 3.153 -2.981 1.00 0.00 O ATOM 0 H GLU A 71 -10.919 -0.405 -1.113 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.275 -1.232 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.423 1.284 -0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.718 1.044 -0.481 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.282 0.751 -2.910 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.948 1.140 -2.531 1.00 0.00 H new ATOM 1122 N ASN A 72 -9.336 -0.811 1.725 1.00 0.00 N ATOM 1123 CA ASN A 72 -9.103 -1.114 3.113 1.00 0.00 C ATOM 1124 C ASN A 72 -8.907 -2.601 3.311 1.00 0.00 C ATOM 1125 O ASN A 72 -7.996 -3.022 4.020 1.00 0.00 O ATOM 1126 CB ASN A 72 -10.280 -0.639 3.948 1.00 0.00 C ATOM 1127 CG ASN A 72 -10.059 -0.844 5.410 1.00 0.00 C ATOM 1128 OD1 ASN A 72 -10.419 -1.871 5.974 1.00 0.00 O ATOM 1129 ND2 ASN A 72 -9.482 0.122 6.033 1.00 0.00 N ATOM 0 H ASN A 72 -10.221 -0.334 1.553 1.00 0.00 H new ATOM 0 HA ASN A 72 -8.197 -0.598 3.431 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.456 0.419 3.755 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.179 -1.173 3.641 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.308 0.051 7.035 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.198 0.960 5.525 1.00 0.00 H new ATOM 1136 N TYR A 73 -9.747 -3.395 2.656 1.00 0.00 N ATOM 1137 CA TYR A 73 -9.666 -4.828 2.755 1.00 0.00 C ATOM 1138 C TYR A 73 -8.338 -5.351 2.220 1.00 0.00 C ATOM 1139 O TYR A 73 -7.752 -6.232 2.820 1.00 0.00 O ATOM 1140 CB TYR A 73 -10.862 -5.515 2.102 1.00 0.00 C ATOM 1141 CG TYR A 73 -10.853 -7.024 2.244 1.00 0.00 C ATOM 1142 CD1 TYR A 73 -10.880 -7.639 3.499 1.00 0.00 C ATOM 1143 CD2 TYR A 73 -10.835 -7.829 1.126 1.00 0.00 C ATOM 1144 CE1 TYR A 73 -10.886 -9.019 3.609 1.00 0.00 C ATOM 1145 CE2 TYR A 73 -10.842 -9.198 1.228 1.00 0.00 C ATOM 1146 CZ TYR A 73 -10.867 -9.791 2.463 1.00 0.00 C ATOM 1147 OH TYR A 73 -10.867 -11.168 2.550 1.00 0.00 O ATOM 0 H TYR A 73 -10.494 -3.057 2.049 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.705 -5.081 3.814 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.779 -5.123 2.542 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.882 -5.259 1.043 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.896 -7.031 4.392 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.815 -7.373 0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.905 -9.488 4.582 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.828 -9.807 0.336 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.017 -11.517 2.210 1.00 0.00 H new ATOM 1157 N LEU A 74 -7.847 -4.795 1.124 1.00 0.00 N ATOM 1158 CA LEU A 74 -6.528 -5.191 0.634 1.00 0.00 C ATOM 1159 C LEU A 74 -5.437 -4.776 1.617 1.00 0.00 C ATOM 1160 O LEU A 74 -4.537 -5.558 1.894 1.00 0.00 O ATOM 1161 CB LEU A 74 -6.206 -4.679 -0.787 1.00 0.00 C ATOM 1162 CG LEU A 74 -6.775 -5.468 -2.003 1.00 0.00 C ATOM 1163 CD1 LEU A 74 -6.246 -6.893 -2.029 1.00 0.00 C ATOM 1164 CD2 LEU A 74 -8.290 -5.470 -2.039 1.00 0.00 C ATOM 0 H LEU A 74 -8.323 -4.086 0.566 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.554 -6.278 0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.565 -3.652 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.121 -4.646 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.430 -4.947 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.660 -7.419 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.159 -6.876 -2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.539 -7.407 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.633 -6.034 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.675 -5.933 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.654 -4.445 -2.106 1.00 0.00 H new ATOM 1176 N ILE A 75 -5.554 -3.561 2.168 1.00 0.00 N ATOM 1177 CA ILE A 75 -4.601 -3.039 3.165 1.00 0.00 C ATOM 1178 C ILE A 75 -4.490 -4.006 4.367 1.00 0.00 C ATOM 1179 O ILE A 75 -3.386 -4.329 4.839 1.00 0.00 O ATOM 1180 CB ILE A 75 -5.032 -1.619 3.681 1.00 0.00 C ATOM 1181 CG1 ILE A 75 -5.034 -0.600 2.524 1.00 0.00 C ATOM 1182 CG2 ILE A 75 -4.124 -1.145 4.822 1.00 0.00 C ATOM 1183 CD1 ILE A 75 -5.487 0.797 2.913 1.00 0.00 C ATOM 0 H ILE A 75 -6.307 -2.912 1.939 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.631 -2.953 2.674 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.046 -1.697 4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.028 -0.539 2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.684 -0.971 1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.447 -0.160 5.158 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.184 -1.849 5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.095 -1.089 4.468 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.457 1.446 2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.506 0.755 3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.824 1.194 3.682 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.629 -4.457 4.855 1.00 0.00 N ATOM 1196 CA GLN A 76 -5.654 -5.383 5.967 1.00 0.00 C ATOM 1197 C GLN A 76 -5.273 -6.808 5.575 1.00 0.00 C ATOM 1198 O GLN A 76 -4.466 -7.437 6.248 1.00 0.00 O ATOM 1199 CB GLN A 76 -6.985 -5.340 6.739 1.00 0.00 C ATOM 1200 CG GLN A 76 -8.229 -5.460 5.903 1.00 0.00 C ATOM 1201 CD GLN A 76 -9.484 -5.480 6.737 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -9.486 -5.958 7.864 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -10.538 -4.926 6.222 1.00 0.00 N ATOM 0 H GLN A 76 -6.548 -4.197 4.498 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.876 -5.037 6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.984 -6.146 7.473 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.032 -4.403 7.294 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.275 -4.626 5.203 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.177 -6.372 5.308 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.501 -4.537 5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.404 -4.879 6.760 1.00 0.00 H new ATOM 1212 N MET A 77 -5.809 -7.294 4.470 1.00 0.00 N ATOM 1213 CA MET A 77 -5.591 -8.676 4.045 1.00 0.00 C ATOM 1214 C MET A 77 -4.132 -8.928 3.638 1.00 0.00 C ATOM 1215 O MET A 77 -3.573 -9.998 3.919 1.00 0.00 O ATOM 1216 CB MET A 77 -6.549 -9.042 2.913 1.00 0.00 C ATOM 1217 CG MET A 77 -6.505 -10.500 2.495 1.00 0.00 C ATOM 1218 SD MET A 77 -7.785 -10.941 1.290 1.00 0.00 S ATOM 1219 CE MET A 77 -7.432 -9.810 -0.056 1.00 0.00 C ATOM 0 H MET A 77 -6.403 -6.752 3.843 1.00 0.00 H new ATOM 0 HA MET A 77 -5.798 -9.322 4.898 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.565 -8.796 3.221 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.320 -8.422 2.046 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.525 -10.719 2.070 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.617 -11.128 3.379 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.851 -10.204 -0.982 1.00 0.00 H new ATOM 0 HE2 MET A 77 -7.877 -8.839 0.159 1.00 0.00 H new ATOM 0 HE3 MET A 77 -6.353 -9.699 -0.164 1.00 0.00 H new ATOM 1229 N ALA A 78 -3.503 -7.934 3.014 1.00 0.00 N ATOM 1230 CA ALA A 78 -2.103 -8.050 2.595 1.00 0.00 C ATOM 1231 C ALA A 78 -1.187 -8.181 3.799 1.00 0.00 C ATOM 1232 O ALA A 78 -0.184 -8.894 3.755 1.00 0.00 O ATOM 1233 CB ALA A 78 -1.684 -6.860 1.748 1.00 0.00 C ATOM 0 H ALA A 78 -3.938 -7.040 2.787 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.015 -8.952 1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.641 -6.973 1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.311 -6.809 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.799 -5.943 2.326 1.00 0.00 H new ATOM 1353 N LYS A 86 -0.436 -11.246 -7.197 1.00 0.00 N ATOM 1354 CA LYS A 86 -1.306 -10.277 -7.787 1.00 0.00 C ATOM 1355 C LYS A 86 -2.710 -10.831 -7.814 1.00 0.00 C ATOM 1356 O LYS A 86 -2.903 -12.032 -8.017 1.00 0.00 O ATOM 1357 CB LYS A 86 -0.882 -10.005 -9.217 1.00 0.00 C ATOM 1358 CG LYS A 86 0.519 -9.467 -9.402 1.00 0.00 C ATOM 1359 CD LYS A 86 0.705 -8.105 -8.766 1.00 0.00 C ATOM 1360 CE LYS A 86 2.126 -7.598 -8.967 1.00 0.00 C ATOM 1361 NZ LYS A 86 3.132 -8.485 -8.336 1.00 0.00 N ATOM 0 HA LYS A 86 -1.261 -9.357 -7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.972 -10.931 -9.784 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.583 -9.294 -9.654 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.234 -10.167 -8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.742 -9.401 -10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.002 -7.398 -9.200 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.484 -8.164 -7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.334 -7.518 -10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.215 -6.595 -8.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.043 -7.987 -8.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.814 -8.747 -7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.246 -9.344 -8.911 1.00 0.00 H new ATOM 1375 N VAL A 87 -3.670 -9.999 -7.581 1.00 0.00 N ATOM 1376 CA VAL A 87 -5.036 -10.414 -7.667 1.00 0.00 C ATOM 1377 C VAL A 87 -5.519 -10.188 -9.098 1.00 0.00 C ATOM 1378 O VAL A 87 -4.995 -9.309 -9.818 1.00 0.00 O ATOM 1379 CB VAL A 87 -5.950 -9.646 -6.657 1.00 0.00 C ATOM 1380 CG1 VAL A 87 -6.443 -8.306 -7.194 1.00 0.00 C ATOM 1381 CG2 VAL A 87 -7.100 -10.512 -6.166 1.00 0.00 C ATOM 0 H VAL A 87 -3.535 -9.020 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.098 -11.470 -7.404 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.320 -9.414 -5.798 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.072 -7.823 -6.446 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.589 -7.667 -7.417 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -7.021 -8.469 -8.103 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -7.712 -9.942 -5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -7.711 -10.821 -7.014 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.703 -11.395 -5.665 1.00 0.00 H new ATOM 1391 N SER A 88 -6.437 -10.988 -9.522 1.00 0.00 N ATOM 1392 CA SER A 88 -7.024 -10.846 -10.817 1.00 0.00 C ATOM 1393 C SER A 88 -8.202 -9.868 -10.695 1.00 0.00 C ATOM 1394 O SER A 88 -8.674 -9.612 -9.570 1.00 0.00 O ATOM 1395 CB SER A 88 -7.506 -12.216 -11.264 1.00 0.00 C ATOM 1396 OG SER A 88 -6.530 -13.213 -10.956 1.00 0.00 O ATOM 0 H SER A 88 -6.807 -11.767 -8.977 1.00 0.00 H new ATOM 0 HA SER A 88 -6.313 -10.461 -11.548 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.448 -12.456 -10.771 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.701 -12.208 -12.336 1.00 0.00 H new ATOM 0 HG SER A 88 -6.855 -14.090 -11.248 1.00 0.00 H new ATOM 1402 N GLU A 89 -8.681 -9.333 -11.814 1.00 0.00 N ATOM 1403 CA GLU A 89 -9.814 -8.400 -11.801 1.00 0.00 C ATOM 1404 C GLU A 89 -11.023 -9.057 -11.178 1.00 0.00 C ATOM 1405 O GLU A 89 -11.660 -8.496 -10.298 1.00 0.00 O ATOM 1406 CB GLU A 89 -10.180 -7.944 -13.203 1.00 0.00 C ATOM 1407 CG GLU A 89 -9.115 -7.160 -13.917 1.00 0.00 C ATOM 1408 CD GLU A 89 -9.567 -6.740 -15.282 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -10.402 -5.818 -15.383 1.00 0.00 O ATOM 1410 OE2 GLU A 89 -9.098 -7.314 -16.283 1.00 0.00 O ATOM 0 H GLU A 89 -8.306 -9.526 -12.743 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.510 -7.532 -11.216 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.426 -8.821 -13.801 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.082 -7.334 -13.146 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.856 -6.278 -13.331 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.211 -7.764 -14.001 1.00 0.00 H new ATOM 1417 N GLN A 90 -11.276 -10.281 -11.587 1.00 0.00 N ATOM 1418 CA GLN A 90 -12.407 -11.052 -11.096 1.00 0.00 C ATOM 1419 C GLN A 90 -12.222 -11.438 -9.631 1.00 0.00 C ATOM 1420 O GLN A 90 -13.187 -11.749 -8.932 1.00 0.00 O ATOM 1421 CB GLN A 90 -12.684 -12.286 -11.971 1.00 0.00 C ATOM 1422 CG GLN A 90 -13.453 -12.008 -13.277 1.00 0.00 C ATOM 1423 CD GLN A 90 -12.762 -11.064 -14.253 1.00 0.00 C ATOM 1424 OE1 GLN A 90 -12.948 -9.846 -14.203 1.00 0.00 O ATOM 1425 NE2 GLN A 90 -12.013 -11.607 -15.167 1.00 0.00 N ATOM 0 H GLN A 90 -10.704 -10.775 -12.272 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.286 -10.410 -11.161 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.732 -12.754 -12.222 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.249 -13.009 -11.383 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.633 -12.957 -13.782 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -14.428 -11.592 -13.023 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.879 -12.618 -15.182 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -11.560 -11.022 -15.869 1.00 0.00 H new ATOM 1434 N GLY A 91 -10.984 -11.376 -9.167 1.00 0.00 N ATOM 1435 CA GLY A 91 -10.689 -11.647 -7.783 1.00 0.00 C ATOM 1436 C GLY A 91 -11.032 -10.445 -6.938 1.00 0.00 C ATOM 1437 O GLY A 91 -11.563 -10.575 -5.834 1.00 0.00 O ATOM 0 H GLY A 91 -10.171 -11.139 -9.736 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.257 -12.514 -7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.633 -11.893 -7.669 1.00 0.00 H new ATOM 1441 N LEU A 92 -10.741 -9.265 -7.479 1.00 0.00 N ATOM 1442 CA LEU A 92 -11.068 -8.000 -6.834 1.00 0.00 C ATOM 1443 C LEU A 92 -12.581 -7.797 -6.860 1.00 0.00 C ATOM 1444 O LEU A 92 -13.179 -7.346 -5.888 1.00 0.00 O ATOM 1445 CB LEU A 92 -10.362 -6.835 -7.549 1.00 0.00 C ATOM 1446 CG LEU A 92 -10.625 -5.426 -6.991 1.00 0.00 C ATOM 1447 CD1 LEU A 92 -10.108 -5.290 -5.563 1.00 0.00 C ATOM 1448 CD2 LEU A 92 -10.008 -4.368 -7.889 1.00 0.00 C ATOM 0 H LEU A 92 -10.271 -9.161 -8.378 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.724 -8.025 -5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.288 -7.018 -7.520 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.660 -6.848 -8.597 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.704 -5.273 -6.970 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.309 -4.283 -5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.611 -6.015 -4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.034 -5.474 -5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.206 -3.379 -7.475 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.931 -4.526 -7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.443 -4.438 -8.886 1.00 0.00 H new ATOM 1460 N ILE A 93 -13.189 -8.157 -7.978 1.00 0.00 N ATOM 1461 CA ILE A 93 -14.634 -8.078 -8.141 1.00 0.00 C ATOM 1462 C ILE A 93 -15.340 -9.011 -7.149 1.00 0.00 C ATOM 1463 O ILE A 93 -16.394 -8.677 -6.622 1.00 0.00 O ATOM 1464 CB ILE A 93 -15.061 -8.385 -9.614 1.00 0.00 C ATOM 1465 CG1 ILE A 93 -14.505 -7.296 -10.552 1.00 0.00 C ATOM 1466 CG2 ILE A 93 -16.584 -8.492 -9.749 1.00 0.00 C ATOM 1467 CD1 ILE A 93 -14.736 -7.554 -12.027 1.00 0.00 C ATOM 0 H ILE A 93 -12.697 -8.512 -8.798 1.00 0.00 H new ATOM 0 HA ILE A 93 -14.942 -7.056 -7.923 1.00 0.00 H new ATOM 0 HB ILE A 93 -14.644 -9.351 -9.898 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -14.960 -6.341 -10.288 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.434 -7.197 -10.378 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -16.843 -8.706 -10.786 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -16.950 -9.296 -9.110 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -17.043 -7.551 -9.447 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -14.312 -6.737 -12.610 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -14.256 -8.490 -12.312 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -15.806 -7.621 -12.221 1.00 0.00 H new ATOM 1479 N GLU A 94 -14.713 -10.149 -6.855 1.00 0.00 N ATOM 1480 CA GLU A 94 -15.258 -11.105 -5.893 1.00 0.00 C ATOM 1481 C GLU A 94 -15.325 -10.428 -4.503 1.00 0.00 C ATOM 1482 O GLU A 94 -16.267 -10.624 -3.731 1.00 0.00 O ATOM 1483 CB GLU A 94 -14.360 -12.348 -5.834 1.00 0.00 C ATOM 1484 CG GLU A 94 -15.017 -13.572 -5.225 1.00 0.00 C ATOM 1485 CD GLU A 94 -16.145 -14.087 -6.091 1.00 0.00 C ATOM 1486 OE1 GLU A 94 -15.892 -14.874 -7.022 1.00 0.00 O ATOM 1487 OE2 GLU A 94 -17.296 -13.695 -5.893 1.00 0.00 O ATOM 0 H GLU A 94 -13.825 -10.432 -7.270 1.00 0.00 H new ATOM 0 HA GLU A 94 -16.258 -11.413 -6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -14.033 -12.592 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.466 -12.107 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.272 -14.357 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -15.401 -13.325 -4.235 1.00 0.00 H new ATOM 1494 N ILE A 95 -14.331 -9.594 -4.233 1.00 0.00 N ATOM 1495 CA ILE A 95 -14.257 -8.822 -3.003 1.00 0.00 C ATOM 1496 C ILE A 95 -15.340 -7.739 -3.017 1.00 0.00 C ATOM 1497 O ILE A 95 -16.080 -7.564 -2.047 1.00 0.00 O ATOM 1498 CB ILE A 95 -12.863 -8.145 -2.854 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -11.757 -9.208 -2.816 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -12.814 -7.263 -1.609 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -10.347 -8.652 -2.773 1.00 0.00 C ATOM 0 H ILE A 95 -13.548 -9.434 -4.867 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.409 -9.499 -2.162 1.00 0.00 H new ATOM 0 HB ILE A 95 -12.697 -7.505 -3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.910 -9.842 -1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.855 -9.847 -3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.830 -6.802 -1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -13.574 -6.485 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.003 -7.871 -0.725 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -9.632 -9.474 -2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -10.169 -8.043 -3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -10.225 -8.038 -1.881 1.00 0.00 H new ATOM 1513 N LEU A 96 -15.445 -7.061 -4.149 1.00 0.00 N ATOM 1514 CA LEU A 96 -16.392 -5.974 -4.354 1.00 0.00 C ATOM 1515 C LEU A 96 -17.840 -6.435 -4.105 1.00 0.00 C ATOM 1516 O LEU A 96 -18.687 -5.649 -3.657 1.00 0.00 O ATOM 1517 CB LEU A 96 -16.237 -5.406 -5.771 1.00 0.00 C ATOM 1518 CG LEU A 96 -17.044 -4.146 -6.096 1.00 0.00 C ATOM 1519 CD1 LEU A 96 -16.577 -2.965 -5.253 1.00 0.00 C ATOM 1520 CD2 LEU A 96 -16.944 -3.821 -7.574 1.00 0.00 C ATOM 0 H LEU A 96 -14.865 -7.253 -4.966 1.00 0.00 H new ATOM 0 HA LEU A 96 -16.172 -5.188 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.182 -5.187 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.517 -6.183 -6.482 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.089 -4.339 -5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.167 -2.083 -5.504 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.706 -3.199 -4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.524 -2.767 -5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.523 -2.923 -7.789 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.900 -3.652 -7.840 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.337 -4.654 -8.157 1.00 0.00 H new ATOM 1532 N LYS A 97 -18.111 -7.698 -4.389 1.00 0.00 N ATOM 1533 CA LYS A 97 -19.424 -8.273 -4.153 1.00 0.00 C ATOM 1534 C LYS A 97 -19.734 -8.309 -2.664 1.00 0.00 C ATOM 1535 O LYS A 97 -20.760 -7.773 -2.229 1.00 0.00 O ATOM 1536 CB LYS A 97 -19.509 -9.693 -4.692 1.00 0.00 C ATOM 1537 CG LYS A 97 -19.220 -9.835 -6.164 1.00 0.00 C ATOM 1538 CD LYS A 97 -19.200 -11.292 -6.541 1.00 0.00 C ATOM 1539 CE LYS A 97 -18.663 -11.518 -7.933 1.00 0.00 C ATOM 1540 NZ LYS A 97 -18.501 -12.958 -8.204 1.00 0.00 N ATOM 0 H LYS A 97 -17.433 -8.349 -4.786 1.00 0.00 H new ATOM 0 HA LYS A 97 -20.147 -7.643 -4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.809 -10.318 -4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.508 -10.081 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -19.978 -9.310 -6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.261 -9.375 -6.402 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.589 -11.842 -5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -20.210 -11.696 -6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.341 -11.080 -8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -17.704 -11.012 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -17.685 -13.103 -8.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.343 -13.464 -7.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.360 -13.324 -8.662 1.00 0.00 H new ATOM 1554 N LYS A 98 -18.838 -8.910 -1.873 1.00 0.00 N ATOM 1555 CA LYS A 98 -19.068 -9.075 -0.456 1.00 0.00 C ATOM 1556 C LYS A 98 -19.042 -7.772 0.297 1.00 0.00 C ATOM 1557 O LYS A 98 -19.866 -7.575 1.176 1.00 0.00 O ATOM 1558 CB LYS A 98 -18.147 -10.158 0.146 1.00 0.00 C ATOM 1559 CG LYS A 98 -16.650 -9.914 0.014 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.879 -11.112 0.536 1.00 0.00 C ATOM 1561 CE LYS A 98 -14.372 -10.863 0.574 1.00 0.00 C ATOM 1562 NZ LYS A 98 -13.613 -12.048 1.056 1.00 0.00 N ATOM 0 H LYS A 98 -17.949 -9.287 -2.202 1.00 0.00 H new ATOM 0 HA LYS A 98 -20.087 -9.442 -0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -18.386 -10.261 1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.382 -11.111 -0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.394 -9.733 -1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.369 -9.020 0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.229 -11.357 1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -16.086 -11.977 -0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.026 -10.595 -0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -14.163 -10.013 1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.739 -11.734 1.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.195 -12.581 1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.373 -12.659 0.249 1.00 0.00 H new ATOM 1576 N VAL A 99 -18.186 -6.829 -0.117 1.00 0.00 N ATOM 1577 CA VAL A 99 -18.087 -5.530 0.583 1.00 0.00 C ATOM 1578 C VAL A 99 -19.392 -4.736 0.541 1.00 0.00 C ATOM 1579 O VAL A 99 -19.531 -3.754 1.246 1.00 0.00 O ATOM 1580 CB VAL A 99 -16.919 -4.626 0.098 1.00 0.00 C ATOM 1581 CG1 VAL A 99 -15.586 -5.338 0.197 1.00 0.00 C ATOM 1582 CG2 VAL A 99 -17.161 -4.104 -1.307 1.00 0.00 C ATOM 0 H VAL A 99 -17.561 -6.931 -0.916 1.00 0.00 H new ATOM 0 HA VAL A 99 -17.872 -5.812 1.614 1.00 0.00 H new ATOM 0 HB VAL A 99 -16.882 -3.765 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.793 -4.676 -0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -15.398 -5.616 1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -15.606 -6.235 -0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -16.323 -3.476 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -17.254 -4.943 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -18.079 -3.517 -1.324 1.00 0.00 H new ATOM 1592 N SER A 100 -20.315 -5.134 -0.314 1.00 0.00 N ATOM 1593 CA SER A 100 -21.615 -4.523 -0.353 1.00 0.00 C ATOM 1594 C SER A 100 -22.318 -4.704 1.014 1.00 0.00 C ATOM 1595 O SER A 100 -22.812 -3.737 1.602 1.00 0.00 O ATOM 1596 CB SER A 100 -22.432 -5.150 -1.467 1.00 0.00 C ATOM 1597 OG SER A 100 -21.691 -5.162 -2.690 1.00 0.00 O ATOM 0 H SER A 100 -20.180 -5.884 -0.992 1.00 0.00 H new ATOM 0 HA SER A 100 -21.517 -3.455 -0.550 1.00 0.00 H new ATOM 0 HB2 SER A 100 -22.709 -6.168 -1.193 1.00 0.00 H new ATOM 0 HB3 SER A 100 -23.359 -4.593 -1.603 1.00 0.00 H new ATOM 0 HG SER A 100 -21.233 -6.023 -2.786 1.00 0.00 H new