USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 384 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 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 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.36 K(o=-0.36,f=-3!) USER MOD Single : A 20 SER OG : rot -115:sc= 1.09 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -166:sc= -9.95! (180deg=-11.5!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.6!) USER MOD Single : A 29 MET CE :methyl 134:sc= -2.85! (180deg=-3.66!) USER MOD Single : A 33 ASN : amide:sc= -2.24! C(o=-2.2!,f=-3!) USER MOD Single : A 34 TYR OH : rot 180:sc= -2.62 USER MOD Single : A 35 ASN : amide:sc= -0.0958 K(o=-0.096,f=-0.6) USER MOD Single : A 37 ASN : amide:sc= -4.72! C(o=-4.7!,f=-10!) USER MOD Single : A 39 GLN : amide:sc= -0.239 K(o=-0.24,f=0.72) USER MOD Single : A 44 THR OG1 : rot 4:sc= 0.461 USER MOD Single : A 48 THR OG1 : rot -104:sc= 0.0138 USER MOD Single : A 49 ASN : amide:sc= -0.351 K(o=-0.35,f=-3!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0138) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.263 K(o=-0.26,f=-2.7!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.757 3.172 2.107 1.00 0.00 N ATOM 2 CA GLY A 1 19.173 4.563 2.136 1.00 0.00 C ATOM 3 C GLY A 1 18.042 5.485 1.673 1.00 0.00 C ATOM 4 O GLY A 1 17.294 6.013 2.494 1.00 0.00 O ATOM 0 H1 GLY A 1 19.542 2.568 2.425 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.941 3.040 2.738 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.490 2.910 1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.477 4.834 3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.043 4.699 1.494 1.00 0.00 H new ATOM 8 N SER A 2 17.955 5.649 0.362 1.00 0.00 N ATOM 9 CA SER A 2 16.928 6.497 -0.218 1.00 0.00 C ATOM 10 C SER A 2 17.091 7.934 0.281 1.00 0.00 C ATOM 11 O SER A 2 16.647 8.267 1.379 1.00 0.00 O ATOM 12 CB SER A 2 15.529 5.975 0.115 1.00 0.00 C ATOM 13 OG SER A 2 15.149 4.891 -0.728 1.00 0.00 O ATOM 0 H SER A 2 18.578 5.209 -0.315 1.00 0.00 H new ATOM 0 HA SER A 2 17.044 6.481 -1.302 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.501 5.652 1.156 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.806 6.784 0.013 1.00 0.00 H new ATOM 0 HG SER A 2 14.251 4.585 -0.483 1.00 0.00 H new ATOM 18 N SER A 3 17.729 8.747 -0.549 1.00 0.00 N ATOM 19 CA SER A 3 17.956 10.140 -0.205 1.00 0.00 C ATOM 20 C SER A 3 17.172 11.048 -1.153 1.00 0.00 C ATOM 21 O SER A 3 16.343 11.843 -0.713 1.00 0.00 O ATOM 22 CB SER A 3 19.446 10.483 -0.253 1.00 0.00 C ATOM 23 OG SER A 3 19.753 11.640 0.520 1.00 0.00 O ATOM 0 H SER A 3 18.096 8.467 -1.459 1.00 0.00 H new ATOM 0 HA SER A 3 17.606 10.302 0.815 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.025 9.636 0.116 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.747 10.648 -1.288 1.00 0.00 H new ATOM 0 HG SER A 3 20.714 11.825 0.465 1.00 0.00 H new ATOM 28 N GLY A 4 17.461 10.900 -2.438 1.00 0.00 N ATOM 29 CA GLY A 4 16.793 11.697 -3.453 1.00 0.00 C ATOM 30 C GLY A 4 17.797 12.556 -4.224 1.00 0.00 C ATOM 31 O GLY A 4 18.619 13.246 -3.624 1.00 0.00 O ATOM 0 H GLY A 4 18.149 10.240 -2.799 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.263 11.042 -4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.046 12.337 -2.984 1.00 0.00 H new ATOM 35 N SER A 5 17.697 12.485 -5.543 1.00 0.00 N ATOM 36 CA SER A 5 18.587 13.248 -6.403 1.00 0.00 C ATOM 37 C SER A 5 17.773 14.193 -7.290 1.00 0.00 C ATOM 38 O SER A 5 16.580 13.980 -7.501 1.00 0.00 O ATOM 39 CB SER A 5 19.449 12.322 -7.263 1.00 0.00 C ATOM 40 OG SER A 5 18.741 11.840 -8.403 1.00 0.00 O ATOM 0 H SER A 5 17.014 11.911 -6.038 1.00 0.00 H new ATOM 0 HA SER A 5 19.253 13.836 -5.772 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.341 12.857 -7.589 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.786 11.478 -6.661 1.00 0.00 H new ATOM 0 HG SER A 5 19.326 11.254 -8.927 1.00 0.00 H new ATOM 45 N SER A 6 18.451 15.217 -7.785 1.00 0.00 N ATOM 46 CA SER A 6 17.807 16.195 -8.645 1.00 0.00 C ATOM 47 C SER A 6 18.195 15.946 -10.104 1.00 0.00 C ATOM 48 O SER A 6 19.262 16.369 -10.547 1.00 0.00 O ATOM 49 CB SER A 6 18.179 17.622 -8.233 1.00 0.00 C ATOM 50 OG SER A 6 17.031 18.400 -7.906 1.00 0.00 O ATOM 0 H SER A 6 19.440 15.391 -7.607 1.00 0.00 H new ATOM 0 HA SER A 6 16.728 16.085 -8.539 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.850 17.588 -7.375 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.724 18.103 -9.045 1.00 0.00 H new ATOM 0 HG SER A 6 17.311 19.303 -7.647 1.00 0.00 H new ATOM 55 N GLY A 7 17.307 15.262 -10.811 1.00 0.00 N ATOM 56 CA GLY A 7 17.544 14.952 -12.210 1.00 0.00 C ATOM 57 C GLY A 7 16.223 14.747 -12.957 1.00 0.00 C ATOM 58 O GLY A 7 15.162 15.123 -12.462 1.00 0.00 O ATOM 0 H GLY A 7 16.423 14.914 -10.441 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.107 15.761 -12.675 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.154 14.052 -12.289 1.00 0.00 H new ATOM 62 N PRO A 8 16.337 14.136 -14.166 1.00 0.00 N ATOM 63 CA PRO A 8 15.165 13.875 -14.986 1.00 0.00 C ATOM 64 C PRO A 8 14.356 12.702 -14.429 1.00 0.00 C ATOM 65 O PRO A 8 14.760 11.547 -14.560 1.00 0.00 O ATOM 66 CB PRO A 8 15.711 13.613 -16.380 1.00 0.00 C ATOM 67 CG PRO A 8 17.181 13.276 -16.195 1.00 0.00 C ATOM 68 CD PRO A 8 17.577 13.677 -14.783 1.00 0.00 C ATOM 0 HA PRO A 8 14.465 14.710 -14.998 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.179 12.791 -16.860 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.588 14.488 -17.018 1.00 0.00 H new ATOM 0 HG2 PRO A 8 17.351 12.211 -16.351 1.00 0.00 H new ATOM 0 HG3 PRO A 8 17.789 13.807 -16.927 1.00 0.00 H new ATOM 0 HD2 PRO A 8 18.003 12.835 -14.237 1.00 0.00 H new ATOM 0 HD3 PRO A 8 18.330 14.465 -14.792 1.00 0.00 H new ATOM 73 N SER A 9 13.229 13.039 -13.820 1.00 0.00 N ATOM 74 CA SER A 9 12.359 12.028 -13.243 1.00 0.00 C ATOM 75 C SER A 9 10.901 12.477 -13.336 1.00 0.00 C ATOM 76 O SER A 9 10.619 13.671 -13.421 1.00 0.00 O ATOM 77 CB SER A 9 12.735 11.744 -11.786 1.00 0.00 C ATOM 78 OG SER A 9 13.039 10.368 -11.573 1.00 0.00 O ATOM 0 H SER A 9 12.898 13.998 -13.713 1.00 0.00 H new ATOM 0 HA SER A 9 12.485 11.105 -13.809 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.595 12.353 -11.508 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.912 12.039 -11.135 1.00 0.00 H new ATOM 0 HG SER A 9 13.276 10.227 -10.633 1.00 0.00 H new ATOM 83 N HIS A 10 10.010 11.496 -13.318 1.00 0.00 N ATOM 84 CA HIS A 10 8.586 11.776 -13.399 1.00 0.00 C ATOM 85 C HIS A 10 8.130 12.490 -12.126 1.00 0.00 C ATOM 86 O HIS A 10 8.601 12.181 -11.033 1.00 0.00 O ATOM 87 CB HIS A 10 7.796 10.495 -13.677 1.00 0.00 C ATOM 88 CG HIS A 10 8.288 9.717 -14.873 1.00 0.00 C ATOM 89 ND1 HIS A 10 8.575 10.312 -16.089 1.00 0.00 N ATOM 90 CD2 HIS A 10 8.541 8.385 -15.028 1.00 0.00 C ATOM 91 CE1 HIS A 10 8.981 9.373 -16.930 1.00 0.00 C ATOM 92 NE2 HIS A 10 8.958 8.179 -16.271 1.00 0.00 N ATOM 0 H HIS A 10 10.247 10.506 -13.249 1.00 0.00 H new ATOM 0 HA HIS A 10 8.390 12.444 -14.238 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.841 9.854 -12.796 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.748 10.753 -13.830 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.422 7.627 -14.268 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.278 9.526 -17.957 1.00 0.00 H new ATOM 0 HE2 HIS A 10 9.218 7.276 -16.668 1.00 0.00 H new ATOM 99 N SER A 11 7.217 13.433 -12.310 1.00 0.00 N ATOM 100 CA SER A 11 6.691 14.195 -11.189 1.00 0.00 C ATOM 101 C SER A 11 5.966 13.262 -10.218 1.00 0.00 C ATOM 102 O SER A 11 6.265 13.249 -9.024 1.00 0.00 O ATOM 103 CB SER A 11 5.748 15.300 -11.669 1.00 0.00 C ATOM 104 OG SER A 11 6.180 16.591 -11.248 1.00 0.00 O ATOM 0 H SER A 11 6.828 13.687 -13.218 1.00 0.00 H new ATOM 0 HA SER A 11 7.527 14.667 -10.673 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.685 15.276 -12.757 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.745 15.111 -11.288 1.00 0.00 H new ATOM 0 HG SER A 11 5.553 17.269 -11.576 1.00 0.00 H new ATOM 109 N LEU A 12 5.027 12.503 -10.764 1.00 0.00 N ATOM 110 CA LEU A 12 4.257 11.569 -9.960 1.00 0.00 C ATOM 111 C LEU A 12 5.188 10.482 -9.418 1.00 0.00 C ATOM 112 O LEU A 12 4.930 9.910 -8.360 1.00 0.00 O ATOM 113 CB LEU A 12 3.074 11.023 -10.759 1.00 0.00 C ATOM 114 CG LEU A 12 1.687 11.484 -10.306 1.00 0.00 C ATOM 115 CD1 LEU A 12 0.752 11.669 -11.503 1.00 0.00 C ATOM 116 CD2 LEU A 12 1.105 10.527 -9.265 1.00 0.00 C ATOM 0 H LEU A 12 4.782 12.516 -11.754 1.00 0.00 H new ATOM 0 HA LEU A 12 3.822 12.076 -9.098 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.206 11.306 -11.803 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.105 9.934 -10.717 1.00 0.00 H new ATOM 0 HG LEU A 12 1.790 12.457 -9.826 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.227 11.997 -11.153 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.167 12.419 -12.176 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.649 10.723 -12.034 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.119 10.877 -8.960 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.018 9.530 -9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.762 10.491 -8.396 1.00 0.00 H new ATOM 127 N GLN A 13 6.250 10.230 -10.167 1.00 0.00 N ATOM 128 CA GLN A 13 7.220 9.221 -9.776 1.00 0.00 C ATOM 129 C GLN A 13 6.532 7.867 -9.587 1.00 0.00 C ATOM 130 O GLN A 13 5.312 7.801 -9.448 1.00 0.00 O ATOM 131 CB GLN A 13 7.964 9.639 -8.505 1.00 0.00 C ATOM 132 CG GLN A 13 9.266 8.853 -8.348 1.00 0.00 C ATOM 133 CD GLN A 13 10.409 9.767 -7.900 1.00 0.00 C ATOM 134 OE1 GLN A 13 10.301 10.982 -7.899 1.00 0.00 O ATOM 135 NE2 GLN A 13 11.504 9.118 -7.519 1.00 0.00 N ATOM 0 H GLN A 13 6.461 10.707 -11.044 1.00 0.00 H new ATOM 0 HA GLN A 13 7.956 9.125 -10.574 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.182 10.706 -8.541 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.328 9.473 -7.636 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.127 8.055 -7.619 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.525 8.379 -9.295 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.528 8.099 -7.544 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.321 9.639 -7.201 1.00 0.00 H new ATOM 142 N ALA A 14 7.345 6.821 -9.591 1.00 0.00 N ATOM 143 CA ALA A 14 6.830 5.473 -9.423 1.00 0.00 C ATOM 144 C ALA A 14 5.859 5.446 -8.241 1.00 0.00 C ATOM 145 O ALA A 14 5.952 6.277 -7.337 1.00 0.00 O ATOM 146 CB ALA A 14 7.996 4.500 -9.241 1.00 0.00 C ATOM 0 H ALA A 14 8.357 6.880 -9.708 1.00 0.00 H new ATOM 0 HA ALA A 14 6.279 5.160 -10.310 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.610 3.489 -9.115 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.640 4.536 -10.120 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.570 4.782 -8.358 1.00 0.00 H new ATOM 152 N PRO A 15 4.925 4.460 -8.286 1.00 0.00 N ATOM 153 CA PRO A 15 3.937 4.314 -7.230 1.00 0.00 C ATOM 154 C PRO A 15 4.565 3.709 -5.972 1.00 0.00 C ATOM 155 O PRO A 15 4.687 4.383 -4.950 1.00 0.00 O ATOM 156 CB PRO A 15 2.846 3.441 -7.828 1.00 0.00 C ATOM 157 CG PRO A 15 3.477 2.749 -9.026 1.00 0.00 C ATOM 158 CD PRO A 15 4.783 3.459 -9.341 1.00 0.00 C ATOM 0 HA PRO A 15 3.528 5.270 -6.902 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.486 2.713 -7.101 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.988 4.041 -8.131 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.658 1.697 -8.807 1.00 0.00 H new ATOM 0 HG3 PRO A 15 2.806 2.785 -9.884 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.622 2.763 -9.342 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.753 3.924 -10.326 1.00 0.00 H new ATOM 163 N GLU A 16 4.946 2.446 -6.088 1.00 0.00 N ATOM 164 CA GLU A 16 5.557 1.744 -4.973 1.00 0.00 C ATOM 165 C GLU A 16 6.539 2.661 -4.242 1.00 0.00 C ATOM 166 O GLU A 16 6.484 2.787 -3.020 1.00 0.00 O ATOM 167 CB GLU A 16 6.250 0.464 -5.445 1.00 0.00 C ATOM 168 CG GLU A 16 6.846 -0.305 -4.265 1.00 0.00 C ATOM 169 CD GLU A 16 8.166 0.324 -3.810 1.00 0.00 C ATOM 170 OE1 GLU A 16 8.951 0.703 -4.706 1.00 0.00 O ATOM 171 OE2 GLU A 16 8.357 0.413 -2.579 1.00 0.00 O ATOM 0 H GLU A 16 4.843 1.890 -6.937 1.00 0.00 H new ATOM 0 HA GLU A 16 4.771 1.457 -4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.535 -0.168 -5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.038 0.714 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.138 -0.312 -3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.013 -1.344 -4.550 1.00 0.00 H new ATOM 176 N VAL A 17 7.416 3.277 -5.022 1.00 0.00 N ATOM 177 CA VAL A 17 8.408 4.180 -4.463 1.00 0.00 C ATOM 178 C VAL A 17 7.701 5.298 -3.696 1.00 0.00 C ATOM 179 O VAL A 17 8.123 5.669 -2.602 1.00 0.00 O ATOM 180 CB VAL A 17 9.324 4.702 -5.572 1.00 0.00 C ATOM 181 CG1 VAL A 17 10.197 5.852 -5.066 1.00 0.00 C ATOM 182 CG2 VAL A 17 10.181 3.575 -6.152 1.00 0.00 C ATOM 0 H VAL A 17 7.460 3.169 -6.035 1.00 0.00 H new ATOM 0 HA VAL A 17 9.046 3.653 -3.753 1.00 0.00 H new ATOM 0 HB VAL A 17 8.694 5.088 -6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.838 6.205 -5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.561 6.669 -4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.814 5.503 -4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.823 3.973 -6.938 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.798 3.144 -5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.534 2.803 -6.568 1.00 0.00 H new ATOM 192 N ARG A 18 6.636 5.806 -4.300 1.00 0.00 N ATOM 193 CA ARG A 18 5.866 6.875 -3.688 1.00 0.00 C ATOM 194 C ARG A 18 5.412 6.464 -2.285 1.00 0.00 C ATOM 195 O ARG A 18 5.769 7.109 -1.301 1.00 0.00 O ATOM 196 CB ARG A 18 4.639 7.223 -4.532 1.00 0.00 C ATOM 197 CG ARG A 18 4.321 8.716 -4.446 1.00 0.00 C ATOM 198 CD ARG A 18 2.917 9.010 -4.981 1.00 0.00 C ATOM 199 NE ARG A 18 2.794 10.446 -5.318 1.00 0.00 N ATOM 200 CZ ARG A 18 2.754 11.430 -4.409 1.00 0.00 C ATOM 201 NH1 ARG A 18 2.827 11.140 -3.103 1.00 0.00 N ATOM 202 NH2 ARG A 18 2.641 12.705 -4.806 1.00 0.00 N ATOM 0 H ARG A 18 6.288 5.496 -5.208 1.00 0.00 H new ATOM 0 HA ARG A 18 6.509 7.753 -3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.817 6.945 -5.571 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.781 6.644 -4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.396 9.048 -3.411 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.057 9.282 -5.017 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.721 8.403 -5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.170 8.738 -4.235 1.00 0.00 H new ATOM 0 HE ARG A 18 2.736 10.703 -6.303 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.913 10.170 -2.800 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.797 11.889 -2.412 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.585 12.927 -5.800 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.611 13.454 -4.114 1.00 0.00 H new ATOM 213 N PHE A 19 4.630 5.395 -2.240 1.00 0.00 N ATOM 214 CA PHE A 19 4.124 4.893 -0.975 1.00 0.00 C ATOM 215 C PHE A 19 4.931 3.681 -0.503 1.00 0.00 C ATOM 216 O PHE A 19 4.371 2.732 0.043 1.00 0.00 O ATOM 217 CB PHE A 19 2.674 4.463 -1.213 1.00 0.00 C ATOM 218 CG PHE A 19 1.864 5.448 -2.057 1.00 0.00 C ATOM 219 CD1 PHE A 19 1.538 6.669 -1.552 1.00 0.00 C ATOM 220 CD2 PHE A 19 1.469 5.105 -3.312 1.00 0.00 C ATOM 221 CE1 PHE A 19 0.786 7.583 -2.336 1.00 0.00 C ATOM 222 CE2 PHE A 19 0.717 6.019 -4.096 1.00 0.00 C ATOM 223 CZ PHE A 19 0.391 7.239 -3.591 1.00 0.00 C ATOM 0 H PHE A 19 4.335 4.863 -3.059 1.00 0.00 H new ATOM 0 HA PHE A 19 4.200 5.666 -0.211 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.670 3.490 -1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.181 4.335 -0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.851 6.943 -0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.728 4.136 -3.713 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.527 8.552 -1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.404 5.746 -5.093 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.182 7.935 -4.187 1.00 0.00 H new ATOM 232 N SER A 20 6.234 3.754 -0.731 1.00 0.00 N ATOM 233 CA SER A 20 7.124 2.675 -0.336 1.00 0.00 C ATOM 234 C SER A 20 7.203 2.594 1.190 1.00 0.00 C ATOM 235 O SER A 20 6.997 1.529 1.769 1.00 0.00 O ATOM 236 CB SER A 20 8.521 2.869 -0.930 1.00 0.00 C ATOM 237 OG SER A 20 8.967 4.217 -0.816 1.00 0.00 O ATOM 0 H SER A 20 6.695 4.543 -1.184 1.00 0.00 H new ATOM 0 HA SER A 20 6.720 1.739 -0.723 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.225 2.210 -0.422 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.512 2.578 -1.980 1.00 0.00 H new ATOM 0 HG SER A 20 9.064 4.606 -1.710 1.00 0.00 H new ATOM 242 N LYS A 21 7.502 3.733 1.797 1.00 0.00 N ATOM 243 CA LYS A 21 7.611 3.804 3.244 1.00 0.00 C ATOM 244 C LYS A 21 6.399 3.116 3.876 1.00 0.00 C ATOM 245 O LYS A 21 6.478 2.622 5.000 1.00 0.00 O ATOM 246 CB LYS A 21 7.801 5.252 3.696 1.00 0.00 C ATOM 247 CG LYS A 21 9.253 5.514 4.104 1.00 0.00 C ATOM 248 CD LYS A 21 9.377 5.658 5.622 1.00 0.00 C ATOM 249 CE LYS A 21 10.721 5.117 6.116 1.00 0.00 C ATOM 250 NZ LYS A 21 10.685 4.894 7.579 1.00 0.00 N ATOM 0 H LYS A 21 7.672 4.614 1.313 1.00 0.00 H new ATOM 0 HA LYS A 21 8.497 3.269 3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.519 5.928 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.140 5.464 4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.885 4.695 3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.613 6.421 3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.279 6.707 5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.563 5.121 6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.953 4.182 5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.516 5.821 5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.605 4.527 7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.485 5.793 8.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.940 4.205 7.807 1.00 0.00 H new ATOM 260 N GLU A 22 5.307 3.106 3.126 1.00 0.00 N ATOM 261 CA GLU A 22 4.080 2.487 3.600 1.00 0.00 C ATOM 262 C GLU A 22 4.117 0.979 3.351 1.00 0.00 C ATOM 263 O GLU A 22 3.830 0.190 4.250 1.00 0.00 O ATOM 264 CB GLU A 22 2.855 3.122 2.939 1.00 0.00 C ATOM 265 CG GLU A 22 2.720 4.594 3.334 1.00 0.00 C ATOM 266 CD GLU A 22 3.353 5.505 2.278 1.00 0.00 C ATOM 267 OE1 GLU A 22 4.579 5.373 2.078 1.00 0.00 O ATOM 268 OE2 GLU A 22 2.595 6.312 1.698 1.00 0.00 O ATOM 0 H GLU A 22 5.246 3.516 2.194 1.00 0.00 H new ATOM 0 HA GLU A 22 4.001 2.657 4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.938 3.039 1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.957 2.579 3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.667 4.847 3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.200 4.761 4.298 1.00 0.00 H new ATOM 273 N MET A 23 4.473 0.621 2.125 1.00 0.00 N ATOM 274 CA MET A 23 4.551 -0.779 1.747 1.00 0.00 C ATOM 275 C MET A 23 5.458 -1.556 2.703 1.00 0.00 C ATOM 276 O MET A 23 5.229 -2.737 2.962 1.00 0.00 O ATOM 277 CB MET A 23 5.094 -0.894 0.322 1.00 0.00 C ATOM 278 CG MET A 23 4.071 -0.386 -0.698 1.00 0.00 C ATOM 279 SD MET A 23 2.571 -1.346 -0.588 1.00 0.00 S ATOM 280 CE MET A 23 2.874 -2.541 -1.879 1.00 0.00 C ATOM 0 H MET A 23 4.710 1.277 1.381 1.00 0.00 H new ATOM 0 HA MET A 23 3.549 -1.206 1.799 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.017 -0.321 0.233 1.00 0.00 H new ATOM 0 HB3 MET A 23 5.342 -1.933 0.106 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.853 0.666 -0.514 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.484 -0.455 -1.705 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.946 -3.061 -2.118 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.243 -2.030 -2.768 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.617 -3.262 -1.540 1.00 0.00 H new ATOM 288 N GLU A 24 6.470 -0.862 3.202 1.00 0.00 N ATOM 289 CA GLU A 24 7.413 -1.472 4.124 1.00 0.00 C ATOM 290 C GLU A 24 6.759 -1.684 5.491 1.00 0.00 C ATOM 291 O GLU A 24 7.008 -2.690 6.153 1.00 0.00 O ATOM 292 CB GLU A 24 8.682 -0.626 4.250 1.00 0.00 C ATOM 293 CG GLU A 24 9.802 -1.184 3.370 1.00 0.00 C ATOM 294 CD GLU A 24 11.113 -1.290 4.153 1.00 0.00 C ATOM 295 OE1 GLU A 24 11.814 -0.258 4.229 1.00 0.00 O ATOM 296 OE2 GLU A 24 11.384 -2.401 4.657 1.00 0.00 O ATOM 0 H GLU A 24 6.658 0.117 2.985 1.00 0.00 H new ATOM 0 HA GLU A 24 7.701 -2.445 3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.467 0.403 3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.008 -0.605 5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.518 -2.167 2.994 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.943 -0.539 2.503 1.00 0.00 H new ATOM 301 N CYS A 25 5.933 -0.720 5.871 1.00 0.00 N ATOM 302 CA CYS A 25 5.241 -0.789 7.147 1.00 0.00 C ATOM 303 C CYS A 25 4.197 -1.905 7.067 1.00 0.00 C ATOM 304 O CYS A 25 4.182 -2.808 7.902 1.00 0.00 O ATOM 305 CB CYS A 25 4.613 0.555 7.523 1.00 0.00 C ATOM 306 SG CYS A 25 4.855 0.882 9.307 1.00 0.00 S ATOM 0 H CYS A 25 5.728 0.112 5.318 1.00 0.00 H new ATOM 0 HA CYS A 25 5.954 -1.016 7.939 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.064 1.354 6.934 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.549 0.547 7.287 1.00 0.00 H new ATOM 0 HG CYS A 25 4.320 2.026 9.615 1.00 0.00 H new ATOM 311 N LEU A 26 3.347 -1.805 6.055 1.00 0.00 N ATOM 312 CA LEU A 26 2.302 -2.794 5.856 1.00 0.00 C ATOM 313 C LEU A 26 2.890 -4.195 6.039 1.00 0.00 C ATOM 314 O LEU A 26 2.326 -5.020 6.757 1.00 0.00 O ATOM 315 CB LEU A 26 1.619 -2.587 4.502 1.00 0.00 C ATOM 316 CG LEU A 26 0.824 -1.289 4.345 1.00 0.00 C ATOM 317 CD1 LEU A 26 0.732 -0.879 2.874 1.00 0.00 C ATOM 318 CD2 LEU A 26 -0.557 -1.409 4.994 1.00 0.00 C ATOM 0 H LEU A 26 3.361 -1.054 5.365 1.00 0.00 H new ATOM 0 HA LEU A 26 1.519 -2.676 6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.381 -2.620 3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.946 -3.426 4.324 1.00 0.00 H new ATOM 0 HG LEU A 26 1.357 -0.496 4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.162 0.046 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.735 -0.725 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.233 -1.665 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.101 -0.473 4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.113 -2.218 4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.442 -1.622 6.057 1.00 0.00 H new ATOM 329 N GLN A 27 4.016 -4.421 5.377 1.00 0.00 N ATOM 330 CA GLN A 27 4.686 -5.708 5.458 1.00 0.00 C ATOM 331 C GLN A 27 4.985 -6.059 6.918 1.00 0.00 C ATOM 332 O GLN A 27 4.605 -7.128 7.393 1.00 0.00 O ATOM 333 CB GLN A 27 5.965 -5.713 4.620 1.00 0.00 C ATOM 334 CG GLN A 27 5.877 -6.743 3.493 1.00 0.00 C ATOM 335 CD GLN A 27 6.621 -8.028 3.864 1.00 0.00 C ATOM 336 OE1 GLN A 27 6.980 -8.260 5.006 1.00 0.00 O ATOM 337 NE2 GLN A 27 6.831 -8.847 2.837 1.00 0.00 N ATOM 0 H GLN A 27 4.481 -3.735 4.783 1.00 0.00 H new ATOM 0 HA GLN A 27 4.021 -6.469 5.050 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.132 -4.722 4.199 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.821 -5.938 5.257 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.832 -6.971 3.285 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.300 -6.325 2.580 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.504 -8.591 1.905 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.319 -9.731 2.981 1.00 0.00 H new ATOM 344 N ALA A 28 5.664 -5.139 7.587 1.00 0.00 N ATOM 345 CA ALA A 28 6.018 -5.339 8.983 1.00 0.00 C ATOM 346 C ALA A 28 4.799 -5.857 9.745 1.00 0.00 C ATOM 347 O ALA A 28 4.903 -6.811 10.515 1.00 0.00 O ATOM 348 CB ALA A 28 6.557 -4.030 9.564 1.00 0.00 C ATOM 0 H ALA A 28 5.978 -4.254 7.189 1.00 0.00 H new ATOM 0 HA ALA A 28 6.806 -6.087 9.076 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.823 -4.179 10.611 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.441 -3.721 9.006 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.792 -3.257 9.490 1.00 0.00 H new ATOM 354 N MET A 29 3.669 -5.208 9.504 1.00 0.00 N ATOM 355 CA MET A 29 2.430 -5.592 10.159 1.00 0.00 C ATOM 356 C MET A 29 2.027 -7.017 9.776 1.00 0.00 C ATOM 357 O MET A 29 1.405 -7.724 10.567 1.00 0.00 O ATOM 358 CB MET A 29 1.318 -4.621 9.758 1.00 0.00 C ATOM 359 CG MET A 29 1.478 -3.278 10.474 1.00 0.00 C ATOM 360 SD MET A 29 1.404 -1.942 9.291 1.00 0.00 S ATOM 361 CE MET A 29 -0.109 -1.151 9.813 1.00 0.00 C ATOM 0 H MET A 29 3.586 -4.418 8.864 1.00 0.00 H new ATOM 0 HA MET A 29 2.584 -5.555 11.237 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.337 -4.466 8.679 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.347 -5.053 10.001 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.692 -3.158 11.220 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.429 -3.251 11.006 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.043 -0.073 9.865 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.901 -1.372 9.097 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.394 -1.525 10.796 1.00 0.00 H new ATOM 369 N GLY A 30 2.397 -7.397 8.561 1.00 0.00 N ATOM 370 CA GLY A 30 2.081 -8.724 8.063 1.00 0.00 C ATOM 371 C GLY A 30 1.409 -8.650 6.690 1.00 0.00 C ATOM 372 O GLY A 30 1.286 -9.660 6.000 1.00 0.00 O ATOM 0 H GLY A 30 2.913 -6.808 7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.993 -9.317 7.994 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.423 -9.233 8.767 1.00 0.00 H new ATOM 376 N PHE A 31 0.992 -7.443 6.336 1.00 0.00 N ATOM 377 CA PHE A 31 0.337 -7.224 5.058 1.00 0.00 C ATOM 378 C PHE A 31 1.325 -7.383 3.900 1.00 0.00 C ATOM 379 O PHE A 31 1.748 -6.397 3.301 1.00 0.00 O ATOM 380 CB PHE A 31 -0.192 -5.788 5.067 1.00 0.00 C ATOM 381 CG PHE A 31 -1.376 -5.568 6.011 1.00 0.00 C ATOM 382 CD1 PHE A 31 -2.545 -6.231 5.804 1.00 0.00 C ATOM 383 CD2 PHE A 31 -1.259 -4.707 7.058 1.00 0.00 C ATOM 384 CE1 PHE A 31 -3.643 -6.027 6.680 1.00 0.00 C ATOM 385 CE2 PHE A 31 -2.358 -4.501 7.934 1.00 0.00 C ATOM 386 CZ PHE A 31 -3.526 -5.166 7.727 1.00 0.00 C ATOM 0 H PHE A 31 1.095 -6.607 6.912 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.462 -7.952 4.921 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.617 -5.115 5.352 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.492 -5.515 4.055 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.638 -6.914 4.972 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.331 -4.180 7.223 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.571 -6.555 6.516 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.266 -3.816 8.764 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.361 -5.011 8.394 1.00 0.00 H new ATOM 395 N VAL A 32 1.664 -8.633 3.622 1.00 0.00 N ATOM 396 CA VAL A 32 2.594 -8.934 2.547 1.00 0.00 C ATOM 397 C VAL A 32 1.928 -8.633 1.203 1.00 0.00 C ATOM 398 O VAL A 32 2.610 -8.431 0.199 1.00 0.00 O ATOM 399 CB VAL A 32 3.077 -10.382 2.663 1.00 0.00 C ATOM 400 CG1 VAL A 32 3.704 -10.642 4.034 1.00 0.00 C ATOM 401 CG2 VAL A 32 1.938 -11.365 2.386 1.00 0.00 C ATOM 0 H VAL A 32 1.311 -9.449 4.122 1.00 0.00 H new ATOM 0 HA VAL A 32 3.479 -8.302 2.620 1.00 0.00 H new ATOM 0 HB VAL A 32 3.846 -10.540 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.039 -11.678 4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.556 -9.977 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.965 -10.457 4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.309 -12.386 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.136 -11.206 3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.556 -11.204 1.378 1.00 0.00 H new ATOM 411 N ASN A 33 0.603 -8.612 1.226 1.00 0.00 N ATOM 412 CA ASN A 33 -0.162 -8.338 0.021 1.00 0.00 C ATOM 413 C ASN A 33 0.304 -7.013 -0.584 1.00 0.00 C ATOM 414 O ASN A 33 -0.217 -5.952 -0.243 1.00 0.00 O ATOM 415 CB ASN A 33 -1.655 -8.216 0.333 1.00 0.00 C ATOM 416 CG ASN A 33 -2.499 -8.874 -0.760 1.00 0.00 C ATOM 417 OD1 ASN A 33 -2.074 -9.045 -1.890 1.00 0.00 O ATOM 418 ND2 ASN A 33 -3.716 -9.233 -0.360 1.00 0.00 N ATOM 0 H ASN A 33 0.040 -8.780 2.060 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.004 -9.163 -0.673 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.869 -8.684 1.294 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.927 -7.164 0.423 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.357 -9.681 -1.015 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.008 -9.060 0.602 1.00 0.00 H new ATOM 424 N TYR A 34 1.283 -7.116 -1.471 1.00 0.00 N ATOM 425 CA TYR A 34 1.825 -5.939 -2.128 1.00 0.00 C ATOM 426 C TYR A 34 0.854 -5.401 -3.181 1.00 0.00 C ATOM 427 O TYR A 34 0.303 -4.313 -3.025 1.00 0.00 O ATOM 428 CB TYR A 34 3.110 -6.397 -2.821 1.00 0.00 C ATOM 429 CG TYR A 34 3.788 -5.309 -3.656 1.00 0.00 C ATOM 430 CD1 TYR A 34 4.620 -4.391 -3.048 1.00 0.00 C ATOM 431 CD2 TYR A 34 3.568 -5.245 -5.017 1.00 0.00 C ATOM 432 CE1 TYR A 34 5.259 -3.367 -3.834 1.00 0.00 C ATOM 433 CE2 TYR A 34 4.207 -4.222 -5.803 1.00 0.00 C ATOM 434 CZ TYR A 34 5.021 -3.333 -5.172 1.00 0.00 C ATOM 435 OH TYR A 34 5.624 -2.365 -5.914 1.00 0.00 O ATOM 0 H TYR A 34 1.715 -7.997 -1.750 1.00 0.00 H new ATOM 0 HA TYR A 34 2.001 -5.143 -1.404 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.812 -6.751 -2.066 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.880 -7.245 -3.466 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.792 -4.440 -1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.916 -5.963 -5.493 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.912 -2.643 -3.371 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.044 -4.162 -6.869 1.00 0.00 H new ATOM 0 HH TYR A 34 5.364 -2.463 -6.854 1.00 0.00 H new ATOM 444 N ASN A 35 0.675 -6.190 -4.231 1.00 0.00 N ATOM 445 CA ASN A 35 -0.221 -5.808 -5.309 1.00 0.00 C ATOM 446 C ASN A 35 -1.477 -5.163 -4.720 1.00 0.00 C ATOM 447 O ASN A 35 -2.008 -4.204 -5.279 1.00 0.00 O ATOM 448 CB ASN A 35 -0.653 -7.027 -6.125 1.00 0.00 C ATOM 449 CG ASN A 35 0.288 -7.257 -7.310 1.00 0.00 C ATOM 450 OD1 ASN A 35 0.698 -6.336 -7.996 1.00 0.00 O ATOM 451 ND2 ASN A 35 0.604 -8.533 -7.509 1.00 0.00 N ATOM 0 H ASN A 35 1.135 -7.091 -4.358 1.00 0.00 H new ATOM 0 HA ASN A 35 0.310 -5.111 -5.957 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.663 -7.911 -5.487 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.671 -6.884 -6.487 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.226 -8.791 -8.275 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.224 -9.254 -6.896 1.00 0.00 H new ATOM 457 N ALA A 36 -1.916 -5.715 -3.599 1.00 0.00 N ATOM 458 CA ALA A 36 -3.100 -5.207 -2.927 1.00 0.00 C ATOM 459 C ALA A 36 -2.760 -3.885 -2.237 1.00 0.00 C ATOM 460 O ALA A 36 -3.313 -2.840 -2.580 1.00 0.00 O ATOM 461 CB ALA A 36 -3.624 -6.259 -1.948 1.00 0.00 C ATOM 0 H ALA A 36 -1.473 -6.510 -3.139 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.895 -5.009 -3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.512 -5.877 -1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.879 -7.168 -2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.855 -6.482 -1.208 1.00 0.00 H new ATOM 467 N ASN A 37 -1.853 -3.973 -1.274 1.00 0.00 N ATOM 468 CA ASN A 37 -1.433 -2.796 -0.532 1.00 0.00 C ATOM 469 C ASN A 37 -1.229 -1.631 -1.503 1.00 0.00 C ATOM 470 O ASN A 37 -1.795 -0.556 -1.317 1.00 0.00 O ATOM 471 CB ASN A 37 -0.109 -3.046 0.192 1.00 0.00 C ATOM 472 CG ASN A 37 -0.313 -3.948 1.413 1.00 0.00 C ATOM 473 OD1 ASN A 37 -1.362 -3.965 2.036 1.00 0.00 O ATOM 474 ND2 ASN A 37 0.745 -4.693 1.717 1.00 0.00 N ATOM 0 H ASN A 37 -1.398 -4.841 -0.991 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.207 -2.565 0.200 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.602 -3.509 -0.492 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.323 -2.096 0.506 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.709 -5.328 2.514 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.592 -4.630 1.153 1.00 0.00 H new ATOM 480 N LEU A 38 -0.416 -1.886 -2.519 1.00 0.00 N ATOM 481 CA LEU A 38 -0.130 -0.872 -3.519 1.00 0.00 C ATOM 482 C LEU A 38 -1.443 -0.251 -4.000 1.00 0.00 C ATOM 483 O LEU A 38 -1.678 0.940 -3.802 1.00 0.00 O ATOM 484 CB LEU A 38 0.723 -1.458 -4.647 1.00 0.00 C ATOM 485 CG LEU A 38 1.896 -0.596 -5.118 1.00 0.00 C ATOM 486 CD1 LEU A 38 2.562 -1.206 -6.353 1.00 0.00 C ATOM 487 CD2 LEU A 38 1.453 0.848 -5.359 1.00 0.00 C ATOM 0 H LEU A 38 0.053 -2.779 -2.670 1.00 0.00 H new ATOM 0 HA LEU A 38 0.464 -0.067 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.115 -2.420 -4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.075 -1.653 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 38 2.645 -0.574 -4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.393 -0.574 -6.668 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.934 -2.201 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.834 -1.277 -7.161 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.306 1.439 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.676 0.868 -6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.061 1.268 -4.433 1.00 0.00 H new ATOM 498 N GLN A 39 -2.262 -1.085 -4.622 1.00 0.00 N ATOM 499 CA GLN A 39 -3.545 -0.631 -5.133 1.00 0.00 C ATOM 500 C GLN A 39 -4.271 0.204 -4.077 1.00 0.00 C ATOM 501 O GLN A 39 -4.650 1.345 -4.336 1.00 0.00 O ATOM 502 CB GLN A 39 -4.404 -1.815 -5.583 1.00 0.00 C ATOM 503 CG GLN A 39 -3.839 -2.451 -6.854 1.00 0.00 C ATOM 504 CD GLN A 39 -4.519 -3.790 -7.147 1.00 0.00 C ATOM 505 OE1 GLN A 39 -4.290 -4.790 -6.487 1.00 0.00 O ATOM 506 NE2 GLN A 39 -5.367 -3.753 -8.171 1.00 0.00 N ATOM 0 H GLN A 39 -2.063 -2.072 -4.784 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.366 -0.002 -6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.448 -2.560 -4.788 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.426 -1.480 -5.763 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.981 -1.775 -7.697 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.765 -2.601 -6.743 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.512 -2.882 -8.682 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.872 -4.596 -8.446 1.00 0.00 H new ATOM 513 N ALA A 40 -4.444 -0.397 -2.909 1.00 0.00 N ATOM 514 CA ALA A 40 -5.118 0.276 -1.812 1.00 0.00 C ATOM 515 C ALA A 40 -4.502 1.663 -1.616 1.00 0.00 C ATOM 516 O ALA A 40 -5.209 2.670 -1.640 1.00 0.00 O ATOM 517 CB ALA A 40 -5.029 -0.584 -0.551 1.00 0.00 C ATOM 0 H ALA A 40 -4.129 -1.344 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.176 0.412 -2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.535 -0.078 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.506 -1.547 -0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.982 -0.741 -0.291 1.00 0.00 H new ATOM 523 N LEU A 41 -3.191 1.672 -1.427 1.00 0.00 N ATOM 524 CA LEU A 41 -2.472 2.919 -1.226 1.00 0.00 C ATOM 525 C LEU A 41 -2.890 3.922 -2.303 1.00 0.00 C ATOM 526 O LEU A 41 -3.438 4.979 -1.992 1.00 0.00 O ATOM 527 CB LEU A 41 -0.964 2.665 -1.174 1.00 0.00 C ATOM 528 CG LEU A 41 -0.438 2.004 0.101 1.00 0.00 C ATOM 529 CD1 LEU A 41 0.851 1.227 -0.175 1.00 0.00 C ATOM 530 CD2 LEU A 41 -0.259 3.033 1.219 1.00 0.00 C ATOM 0 H LEU A 41 -2.607 0.836 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.731 3.358 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.692 2.038 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.451 3.618 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.181 1.283 0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.203 0.767 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.657 0.451 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.612 1.908 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.116 2.536 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.453 3.795 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.218 3.502 1.439 1.00 0.00 H new ATOM 541 N ILE A 42 -2.617 3.556 -3.546 1.00 0.00 N ATOM 542 CA ILE A 42 -2.958 4.411 -4.670 1.00 0.00 C ATOM 543 C ILE A 42 -4.438 4.788 -4.588 1.00 0.00 C ATOM 544 O ILE A 42 -4.819 5.905 -4.937 1.00 0.00 O ATOM 545 CB ILE A 42 -2.566 3.743 -5.989 1.00 0.00 C ATOM 546 CG1 ILE A 42 -1.046 3.609 -6.105 1.00 0.00 C ATOM 547 CG2 ILE A 42 -3.166 4.491 -7.182 1.00 0.00 C ATOM 548 CD1 ILE A 42 -0.667 2.565 -7.159 1.00 0.00 C ATOM 0 H ILE A 42 -2.163 2.678 -3.800 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.389 5.340 -4.628 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.981 2.735 -5.998 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.611 4.573 -6.370 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.627 3.325 -5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.872 3.996 -8.107 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.253 4.493 -7.101 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.801 5.518 -7.189 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.419 2.489 -7.222 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.083 1.597 -6.879 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.066 2.865 -8.128 1.00 0.00 H new ATOM 559 N ALA A 43 -5.233 3.836 -4.123 1.00 0.00 N ATOM 560 CA ALA A 43 -6.664 4.053 -3.991 1.00 0.00 C ATOM 561 C ALA A 43 -6.921 5.063 -2.870 1.00 0.00 C ATOM 562 O ALA A 43 -7.952 5.732 -2.856 1.00 0.00 O ATOM 563 CB ALA A 43 -7.363 2.716 -3.742 1.00 0.00 C ATOM 0 H ALA A 43 -4.913 2.912 -3.833 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.075 4.469 -4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.436 2.879 -3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.174 2.045 -4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.978 2.269 -2.825 1.00 0.00 H new ATOM 569 N THR A 44 -5.963 5.140 -1.957 1.00 0.00 N ATOM 570 CA THR A 44 -6.072 6.057 -0.835 1.00 0.00 C ATOM 571 C THR A 44 -5.050 7.187 -0.968 1.00 0.00 C ATOM 572 O THR A 44 -4.773 7.896 -0.002 1.00 0.00 O ATOM 573 CB THR A 44 -5.917 5.247 0.454 1.00 0.00 C ATOM 574 OG1 THR A 44 -4.614 4.679 0.353 1.00 0.00 O ATOM 575 CG2 THR A 44 -6.849 4.034 0.499 1.00 0.00 C ATOM 0 H THR A 44 -5.109 4.583 -1.972 1.00 0.00 H new ATOM 0 HA THR A 44 -7.047 6.544 -0.816 1.00 0.00 H new ATOM 0 HB THR A 44 -6.115 5.890 1.312 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.176 5.008 -0.459 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.699 3.494 1.434 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.885 4.368 0.435 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.628 3.374 -0.340 1.00 0.00 H new ATOM 583 N ASP A 45 -4.515 7.319 -2.173 1.00 0.00 N ATOM 584 CA ASP A 45 -3.529 8.352 -2.446 1.00 0.00 C ATOM 585 C ASP A 45 -2.466 8.339 -1.346 1.00 0.00 C ATOM 586 O ASP A 45 -1.983 9.391 -0.931 1.00 0.00 O ATOM 587 CB ASP A 45 -4.175 9.739 -2.463 1.00 0.00 C ATOM 588 CG ASP A 45 -5.243 9.942 -3.539 1.00 0.00 C ATOM 589 OD1 ASP A 45 -4.919 9.680 -4.718 1.00 0.00 O ATOM 590 OD2 ASP A 45 -6.361 10.354 -3.159 1.00 0.00 O ATOM 0 H ASP A 45 -4.745 6.728 -2.972 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.087 8.148 -3.421 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.624 9.926 -1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.393 10.486 -2.603 1.00 0.00 H new ATOM 594 N GLY A 46 -2.132 7.135 -0.904 1.00 0.00 N ATOM 595 CA GLY A 46 -1.135 6.971 0.140 1.00 0.00 C ATOM 596 C GLY A 46 -1.720 7.306 1.514 1.00 0.00 C ATOM 597 O GLY A 46 -1.670 8.454 1.950 1.00 0.00 O ATOM 0 H GLY A 46 -2.534 6.264 -1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.766 5.945 0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.281 7.617 -0.063 1.00 0.00 H new ATOM 601 N ASP A 47 -2.259 6.281 2.158 1.00 0.00 N ATOM 602 CA ASP A 47 -2.852 6.452 3.472 1.00 0.00 C ATOM 603 C ASP A 47 -2.921 5.095 4.177 1.00 0.00 C ATOM 604 O ASP A 47 -3.958 4.434 4.160 1.00 0.00 O ATOM 605 CB ASP A 47 -4.276 7.002 3.368 1.00 0.00 C ATOM 606 CG ASP A 47 -4.865 7.527 4.679 1.00 0.00 C ATOM 607 OD1 ASP A 47 -4.146 7.444 5.697 1.00 0.00 O ATOM 608 OD2 ASP A 47 -6.023 7.996 4.633 1.00 0.00 O ATOM 0 H ASP A 47 -2.297 5.329 1.793 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.234 7.155 4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.285 7.808 2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.926 6.215 2.985 1.00 0.00 H new ATOM 612 N THR A 48 -1.802 4.721 4.781 1.00 0.00 N ATOM 613 CA THR A 48 -1.722 3.456 5.489 1.00 0.00 C ATOM 614 C THR A 48 -3.005 3.207 6.286 1.00 0.00 C ATOM 615 O THR A 48 -3.513 2.088 6.318 1.00 0.00 O ATOM 616 CB THR A 48 -0.463 3.479 6.358 1.00 0.00 C ATOM 617 OG1 THR A 48 -0.420 4.808 6.872 1.00 0.00 O ATOM 618 CG2 THR A 48 0.820 3.356 5.533 1.00 0.00 C ATOM 0 H THR A 48 -0.944 5.272 4.794 1.00 0.00 H new ATOM 0 HA THR A 48 -1.641 2.620 4.795 1.00 0.00 H new ATOM 0 HB THR A 48 -0.507 2.666 7.083 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.263 5.322 6.393 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.684 3.378 6.198 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.810 2.415 4.982 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.882 4.187 4.831 1.00 0.00 H new ATOM 626 N ASN A 49 -3.492 4.271 6.909 1.00 0.00 N ATOM 627 CA ASN A 49 -4.705 4.183 7.703 1.00 0.00 C ATOM 628 C ASN A 49 -5.823 3.575 6.853 1.00 0.00 C ATOM 629 O ASN A 49 -6.293 2.474 7.135 1.00 0.00 O ATOM 630 CB ASN A 49 -5.162 5.569 8.164 1.00 0.00 C ATOM 631 CG ASN A 49 -4.826 5.794 9.640 1.00 0.00 C ATOM 632 OD1 ASN A 49 -4.348 4.913 10.335 1.00 0.00 O ATOM 633 ND2 ASN A 49 -5.099 7.020 10.075 1.00 0.00 N ATOM 0 H ASN A 49 -3.068 5.198 6.879 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.494 3.564 8.575 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.680 6.335 7.557 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.237 5.671 8.012 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.908 7.271 11.045 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.499 7.710 9.439 1.00 0.00 H new ATOM 639 N ALA A 50 -6.216 4.319 5.830 1.00 0.00 N ATOM 640 CA ALA A 50 -7.269 3.867 4.936 1.00 0.00 C ATOM 641 C ALA A 50 -6.905 2.488 4.381 1.00 0.00 C ATOM 642 O ALA A 50 -7.745 1.592 4.334 1.00 0.00 O ATOM 643 CB ALA A 50 -7.481 4.903 3.831 1.00 0.00 C ATOM 0 H ALA A 50 -5.824 5.232 5.600 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.212 3.767 5.474 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.271 4.564 3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.767 5.856 4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.556 5.029 3.268 1.00 0.00 H new ATOM 649 N ALA A 51 -5.649 2.361 3.976 1.00 0.00 N ATOM 650 CA ALA A 51 -5.163 1.107 3.426 1.00 0.00 C ATOM 651 C ALA A 51 -5.457 -0.024 4.412 1.00 0.00 C ATOM 652 O ALA A 51 -6.110 -1.005 4.059 1.00 0.00 O ATOM 653 CB ALA A 51 -3.671 1.233 3.111 1.00 0.00 C ATOM 0 H ALA A 51 -4.954 3.106 4.018 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.675 0.872 2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.306 0.293 2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.519 2.031 2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.124 1.465 4.025 1.00 0.00 H new ATOM 659 N ILE A 52 -4.962 0.149 5.628 1.00 0.00 N ATOM 660 CA ILE A 52 -5.164 -0.846 6.668 1.00 0.00 C ATOM 661 C ILE A 52 -6.655 -1.167 6.777 1.00 0.00 C ATOM 662 O ILE A 52 -7.060 -2.318 6.622 1.00 0.00 O ATOM 663 CB ILE A 52 -4.536 -0.382 7.983 1.00 0.00 C ATOM 664 CG1 ILE A 52 -3.010 -0.338 7.878 1.00 0.00 C ATOM 665 CG2 ILE A 52 -5.004 -1.251 9.151 1.00 0.00 C ATOM 666 CD1 ILE A 52 -2.440 0.853 8.651 1.00 0.00 C ATOM 0 H ILE A 52 -4.421 0.964 5.917 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.656 -1.775 6.411 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.874 0.635 8.182 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.588 -1.264 8.268 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.716 -0.270 6.831 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.543 -0.899 10.074 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.088 -1.187 9.240 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.715 -2.287 8.973 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.354 0.860 8.559 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.845 1.779 8.243 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.715 0.770 9.702 1.00 0.00 H new ATOM 677 N TYR A 53 -7.434 -0.128 7.046 1.00 0.00 N ATOM 678 CA TYR A 53 -8.872 -0.285 7.178 1.00 0.00 C ATOM 679 C TYR A 53 -9.441 -1.119 6.030 1.00 0.00 C ATOM 680 O TYR A 53 -10.131 -2.112 6.261 1.00 0.00 O ATOM 681 CB TYR A 53 -9.458 1.127 7.107 1.00 0.00 C ATOM 682 CG TYR A 53 -10.987 1.169 7.162 1.00 0.00 C ATOM 683 CD1 TYR A 53 -11.655 0.586 8.219 1.00 0.00 C ATOM 684 CD2 TYR A 53 -11.696 1.791 6.155 1.00 0.00 C ATOM 685 CE1 TYR A 53 -13.094 0.626 8.271 1.00 0.00 C ATOM 686 CE2 TYR A 53 -13.135 1.831 6.207 1.00 0.00 C ATOM 687 CZ TYR A 53 -13.762 1.247 7.263 1.00 0.00 C ATOM 688 OH TYR A 53 -15.122 1.284 7.311 1.00 0.00 O ATOM 0 H TYR A 53 -7.095 0.825 7.176 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.118 -0.794 8.110 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.058 1.717 7.932 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.124 1.602 6.184 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.099 0.100 9.007 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.172 2.248 5.328 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.630 0.173 9.092 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.703 2.314 5.425 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.464 1.760 6.526 1.00 0.00 H new ATOM 697 N LYS A 54 -9.131 -0.686 4.816 1.00 0.00 N ATOM 698 CA LYS A 54 -9.604 -1.382 3.631 1.00 0.00 C ATOM 699 C LYS A 54 -9.129 -2.836 3.675 1.00 0.00 C ATOM 700 O LYS A 54 -9.943 -3.757 3.686 1.00 0.00 O ATOM 701 CB LYS A 54 -9.177 -0.633 2.366 1.00 0.00 C ATOM 702 CG LYS A 54 -10.228 0.401 1.960 1.00 0.00 C ATOM 703 CD LYS A 54 -9.953 0.938 0.554 1.00 0.00 C ATOM 704 CE LYS A 54 -10.602 2.310 0.356 1.00 0.00 C ATOM 705 NZ LYS A 54 -11.584 2.265 -0.751 1.00 0.00 N ATOM 0 H LYS A 54 -8.559 0.137 4.628 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.694 -1.403 3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.221 -0.137 2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.026 -1.343 1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.220 -0.050 1.993 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.228 1.224 2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.878 1.014 0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.338 0.239 -0.188 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.097 2.621 1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.835 3.054 0.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.015 3.204 -0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.103 1.989 -1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.325 1.570 -0.529 1.00 0.00 H new ATOM 715 N LEU A 55 -7.814 -2.996 3.698 1.00 0.00 N ATOM 716 CA LEU A 55 -7.222 -4.322 3.741 1.00 0.00 C ATOM 717 C LEU A 55 -7.997 -5.190 4.734 1.00 0.00 C ATOM 718 O LEU A 55 -8.555 -6.220 4.360 1.00 0.00 O ATOM 719 CB LEU A 55 -5.725 -4.230 4.041 1.00 0.00 C ATOM 720 CG LEU A 55 -4.877 -3.488 3.007 1.00 0.00 C ATOM 721 CD1 LEU A 55 -3.564 -3.001 3.623 1.00 0.00 C ATOM 722 CD2 LEU A 55 -4.642 -4.353 1.767 1.00 0.00 C ATOM 0 H LEU A 55 -7.142 -2.229 3.688 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.299 -4.806 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.598 -3.739 5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.333 -5.242 4.144 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.428 -2.605 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.980 -2.477 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.779 -2.324 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.996 -3.855 3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.036 -3.801 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.122 -5.267 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.600 -4.608 1.314 1.00 0.00 H new ATOM 733 N LYS A 56 -8.007 -4.741 5.981 1.00 0.00 N ATOM 734 CA LYS A 56 -8.704 -5.464 7.031 1.00 0.00 C ATOM 735 C LYS A 56 -10.064 -5.930 6.507 1.00 0.00 C ATOM 736 O LYS A 56 -10.329 -7.129 6.437 1.00 0.00 O ATOM 737 CB LYS A 56 -8.792 -4.614 8.299 1.00 0.00 C ATOM 738 CG LYS A 56 -7.461 -4.614 9.053 1.00 0.00 C ATOM 739 CD LYS A 56 -7.673 -4.908 10.540 1.00 0.00 C ATOM 740 CE LYS A 56 -7.766 -3.612 11.348 1.00 0.00 C ATOM 741 NZ LYS A 56 -9.096 -2.986 11.168 1.00 0.00 N ATOM 0 H LYS A 56 -7.544 -3.886 6.287 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.147 -6.358 7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.066 -3.592 8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.580 -5.000 8.946 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.795 -5.362 8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.973 -3.647 8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.585 -5.490 10.673 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.850 -5.516 10.915 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.595 -3.821 12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.986 -2.921 11.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.162 -2.135 11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.224 -2.723 10.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.838 -3.660 11.446 1.00 0.00 H new ATOM 751 N SER A 57 -10.890 -4.957 6.152 1.00 0.00 N ATOM 752 CA SER A 57 -12.216 -5.253 5.636 1.00 0.00 C ATOM 753 C SER A 57 -12.136 -6.367 4.592 1.00 0.00 C ATOM 754 O SER A 57 -12.764 -7.413 4.747 1.00 0.00 O ATOM 755 CB SER A 57 -12.862 -4.004 5.031 1.00 0.00 C ATOM 756 OG SER A 57 -13.963 -3.543 5.808 1.00 0.00 O ATOM 0 H SER A 57 -10.667 -3.963 6.211 1.00 0.00 H new ATOM 0 HA SER A 57 -12.839 -5.587 6.466 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.117 -3.212 4.953 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.200 -4.225 4.019 1.00 0.00 H new ATOM 0 HG SER A 57 -14.347 -2.744 5.390 1.00 0.00 H new ATOM 761 N SER A 58 -11.356 -6.107 3.553 1.00 0.00 N ATOM 762 CA SER A 58 -11.185 -7.075 2.483 1.00 0.00 C ATOM 763 C SER A 58 -10.947 -8.468 3.072 1.00 0.00 C ATOM 764 O SER A 58 -11.729 -9.387 2.835 1.00 0.00 O ATOM 765 CB SER A 58 -10.026 -6.683 1.565 1.00 0.00 C ATOM 766 OG SER A 58 -10.163 -7.245 0.263 1.00 0.00 O ATOM 0 H SER A 58 -10.835 -5.239 3.429 1.00 0.00 H new ATOM 0 HA SER A 58 -12.097 -7.089 1.886 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.976 -5.597 1.488 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.086 -7.015 2.006 1.00 0.00 H new ATOM 0 HG SER A 58 -9.405 -6.970 -0.293 1.00 0.00 H new ATOM 771 N GLN A 59 -9.865 -8.579 3.828 1.00 0.00 N ATOM 772 CA GLN A 59 -9.515 -9.844 4.453 1.00 0.00 C ATOM 773 C GLN A 59 -8.558 -9.610 5.623 1.00 0.00 C ATOM 774 O GLN A 59 -8.864 -9.968 6.760 1.00 0.00 O ATOM 775 CB GLN A 59 -8.908 -10.809 3.433 1.00 0.00 C ATOM 776 CG GLN A 59 -8.666 -12.184 4.057 1.00 0.00 C ATOM 777 CD GLN A 59 -7.380 -12.813 3.516 1.00 0.00 C ATOM 778 OE1 GLN A 59 -6.576 -12.175 2.856 1.00 0.00 O ATOM 779 NE2 GLN A 59 -7.230 -14.096 3.832 1.00 0.00 N ATOM 0 H GLN A 59 -9.219 -7.814 4.022 1.00 0.00 H new ATOM 0 HA GLN A 59 -10.426 -10.301 4.840 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.576 -10.906 2.577 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.967 -10.405 3.059 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.601 -12.089 5.141 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.512 -12.838 3.845 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.941 -14.571 4.388 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.404 -14.605 3.519 1.00 0.00 H new ATOM 786 N GLY A 60 -7.419 -9.012 5.306 1.00 0.00 N ATOM 787 CA GLY A 60 -6.417 -8.727 6.318 1.00 0.00 C ATOM 788 C GLY A 60 -5.917 -10.017 6.974 1.00 0.00 C ATOM 789 O GLY A 60 -6.636 -11.014 7.015 1.00 0.00 O ATOM 0 H GLY A 60 -7.168 -8.717 4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.579 -8.196 5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.839 -8.069 7.077 1.00 0.00 H new ATOM 793 N PHE A 61 -4.691 -9.953 7.471 1.00 0.00 N ATOM 794 CA PHE A 61 -4.088 -11.104 8.122 1.00 0.00 C ATOM 795 C PHE A 61 -4.820 -11.444 9.422 1.00 0.00 C ATOM 796 O PHE A 61 -5.586 -10.630 9.938 1.00 0.00 O ATOM 797 CB PHE A 61 -2.642 -10.725 8.450 1.00 0.00 C ATOM 798 CG PHE A 61 -1.682 -11.915 8.492 1.00 0.00 C ATOM 799 CD1 PHE A 61 -1.437 -12.632 7.363 1.00 0.00 C ATOM 800 CD2 PHE A 61 -1.072 -12.256 9.659 1.00 0.00 C ATOM 801 CE1 PHE A 61 -0.545 -13.736 7.403 1.00 0.00 C ATOM 802 CE2 PHE A 61 -0.181 -13.360 9.700 1.00 0.00 C ATOM 803 CZ PHE A 61 0.064 -14.077 8.570 1.00 0.00 C ATOM 0 H PHE A 61 -4.099 -9.123 7.436 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.143 -11.973 7.467 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.287 -10.011 7.707 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.620 -10.219 9.415 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.921 -12.362 6.436 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.266 -11.686 10.556 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.350 -14.305 6.506 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.302 -13.631 10.627 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.742 -14.917 8.600 1.00 0.00 H new ATOM 812 N SER A 62 -4.558 -12.646 9.914 1.00 0.00 N ATOM 813 CA SER A 62 -5.183 -13.103 11.144 1.00 0.00 C ATOM 814 C SER A 62 -4.178 -13.903 11.975 1.00 0.00 C ATOM 815 O SER A 62 -4.073 -15.120 11.826 1.00 0.00 O ATOM 816 CB SER A 62 -6.422 -13.950 10.850 1.00 0.00 C ATOM 817 OG SER A 62 -7.297 -14.024 11.973 1.00 0.00 O ATOM 0 H SER A 62 -3.922 -13.317 9.484 1.00 0.00 H new ATOM 0 HA SER A 62 -5.500 -12.229 11.712 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.958 -13.526 10.000 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.114 -14.956 10.563 1.00 0.00 H new ATOM 0 HG SER A 62 -8.077 -14.572 11.745 1.00 0.00 H new ATOM 822 N GLY A 63 -3.464 -13.188 12.831 1.00 0.00 N ATOM 823 CA GLY A 63 -2.471 -13.816 13.686 1.00 0.00 C ATOM 824 C GLY A 63 -1.439 -12.795 14.171 1.00 0.00 C ATOM 825 O GLY A 63 -0.462 -12.518 13.478 1.00 0.00 O ATOM 0 H GLY A 63 -3.553 -12.179 12.951 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.963 -14.276 14.543 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.969 -14.615 13.140 1.00 0.00 H new ATOM 829 N PRO A 64 -1.700 -12.249 15.389 1.00 0.00 N ATOM 830 CA PRO A 64 -0.805 -11.265 15.975 1.00 0.00 C ATOM 831 C PRO A 64 0.468 -11.927 16.505 1.00 0.00 C ATOM 832 O PRO A 64 0.401 -12.920 17.228 1.00 0.00 O ATOM 833 CB PRO A 64 -1.622 -10.591 17.065 1.00 0.00 C ATOM 834 CG PRO A 64 -2.779 -11.531 17.361 1.00 0.00 C ATOM 835 CD PRO A 64 -2.847 -12.554 16.239 1.00 0.00 C ATOM 0 HA PRO A 64 -0.452 -10.533 15.249 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.019 -10.422 17.957 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.984 -9.617 16.736 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.632 -12.026 18.321 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.714 -10.976 17.428 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.793 -13.571 16.627 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.783 -12.473 15.686 1.00 0.00 H new ATOM 840 N SER A 65 1.599 -11.352 16.124 1.00 0.00 N ATOM 841 CA SER A 65 2.886 -11.874 16.551 1.00 0.00 C ATOM 842 C SER A 65 3.091 -11.602 18.043 1.00 0.00 C ATOM 843 O SER A 65 3.269 -12.531 18.829 1.00 0.00 O ATOM 844 CB SER A 65 4.027 -11.261 15.737 1.00 0.00 C ATOM 845 OG SER A 65 5.289 -11.428 16.378 1.00 0.00 O ATOM 0 H SER A 65 1.651 -10.529 15.524 1.00 0.00 H new ATOM 0 HA SER A 65 2.893 -12.950 16.380 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.057 -11.723 14.750 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.835 -10.199 15.586 1.00 0.00 H new ATOM 0 HG SER A 65 5.992 -11.025 15.827 1.00 0.00 H new ATOM 850 N SER A 66 3.060 -10.323 18.389 1.00 0.00 N ATOM 851 CA SER A 66 3.240 -9.917 19.772 1.00 0.00 C ATOM 852 C SER A 66 4.660 -10.250 20.234 1.00 0.00 C ATOM 853 O SER A 66 5.198 -11.301 19.889 1.00 0.00 O ATOM 854 CB SER A 66 2.213 -10.593 20.683 1.00 0.00 C ATOM 855 OG SER A 66 1.584 -9.662 21.560 1.00 0.00 O ATOM 0 H SER A 66 2.913 -9.554 17.735 1.00 0.00 H new ATOM 0 HA SER A 66 3.087 -8.840 19.835 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.456 -11.085 20.073 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.704 -11.369 21.270 1.00 0.00 H new ATOM 0 HG SER A 66 0.934 -10.131 22.124 1.00 0.00 H new ATOM 860 N GLY A 67 5.227 -9.335 21.007 1.00 0.00 N ATOM 861 CA GLY A 67 6.573 -9.520 21.520 1.00 0.00 C ATOM 862 C GLY A 67 7.207 -8.177 21.891 1.00 0.00 C ATOM 863 O GLY A 67 6.511 -7.170 22.007 1.00 0.00 O ATOM 0 H GLY A 67 4.778 -8.464 21.290 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.546 -10.168 22.396 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.186 -10.021 20.771 1.00 0.00 H new TER 867 GLY A 67