USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 807 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 48 CYS SG : rot 168:sc= -1.4 USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0.356 USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 21 THR OG1 : rot 86:sc= 0.369 USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -120:sc= 0.0123 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0573 K(o=-0.057,f=-1.7!) USER MOD Single : A 14 HIS : no HD1:sc= -0.0231 X(o=-0.023,f=-0.023) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 25 THR OG1 : rot 21:sc= -0.267 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 58:sc= -1.23 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.258 USER MOD Single : A 59 ASN : amide:sc= -0.8! C(o=-0.8!,f=-14!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 180:sc=0.000649 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -54:sc= 0.053 USER MOD Single : A 87 ASN : amide:sc= -1.59 K(o=-1.6,f=-8.1!) USER MOD Single : A 92 SER OG : rot 180:sc= 0.244 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 99 GLN : amide:sc=-0.00395 X(o=-0.0039,f=-0.0099) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.054 30.304 -3.489 1.00 0.00 N ATOM 2 CA GLY A 1 6.806 29.004 -2.888 1.00 0.00 C ATOM 3 C GLY A 1 6.688 29.117 -1.367 1.00 0.00 C ATOM 4 O GLY A 1 7.667 29.417 -0.685 1.00 0.00 O ATOM 0 H1 GLY A 1 7.130 30.201 -4.521 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.268 30.947 -3.262 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.941 30.696 -3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.889 28.579 -3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.616 28.321 -3.144 1.00 0.00 H new ATOM 8 N SER A 2 5.481 28.871 -0.879 1.00 0.00 N ATOM 9 CA SER A 2 5.222 28.940 0.549 1.00 0.00 C ATOM 10 C SER A 2 5.828 27.723 1.251 1.00 0.00 C ATOM 11 O SER A 2 5.673 26.594 0.787 1.00 0.00 O ATOM 12 CB SER A 2 3.722 29.025 0.833 1.00 0.00 C ATOM 13 OG SER A 2 3.443 29.038 2.231 1.00 0.00 O ATOM 0 H SER A 2 4.671 28.623 -1.448 1.00 0.00 H new ATOM 0 HA SER A 2 5.689 29.845 0.938 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.317 29.927 0.374 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.217 28.177 0.370 1.00 0.00 H new ATOM 0 HG SER A 2 2.475 29.095 2.371 1.00 0.00 H new ATOM 19 N SER A 3 6.505 27.993 2.357 1.00 0.00 N ATOM 20 CA SER A 3 7.134 26.934 3.127 1.00 0.00 C ATOM 21 C SER A 3 6.136 26.353 4.131 1.00 0.00 C ATOM 22 O SER A 3 6.157 26.708 5.308 1.00 0.00 O ATOM 23 CB SER A 3 8.380 27.446 3.853 1.00 0.00 C ATOM 24 OG SER A 3 9.548 27.347 3.043 1.00 0.00 O ATOM 0 H SER A 3 6.632 28.930 2.738 1.00 0.00 H new ATOM 0 HA SER A 3 7.445 26.149 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.228 28.485 4.145 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.525 26.875 4.770 1.00 0.00 H new ATOM 0 HG SER A 3 10.321 27.685 3.541 1.00 0.00 H new ATOM 30 N GLY A 4 5.287 25.470 3.628 1.00 0.00 N ATOM 31 CA GLY A 4 4.283 24.836 4.466 1.00 0.00 C ATOM 32 C GLY A 4 3.454 23.831 3.664 1.00 0.00 C ATOM 33 O GLY A 4 3.706 23.619 2.479 1.00 0.00 O ATOM 0 H GLY A 4 5.273 25.178 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.768 24.329 5.300 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.628 25.596 4.892 1.00 0.00 H new ATOM 37 N SER A 5 2.482 23.239 4.342 1.00 0.00 N ATOM 38 CA SER A 5 1.614 22.262 3.707 1.00 0.00 C ATOM 39 C SER A 5 2.442 21.078 3.202 1.00 0.00 C ATOM 40 O SER A 5 3.333 21.249 2.372 1.00 0.00 O ATOM 41 CB SER A 5 0.827 22.889 2.556 1.00 0.00 C ATOM 42 OG SER A 5 -0.487 22.348 2.449 1.00 0.00 O ATOM 0 H SER A 5 2.276 23.417 5.325 1.00 0.00 H new ATOM 0 HA SER A 5 0.898 21.907 4.448 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.764 23.967 2.705 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.363 22.727 1.621 1.00 0.00 H new ATOM 0 HG SER A 5 -0.957 22.776 1.703 1.00 0.00 H new ATOM 48 N SER A 6 2.117 19.904 3.723 1.00 0.00 N ATOM 49 CA SER A 6 2.819 18.693 3.335 1.00 0.00 C ATOM 50 C SER A 6 2.344 17.516 4.189 1.00 0.00 C ATOM 51 O SER A 6 2.066 17.679 5.376 1.00 0.00 O ATOM 52 CB SER A 6 4.333 18.868 3.466 1.00 0.00 C ATOM 53 OG SER A 6 4.691 19.535 4.673 1.00 0.00 O ATOM 0 H SER A 6 1.377 19.766 4.411 1.00 0.00 H new ATOM 0 HA SER A 6 2.594 18.488 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.815 17.891 3.435 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.707 19.435 2.614 1.00 0.00 H new ATOM 0 HG SER A 6 5.666 19.626 4.720 1.00 0.00 H new ATOM 59 N GLY A 7 2.266 16.357 3.553 1.00 0.00 N ATOM 60 CA GLY A 7 1.830 15.153 4.240 1.00 0.00 C ATOM 61 C GLY A 7 1.534 14.030 3.244 1.00 0.00 C ATOM 62 O GLY A 7 1.049 14.284 2.142 1.00 0.00 O ATOM 0 H GLY A 7 2.498 16.226 2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.601 14.830 4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.937 15.368 4.827 1.00 0.00 H new ATOM 66 N PRO A 8 1.846 12.780 3.679 1.00 0.00 N ATOM 67 CA PRO A 8 1.618 11.617 2.838 1.00 0.00 C ATOM 68 C PRO A 8 0.130 11.264 2.781 1.00 0.00 C ATOM 69 O PRO A 8 -0.579 11.386 3.779 1.00 0.00 O ATOM 70 CB PRO A 8 2.467 10.515 3.452 1.00 0.00 C ATOM 71 CG PRO A 8 2.772 10.966 4.871 1.00 0.00 C ATOM 72 CD PRO A 8 2.421 12.441 4.977 1.00 0.00 C ATOM 0 HA PRO A 8 1.901 11.787 1.799 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.934 9.564 3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.385 10.367 2.883 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.195 10.384 5.589 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.825 10.806 5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.711 12.622 5.784 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.304 13.044 5.188 1.00 0.00 H new ATOM 80 N THR A 9 -0.298 10.832 1.604 1.00 0.00 N ATOM 81 CA THR A 9 -1.689 10.461 1.404 1.00 0.00 C ATOM 82 C THR A 9 -2.122 9.432 2.451 1.00 0.00 C ATOM 83 O THR A 9 -1.328 9.036 3.303 1.00 0.00 O ATOM 84 CB THR A 9 -1.844 9.965 -0.035 1.00 0.00 C ATOM 85 OG1 THR A 9 -0.814 8.991 -0.180 1.00 0.00 O ATOM 86 CG2 THR A 9 -1.488 11.039 -1.065 1.00 0.00 C ATOM 0 H THR A 9 0.294 10.731 0.779 1.00 0.00 H new ATOM 0 HA THR A 9 -2.350 11.317 1.541 1.00 0.00 H new ATOM 0 HB THR A 9 -2.870 9.633 -0.196 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.208 9.261 -0.901 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.615 10.636 -2.070 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.143 11.900 -0.934 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.452 11.347 -0.926 1.00 0.00 H new ATOM 94 N SER A 10 -3.380 9.029 2.353 1.00 0.00 N ATOM 95 CA SER A 10 -3.928 8.054 3.280 1.00 0.00 C ATOM 96 C SER A 10 -3.375 6.663 2.964 1.00 0.00 C ATOM 97 O SER A 10 -3.440 6.210 1.822 1.00 0.00 O ATOM 98 CB SER A 10 -5.457 8.042 3.228 1.00 0.00 C ATOM 99 OG SER A 10 -6.037 8.436 4.468 1.00 0.00 O ATOM 0 H SER A 10 -4.036 9.360 1.645 1.00 0.00 H new ATOM 0 HA SER A 10 -3.629 8.336 4.289 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.798 8.712 2.439 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.803 7.042 2.968 1.00 0.00 H new ATOM 0 HG SER A 10 -7.014 8.417 4.393 1.00 0.00 H new ATOM 105 N ALA A 11 -2.844 6.023 3.996 1.00 0.00 N ATOM 106 CA ALA A 11 -2.281 4.693 3.842 1.00 0.00 C ATOM 107 C ALA A 11 -3.244 3.827 3.028 1.00 0.00 C ATOM 108 O ALA A 11 -4.421 4.158 2.894 1.00 0.00 O ATOM 109 CB ALA A 11 -1.988 4.100 5.222 1.00 0.00 C ATOM 0 H ALA A 11 -2.792 6.401 4.942 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.337 4.736 3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.565 3.102 5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.277 4.737 5.748 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.913 4.039 5.795 1.00 0.00 H new ATOM 115 N PRO A 12 -2.694 2.704 2.491 1.00 0.00 N ATOM 116 CA PRO A 12 -3.492 1.788 1.694 1.00 0.00 C ATOM 117 C PRO A 12 -4.417 0.953 2.580 1.00 0.00 C ATOM 118 O PRO A 12 -4.216 0.871 3.791 1.00 0.00 O ATOM 119 CB PRO A 12 -2.481 0.947 0.932 1.00 0.00 C ATOM 120 CG PRO A 12 -1.164 1.105 1.674 1.00 0.00 C ATOM 121 CD PRO A 12 -1.304 2.280 2.629 1.00 0.00 C ATOM 0 HA PRO A 12 -4.162 2.303 1.005 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.788 -0.098 0.899 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.391 1.285 -0.100 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.923 0.194 2.222 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.349 1.279 0.972 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.079 1.986 3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.616 3.085 2.370 1.00 0.00 H new ATOM 129 N GLN A 13 -5.412 0.353 1.943 1.00 0.00 N ATOM 130 CA GLN A 13 -6.369 -0.474 2.659 1.00 0.00 C ATOM 131 C GLN A 13 -6.879 -1.598 1.755 1.00 0.00 C ATOM 132 O GLN A 13 -6.680 -1.564 0.542 1.00 0.00 O ATOM 133 CB GLN A 13 -7.529 0.369 3.193 1.00 0.00 C ATOM 134 CG GLN A 13 -7.800 1.569 2.284 1.00 0.00 C ATOM 135 CD GLN A 13 -9.257 2.022 2.394 1.00 0.00 C ATOM 136 OE1 GLN A 13 -10.039 1.503 3.174 1.00 0.00 O ATOM 137 NE2 GLN A 13 -9.578 3.017 1.571 1.00 0.00 N ATOM 0 H GLN A 13 -5.576 0.423 0.939 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.865 -0.923 3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.426 -0.246 3.266 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.297 0.716 4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.138 2.392 2.555 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.574 1.305 1.251 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.875 3.406 0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.527 3.390 1.568 1.00 0.00 H new ATOM 146 N HIS A 14 -7.528 -2.569 2.382 1.00 0.00 N ATOM 147 CA HIS A 14 -8.068 -3.702 1.650 1.00 0.00 C ATOM 148 C HIS A 14 -6.922 -4.520 1.051 1.00 0.00 C ATOM 149 O HIS A 14 -7.050 -5.066 -0.043 1.00 0.00 O ATOM 150 CB HIS A 14 -9.078 -3.238 0.598 1.00 0.00 C ATOM 151 CG HIS A 14 -10.386 -2.753 1.176 1.00 0.00 C ATOM 152 ND1 HIS A 14 -11.480 -3.582 1.355 1.00 0.00 N ATOM 153 CD2 HIS A 14 -10.763 -1.517 1.612 1.00 0.00 C ATOM 154 CE1 HIS A 14 -12.466 -2.866 1.876 1.00 0.00 C ATOM 155 NE2 HIS A 14 -12.020 -1.587 2.034 1.00 0.00 N ATOM 0 H HIS A 14 -7.692 -2.594 3.388 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.615 -4.353 2.332 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.632 -2.436 0.010 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.278 -4.062 -0.087 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.144 -0.632 1.614 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.450 -3.231 2.131 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.563 -0.812 2.414 1.00 0.00 H new ATOM 163 N LEU A 15 -5.827 -4.578 1.795 1.00 0.00 N ATOM 164 CA LEU A 15 -4.659 -5.319 1.351 1.00 0.00 C ATOM 165 C LEU A 15 -4.778 -6.773 1.812 1.00 0.00 C ATOM 166 O LEU A 15 -4.643 -7.065 2.999 1.00 0.00 O ATOM 167 CB LEU A 15 -3.376 -4.629 1.820 1.00 0.00 C ATOM 168 CG LEU A 15 -2.065 -5.311 1.424 1.00 0.00 C ATOM 169 CD1 LEU A 15 -1.769 -5.111 -0.063 1.00 0.00 C ATOM 170 CD2 LEU A 15 -0.910 -4.833 2.307 1.00 0.00 C ATOM 0 H LEU A 15 -5.724 -4.124 2.702 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.607 -5.332 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.368 -3.613 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.407 -4.548 2.907 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.175 -6.383 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.832 -5.606 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.578 -5.539 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.686 -4.045 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.010 -5.333 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.790 -3.755 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.126 -5.070 3.349 1.00 0.00 H new ATOM 182 N THR A 16 -5.029 -7.647 0.848 1.00 0.00 N ATOM 183 CA THR A 16 -5.168 -9.064 1.140 1.00 0.00 C ATOM 184 C THR A 16 -4.503 -9.902 0.046 1.00 0.00 C ATOM 185 O THR A 16 -4.122 -9.375 -0.998 1.00 0.00 O ATOM 186 CB THR A 16 -6.657 -9.367 1.317 1.00 0.00 C ATOM 187 OG1 THR A 16 -7.296 -8.548 0.341 1.00 0.00 O ATOM 188 CG2 THR A 16 -7.205 -8.854 2.650 1.00 0.00 C ATOM 0 H THR A 16 -5.140 -7.401 -0.136 1.00 0.00 H new ATOM 0 HA THR A 16 -4.656 -9.329 2.065 1.00 0.00 H new ATOM 0 HB THR A 16 -6.819 -10.443 1.248 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.266 -8.683 0.385 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.265 -9.095 2.724 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.667 -9.327 3.471 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.074 -7.773 2.706 1.00 0.00 H new ATOM 196 N VAL A 17 -4.385 -11.192 0.323 1.00 0.00 N ATOM 197 CA VAL A 17 -3.772 -12.107 -0.625 1.00 0.00 C ATOM 198 C VAL A 17 -4.859 -12.716 -1.514 1.00 0.00 C ATOM 199 O VAL A 17 -5.787 -13.353 -1.018 1.00 0.00 O ATOM 200 CB VAL A 17 -2.951 -13.161 0.121 1.00 0.00 C ATOM 201 CG1 VAL A 17 -2.414 -14.221 -0.842 1.00 0.00 C ATOM 202 CG2 VAL A 17 -1.813 -12.511 0.911 1.00 0.00 C ATOM 0 H VAL A 17 -4.703 -11.625 1.190 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.079 -11.575 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.611 -13.658 0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.834 -14.958 -0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.248 -14.716 -1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.777 -13.746 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.245 -13.282 1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.155 -11.975 0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.227 -11.812 1.638 1.00 0.00 H new ATOM 212 N GLU A 18 -4.707 -12.498 -2.812 1.00 0.00 N ATOM 213 CA GLU A 18 -5.663 -13.017 -3.775 1.00 0.00 C ATOM 214 C GLU A 18 -5.283 -14.440 -4.186 1.00 0.00 C ATOM 215 O GLU A 18 -6.147 -15.307 -4.307 1.00 0.00 O ATOM 216 CB GLU A 18 -5.763 -12.101 -4.996 1.00 0.00 C ATOM 217 CG GLU A 18 -6.493 -10.802 -4.650 1.00 0.00 C ATOM 218 CD GLU A 18 -7.903 -11.088 -4.129 1.00 0.00 C ATOM 219 OE1 GLU A 18 -8.815 -11.179 -4.980 1.00 0.00 O ATOM 220 OE2 GLU A 18 -8.038 -11.209 -2.893 1.00 0.00 O ATOM 0 H GLU A 18 -3.936 -11.969 -3.219 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.645 -13.047 -3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.764 -11.873 -5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.291 -12.616 -5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.928 -10.252 -3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.550 -10.166 -5.533 1.00 0.00 H new ATOM 227 N ASP A 19 -3.989 -14.638 -4.390 1.00 0.00 N ATOM 228 CA ASP A 19 -3.484 -15.941 -4.785 1.00 0.00 C ATOM 229 C ASP A 19 -2.033 -16.084 -4.319 1.00 0.00 C ATOM 230 O ASP A 19 -1.313 -15.093 -4.206 1.00 0.00 O ATOM 231 CB ASP A 19 -3.510 -16.104 -6.307 1.00 0.00 C ATOM 232 CG ASP A 19 -3.460 -17.550 -6.803 1.00 0.00 C ATOM 233 OD1 ASP A 19 -4.522 -18.207 -6.745 1.00 0.00 O ATOM 234 OD2 ASP A 19 -2.361 -17.966 -7.230 1.00 0.00 O ATOM 0 H ASP A 19 -3.275 -13.917 -4.289 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.119 -16.701 -4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.415 -15.635 -6.692 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.665 -15.561 -6.730 1.00 0.00 H new ATOM 239 N VAL A 20 -1.648 -17.325 -4.062 1.00 0.00 N ATOM 240 CA VAL A 20 -0.296 -17.611 -3.610 1.00 0.00 C ATOM 241 C VAL A 20 0.290 -18.744 -4.455 1.00 0.00 C ATOM 242 O VAL A 20 -0.293 -19.823 -4.544 1.00 0.00 O ATOM 243 CB VAL A 20 -0.300 -17.922 -2.112 1.00 0.00 C ATOM 244 CG1 VAL A 20 1.096 -18.328 -1.634 1.00 0.00 C ATOM 245 CG2 VAL A 20 -0.831 -16.735 -1.307 1.00 0.00 C ATOM 0 H VAL A 20 -2.248 -18.144 -4.158 1.00 0.00 H new ATOM 0 HA VAL A 20 0.345 -16.740 -3.745 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.970 -18.765 -1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.066 -18.544 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.422 -19.217 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.796 -17.513 -1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.823 -16.983 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.198 -15.865 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.851 -16.510 -1.620 1.00 0.00 H new ATOM 255 N THR A 21 1.437 -18.459 -5.054 1.00 0.00 N ATOM 256 CA THR A 21 2.109 -19.441 -5.889 1.00 0.00 C ATOM 257 C THR A 21 3.239 -20.118 -5.111 1.00 0.00 C ATOM 258 O THR A 21 3.247 -20.102 -3.881 1.00 0.00 O ATOM 259 CB THR A 21 2.585 -18.735 -7.160 1.00 0.00 C ATOM 260 OG1 THR A 21 1.688 -17.637 -7.304 1.00 0.00 O ATOM 261 CG2 THR A 21 2.352 -19.573 -8.418 1.00 0.00 C ATOM 0 H THR A 21 1.918 -17.563 -4.978 1.00 0.00 H new ATOM 0 HA THR A 21 1.431 -20.243 -6.180 1.00 0.00 H new ATOM 0 HB THR A 21 3.646 -18.503 -7.070 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.017 -16.875 -6.783 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.708 -19.026 -9.291 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.895 -20.514 -8.334 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.287 -19.777 -8.527 1.00 0.00 H new ATOM 269 N ASP A 22 4.166 -20.697 -5.860 1.00 0.00 N ATOM 270 CA ASP A 22 5.298 -21.379 -5.256 1.00 0.00 C ATOM 271 C ASP A 22 6.346 -20.346 -4.837 1.00 0.00 C ATOM 272 O ASP A 22 6.672 -20.231 -3.657 1.00 0.00 O ATOM 273 CB ASP A 22 5.953 -22.342 -6.247 1.00 0.00 C ATOM 274 CG ASP A 22 4.978 -23.167 -7.090 1.00 0.00 C ATOM 275 OD1 ASP A 22 4.464 -22.601 -8.079 1.00 0.00 O ATOM 276 OD2 ASP A 22 4.768 -24.344 -6.725 1.00 0.00 O ATOM 0 H ASP A 22 4.156 -20.708 -6.880 1.00 0.00 H new ATOM 0 HA ASP A 22 4.934 -21.940 -4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.594 -21.769 -6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.599 -23.024 -5.694 1.00 0.00 H new ATOM 281 N THR A 23 6.844 -19.620 -5.828 1.00 0.00 N ATOM 282 CA THR A 23 7.848 -18.601 -5.577 1.00 0.00 C ATOM 283 C THR A 23 7.303 -17.216 -5.935 1.00 0.00 C ATOM 284 O THR A 23 8.071 -16.278 -6.142 1.00 0.00 O ATOM 285 CB THR A 23 9.110 -18.978 -6.356 1.00 0.00 C ATOM 286 OG1 THR A 23 8.615 -19.498 -7.587 1.00 0.00 O ATOM 287 CG2 THR A 23 9.857 -20.155 -5.727 1.00 0.00 C ATOM 0 H THR A 23 6.570 -19.718 -6.806 1.00 0.00 H new ATOM 0 HA THR A 23 8.105 -18.551 -4.519 1.00 0.00 H new ATOM 0 HB THR A 23 9.774 -18.115 -6.411 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.367 -19.766 -8.155 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.744 -20.381 -6.319 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.155 -19.896 -4.711 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.205 -21.028 -5.702 1.00 0.00 H new ATOM 295 N THR A 24 5.983 -17.134 -5.998 1.00 0.00 N ATOM 296 CA THR A 24 5.326 -15.880 -6.328 1.00 0.00 C ATOM 297 C THR A 24 3.986 -15.772 -5.598 1.00 0.00 C ATOM 298 O THR A 24 3.360 -16.784 -5.289 1.00 0.00 O ATOM 299 CB THR A 24 5.198 -15.800 -7.850 1.00 0.00 C ATOM 300 OG1 THR A 24 4.948 -17.145 -8.249 1.00 0.00 O ATOM 301 CG2 THR A 24 6.521 -15.448 -8.532 1.00 0.00 C ATOM 0 H THR A 24 5.350 -17.915 -5.826 1.00 0.00 H new ATOM 0 HA THR A 24 5.913 -15.025 -5.992 1.00 0.00 H new ATOM 0 HB THR A 24 4.446 -15.055 -8.112 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.850 -17.184 -9.223 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.374 -15.404 -9.611 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.869 -14.479 -8.174 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.265 -16.210 -8.298 1.00 0.00 H new ATOM 309 N THR A 25 3.585 -14.534 -5.344 1.00 0.00 N ATOM 310 CA THR A 25 2.331 -14.281 -4.656 1.00 0.00 C ATOM 311 C THR A 25 1.624 -13.068 -5.265 1.00 0.00 C ATOM 312 O THR A 25 2.237 -12.291 -5.996 1.00 0.00 O ATOM 313 CB THR A 25 2.633 -14.122 -3.164 1.00 0.00 C ATOM 314 OG1 THR A 25 2.571 -15.451 -2.655 1.00 0.00 O ATOM 315 CG2 THR A 25 1.520 -13.384 -2.417 1.00 0.00 C ATOM 0 H THR A 25 4.107 -13.696 -5.602 1.00 0.00 H new ATOM 0 HA THR A 25 1.640 -15.115 -4.775 1.00 0.00 H new ATOM 0 HB THR A 25 3.573 -13.584 -3.039 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.688 -16.089 -3.390 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.784 -13.298 -1.363 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.395 -12.388 -2.842 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.587 -13.939 -2.513 1.00 0.00 H new ATOM 323 N THR A 26 0.346 -12.944 -4.942 1.00 0.00 N ATOM 324 CA THR A 26 -0.451 -11.839 -5.448 1.00 0.00 C ATOM 325 C THR A 26 -0.992 -10.997 -4.291 1.00 0.00 C ATOM 326 O THR A 26 -1.192 -11.506 -3.189 1.00 0.00 O ATOM 327 CB THR A 26 -1.548 -12.418 -6.343 1.00 0.00 C ATOM 328 OG1 THR A 26 -0.842 -12.937 -7.467 1.00 0.00 O ATOM 329 CG2 THR A 26 -2.451 -11.335 -6.938 1.00 0.00 C ATOM 0 H THR A 26 -0.158 -13.591 -4.336 1.00 0.00 H new ATOM 0 HA THR A 26 0.153 -11.159 -6.048 1.00 0.00 H new ATOM 0 HB THR A 26 -2.153 -13.119 -5.768 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.478 -13.333 -8.098 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.212 -11.800 -7.565 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.933 -10.780 -6.133 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.852 -10.652 -7.541 1.00 0.00 H new ATOM 337 N LEU A 27 -1.212 -9.723 -4.581 1.00 0.00 N ATOM 338 CA LEU A 27 -1.726 -8.806 -3.578 1.00 0.00 C ATOM 339 C LEU A 27 -2.736 -7.859 -4.228 1.00 0.00 C ATOM 340 O LEU A 27 -2.642 -7.569 -5.420 1.00 0.00 O ATOM 341 CB LEU A 27 -0.576 -8.086 -2.871 1.00 0.00 C ATOM 342 CG LEU A 27 0.367 -8.970 -2.052 1.00 0.00 C ATOM 343 CD1 LEU A 27 1.708 -8.271 -1.816 1.00 0.00 C ATOM 344 CD2 LEU A 27 -0.290 -9.406 -0.741 1.00 0.00 C ATOM 0 H LEU A 27 -1.044 -9.304 -5.496 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.257 -9.353 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.013 -7.559 -3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.999 -7.330 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 27 0.571 -9.874 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.359 -8.921 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.178 -8.053 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.543 -7.340 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.402 -10.033 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.544 -8.525 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.197 -9.971 -0.959 1.00 0.00 H new ATOM 356 N LYS A 28 -3.680 -7.404 -3.417 1.00 0.00 N ATOM 357 CA LYS A 28 -4.707 -6.497 -3.899 1.00 0.00 C ATOM 358 C LYS A 28 -5.094 -5.529 -2.779 1.00 0.00 C ATOM 359 O LYS A 28 -5.521 -5.954 -1.707 1.00 0.00 O ATOM 360 CB LYS A 28 -5.891 -7.281 -4.470 1.00 0.00 C ATOM 361 CG LYS A 28 -6.190 -6.854 -5.908 1.00 0.00 C ATOM 362 CD LYS A 28 -7.603 -7.270 -6.321 1.00 0.00 C ATOM 363 CE LYS A 28 -8.613 -6.163 -6.011 1.00 0.00 C ATOM 364 NZ LYS A 28 -9.484 -5.914 -7.182 1.00 0.00 N ATOM 0 H LYS A 28 -3.755 -7.647 -2.429 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.326 -5.895 -4.724 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.672 -8.348 -4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.772 -7.120 -3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.084 -5.773 -6.000 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.463 -7.304 -6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.622 -7.497 -7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.885 -8.182 -5.796 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.221 -6.447 -5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.087 -5.248 -5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.164 -5.160 -6.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.901 -5.622 -7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.000 -6.784 -7.422 1.00 0.00 H new ATOM 378 N TRP A 29 -4.930 -4.246 -3.066 1.00 0.00 N ATOM 379 CA TRP A 29 -5.256 -3.215 -2.095 1.00 0.00 C ATOM 380 C TRP A 29 -6.191 -2.210 -2.770 1.00 0.00 C ATOM 381 O TRP A 29 -6.642 -2.433 -3.893 1.00 0.00 O ATOM 382 CB TRP A 29 -3.988 -2.568 -1.535 1.00 0.00 C ATOM 383 CG TRP A 29 -3.207 -1.740 -2.558 1.00 0.00 C ATOM 384 CD1 TRP A 29 -3.533 -0.548 -3.076 1.00 0.00 C ATOM 385 CD2 TRP A 29 -1.949 -2.094 -3.170 1.00 0.00 C ATOM 386 NE1 TRP A 29 -2.581 -0.109 -3.973 1.00 0.00 N ATOM 387 CE2 TRP A 29 -1.587 -1.079 -4.032 1.00 0.00 C ATOM 388 CE3 TRP A 29 -1.143 -3.233 -3.000 1.00 0.00 C ATOM 389 CZ2 TRP A 29 -0.411 -1.102 -4.792 1.00 0.00 C ATOM 390 CZ3 TRP A 29 0.029 -3.241 -3.767 1.00 0.00 C ATOM 391 CH2 TRP A 29 0.407 -2.227 -4.639 1.00 0.00 C ATOM 0 H TRP A 29 -4.576 -3.897 -3.957 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.768 -3.644 -1.234 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.260 -1.928 -0.696 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.337 -3.349 -1.142 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.428 0.000 -2.823 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.603 0.766 -4.496 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.407 -4.039 -2.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.149 -0.295 -5.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.684 -4.094 -3.674 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.329 -2.307 -5.196 1.00 0.00 H new ATOM 402 N ARG A 30 -6.456 -1.125 -2.057 1.00 0.00 N ATOM 403 CA ARG A 30 -7.330 -0.085 -2.573 1.00 0.00 C ATOM 404 C ARG A 30 -6.705 1.294 -2.346 1.00 0.00 C ATOM 405 O ARG A 30 -5.932 1.482 -1.409 1.00 0.00 O ATOM 406 CB ARG A 30 -8.702 -0.133 -1.898 1.00 0.00 C ATOM 407 CG ARG A 30 -9.484 -1.374 -2.332 1.00 0.00 C ATOM 408 CD ARG A 30 -10.639 -0.997 -3.261 1.00 0.00 C ATOM 409 NE ARG A 30 -10.111 -0.507 -4.554 1.00 0.00 N ATOM 410 CZ ARG A 30 -10.867 -0.276 -5.636 1.00 0.00 C ATOM 411 NH1 ARG A 30 -12.189 -0.489 -5.587 1.00 0.00 N ATOM 412 NH2 ARG A 30 -10.301 0.168 -6.766 1.00 0.00 N ATOM 0 H ARG A 30 -6.081 -0.944 -1.126 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.458 -0.259 -3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.578 -0.137 -0.815 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.267 0.764 -2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.816 -2.070 -2.840 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.873 -1.889 -1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.281 -1.862 -3.426 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.255 -0.227 -2.795 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.108 -0.334 -4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.620 -0.827 -4.726 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.765 -0.313 -6.410 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.295 0.330 -6.803 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.876 0.344 -7.590 1.00 0.00 H new ATOM 426 N PRO A 31 -7.074 2.246 -3.244 1.00 0.00 N ATOM 427 CA PRO A 31 -6.559 3.602 -3.151 1.00 0.00 C ATOM 428 C PRO A 31 -7.232 4.367 -2.010 1.00 0.00 C ATOM 429 O PRO A 31 -8.339 4.026 -1.597 1.00 0.00 O ATOM 430 CB PRO A 31 -6.823 4.217 -4.516 1.00 0.00 C ATOM 431 CG PRO A 31 -7.886 3.347 -5.167 1.00 0.00 C ATOM 432 CD PRO A 31 -7.988 2.059 -4.367 1.00 0.00 C ATOM 0 HA PRO A 31 -5.496 3.633 -2.914 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.166 5.247 -4.420 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.914 4.238 -5.117 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.846 3.864 -5.182 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.623 3.133 -6.203 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.008 1.886 -4.023 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.704 1.196 -4.969 1.00 0.00 H new ATOM 440 N PRO A 32 -6.517 5.415 -1.521 1.00 0.00 N ATOM 441 CA PRO A 32 -7.033 6.232 -0.436 1.00 0.00 C ATOM 442 C PRO A 32 -8.135 7.171 -0.932 1.00 0.00 C ATOM 443 O PRO A 32 -8.424 7.217 -2.127 1.00 0.00 O ATOM 444 CB PRO A 32 -5.823 6.972 0.110 1.00 0.00 C ATOM 445 CG PRO A 32 -4.765 6.900 -0.979 1.00 0.00 C ATOM 446 CD PRO A 32 -5.203 5.849 -1.986 1.00 0.00 C ATOM 0 HA PRO A 32 -7.507 5.640 0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.071 8.007 0.346 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.467 6.512 1.032 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.650 7.869 -1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.796 6.640 -0.553 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.256 6.263 -2.993 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.500 5.016 -2.020 1.00 0.00 H new ATOM 454 N ASP A 33 -8.719 7.896 0.010 1.00 0.00 N ATOM 455 CA ASP A 33 -9.782 8.831 -0.316 1.00 0.00 C ATOM 456 C ASP A 33 -9.228 10.256 -0.291 1.00 0.00 C ATOM 457 O ASP A 33 -9.729 11.134 -0.993 1.00 0.00 O ATOM 458 CB ASP A 33 -10.921 8.748 0.702 1.00 0.00 C ATOM 459 CG ASP A 33 -12.295 8.424 0.112 1.00 0.00 C ATOM 460 OD1 ASP A 33 -12.389 8.413 -1.135 1.00 0.00 O ATOM 461 OD2 ASP A 33 -13.220 8.194 0.920 1.00 0.00 O ATOM 0 H ASP A 33 -8.476 7.855 1.000 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.163 8.576 -1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.672 7.987 1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.985 9.699 1.231 1.00 0.00 H new ATOM 466 N ARG A 34 -8.201 10.443 0.525 1.00 0.00 N ATOM 467 CA ARG A 34 -7.573 11.747 0.652 1.00 0.00 C ATOM 468 C ARG A 34 -6.202 11.745 -0.028 1.00 0.00 C ATOM 469 O ARG A 34 -5.173 11.676 0.642 1.00 0.00 O ATOM 470 CB ARG A 34 -7.405 12.138 2.121 1.00 0.00 C ATOM 471 CG ARG A 34 -8.500 13.111 2.559 1.00 0.00 C ATOM 472 CD ARG A 34 -7.925 14.229 3.432 1.00 0.00 C ATOM 473 NE ARG A 34 -8.263 15.548 2.853 1.00 0.00 N ATOM 474 CZ ARG A 34 -7.650 16.080 1.787 1.00 0.00 C ATOM 475 NH1 ARG A 34 -6.663 15.409 1.177 1.00 0.00 N ATOM 476 NH2 ARG A 34 -8.023 17.284 1.331 1.00 0.00 N ATOM 0 H ARG A 34 -7.788 9.713 1.105 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.222 12.475 0.166 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.437 11.245 2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.427 12.595 2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.981 13.542 1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.270 12.573 3.112 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.324 14.154 4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.843 14.122 3.508 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.010 16.086 3.293 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.378 14.493 1.524 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.197 15.814 0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.774 17.795 1.796 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.556 17.689 0.519 1.00 0.00 H new ATOM 490 N ILE A 35 -6.233 11.820 -1.351 1.00 0.00 N ATOM 491 CA ILE A 35 -5.006 11.827 -2.129 1.00 0.00 C ATOM 492 C ILE A 35 -4.254 13.134 -1.875 1.00 0.00 C ATOM 493 O ILE A 35 -3.307 13.167 -1.091 1.00 0.00 O ATOM 494 CB ILE A 35 -5.307 11.567 -3.607 1.00 0.00 C ATOM 495 CG1 ILE A 35 -6.186 10.327 -3.778 1.00 0.00 C ATOM 496 CG2 ILE A 35 -4.015 11.471 -4.421 1.00 0.00 C ATOM 497 CD1 ILE A 35 -5.423 9.057 -3.396 1.00 0.00 C ATOM 0 H ILE A 35 -7.089 11.876 -1.903 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.350 11.015 -1.814 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.870 12.416 -3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.077 10.420 -3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.523 10.256 -4.812 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.257 11.286 -5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.461 12.406 -4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.405 10.652 -4.040 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.071 8.190 -3.527 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.546 8.954 -4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.108 9.121 -2.354 1.00 0.00 H new ATOM 509 N GLY A 36 -4.703 14.180 -2.553 1.00 0.00 N ATOM 510 CA GLY A 36 -4.084 15.487 -2.411 1.00 0.00 C ATOM 511 C GLY A 36 -2.568 15.398 -2.597 1.00 0.00 C ATOM 512 O GLY A 36 -2.072 14.483 -3.251 1.00 0.00 O ATOM 0 H GLY A 36 -5.489 14.149 -3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.504 16.174 -3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.310 15.895 -1.426 1.00 0.00 H new ATOM 516 N ALA A 37 -1.875 16.363 -2.010 1.00 0.00 N ATOM 517 CA ALA A 37 -0.426 16.406 -2.103 1.00 0.00 C ATOM 518 C ALA A 37 -0.010 16.294 -3.571 1.00 0.00 C ATOM 519 O ALA A 37 1.063 15.777 -3.878 1.00 0.00 O ATOM 520 CB ALA A 37 0.174 15.293 -1.241 1.00 0.00 C ATOM 0 H ALA A 37 -2.290 17.121 -1.468 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.045 17.354 -1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.261 15.325 -1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.127 15.434 -0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.184 14.326 -1.595 1.00 0.00 H new ATOM 526 N GLY A 38 -0.880 16.788 -4.439 1.00 0.00 N ATOM 527 CA GLY A 38 -0.617 16.751 -5.867 1.00 0.00 C ATOM 528 C GLY A 38 -1.115 15.442 -6.482 1.00 0.00 C ATOM 529 O GLY A 38 -1.661 15.438 -7.585 1.00 0.00 O ATOM 0 H GLY A 38 -1.769 17.217 -4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.107 17.595 -6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.453 16.857 -6.046 1.00 0.00 H new ATOM 533 N GLY A 39 -0.911 14.362 -5.743 1.00 0.00 N ATOM 534 CA GLY A 39 -1.333 13.049 -6.202 1.00 0.00 C ATOM 535 C GLY A 39 -0.522 11.944 -5.522 1.00 0.00 C ATOM 536 O GLY A 39 0.015 12.143 -4.434 1.00 0.00 O ATOM 0 H GLY A 39 -0.459 14.369 -4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.393 12.909 -5.991 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.212 12.981 -7.283 1.00 0.00 H new ATOM 540 N ILE A 40 -0.458 10.803 -6.193 1.00 0.00 N ATOM 541 CA ILE A 40 0.278 9.666 -5.668 1.00 0.00 C ATOM 542 C ILE A 40 1.119 9.048 -6.787 1.00 0.00 C ATOM 543 O ILE A 40 0.678 8.977 -7.933 1.00 0.00 O ATOM 544 CB ILE A 40 -0.674 8.675 -4.995 1.00 0.00 C ATOM 545 CG1 ILE A 40 0.086 7.460 -4.461 1.00 0.00 C ATOM 546 CG2 ILE A 40 -1.806 8.272 -5.943 1.00 0.00 C ATOM 547 CD1 ILE A 40 -0.579 6.908 -3.199 1.00 0.00 C ATOM 0 H ILE A 40 -0.904 10.642 -7.096 1.00 0.00 H new ATOM 0 HA ILE A 40 0.969 9.987 -4.889 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.132 9.170 -4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.122 6.684 -5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.116 7.739 -4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.468 7.567 -5.440 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.371 9.158 -6.232 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.386 7.803 -6.833 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.019 6.045 -2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.592 7.678 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.601 6.607 -3.428 1.00 0.00 H new ATOM 559 N ASP A 41 2.315 8.615 -6.414 1.00 0.00 N ATOM 560 CA ASP A 41 3.222 8.005 -7.372 1.00 0.00 C ATOM 561 C ASP A 41 2.843 6.535 -7.561 1.00 0.00 C ATOM 562 O ASP A 41 2.898 6.015 -8.674 1.00 0.00 O ATOM 563 CB ASP A 41 4.667 8.061 -6.875 1.00 0.00 C ATOM 564 CG ASP A 41 5.578 9.023 -7.640 1.00 0.00 C ATOM 565 OD1 ASP A 41 5.572 10.219 -7.278 1.00 0.00 O ATOM 566 OD2 ASP A 41 6.260 8.541 -8.570 1.00 0.00 O ATOM 0 H ASP A 41 2.677 8.675 -5.462 1.00 0.00 H new ATOM 0 HA ASP A 41 3.142 8.555 -8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.663 8.348 -5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.093 7.059 -6.931 1.00 0.00 H new ATOM 571 N GLY A 42 2.467 5.907 -6.457 1.00 0.00 N ATOM 572 CA GLY A 42 2.079 4.507 -6.487 1.00 0.00 C ATOM 573 C GLY A 42 2.143 3.890 -5.088 1.00 0.00 C ATOM 574 O GLY A 42 1.646 4.473 -4.126 1.00 0.00 O ATOM 0 H GLY A 42 2.423 6.342 -5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.068 4.415 -6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.737 3.958 -7.161 1.00 0.00 H new ATOM 578 N TYR A 43 2.758 2.719 -5.021 1.00 0.00 N ATOM 579 CA TYR A 43 2.892 2.016 -3.756 1.00 0.00 C ATOM 580 C TYR A 43 4.173 1.180 -3.726 1.00 0.00 C ATOM 581 O TYR A 43 4.552 0.583 -4.733 1.00 0.00 O ATOM 582 CB TYR A 43 1.685 1.081 -3.662 1.00 0.00 C ATOM 583 CG TYR A 43 0.430 1.741 -3.086 1.00 0.00 C ATOM 584 CD1 TYR A 43 0.357 2.026 -1.738 1.00 0.00 C ATOM 585 CD2 TYR A 43 -0.628 2.052 -3.915 1.00 0.00 C ATOM 586 CE1 TYR A 43 -0.824 2.647 -1.196 1.00 0.00 C ATOM 587 CE2 TYR A 43 -1.809 2.673 -3.374 1.00 0.00 C ATOM 588 CZ TYR A 43 -1.849 2.940 -2.041 1.00 0.00 C ATOM 589 OH TYR A 43 -2.964 3.527 -1.529 1.00 0.00 O ATOM 0 H TYR A 43 3.169 2.239 -5.822 1.00 0.00 H new ATOM 0 HA TYR A 43 2.938 2.723 -2.928 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.457 0.697 -4.656 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.949 0.224 -3.042 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.186 1.783 -1.089 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.570 1.830 -4.970 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.894 2.875 -0.143 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.644 2.921 -4.012 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.719 4.369 -1.092 1.00 0.00 H new ATOM 599 N LEU A 44 4.805 1.164 -2.562 1.00 0.00 N ATOM 600 CA LEU A 44 6.035 0.411 -2.388 1.00 0.00 C ATOM 601 C LEU A 44 5.745 -0.852 -1.575 1.00 0.00 C ATOM 602 O LEU A 44 5.338 -0.769 -0.417 1.00 0.00 O ATOM 603 CB LEU A 44 7.125 1.297 -1.780 1.00 0.00 C ATOM 604 CG LEU A 44 8.104 1.930 -2.770 1.00 0.00 C ATOM 605 CD1 LEU A 44 9.201 2.705 -2.037 1.00 0.00 C ATOM 606 CD2 LEU A 44 8.683 0.877 -3.718 1.00 0.00 C ATOM 0 H LEU A 44 4.488 1.661 -1.730 1.00 0.00 H new ATOM 0 HA LEU A 44 6.422 0.087 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.644 2.095 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.695 0.701 -1.067 1.00 0.00 H new ATOM 0 HG LEU A 44 7.556 2.647 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.884 3.145 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.750 3.496 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.752 2.027 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.376 1.353 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.212 0.119 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.874 0.408 -4.278 1.00 0.00 H new ATOM 618 N VAL A 45 5.965 -1.992 -2.213 1.00 0.00 N ATOM 619 CA VAL A 45 5.732 -3.271 -1.564 1.00 0.00 C ATOM 620 C VAL A 45 7.059 -3.818 -1.033 1.00 0.00 C ATOM 621 O VAL A 45 8.076 -3.765 -1.722 1.00 0.00 O ATOM 622 CB VAL A 45 5.034 -4.230 -2.531 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.556 -5.489 -1.805 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.874 -3.536 -3.248 1.00 0.00 C ATOM 0 H VAL A 45 6.302 -2.057 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 45 5.065 -3.150 -0.710 1.00 0.00 H new ATOM 0 HB VAL A 45 5.760 -4.534 -3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.064 -6.154 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.411 -6.000 -1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.853 -5.211 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.395 -4.239 -3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.147 -3.190 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.253 -2.684 -3.813 1.00 0.00 H new ATOM 634 N GLU A 46 7.005 -4.331 0.188 1.00 0.00 N ATOM 635 CA GLU A 46 8.190 -4.887 0.818 1.00 0.00 C ATOM 636 C GLU A 46 7.800 -6.006 1.786 1.00 0.00 C ATOM 637 O GLU A 46 6.837 -5.873 2.540 1.00 0.00 O ATOM 638 CB GLU A 46 8.992 -3.798 1.535 1.00 0.00 C ATOM 639 CG GLU A 46 9.054 -2.521 0.695 1.00 0.00 C ATOM 640 CD GLU A 46 9.816 -1.417 1.431 1.00 0.00 C ATOM 641 OE1 GLU A 46 11.062 -1.519 1.473 1.00 0.00 O ATOM 642 OE2 GLU A 46 9.137 -0.497 1.934 1.00 0.00 O ATOM 0 H GLU A 46 6.159 -4.373 0.757 1.00 0.00 H new ATOM 0 HA GLU A 46 8.827 -5.310 0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.535 -3.581 2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.002 -4.156 1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.541 -2.731 -0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.043 -2.181 0.468 1.00 0.00 H new ATOM 649 N TYR A 47 8.568 -7.085 1.732 1.00 0.00 N ATOM 650 CA TYR A 47 8.315 -8.227 2.594 1.00 0.00 C ATOM 651 C TYR A 47 9.467 -8.438 3.577 1.00 0.00 C ATOM 652 O TYR A 47 10.625 -8.185 3.246 1.00 0.00 O ATOM 653 CB TYR A 47 8.221 -9.442 1.668 1.00 0.00 C ATOM 654 CG TYR A 47 9.494 -9.708 0.862 1.00 0.00 C ATOM 655 CD1 TYR A 47 9.745 -8.990 -0.290 1.00 0.00 C ATOM 656 CD2 TYR A 47 10.391 -10.668 1.286 1.00 0.00 C ATOM 657 CE1 TYR A 47 10.942 -9.241 -1.049 1.00 0.00 C ATOM 658 CE2 TYR A 47 11.589 -10.919 0.527 1.00 0.00 C ATOM 659 CZ TYR A 47 11.805 -10.193 -0.603 1.00 0.00 C ATOM 660 OH TYR A 47 12.937 -10.430 -1.320 1.00 0.00 O ATOM 0 H TYR A 47 9.365 -7.192 1.105 1.00 0.00 H new ATOM 0 HA TYR A 47 7.407 -8.074 3.177 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.990 -10.324 2.265 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.390 -9.297 0.978 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.043 -8.240 -0.622 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.194 -11.231 2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.150 -8.686 -1.952 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.300 -11.666 0.848 1.00 0.00 H new ATOM 0 HH TYR A 47 13.460 -11.134 -0.883 1.00 0.00 H new ATOM 670 N CYS A 48 9.111 -8.899 4.767 1.00 0.00 N ATOM 671 CA CYS A 48 10.101 -9.146 5.801 1.00 0.00 C ATOM 672 C CYS A 48 9.989 -10.610 6.234 1.00 0.00 C ATOM 673 O CYS A 48 9.001 -11.004 6.850 1.00 0.00 O ATOM 674 CB CYS A 48 9.938 -8.188 6.983 1.00 0.00 C ATOM 675 SG CYS A 48 10.954 -8.756 8.395 1.00 0.00 S ATOM 0 H CYS A 48 8.150 -9.108 5.038 1.00 0.00 H new ATOM 0 HA CYS A 48 11.099 -8.960 5.403 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.238 -7.182 6.690 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.890 -8.135 7.277 1.00 0.00 H new ATOM 0 HG CYS A 48 11.018 -7.815 9.290 1.00 0.00 H new ATOM 681 N LEU A 49 11.016 -11.375 5.893 1.00 0.00 N ATOM 682 CA LEU A 49 11.045 -12.786 6.238 1.00 0.00 C ATOM 683 C LEU A 49 10.876 -12.940 7.751 1.00 0.00 C ATOM 684 O LEU A 49 11.471 -12.192 8.525 1.00 0.00 O ATOM 685 CB LEU A 49 12.312 -13.445 5.691 1.00 0.00 C ATOM 686 CG LEU A 49 12.359 -13.654 4.176 1.00 0.00 C ATOM 687 CD1 LEU A 49 13.713 -13.229 3.605 1.00 0.00 C ATOM 688 CD2 LEU A 49 12.011 -15.099 3.811 1.00 0.00 C ATOM 0 H LEU A 49 11.834 -11.044 5.381 1.00 0.00 H new ATOM 0 HA LEU A 49 10.213 -13.310 5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.168 -12.836 5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.432 -14.414 6.175 1.00 0.00 H new ATOM 0 HG LEU A 49 11.603 -13.015 3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.719 -13.388 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.882 -12.173 3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.504 -13.822 4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.052 -15.221 2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.726 -15.775 4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.007 -15.332 4.165 1.00 0.00 H new ATOM 700 N GLU A 50 10.060 -13.914 8.127 1.00 0.00 N ATOM 701 CA GLU A 50 9.805 -14.176 9.533 1.00 0.00 C ATOM 702 C GLU A 50 11.124 -14.361 10.286 1.00 0.00 C ATOM 703 O GLU A 50 11.892 -15.274 9.985 1.00 0.00 O ATOM 704 CB GLU A 50 8.897 -15.395 9.708 1.00 0.00 C ATOM 705 CG GLU A 50 8.823 -15.816 11.177 1.00 0.00 C ATOM 706 CD GLU A 50 9.325 -17.250 11.362 1.00 0.00 C ATOM 707 OE1 GLU A 50 9.230 -18.016 10.380 1.00 0.00 O ATOM 708 OE2 GLU A 50 9.793 -17.546 12.483 1.00 0.00 O ATOM 0 H GLU A 50 9.567 -14.531 7.482 1.00 0.00 H new ATOM 0 HA GLU A 50 9.286 -13.315 9.955 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.897 -15.164 9.341 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.273 -16.223 9.107 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.421 -15.136 11.784 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.795 -15.738 11.530 1.00 0.00 H new ATOM 715 N GLY A 51 11.346 -13.481 11.251 1.00 0.00 N ATOM 716 CA GLY A 51 12.559 -13.536 12.050 1.00 0.00 C ATOM 717 C GLY A 51 13.496 -12.377 11.705 1.00 0.00 C ATOM 718 O GLY A 51 14.320 -11.975 12.525 1.00 0.00 O ATOM 0 H GLY A 51 10.707 -12.726 11.498 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.303 -13.499 13.109 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.069 -14.484 11.879 1.00 0.00 H new ATOM 722 N SER A 52 13.339 -11.873 10.490 1.00 0.00 N ATOM 723 CA SER A 52 14.161 -10.768 10.026 1.00 0.00 C ATOM 724 C SER A 52 13.582 -9.441 10.521 1.00 0.00 C ATOM 725 O SER A 52 12.384 -9.342 10.784 1.00 0.00 O ATOM 726 CB SER A 52 14.268 -10.764 8.500 1.00 0.00 C ATOM 727 OG SER A 52 14.843 -9.556 8.008 1.00 0.00 O ATOM 0 H SER A 52 12.655 -12.209 9.812 1.00 0.00 H new ATOM 0 HA SER A 52 15.164 -10.894 10.433 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.873 -11.611 8.177 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.277 -10.896 8.067 1.00 0.00 H new ATOM 0 HG SER A 52 14.895 -9.593 7.030 1.00 0.00 H new ATOM 733 N GLU A 53 14.459 -8.455 10.633 1.00 0.00 N ATOM 734 CA GLU A 53 14.049 -7.138 11.092 1.00 0.00 C ATOM 735 C GLU A 53 14.209 -6.111 9.969 1.00 0.00 C ATOM 736 O GLU A 53 14.146 -4.907 10.211 1.00 0.00 O ATOM 737 CB GLU A 53 14.839 -6.720 12.334 1.00 0.00 C ATOM 738 CG GLU A 53 14.002 -5.812 13.236 1.00 0.00 C ATOM 739 CD GLU A 53 14.860 -5.199 14.345 1.00 0.00 C ATOM 740 OE1 GLU A 53 15.565 -5.983 15.016 1.00 0.00 O ATOM 741 OE2 GLU A 53 14.790 -3.960 14.497 1.00 0.00 O ATOM 0 H GLU A 53 15.452 -8.541 10.414 1.00 0.00 H new ATOM 0 HA GLU A 53 12.996 -7.183 11.370 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.147 -7.606 12.889 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.749 -6.201 12.033 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.550 -5.019 12.641 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.186 -6.384 13.677 1.00 0.00 H new ATOM 748 N GLU A 54 14.414 -6.625 8.765 1.00 0.00 N ATOM 749 CA GLU A 54 14.584 -5.768 7.605 1.00 0.00 C ATOM 750 C GLU A 54 13.571 -6.137 6.519 1.00 0.00 C ATOM 751 O GLU A 54 13.483 -7.296 6.116 1.00 0.00 O ATOM 752 CB GLU A 54 16.015 -5.847 7.069 1.00 0.00 C ATOM 753 CG GLU A 54 16.170 -5.016 5.793 1.00 0.00 C ATOM 754 CD GLU A 54 17.330 -4.027 5.921 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.469 -4.509 6.103 1.00 0.00 O ATOM 756 OE2 GLU A 54 17.052 -2.812 5.833 1.00 0.00 O ATOM 0 H GLU A 54 14.466 -7.624 8.568 1.00 0.00 H new ATOM 0 HA GLU A 54 14.402 -4.738 7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.711 -5.489 7.827 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.273 -6.886 6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.343 -5.676 4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.246 -4.474 5.593 1.00 0.00 H new ATOM 763 N TRP A 55 12.832 -5.130 6.077 1.00 0.00 N ATOM 764 CA TRP A 55 11.828 -5.335 5.046 1.00 0.00 C ATOM 765 C TRP A 55 12.512 -5.189 3.685 1.00 0.00 C ATOM 766 O TRP A 55 13.066 -4.136 3.375 1.00 0.00 O ATOM 767 CB TRP A 55 10.651 -4.375 5.229 1.00 0.00 C ATOM 768 CG TRP A 55 9.733 -4.733 6.400 1.00 0.00 C ATOM 769 CD1 TRP A 55 9.864 -4.383 7.687 1.00 0.00 C ATOM 770 CD2 TRP A 55 8.530 -5.528 6.338 1.00 0.00 C ATOM 771 NE1 TRP A 55 8.838 -4.893 8.456 1.00 0.00 N ATOM 772 CE2 TRP A 55 8.001 -5.612 7.610 1.00 0.00 C ATOM 773 CE3 TRP A 55 7.910 -6.156 5.244 1.00 0.00 C ATOM 774 CZ2 TRP A 55 6.827 -6.315 7.907 1.00 0.00 C ATOM 775 CZ3 TRP A 55 6.738 -6.855 5.558 1.00 0.00 C ATOM 776 CH2 TRP A 55 6.193 -6.949 6.833 1.00 0.00 C ATOM 0 H TRP A 55 12.908 -4.170 6.414 1.00 0.00 H new ATOM 0 HA TRP A 55 11.401 -6.336 5.116 1.00 0.00 H new ATOM 0 HB2 TRP A 55 11.037 -3.367 5.378 1.00 0.00 H new ATOM 0 HB3 TRP A 55 10.063 -4.358 4.311 1.00 0.00 H new ATOM 0 HD1 TRP A 55 10.671 -3.778 8.074 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.716 -4.766 9.461 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.306 -6.104 4.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 6.432 -6.365 8.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.221 -7.356 4.753 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.284 -7.509 6.994 1.00 0.00 H new ATOM 787 N VAL A 56 12.450 -6.262 2.910 1.00 0.00 N ATOM 788 CA VAL A 56 13.057 -6.267 1.590 1.00 0.00 C ATOM 789 C VAL A 56 12.077 -5.665 0.581 1.00 0.00 C ATOM 790 O VAL A 56 10.871 -5.895 0.668 1.00 0.00 O ATOM 791 CB VAL A 56 13.498 -7.685 1.222 1.00 0.00 C ATOM 792 CG1 VAL A 56 14.091 -7.726 -0.188 1.00 0.00 C ATOM 793 CG2 VAL A 56 14.489 -8.235 2.250 1.00 0.00 C ATOM 0 H VAL A 56 11.989 -7.134 3.171 1.00 0.00 H new ATOM 0 HA VAL A 56 13.955 -5.649 1.580 1.00 0.00 H new ATOM 0 HB VAL A 56 12.615 -8.324 1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.396 -8.745 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.342 -7.395 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 56 14.958 -7.067 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.787 -9.244 1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.370 -7.594 2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.018 -8.260 3.233 1.00 0.00 H new ATOM 803 N PRO A 57 12.645 -4.887 -0.379 1.00 0.00 N ATOM 804 CA PRO A 57 11.834 -4.250 -1.403 1.00 0.00 C ATOM 805 C PRO A 57 11.377 -5.268 -2.451 1.00 0.00 C ATOM 806 O PRO A 57 12.201 -5.879 -3.129 1.00 0.00 O ATOM 807 CB PRO A 57 12.719 -3.158 -1.982 1.00 0.00 C ATOM 808 CG PRO A 57 14.141 -3.522 -1.589 1.00 0.00 C ATOM 809 CD PRO A 57 14.069 -4.593 -0.513 1.00 0.00 C ATOM 0 HA PRO A 57 10.910 -3.828 -1.007 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.615 -3.105 -3.066 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.443 -2.181 -1.587 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.694 -3.887 -2.454 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.671 -2.644 -1.219 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.632 -5.481 -0.800 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.491 -4.239 0.428 1.00 0.00 H new ATOM 817 N ALA A 58 10.064 -5.417 -2.550 1.00 0.00 N ATOM 818 CA ALA A 58 9.487 -6.350 -3.503 1.00 0.00 C ATOM 819 C ALA A 58 9.539 -5.737 -4.904 1.00 0.00 C ATOM 820 O ALA A 58 9.865 -6.421 -5.873 1.00 0.00 O ATOM 821 CB ALA A 58 8.062 -6.703 -3.074 1.00 0.00 C ATOM 0 H ALA A 58 9.384 -4.907 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 58 10.059 -7.278 -3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.630 -7.403 -3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.083 -7.161 -2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.457 -5.797 -3.042 1.00 0.00 H new ATOM 827 N ASN A 59 9.213 -4.454 -4.967 1.00 0.00 N ATOM 828 CA ASN A 59 9.218 -3.742 -6.233 1.00 0.00 C ATOM 829 C ASN A 59 10.190 -2.563 -6.146 1.00 0.00 C ATOM 830 O ASN A 59 9.965 -1.624 -5.384 1.00 0.00 O ATOM 831 CB ASN A 59 7.830 -3.188 -6.559 1.00 0.00 C ATOM 832 CG ASN A 59 7.275 -2.375 -5.388 1.00 0.00 C ATOM 833 OD1 ASN A 59 7.744 -2.457 -4.264 1.00 0.00 O ATOM 834 ND2 ASN A 59 6.253 -1.588 -5.712 1.00 0.00 N ATOM 0 H ASN A 59 8.944 -3.889 -4.161 1.00 0.00 H new ATOM 0 HA ASN A 59 9.519 -4.442 -7.013 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.885 -2.560 -7.448 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.152 -4.009 -6.790 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.813 -1.005 -5.000 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.910 -1.567 -6.672 1.00 0.00 H new ATOM 841 N LYS A 60 11.249 -2.650 -6.938 1.00 0.00 N ATOM 842 CA LYS A 60 12.255 -1.602 -6.960 1.00 0.00 C ATOM 843 C LYS A 60 11.573 -0.251 -7.183 1.00 0.00 C ATOM 844 O LYS A 60 12.040 0.774 -6.688 1.00 0.00 O ATOM 845 CB LYS A 60 13.339 -1.922 -7.991 1.00 0.00 C ATOM 846 CG LYS A 60 14.735 -1.722 -7.399 1.00 0.00 C ATOM 847 CD LYS A 60 15.714 -2.768 -7.936 1.00 0.00 C ATOM 848 CE LYS A 60 17.153 -2.424 -7.547 1.00 0.00 C ATOM 849 NZ LYS A 60 17.718 -1.426 -8.482 1.00 0.00 N ATOM 0 H LYS A 60 11.432 -3.430 -7.569 1.00 0.00 H new ATOM 0 HA LYS A 60 12.768 -1.546 -6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.229 -2.951 -8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.215 -1.282 -8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.097 -0.723 -7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.686 -1.789 -6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.453 -3.751 -7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.631 -2.826 -9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.177 -2.033 -6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.764 -3.327 -7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 18.695 -1.204 -8.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 17.712 -1.813 -9.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 17.144 -0.559 -8.453 1.00 0.00 H new ATOM 863 N GLU A 61 10.478 -0.292 -7.928 1.00 0.00 N ATOM 864 CA GLU A 61 9.727 0.916 -8.223 1.00 0.00 C ATOM 865 C GLU A 61 8.262 0.742 -7.820 1.00 0.00 C ATOM 866 O GLU A 61 7.769 -0.381 -7.727 1.00 0.00 O ATOM 867 CB GLU A 61 9.849 1.290 -9.702 1.00 0.00 C ATOM 868 CG GLU A 61 11.305 1.220 -10.167 1.00 0.00 C ATOM 869 CD GLU A 61 11.389 0.841 -11.647 1.00 0.00 C ATOM 870 OE1 GLU A 61 10.825 -0.219 -11.995 1.00 0.00 O ATOM 871 OE2 GLU A 61 12.017 1.619 -12.397 1.00 0.00 O ATOM 0 H GLU A 61 10.093 -1.144 -8.336 1.00 0.00 H new ATOM 0 HA GLU A 61 10.149 1.734 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.239 0.616 -10.303 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.461 2.296 -9.859 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.789 2.183 -10.006 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.847 0.488 -9.569 1.00 0.00 H new ATOM 878 N PRO A 62 7.588 1.900 -7.586 1.00 0.00 N ATOM 879 CA PRO A 62 6.189 1.886 -7.195 1.00 0.00 C ATOM 880 C PRO A 62 5.289 1.564 -8.390 1.00 0.00 C ATOM 881 O PRO A 62 5.494 2.088 -9.485 1.00 0.00 O ATOM 882 CB PRO A 62 5.930 3.265 -6.611 1.00 0.00 C ATOM 883 CG PRO A 62 7.057 4.151 -7.118 1.00 0.00 C ATOM 884 CD PRO A 62 8.139 3.248 -7.686 1.00 0.00 C ATOM 0 HA PRO A 62 5.964 1.110 -6.464 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.960 3.647 -6.928 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.919 3.232 -5.522 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.690 4.835 -7.883 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.456 4.762 -6.308 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.368 3.506 -8.720 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.067 3.339 -7.122 1.00 0.00 H new ATOM 892 N VAL A 63 4.312 0.705 -8.140 1.00 0.00 N ATOM 893 CA VAL A 63 3.380 0.308 -9.182 1.00 0.00 C ATOM 894 C VAL A 63 2.290 1.372 -9.319 1.00 0.00 C ATOM 895 O VAL A 63 2.227 2.307 -8.522 1.00 0.00 O ATOM 896 CB VAL A 63 2.822 -1.085 -8.881 1.00 0.00 C ATOM 897 CG1 VAL A 63 3.947 -2.066 -8.544 1.00 0.00 C ATOM 898 CG2 VAL A 63 1.788 -1.029 -7.754 1.00 0.00 C ATOM 0 H VAL A 63 4.145 0.273 -7.231 1.00 0.00 H new ATOM 0 HA VAL A 63 3.889 0.239 -10.144 1.00 0.00 H new ATOM 0 HB VAL A 63 2.321 -1.446 -9.779 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.523 -3.048 -8.334 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.631 -2.139 -9.389 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.489 -1.711 -7.668 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.407 -2.032 -7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.255 -0.637 -6.851 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.964 -0.379 -8.048 1.00 0.00 H new ATOM 908 N GLU A 64 1.459 1.195 -10.335 1.00 0.00 N ATOM 909 CA GLU A 64 0.374 2.129 -10.586 1.00 0.00 C ATOM 910 C GLU A 64 -0.968 1.496 -10.216 1.00 0.00 C ATOM 911 O GLU A 64 -1.878 2.185 -9.758 1.00 0.00 O ATOM 912 CB GLU A 64 0.378 2.594 -12.044 1.00 0.00 C ATOM 913 CG GLU A 64 0.242 1.406 -12.999 1.00 0.00 C ATOM 914 CD GLU A 64 -0.167 1.871 -14.398 1.00 0.00 C ATOM 915 OE1 GLU A 64 0.620 2.639 -14.993 1.00 0.00 O ATOM 916 OE2 GLU A 64 -1.257 1.448 -14.840 1.00 0.00 O ATOM 0 H GLU A 64 1.515 0.419 -10.994 1.00 0.00 H new ATOM 0 HA GLU A 64 0.524 3.007 -9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.442 3.293 -12.209 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.303 3.131 -12.256 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.188 0.868 -13.053 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.500 0.707 -12.613 1.00 0.00 H new ATOM 923 N ARG A 65 -1.049 0.191 -10.429 1.00 0.00 N ATOM 924 CA ARG A 65 -2.265 -0.543 -10.123 1.00 0.00 C ATOM 925 C ARG A 65 -2.466 -0.631 -8.609 1.00 0.00 C ATOM 926 O ARG A 65 -1.670 -0.093 -7.842 1.00 0.00 O ATOM 927 CB ARG A 65 -2.217 -1.957 -10.707 1.00 0.00 C ATOM 928 CG ARG A 65 -1.316 -2.866 -9.868 1.00 0.00 C ATOM 929 CD ARG A 65 -0.854 -4.078 -10.679 1.00 0.00 C ATOM 930 NE ARG A 65 0.274 -3.699 -11.558 1.00 0.00 N ATOM 931 CZ ARG A 65 0.891 -4.544 -12.395 1.00 0.00 C ATOM 932 NH1 ARG A 65 0.492 -5.821 -12.473 1.00 0.00 N ATOM 933 NH2 ARG A 65 1.907 -4.112 -13.155 1.00 0.00 N ATOM 0 H ARG A 65 -0.292 -0.377 -10.810 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.099 -0.004 -10.573 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.224 -2.373 -10.746 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.848 -1.919 -11.732 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.449 -2.304 -9.521 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.855 -3.201 -8.982 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.549 -4.880 -10.007 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.680 -4.461 -11.278 1.00 0.00 H new ATOM 0 HE ARG A 65 0.603 -2.734 -11.525 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.282 -6.150 -11.895 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.962 -6.464 -13.110 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.210 -3.140 -13.096 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.377 -4.755 -13.792 1.00 0.00 H new ATOM 947 N CYS A 66 -3.535 -1.313 -8.224 1.00 0.00 N ATOM 948 CA CYS A 66 -3.851 -1.478 -6.816 1.00 0.00 C ATOM 949 C CYS A 66 -3.485 -2.906 -6.405 1.00 0.00 C ATOM 950 O CYS A 66 -4.328 -3.646 -5.903 1.00 0.00 O ATOM 951 CB CYS A 66 -5.318 -1.159 -6.524 1.00 0.00 C ATOM 952 SG CYS A 66 -6.402 -2.122 -7.640 1.00 0.00 S ATOM 0 H CYS A 66 -4.193 -1.758 -8.864 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.269 -0.770 -6.225 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.550 -1.395 -5.485 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.500 -0.093 -6.657 1.00 0.00 H new ATOM 0 HG CYS A 66 -7.646 -1.845 -7.382 1.00 0.00 H new ATOM 958 N GLY A 67 -2.226 -3.248 -6.634 1.00 0.00 N ATOM 959 CA GLY A 67 -1.737 -4.574 -6.294 1.00 0.00 C ATOM 960 C GLY A 67 -0.340 -4.809 -6.872 1.00 0.00 C ATOM 961 O GLY A 67 0.248 -3.908 -7.469 1.00 0.00 O ATOM 0 H GLY A 67 -1.529 -2.630 -7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.710 -4.689 -5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.424 -5.328 -6.677 1.00 0.00 H new ATOM 965 N PHE A 68 0.150 -6.024 -6.675 1.00 0.00 N ATOM 966 CA PHE A 68 1.467 -6.388 -7.169 1.00 0.00 C ATOM 967 C PHE A 68 1.749 -7.874 -6.934 1.00 0.00 C ATOM 968 O PHE A 68 1.035 -8.533 -6.180 1.00 0.00 O ATOM 969 CB PHE A 68 2.485 -5.558 -6.385 1.00 0.00 C ATOM 970 CG PHE A 68 3.932 -5.750 -6.845 1.00 0.00 C ATOM 971 CD1 PHE A 68 4.349 -5.209 -8.021 1.00 0.00 C ATOM 972 CD2 PHE A 68 4.800 -6.462 -6.078 1.00 0.00 C ATOM 973 CE1 PHE A 68 5.691 -5.388 -8.448 1.00 0.00 C ATOM 974 CE2 PHE A 68 6.143 -6.640 -6.505 1.00 0.00 C ATOM 975 CZ PHE A 68 6.560 -6.100 -7.681 1.00 0.00 C ATOM 0 H PHE A 68 -0.341 -6.769 -6.180 1.00 0.00 H new ATOM 0 HA PHE A 68 1.527 -6.199 -8.241 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.224 -4.504 -6.473 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.413 -5.817 -5.329 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.659 -4.643 -8.630 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.468 -6.892 -5.144 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.022 -4.959 -9.382 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.833 -7.204 -5.895 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.581 -6.236 -8.006 1.00 0.00 H new ATOM 985 N THR A 69 2.792 -8.357 -7.593 1.00 0.00 N ATOM 986 CA THR A 69 3.178 -9.752 -7.465 1.00 0.00 C ATOM 987 C THR A 69 4.666 -9.865 -7.130 1.00 0.00 C ATOM 988 O THR A 69 5.512 -9.356 -7.864 1.00 0.00 O ATOM 989 CB THR A 69 2.789 -10.470 -8.759 1.00 0.00 C ATOM 990 OG1 THR A 69 1.396 -10.728 -8.608 1.00 0.00 O ATOM 991 CG2 THR A 69 3.416 -11.862 -8.867 1.00 0.00 C ATOM 0 H THR A 69 3.382 -7.807 -8.217 1.00 0.00 H new ATOM 0 HA THR A 69 2.655 -10.234 -6.639 1.00 0.00 H new ATOM 0 HB THR A 69 3.094 -9.867 -9.614 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.061 -11.191 -9.404 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.108 -12.328 -9.803 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.502 -11.774 -8.845 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.085 -12.476 -8.030 1.00 0.00 H new ATOM 999 N VAL A 70 4.941 -10.536 -6.021 1.00 0.00 N ATOM 1000 CA VAL A 70 6.313 -10.723 -5.580 1.00 0.00 C ATOM 1001 C VAL A 70 6.861 -12.023 -6.171 1.00 0.00 C ATOM 1002 O VAL A 70 6.099 -12.935 -6.488 1.00 0.00 O ATOM 1003 CB VAL A 70 6.381 -10.685 -4.052 1.00 0.00 C ATOM 1004 CG1 VAL A 70 7.830 -10.584 -3.570 1.00 0.00 C ATOM 1005 CG2 VAL A 70 5.537 -9.537 -3.494 1.00 0.00 C ATOM 0 H VAL A 70 4.237 -10.957 -5.415 1.00 0.00 H new ATOM 0 HA VAL A 70 6.944 -9.911 -5.940 1.00 0.00 H new ATOM 0 HB VAL A 70 5.967 -11.620 -3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.850 -10.559 -2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.392 -11.449 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.281 -9.673 -3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.603 -9.533 -2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.909 -8.589 -3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.498 -9.670 -3.794 1.00 0.00 H new ATOM 1015 N LYS A 71 8.179 -12.068 -6.300 1.00 0.00 N ATOM 1016 CA LYS A 71 8.838 -13.241 -6.847 1.00 0.00 C ATOM 1017 C LYS A 71 10.070 -13.570 -6.001 1.00 0.00 C ATOM 1018 O LYS A 71 10.475 -12.776 -5.154 1.00 0.00 O ATOM 1019 CB LYS A 71 9.149 -13.039 -8.332 1.00 0.00 C ATOM 1020 CG LYS A 71 10.050 -11.820 -8.542 1.00 0.00 C ATOM 1021 CD LYS A 71 9.814 -11.195 -9.918 1.00 0.00 C ATOM 1022 CE LYS A 71 8.491 -10.426 -9.952 1.00 0.00 C ATOM 1023 NZ LYS A 71 8.667 -9.121 -10.627 1.00 0.00 N ATOM 0 H LYS A 71 8.808 -11.310 -6.035 1.00 0.00 H new ATOM 0 HA LYS A 71 8.176 -14.106 -6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.637 -13.929 -8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.220 -12.909 -8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.855 -11.081 -7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.095 -12.115 -8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.636 -10.522 -10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.805 -11.975 -10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.736 -11.013 -10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.128 -10.271 -8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.760 -8.612 -10.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.373 -8.556 -10.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.992 -9.276 -11.603 1.00 0.00 H new ATOM 1037 N ASP A 72 10.630 -14.743 -6.259 1.00 0.00 N ATOM 1038 CA ASP A 72 11.807 -15.186 -5.532 1.00 0.00 C ATOM 1039 C ASP A 72 11.477 -15.271 -4.040 1.00 0.00 C ATOM 1040 O ASP A 72 11.861 -14.396 -3.265 1.00 0.00 O ATOM 1041 CB ASP A 72 12.965 -14.201 -5.705 1.00 0.00 C ATOM 1042 CG ASP A 72 14.338 -14.741 -5.301 1.00 0.00 C ATOM 1043 OD1 ASP A 72 14.797 -15.689 -5.975 1.00 0.00 O ATOM 1044 OD2 ASP A 72 14.899 -14.194 -4.327 1.00 0.00 O ATOM 0 H ASP A 72 10.290 -15.400 -6.961 1.00 0.00 H new ATOM 0 HA ASP A 72 12.100 -16.159 -5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.006 -13.891 -6.749 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.754 -13.309 -5.116 1.00 0.00 H new ATOM 1049 N LEU A 73 10.769 -16.332 -3.682 1.00 0.00 N ATOM 1050 CA LEU A 73 10.384 -16.543 -2.297 1.00 0.00 C ATOM 1051 C LEU A 73 10.583 -18.016 -1.935 1.00 0.00 C ATOM 1052 O LEU A 73 10.417 -18.894 -2.779 1.00 0.00 O ATOM 1053 CB LEU A 73 8.960 -16.037 -2.055 1.00 0.00 C ATOM 1054 CG LEU A 73 8.618 -14.676 -2.665 1.00 0.00 C ATOM 1055 CD1 LEU A 73 7.106 -14.511 -2.823 1.00 0.00 C ATOM 1056 CD2 LEU A 73 9.237 -13.539 -1.849 1.00 0.00 C ATOM 0 H LEU A 73 10.452 -17.055 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 73 11.022 -15.962 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.262 -16.775 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.793 -15.983 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 73 9.053 -14.630 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.890 -13.535 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.721 -15.294 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.628 -14.586 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.979 -12.583 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.853 -13.572 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.321 -13.652 -1.832 1.00 0.00 H new ATOM 1068 N PRO A 74 10.947 -18.246 -0.645 1.00 0.00 N ATOM 1069 CA PRO A 74 11.171 -19.597 -0.160 1.00 0.00 C ATOM 1070 C PRO A 74 9.846 -20.333 0.046 1.00 0.00 C ATOM 1071 O PRO A 74 9.009 -19.902 0.838 1.00 0.00 O ATOM 1072 CB PRO A 74 11.963 -19.427 1.126 1.00 0.00 C ATOM 1073 CG PRO A 74 11.752 -17.985 1.558 1.00 0.00 C ATOM 1074 CD PRO A 74 11.154 -17.230 0.383 1.00 0.00 C ATOM 0 HA PRO A 74 11.720 -20.214 -0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.616 -20.119 1.893 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.021 -19.635 0.964 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.087 -17.938 2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.698 -17.535 1.860 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.216 -16.748 0.658 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.825 -16.445 0.034 1.00 0.00 H new ATOM 1082 N THR A 75 9.695 -21.430 -0.681 1.00 0.00 N ATOM 1083 CA THR A 75 8.486 -22.230 -0.588 1.00 0.00 C ATOM 1084 C THR A 75 8.327 -22.794 0.825 1.00 0.00 C ATOM 1085 O THR A 75 9.171 -23.558 1.291 1.00 0.00 O ATOM 1086 CB THR A 75 8.548 -23.310 -1.670 1.00 0.00 C ATOM 1087 OG1 THR A 75 8.756 -22.580 -2.876 1.00 0.00 O ATOM 1088 CG2 THR A 75 7.202 -24.005 -1.882 1.00 0.00 C ATOM 0 H THR A 75 10.391 -21.784 -1.338 1.00 0.00 H new ATOM 0 HA THR A 75 7.597 -21.624 -0.764 1.00 0.00 H new ATOM 0 HB THR A 75 9.300 -24.052 -1.400 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.059 -21.898 -2.970 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.302 -24.762 -2.660 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.887 -24.479 -0.953 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.457 -23.270 -2.185 1.00 0.00 H new ATOM 1096 N GLY A 76 7.239 -22.396 1.468 1.00 0.00 N ATOM 1097 CA GLY A 76 6.959 -22.852 2.819 1.00 0.00 C ATOM 1098 C GLY A 76 7.653 -21.963 3.853 1.00 0.00 C ATOM 1099 O GLY A 76 8.290 -22.463 4.779 1.00 0.00 O ATOM 0 H GLY A 76 6.541 -21.763 1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.883 -22.846 2.993 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.295 -23.882 2.936 1.00 0.00 H new ATOM 1103 N ALA A 77 7.505 -20.661 3.661 1.00 0.00 N ATOM 1104 CA ALA A 77 8.109 -19.697 4.565 1.00 0.00 C ATOM 1105 C ALA A 77 7.080 -18.622 4.919 1.00 0.00 C ATOM 1106 O ALA A 77 6.378 -18.118 4.044 1.00 0.00 O ATOM 1107 CB ALA A 77 9.367 -19.111 3.921 1.00 0.00 C ATOM 0 H ALA A 77 6.975 -20.250 2.892 1.00 0.00 H new ATOM 0 HA ALA A 77 8.413 -20.180 5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.820 -18.388 4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.078 -19.912 3.717 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.101 -18.615 2.987 1.00 0.00 H new ATOM 1113 N ARG A 78 7.024 -18.301 6.203 1.00 0.00 N ATOM 1114 CA ARG A 78 6.093 -17.295 6.684 1.00 0.00 C ATOM 1115 C ARG A 78 6.651 -15.893 6.433 1.00 0.00 C ATOM 1116 O ARG A 78 7.485 -15.407 7.196 1.00 0.00 O ATOM 1117 CB ARG A 78 5.819 -17.467 8.179 1.00 0.00 C ATOM 1118 CG ARG A 78 4.642 -18.417 8.415 1.00 0.00 C ATOM 1119 CD ARG A 78 5.101 -19.690 9.128 1.00 0.00 C ATOM 1120 NE ARG A 78 3.953 -20.329 9.811 1.00 0.00 N ATOM 1121 CZ ARG A 78 3.439 -19.902 10.973 1.00 0.00 C ATOM 1122 NH1 ARG A 78 3.966 -18.835 11.588 1.00 0.00 N ATOM 1123 NH2 ARG A 78 2.397 -20.543 11.519 1.00 0.00 N ATOM 0 H ARG A 78 7.609 -18.720 6.926 1.00 0.00 H new ATOM 0 HA ARG A 78 5.158 -17.421 6.138 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.709 -17.856 8.673 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.604 -16.497 8.627 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.880 -17.916 9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.182 -18.676 7.461 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.538 -20.382 8.409 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.879 -19.450 9.853 1.00 0.00 H new ATOM 0 HE ARG A 78 3.527 -21.144 9.370 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.759 -18.347 11.172 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.574 -18.511 12.472 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.995 -21.355 11.051 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.005 -20.219 12.403 1.00 0.00 H new ATOM 1137 N ILE A 79 6.169 -15.281 5.361 1.00 0.00 N ATOM 1138 CA ILE A 79 6.610 -13.945 5.000 1.00 0.00 C ATOM 1139 C ILE A 79 5.416 -12.988 5.050 1.00 0.00 C ATOM 1140 O ILE A 79 4.293 -13.375 4.732 1.00 0.00 O ATOM 1141 CB ILE A 79 7.327 -13.963 3.648 1.00 0.00 C ATOM 1142 CG1 ILE A 79 8.386 -15.066 3.605 1.00 0.00 C ATOM 1143 CG2 ILE A 79 7.916 -12.590 3.321 1.00 0.00 C ATOM 1144 CD1 ILE A 79 8.869 -15.307 2.173 1.00 0.00 C ATOM 0 H ILE A 79 5.477 -15.686 4.731 1.00 0.00 H new ATOM 0 HA ILE A 79 7.344 -13.579 5.718 1.00 0.00 H new ATOM 0 HB ILE A 79 6.593 -14.190 2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.231 -14.789 4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.972 -15.988 4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.420 -12.631 2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.116 -11.851 3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.633 -12.308 4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.621 -16.096 2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.026 -15.608 1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.304 -14.390 1.776 1.00 0.00 H new ATOM 1156 N LEU A 80 5.701 -11.758 5.451 1.00 0.00 N ATOM 1157 CA LEU A 80 4.665 -10.744 5.547 1.00 0.00 C ATOM 1158 C LEU A 80 4.834 -9.739 4.405 1.00 0.00 C ATOM 1159 O LEU A 80 5.955 -9.441 3.996 1.00 0.00 O ATOM 1160 CB LEU A 80 4.670 -10.102 6.936 1.00 0.00 C ATOM 1161 CG LEU A 80 4.074 -10.944 8.066 1.00 0.00 C ATOM 1162 CD1 LEU A 80 4.595 -10.481 9.428 1.00 0.00 C ATOM 1163 CD2 LEU A 80 2.545 -10.939 8.005 1.00 0.00 C ATOM 0 H LEU A 80 6.634 -11.441 5.713 1.00 0.00 H new ATOM 0 HA LEU A 80 3.679 -11.195 5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.699 -9.856 7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.121 -9.162 6.882 1.00 0.00 H new ATOM 0 HG LEU A 80 4.398 -11.976 7.931 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.156 -11.096 10.214 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.680 -10.579 9.455 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.320 -9.438 9.587 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.146 -11.545 8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.180 -9.916 8.101 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.218 -11.352 7.051 1.00 0.00 H new ATOM 1175 N PHE A 81 3.704 -9.245 3.922 1.00 0.00 N ATOM 1176 CA PHE A 81 3.712 -8.281 2.836 1.00 0.00 C ATOM 1177 C PHE A 81 3.060 -6.965 3.265 1.00 0.00 C ATOM 1178 O PHE A 81 1.941 -6.961 3.775 1.00 0.00 O ATOM 1179 CB PHE A 81 2.900 -8.889 1.691 1.00 0.00 C ATOM 1180 CG PHE A 81 3.486 -10.189 1.134 1.00 0.00 C ATOM 1181 CD1 PHE A 81 4.782 -10.229 0.723 1.00 0.00 C ATOM 1182 CD2 PHE A 81 2.711 -11.303 1.050 1.00 0.00 C ATOM 1183 CE1 PHE A 81 5.325 -11.435 0.207 1.00 0.00 C ATOM 1184 CE2 PHE A 81 3.254 -12.509 0.534 1.00 0.00 C ATOM 1185 CZ PHE A 81 4.550 -12.549 0.123 1.00 0.00 C ATOM 0 H PHE A 81 2.776 -9.495 4.263 1.00 0.00 H new ATOM 0 HA PHE A 81 4.738 -8.066 2.538 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.885 -9.080 2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.827 -8.160 0.884 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.397 -9.344 0.789 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.682 -11.270 1.376 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.354 -11.468 -0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.639 -13.394 0.468 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.964 -13.466 -0.270 1.00 0.00 H new ATOM 1195 N ARG A 82 3.787 -5.880 3.042 1.00 0.00 N ATOM 1196 CA ARG A 82 3.293 -4.562 3.400 1.00 0.00 C ATOM 1197 C ARG A 82 3.316 -3.638 2.180 1.00 0.00 C ATOM 1198 O ARG A 82 4.212 -3.731 1.343 1.00 0.00 O ATOM 1199 CB ARG A 82 4.136 -3.942 4.516 1.00 0.00 C ATOM 1200 CG ARG A 82 5.446 -3.376 3.965 1.00 0.00 C ATOM 1201 CD ARG A 82 6.604 -3.633 4.932 1.00 0.00 C ATOM 1202 NE ARG A 82 6.964 -2.381 5.634 1.00 0.00 N ATOM 1203 CZ ARG A 82 7.353 -1.258 5.015 1.00 0.00 C ATOM 1204 NH1 ARG A 82 7.435 -1.224 3.678 1.00 0.00 N ATOM 1205 NH2 ARG A 82 7.661 -0.170 5.733 1.00 0.00 N ATOM 0 H ARG A 82 4.715 -5.887 2.618 1.00 0.00 H new ATOM 0 HA ARG A 82 2.269 -4.677 3.755 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.571 -3.149 5.006 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.352 -4.695 5.274 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.666 -3.832 3.000 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.340 -2.305 3.795 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.321 -4.397 5.656 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.467 -4.015 4.386 1.00 0.00 H new ATOM 0 HE ARG A 82 6.913 -2.372 6.653 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.201 -2.053 3.131 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.731 -0.369 3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.599 -0.196 6.751 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.957 0.685 5.262 1.00 0.00 H new ATOM 1219 N VAL A 83 2.320 -2.767 2.119 1.00 0.00 N ATOM 1220 CA VAL A 83 2.214 -1.827 1.016 1.00 0.00 C ATOM 1221 C VAL A 83 2.182 -0.400 1.568 1.00 0.00 C ATOM 1222 O VAL A 83 1.417 -0.102 2.484 1.00 0.00 O ATOM 1223 CB VAL A 83 0.993 -2.162 0.157 1.00 0.00 C ATOM 1224 CG1 VAL A 83 0.449 -0.911 -0.535 1.00 0.00 C ATOM 1225 CG2 VAL A 83 1.323 -3.254 -0.862 1.00 0.00 C ATOM 0 H VAL A 83 1.579 -2.692 2.816 1.00 0.00 H new ATOM 0 HA VAL A 83 3.084 -1.905 0.365 1.00 0.00 H new ATOM 0 HB VAL A 83 0.214 -2.544 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.418 -1.177 -1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.157 -0.178 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.221 -0.485 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.438 -3.473 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.126 -2.912 -1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.640 -4.156 -0.339 1.00 0.00 H new ATOM 1235 N VAL A 84 3.023 0.444 0.988 1.00 0.00 N ATOM 1236 CA VAL A 84 3.101 1.832 1.411 1.00 0.00 C ATOM 1237 C VAL A 84 2.984 2.741 0.186 1.00 0.00 C ATOM 1238 O VAL A 84 3.682 2.543 -0.808 1.00 0.00 O ATOM 1239 CB VAL A 84 4.386 2.064 2.207 1.00 0.00 C ATOM 1240 CG1 VAL A 84 4.229 1.591 3.654 1.00 0.00 C ATOM 1241 CG2 VAL A 84 5.580 1.383 1.534 1.00 0.00 C ATOM 0 H VAL A 84 3.656 0.193 0.229 1.00 0.00 H new ATOM 0 HA VAL A 84 2.273 2.076 2.077 1.00 0.00 H new ATOM 0 HB VAL A 84 4.579 3.137 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.157 1.768 4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.419 2.142 4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.999 0.526 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.480 1.564 2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.398 0.310 1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.713 1.789 0.531 1.00 0.00 H new ATOM 1251 N GLY A 85 2.096 3.718 0.297 1.00 0.00 N ATOM 1252 CA GLY A 85 1.879 4.658 -0.790 1.00 0.00 C ATOM 1253 C GLY A 85 2.991 5.708 -0.837 1.00 0.00 C ATOM 1254 O GLY A 85 3.201 6.439 0.129 1.00 0.00 O ATOM 0 H GLY A 85 1.519 3.879 1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.841 4.121 -1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.915 5.150 -0.663 1.00 0.00 H new ATOM 1258 N VAL A 86 3.675 5.749 -1.972 1.00 0.00 N ATOM 1259 CA VAL A 86 4.760 6.696 -2.158 1.00 0.00 C ATOM 1260 C VAL A 86 4.227 7.942 -2.870 1.00 0.00 C ATOM 1261 O VAL A 86 3.210 7.880 -3.559 1.00 0.00 O ATOM 1262 CB VAL A 86 5.915 6.028 -2.906 1.00 0.00 C ATOM 1263 CG1 VAL A 86 6.704 5.100 -1.981 1.00 0.00 C ATOM 1264 CG2 VAL A 86 5.408 5.274 -4.137 1.00 0.00 C ATOM 0 H VAL A 86 3.498 5.141 -2.772 1.00 0.00 H new ATOM 0 HA VAL A 86 5.157 7.017 -1.195 1.00 0.00 H new ATOM 0 HB VAL A 86 6.590 6.812 -3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.519 4.638 -2.538 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.113 5.676 -1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.043 4.324 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.249 4.808 -4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.701 4.504 -3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.912 5.971 -4.812 1.00 0.00 H new ATOM 1274 N ASN A 87 4.938 9.043 -2.678 1.00 0.00 N ATOM 1275 CA ASN A 87 4.550 10.301 -3.294 1.00 0.00 C ATOM 1276 C ASN A 87 5.509 11.403 -2.840 1.00 0.00 C ATOM 1277 O ASN A 87 6.482 11.134 -2.138 1.00 0.00 O ATOM 1278 CB ASN A 87 3.135 10.704 -2.876 1.00 0.00 C ATOM 1279 CG ASN A 87 3.064 10.980 -1.372 1.00 0.00 C ATOM 1280 OD1 ASN A 87 3.856 10.486 -0.587 1.00 0.00 O ATOM 1281 ND2 ASN A 87 2.074 11.795 -1.018 1.00 0.00 N ATOM 0 H ASN A 87 5.780 9.090 -2.105 1.00 0.00 H new ATOM 0 HA ASN A 87 4.584 10.172 -4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.829 11.593 -3.427 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.435 9.910 -3.137 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.942 12.041 -0.037 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.447 12.173 -1.728 1.00 0.00 H new ATOM 1288 N ILE A 88 5.201 12.621 -3.260 1.00 0.00 N ATOM 1289 CA ILE A 88 6.023 13.766 -2.905 1.00 0.00 C ATOM 1290 C ILE A 88 6.278 13.758 -1.397 1.00 0.00 C ATOM 1291 O ILE A 88 7.414 13.917 -0.954 1.00 0.00 O ATOM 1292 CB ILE A 88 5.388 15.061 -3.415 1.00 0.00 C ATOM 1293 CG1 ILE A 88 6.386 16.219 -3.361 1.00 0.00 C ATOM 1294 CG2 ILE A 88 4.101 15.377 -2.652 1.00 0.00 C ATOM 1295 CD1 ILE A 88 6.408 16.986 -4.685 1.00 0.00 C ATOM 0 H ILE A 88 4.393 12.840 -3.843 1.00 0.00 H new ATOM 0 HA ILE A 88 6.996 13.702 -3.393 1.00 0.00 H new ATOM 0 HB ILE A 88 5.116 14.920 -4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.120 16.896 -2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.382 15.835 -3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.670 16.302 -3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.389 14.562 -2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.326 15.492 -1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.126 17.804 -4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.698 16.312 -5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.416 17.389 -4.888 1.00 0.00 H new ATOM 1307 N ALA A 89 5.200 13.571 -0.648 1.00 0.00 N ATOM 1308 CA ALA A 89 5.292 13.540 0.802 1.00 0.00 C ATOM 1309 C ALA A 89 6.393 12.563 1.218 1.00 0.00 C ATOM 1310 O ALA A 89 7.229 12.886 2.061 1.00 0.00 O ATOM 1311 CB ALA A 89 3.930 13.170 1.392 1.00 0.00 C ATOM 0 H ALA A 89 4.259 13.440 -1.018 1.00 0.00 H new ATOM 0 HA ALA A 89 5.559 14.523 1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.999 13.147 2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.190 13.911 1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.630 12.188 1.026 1.00 0.00 H new ATOM 1317 N GLY A 90 6.359 11.388 0.608 1.00 0.00 N ATOM 1318 CA GLY A 90 7.343 10.361 0.904 1.00 0.00 C ATOM 1319 C GLY A 90 6.696 8.975 0.945 1.00 0.00 C ATOM 1320 O GLY A 90 6.435 8.377 -0.098 1.00 0.00 O ATOM 0 H GLY A 90 5.665 11.124 -0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.129 10.377 0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.818 10.573 1.862 1.00 0.00 H new ATOM 1324 N ARG A 91 6.454 8.506 2.160 1.00 0.00 N ATOM 1325 CA ARG A 91 5.842 7.202 2.350 1.00 0.00 C ATOM 1326 C ARG A 91 4.769 7.273 3.438 1.00 0.00 C ATOM 1327 O ARG A 91 4.863 8.086 4.356 1.00 0.00 O ATOM 1328 CB ARG A 91 6.887 6.155 2.742 1.00 0.00 C ATOM 1329 CG ARG A 91 7.686 6.609 3.965 1.00 0.00 C ATOM 1330 CD ARG A 91 7.091 6.036 5.253 1.00 0.00 C ATOM 1331 NE ARG A 91 7.690 6.705 6.429 1.00 0.00 N ATOM 1332 CZ ARG A 91 8.929 6.464 6.879 1.00 0.00 C ATOM 1333 NH1 ARG A 91 9.707 5.569 6.255 1.00 0.00 N ATOM 1334 NH2 ARG A 91 9.390 7.118 7.954 1.00 0.00 N ATOM 0 H ARG A 91 6.671 9.005 3.023 1.00 0.00 H new ATOM 0 HA ARG A 91 5.387 6.908 1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.394 5.207 2.957 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.564 5.980 1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.723 6.289 3.866 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.692 7.698 4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.010 6.175 5.257 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.275 4.963 5.302 1.00 0.00 H new ATOM 0 HE ARG A 91 7.125 7.392 6.928 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.356 5.071 5.437 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.650 5.386 6.598 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.798 7.799 8.429 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.333 6.935 8.297 1.00 0.00 H new ATOM 1348 N SER A 92 3.772 6.411 3.299 1.00 0.00 N ATOM 1349 CA SER A 92 2.682 6.366 4.259 1.00 0.00 C ATOM 1350 C SER A 92 2.787 5.100 5.111 1.00 0.00 C ATOM 1351 O SER A 92 3.649 4.255 4.871 1.00 0.00 O ATOM 1352 CB SER A 92 1.325 6.419 3.553 1.00 0.00 C ATOM 1353 OG SER A 92 1.210 5.423 2.541 1.00 0.00 O ATOM 0 H SER A 92 3.696 5.738 2.536 1.00 0.00 H new ATOM 0 HA SER A 92 2.760 7.239 4.906 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.530 6.284 4.286 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.186 7.405 3.109 1.00 0.00 H new ATOM 0 HG SER A 92 0.330 5.489 2.115 1.00 0.00 H new ATOM 1359 N GLU A 93 1.899 5.008 6.090 1.00 0.00 N ATOM 1360 CA GLU A 93 1.881 3.860 6.980 1.00 0.00 C ATOM 1361 C GLU A 93 1.725 2.568 6.175 1.00 0.00 C ATOM 1362 O GLU A 93 0.922 2.504 5.246 1.00 0.00 O ATOM 1363 CB GLU A 93 0.771 3.992 8.024 1.00 0.00 C ATOM 1364 CG GLU A 93 1.243 4.815 9.225 1.00 0.00 C ATOM 1365 CD GLU A 93 1.281 3.961 10.494 1.00 0.00 C ATOM 1366 OE1 GLU A 93 0.205 3.817 11.113 1.00 0.00 O ATOM 1367 OE2 GLU A 93 2.385 3.471 10.815 1.00 0.00 O ATOM 0 H GLU A 93 1.186 5.711 6.286 1.00 0.00 H new ATOM 0 HA GLU A 93 2.832 3.822 7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.102 4.466 7.574 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.460 3.002 8.357 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.235 5.220 9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.576 5.664 9.374 1.00 0.00 H new ATOM 1374 N PRO A 94 2.527 1.543 6.572 1.00 0.00 N ATOM 1375 CA PRO A 94 2.486 0.257 5.898 1.00 0.00 C ATOM 1376 C PRO A 94 1.232 -0.528 6.290 1.00 0.00 C ATOM 1377 O PRO A 94 0.987 -0.763 7.472 1.00 0.00 O ATOM 1378 CB PRO A 94 3.774 -0.441 6.305 1.00 0.00 C ATOM 1379 CG PRO A 94 4.264 0.280 7.549 1.00 0.00 C ATOM 1380 CD PRO A 94 3.490 1.583 7.668 1.00 0.00 C ATOM 0 HA PRO A 94 2.425 0.352 4.814 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.598 -1.497 6.510 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.515 -0.390 5.507 1.00 0.00 H new ATOM 0 HG2 PRO A 94 4.110 -0.338 8.434 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.334 0.476 7.480 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.989 1.659 8.633 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.151 2.446 7.583 1.00 0.00 H new ATOM 1388 N ALA A 95 0.471 -0.911 5.275 1.00 0.00 N ATOM 1389 CA ALA A 95 -0.751 -1.663 5.499 1.00 0.00 C ATOM 1390 C ALA A 95 -0.409 -3.145 5.668 1.00 0.00 C ATOM 1391 O ALA A 95 -0.899 -3.989 4.919 1.00 0.00 O ATOM 1392 CB ALA A 95 -1.721 -1.418 4.341 1.00 0.00 C ATOM 0 H ALA A 95 0.678 -0.714 4.296 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.243 -1.331 6.413 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.638 -1.982 4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.955 -0.355 4.281 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.262 -1.742 3.407 1.00 0.00 H new ATOM 1398 N THR A 96 0.430 -3.416 6.657 1.00 0.00 N ATOM 1399 CA THR A 96 0.843 -4.781 6.935 1.00 0.00 C ATOM 1400 C THR A 96 -0.347 -5.735 6.809 1.00 0.00 C ATOM 1401 O THR A 96 -1.456 -5.408 7.228 1.00 0.00 O ATOM 1402 CB THR A 96 1.498 -4.805 8.317 1.00 0.00 C ATOM 1403 OG1 THR A 96 2.213 -3.575 8.384 1.00 0.00 O ATOM 1404 CG2 THR A 96 2.585 -5.875 8.432 1.00 0.00 C ATOM 0 H THR A 96 0.835 -2.713 7.276 1.00 0.00 H new ATOM 0 HA THR A 96 1.576 -5.128 6.207 1.00 0.00 H new ATOM 0 HB THR A 96 0.736 -4.980 9.076 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.667 -3.507 9.250 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.017 -5.849 9.432 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.149 -6.857 8.251 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.365 -5.682 7.695 1.00 0.00 H new ATOM 1412 N LEU A 97 -0.075 -6.895 6.230 1.00 0.00 N ATOM 1413 CA LEU A 97 -1.110 -7.898 6.044 1.00 0.00 C ATOM 1414 C LEU A 97 -1.623 -8.355 7.411 1.00 0.00 C ATOM 1415 O LEU A 97 -0.931 -8.212 8.417 1.00 0.00 O ATOM 1416 CB LEU A 97 -0.596 -9.042 5.167 1.00 0.00 C ATOM 1417 CG LEU A 97 -0.867 -8.911 3.667 1.00 0.00 C ATOM 1418 CD1 LEU A 97 -0.156 -10.016 2.883 1.00 0.00 C ATOM 1419 CD2 LEU A 97 -2.370 -8.883 3.383 1.00 0.00 C ATOM 0 H LEU A 97 0.846 -7.163 5.884 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.960 -7.474 5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.480 -9.132 5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.045 -9.972 5.517 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.457 -7.960 3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.365 -9.900 1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.919 -9.948 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.515 -10.989 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.536 -8.789 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.825 -9.806 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.821 -8.033 3.895 1.00 0.00 H new ATOM 1431 N LEU A 98 -2.833 -8.895 7.403 1.00 0.00 N ATOM 1432 CA LEU A 98 -3.447 -9.373 8.630 1.00 0.00 C ATOM 1433 C LEU A 98 -2.696 -10.612 9.121 1.00 0.00 C ATOM 1434 O LEU A 98 -2.527 -10.802 10.325 1.00 0.00 O ATOM 1435 CB LEU A 98 -4.946 -9.604 8.424 1.00 0.00 C ATOM 1436 CG LEU A 98 -5.835 -8.362 8.517 1.00 0.00 C ATOM 1437 CD1 LEU A 98 -7.229 -8.642 7.955 1.00 0.00 C ATOM 1438 CD2 LEU A 98 -5.891 -7.835 9.953 1.00 0.00 C ATOM 0 H LEU A 98 -3.404 -9.012 6.566 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.369 -8.620 9.414 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.092 -10.059 7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.287 -10.327 9.165 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.392 -7.578 7.903 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.840 -7.743 8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.147 -8.935 6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.695 -9.448 8.522 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.529 -6.952 9.992 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.297 -8.606 10.608 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.886 -7.571 10.283 1.00 0.00 H new ATOM 1450 N GLN A 99 -2.267 -11.423 8.166 1.00 0.00 N ATOM 1451 CA GLN A 99 -1.538 -12.638 8.487 1.00 0.00 C ATOM 1452 C GLN A 99 -0.421 -12.872 7.467 1.00 0.00 C ATOM 1453 O GLN A 99 -0.469 -12.345 6.357 1.00 0.00 O ATOM 1454 CB GLN A 99 -2.480 -13.841 8.554 1.00 0.00 C ATOM 1455 CG GLN A 99 -2.996 -14.212 7.162 1.00 0.00 C ATOM 1456 CD GLN A 99 -3.869 -15.467 7.217 1.00 0.00 C ATOM 1457 OE1 GLN A 99 -4.790 -15.580 8.010 1.00 0.00 O ATOM 1458 NE2 GLN A 99 -3.531 -16.401 6.332 1.00 0.00 N ATOM 0 H GLN A 99 -2.410 -11.263 7.169 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.085 -12.518 9.471 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.958 -14.692 8.991 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.321 -13.613 9.209 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.571 -13.382 6.751 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.154 -14.380 6.491 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.749 -16.242 5.697 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.054 -17.276 6.289 1.00 0.00 H new ATOM 1467 N PRO A 100 0.584 -13.684 7.892 1.00 0.00 N ATOM 1468 CA PRO A 100 1.711 -13.995 7.028 1.00 0.00 C ATOM 1469 C PRO A 100 1.311 -14.998 5.945 1.00 0.00 C ATOM 1470 O PRO A 100 0.201 -15.528 5.963 1.00 0.00 O ATOM 1471 CB PRO A 100 2.787 -14.525 7.961 1.00 0.00 C ATOM 1472 CG PRO A 100 2.069 -14.928 9.239 1.00 0.00 C ATOM 1473 CD PRO A 100 0.674 -14.326 9.200 1.00 0.00 C ATOM 0 HA PRO A 100 2.072 -13.126 6.478 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.303 -15.377 7.518 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.541 -13.763 8.160 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.014 -16.014 9.320 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.615 -14.571 10.112 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.092 -15.093 9.318 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.531 -13.606 10.005 1.00 0.00 H new ATOM 1481 N VAL A 101 2.237 -15.230 5.027 1.00 0.00 N ATOM 1482 CA VAL A 101 1.996 -16.160 3.937 1.00 0.00 C ATOM 1483 C VAL A 101 3.034 -17.283 3.992 1.00 0.00 C ATOM 1484 O VAL A 101 4.222 -17.026 4.179 1.00 0.00 O ATOM 1485 CB VAL A 101 1.992 -15.413 2.602 1.00 0.00 C ATOM 1486 CG1 VAL A 101 2.104 -16.388 1.428 1.00 0.00 C ATOM 1487 CG2 VAL A 101 0.747 -14.535 2.468 1.00 0.00 C ATOM 0 H VAL A 101 3.157 -14.789 5.015 1.00 0.00 H new ATOM 0 HA VAL A 101 1.013 -16.621 4.038 1.00 0.00 H new ATOM 0 HB VAL A 101 2.865 -14.761 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.099 -15.831 0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.033 -16.951 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.259 -17.077 1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.770 -14.015 1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.145 -15.159 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.728 -13.804 3.277 1.00 0.00 H new ATOM 1497 N THR A 102 2.547 -18.504 3.824 1.00 0.00 N ATOM 1498 CA THR A 102 3.418 -19.667 3.852 1.00 0.00 C ATOM 1499 C THR A 102 4.111 -19.846 2.499 1.00 0.00 C ATOM 1500 O THR A 102 5.137 -20.518 2.408 1.00 0.00 O ATOM 1501 CB THR A 102 2.579 -20.876 4.269 1.00 0.00 C ATOM 1502 OG1 THR A 102 2.913 -21.073 5.641 1.00 0.00 O ATOM 1503 CG2 THR A 102 3.033 -22.168 3.587 1.00 0.00 C ATOM 0 H THR A 102 1.561 -18.713 3.668 1.00 0.00 H new ATOM 0 HA THR A 102 4.220 -19.543 4.580 1.00 0.00 H new ATOM 0 HB THR A 102 1.531 -20.689 4.032 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.412 -21.838 5.993 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.404 -22.995 3.918 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.948 -22.058 2.506 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.071 -22.373 3.850 1.00 0.00 H new ATOM 1511 N ILE A 103 3.523 -19.233 1.483 1.00 0.00 N ATOM 1512 CA ILE A 103 4.071 -19.317 0.140 1.00 0.00 C ATOM 1513 C ILE A 103 3.978 -20.761 -0.355 1.00 0.00 C ATOM 1514 O ILE A 103 4.808 -21.597 0.000 1.00 0.00 O ATOM 1515 CB ILE A 103 5.489 -18.744 0.103 1.00 0.00 C ATOM 1516 CG1 ILE A 103 5.519 -17.318 0.659 1.00 0.00 C ATOM 1517 CG2 ILE A 103 6.076 -18.822 -1.308 1.00 0.00 C ATOM 1518 CD1 ILE A 103 4.785 -16.351 -0.273 1.00 0.00 C ATOM 0 H ILE A 103 2.672 -18.676 1.563 1.00 0.00 H new ATOM 0 HA ILE A 103 3.487 -18.706 -0.548 1.00 0.00 H new ATOM 0 HB ILE A 103 6.121 -19.354 0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.057 -17.299 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.552 -16.994 0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.084 -18.408 -1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.112 -19.863 -1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.451 -18.251 -1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.821 -15.345 0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.264 -16.355 -1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.746 -16.664 -0.377 1.00 0.00 H new ATOM 1530 N ARG A 104 2.961 -21.011 -1.167 1.00 0.00 N ATOM 1531 CA ARG A 104 2.750 -22.340 -1.714 1.00 0.00 C ATOM 1532 C ARG A 104 1.592 -22.324 -2.714 1.00 0.00 C ATOM 1533 O ARG A 104 0.640 -21.561 -2.556 1.00 0.00 O ATOM 1534 CB ARG A 104 2.443 -23.350 -0.606 1.00 0.00 C ATOM 1535 CG ARG A 104 3.625 -24.296 -0.385 1.00 0.00 C ATOM 1536 CD ARG A 104 3.715 -24.728 1.080 1.00 0.00 C ATOM 1537 NE ARG A 104 3.739 -26.205 1.172 1.00 0.00 N ATOM 1538 CZ ARG A 104 3.870 -26.884 2.319 1.00 0.00 C ATOM 1539 NH1 ARG A 104 3.989 -26.224 3.479 1.00 0.00 N ATOM 1540 NH2 ARG A 104 3.881 -28.224 2.307 1.00 0.00 N ATOM 0 H ARG A 104 2.274 -20.316 -1.459 1.00 0.00 H new ATOM 0 HA ARG A 104 3.668 -22.640 -2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.217 -22.822 0.320 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.556 -23.926 -0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.516 -25.175 -1.021 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.551 -23.802 -0.680 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.614 -24.312 1.536 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.864 -24.335 1.637 1.00 0.00 H new ATOM 0 HE ARG A 104 3.650 -26.739 0.308 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.980 -25.204 3.489 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.089 -26.741 4.352 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.790 -28.727 1.424 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.981 -28.741 3.181 1.00 0.00 H new ATOM 1554 N GLU A 105 1.710 -23.176 -3.722 1.00 0.00 N ATOM 1555 CA GLU A 105 0.686 -23.269 -4.748 1.00 0.00 C ATOM 1556 C GLU A 105 -0.261 -24.433 -4.448 1.00 0.00 C ATOM 1557 O GLU A 105 0.183 -25.521 -4.084 1.00 0.00 O ATOM 1558 CB GLU A 105 1.311 -23.416 -6.137 1.00 0.00 C ATOM 1559 CG GLU A 105 0.619 -22.501 -7.149 1.00 0.00 C ATOM 1560 CD GLU A 105 -0.390 -23.282 -7.994 1.00 0.00 C ATOM 1561 OE1 GLU A 105 -1.538 -23.423 -7.520 1.00 0.00 O ATOM 1562 OE2 GLU A 105 0.010 -23.720 -9.094 1.00 0.00 O ATOM 0 H GLU A 105 2.500 -23.808 -3.850 1.00 0.00 H new ATOM 0 HA GLU A 105 0.109 -22.344 -4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.373 -23.174 -6.089 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.234 -24.452 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 105 0.111 -21.692 -6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.364 -22.042 -7.798 1.00 0.00 H new ATOM 1569 N SER A 106 -1.548 -24.164 -4.611 1.00 0.00 N ATOM 1570 CA SER A 106 -2.562 -25.176 -4.362 1.00 0.00 C ATOM 1571 C SER A 106 -2.555 -26.212 -5.488 1.00 0.00 C ATOM 1572 O SER A 106 -3.191 -26.014 -6.522 1.00 0.00 O ATOM 1573 CB SER A 106 -3.949 -24.545 -4.230 1.00 0.00 C ATOM 1574 OG SER A 106 -4.545 -24.825 -2.967 1.00 0.00 O ATOM 0 H SER A 106 -1.912 -23.260 -4.912 1.00 0.00 H new ATOM 0 HA SER A 106 -2.327 -25.671 -3.420 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.870 -23.466 -4.362 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.594 -24.918 -5.026 1.00 0.00 H new ATOM 0 HG SER A 106 -5.428 -24.403 -2.922 1.00 0.00 H new ATOM 1580 N GLY A 107 -1.828 -27.294 -5.249 1.00 0.00 N ATOM 1581 CA GLY A 107 -1.730 -28.361 -6.230 1.00 0.00 C ATOM 1582 C GLY A 107 -2.706 -29.494 -5.907 1.00 0.00 C ATOM 1583 O GLY A 107 -2.869 -29.866 -4.746 1.00 0.00 O ATOM 0 H GLY A 107 -1.301 -27.454 -4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.941 -27.967 -7.224 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.711 -28.748 -6.251 1.00 0.00 H new ATOM 1587 N PRO A 108 -3.347 -30.024 -6.983 1.00 0.00 N ATOM 1588 CA PRO A 108 -4.303 -31.107 -6.826 1.00 0.00 C ATOM 1589 C PRO A 108 -3.589 -32.433 -6.554 1.00 0.00 C ATOM 1590 O PRO A 108 -2.475 -32.651 -7.027 1.00 0.00 O ATOM 1591 CB PRO A 108 -5.102 -31.118 -8.119 1.00 0.00 C ATOM 1592 CG PRO A 108 -4.266 -30.353 -9.132 1.00 0.00 C ATOM 1593 CD PRO A 108 -3.180 -29.609 -8.373 1.00 0.00 C ATOM 0 HA PRO A 108 -4.961 -30.966 -5.968 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -5.286 -32.138 -8.456 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -6.075 -30.647 -7.981 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -3.825 -31.037 -9.857 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -4.888 -29.654 -9.691 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -2.189 -29.866 -8.747 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -3.291 -28.530 -8.480 1.00 0.00 H new ATOM 1601 N SER A 109 -4.261 -33.284 -5.792 1.00 0.00 N ATOM 1602 CA SER A 109 -3.705 -34.583 -5.451 1.00 0.00 C ATOM 1603 C SER A 109 -2.306 -34.413 -4.856 1.00 0.00 C ATOM 1604 O SER A 109 -1.314 -34.409 -5.583 1.00 0.00 O ATOM 1605 CB SER A 109 -3.653 -35.498 -6.676 1.00 0.00 C ATOM 1606 OG SER A 109 -3.458 -36.863 -6.314 1.00 0.00 O ATOM 0 H SER A 109 -5.185 -33.099 -5.401 1.00 0.00 H new ATOM 0 HA SER A 109 -4.354 -35.049 -4.710 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.580 -35.401 -7.241 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.845 -35.178 -7.334 1.00 0.00 H new ATOM 0 HG SER A 109 -3.432 -37.415 -7.123 1.00 0.00 H new ATOM 1612 N SER A 110 -2.271 -34.277 -3.538 1.00 0.00 N ATOM 1613 CA SER A 110 -1.010 -34.107 -2.836 1.00 0.00 C ATOM 1614 C SER A 110 -0.262 -32.893 -3.391 1.00 0.00 C ATOM 1615 O SER A 110 0.258 -32.935 -4.505 1.00 0.00 O ATOM 1616 CB SER A 110 -0.143 -35.362 -2.950 1.00 0.00 C ATOM 1617 OG SER A 110 0.455 -35.712 -1.705 1.00 0.00 O ATOM 0 H SER A 110 -3.096 -34.281 -2.938 1.00 0.00 H new ATOM 0 HA SER A 110 -1.226 -33.942 -1.780 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.752 -36.193 -3.306 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.637 -35.198 -3.693 1.00 0.00 H new ATOM 0 HG SER A 110 0.999 -36.519 -1.819 1.00 0.00 H new ATOM 1623 N GLY A 111 -0.231 -31.839 -2.588 1.00 0.00 N ATOM 1624 CA GLY A 111 0.445 -30.616 -2.985 1.00 0.00 C ATOM 1625 C GLY A 111 1.848 -30.543 -2.378 1.00 0.00 C ATOM 1626 O GLY A 111 2.798 -30.143 -3.049 1.00 0.00 O ATOM 0 H GLY A 111 -0.663 -31.807 -1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 111 0.512 -30.570 -4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -0.139 -29.753 -2.665 1.00 0.00 H new TER 1630 GLY A 111