USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 689 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 59 SER OG : rot 180:sc= 0.91 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 162:sc= 1.75 (180deg=0.689) USER MOD Set 2.1: A 30 SER OG : rot -111:sc= -0.118! USER MOD Set 2.2: A 80 ASN : amide:sc= 1.16 K(o=1,f=-1) USER MOD Single : A 22 HIS : no HD1:sc= -4.37! C(o=-4.4!,f=-5.5!) USER MOD Single : A 25 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.36) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0.138 (180deg=-0.14!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0456 (180deg=-0.336) USER MOD Single : A 46 LYS NZ :NH3+ 146:sc= 1.08 (180deg=-0.558) USER MOD Single : A 48 ASN :FLIP amide:sc= -1.14 F(o=-2.3!,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= -5.77! C(o=-5.8!,f=-7.4!) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.346 X(o=-0.35,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.828 F(o=-1.4!,f=-0.83) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 83 SER OG : rot 180:sc= 0.146 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.259 F(o=-1.8!,f=-0.26) USER MOD Single : A 88 THR OG1 : rot 10:sc= 0.637 USER MOD Single : A 93 ASN : amide:sc= -0.54 K(o=-0.54,f=-1.3) USER MOD Single : A 96 SER OG : rot 85:sc= 0.137 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 2.538 -11.814 -1.443 1.00 0.00 N ATOM 2 CA GLY A 15 3.253 -11.984 -2.696 1.00 0.00 C ATOM 3 C GLY A 15 4.638 -11.435 -2.611 1.00 0.00 C ATOM 4 O GLY A 15 5.356 -11.438 -3.584 1.00 0.00 O ATOM 0 HA2 GLY A 15 3.295 -13.043 -2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.710 -11.483 -3.497 1.00 0.00 H new ATOM 8 N LEU A 16 5.044 -11.001 -1.431 1.00 0.00 N ATOM 9 CA LEU A 16 6.288 -10.312 -1.290 1.00 0.00 C ATOM 10 C LEU A 16 6.841 -10.406 0.109 1.00 0.00 C ATOM 11 O LEU A 16 6.333 -11.160 0.933 1.00 0.00 O ATOM 12 CB LEU A 16 6.180 -8.831 -1.735 1.00 0.00 C ATOM 13 CG LEU A 16 4.929 -7.992 -1.386 1.00 0.00 C ATOM 14 CD1 LEU A 16 4.424 -8.232 0.014 1.00 0.00 C ATOM 15 CD2 LEU A 16 5.285 -6.535 -1.529 1.00 0.00 C ATOM 0 H LEU A 16 4.521 -11.120 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 16 6.990 -10.815 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.043 -8.308 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.286 -8.813 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 16 4.132 -8.289 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.545 -7.613 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.158 -9.283 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.203 -7.974 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.416 -5.923 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.101 -6.291 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.596 -6.335 -2.555 1.00 0.00 H new ATOM 27 N ARG A 17 7.864 -9.616 0.363 1.00 0.00 N ATOM 28 CA ARG A 17 8.523 -9.585 1.641 1.00 0.00 C ATOM 29 C ARG A 17 7.947 -8.492 2.501 1.00 0.00 C ATOM 30 O ARG A 17 7.904 -8.644 3.721 1.00 0.00 O ATOM 31 CB ARG A 17 10.028 -9.363 1.485 1.00 0.00 C ATOM 32 CG ARG A 17 10.733 -10.444 0.710 1.00 0.00 C ATOM 33 CD ARG A 17 12.209 -10.151 0.545 1.00 0.00 C ATOM 34 NE ARG A 17 12.920 -10.101 1.821 1.00 0.00 N ATOM 35 CZ ARG A 17 14.030 -9.383 2.040 1.00 0.00 C ATOM 36 NH1 ARG A 17 14.534 -8.619 1.077 1.00 0.00 N ATOM 37 NH2 ARG A 17 14.642 -9.453 3.202 1.00 0.00 N ATOM 0 H ARG A 17 8.261 -8.973 -0.322 1.00 0.00 H new ATOM 0 HA ARG A 17 8.360 -10.551 2.118 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.194 -8.408 0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.478 -9.289 2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.608 -11.398 1.222 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.271 -10.546 -0.272 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.659 -10.917 -0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.331 -9.199 0.028 1.00 0.00 H new ATOM 0 HE ARG A 17 12.547 -10.649 2.596 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.076 -8.577 0.167 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.379 -8.074 1.248 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.272 -10.054 3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.487 -8.906 3.367 1.00 0.00 H new ATOM 51 N GLU A 18 7.501 -7.368 1.882 1.00 0.00 N ATOM 52 CA GLU A 18 6.940 -6.269 2.728 1.00 0.00 C ATOM 53 C GLU A 18 6.158 -5.180 1.982 1.00 0.00 C ATOM 54 O GLU A 18 6.485 -4.862 0.833 1.00 0.00 O ATOM 55 CB GLU A 18 8.062 -5.568 3.511 1.00 0.00 C ATOM 56 CG GLU A 18 9.161 -4.915 2.692 1.00 0.00 C ATOM 57 CD GLU A 18 10.313 -4.412 3.525 1.00 0.00 C ATOM 58 OE1 GLU A 18 10.950 -5.218 4.225 1.00 0.00 O ATOM 59 OE2 GLU A 18 10.596 -3.210 3.483 1.00 0.00 O ATOM 0 H GLU A 18 7.512 -7.198 0.876 1.00 0.00 H new ATOM 0 HA GLU A 18 6.230 -6.784 3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.609 -4.804 4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.522 -6.300 4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.536 -5.634 1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.738 -4.082 2.130 1.00 0.00 H new ATOM 66 N ILE A 19 5.106 -4.611 2.654 1.00 0.00 N ATOM 67 CA ILE A 19 4.482 -3.363 2.167 1.00 0.00 C ATOM 68 C ILE A 19 4.554 -2.318 3.272 1.00 0.00 C ATOM 69 O ILE A 19 4.322 -2.611 4.481 1.00 0.00 O ATOM 70 CB ILE A 19 2.972 -3.471 1.641 1.00 0.00 C ATOM 71 CG1 ILE A 19 2.766 -2.644 0.385 1.00 0.00 C ATOM 72 CG2 ILE A 19 1.920 -2.992 2.663 1.00 0.00 C ATOM 73 CD1 ILE A 19 3.496 -3.155 -0.806 1.00 0.00 C ATOM 0 H ILE A 19 4.693 -4.992 3.505 1.00 0.00 H new ATOM 0 HA ILE A 19 5.057 -3.089 1.283 1.00 0.00 H new ATOM 0 HB ILE A 19 2.828 -4.535 1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.701 -2.609 0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.084 -1.620 0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.923 -3.096 2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.991 -3.596 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.102 -1.946 2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.296 -2.508 -1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.566 -3.164 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.161 -4.168 -1.031 1.00 0.00 H new ATOM 85 N ARG A 20 4.925 -1.158 2.888 1.00 0.00 N ATOM 86 CA ARG A 20 4.953 -0.019 3.751 1.00 0.00 C ATOM 87 C ARG A 20 4.123 1.066 3.128 1.00 0.00 C ATOM 88 O ARG A 20 4.538 1.683 2.133 1.00 0.00 O ATOM 89 CB ARG A 20 6.379 0.516 3.974 1.00 0.00 C ATOM 90 CG ARG A 20 7.213 -0.128 5.085 1.00 0.00 C ATOM 91 CD ARG A 20 7.532 -1.588 4.878 1.00 0.00 C ATOM 92 NE ARG A 20 8.500 -2.052 5.880 1.00 0.00 N ATOM 93 CZ ARG A 20 8.545 -3.281 6.404 1.00 0.00 C ATOM 94 NH1 ARG A 20 7.534 -4.134 6.202 1.00 0.00 N ATOM 95 NH2 ARG A 20 9.572 -3.642 7.153 1.00 0.00 N ATOM 0 H ARG A 20 5.230 -0.957 1.935 1.00 0.00 H new ATOM 0 HA ARG A 20 4.560 -0.322 4.721 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.928 0.410 3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.308 1.583 4.183 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.149 0.423 5.182 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.679 -0.018 6.029 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.618 -2.179 4.946 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.936 -1.739 3.877 1.00 0.00 H new ATOM 0 HE ARG A 20 9.196 -1.380 6.203 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.727 -3.847 5.647 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.570 -5.071 6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.330 -2.983 7.331 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.607 -4.580 7.553 1.00 0.00 H new ATOM 109 N ILE A 21 2.951 1.286 3.652 1.00 0.00 N ATOM 110 CA ILE A 21 2.139 2.357 3.151 1.00 0.00 C ATOM 111 C ILE A 21 2.696 3.578 3.745 1.00 0.00 C ATOM 112 O ILE A 21 2.937 3.618 4.926 1.00 0.00 O ATOM 113 CB ILE A 21 0.699 2.391 3.668 1.00 0.00 C ATOM 114 CG1 ILE A 21 0.237 1.112 4.342 1.00 0.00 C ATOM 115 CG2 ILE A 21 -0.263 2.822 2.564 1.00 0.00 C ATOM 116 CD1 ILE A 21 -1.066 1.305 5.079 1.00 0.00 C ATOM 0 H ILE A 21 2.541 0.747 4.415 1.00 0.00 H new ATOM 0 HA ILE A 21 2.134 2.250 2.066 1.00 0.00 H new ATOM 0 HB ILE A 21 0.691 3.139 4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.118 0.329 3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.002 0.772 5.040 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.281 2.839 2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.008 3.818 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.204 2.117 1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.362 0.366 5.547 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.940 2.069 5.846 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.838 1.619 4.377 1.00 0.00 H new ATOM 128 N HIS A 22 2.926 4.522 2.986 1.00 0.00 N ATOM 129 CA HIS A 22 3.278 5.771 3.516 1.00 0.00 C ATOM 130 C HIS A 22 1.988 6.513 3.572 1.00 0.00 C ATOM 131 O HIS A 22 1.335 6.705 2.546 1.00 0.00 O ATOM 132 CB HIS A 22 4.338 6.449 2.632 1.00 0.00 C ATOM 133 CG HIS A 22 5.594 5.619 2.540 1.00 0.00 C ATOM 134 ND1 HIS A 22 6.332 5.434 1.385 1.00 0.00 N ATOM 135 CD2 HIS A 22 6.227 4.897 3.491 1.00 0.00 C ATOM 136 CE1 HIS A 22 7.342 4.630 1.652 1.00 0.00 C ATOM 137 NE2 HIS A 22 7.295 4.301 2.908 1.00 0.00 N ATOM 0 H HIS A 22 2.882 4.477 1.968 1.00 0.00 H new ATOM 0 HA HIS A 22 3.739 5.719 4.502 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.932 6.609 1.633 1.00 0.00 H new ATOM 0 HB3 HIS A 22 4.579 7.431 3.039 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.935 4.811 4.527 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.086 4.299 0.943 1.00 0.00 H new ATOM 0 HE2 HIS A 22 7.959 3.689 3.382 1.00 0.00 H new ATOM 146 N LEU A 23 1.609 6.883 4.750 1.00 0.00 N ATOM 147 CA LEU A 23 0.328 7.441 4.990 1.00 0.00 C ATOM 148 C LEU A 23 0.411 8.603 5.930 1.00 0.00 C ATOM 149 O LEU A 23 1.055 8.515 6.976 1.00 0.00 O ATOM 150 CB LEU A 23 -0.572 6.400 5.636 1.00 0.00 C ATOM 151 CG LEU A 23 -1.936 6.919 6.077 1.00 0.00 C ATOM 152 CD1 LEU A 23 -2.806 7.295 4.886 1.00 0.00 C ATOM 153 CD2 LEU A 23 -2.614 5.929 6.981 1.00 0.00 C ATOM 0 H LEU A 23 2.192 6.803 5.583 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.071 7.769 4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.721 5.581 4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.059 5.985 6.504 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.780 7.834 6.649 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.770 7.660 5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.313 8.076 4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.959 6.419 4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.586 6.319 7.284 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.751 4.986 6.451 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.998 5.762 7.865 1.00 0.00 H new ATOM 165 N CYS A 24 -0.232 9.670 5.570 1.00 0.00 N ATOM 166 CA CYS A 24 -0.372 10.815 6.422 1.00 0.00 C ATOM 167 C CYS A 24 -1.613 11.568 6.013 1.00 0.00 C ATOM 168 O CYS A 24 -2.191 11.326 4.946 1.00 0.00 O ATOM 169 CB CYS A 24 0.767 11.817 6.231 1.00 0.00 C ATOM 170 SG CYS A 24 2.454 11.197 6.256 1.00 0.00 S ATOM 0 H CYS A 24 -0.683 9.774 4.661 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.392 10.446 7.447 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.611 12.321 5.277 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.679 12.574 7.010 1.00 0.00 H new ATOM 175 N GLN A 25 -2.017 12.449 6.858 1.00 0.00 N ATOM 176 CA GLN A 25 -2.937 13.475 6.522 1.00 0.00 C ATOM 177 C GLN A 25 -2.065 14.714 6.661 1.00 0.00 C ATOM 178 O GLN A 25 -1.970 15.308 7.731 1.00 0.00 O ATOM 179 CB GLN A 25 -4.146 13.470 7.496 1.00 0.00 C ATOM 180 CG GLN A 25 -5.348 14.375 7.135 1.00 0.00 C ATOM 181 CD GLN A 25 -5.036 15.862 7.143 1.00 0.00 C ATOM 182 OE1 GLN A 25 -5.125 16.519 8.190 1.00 0.00 O ATOM 183 NE2 GLN A 25 -4.749 16.412 5.994 1.00 0.00 N ATOM 0 H GLN A 25 -1.707 12.476 7.829 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.394 13.384 5.537 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.508 12.445 7.580 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.787 13.763 8.482 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.713 14.098 6.146 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.158 14.182 7.839 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.685 15.836 5.155 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.589 17.418 5.936 1.00 0.00 H new ATOM 192 N ARG A 26 -1.304 14.980 5.617 1.00 0.00 N ATOM 193 CA ARG A 26 -0.280 16.000 5.669 1.00 0.00 C ATOM 194 C ARG A 26 -0.221 16.713 4.332 1.00 0.00 C ATOM 195 O ARG A 26 -0.683 17.834 4.211 1.00 0.00 O ATOM 196 CB ARG A 26 1.060 15.330 6.000 1.00 0.00 C ATOM 197 CG ARG A 26 2.195 16.256 6.381 1.00 0.00 C ATOM 198 CD ARG A 26 3.439 15.441 6.689 1.00 0.00 C ATOM 199 NE ARG A 26 4.531 16.249 7.225 1.00 0.00 N ATOM 200 CZ ARG A 26 5.743 16.353 6.687 1.00 0.00 C ATOM 201 NH1 ARG A 26 5.982 15.867 5.479 1.00 0.00 N ATOM 202 NH2 ARG A 26 6.706 16.991 7.350 1.00 0.00 N ATOM 0 H ARG A 26 -1.378 14.500 4.720 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.504 16.738 6.440 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.899 14.630 6.820 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.372 14.743 5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.397 16.953 5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.915 16.852 7.249 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.187 14.659 7.406 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.775 14.943 5.780 1.00 0.00 H new ATOM 0 HE ARG A 26 4.350 16.775 8.080 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.235 15.410 4.956 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.913 15.949 5.071 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.512 17.397 8.266 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.637 17.074 6.942 1.00 0.00 H new ATOM 216 N SER A 27 0.319 16.062 3.320 1.00 0.00 N ATOM 217 CA SER A 27 0.309 16.641 2.000 1.00 0.00 C ATOM 218 C SER A 27 -0.810 15.938 1.211 1.00 0.00 C ATOM 219 O SER A 27 -1.432 15.039 1.796 1.00 0.00 O ATOM 220 CB SER A 27 1.677 16.440 1.362 1.00 0.00 C ATOM 221 OG SER A 27 2.717 16.973 2.191 1.00 0.00 O ATOM 0 H SER A 27 0.763 15.146 3.388 1.00 0.00 H new ATOM 0 HA SER A 27 0.116 17.714 2.017 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.851 15.377 1.194 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.701 16.925 0.386 1.00 0.00 H new ATOM 0 HG SER A 27 3.585 16.830 1.760 1.00 0.00 H new ATOM 227 N PRO A 28 -1.123 16.372 -0.077 1.00 0.00 N ATOM 228 CA PRO A 28 -2.138 15.751 -0.958 1.00 0.00 C ATOM 229 C PRO A 28 -2.404 14.262 -0.684 1.00 0.00 C ATOM 230 O PRO A 28 -1.637 13.378 -1.084 1.00 0.00 O ATOM 231 CB PRO A 28 -1.517 15.962 -2.331 1.00 0.00 C ATOM 232 CG PRO A 28 -0.910 17.326 -2.235 1.00 0.00 C ATOM 233 CD PRO A 28 -0.537 17.543 -0.775 1.00 0.00 C ATOM 0 HA PRO A 28 -3.125 16.191 -0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.766 15.203 -2.553 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.265 15.911 -3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.030 17.403 -2.874 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.615 18.087 -2.571 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.544 17.587 -0.642 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.944 18.480 -0.394 1.00 0.00 H new ATOM 241 N GLY A 29 -3.458 14.013 0.062 1.00 0.00 N ATOM 242 CA GLY A 29 -3.791 12.683 0.458 1.00 0.00 C ATOM 243 C GLY A 29 -4.819 12.048 -0.428 1.00 0.00 C ATOM 244 O GLY A 29 -5.380 12.702 -1.311 1.00 0.00 O ATOM 0 H GLY A 29 -4.098 14.730 0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.888 12.072 0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.162 12.697 1.483 1.00 0.00 H new ATOM 248 N SER A 30 -5.116 10.806 -0.161 1.00 0.00 N ATOM 249 CA SER A 30 -6.029 10.075 -0.961 1.00 0.00 C ATOM 250 C SER A 30 -7.164 9.509 -0.135 1.00 0.00 C ATOM 251 O SER A 30 -6.981 8.966 0.969 1.00 0.00 O ATOM 252 CB SER A 30 -5.329 8.987 -1.749 1.00 0.00 C ATOM 253 OG SER A 30 -4.396 9.528 -2.644 1.00 0.00 O ATOM 0 H SER A 30 -4.725 10.281 0.621 1.00 0.00 H new ATOM 0 HA SER A 30 -6.461 10.774 -1.677 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.826 8.305 -1.064 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.066 8.401 -2.298 1.00 0.00 H new ATOM 0 HG SER A 30 -4.706 9.389 -3.563 1.00 0.00 H new ATOM 259 N GLN A 31 -8.296 9.575 -0.709 1.00 0.00 N ATOM 260 CA GLN A 31 -9.531 9.184 -0.079 1.00 0.00 C ATOM 261 C GLN A 31 -9.703 7.709 -0.257 1.00 0.00 C ATOM 262 O GLN A 31 -10.188 7.006 0.633 1.00 0.00 O ATOM 263 CB GLN A 31 -10.700 9.977 -0.685 1.00 0.00 C ATOM 264 CG GLN A 31 -10.823 9.820 -2.206 1.00 0.00 C ATOM 265 CD GLN A 31 -11.881 10.694 -2.833 1.00 0.00 C ATOM 266 OE1 GLN A 31 -12.890 11.021 -2.218 1.00 0.00 O ATOM 267 NE2 GLN A 31 -11.668 11.069 -4.064 1.00 0.00 N ATOM 0 H GLN A 31 -8.415 9.912 -1.664 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.511 9.407 0.988 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.630 9.652 -0.218 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.575 11.033 -0.446 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.860 10.049 -2.663 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.045 8.778 -2.436 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.817 10.778 -4.546 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.352 11.653 -4.545 1.00 0.00 H new ATOM 276 N GLY A 32 -9.238 7.236 -1.393 1.00 0.00 N ATOM 277 CA GLY A 32 -9.255 5.863 -1.665 1.00 0.00 C ATOM 278 C GLY A 32 -8.235 5.176 -0.833 1.00 0.00 C ATOM 279 O GLY A 32 -8.423 4.025 -0.440 1.00 0.00 O ATOM 0 H GLY A 32 -8.844 7.813 -2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.244 5.453 -1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.053 5.689 -2.722 1.00 0.00 H new ATOM 283 N VAL A 33 -7.151 5.888 -0.501 1.00 0.00 N ATOM 284 CA VAL A 33 -6.177 5.247 0.346 1.00 0.00 C ATOM 285 C VAL A 33 -6.714 5.153 1.741 1.00 0.00 C ATOM 286 O VAL A 33 -6.630 4.127 2.312 1.00 0.00 O ATOM 287 CB VAL A 33 -4.705 5.782 0.304 1.00 0.00 C ATOM 288 CG1 VAL A 33 -4.184 5.816 -1.108 1.00 0.00 C ATOM 289 CG2 VAL A 33 -4.502 7.114 1.015 1.00 0.00 C ATOM 0 H VAL A 33 -6.945 6.844 -0.790 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.047 4.256 -0.088 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.113 5.067 0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.161 6.191 -1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.202 4.810 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.811 6.472 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.456 7.412 0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.131 7.874 0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.774 7.011 2.066 1.00 0.00 H new ATOM 299 N ARG A 34 -7.308 6.249 2.255 1.00 0.00 N ATOM 300 CA ARG A 34 -8.022 6.262 3.548 1.00 0.00 C ATOM 301 C ARG A 34 -8.934 5.065 3.644 1.00 0.00 C ATOM 302 O ARG A 34 -8.910 4.331 4.616 1.00 0.00 O ATOM 303 CB ARG A 34 -8.896 7.491 3.657 1.00 0.00 C ATOM 304 CG ARG A 34 -9.442 7.713 5.065 1.00 0.00 C ATOM 305 CD ARG A 34 -10.352 8.921 5.149 1.00 0.00 C ATOM 306 NE ARG A 34 -10.902 9.097 6.510 1.00 0.00 N ATOM 307 CZ ARG A 34 -11.823 10.011 6.865 1.00 0.00 C ATOM 308 NH1 ARG A 34 -12.346 10.825 5.957 1.00 0.00 N ATOM 309 NH2 ARG A 34 -12.256 10.061 8.122 1.00 0.00 N ATOM 0 H ARG A 34 -7.306 7.153 1.783 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.273 6.251 4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.321 8.366 3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.729 7.400 2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.990 6.826 5.383 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.610 7.839 5.758 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.798 9.815 4.862 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.170 8.811 4.437 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.555 8.474 7.240 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.050 10.760 4.983 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.044 11.516 6.233 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.890 9.407 8.814 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.954 10.753 8.394 1.00 0.00 H new ATOM 323 N ASP A 35 -9.737 4.877 2.614 1.00 0.00 N ATOM 324 CA ASP A 35 -10.630 3.706 2.538 1.00 0.00 C ATOM 325 C ASP A 35 -9.895 2.450 2.639 1.00 0.00 C ATOM 326 O ASP A 35 -10.317 1.565 3.325 1.00 0.00 O ATOM 327 CB ASP A 35 -11.499 3.668 1.311 1.00 0.00 C ATOM 328 CG ASP A 35 -12.854 4.259 1.568 1.00 0.00 C ATOM 329 OD1 ASP A 35 -13.411 4.036 2.684 1.00 0.00 O ATOM 330 OD2 ASP A 35 -13.402 4.942 0.682 1.00 0.00 O ATOM 0 H ASP A 35 -9.799 5.509 1.816 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.289 3.820 3.399 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.012 4.214 0.504 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.610 2.637 0.976 1.00 0.00 H new ATOM 335 N PHE A 36 -8.822 2.361 1.960 1.00 0.00 N ATOM 336 CA PHE A 36 -7.954 1.244 2.091 1.00 0.00 C ATOM 337 C PHE A 36 -7.551 1.095 3.553 1.00 0.00 C ATOM 338 O PHE A 36 -7.971 0.171 4.201 1.00 0.00 O ATOM 339 CB PHE A 36 -6.787 1.387 1.067 1.00 0.00 C ATOM 340 CG PHE A 36 -5.411 0.769 1.357 1.00 0.00 C ATOM 341 CD1 PHE A 36 -4.631 1.203 2.416 1.00 0.00 C ATOM 342 CD2 PHE A 36 -4.886 -0.203 0.526 1.00 0.00 C ATOM 343 CE1 PHE A 36 -3.379 0.672 2.637 1.00 0.00 C ATOM 344 CE2 PHE A 36 -3.629 -0.727 0.737 1.00 0.00 C ATOM 345 CZ PHE A 36 -2.874 -0.289 1.796 1.00 0.00 C ATOM 0 H PHE A 36 -8.510 3.063 1.289 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.439 0.302 1.837 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.135 0.967 0.123 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.632 2.454 0.904 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.009 1.968 3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.474 -0.560 -0.307 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.791 1.013 3.476 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.239 -1.481 0.070 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.889 -0.697 1.967 1.00 0.00 H new ATOM 355 N ILE A 37 -6.942 2.116 4.062 1.00 0.00 N ATOM 356 CA ILE A 37 -6.352 2.171 5.417 1.00 0.00 C ATOM 357 C ILE A 37 -7.404 1.795 6.502 1.00 0.00 C ATOM 358 O ILE A 37 -7.091 1.207 7.533 1.00 0.00 O ATOM 359 CB ILE A 37 -5.904 3.624 5.819 1.00 0.00 C ATOM 360 CG1 ILE A 37 -5.175 4.482 4.736 1.00 0.00 C ATOM 361 CG2 ILE A 37 -5.106 3.617 7.108 1.00 0.00 C ATOM 362 CD1 ILE A 37 -3.915 3.915 4.148 1.00 0.00 C ATOM 0 H ILE A 37 -6.821 2.987 3.545 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.508 1.482 5.378 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.858 4.135 5.952 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.876 4.665 3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.937 5.451 5.176 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.811 4.636 7.359 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.717 3.208 7.912 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.215 3.002 6.981 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.512 4.610 3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.182 3.760 4.939 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.135 2.963 3.666 1.00 0.00 H new ATOM 374 N GLU A 38 -8.618 2.181 6.254 1.00 0.00 N ATOM 375 CA GLU A 38 -9.674 2.157 7.231 1.00 0.00 C ATOM 376 C GLU A 38 -10.644 1.048 6.984 1.00 0.00 C ATOM 377 O GLU A 38 -10.793 0.115 7.769 1.00 0.00 O ATOM 378 CB GLU A 38 -10.396 3.509 7.168 1.00 0.00 C ATOM 379 CG GLU A 38 -11.735 3.565 7.854 1.00 0.00 C ATOM 380 CD GLU A 38 -12.420 4.862 7.615 1.00 0.00 C ATOM 381 OE1 GLU A 38 -13.168 4.973 6.623 1.00 0.00 O ATOM 382 OE2 GLU A 38 -12.226 5.808 8.401 1.00 0.00 O ATOM 0 H GLU A 38 -8.914 2.532 5.343 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.244 1.984 8.217 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.749 4.267 7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.533 3.779 6.121 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.363 2.750 7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.602 3.416 8.925 1.00 0.00 H new ATOM 389 N LYS A 39 -11.251 1.148 5.846 1.00 0.00 N ATOM 390 CA LYS A 39 -12.370 0.358 5.470 1.00 0.00 C ATOM 391 C LYS A 39 -11.903 -0.965 4.957 1.00 0.00 C ATOM 392 O LYS A 39 -12.581 -1.973 5.102 1.00 0.00 O ATOM 393 CB LYS A 39 -13.087 1.089 4.324 1.00 0.00 C ATOM 394 CG LYS A 39 -14.515 0.645 4.071 1.00 0.00 C ATOM 395 CD LYS A 39 -15.465 1.154 5.165 1.00 0.00 C ATOM 396 CE LYS A 39 -15.945 2.618 4.944 1.00 0.00 C ATOM 397 NZ LYS A 39 -14.864 3.645 4.886 1.00 0.00 N ATOM 0 H LYS A 39 -10.966 1.811 5.126 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.028 0.206 6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.088 2.157 4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.512 0.949 3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.845 1.014 3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.557 -0.443 4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.335 0.499 5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.963 1.087 6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.512 2.660 4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.631 2.883 5.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.288 4.592 4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.281 3.584 5.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.268 3.475 4.051 1.00 0.00 H new ATOM 411 N ARG A 40 -10.732 -0.973 4.378 1.00 0.00 N ATOM 412 CA ARG A 40 -10.307 -2.110 3.682 1.00 0.00 C ATOM 413 C ARG A 40 -9.144 -2.774 4.386 1.00 0.00 C ATOM 414 O ARG A 40 -8.800 -3.862 4.055 1.00 0.00 O ATOM 415 CB ARG A 40 -9.904 -1.661 2.294 1.00 0.00 C ATOM 416 CG ARG A 40 -9.700 -2.756 1.319 1.00 0.00 C ATOM 417 CD ARG A 40 -11.005 -3.407 0.938 1.00 0.00 C ATOM 418 NE ARG A 40 -10.835 -4.288 -0.206 1.00 0.00 N ATOM 419 CZ ARG A 40 -11.398 -4.090 -1.395 1.00 0.00 C ATOM 420 NH1 ARG A 40 -12.215 -3.047 -1.601 1.00 0.00 N ATOM 421 NH2 ARG A 40 -11.145 -4.922 -2.379 1.00 0.00 N ATOM 0 H ARG A 40 -10.072 -0.196 4.387 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.110 -2.846 3.632 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.671 -0.989 1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.982 -1.084 2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.214 -2.363 0.426 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.030 -3.503 1.744 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.393 -3.975 1.784 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.743 -2.640 0.704 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.245 -5.112 -0.089 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.411 -2.395 -0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.641 -2.906 -2.517 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.520 -5.714 -2.229 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.573 -4.776 -3.293 1.00 0.00 H new ATOM 435 N TYR A 41 -8.536 -2.070 5.334 1.00 0.00 N ATOM 436 CA TYR A 41 -7.334 -2.544 6.098 1.00 0.00 C ATOM 437 C TYR A 41 -7.299 -4.031 6.394 1.00 0.00 C ATOM 438 O TYR A 41 -6.437 -4.744 5.899 1.00 0.00 O ATOM 439 CB TYR A 41 -7.208 -1.788 7.402 1.00 0.00 C ATOM 440 CG TYR A 41 -5.985 -2.153 8.212 1.00 0.00 C ATOM 441 CD1 TYR A 41 -4.728 -1.654 7.904 1.00 0.00 C ATOM 442 CD2 TYR A 41 -6.099 -3.026 9.276 1.00 0.00 C ATOM 443 CE1 TYR A 41 -3.620 -2.029 8.642 1.00 0.00 C ATOM 444 CE2 TYR A 41 -5.020 -3.398 10.013 1.00 0.00 C ATOM 445 CZ TYR A 41 -3.775 -2.906 9.699 1.00 0.00 C ATOM 446 OH TYR A 41 -2.676 -3.300 10.443 1.00 0.00 O ATOM 0 H TYR A 41 -8.849 -1.141 5.615 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.493 -2.344 5.434 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.184 -0.719 7.189 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.098 -1.973 8.004 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.613 -0.966 7.080 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.071 -3.423 9.529 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.643 -1.640 8.395 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.140 -4.078 10.843 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.963 -3.917 11.148 1.00 0.00 H new ATOM 456 N VAL A 42 -8.195 -4.464 7.207 1.00 0.00 N ATOM 457 CA VAL A 42 -8.276 -5.842 7.613 1.00 0.00 C ATOM 458 C VAL A 42 -8.440 -6.777 6.394 1.00 0.00 C ATOM 459 O VAL A 42 -7.807 -7.829 6.318 1.00 0.00 O ATOM 460 CB VAL A 42 -9.378 -5.988 8.682 1.00 0.00 C ATOM 461 CG1 VAL A 42 -10.578 -5.145 8.302 1.00 0.00 C ATOM 462 CG2 VAL A 42 -9.759 -7.444 8.927 1.00 0.00 C ATOM 0 H VAL A 42 -8.911 -3.868 7.623 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.341 -6.158 8.075 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.982 -5.621 9.629 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.353 -5.252 9.061 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.280 -4.099 8.233 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.965 -5.477 7.339 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.538 -7.493 9.688 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.128 -7.884 8.001 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.884 -7.997 9.268 1.00 0.00 H new ATOM 472 N GLU A 43 -9.200 -6.330 5.415 1.00 0.00 N ATOM 473 CA GLU A 43 -9.349 -7.039 4.162 1.00 0.00 C ATOM 474 C GLU A 43 -8.022 -7.031 3.410 1.00 0.00 C ATOM 475 O GLU A 43 -7.637 -8.015 2.949 1.00 0.00 O ATOM 476 CB GLU A 43 -10.443 -6.383 3.304 1.00 0.00 C ATOM 477 CG GLU A 43 -10.644 -6.985 1.912 1.00 0.00 C ATOM 478 CD GLU A 43 -11.260 -8.350 1.939 1.00 0.00 C ATOM 479 OE1 GLU A 43 -12.490 -8.437 2.068 1.00 0.00 O ATOM 480 OE2 GLU A 43 -10.545 -9.359 1.831 1.00 0.00 O ATOM 0 H GLU A 43 -9.733 -5.462 5.467 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.641 -8.069 4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.387 -6.442 3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.205 -5.325 3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.277 -6.320 1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.681 -7.039 1.405 1.00 0.00 H new ATOM 487 N LEU A 44 -7.284 -5.929 3.369 1.00 0.00 N ATOM 488 CA LEU A 44 -6.065 -5.915 2.563 1.00 0.00 C ATOM 489 C LEU A 44 -4.952 -6.680 3.235 1.00 0.00 C ATOM 490 O LEU A 44 -4.013 -7.130 2.592 1.00 0.00 O ATOM 491 CB LEU A 44 -5.692 -4.488 2.155 1.00 0.00 C ATOM 492 CG LEU A 44 -5.390 -3.501 3.257 1.00 0.00 C ATOM 493 CD1 LEU A 44 -3.923 -3.396 3.498 1.00 0.00 C ATOM 494 CD2 LEU A 44 -5.980 -2.170 2.950 1.00 0.00 C ATOM 0 H LEU A 44 -7.494 -5.062 3.863 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.253 -6.446 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.819 -4.542 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.510 -4.085 1.558 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.849 -3.870 4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.736 -2.678 4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.531 -4.371 3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.428 -3.062 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.750 -1.475 3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.562 -1.793 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.061 -2.265 2.851 1.00 0.00 H new ATOM 506 N LYS A 45 -5.109 -6.864 4.517 1.00 0.00 N ATOM 507 CA LYS A 45 -4.205 -7.649 5.300 1.00 0.00 C ATOM 508 C LYS A 45 -4.548 -9.141 5.162 1.00 0.00 C ATOM 509 O LYS A 45 -3.666 -10.006 5.197 1.00 0.00 O ATOM 510 CB LYS A 45 -4.304 -7.216 6.766 1.00 0.00 C ATOM 511 CG LYS A 45 -3.364 -7.944 7.695 1.00 0.00 C ATOM 512 CD LYS A 45 -3.503 -7.458 9.116 1.00 0.00 C ATOM 513 CE LYS A 45 -2.515 -8.155 10.028 1.00 0.00 C ATOM 514 NZ LYS A 45 -1.105 -7.883 9.645 1.00 0.00 N ATOM 0 H LYS A 45 -5.881 -6.466 5.052 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.186 -7.495 4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.104 -6.147 6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.327 -7.370 7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.567 -9.014 7.654 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.337 -7.801 7.360 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.340 -6.381 9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.519 -7.639 9.468 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.680 -7.829 11.055 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.695 -9.230 10.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.475 -8.143 10.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.859 -8.444 8.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.992 -6.871 9.431 1.00 0.00 H new ATOM 528 N LYS A 46 -5.829 -9.436 5.013 1.00 0.00 N ATOM 529 CA LYS A 46 -6.274 -10.813 4.928 1.00 0.00 C ATOM 530 C LYS A 46 -6.359 -11.285 3.486 1.00 0.00 C ATOM 531 O LYS A 46 -6.141 -12.468 3.197 1.00 0.00 O ATOM 532 CB LYS A 46 -7.643 -10.967 5.591 1.00 0.00 C ATOM 533 CG LYS A 46 -8.842 -10.538 4.745 1.00 0.00 C ATOM 534 CD LYS A 46 -10.087 -10.445 5.617 1.00 0.00 C ATOM 535 CE LYS A 46 -11.335 -10.181 4.810 1.00 0.00 C ATOM 536 NZ LYS A 46 -11.472 -11.121 3.672 1.00 0.00 N ATOM 0 H LYS A 46 -6.574 -8.743 4.949 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.539 -11.427 5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.775 -12.012 5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.647 -10.387 6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.642 -9.574 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.004 -11.254 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.207 -11.374 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.956 -9.649 6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.209 -10.265 5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.314 -9.158 4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.479 -11.325 3.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.063 -10.693 2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.970 -12.006 3.890 1.00 0.00 H new ATOM 550 N ALA A 47 -6.685 -10.362 2.586 1.00 0.00 N ATOM 551 CA ALA A 47 -6.916 -10.678 1.209 1.00 0.00 C ATOM 552 C ALA A 47 -5.617 -10.976 0.548 1.00 0.00 C ATOM 553 O ALA A 47 -5.527 -11.773 -0.382 1.00 0.00 O ATOM 554 CB ALA A 47 -7.591 -9.544 0.456 1.00 0.00 C ATOM 0 H ALA A 47 -6.793 -9.372 2.808 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.581 -11.541 1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.743 -9.837 -0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.555 -9.325 0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.961 -8.656 0.494 1.00 0.00 H new ATOM 560 N ASN A 48 -4.603 -10.321 1.061 1.00 0.00 N ATOM 561 CA ASN A 48 -3.280 -10.444 0.624 1.00 0.00 C ATOM 562 C ASN A 48 -2.534 -10.882 1.887 1.00 0.00 C ATOM 563 O ASN A 48 -1.986 -10.081 2.605 1.00 0.00 O ATOM 564 CB ASN A 48 -2.726 -9.086 0.072 1.00 0.00 C ATOM 565 CG ASN A 48 -3.582 -8.420 -1.046 1.00 0.00 C ATOM 566 OD1 ASN A 48 -3.488 -7.082 -1.219 1.00 0.00 O flip ATOM 567 ND2 ASN A 48 -4.290 -9.096 -1.773 1.00 0.00 N flip ATOM 0 H ASN A 48 -4.710 -9.661 1.832 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.170 -11.147 -0.202 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.635 -8.386 0.902 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.721 -9.254 -0.315 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.351 -10.104 -1.631 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.821 -8.653 -2.523 1.00 0.00 H new ATOM 574 N PRO A 49 -2.641 -12.172 2.219 1.00 0.00 N ATOM 575 CA PRO A 49 -2.145 -12.744 3.495 1.00 0.00 C ATOM 576 C PRO A 49 -0.659 -12.652 3.609 1.00 0.00 C ATOM 577 O PRO A 49 -0.094 -12.300 4.652 1.00 0.00 O ATOM 578 CB PRO A 49 -2.581 -14.206 3.396 1.00 0.00 C ATOM 579 CG PRO A 49 -2.698 -14.442 1.938 1.00 0.00 C ATOM 580 CD PRO A 49 -3.265 -13.187 1.384 1.00 0.00 C ATOM 0 HA PRO A 49 -2.532 -12.220 4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.850 -14.873 3.852 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.529 -14.376 3.906 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.727 -14.664 1.496 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.346 -15.293 1.728 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.015 -13.058 0.331 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.352 -13.164 1.459 1.00 0.00 H new ATOM 588 N ASP A 50 -0.052 -12.938 2.517 1.00 0.00 N ATOM 589 CA ASP A 50 1.389 -12.887 2.347 1.00 0.00 C ATOM 590 C ASP A 50 1.808 -11.450 1.977 1.00 0.00 C ATOM 591 O ASP A 50 2.792 -11.202 1.273 1.00 0.00 O ATOM 592 CB ASP A 50 1.789 -13.887 1.253 1.00 0.00 C ATOM 593 CG ASP A 50 3.285 -14.047 1.082 1.00 0.00 C ATOM 594 OD1 ASP A 50 3.917 -14.736 1.898 1.00 0.00 O ATOM 595 OD2 ASP A 50 3.843 -13.494 0.113 1.00 0.00 O ATOM 0 H ASP A 50 -0.546 -13.227 1.673 1.00 0.00 H new ATOM 0 HA ASP A 50 1.898 -13.159 3.272 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.354 -14.859 1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.358 -13.565 0.305 1.00 0.00 H new ATOM 600 N LEU A 51 1.059 -10.507 2.440 1.00 0.00 N ATOM 601 CA LEU A 51 1.373 -9.154 2.214 1.00 0.00 C ATOM 602 C LEU A 51 1.509 -8.470 3.590 1.00 0.00 C ATOM 603 O LEU A 51 0.517 -8.288 4.289 1.00 0.00 O ATOM 604 CB LEU A 51 0.251 -8.482 1.382 1.00 0.00 C ATOM 605 CG LEU A 51 0.594 -7.202 0.592 1.00 0.00 C ATOM 606 CD1 LEU A 51 -0.641 -6.434 0.193 1.00 0.00 C ATOM 607 CD2 LEU A 51 1.566 -6.317 1.295 1.00 0.00 C ATOM 0 H LEU A 51 0.212 -10.662 2.986 1.00 0.00 H new ATOM 0 HA LEU A 51 2.304 -9.062 1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.125 -9.220 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.569 -8.245 2.060 1.00 0.00 H new ATOM 0 HG LEU A 51 1.086 -7.547 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.351 -5.541 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.273 -7.062 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.193 -6.143 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.763 -5.436 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.150 -6.009 2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.497 -6.859 1.461 1.00 0.00 H new ATOM 619 N PRO A 52 2.742 -8.211 4.040 1.00 0.00 N ATOM 620 CA PRO A 52 3.003 -7.390 5.228 1.00 0.00 C ATOM 621 C PRO A 52 2.417 -6.046 5.096 1.00 0.00 C ATOM 622 O PRO A 52 2.817 -5.298 4.232 1.00 0.00 O ATOM 623 CB PRO A 52 4.467 -7.187 5.172 1.00 0.00 C ATOM 624 CG PRO A 52 4.983 -8.406 4.555 1.00 0.00 C ATOM 625 CD PRO A 52 3.985 -8.767 3.500 1.00 0.00 C ATOM 0 HA PRO A 52 2.606 -7.861 6.127 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.723 -6.306 4.584 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.885 -7.039 6.168 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.970 -8.241 4.123 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.086 -9.205 5.289 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.239 -8.331 2.534 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.919 -9.845 3.355 1.00 0.00 H new ATOM 633 N ILE A 53 1.568 -5.716 5.978 1.00 0.00 N ATOM 634 CA ILE A 53 0.853 -4.459 5.906 1.00 0.00 C ATOM 635 C ILE A 53 1.357 -3.550 7.013 1.00 0.00 C ATOM 636 O ILE A 53 0.935 -3.696 8.168 1.00 0.00 O ATOM 637 CB ILE A 53 -0.693 -4.661 6.094 1.00 0.00 C ATOM 638 CG1 ILE A 53 -1.280 -5.714 5.123 1.00 0.00 C ATOM 639 CG2 ILE A 53 -1.450 -3.340 5.964 1.00 0.00 C ATOM 640 CD1 ILE A 53 -1.197 -5.374 3.647 1.00 0.00 C ATOM 0 H ILE A 53 1.329 -6.293 6.784 1.00 0.00 H new ATOM 0 HA ILE A 53 1.027 -4.023 4.922 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.827 -5.042 7.107 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.763 -6.660 5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.327 -5.874 5.381 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.517 -3.517 6.100 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.098 -2.643 6.724 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.275 -2.916 4.975 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.638 -6.182 3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.741 -4.449 3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.153 -5.247 3.361 1.00 0.00 H new ATOM 652 N LEU A 54 2.298 -2.668 6.707 1.00 0.00 N ATOM 653 CA LEU A 54 2.765 -1.743 7.723 1.00 0.00 C ATOM 654 C LEU A 54 2.509 -0.307 7.296 1.00 0.00 C ATOM 655 O LEU A 54 2.702 0.046 6.128 1.00 0.00 O ATOM 656 CB LEU A 54 4.259 -1.938 8.058 1.00 0.00 C ATOM 657 CG LEU A 54 4.713 -3.344 8.504 1.00 0.00 C ATOM 658 CD1 LEU A 54 6.134 -3.301 9.019 1.00 0.00 C ATOM 659 CD2 LEU A 54 3.788 -3.943 9.553 1.00 0.00 C ATOM 0 H LEU A 54 2.740 -2.575 5.792 1.00 0.00 H new ATOM 0 HA LEU A 54 2.198 -1.958 8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.840 -1.661 7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.521 -1.234 8.848 1.00 0.00 H new ATOM 0 HG LEU A 54 4.668 -3.990 7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.439 -4.300 9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.797 -2.948 8.229 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.192 -2.623 9.871 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.149 -4.932 9.835 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.770 -3.299 10.432 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.781 -4.027 9.145 1.00 0.00 H new ATOM 671 N ILE A 55 2.078 0.504 8.235 1.00 0.00 N ATOM 672 CA ILE A 55 1.786 1.892 8.018 1.00 0.00 C ATOM 673 C ILE A 55 3.029 2.679 8.377 1.00 0.00 C ATOM 674 O ILE A 55 3.672 2.410 9.386 1.00 0.00 O ATOM 675 CB ILE A 55 0.588 2.376 8.901 1.00 0.00 C ATOM 676 CG1 ILE A 55 -0.673 1.534 8.620 1.00 0.00 C ATOM 677 CG2 ILE A 55 0.301 3.859 8.655 1.00 0.00 C ATOM 678 CD1 ILE A 55 -1.865 1.883 9.493 1.00 0.00 C ATOM 0 H ILE A 55 1.918 0.202 9.196 1.00 0.00 H new ATOM 0 HA ILE A 55 1.503 2.043 6.976 1.00 0.00 H new ATOM 0 HB ILE A 55 0.864 2.245 9.947 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.954 1.660 7.574 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.431 0.481 8.760 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.535 4.176 9.278 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.184 4.447 8.906 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.050 4.012 7.605 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.708 1.244 9.230 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.606 1.729 10.541 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.138 2.927 9.336 1.00 0.00 H new ATOM 690 N ARG A 56 3.381 3.576 7.534 1.00 0.00 N ATOM 691 CA ARG A 56 4.557 4.421 7.659 1.00 0.00 C ATOM 692 C ARG A 56 4.205 5.858 7.366 1.00 0.00 C ATOM 693 O ARG A 56 3.099 6.154 6.931 1.00 0.00 O ATOM 694 CB ARG A 56 5.634 3.974 6.684 1.00 0.00 C ATOM 695 CG ARG A 56 6.179 2.562 6.929 1.00 0.00 C ATOM 696 CD ARG A 56 7.064 2.461 8.184 1.00 0.00 C ATOM 697 NE ARG A 56 6.373 2.836 9.428 1.00 0.00 N ATOM 698 CZ ARG A 56 6.977 3.125 10.576 1.00 0.00 C ATOM 699 NH1 ARG A 56 8.250 2.797 10.764 1.00 0.00 N ATOM 700 NH2 ARG A 56 6.285 3.678 11.559 1.00 0.00 N ATOM 0 H ARG A 56 2.844 3.768 6.688 1.00 0.00 H new ATOM 0 HA ARG A 56 4.927 4.335 8.681 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.231 4.022 5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.462 4.681 6.731 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.343 1.869 7.025 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.756 2.247 6.060 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.432 1.439 8.277 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.936 3.103 8.056 1.00 0.00 H new ATOM 0 HE ARG A 56 5.354 2.877 9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.768 2.321 10.026 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.709 3.021 11.647 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.293 3.880 11.433 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.743 3.902 12.442 1.00 0.00 H new ATOM 714 N GLU A 57 5.148 6.730 7.593 1.00 0.00 N ATOM 715 CA GLU A 57 4.970 8.156 7.349 1.00 0.00 C ATOM 716 C GLU A 57 5.308 8.490 5.897 1.00 0.00 C ATOM 717 O GLU A 57 5.873 7.666 5.170 1.00 0.00 O ATOM 718 CB GLU A 57 5.815 9.043 8.290 1.00 0.00 C ATOM 719 CG GLU A 57 5.423 9.025 9.770 1.00 0.00 C ATOM 720 CD GLU A 57 5.753 7.741 10.480 1.00 0.00 C ATOM 721 OE1 GLU A 57 6.961 7.460 10.689 1.00 0.00 O ATOM 722 OE2 GLU A 57 4.828 7.010 10.873 1.00 0.00 O ATOM 0 H GLU A 57 6.069 6.482 7.954 1.00 0.00 H new ATOM 0 HA GLU A 57 3.922 8.374 7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.857 8.734 8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.759 10.071 7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.927 9.848 10.278 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.352 9.208 9.853 1.00 0.00 H new ATOM 729 N CYS A 58 4.955 9.670 5.483 1.00 0.00 N ATOM 730 CA CYS A 58 5.174 10.125 4.134 1.00 0.00 C ATOM 731 C CYS A 58 6.327 11.135 4.070 1.00 0.00 C ATOM 732 O CYS A 58 6.252 12.227 4.629 1.00 0.00 O ATOM 733 CB CYS A 58 3.884 10.737 3.604 1.00 0.00 C ATOM 734 SG CYS A 58 3.234 12.104 4.622 1.00 0.00 S ATOM 0 H CYS A 58 4.498 10.359 6.080 1.00 0.00 H new ATOM 0 HA CYS A 58 5.456 9.277 3.511 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.057 11.103 2.592 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.126 9.957 3.536 1.00 0.00 H new ATOM 739 N SER A 59 7.395 10.752 3.419 1.00 0.00 N ATOM 740 CA SER A 59 8.568 11.592 3.296 1.00 0.00 C ATOM 741 C SER A 59 8.442 12.680 2.209 1.00 0.00 C ATOM 742 O SER A 59 9.034 13.760 2.337 1.00 0.00 O ATOM 743 CB SER A 59 9.751 10.698 2.991 1.00 0.00 C ATOM 744 OG SER A 59 9.426 9.848 1.893 1.00 0.00 O ATOM 0 H SER A 59 7.480 9.847 2.956 1.00 0.00 H new ATOM 0 HA SER A 59 8.695 12.126 4.238 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.626 11.302 2.752 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.005 10.100 3.866 1.00 0.00 H new ATOM 0 HG SER A 59 10.190 9.268 1.691 1.00 0.00 H new ATOM 750 N ASP A 60 7.653 12.432 1.159 1.00 0.00 N ATOM 751 CA ASP A 60 7.648 13.352 0.034 1.00 0.00 C ATOM 752 C ASP A 60 6.344 14.074 -0.017 1.00 0.00 C ATOM 753 O ASP A 60 6.169 15.100 0.650 1.00 0.00 O ATOM 754 CB ASP A 60 7.926 12.644 -1.305 1.00 0.00 C ATOM 755 CG ASP A 60 9.234 11.898 -1.348 1.00 0.00 C ATOM 756 OD1 ASP A 60 10.292 12.529 -1.546 1.00 0.00 O ATOM 757 OD2 ASP A 60 9.221 10.657 -1.190 1.00 0.00 O ATOM 0 H ASP A 60 7.031 11.628 1.070 1.00 0.00 H new ATOM 0 HA ASP A 60 8.458 14.066 0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.115 11.945 -1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.917 13.385 -2.104 1.00 0.00 H new ATOM 762 N VAL A 61 5.409 13.548 -0.774 1.00 0.00 N ATOM 763 CA VAL A 61 4.096 14.095 -0.759 1.00 0.00 C ATOM 764 C VAL A 61 3.292 13.349 0.269 1.00 0.00 C ATOM 765 O VAL A 61 3.163 13.809 1.403 1.00 0.00 O ATOM 766 CB VAL A 61 3.380 14.073 -2.140 1.00 0.00 C ATOM 767 CG1 VAL A 61 1.982 14.672 -2.035 1.00 0.00 C ATOM 768 CG2 VAL A 61 4.180 14.830 -3.178 1.00 0.00 C ATOM 0 H VAL A 61 5.542 12.751 -1.397 1.00 0.00 H new ATOM 0 HA VAL A 61 4.181 15.152 -0.506 1.00 0.00 H new ATOM 0 HB VAL A 61 3.298 13.031 -2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.501 14.646 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.391 14.094 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.053 15.705 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.657 14.799 -4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.297 15.867 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.162 14.370 -3.287 1.00 0.00 H new ATOM 778 N GLN A 62 2.863 12.146 -0.054 1.00 0.00 N ATOM 779 CA GLN A 62 1.991 11.458 0.853 1.00 0.00 C ATOM 780 C GLN A 62 1.853 9.929 0.534 1.00 0.00 C ATOM 781 O GLN A 62 2.640 9.135 1.076 1.00 0.00 O ATOM 782 CB GLN A 62 0.622 12.221 0.989 1.00 0.00 C ATOM 783 CG GLN A 62 -0.272 11.886 2.190 1.00 0.00 C ATOM 784 CD GLN A 62 -0.800 10.473 2.218 1.00 0.00 C ATOM 785 OE1 GLN A 62 -0.216 9.596 2.805 1.00 0.00 O ATOM 786 NE2 GLN A 62 -1.884 10.246 1.555 1.00 0.00 N ATOM 0 H GLN A 62 3.098 11.644 -0.910 1.00 0.00 H new ATOM 0 HA GLN A 62 2.452 11.472 1.840 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.837 13.289 1.020 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.046 12.038 0.082 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.293 12.065 3.105 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.117 12.574 2.197 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.354 11.010 1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.270 9.303 1.517 1.00 0.00 H new ATOM 795 N PRO A 63 0.963 9.490 -0.420 1.00 0.00 N ATOM 796 CA PRO A 63 0.602 8.089 -0.545 1.00 0.00 C ATOM 797 C PRO A 63 1.539 7.278 -1.409 1.00 0.00 C ATOM 798 O PRO A 63 1.185 6.896 -2.509 1.00 0.00 O ATOM 799 CB PRO A 63 -0.792 8.123 -1.201 1.00 0.00 C ATOM 800 CG PRO A 63 -0.983 9.525 -1.708 1.00 0.00 C ATOM 801 CD PRO A 63 0.312 10.271 -1.486 1.00 0.00 C ATOM 0 HA PRO A 63 0.640 7.607 0.432 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.856 7.402 -2.016 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.567 7.860 -0.481 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.244 9.517 -2.766 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.802 10.015 -1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.919 10.304 -2.391 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.137 11.303 -1.181 1.00 0.00 H new ATOM 809 N LYS A 64 2.719 7.041 -0.948 1.00 0.00 N ATOM 810 CA LYS A 64 3.623 6.185 -1.699 1.00 0.00 C ATOM 811 C LYS A 64 3.528 4.825 -1.100 1.00 0.00 C ATOM 812 O LYS A 64 3.393 4.685 0.123 1.00 0.00 O ATOM 813 CB LYS A 64 5.124 6.576 -1.609 1.00 0.00 C ATOM 814 CG LYS A 64 5.564 7.980 -2.007 1.00 0.00 C ATOM 815 CD LYS A 64 5.215 9.014 -0.976 1.00 0.00 C ATOM 816 CE LYS A 64 6.063 8.884 0.293 1.00 0.00 C ATOM 817 NZ LYS A 64 7.543 8.895 0.016 1.00 0.00 N ATOM 0 H LYS A 64 3.092 7.411 -0.074 1.00 0.00 H new ATOM 0 HA LYS A 64 3.323 6.263 -2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.441 6.415 -0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.681 5.873 -2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.642 7.985 -2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.097 8.247 -2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.353 10.008 -1.401 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.160 8.922 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.820 9.702 0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.802 7.958 0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.059 9.110 0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.837 7.962 -0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.757 9.620 -0.698 1.00 0.00 H new ATOM 831 N LEU A 65 3.635 3.839 -1.911 1.00 0.00 N ATOM 832 CA LEU A 65 3.600 2.501 -1.417 1.00 0.00 C ATOM 833 C LEU A 65 4.901 1.874 -1.575 1.00 0.00 C ATOM 834 O LEU A 65 5.397 1.744 -2.684 1.00 0.00 O ATOM 835 CB LEU A 65 2.542 1.693 -2.097 1.00 0.00 C ATOM 836 CG LEU A 65 1.231 1.491 -1.291 1.00 0.00 C ATOM 837 CD1 LEU A 65 1.476 0.580 -0.108 1.00 0.00 C ATOM 838 CD2 LEU A 65 0.674 2.815 -0.788 1.00 0.00 C ATOM 0 H LEU A 65 3.748 3.926 -2.921 1.00 0.00 H new ATOM 0 HA LEU A 65 3.353 2.541 -0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.295 2.174 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.955 0.713 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 65 0.503 1.039 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.548 0.448 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.828 -0.389 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.229 1.024 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.244 2.635 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.407 3.295 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.460 3.465 -1.636 1.00 0.00 H new ATOM 850 N TRP A 66 5.487 1.540 -0.492 1.00 0.00 N ATOM 851 CA TRP A 66 6.723 0.875 -0.529 1.00 0.00 C ATOM 852 C TRP A 66 6.468 -0.617 -0.555 1.00 0.00 C ATOM 853 O TRP A 66 5.700 -1.124 0.254 1.00 0.00 O ATOM 854 CB TRP A 66 7.610 1.233 0.686 1.00 0.00 C ATOM 855 CG TRP A 66 8.748 0.265 0.866 1.00 0.00 C ATOM 856 CD1 TRP A 66 8.819 -0.789 1.740 1.00 0.00 C ATOM 857 CD2 TRP A 66 9.923 0.228 0.109 1.00 0.00 C ATOM 858 NE1 TRP A 66 9.980 -1.480 1.549 1.00 0.00 N ATOM 859 CE2 TRP A 66 10.685 -0.862 0.550 1.00 0.00 C ATOM 860 CE3 TRP A 66 10.405 1.016 -0.900 1.00 0.00 C ATOM 861 CZ2 TRP A 66 11.904 -1.165 -0.014 1.00 0.00 C ATOM 862 CZ3 TRP A 66 11.600 0.714 -1.452 1.00 0.00 C ATOM 863 CH2 TRP A 66 12.335 -0.349 -1.022 1.00 0.00 C ATOM 0 H TRP A 66 5.122 1.721 0.443 1.00 0.00 H new ATOM 0 HA TRP A 66 7.258 1.191 -1.424 1.00 0.00 H new ATOM 0 HB2 TRP A 66 8.009 2.239 0.558 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.999 1.244 1.589 1.00 0.00 H new ATOM 0 HD1 TRP A 66 8.065 -1.036 2.473 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.272 -2.312 2.061 1.00 0.00 H new ATOM 0 HE3 TRP A 66 9.839 1.866 -1.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.491 -2.006 0.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 11.982 1.330 -2.253 1.00 0.00 H new ATOM 0 HH2 TRP A 66 13.286 -0.553 -1.491 1.00 0.00 H new ATOM 874 N ALA A 67 7.113 -1.285 -1.444 1.00 0.00 N ATOM 875 CA ALA A 67 7.041 -2.697 -1.551 1.00 0.00 C ATOM 876 C ALA A 67 8.429 -3.236 -1.700 1.00 0.00 C ATOM 877 O ALA A 67 9.242 -2.660 -2.425 1.00 0.00 O ATOM 878 CB ALA A 67 6.229 -3.089 -2.768 1.00 0.00 C ATOM 0 H ALA A 67 7.723 -0.851 -2.137 1.00 0.00 H new ATOM 0 HA ALA A 67 6.564 -3.103 -0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.181 -4.176 -2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.220 -2.687 -2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.701 -2.687 -3.665 1.00 0.00 H new ATOM 884 N ARG A 68 8.718 -4.302 -1.022 1.00 0.00 N ATOM 885 CA ARG A 68 9.931 -4.982 -1.194 1.00 0.00 C ATOM 886 C ARG A 68 9.519 -6.403 -1.357 1.00 0.00 C ATOM 887 O ARG A 68 9.122 -7.083 -0.417 1.00 0.00 O ATOM 888 CB ARG A 68 10.896 -4.828 -0.024 1.00 0.00 C ATOM 889 CG ARG A 68 12.292 -5.290 -0.357 1.00 0.00 C ATOM 890 CD ARG A 68 13.052 -4.221 -1.130 1.00 0.00 C ATOM 891 NE ARG A 68 14.172 -4.779 -1.881 1.00 0.00 N ATOM 892 CZ ARG A 68 15.183 -4.071 -2.370 1.00 0.00 C ATOM 893 NH1 ARG A 68 15.423 -2.839 -1.930 1.00 0.00 N ATOM 894 NH2 ARG A 68 15.991 -4.620 -3.256 1.00 0.00 N ATOM 0 H ARG A 68 8.098 -4.718 -0.327 1.00 0.00 H new ATOM 0 HA ARG A 68 10.485 -4.581 -2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.927 -3.782 0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.523 -5.397 0.827 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.828 -5.530 0.561 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.245 -6.205 -0.947 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.371 -3.717 -1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.422 -3.466 -0.436 1.00 0.00 H new ATOM 0 HE ARG A 68 14.179 -5.786 -2.042 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.828 -2.430 -1.210 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.202 -2.304 -2.312 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.837 -5.581 -3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.770 -4.083 -3.637 1.00 0.00 H new ATOM 908 N TYR A 69 9.456 -6.773 -2.548 1.00 0.00 N ATOM 909 CA TYR A 69 9.005 -8.099 -2.947 1.00 0.00 C ATOM 910 C TYR A 69 10.094 -9.139 -2.637 1.00 0.00 C ATOM 911 O TYR A 69 11.220 -8.790 -2.297 1.00 0.00 O ATOM 912 CB TYR A 69 8.729 -8.154 -4.461 1.00 0.00 C ATOM 913 CG TYR A 69 7.980 -6.978 -5.045 1.00 0.00 C ATOM 914 CD1 TYR A 69 6.641 -6.779 -4.802 1.00 0.00 C ATOM 915 CD2 TYR A 69 8.635 -6.064 -5.856 1.00 0.00 C ATOM 916 CE1 TYR A 69 5.978 -5.708 -5.345 1.00 0.00 C ATOM 917 CE2 TYR A 69 7.977 -4.992 -6.403 1.00 0.00 C ATOM 918 CZ TYR A 69 6.645 -4.819 -6.144 1.00 0.00 C ATOM 919 OH TYR A 69 5.975 -3.755 -6.691 1.00 0.00 O ATOM 0 H TYR A 69 9.716 -6.175 -3.333 1.00 0.00 H new ATOM 0 HA TYR A 69 8.091 -8.315 -2.394 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.683 -8.245 -4.980 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.163 -9.061 -4.674 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.104 -7.476 -4.175 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.687 -6.199 -6.062 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.927 -5.566 -5.142 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.506 -4.291 -7.032 1.00 0.00 H new ATOM 0 HH TYR A 69 5.243 -3.489 -6.096 1.00 0.00 H new ATOM 929 N ALA A 70 9.765 -10.405 -2.816 1.00 0.00 N ATOM 930 CA ALA A 70 10.713 -11.499 -2.603 1.00 0.00 C ATOM 931 C ALA A 70 11.340 -11.873 -3.904 1.00 0.00 C ATOM 932 O ALA A 70 12.227 -12.709 -3.962 1.00 0.00 O ATOM 933 CB ALA A 70 10.076 -12.691 -1.907 1.00 0.00 C ATOM 0 H ALA A 70 8.838 -10.710 -3.112 1.00 0.00 H new ATOM 0 HA ALA A 70 11.494 -11.152 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.821 -13.475 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.694 -12.383 -0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.255 -13.071 -2.515 1.00 0.00 H new ATOM 939 N PHE A 71 10.877 -11.213 -4.966 1.00 0.00 N ATOM 940 CA PHE A 71 11.599 -11.212 -6.233 1.00 0.00 C ATOM 941 C PHE A 71 12.880 -10.403 -5.975 1.00 0.00 C ATOM 942 O PHE A 71 13.822 -10.381 -6.768 1.00 0.00 O ATOM 943 CB PHE A 71 10.783 -10.516 -7.339 1.00 0.00 C ATOM 944 CG PHE A 71 9.397 -11.065 -7.555 1.00 0.00 C ATOM 945 CD1 PHE A 71 9.205 -12.376 -7.954 1.00 0.00 C ATOM 946 CD2 PHE A 71 8.285 -10.260 -7.355 1.00 0.00 C ATOM 947 CE1 PHE A 71 7.932 -12.876 -8.149 1.00 0.00 C ATOM 948 CE2 PHE A 71 7.010 -10.754 -7.550 1.00 0.00 C ATOM 949 CZ PHE A 71 6.834 -12.064 -7.946 1.00 0.00 C ATOM 0 H PHE A 71 10.010 -10.676 -4.972 1.00 0.00 H new ATOM 0 HA PHE A 71 11.798 -12.231 -6.565 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.703 -9.456 -7.097 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.335 -10.588 -8.276 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.060 -13.016 -8.115 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.418 -9.235 -7.043 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.796 -13.901 -8.460 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.153 -10.116 -7.393 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.838 -12.454 -8.097 1.00 0.00 H new ATOM 959 N GLY A 72 12.837 -9.688 -4.842 1.00 0.00 N ATOM 960 CA GLY A 72 13.927 -8.936 -4.329 1.00 0.00 C ATOM 961 C GLY A 72 13.974 -7.562 -4.904 1.00 0.00 C ATOM 962 O GLY A 72 14.900 -6.797 -4.652 1.00 0.00 O ATOM 0 H GLY A 72 12.002 -9.633 -4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.846 -8.873 -3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.861 -9.454 -4.549 1.00 0.00 H new ATOM 966 N GLN A 73 12.952 -7.247 -5.661 1.00 0.00 N ATOM 967 CA GLN A 73 12.801 -5.954 -6.258 1.00 0.00 C ATOM 968 C GLN A 73 11.952 -5.089 -5.341 1.00 0.00 C ATOM 969 O GLN A 73 11.306 -5.605 -4.393 1.00 0.00 O ATOM 970 CB GLN A 73 12.171 -6.074 -7.648 1.00 0.00 C ATOM 971 CG GLN A 73 13.009 -6.903 -8.617 1.00 0.00 C ATOM 972 CD GLN A 73 12.479 -6.910 -10.044 1.00 0.00 C ATOM 973 OE1 GLN A 73 13.257 -7.012 -11.010 1.00 0.00 O ATOM 974 NE2 GLN A 73 11.188 -6.837 -10.209 1.00 0.00 N ATOM 0 H GLN A 73 12.194 -7.894 -5.879 1.00 0.00 H new ATOM 0 HA GLN A 73 13.778 -5.488 -6.385 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.183 -6.525 -7.555 1.00 0.00 H new ATOM 0 HB3 GLN A 73 12.028 -5.076 -8.063 1.00 0.00 H new ATOM 0 HG2 GLN A 73 14.029 -6.518 -8.621 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.057 -7.929 -8.253 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.574 -6.754 -9.399 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.792 -6.863 -11.148 1.00 0.00 H new ATOM 983 N GLU A 74 11.936 -3.815 -5.583 1.00 0.00 N ATOM 984 CA GLU A 74 11.215 -2.921 -4.739 1.00 0.00 C ATOM 985 C GLU A 74 10.396 -1.944 -5.557 1.00 0.00 C ATOM 986 O GLU A 74 10.504 -1.888 -6.783 1.00 0.00 O ATOM 987 CB GLU A 74 12.185 -2.135 -3.841 1.00 0.00 C ATOM 988 CG GLU A 74 13.031 -1.059 -4.546 1.00 0.00 C ATOM 989 CD GLU A 74 14.045 -1.592 -5.537 1.00 0.00 C ATOM 990 OE1 GLU A 74 13.671 -1.914 -6.688 1.00 0.00 O ATOM 991 OE2 GLU A 74 15.244 -1.646 -5.196 1.00 0.00 O ATOM 0 H GLU A 74 12.418 -3.371 -6.364 1.00 0.00 H new ATOM 0 HA GLU A 74 10.543 -3.517 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.609 -1.656 -3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.860 -2.843 -3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.361 -0.375 -5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.556 -0.477 -3.789 1.00 0.00 H new ATOM 998 N THR A 75 9.592 -1.189 -4.882 1.00 0.00 N ATOM 999 CA THR A 75 8.860 -0.133 -5.467 1.00 0.00 C ATOM 1000 C THR A 75 8.479 0.779 -4.315 1.00 0.00 C ATOM 1001 O THR A 75 8.376 0.319 -3.189 1.00 0.00 O ATOM 1002 CB THR A 75 7.605 -0.644 -6.285 1.00 0.00 C ATOM 1003 OG1 THR A 75 7.342 0.252 -7.382 1.00 0.00 O ATOM 1004 CG2 THR A 75 6.344 -0.738 -5.427 1.00 0.00 C ATOM 0 H THR A 75 9.427 -1.299 -3.881 1.00 0.00 H new ATOM 0 HA THR A 75 9.455 0.399 -6.210 1.00 0.00 H new ATOM 0 HB THR A 75 7.848 -1.644 -6.644 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.566 -0.068 -7.887 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.514 -1.093 -6.038 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.514 -1.434 -4.605 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.103 0.246 -5.025 1.00 0.00 H new ATOM 1012 N ASN A 76 8.403 2.033 -4.562 1.00 0.00 N ATOM 1013 CA ASN A 76 8.050 3.015 -3.554 1.00 0.00 C ATOM 1014 C ASN A 76 7.253 4.104 -4.216 1.00 0.00 C ATOM 1015 O ASN A 76 7.818 5.069 -4.738 1.00 0.00 O ATOM 1016 CB ASN A 76 9.313 3.553 -2.805 1.00 0.00 C ATOM 1017 CG ASN A 76 10.573 3.746 -3.688 1.00 0.00 C ATOM 1018 OD1 ASN A 76 11.520 2.778 -3.651 1.00 0.00 O flip ATOM 1019 ND2 ASN A 76 10.744 4.778 -4.327 1.00 0.00 N flip ATOM 0 H ASN A 76 8.584 2.434 -5.482 1.00 0.00 H new ATOM 0 HA ASN A 76 7.436 2.553 -2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.063 4.508 -2.344 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.558 2.863 -1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.018 5.495 -4.342 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.612 4.920 -4.844 1.00 0.00 H new ATOM 1026 N VAL A 77 5.921 3.960 -4.240 1.00 0.00 N ATOM 1027 CA VAL A 77 5.194 4.847 -5.173 1.00 0.00 C ATOM 1028 C VAL A 77 3.877 5.497 -4.815 1.00 0.00 C ATOM 1029 O VAL A 77 2.944 4.856 -4.361 1.00 0.00 O ATOM 1030 CB VAL A 77 5.178 4.248 -6.551 1.00 0.00 C ATOM 1031 CG1 VAL A 77 4.676 2.802 -6.549 1.00 0.00 C ATOM 1032 CG2 VAL A 77 4.500 5.093 -7.631 1.00 0.00 C ATOM 0 H VAL A 77 5.364 3.309 -3.687 1.00 0.00 H new ATOM 0 HA VAL A 77 5.809 5.744 -5.095 1.00 0.00 H new ATOM 0 HB VAL A 77 6.228 4.239 -6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.683 2.413 -7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.327 2.192 -5.923 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.660 2.770 -6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.545 4.568 -8.585 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.458 5.263 -7.359 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.013 6.051 -7.719 1.00 0.00 H new ATOM 1042 N PRO A 78 3.874 6.848 -5.003 1.00 0.00 N ATOM 1043 CA PRO A 78 2.714 7.729 -4.918 1.00 0.00 C ATOM 1044 C PRO A 78 1.611 7.226 -5.770 1.00 0.00 C ATOM 1045 O PRO A 78 1.663 7.262 -7.003 1.00 0.00 O ATOM 1046 CB PRO A 78 3.221 9.056 -5.465 1.00 0.00 C ATOM 1047 CG PRO A 78 4.672 9.029 -5.210 1.00 0.00 C ATOM 1048 CD PRO A 78 5.084 7.591 -5.296 1.00 0.00 C ATOM 0 HA PRO A 78 2.322 7.802 -3.904 1.00 0.00 H new ATOM 0 HB2 PRO A 78 3.007 9.155 -6.529 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.746 9.899 -4.964 1.00 0.00 H new ATOM 0 HG2 PRO A 78 5.208 9.632 -5.943 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.903 9.442 -4.228 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.469 7.347 -6.286 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.874 7.361 -4.581 1.00 0.00 H new ATOM 1056 N LEU A 79 0.654 6.722 -5.122 1.00 0.00 N ATOM 1057 CA LEU A 79 -0.457 6.146 -5.737 1.00 0.00 C ATOM 1058 C LEU A 79 -1.725 6.937 -5.427 1.00 0.00 C ATOM 1059 O LEU A 79 -2.837 6.413 -5.376 1.00 0.00 O ATOM 1060 CB LEU A 79 -0.483 4.670 -5.375 1.00 0.00 C ATOM 1061 CG LEU A 79 -0.432 4.209 -3.910 1.00 0.00 C ATOM 1062 CD1 LEU A 79 -1.523 4.812 -3.043 1.00 0.00 C ATOM 1063 CD2 LEU A 79 -0.553 2.701 -3.912 1.00 0.00 C ATOM 0 H LEU A 79 0.619 6.697 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.394 6.195 -6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.391 4.252 -5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.359 4.202 -5.885 1.00 0.00 H new ATOM 0 HG LEU A 79 0.509 4.548 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.424 4.441 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.431 5.898 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.499 4.530 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.521 2.332 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.498 2.412 -4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.273 2.270 -4.478 1.00 0.00 H new ATOM 1075 N ASN A 80 -1.511 8.237 -5.312 1.00 0.00 N ATOM 1076 CA ASN A 80 -2.544 9.266 -5.016 1.00 0.00 C ATOM 1077 C ASN A 80 -3.825 9.143 -5.872 1.00 0.00 C ATOM 1078 O ASN A 80 -4.930 9.428 -5.400 1.00 0.00 O ATOM 1079 CB ASN A 80 -1.918 10.679 -5.171 1.00 0.00 C ATOM 1080 CG ASN A 80 -2.883 11.869 -4.993 1.00 0.00 C ATOM 1081 OD1 ASN A 80 -2.761 12.875 -5.701 1.00 0.00 O ATOM 1082 ND2 ASN A 80 -3.754 11.817 -4.024 1.00 0.00 N ATOM 0 H ASN A 80 -0.581 8.640 -5.424 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.868 9.099 -3.989 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.111 10.779 -4.445 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.466 10.748 -6.161 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.355 12.619 -3.835 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.834 10.974 -3.455 1.00 0.00 H new ATOM 1089 N ASN A 81 -3.674 8.643 -7.056 1.00 0.00 N ATOM 1090 CA ASN A 81 -4.768 8.586 -8.055 1.00 0.00 C ATOM 1091 C ASN A 81 -5.599 7.297 -7.966 1.00 0.00 C ATOM 1092 O ASN A 81 -6.426 7.029 -8.845 1.00 0.00 O ATOM 1093 CB ASN A 81 -4.206 8.683 -9.485 1.00 0.00 C ATOM 1094 CG ASN A 81 -3.415 9.944 -9.771 1.00 0.00 C ATOM 1095 OD1 ASN A 81 -3.671 11.010 -9.213 1.00 0.00 O ATOM 1096 ND2 ASN A 81 -2.434 9.822 -10.632 1.00 0.00 N ATOM 0 H ASN A 81 -2.793 8.252 -7.389 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.414 9.434 -7.828 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.566 7.820 -9.669 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.034 8.622 -10.191 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.852 10.628 -10.860 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.253 8.921 -11.074 1.00 0.00 H new ATOM 1103 N PHE A 82 -5.400 6.505 -6.943 1.00 0.00 N ATOM 1104 CA PHE A 82 -6.110 5.266 -6.820 1.00 0.00 C ATOM 1105 C PHE A 82 -7.059 5.293 -5.639 1.00 0.00 C ATOM 1106 O PHE A 82 -6.816 5.971 -4.626 1.00 0.00 O ATOM 1107 CB PHE A 82 -5.154 4.078 -6.711 1.00 0.00 C ATOM 1108 CG PHE A 82 -4.315 3.814 -7.929 1.00 0.00 C ATOM 1109 CD1 PHE A 82 -3.089 4.436 -8.097 1.00 0.00 C ATOM 1110 CD2 PHE A 82 -4.747 2.927 -8.897 1.00 0.00 C ATOM 1111 CE1 PHE A 82 -2.314 4.182 -9.205 1.00 0.00 C ATOM 1112 CE2 PHE A 82 -3.977 2.668 -10.010 1.00 0.00 C ATOM 1113 CZ PHE A 82 -2.758 3.296 -10.163 1.00 0.00 C ATOM 0 H PHE A 82 -4.749 6.701 -6.183 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.698 5.141 -7.729 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.491 4.244 -5.862 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.736 3.183 -6.491 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.737 5.130 -7.348 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.699 2.431 -8.780 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.361 4.675 -9.324 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.327 1.975 -10.761 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.152 3.093 -11.033 1.00 0.00 H new ATOM 1123 N SER A 83 -8.143 4.605 -5.801 1.00 0.00 N ATOM 1124 CA SER A 83 -9.165 4.481 -4.790 1.00 0.00 C ATOM 1125 C SER A 83 -8.993 3.156 -3.990 1.00 0.00 C ATOM 1126 O SER A 83 -8.107 2.375 -4.288 1.00 0.00 O ATOM 1127 CB SER A 83 -10.548 4.571 -5.447 1.00 0.00 C ATOM 1128 OG SER A 83 -11.582 4.675 -4.475 1.00 0.00 O ATOM 0 H SER A 83 -8.356 4.097 -6.660 1.00 0.00 H new ATOM 0 HA SER A 83 -9.069 5.300 -4.077 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.582 5.436 -6.109 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.716 3.689 -6.065 1.00 0.00 H new ATOM 0 HG SER A 83 -12.450 4.732 -4.926 1.00 0.00 H new ATOM 1134 N ALA A 84 -9.893 2.926 -3.018 1.00 0.00 N ATOM 1135 CA ALA A 84 -9.858 1.803 -2.038 1.00 0.00 C ATOM 1136 C ALA A 84 -9.565 0.401 -2.681 1.00 0.00 C ATOM 1137 O ALA A 84 -8.538 -0.287 -2.377 1.00 0.00 O ATOM 1138 CB ALA A 84 -11.216 1.740 -1.362 1.00 0.00 C ATOM 0 H ALA A 84 -10.699 3.535 -2.880 1.00 0.00 H new ATOM 0 HA ALA A 84 -9.042 2.005 -1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -11.224 0.926 -0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.413 2.683 -0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.988 1.565 -2.112 1.00 0.00 H new ATOM 1144 N ASP A 85 -10.453 -0.021 -3.569 1.00 0.00 N ATOM 1145 CA ASP A 85 -10.359 -1.347 -4.199 1.00 0.00 C ATOM 1146 C ASP A 85 -9.180 -1.372 -5.110 1.00 0.00 C ATOM 1147 O ASP A 85 -8.407 -2.311 -5.119 1.00 0.00 O ATOM 1148 CB ASP A 85 -11.600 -1.637 -5.002 1.00 0.00 C ATOM 1149 CG ASP A 85 -11.710 -3.088 -5.434 1.00 0.00 C ATOM 1150 OD1 ASP A 85 -12.159 -3.938 -4.637 1.00 0.00 O ATOM 1151 OD2 ASP A 85 -11.387 -3.405 -6.590 1.00 0.00 O ATOM 0 H ASP A 85 -11.253 0.532 -3.876 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.254 -2.101 -3.419 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.477 -1.374 -4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.609 -1.000 -5.886 1.00 0.00 H new ATOM 1156 N GLN A 86 -9.067 -0.323 -5.872 1.00 0.00 N ATOM 1157 CA GLN A 86 -7.925 -0.108 -6.761 1.00 0.00 C ATOM 1158 C GLN A 86 -6.605 -0.269 -6.071 1.00 0.00 C ATOM 1159 O GLN A 86 -5.808 -1.051 -6.520 1.00 0.00 O ATOM 1160 CB GLN A 86 -7.998 1.230 -7.484 1.00 0.00 C ATOM 1161 CG GLN A 86 -8.856 1.205 -8.727 1.00 0.00 C ATOM 1162 CD GLN A 86 -8.261 0.326 -9.807 1.00 0.00 C ATOM 1163 OE1 GLN A 86 -6.955 0.258 -9.860 1.00 0.00 O flip ATOM 1164 NE2 GLN A 86 -8.969 -0.272 -10.602 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.762 0.423 -5.906 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.991 -0.897 -7.510 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.389 1.982 -6.799 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.989 1.541 -7.756 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -9.852 0.844 -8.473 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.972 2.220 -9.108 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.984 -0.200 -10.536 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -8.545 -0.844 -11.333 1.00 0.00 H new ATOM 1173 N VAL A 87 -6.379 0.437 -4.986 1.00 0.00 N ATOM 1174 CA VAL A 87 -5.119 0.299 -4.286 1.00 0.00 C ATOM 1175 C VAL A 87 -4.925 -1.120 -3.766 1.00 0.00 C ATOM 1176 O VAL A 87 -3.875 -1.686 -3.943 1.00 0.00 O ATOM 1177 CB VAL A 87 -4.878 1.352 -3.148 1.00 0.00 C ATOM 1178 CG1 VAL A 87 -4.702 2.729 -3.707 1.00 0.00 C ATOM 1179 CG2 VAL A 87 -6.008 1.381 -2.178 1.00 0.00 C ATOM 0 H VAL A 87 -7.036 1.100 -4.574 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.359 0.512 -5.038 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.967 1.044 -2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.537 3.434 -2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.843 2.742 -4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.598 3.015 -4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.805 2.122 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.928 1.644 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.119 0.399 -1.719 1.00 0.00 H new ATOM 1189 N THR A 88 -5.957 -1.723 -3.206 1.00 0.00 N ATOM 1190 CA THR A 88 -5.796 -3.075 -2.667 1.00 0.00 C ATOM 1191 C THR A 88 -5.543 -4.151 -3.736 1.00 0.00 C ATOM 1192 O THR A 88 -4.635 -5.024 -3.606 1.00 0.00 O ATOM 1193 CB THR A 88 -6.958 -3.453 -1.750 1.00 0.00 C ATOM 1194 OG1 THR A 88 -8.205 -3.185 -2.395 1.00 0.00 O ATOM 1195 CG2 THR A 88 -6.888 -2.654 -0.496 1.00 0.00 C ATOM 0 H THR A 88 -6.890 -1.321 -3.110 1.00 0.00 H new ATOM 0 HA THR A 88 -4.885 -3.044 -2.069 1.00 0.00 H new ATOM 0 HB THR A 88 -6.887 -4.516 -1.521 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.045 -2.961 -3.336 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.718 -2.926 0.156 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.946 -2.857 0.013 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.949 -1.593 -0.737 1.00 0.00 H new ATOM 1203 N ARG A 89 -6.283 -4.055 -4.772 1.00 0.00 N ATOM 1204 CA ARG A 89 -6.241 -5.008 -5.862 1.00 0.00 C ATOM 1205 C ARG A 89 -5.006 -4.772 -6.717 1.00 0.00 C ATOM 1206 O ARG A 89 -4.339 -5.724 -7.114 1.00 0.00 O ATOM 1207 CB ARG A 89 -7.527 -4.912 -6.683 1.00 0.00 C ATOM 1208 CG ARG A 89 -7.749 -6.033 -7.678 1.00 0.00 C ATOM 1209 CD ARG A 89 -9.113 -5.897 -8.353 1.00 0.00 C ATOM 1210 NE ARG A 89 -10.201 -5.723 -7.364 1.00 0.00 N ATOM 1211 CZ ARG A 89 -10.845 -6.705 -6.717 1.00 0.00 C ATOM 1212 NH1 ARG A 89 -10.599 -7.980 -7.002 1.00 0.00 N ATOM 1213 NH2 ARG A 89 -11.747 -6.399 -5.790 1.00 0.00 N ATOM 0 H ARG A 89 -6.957 -3.302 -4.910 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.174 -6.020 -5.461 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.374 -4.885 -5.998 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.523 -3.965 -7.223 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.962 -6.017 -8.432 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.684 -6.995 -7.169 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.099 -5.044 -9.032 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.309 -6.783 -8.957 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.487 -4.767 -7.155 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -9.914 -8.219 -7.719 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -11.095 -8.719 -6.503 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.946 -5.422 -5.575 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.241 -7.141 -5.294 1.00 0.00 H new ATOM 1227 N ALA A 90 -4.681 -3.504 -6.983 1.00 0.00 N ATOM 1228 CA ALA A 90 -3.448 -3.186 -7.705 1.00 0.00 C ATOM 1229 C ALA A 90 -2.257 -3.590 -6.876 1.00 0.00 C ATOM 1230 O ALA A 90 -1.268 -3.999 -7.447 1.00 0.00 O ATOM 1231 CB ALA A 90 -3.356 -1.719 -8.099 1.00 0.00 C ATOM 0 H ALA A 90 -5.242 -2.696 -6.715 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.458 -3.754 -8.636 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.421 -1.543 -8.631 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.195 -1.463 -8.746 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.386 -1.099 -7.203 1.00 0.00 H new ATOM 1237 N LEU A 91 -2.355 -3.482 -5.513 1.00 0.00 N ATOM 1238 CA LEU A 91 -1.299 -4.026 -4.650 1.00 0.00 C ATOM 1239 C LEU A 91 -1.117 -5.460 -4.966 1.00 0.00 C ATOM 1240 O LEU A 91 -0.042 -5.872 -5.297 1.00 0.00 O ATOM 1241 CB LEU A 91 -1.541 -3.885 -3.114 1.00 0.00 C ATOM 1242 CG LEU A 91 -0.782 -2.743 -2.389 1.00 0.00 C ATOM 1243 CD1 LEU A 91 -1.021 -1.381 -3.015 1.00 0.00 C ATOM 1244 CD2 LEU A 91 -1.136 -2.727 -0.914 1.00 0.00 C ATOM 0 H LEU A 91 -3.130 -3.038 -5.020 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.414 -3.427 -4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.609 -3.741 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.270 -4.828 -2.639 1.00 0.00 H new ATOM 0 HG LEU A 91 0.282 -2.950 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.463 -0.624 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.687 -1.394 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.085 -1.146 -2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.596 -1.920 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.208 -2.570 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.859 -3.680 -0.463 1.00 0.00 H new ATOM 1256 N GLU A 92 -2.194 -6.208 -4.932 1.00 0.00 N ATOM 1257 CA GLU A 92 -2.116 -7.645 -5.207 1.00 0.00 C ATOM 1258 C GLU A 92 -1.492 -7.902 -6.560 1.00 0.00 C ATOM 1259 O GLU A 92 -0.602 -8.741 -6.671 1.00 0.00 O ATOM 1260 CB GLU A 92 -3.476 -8.319 -5.116 1.00 0.00 C ATOM 1261 CG GLU A 92 -3.426 -9.827 -5.321 1.00 0.00 C ATOM 1262 CD GLU A 92 -4.785 -10.442 -5.548 1.00 0.00 C ATOM 1263 OE1 GLU A 92 -5.237 -10.495 -6.714 1.00 0.00 O ATOM 1264 OE2 GLU A 92 -5.412 -10.917 -4.586 1.00 0.00 O ATOM 0 H GLU A 92 -3.130 -5.862 -4.720 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.480 -8.082 -4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.912 -8.108 -4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.139 -7.881 -5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.786 -10.050 -6.175 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.966 -10.291 -4.448 1.00 0.00 H new ATOM 1271 N ASN A 93 -1.951 -7.179 -7.537 1.00 0.00 N ATOM 1272 CA ASN A 93 -1.414 -7.229 -8.870 1.00 0.00 C ATOM 1273 C ASN A 93 0.100 -7.042 -8.834 1.00 0.00 C ATOM 1274 O ASN A 93 0.896 -8.015 -9.095 1.00 0.00 O ATOM 1275 CB ASN A 93 -2.095 -6.135 -9.725 1.00 0.00 C ATOM 1276 CG ASN A 93 -3.500 -6.498 -10.144 1.00 0.00 C ATOM 1277 OD1 ASN A 93 -3.840 -7.673 -10.275 1.00 0.00 O ATOM 1278 ND2 ASN A 93 -4.313 -5.510 -10.398 1.00 0.00 N ATOM 0 H ASN A 93 -2.725 -6.523 -7.431 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.615 -8.202 -9.318 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.120 -5.204 -9.159 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.493 -5.951 -10.615 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.263 -5.700 -10.716 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.998 -4.547 -10.279 1.00 0.00 H new ATOM 1285 N VAL A 94 0.506 -5.855 -8.387 1.00 0.00 N ATOM 1286 CA VAL A 94 1.889 -5.488 -8.344 1.00 0.00 C ATOM 1287 C VAL A 94 2.734 -6.382 -7.542 1.00 0.00 C ATOM 1288 O VAL A 94 3.810 -6.790 -7.999 1.00 0.00 O ATOM 1289 CB VAL A 94 2.203 -4.035 -7.944 1.00 0.00 C ATOM 1290 CG1 VAL A 94 1.828 -3.050 -9.032 1.00 0.00 C ATOM 1291 CG2 VAL A 94 1.603 -3.614 -6.612 1.00 0.00 C ATOM 0 H VAL A 94 -0.128 -5.132 -8.048 1.00 0.00 H new ATOM 0 HA VAL A 94 2.143 -5.595 -9.399 1.00 0.00 H new ATOM 0 HB VAL A 94 3.285 -4.014 -7.814 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.068 -2.038 -8.705 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.387 -3.280 -9.939 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.760 -3.122 -9.236 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.871 -2.578 -6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.518 -3.707 -6.656 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.990 -4.255 -5.820 1.00 0.00 H new ATOM 1301 N LEU A 95 2.277 -6.747 -6.403 1.00 0.00 N ATOM 1302 CA LEU A 95 3.170 -7.408 -5.529 1.00 0.00 C ATOM 1303 C LEU A 95 3.137 -8.865 -5.561 1.00 0.00 C ATOM 1304 O LEU A 95 4.094 -9.494 -5.149 1.00 0.00 O ATOM 1305 CB LEU A 95 3.157 -6.839 -4.131 1.00 0.00 C ATOM 1306 CG LEU A 95 1.813 -6.776 -3.407 1.00 0.00 C ATOM 1307 CD1 LEU A 95 1.276 -8.129 -2.942 1.00 0.00 C ATOM 1308 CD2 LEU A 95 1.842 -5.771 -2.299 1.00 0.00 C ATOM 0 H LEU A 95 1.326 -6.607 -6.062 1.00 0.00 H new ATOM 0 HA LEU A 95 4.149 -7.179 -5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.840 -7.430 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.563 -5.828 -4.176 1.00 0.00 H new ATOM 0 HG LEU A 95 1.095 -6.442 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.319 -7.987 -2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.140 -8.782 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.985 -8.584 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.872 -5.749 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.612 -6.046 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.063 -4.785 -2.708 1.00 0.00 H new ATOM 1320 N SER A 96 2.085 -9.423 -5.988 1.00 0.00 N ATOM 1321 CA SER A 96 2.099 -10.822 -6.066 1.00 0.00 C ATOM 1322 C SER A 96 2.802 -11.215 -7.359 1.00 0.00 C ATOM 1323 O SER A 96 3.313 -12.335 -7.482 1.00 0.00 O ATOM 1324 CB SER A 96 0.712 -11.428 -5.945 1.00 0.00 C ATOM 1325 OG SER A 96 0.056 -10.956 -4.769 1.00 0.00 O ATOM 0 H SER A 96 1.227 -8.956 -6.281 1.00 0.00 H new ATOM 0 HA SER A 96 2.649 -11.228 -5.217 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.120 -11.173 -6.824 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.786 -12.515 -5.915 1.00 0.00 H new ATOM 0 HG SER A 96 -0.376 -10.097 -4.958 1.00 0.00 H new ATOM 1331 N GLY A 97 2.827 -10.308 -8.353 1.00 0.00 N ATOM 1332 CA GLY A 97 3.654 -10.617 -9.472 1.00 0.00 C ATOM 1333 C GLY A 97 3.589 -9.641 -10.580 1.00 0.00 C ATOM 1334 O GLY A 97 3.446 -10.042 -11.729 1.00 0.00 O ATOM 0 H GLY A 97 2.316 -9.426 -8.386 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.687 -10.692 -9.133 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.372 -11.598 -9.854 1.00 0.00 H new ATOM 1338 N LYS A 98 3.645 -8.355 -10.304 1.00 0.00 N ATOM 1339 CA LYS A 98 3.650 -7.446 -11.461 1.00 0.00 C ATOM 1340 C LYS A 98 5.042 -7.040 -11.747 1.00 0.00 C ATOM 1341 O LYS A 98 5.564 -7.206 -12.857 1.00 0.00 O ATOM 1342 CB LYS A 98 2.746 -6.232 -11.256 1.00 0.00 C ATOM 1343 CG LYS A 98 2.258 -5.496 -12.527 1.00 0.00 C ATOM 1344 CD LYS A 98 3.354 -4.720 -13.251 1.00 0.00 C ATOM 1345 CE LYS A 98 2.796 -3.968 -14.453 1.00 0.00 C ATOM 1346 NZ LYS A 98 3.817 -3.121 -15.109 1.00 0.00 N ATOM 0 H LYS A 98 3.685 -7.929 -9.378 1.00 0.00 H new ATOM 0 HA LYS A 98 3.241 -7.979 -12.319 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.870 -6.554 -10.693 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.279 -5.514 -10.633 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.828 -6.224 -13.214 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.460 -4.807 -12.252 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.820 -4.015 -12.562 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.134 -5.407 -13.579 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.402 -4.683 -15.175 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.961 -3.345 -14.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.391 -2.629 -15.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.176 -2.420 -14.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.603 -3.717 -15.439 1.00 0.00 H new ATOM 1360 N ALA A 99 5.626 -6.539 -10.746 1.00 0.00 N ATOM 1361 CA ALA A 99 6.958 -6.011 -10.804 1.00 0.00 C ATOM 1362 C ALA A 99 7.982 -7.099 -10.528 1.00 0.00 C ATOM 1363 O ALA A 99 8.343 -7.825 -11.482 1.00 0.00 O ATOM 1364 CB ALA A 99 7.103 -4.841 -9.848 1.00 0.00 C ATOM 1365 OXT ALA A 99 8.441 -7.234 -9.395 1.00 0.00 O ATOM 0 H ALA A 99 5.197 -6.472 -9.823 1.00 0.00 H new ATOM 0 HA ALA A 99 7.146 -5.640 -11.812 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.119 -4.450 -9.903 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.397 -4.057 -10.123 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.897 -5.174 -8.831 1.00 0.00 H new