USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=15 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 30 SER OG : rot 61:sc= -2.22! USER MOD Set 1.2: A 80 ASN : amide:sc= 1.13 X(o=-1.1,f=-0.69) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.0397 F(o=-1.9!,f=-0.04) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 27 SER OG : rot 180:sc= -0.578 USER MOD Single : A 31 GLN : amide:sc= -1.47! C(o=-1.5!,f=-2.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0828) USER MOD Single : A 48 ASN : amide:sc= -0.709 K(o=-0.71,f=-3.9!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -3.39! C(o=-3.4!,f=-10!) USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 1.73 (180deg=1.62) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.0553 F(o=-4.6!,f=-0.055) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.408 F(o=-1.4!,f=-0.41) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0.0165 K(o=0.017,f=-5.1!) USER MOD Single : A 88 THR OG1 : rot 4:sc= 1.58 USER MOD Single : A 93 ASN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 96 SER OG : rot 110:sc= 0.118 USER MOD Single : A 98 LYS NZ :NH3+ -167:sc= -0.0455 (180deg=-0.249) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 1.954 -11.260 -2.132 1.00 0.00 N ATOM 2 CA GLY A 15 3.015 -12.252 -2.227 1.00 0.00 C ATOM 3 C GLY A 15 4.320 -11.579 -2.486 1.00 0.00 C ATOM 4 O GLY A 15 4.754 -11.448 -3.621 1.00 0.00 O ATOM 0 HA2 GLY A 15 3.070 -12.827 -1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.794 -12.957 -3.029 1.00 0.00 H new ATOM 8 N LEU A 16 4.918 -11.104 -1.425 1.00 0.00 N ATOM 9 CA LEU A 16 6.176 -10.415 -1.447 1.00 0.00 C ATOM 10 C LEU A 16 6.724 -10.339 -0.054 1.00 0.00 C ATOM 11 O LEU A 16 6.085 -10.817 0.884 1.00 0.00 O ATOM 12 CB LEU A 16 6.124 -9.001 -2.107 1.00 0.00 C ATOM 13 CG LEU A 16 4.955 -8.020 -1.816 1.00 0.00 C ATOM 14 CD1 LEU A 16 4.351 -8.190 -0.451 1.00 0.00 C ATOM 15 CD2 LEU A 16 5.471 -6.608 -1.940 1.00 0.00 C ATOM 0 H LEU A 16 4.525 -11.191 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 16 6.842 -10.997 -2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.046 -8.488 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.152 -9.152 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 16 4.170 -8.237 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.542 -7.472 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.958 -9.202 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.114 -8.020 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.662 -5.906 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.276 -6.450 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.849 -6.446 -2.949 1.00 0.00 H new ATOM 27 N ARG A 17 7.845 -9.701 0.098 1.00 0.00 N ATOM 28 CA ARG A 17 8.498 -9.648 1.375 1.00 0.00 C ATOM 29 C ARG A 17 8.037 -8.489 2.210 1.00 0.00 C ATOM 30 O ARG A 17 8.125 -8.568 3.437 1.00 0.00 O ATOM 31 CB ARG A 17 10.010 -9.589 1.230 1.00 0.00 C ATOM 32 CG ARG A 17 10.611 -10.794 0.568 1.00 0.00 C ATOM 33 CD ARG A 17 12.112 -10.667 0.471 1.00 0.00 C ATOM 34 NE ARG A 17 12.704 -11.811 -0.209 1.00 0.00 N ATOM 35 CZ ARG A 17 13.827 -11.778 -0.931 1.00 0.00 C ATOM 36 NH1 ARG A 17 14.580 -10.678 -0.956 1.00 0.00 N ATOM 37 NH2 ARG A 17 14.206 -12.861 -1.589 1.00 0.00 N ATOM 0 H ARG A 17 8.331 -9.206 -0.650 1.00 0.00 H new ATOM 0 HA ARG A 17 8.221 -10.570 1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.274 -8.702 0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.454 -9.472 2.218 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.354 -11.690 1.134 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.188 -10.914 -0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.366 -9.753 -0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.536 -10.578 1.471 1.00 0.00 H new ATOM 0 HE ARG A 17 12.223 -12.707 -0.127 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.299 -9.856 -0.422 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.437 -10.659 -1.509 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.642 -13.710 -1.542 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.062 -12.847 -2.144 1.00 0.00 H new ATOM 51 N GLU A 18 7.567 -7.394 1.591 1.00 0.00 N ATOM 52 CA GLU A 18 7.210 -6.233 2.439 1.00 0.00 C ATOM 53 C GLU A 18 6.283 -5.209 1.742 1.00 0.00 C ATOM 54 O GLU A 18 6.517 -4.886 0.571 1.00 0.00 O ATOM 55 CB GLU A 18 8.518 -5.510 2.767 1.00 0.00 C ATOM 56 CG GLU A 18 8.468 -4.546 3.922 1.00 0.00 C ATOM 57 CD GLU A 18 8.210 -5.239 5.235 1.00 0.00 C ATOM 58 OE1 GLU A 18 9.152 -5.826 5.802 1.00 0.00 O ATOM 59 OE2 GLU A 18 7.099 -5.183 5.734 1.00 0.00 O ATOM 0 H GLU A 18 7.431 -7.282 0.586 1.00 0.00 H new ATOM 0 HA GLU A 18 6.675 -6.611 3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.281 -6.259 2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.842 -4.966 1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.411 -4.003 3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.686 -3.808 3.743 1.00 0.00 H new ATOM 66 N ILE A 19 5.223 -4.736 2.453 1.00 0.00 N ATOM 67 CA ILE A 19 4.466 -3.550 2.038 1.00 0.00 C ATOM 68 C ILE A 19 4.376 -2.589 3.209 1.00 0.00 C ATOM 69 O ILE A 19 3.845 -2.905 4.281 1.00 0.00 O ATOM 70 CB ILE A 19 3.034 -3.852 1.487 1.00 0.00 C ATOM 71 CG1 ILE A 19 3.095 -4.427 0.090 1.00 0.00 C ATOM 72 CG2 ILE A 19 2.110 -2.617 1.526 1.00 0.00 C ATOM 73 CD1 ILE A 19 3.610 -3.449 -0.940 1.00 0.00 C ATOM 0 H ILE A 19 4.884 -5.166 3.313 1.00 0.00 H new ATOM 0 HA ILE A 19 5.012 -3.112 1.203 1.00 0.00 H new ATOM 0 HB ILE A 19 2.599 -4.598 2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.736 -5.308 0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.099 -4.759 -0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.129 -2.884 1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.006 -2.272 2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.541 -1.821 0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.628 -3.927 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.956 -2.578 -0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.619 -3.135 -0.671 1.00 0.00 H new ATOM 85 N ARG A 20 4.918 -1.452 3.028 1.00 0.00 N ATOM 86 CA ARG A 20 4.877 -0.443 4.032 1.00 0.00 C ATOM 87 C ARG A 20 4.335 0.818 3.446 1.00 0.00 C ATOM 88 O ARG A 20 4.982 1.503 2.653 1.00 0.00 O ATOM 89 CB ARG A 20 6.238 -0.241 4.716 1.00 0.00 C ATOM 90 CG ARG A 20 6.717 -1.498 5.422 1.00 0.00 C ATOM 91 CD ARG A 20 8.004 -1.306 6.185 1.00 0.00 C ATOM 92 NE ARG A 20 8.429 -2.575 6.786 1.00 0.00 N ATOM 93 CZ ARG A 20 9.495 -2.757 7.574 1.00 0.00 C ATOM 94 NH1 ARG A 20 10.231 -1.735 7.979 1.00 0.00 N ATOM 95 NH2 ARG A 20 9.822 -3.978 7.956 1.00 0.00 N ATOM 0 H ARG A 20 5.409 -1.182 2.176 1.00 0.00 H new ATOM 0 HA ARG A 20 4.206 -0.769 4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.976 0.059 3.972 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.163 0.573 5.437 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.943 -1.836 6.111 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.855 -2.289 4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.780 -0.934 5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.866 -0.555 6.963 1.00 0.00 H new ATOM 0 HE ARG A 20 7.858 -3.396 6.584 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.990 -0.787 7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.040 -1.895 8.580 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.263 -4.775 7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.633 -4.124 8.557 1.00 0.00 H new ATOM 109 N ILE A 21 3.142 1.106 3.791 1.00 0.00 N ATOM 110 CA ILE A 21 2.485 2.261 3.287 1.00 0.00 C ATOM 111 C ILE A 21 3.020 3.431 4.003 1.00 0.00 C ATOM 112 O ILE A 21 3.195 3.385 5.189 1.00 0.00 O ATOM 113 CB ILE A 21 0.996 2.282 3.598 1.00 0.00 C ATOM 114 CG1 ILE A 21 0.544 1.024 4.333 1.00 0.00 C ATOM 115 CG2 ILE A 21 0.182 2.518 2.325 1.00 0.00 C ATOM 116 CD1 ILE A 21 -0.781 1.186 4.997 1.00 0.00 C ATOM 0 H ILE A 21 2.583 0.548 4.436 1.00 0.00 H new ATOM 0 HA ILE A 21 2.643 2.265 2.209 1.00 0.00 H new ATOM 0 HB ILE A 21 0.813 3.116 4.275 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.492 0.195 3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.290 0.759 5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.880 2.529 2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.464 3.475 1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.382 1.718 1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.050 0.259 5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.726 1.995 5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.537 1.423 4.248 1.00 0.00 H new ATOM 128 N HIS A 22 3.312 4.436 3.314 1.00 0.00 N ATOM 129 CA HIS A 22 3.633 5.653 3.950 1.00 0.00 C ATOM 130 C HIS A 22 2.394 6.504 3.736 1.00 0.00 C ATOM 131 O HIS A 22 2.061 6.810 2.586 1.00 0.00 O ATOM 132 CB HIS A 22 4.870 6.317 3.291 1.00 0.00 C ATOM 133 CG HIS A 22 6.133 5.470 3.196 1.00 0.00 C ATOM 134 ND1 HIS A 22 6.667 4.571 4.055 1.00 0.00 N flip ATOM 135 CD2 HIS A 22 7.027 5.536 2.124 1.00 0.00 C flip ATOM 136 CE1 HIS A 22 7.838 4.119 3.504 1.00 0.00 C flip ATOM 137 NE2 HIS A 22 8.033 4.713 2.348 1.00 0.00 N flip ATOM 0 H HIS A 22 3.340 4.456 2.295 1.00 0.00 H new ATOM 0 HA HIS A 22 3.888 5.523 5.002 1.00 0.00 H new ATOM 0 HB2 HIS A 22 4.593 6.628 2.284 1.00 0.00 H new ATOM 0 HB3 HIS A 22 5.109 7.222 3.850 1.00 0.00 H new ATOM 0 HD2 HIS A 22 6.912 6.161 1.251 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.497 3.389 3.950 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.829 4.563 1.728 1.00 0.00 H new ATOM 146 N LEU A 23 1.755 6.895 4.812 1.00 0.00 N ATOM 147 CA LEU A 23 0.489 7.612 4.788 1.00 0.00 C ATOM 148 C LEU A 23 0.675 9.015 5.330 1.00 0.00 C ATOM 149 O LEU A 23 1.608 9.250 6.073 1.00 0.00 O ATOM 150 CB LEU A 23 -0.502 6.883 5.712 1.00 0.00 C ATOM 151 CG LEU A 23 -1.878 7.530 5.905 1.00 0.00 C ATOM 152 CD1 LEU A 23 -2.651 7.562 4.609 1.00 0.00 C ATOM 153 CD2 LEU A 23 -2.664 6.818 6.987 1.00 0.00 C ATOM 0 H LEU A 23 2.104 6.722 5.755 1.00 0.00 H new ATOM 0 HA LEU A 23 0.122 7.655 3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.653 5.877 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.037 6.778 6.692 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.720 8.560 6.225 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.623 8.026 4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.096 8.138 3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.793 6.545 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.636 7.296 7.105 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.804 5.774 6.707 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.117 6.871 7.929 1.00 0.00 H new ATOM 165 N CYS A 24 -0.194 9.930 4.952 1.00 0.00 N ATOM 166 CA CYS A 24 -0.216 11.276 5.501 1.00 0.00 C ATOM 167 C CYS A 24 -1.591 11.845 5.284 1.00 0.00 C ATOM 168 O CYS A 24 -2.423 11.226 4.616 1.00 0.00 O ATOM 169 CB CYS A 24 0.748 12.234 4.782 1.00 0.00 C ATOM 170 SG CYS A 24 2.473 11.766 4.697 1.00 0.00 S ATOM 0 H CYS A 24 -0.913 9.761 4.248 1.00 0.00 H new ATOM 0 HA CYS A 24 0.072 11.196 6.549 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.387 12.371 3.763 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.687 13.204 5.275 1.00 0.00 H new ATOM 175 N GLN A 25 -1.816 12.994 5.858 1.00 0.00 N ATOM 176 CA GLN A 25 -2.952 13.833 5.563 1.00 0.00 C ATOM 177 C GLN A 25 -2.402 15.252 5.685 1.00 0.00 C ATOM 178 O GLN A 25 -2.989 16.147 6.277 1.00 0.00 O ATOM 179 CB GLN A 25 -4.135 13.577 6.526 1.00 0.00 C ATOM 180 CG GLN A 25 -5.416 14.282 6.075 1.00 0.00 C ATOM 181 CD GLN A 25 -6.617 14.063 6.974 1.00 0.00 C ATOM 182 OE1 GLN A 25 -6.779 13.017 7.614 1.00 0.00 O ATOM 183 NE2 GLN A 25 -7.468 15.050 7.034 1.00 0.00 N ATOM 0 H GLN A 25 -1.197 13.388 6.566 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.369 13.634 4.576 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.318 12.505 6.595 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.867 13.920 7.526 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.220 15.352 6.009 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.666 13.942 5.070 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.304 15.899 6.493 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.298 14.973 7.622 1.00 0.00 H new ATOM 192 N ARG A 26 -1.242 15.421 5.075 1.00 0.00 N ATOM 193 CA ARG A 26 -0.451 16.630 5.185 1.00 0.00 C ATOM 194 C ARG A 26 -0.479 17.364 3.847 1.00 0.00 C ATOM 195 O ARG A 26 -0.889 18.513 3.774 1.00 0.00 O ATOM 196 CB ARG A 26 1.000 16.204 5.566 1.00 0.00 C ATOM 197 CG ARG A 26 1.988 17.287 6.059 1.00 0.00 C ATOM 198 CD ARG A 26 2.411 18.302 4.998 1.00 0.00 C ATOM 199 NE ARG A 26 3.598 19.072 5.430 1.00 0.00 N ATOM 200 CZ ARG A 26 3.892 20.340 5.073 1.00 0.00 C ATOM 201 NH1 ARG A 26 2.999 21.085 4.438 1.00 0.00 N ATOM 202 NH2 ARG A 26 5.070 20.864 5.399 1.00 0.00 N ATOM 0 H ARG A 26 -0.818 14.709 4.480 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.845 17.304 5.946 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.928 15.444 6.344 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.444 15.725 4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.532 17.822 6.892 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.880 16.795 6.447 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.631 17.784 4.064 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.586 18.985 4.796 1.00 0.00 H new ATOM 0 HE ARG A 26 4.254 18.602 6.054 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.081 20.701 4.215 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.230 22.042 4.172 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.750 20.308 5.918 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.294 21.822 5.130 1.00 0.00 H new ATOM 216 N SER A 27 -0.080 16.677 2.809 1.00 0.00 N ATOM 217 CA SER A 27 0.011 17.240 1.485 1.00 0.00 C ATOM 218 C SER A 27 -1.170 16.685 0.632 1.00 0.00 C ATOM 219 O SER A 27 -2.094 16.148 1.235 1.00 0.00 O ATOM 220 CB SER A 27 1.390 16.852 0.938 1.00 0.00 C ATOM 221 OG SER A 27 2.420 17.332 1.802 1.00 0.00 O ATOM 0 H SER A 27 0.195 15.696 2.859 1.00 0.00 H new ATOM 0 HA SER A 27 -0.074 18.327 1.469 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.460 15.768 0.845 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.522 17.267 -0.061 1.00 0.00 H new ATOM 0 HG SER A 27 3.295 17.076 1.442 1.00 0.00 H new ATOM 227 N PRO A 28 -1.206 16.890 -0.756 1.00 0.00 N ATOM 228 CA PRO A 28 -2.211 16.316 -1.672 1.00 0.00 C ATOM 229 C PRO A 28 -2.944 15.047 -1.163 1.00 0.00 C ATOM 230 O PRO A 28 -2.392 13.932 -1.169 1.00 0.00 O ATOM 231 CB PRO A 28 -1.330 16.037 -2.894 1.00 0.00 C ATOM 232 CG PRO A 28 -0.498 17.274 -2.983 1.00 0.00 C ATOM 233 CD PRO A 28 -0.312 17.773 -1.550 1.00 0.00 C ATOM 0 HA PRO A 28 -3.061 16.979 -1.836 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.718 15.145 -2.758 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.923 15.882 -3.795 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.465 17.062 -3.448 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.989 18.029 -3.597 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.726 17.688 -1.227 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.592 18.822 -1.451 1.00 0.00 H new ATOM 241 N GLY A 29 -4.181 15.271 -0.700 1.00 0.00 N ATOM 242 CA GLY A 29 -5.013 14.247 -0.095 1.00 0.00 C ATOM 243 C GLY A 29 -5.229 13.045 -0.977 1.00 0.00 C ATOM 244 O GLY A 29 -5.289 13.160 -2.204 1.00 0.00 O ATOM 0 H GLY A 29 -4.630 16.186 -0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.554 13.924 0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.981 14.680 0.158 1.00 0.00 H new ATOM 248 N SER A 30 -5.343 11.898 -0.366 1.00 0.00 N ATOM 249 CA SER A 30 -5.501 10.680 -1.073 1.00 0.00 C ATOM 250 C SER A 30 -6.638 9.817 -0.492 1.00 0.00 C ATOM 251 O SER A 30 -6.601 9.294 0.653 1.00 0.00 O ATOM 252 CB SER A 30 -4.188 9.953 -1.119 1.00 0.00 C ATOM 253 OG SER A 30 -3.189 10.791 -1.678 1.00 0.00 O ATOM 0 H SER A 30 -5.327 11.793 0.648 1.00 0.00 H new ATOM 0 HA SER A 30 -5.802 10.904 -2.097 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.897 9.647 -0.114 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.287 9.044 -1.713 1.00 0.00 H new ATOM 0 HG SER A 30 -3.082 11.589 -1.120 1.00 0.00 H new ATOM 259 N GLN A 31 -7.577 9.584 -1.329 1.00 0.00 N ATOM 260 CA GLN A 31 -8.809 8.952 -0.958 1.00 0.00 C ATOM 261 C GLN A 31 -8.657 7.491 -1.135 1.00 0.00 C ATOM 262 O GLN A 31 -9.255 6.710 -0.422 1.00 0.00 O ATOM 263 CB GLN A 31 -10.037 9.515 -1.735 1.00 0.00 C ATOM 264 CG GLN A 31 -10.031 9.363 -3.271 1.00 0.00 C ATOM 265 CD GLN A 31 -8.970 10.194 -3.980 1.00 0.00 C ATOM 266 OE1 GLN A 31 -8.576 11.256 -3.511 1.00 0.00 O ATOM 267 NE2 GLN A 31 -8.513 9.722 -5.098 1.00 0.00 N ATOM 0 H GLN A 31 -7.520 9.829 -2.318 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.017 9.173 0.089 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.933 9.027 -1.351 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.127 10.576 -1.501 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.879 8.313 -3.520 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.012 9.643 -3.656 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.864 8.835 -5.458 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.802 10.238 -5.617 1.00 0.00 H new ATOM 276 N GLY A 32 -7.796 7.128 -2.080 1.00 0.00 N ATOM 277 CA GLY A 32 -7.446 5.763 -2.255 1.00 0.00 C ATOM 278 C GLY A 32 -6.828 5.247 -1.009 1.00 0.00 C ATOM 279 O GLY A 32 -7.174 4.149 -0.548 1.00 0.00 O ATOM 0 H GLY A 32 -7.340 7.774 -2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.332 5.178 -2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.751 5.659 -3.088 1.00 0.00 H new ATOM 283 N VAL A 33 -5.982 6.091 -0.374 1.00 0.00 N ATOM 284 CA VAL A 33 -5.388 5.619 0.870 1.00 0.00 C ATOM 285 C VAL A 33 -6.391 5.561 1.940 1.00 0.00 C ATOM 286 O VAL A 33 -6.618 4.525 2.432 1.00 0.00 O ATOM 287 CB VAL A 33 -4.064 6.268 1.400 1.00 0.00 C ATOM 288 CG1 VAL A 33 -2.874 5.763 0.663 1.00 0.00 C ATOM 289 CG2 VAL A 33 -4.088 7.767 1.377 1.00 0.00 C ATOM 0 H VAL A 33 -5.718 7.027 -0.681 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.040 4.631 0.568 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.989 5.965 2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.974 6.235 1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.801 4.682 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.974 6.001 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.142 8.152 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.236 8.113 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.904 8.127 2.004 1.00 0.00 H new ATOM 299 N ARG A 34 -7.006 6.686 2.260 1.00 0.00 N ATOM 300 CA ARG A 34 -8.040 6.788 3.320 1.00 0.00 C ATOM 301 C ARG A 34 -9.030 5.609 3.274 1.00 0.00 C ATOM 302 O ARG A 34 -9.217 4.880 4.261 1.00 0.00 O ATOM 303 CB ARG A 34 -8.814 8.058 3.120 1.00 0.00 C ATOM 304 CG ARG A 34 -9.427 8.599 4.388 1.00 0.00 C ATOM 305 CD ARG A 34 -10.171 9.879 4.116 1.00 0.00 C ATOM 306 NE ARG A 34 -10.533 10.591 5.346 1.00 0.00 N ATOM 307 CZ ARG A 34 -11.579 11.405 5.466 1.00 0.00 C ATOM 308 NH1 ARG A 34 -12.594 11.309 4.618 1.00 0.00 N ATOM 309 NH2 ARG A 34 -11.661 12.245 6.485 1.00 0.00 N ATOM 0 H ARG A 34 -6.812 7.574 1.797 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.532 6.775 4.284 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.153 8.813 2.695 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.605 7.880 2.391 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.107 7.861 4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.647 8.776 5.128 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.556 10.528 3.492 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.075 9.656 3.549 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.942 10.453 6.166 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.573 10.611 3.874 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.396 11.933 4.710 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.920 12.272 7.185 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.466 12.866 6.571 1.00 0.00 H new ATOM 323 N ASP A 35 -9.615 5.404 2.115 1.00 0.00 N ATOM 324 CA ASP A 35 -10.569 4.322 1.912 1.00 0.00 C ATOM 325 C ASP A 35 -9.944 3.001 2.168 1.00 0.00 C ATOM 326 O ASP A 35 -10.562 2.131 2.806 1.00 0.00 O ATOM 327 CB ASP A 35 -11.194 4.364 0.530 1.00 0.00 C ATOM 328 CG ASP A 35 -12.338 5.346 0.402 1.00 0.00 C ATOM 329 OD1 ASP A 35 -12.111 6.560 0.247 1.00 0.00 O ATOM 330 OD2 ASP A 35 -13.507 4.924 0.462 1.00 0.00 O ATOM 0 H ASP A 35 -9.448 5.976 1.287 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.371 4.467 2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.425 4.621 -0.198 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.554 3.367 0.275 1.00 0.00 H new ATOM 335 N PHE A 36 -8.745 2.824 1.673 1.00 0.00 N ATOM 336 CA PHE A 36 -7.977 1.660 1.989 1.00 0.00 C ATOM 337 C PHE A 36 -7.808 1.571 3.503 1.00 0.00 C ATOM 338 O PHE A 36 -8.323 0.678 4.101 1.00 0.00 O ATOM 339 CB PHE A 36 -6.644 1.678 1.174 1.00 0.00 C ATOM 340 CG PHE A 36 -5.402 1.054 1.773 1.00 0.00 C ATOM 341 CD1 PHE A 36 -4.738 1.680 2.805 1.00 0.00 C ATOM 342 CD2 PHE A 36 -4.848 -0.100 1.245 1.00 0.00 C ATOM 343 CE1 PHE A 36 -3.581 1.164 3.304 1.00 0.00 C ATOM 344 CE2 PHE A 36 -3.671 -0.599 1.734 1.00 0.00 C ATOM 345 CZ PHE A 36 -3.040 0.027 2.763 1.00 0.00 C ATOM 0 H PHE A 36 -8.282 3.481 1.045 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.487 0.744 1.691 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.835 1.181 0.223 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.412 2.719 0.949 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.140 2.591 3.223 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.350 -0.612 0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.087 1.653 4.130 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.243 -1.491 1.302 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.115 -0.371 3.153 1.00 0.00 H new ATOM 355 N ILE A 37 -7.260 2.611 4.075 1.00 0.00 N ATOM 356 CA ILE A 37 -6.888 2.717 5.518 1.00 0.00 C ATOM 357 C ILE A 37 -8.107 2.382 6.421 1.00 0.00 C ATOM 358 O ILE A 37 -7.955 1.854 7.521 1.00 0.00 O ATOM 359 CB ILE A 37 -6.438 4.184 5.950 1.00 0.00 C ATOM 360 CG1 ILE A 37 -5.426 4.918 5.031 1.00 0.00 C ATOM 361 CG2 ILE A 37 -5.940 4.230 7.389 1.00 0.00 C ATOM 362 CD1 ILE A 37 -4.109 4.245 4.795 1.00 0.00 C ATOM 0 H ILE A 37 -7.039 3.459 3.552 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.060 2.019 5.643 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.369 4.741 5.841 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.902 5.079 4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.232 5.902 5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.644 5.249 7.639 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.736 3.908 8.060 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.083 3.566 7.499 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.498 4.863 4.137 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.595 4.109 5.746 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.275 3.273 4.330 1.00 0.00 H new ATOM 374 N GLU A 38 -9.302 2.657 5.932 1.00 0.00 N ATOM 375 CA GLU A 38 -10.484 2.559 6.767 1.00 0.00 C ATOM 376 C GLU A 38 -11.258 1.317 6.470 1.00 0.00 C ATOM 377 O GLU A 38 -11.386 0.427 7.302 1.00 0.00 O ATOM 378 CB GLU A 38 -11.406 3.776 6.587 1.00 0.00 C ATOM 379 CG GLU A 38 -10.816 5.109 7.011 1.00 0.00 C ATOM 380 CD GLU A 38 -10.398 5.130 8.453 1.00 0.00 C ATOM 381 OE1 GLU A 38 -11.257 4.952 9.343 1.00 0.00 O ATOM 382 OE2 GLU A 38 -9.209 5.368 8.734 1.00 0.00 O ATOM 0 H GLU A 38 -9.479 2.947 4.970 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.133 2.527 7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.692 3.842 5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.320 3.605 7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.953 5.335 6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.550 5.897 6.839 1.00 0.00 H new ATOM 389 N LYS A 39 -11.722 1.231 5.257 1.00 0.00 N ATOM 390 CA LYS A 39 -12.613 0.180 4.866 1.00 0.00 C ATOM 391 C LYS A 39 -11.869 -1.054 4.515 1.00 0.00 C ATOM 392 O LYS A 39 -12.295 -2.167 4.828 1.00 0.00 O ATOM 393 CB LYS A 39 -13.389 0.588 3.632 1.00 0.00 C ATOM 394 CG LYS A 39 -14.243 1.836 3.780 1.00 0.00 C ATOM 395 CD LYS A 39 -15.101 2.049 2.541 1.00 0.00 C ATOM 396 CE LYS A 39 -14.253 2.132 1.284 1.00 0.00 C ATOM 397 NZ LYS A 39 -15.075 2.221 0.071 1.00 0.00 N ATOM 0 H LYS A 39 -11.493 1.888 4.512 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.276 -0.006 5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.684 0.746 2.816 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.034 -0.240 3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.881 1.744 4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.603 2.704 3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.815 1.231 2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.680 2.966 2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.600 3.003 1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.609 1.254 1.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.457 2.276 -0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.680 1.378 -0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.671 3.072 0.117 1.00 0.00 H new ATOM 411 N ARG A 40 -10.752 -0.873 3.892 1.00 0.00 N ATOM 412 CA ARG A 40 -10.111 -1.968 3.283 1.00 0.00 C ATOM 413 C ARG A 40 -8.947 -2.481 4.106 1.00 0.00 C ATOM 414 O ARG A 40 -8.555 -3.571 3.917 1.00 0.00 O ATOM 415 CB ARG A 40 -9.681 -1.555 1.871 1.00 0.00 C ATOM 416 CG ARG A 40 -9.082 -2.645 1.006 1.00 0.00 C ATOM 417 CD ARG A 40 -10.072 -3.752 0.643 1.00 0.00 C ATOM 418 NE ARG A 40 -9.480 -4.682 -0.338 1.00 0.00 N ATOM 419 CZ ARG A 40 -10.070 -5.757 -0.894 1.00 0.00 C ATOM 420 NH1 ARG A 40 -11.288 -6.130 -0.534 1.00 0.00 N ATOM 421 NH2 ARG A 40 -9.407 -6.470 -1.797 1.00 0.00 N ATOM 0 H ARG A 40 -10.273 0.023 3.797 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.809 -2.802 3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.550 -1.147 1.354 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.953 -0.748 1.957 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.697 -2.199 0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.232 -3.086 1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.359 -4.298 1.541 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.981 -3.313 0.232 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.521 -4.490 -0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.795 -5.600 0.175 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.720 -6.947 -0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.460 -6.202 -2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.845 -7.286 -2.224 1.00 0.00 H new ATOM 435 N TYR A 41 -8.417 -1.674 5.019 1.00 0.00 N ATOM 436 CA TYR A 41 -7.197 -2.046 5.835 1.00 0.00 C ATOM 437 C TYR A 41 -7.165 -3.493 6.352 1.00 0.00 C ATOM 438 O TYR A 41 -6.393 -4.326 5.863 1.00 0.00 O ATOM 439 CB TYR A 41 -7.013 -1.081 6.994 1.00 0.00 C ATOM 440 CG TYR A 41 -5.741 -1.269 7.802 1.00 0.00 C ATOM 441 CD1 TYR A 41 -4.539 -0.700 7.404 1.00 0.00 C ATOM 442 CD2 TYR A 41 -5.759 -2.014 8.975 1.00 0.00 C ATOM 443 CE1 TYR A 41 -3.389 -0.874 8.153 1.00 0.00 C ATOM 444 CE2 TYR A 41 -4.629 -2.197 9.725 1.00 0.00 C ATOM 445 CZ TYR A 41 -3.438 -1.625 9.313 1.00 0.00 C ATOM 446 OH TYR A 41 -2.292 -1.801 10.067 1.00 0.00 O ATOM 0 H TYR A 41 -8.791 -0.750 5.235 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.366 -1.970 5.134 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.028 -0.063 6.603 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.867 -1.178 7.664 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.501 -0.114 6.498 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.687 -2.459 9.303 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.459 -0.426 7.834 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.666 -2.783 10.631 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.497 -2.353 10.851 1.00 0.00 H new ATOM 456 N VAL A 42 -7.968 -3.765 7.322 1.00 0.00 N ATOM 457 CA VAL A 42 -8.043 -5.078 7.926 1.00 0.00 C ATOM 458 C VAL A 42 -8.449 -6.135 6.880 1.00 0.00 C ATOM 459 O VAL A 42 -7.988 -7.283 6.896 1.00 0.00 O ATOM 460 CB VAL A 42 -9.004 -5.016 9.133 1.00 0.00 C ATOM 461 CG1 VAL A 42 -10.255 -4.233 8.762 1.00 0.00 C ATOM 462 CG2 VAL A 42 -9.341 -6.405 9.660 1.00 0.00 C ATOM 0 H VAL A 42 -8.605 -3.083 7.733 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.064 -5.385 8.295 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.500 -4.493 9.946 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.927 -4.194 9.619 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.977 -3.220 8.472 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.758 -4.724 7.928 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.019 -6.317 10.509 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.819 -6.987 8.872 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.426 -6.906 9.977 1.00 0.00 H new ATOM 472 N GLU A 43 -9.206 -5.688 5.918 1.00 0.00 N ATOM 473 CA GLU A 43 -9.650 -6.504 4.836 1.00 0.00 C ATOM 474 C GLU A 43 -8.501 -6.793 3.886 1.00 0.00 C ATOM 475 O GLU A 43 -8.508 -7.812 3.303 1.00 0.00 O ATOM 476 CB GLU A 43 -10.834 -5.824 4.136 1.00 0.00 C ATOM 477 CG GLU A 43 -11.474 -6.621 3.022 1.00 0.00 C ATOM 478 CD GLU A 43 -12.745 -5.989 2.547 1.00 0.00 C ATOM 479 OE1 GLU A 43 -13.775 -6.145 3.218 1.00 0.00 O ATOM 480 OE2 GLU A 43 -12.746 -5.334 1.497 1.00 0.00 O ATOM 0 H GLU A 43 -9.536 -4.724 5.868 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.996 -7.467 5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.595 -5.599 4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.495 -4.871 3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.777 -6.706 2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.679 -7.633 3.370 1.00 0.00 H new ATOM 487 N LEU A 44 -7.470 -5.933 3.765 1.00 0.00 N ATOM 488 CA LEU A 44 -6.394 -6.321 2.889 1.00 0.00 C ATOM 489 C LEU A 44 -5.395 -7.119 3.671 1.00 0.00 C ATOM 490 O LEU A 44 -4.649 -7.908 3.125 1.00 0.00 O ATOM 491 CB LEU A 44 -5.730 -5.160 2.125 1.00 0.00 C ATOM 492 CG LEU A 44 -4.803 -4.220 2.868 1.00 0.00 C ATOM 493 CD1 LEU A 44 -3.575 -3.950 2.025 1.00 0.00 C ATOM 494 CD2 LEU A 44 -5.509 -2.931 3.148 1.00 0.00 C ATOM 0 H LEU A 44 -7.376 -5.032 4.234 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.831 -6.932 2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.166 -5.592 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.526 -4.558 1.687 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.504 -4.679 3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.908 -3.274 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.057 -4.888 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.874 -3.494 1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.839 -2.258 3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.812 -2.470 2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.391 -3.124 3.758 1.00 0.00 H new ATOM 506 N LYS A 45 -5.425 -6.942 4.977 1.00 0.00 N ATOM 507 CA LYS A 45 -4.571 -7.702 5.850 1.00 0.00 C ATOM 508 C LYS A 45 -5.086 -9.139 5.924 1.00 0.00 C ATOM 509 O LYS A 45 -4.333 -10.080 6.215 1.00 0.00 O ATOM 510 CB LYS A 45 -4.481 -7.042 7.239 1.00 0.00 C ATOM 511 CG LYS A 45 -3.373 -7.598 8.119 1.00 0.00 C ATOM 512 CD LYS A 45 -3.249 -6.828 9.423 1.00 0.00 C ATOM 513 CE LYS A 45 -2.075 -7.336 10.244 1.00 0.00 C ATOM 514 NZ LYS A 45 -1.928 -6.611 11.523 1.00 0.00 N ATOM 0 H LYS A 45 -6.035 -6.276 5.452 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.557 -7.721 5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.326 -5.971 7.111 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.435 -7.167 7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.572 -8.648 8.334 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.426 -7.557 7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.118 -5.767 9.212 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.170 -6.928 9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.208 -8.399 10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.158 -7.234 9.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.115 -6.993 12.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.774 -5.600 11.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.792 -6.729 12.090 1.00 0.00 H new ATOM 528 N LYS A 46 -6.376 -9.304 5.681 1.00 0.00 N ATOM 529 CA LYS A 46 -6.960 -10.622 5.611 1.00 0.00 C ATOM 530 C LYS A 46 -6.965 -11.118 4.167 1.00 0.00 C ATOM 531 O LYS A 46 -6.787 -12.310 3.910 1.00 0.00 O ATOM 532 CB LYS A 46 -8.397 -10.611 6.175 1.00 0.00 C ATOM 533 CG LYS A 46 -9.484 -10.035 5.255 1.00 0.00 C ATOM 534 CD LYS A 46 -10.709 -9.634 6.085 1.00 0.00 C ATOM 535 CE LYS A 46 -11.909 -9.210 5.240 1.00 0.00 C ATOM 536 NZ LYS A 46 -12.415 -10.280 4.351 1.00 0.00 N ATOM 0 H LYS A 46 -7.033 -8.539 5.530 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.358 -11.299 6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.672 -11.634 6.431 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.396 -10.040 7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.097 -9.168 4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.767 -10.774 4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.999 -10.473 6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.435 -8.814 6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.713 -8.888 5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.630 -8.348 4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.305 -9.973 3.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.712 -10.478 3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.584 -11.142 4.907 1.00 0.00 H new ATOM 550 N ALA A 47 -7.132 -10.188 3.221 1.00 0.00 N ATOM 551 CA ALA A 47 -7.296 -10.563 1.843 1.00 0.00 C ATOM 552 C ALA A 47 -5.977 -10.928 1.169 1.00 0.00 C ATOM 553 O ALA A 47 -5.943 -11.711 0.210 1.00 0.00 O ATOM 554 CB ALA A 47 -7.984 -9.490 1.017 1.00 0.00 C ATOM 0 H ALA A 47 -7.155 -9.184 3.397 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.934 -11.446 1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.080 -9.830 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.974 -9.294 1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.392 -8.575 1.044 1.00 0.00 H new ATOM 560 N ASN A 48 -4.904 -10.384 1.685 1.00 0.00 N ATOM 561 CA ASN A 48 -3.594 -10.504 1.138 1.00 0.00 C ATOM 562 C ASN A 48 -2.756 -11.056 2.291 1.00 0.00 C ATOM 563 O ASN A 48 -2.257 -10.312 3.138 1.00 0.00 O ATOM 564 CB ASN A 48 -3.006 -9.124 0.671 1.00 0.00 C ATOM 565 CG ASN A 48 -3.857 -8.282 -0.324 1.00 0.00 C ATOM 566 OD1 ASN A 48 -5.070 -8.371 -0.359 1.00 0.00 O ATOM 567 ND2 ASN A 48 -3.220 -7.402 -1.116 1.00 0.00 N ATOM 0 H ASN A 48 -4.931 -9.822 2.536 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.597 -11.138 0.251 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.827 -8.517 1.558 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.036 -9.310 0.211 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.754 -6.806 -1.749 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.203 -7.330 -1.084 1.00 0.00 H new ATOM 574 N PRO A 49 -2.729 -12.373 2.399 1.00 0.00 N ATOM 575 CA PRO A 49 -2.074 -13.109 3.495 1.00 0.00 C ATOM 576 C PRO A 49 -0.616 -12.790 3.619 1.00 0.00 C ATOM 577 O PRO A 49 -0.166 -12.192 4.601 1.00 0.00 O ATOM 578 CB PRO A 49 -2.285 -14.577 3.121 1.00 0.00 C ATOM 579 CG PRO A 49 -2.620 -14.536 1.679 1.00 0.00 C ATOM 580 CD PRO A 49 -3.373 -13.263 1.470 1.00 0.00 C ATOM 0 HA PRO A 49 -2.493 -12.844 4.466 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.388 -15.169 3.306 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.089 -15.026 3.705 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.718 -14.561 1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.223 -15.398 1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.293 -12.907 0.443 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.435 -13.378 1.686 1.00 0.00 H new ATOM 588 N ASP A 50 0.097 -13.136 2.615 1.00 0.00 N ATOM 589 CA ASP A 50 1.522 -12.844 2.557 1.00 0.00 C ATOM 590 C ASP A 50 1.789 -11.515 1.929 1.00 0.00 C ATOM 591 O ASP A 50 2.484 -11.378 0.898 1.00 0.00 O ATOM 592 CB ASP A 50 2.392 -13.963 1.983 1.00 0.00 C ATOM 593 CG ASP A 50 2.734 -15.001 3.025 1.00 0.00 C ATOM 594 OD1 ASP A 50 3.659 -14.759 3.838 1.00 0.00 O ATOM 595 OD2 ASP A 50 2.078 -16.064 3.081 1.00 0.00 O ATOM 0 H ASP A 50 -0.267 -13.629 1.800 1.00 0.00 H new ATOM 0 HA ASP A 50 1.840 -12.785 3.598 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.870 -14.440 1.153 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.311 -13.538 1.579 1.00 0.00 H new ATOM 600 N LEU A 51 1.152 -10.553 2.501 1.00 0.00 N ATOM 601 CA LEU A 51 1.308 -9.202 2.164 1.00 0.00 C ATOM 602 C LEU A 51 1.577 -8.474 3.472 1.00 0.00 C ATOM 603 O LEU A 51 0.663 -8.293 4.265 1.00 0.00 O ATOM 604 CB LEU A 51 -0.003 -8.719 1.524 1.00 0.00 C ATOM 605 CG LEU A 51 -0.043 -7.376 0.773 1.00 0.00 C ATOM 606 CD1 LEU A 51 0.216 -6.177 1.641 1.00 0.00 C ATOM 607 CD2 LEU A 51 0.912 -7.410 -0.341 1.00 0.00 C ATOM 0 H LEU A 51 0.478 -10.707 3.251 1.00 0.00 H new ATOM 0 HA LEU A 51 2.120 -9.025 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.327 -9.491 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.751 -8.671 2.315 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.062 -7.259 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.170 -5.272 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.538 -6.127 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.205 -6.261 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.884 -6.459 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.917 -7.580 0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.645 -8.216 -1.024 1.00 0.00 H new ATOM 619 N PRO A 52 2.845 -8.200 3.785 1.00 0.00 N ATOM 620 CA PRO A 52 3.203 -7.398 4.957 1.00 0.00 C ATOM 621 C PRO A 52 2.594 -6.048 4.865 1.00 0.00 C ATOM 622 O PRO A 52 2.776 -5.387 3.870 1.00 0.00 O ATOM 623 CB PRO A 52 4.680 -7.228 4.832 1.00 0.00 C ATOM 624 CG PRO A 52 5.131 -8.384 4.044 1.00 0.00 C ATOM 625 CD PRO A 52 4.030 -8.682 3.080 1.00 0.00 C ATOM 0 HA PRO A 52 2.874 -7.865 5.885 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.929 -6.290 4.335 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.159 -7.207 5.811 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.059 -8.159 3.518 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.328 -9.241 4.687 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.173 -8.167 2.130 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.964 -9.747 2.858 1.00 0.00 H new ATOM 633 N ILE A 53 1.945 -5.636 5.905 1.00 0.00 N ATOM 634 CA ILE A 53 1.203 -4.388 5.912 1.00 0.00 C ATOM 635 C ILE A 53 1.600 -3.565 7.110 1.00 0.00 C ATOM 636 O ILE A 53 1.138 -3.805 8.231 1.00 0.00 O ATOM 637 CB ILE A 53 -0.350 -4.632 5.919 1.00 0.00 C ATOM 638 CG1 ILE A 53 -0.727 -5.484 4.722 1.00 0.00 C ATOM 639 CG2 ILE A 53 -1.141 -3.310 5.890 1.00 0.00 C ATOM 640 CD1 ILE A 53 -2.175 -5.834 4.619 1.00 0.00 C ATOM 0 H ILE A 53 1.906 -6.149 6.786 1.00 0.00 H new ATOM 0 HA ILE A 53 1.449 -3.849 4.997 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.608 -5.146 6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.432 -4.957 3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.149 -6.407 4.757 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.210 -3.525 5.896 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.886 -2.714 6.766 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.888 -2.754 4.987 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.340 -6.444 3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.478 -6.393 5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.766 -4.921 4.547 1.00 0.00 H new ATOM 652 N LEU A 54 2.502 -2.661 6.895 1.00 0.00 N ATOM 653 CA LEU A 54 2.922 -1.751 7.927 1.00 0.00 C ATOM 654 C LEU A 54 2.508 -0.355 7.545 1.00 0.00 C ATOM 655 O LEU A 54 2.713 0.066 6.406 1.00 0.00 O ATOM 656 CB LEU A 54 4.444 -1.814 8.191 1.00 0.00 C ATOM 657 CG LEU A 54 5.010 -3.092 8.854 1.00 0.00 C ATOM 658 CD1 LEU A 54 4.293 -3.402 10.150 1.00 0.00 C ATOM 659 CD2 LEU A 54 4.995 -4.291 7.921 1.00 0.00 C ATOM 0 H LEU A 54 2.972 -2.528 6.000 1.00 0.00 H new ATOM 0 HA LEU A 54 2.437 -2.046 8.857 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.955 -1.677 7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.710 -0.965 8.820 1.00 0.00 H new ATOM 0 HG LEU A 54 6.055 -2.885 9.083 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.714 -4.305 10.591 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.416 -2.569 10.842 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.232 -3.555 9.951 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.403 -5.159 8.438 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.970 -4.500 7.614 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.601 -4.075 7.041 1.00 0.00 H new ATOM 671 N ILE A 55 1.926 0.351 8.476 1.00 0.00 N ATOM 672 CA ILE A 55 1.424 1.678 8.219 1.00 0.00 C ATOM 673 C ILE A 55 2.413 2.719 8.752 1.00 0.00 C ATOM 674 O ILE A 55 2.617 2.865 9.956 1.00 0.00 O ATOM 675 CB ILE A 55 -0.048 1.874 8.781 1.00 0.00 C ATOM 676 CG1 ILE A 55 -0.585 3.312 8.582 1.00 0.00 C ATOM 677 CG2 ILE A 55 -0.157 1.462 10.241 1.00 0.00 C ATOM 678 CD1 ILE A 55 -0.545 3.795 7.163 1.00 0.00 C ATOM 0 H ILE A 55 1.785 0.026 9.433 1.00 0.00 H new ATOM 0 HA ILE A 55 1.342 1.821 7.142 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.679 1.211 8.189 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.614 3.356 8.939 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.003 3.994 9.202 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.180 1.612 10.586 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.110 0.410 10.343 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.521 2.068 10.842 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.939 4.810 7.113 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.484 3.787 6.805 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.152 3.139 6.538 1.00 0.00 H new ATOM 690 N ARG A 56 3.053 3.381 7.837 1.00 0.00 N ATOM 691 CA ARG A 56 4.053 4.387 8.123 1.00 0.00 C ATOM 692 C ARG A 56 3.519 5.743 7.791 1.00 0.00 C ATOM 693 O ARG A 56 2.461 5.861 7.188 1.00 0.00 O ATOM 694 CB ARG A 56 5.335 4.165 7.335 1.00 0.00 C ATOM 695 CG ARG A 56 6.074 2.886 7.685 1.00 0.00 C ATOM 696 CD ARG A 56 7.489 2.910 7.123 1.00 0.00 C ATOM 697 NE ARG A 56 8.242 4.082 7.623 1.00 0.00 N ATOM 698 CZ ARG A 56 9.457 4.484 7.208 1.00 0.00 C ATOM 699 NH1 ARG A 56 10.098 3.829 6.236 1.00 0.00 N ATOM 700 NH2 ARG A 56 10.034 5.530 7.782 1.00 0.00 N ATOM 0 H ARG A 56 2.896 3.239 6.839 1.00 0.00 H new ATOM 0 HA ARG A 56 4.286 4.312 9.185 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.096 4.152 6.272 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.001 5.012 7.502 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.110 2.766 8.768 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.534 2.027 7.286 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.010 1.994 7.401 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.451 2.936 6.034 1.00 0.00 H new ATOM 0 HE ARG A 56 7.797 4.639 8.353 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.667 3.014 5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.019 4.144 5.930 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.557 6.026 8.535 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.955 5.839 7.471 1.00 0.00 H new ATOM 714 N GLU A 57 4.253 6.757 8.136 1.00 0.00 N ATOM 715 CA GLU A 57 3.792 8.098 7.920 1.00 0.00 C ATOM 716 C GLU A 57 4.816 8.960 7.175 1.00 0.00 C ATOM 717 O GLU A 57 6.019 8.899 7.439 1.00 0.00 O ATOM 718 CB GLU A 57 3.348 8.756 9.237 1.00 0.00 C ATOM 719 CG GLU A 57 2.768 10.156 9.063 1.00 0.00 C ATOM 720 CD GLU A 57 2.238 10.740 10.336 1.00 0.00 C ATOM 721 OE1 GLU A 57 3.039 11.242 11.156 1.00 0.00 O ATOM 722 OE2 GLU A 57 1.003 10.712 10.548 1.00 0.00 O ATOM 0 H GLU A 57 5.174 6.683 8.568 1.00 0.00 H new ATOM 0 HA GLU A 57 2.919 8.029 7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.602 8.121 9.716 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.202 8.808 9.912 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.539 10.814 8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.966 10.120 8.326 1.00 0.00 H new ATOM 729 N CYS A 58 4.294 9.701 6.220 1.00 0.00 N ATOM 730 CA CYS A 58 4.989 10.715 5.432 1.00 0.00 C ATOM 731 C CYS A 58 6.285 10.311 4.731 1.00 0.00 C ATOM 732 O CYS A 58 6.352 9.188 4.183 1.00 0.00 O ATOM 733 CB CYS A 58 5.032 12.034 6.185 1.00 0.00 C ATOM 734 SG CYS A 58 3.378 12.775 6.221 1.00 0.00 S ATOM 0 H CYS A 58 3.314 9.611 5.952 1.00 0.00 H new ATOM 0 HA CYS A 58 4.372 10.855 4.544 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.390 11.871 7.202 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.735 12.715 5.705 1.00 0.00 H new ATOM 739 N SER A 59 7.210 11.292 4.585 1.00 0.00 N ATOM 740 CA SER A 59 8.535 11.152 3.961 1.00 0.00 C ATOM 741 C SER A 59 8.584 11.467 2.429 1.00 0.00 C ATOM 742 O SER A 59 9.674 11.494 1.843 1.00 0.00 O ATOM 743 CB SER A 59 9.215 9.817 4.313 1.00 0.00 C ATOM 744 OG SER A 59 9.365 9.662 5.732 1.00 0.00 O ATOM 0 H SER A 59 7.038 12.241 4.916 1.00 0.00 H new ATOM 0 HA SER A 59 9.129 11.946 4.414 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.625 8.991 3.916 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.193 9.769 3.835 1.00 0.00 H new ATOM 0 HG SER A 59 9.798 8.804 5.923 1.00 0.00 H new ATOM 750 N ASP A 60 7.422 11.727 1.785 1.00 0.00 N ATOM 751 CA ASP A 60 7.377 12.078 0.344 1.00 0.00 C ATOM 752 C ASP A 60 6.197 13.030 0.161 1.00 0.00 C ATOM 753 O ASP A 60 6.002 13.898 0.995 1.00 0.00 O ATOM 754 CB ASP A 60 7.156 10.826 -0.516 1.00 0.00 C ATOM 755 CG ASP A 60 8.243 9.778 -0.437 1.00 0.00 C ATOM 756 OD1 ASP A 60 9.175 9.819 -1.250 1.00 0.00 O ATOM 757 OD2 ASP A 60 8.138 8.849 0.407 1.00 0.00 O ATOM 0 H ASP A 60 6.508 11.701 2.236 1.00 0.00 H new ATOM 0 HA ASP A 60 8.318 12.533 0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.212 10.367 -0.222 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.050 11.136 -1.556 1.00 0.00 H new ATOM 762 N VAL A 61 5.409 12.894 -0.910 1.00 0.00 N ATOM 763 CA VAL A 61 4.183 13.695 -1.027 1.00 0.00 C ATOM 764 C VAL A 61 3.144 13.270 0.016 1.00 0.00 C ATOM 765 O VAL A 61 2.817 14.031 0.915 1.00 0.00 O ATOM 766 CB VAL A 61 3.514 13.642 -2.452 1.00 0.00 C ATOM 767 CG1 VAL A 61 2.127 14.286 -2.439 1.00 0.00 C ATOM 768 CG2 VAL A 61 4.348 14.363 -3.471 1.00 0.00 C ATOM 0 H VAL A 61 5.588 12.258 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 61 4.505 14.722 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 61 3.431 12.588 -2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.692 14.233 -3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.486 13.755 -1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.213 15.329 -2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.860 14.309 -4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.459 15.407 -3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.332 13.897 -3.532 1.00 0.00 H new ATOM 778 N GLN A 62 2.703 12.018 -0.048 1.00 0.00 N ATOM 779 CA GLN A 62 1.540 11.616 0.754 1.00 0.00 C ATOM 780 C GLN A 62 1.311 10.071 0.812 1.00 0.00 C ATOM 781 O GLN A 62 1.685 9.467 1.802 1.00 0.00 O ATOM 782 CB GLN A 62 0.263 12.359 0.276 1.00 0.00 C ATOM 783 CG GLN A 62 -1.004 12.055 1.053 1.00 0.00 C ATOM 784 CD GLN A 62 -1.374 13.140 2.029 1.00 0.00 C ATOM 785 OE1 GLN A 62 -0.516 13.842 2.585 1.00 0.00 O ATOM 786 NE2 GLN A 62 -2.642 13.293 2.243 1.00 0.00 N ATOM 0 H GLN A 62 3.112 11.282 -0.624 1.00 0.00 H new ATOM 0 HA GLN A 62 1.762 11.913 1.779 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.449 13.432 0.325 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.093 12.113 -0.772 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.826 11.909 0.353 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.875 11.117 1.593 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.316 12.694 1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.967 14.012 2.889 1.00 0.00 H new ATOM 795 N PRO A 63 0.783 9.391 -0.271 1.00 0.00 N ATOM 796 CA PRO A 63 0.347 7.987 -0.210 1.00 0.00 C ATOM 797 C PRO A 63 1.291 7.034 -0.940 1.00 0.00 C ATOM 798 O PRO A 63 0.997 6.601 -2.035 1.00 0.00 O ATOM 799 CB PRO A 63 -0.942 8.073 -1.027 1.00 0.00 C ATOM 800 CG PRO A 63 -0.669 9.137 -2.074 1.00 0.00 C ATOM 801 CD PRO A 63 0.571 9.890 -1.641 1.00 0.00 C ATOM 0 HA PRO A 63 0.278 7.613 0.811 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.181 7.115 -1.490 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.791 8.345 -0.399 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.520 8.682 -3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.518 9.815 -2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.422 9.676 -2.287 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.419 10.969 -1.661 1.00 0.00 H new ATOM 809 N LYS A 64 2.376 6.687 -0.358 1.00 0.00 N ATOM 810 CA LYS A 64 3.354 5.911 -1.109 1.00 0.00 C ATOM 811 C LYS A 64 3.313 4.477 -0.690 1.00 0.00 C ATOM 812 O LYS A 64 3.143 4.166 0.497 1.00 0.00 O ATOM 813 CB LYS A 64 4.796 6.430 -0.938 1.00 0.00 C ATOM 814 CG LYS A 64 5.084 7.900 -1.296 1.00 0.00 C ATOM 815 CD LYS A 64 4.438 8.880 -0.329 1.00 0.00 C ATOM 816 CE LYS A 64 5.005 8.687 1.071 1.00 0.00 C ATOM 817 NZ LYS A 64 4.363 9.512 2.112 1.00 0.00 N ATOM 0 H LYS A 64 2.628 6.907 0.606 1.00 0.00 H new ATOM 0 HA LYS A 64 3.080 6.016 -2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.084 6.277 0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.450 5.804 -1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.162 8.062 -1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.723 8.101 -2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.615 9.902 -0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.358 8.731 -0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.908 7.637 1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.071 8.914 1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.785 9.294 3.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.506 10.519 1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.344 9.305 2.139 1.00 0.00 H new ATOM 831 N LEU A 65 3.523 3.629 -1.645 1.00 0.00 N ATOM 832 CA LEU A 65 3.466 2.224 -1.446 1.00 0.00 C ATOM 833 C LEU A 65 4.840 1.699 -1.390 1.00 0.00 C ATOM 834 O LEU A 65 5.480 1.606 -2.427 1.00 0.00 O ATOM 835 CB LEU A 65 2.813 1.603 -2.645 1.00 0.00 C ATOM 836 CG LEU A 65 2.325 0.156 -2.486 1.00 0.00 C ATOM 837 CD1 LEU A 65 1.404 0.021 -1.282 1.00 0.00 C ATOM 838 CD2 LEU A 65 1.622 -0.299 -3.755 1.00 0.00 C ATOM 0 H LEU A 65 3.743 3.903 -2.602 1.00 0.00 H new ATOM 0 HA LEU A 65 2.919 2.002 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.961 2.221 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.520 1.636 -3.474 1.00 0.00 H new ATOM 0 HG LEU A 65 3.191 -0.484 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.072 -1.013 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.941 0.310 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.538 0.670 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.279 -1.327 -3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.767 0.348 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.315 -0.245 -4.594 1.00 0.00 H new ATOM 850 N TRP A 66 5.340 1.420 -0.238 1.00 0.00 N ATOM 851 CA TRP A 66 6.623 0.824 -0.204 1.00 0.00 C ATOM 852 C TRP A 66 6.466 -0.667 -0.366 1.00 0.00 C ATOM 853 O TRP A 66 5.769 -1.304 0.410 1.00 0.00 O ATOM 854 CB TRP A 66 7.418 1.152 1.082 1.00 0.00 C ATOM 855 CG TRP A 66 8.594 0.241 1.291 1.00 0.00 C ATOM 856 CD1 TRP A 66 8.718 -0.780 2.196 1.00 0.00 C ATOM 857 CD2 TRP A 66 9.765 0.237 0.530 1.00 0.00 C ATOM 858 NE1 TRP A 66 9.927 -1.402 2.028 1.00 0.00 N ATOM 859 CE2 TRP A 66 10.587 -0.782 1.000 1.00 0.00 C ATOM 860 CE3 TRP A 66 10.192 1.011 -0.503 1.00 0.00 C ATOM 861 CZ2 TRP A 66 11.824 -1.024 0.435 1.00 0.00 C ATOM 862 CZ3 TRP A 66 11.389 0.777 -1.057 1.00 0.00 C ATOM 863 CH2 TRP A 66 12.190 -0.209 -0.608 1.00 0.00 C ATOM 0 H TRP A 66 4.896 1.589 0.665 1.00 0.00 H new ATOM 0 HA TRP A 66 7.206 1.241 -1.025 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.768 2.183 1.034 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.753 1.081 1.942 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.975 -1.053 2.931 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.275 -2.190 2.574 1.00 0.00 H new ATOM 0 HE3 TRP A 66 9.569 1.811 -0.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.469 -1.812 0.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 11.719 1.392 -1.881 1.00 0.00 H new ATOM 0 HH2 TRP A 66 13.148 -0.363 -1.082 1.00 0.00 H new ATOM 874 N ALA A 67 7.095 -1.186 -1.351 1.00 0.00 N ATOM 875 CA ALA A 67 7.091 -2.566 -1.620 1.00 0.00 C ATOM 876 C ALA A 67 8.506 -3.049 -1.714 1.00 0.00 C ATOM 877 O ALA A 67 9.384 -2.341 -2.237 1.00 0.00 O ATOM 878 CB ALA A 67 6.361 -2.853 -2.913 1.00 0.00 C ATOM 0 H ALA A 67 7.645 -0.640 -2.014 1.00 0.00 H new ATOM 0 HA ALA A 67 6.575 -3.087 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.368 -3.926 -3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.331 -2.505 -2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.857 -2.335 -3.734 1.00 0.00 H new ATOM 884 N ARG A 68 8.726 -4.216 -1.207 1.00 0.00 N ATOM 885 CA ARG A 68 9.952 -4.874 -1.279 1.00 0.00 C ATOM 886 C ARG A 68 9.559 -6.304 -1.526 1.00 0.00 C ATOM 887 O ARG A 68 9.127 -7.033 -0.638 1.00 0.00 O ATOM 888 CB ARG A 68 10.779 -4.743 0.003 1.00 0.00 C ATOM 889 CG ARG A 68 12.219 -5.136 -0.223 1.00 0.00 C ATOM 890 CD ARG A 68 12.991 -4.032 -0.959 1.00 0.00 C ATOM 891 NE ARG A 68 14.066 -4.580 -1.799 1.00 0.00 N ATOM 892 CZ ARG A 68 15.006 -3.858 -2.407 1.00 0.00 C ATOM 893 NH1 ARG A 68 15.318 -2.646 -1.953 1.00 0.00 N ATOM 894 NH2 ARG A 68 15.692 -4.389 -3.418 1.00 0.00 N ATOM 0 H ARG A 68 8.010 -4.747 -0.711 1.00 0.00 H new ATOM 0 HA ARG A 68 10.594 -4.454 -2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.734 -3.715 0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.347 -5.372 0.781 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.697 -5.340 0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.260 -6.059 -0.802 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.302 -3.459 -1.580 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.416 -3.340 -0.232 1.00 0.00 H new ATOM 0 HE ARG A 68 14.094 -5.592 -1.926 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.837 -2.268 -1.137 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.038 -2.096 -2.421 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.496 -5.343 -3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.413 -3.842 -3.888 1.00 0.00 H new ATOM 908 N TYR A 69 9.571 -6.630 -2.733 1.00 0.00 N ATOM 909 CA TYR A 69 9.075 -7.915 -3.214 1.00 0.00 C ATOM 910 C TYR A 69 10.122 -9.003 -3.001 1.00 0.00 C ATOM 911 O TYR A 69 11.278 -8.718 -2.774 1.00 0.00 O ATOM 912 CB TYR A 69 8.815 -7.856 -4.730 1.00 0.00 C ATOM 913 CG TYR A 69 8.109 -6.626 -5.243 1.00 0.00 C ATOM 914 CD1 TYR A 69 6.775 -6.461 -5.065 1.00 0.00 C ATOM 915 CD2 TYR A 69 8.800 -5.644 -5.938 1.00 0.00 C ATOM 916 CE1 TYR A 69 6.119 -5.359 -5.551 1.00 0.00 C ATOM 917 CE2 TYR A 69 8.159 -4.526 -6.428 1.00 0.00 C ATOM 918 CZ TYR A 69 6.807 -4.393 -6.230 1.00 0.00 C ATOM 919 OH TYR A 69 6.139 -3.299 -6.721 1.00 0.00 O ATOM 0 H TYR A 69 9.927 -6.024 -3.472 1.00 0.00 H new ATOM 0 HA TYR A 69 8.160 -8.134 -2.664 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.773 -7.939 -5.244 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.226 -8.729 -5.010 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.217 -7.214 -4.529 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.862 -5.758 -6.099 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.055 -5.254 -5.397 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.712 -3.766 -6.960 1.00 0.00 H new ATOM 0 HH TYR A 69 6.773 -2.706 -7.177 1.00 0.00 H new ATOM 929 N ALA A 70 9.709 -10.258 -3.152 1.00 0.00 N ATOM 930 CA ALA A 70 10.651 -11.392 -3.111 1.00 0.00 C ATOM 931 C ALA A 70 11.105 -11.703 -4.503 1.00 0.00 C ATOM 932 O ALA A 70 11.782 -12.689 -4.761 1.00 0.00 O ATOM 933 CB ALA A 70 10.050 -12.598 -2.446 1.00 0.00 C ATOM 0 H ALA A 70 8.736 -10.523 -3.303 1.00 0.00 H new ATOM 0 HA ALA A 70 11.513 -11.109 -2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.778 -13.409 -2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.773 -12.348 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.163 -12.912 -2.996 1.00 0.00 H new ATOM 939 N PHE A 71 10.699 -10.853 -5.401 1.00 0.00 N ATOM 940 CA PHE A 71 11.261 -10.813 -6.707 1.00 0.00 C ATOM 941 C PHE A 71 12.541 -9.988 -6.561 1.00 0.00 C ATOM 942 O PHE A 71 13.366 -9.902 -7.447 1.00 0.00 O ATOM 943 CB PHE A 71 10.269 -10.184 -7.686 1.00 0.00 C ATOM 944 CG PHE A 71 8.975 -10.958 -7.762 1.00 0.00 C ATOM 945 CD1 PHE A 71 8.891 -12.125 -8.504 1.00 0.00 C ATOM 946 CD2 PHE A 71 7.856 -10.536 -7.071 1.00 0.00 C ATOM 947 CE1 PHE A 71 7.719 -12.848 -8.558 1.00 0.00 C ATOM 948 CE2 PHE A 71 6.682 -11.261 -7.119 1.00 0.00 C ATOM 949 CZ PHE A 71 6.613 -12.416 -7.865 1.00 0.00 C ATOM 0 H PHE A 71 9.963 -10.166 -5.240 1.00 0.00 H new ATOM 0 HA PHE A 71 11.483 -11.802 -7.107 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.060 -9.159 -7.380 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.720 -10.135 -8.677 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.757 -12.473 -9.048 1.00 0.00 H new ATOM 0 HD2 PHE A 71 7.900 -9.629 -6.487 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.669 -13.754 -9.144 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.816 -10.921 -6.570 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.693 -12.981 -7.906 1.00 0.00 H new ATOM 959 N GLY A 72 12.647 -9.371 -5.374 1.00 0.00 N ATOM 960 CA GLY A 72 13.822 -8.696 -4.930 1.00 0.00 C ATOM 961 C GLY A 72 13.922 -7.256 -5.365 1.00 0.00 C ATOM 962 O GLY A 72 14.907 -6.571 -5.071 1.00 0.00 O ATOM 0 H GLY A 72 11.884 -9.341 -4.697 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.858 -8.736 -3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.695 -9.234 -5.298 1.00 0.00 H new ATOM 966 N GLN A 73 12.915 -6.788 -6.072 1.00 0.00 N ATOM 967 CA GLN A 73 12.844 -5.389 -6.443 1.00 0.00 C ATOM 968 C GLN A 73 12.064 -4.629 -5.389 1.00 0.00 C ATOM 969 O GLN A 73 11.423 -5.240 -4.503 1.00 0.00 O ATOM 970 CB GLN A 73 12.220 -5.158 -7.839 1.00 0.00 C ATOM 971 CG GLN A 73 13.206 -5.066 -9.029 1.00 0.00 C ATOM 972 CD GLN A 73 13.831 -6.380 -9.514 1.00 0.00 C ATOM 973 OE1 GLN A 73 14.070 -7.310 -8.652 1.00 0.00 O flip ATOM 974 NE2 GLN A 73 14.133 -6.515 -10.692 1.00 0.00 N flip ATOM 0 H GLN A 73 12.134 -7.355 -6.402 1.00 0.00 H new ATOM 0 HA GLN A 73 13.868 -5.019 -6.500 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.519 -5.969 -8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.639 -4.236 -7.805 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.683 -4.609 -9.869 1.00 0.00 H new ATOM 0 HG3 GLN A 73 14.013 -4.389 -8.749 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.936 -5.768 -11.358 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.582 -7.375 -11.008 1.00 0.00 H new ATOM 983 N GLU A 74 12.105 -3.341 -5.471 1.00 0.00 N ATOM 984 CA GLU A 74 11.428 -2.492 -4.550 1.00 0.00 C ATOM 985 C GLU A 74 10.643 -1.444 -5.305 1.00 0.00 C ATOM 986 O GLU A 74 10.713 -1.376 -6.538 1.00 0.00 O ATOM 987 CB GLU A 74 12.437 -1.781 -3.637 1.00 0.00 C ATOM 988 CG GLU A 74 13.329 -0.732 -4.325 1.00 0.00 C ATOM 989 CD GLU A 74 14.330 -1.304 -5.319 1.00 0.00 C ATOM 990 OE1 GLU A 74 13.946 -1.652 -6.447 1.00 0.00 O ATOM 991 OE2 GLU A 74 15.528 -1.382 -4.983 1.00 0.00 O ATOM 0 H GLU A 74 12.620 -2.840 -6.195 1.00 0.00 H new ATOM 0 HA GLU A 74 10.758 -3.104 -3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.890 -1.294 -2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.079 -2.533 -3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.691 -0.016 -4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.873 -0.179 -3.559 1.00 0.00 H new ATOM 998 N THR A 75 9.900 -0.660 -4.572 1.00 0.00 N ATOM 999 CA THR A 75 9.213 0.480 -5.088 1.00 0.00 C ATOM 1000 C THR A 75 8.628 1.184 -3.872 1.00 0.00 C ATOM 1001 O THR A 75 8.394 0.545 -2.870 1.00 0.00 O ATOM 1002 CB THR A 75 8.091 0.075 -6.125 1.00 0.00 C ATOM 1003 OG1 THR A 75 7.728 1.191 -6.954 1.00 0.00 O ATOM 1004 CG2 THR A 75 6.831 -0.436 -5.439 1.00 0.00 C ATOM 0 H THR A 75 9.756 -0.805 -3.573 1.00 0.00 H new ATOM 0 HA THR A 75 9.888 1.132 -5.643 1.00 0.00 H new ATOM 0 HB THR A 75 8.515 -0.725 -6.732 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.034 0.915 -7.588 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.089 -0.702 -6.192 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.073 -1.315 -4.842 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.428 0.343 -4.792 1.00 0.00 H new ATOM 1012 N ASN A 76 8.503 2.464 -3.914 1.00 0.00 N ATOM 1013 CA ASN A 76 7.895 3.217 -2.827 1.00 0.00 C ATOM 1014 C ASN A 76 7.101 4.340 -3.420 1.00 0.00 C ATOM 1015 O ASN A 76 7.617 5.436 -3.634 1.00 0.00 O ATOM 1016 CB ASN A 76 8.938 3.689 -1.759 1.00 0.00 C ATOM 1017 CG ASN A 76 10.235 4.288 -2.325 1.00 0.00 C ATOM 1018 OD1 ASN A 76 11.311 3.477 -2.431 1.00 0.00 O flip ATOM 1019 ND2 ASN A 76 10.309 5.485 -2.587 1.00 0.00 N flip ATOM 0 H ASN A 76 8.815 3.038 -4.697 1.00 0.00 H new ATOM 0 HA ASN A 76 7.222 2.568 -2.267 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.465 4.432 -1.117 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.196 2.839 -1.127 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.484 6.078 -2.500 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.196 5.886 -2.892 1.00 0.00 H new ATOM 1026 N VAL A 77 5.817 4.086 -3.699 1.00 0.00 N ATOM 1027 CA VAL A 77 5.153 5.030 -4.616 1.00 0.00 C ATOM 1028 C VAL A 77 3.716 5.433 -4.391 1.00 0.00 C ATOM 1029 O VAL A 77 2.865 4.620 -4.073 1.00 0.00 O ATOM 1030 CB VAL A 77 5.411 4.601 -6.053 1.00 0.00 C ATOM 1031 CG1 VAL A 77 5.063 3.132 -6.284 1.00 0.00 C ATOM 1032 CG2 VAL A 77 4.802 5.498 -7.136 1.00 0.00 C ATOM 0 H VAL A 77 5.256 3.312 -3.344 1.00 0.00 H new ATOM 0 HA VAL A 77 5.633 5.976 -4.366 1.00 0.00 H new ATOM 0 HB VAL A 77 6.487 4.729 -6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.263 2.870 -7.323 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.670 2.507 -5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.008 2.969 -6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.048 5.099 -8.120 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.719 5.528 -7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.205 6.506 -7.042 1.00 0.00 H new ATOM 1042 N PRO A 78 3.497 6.765 -4.518 1.00 0.00 N ATOM 1043 CA PRO A 78 2.200 7.418 -4.492 1.00 0.00 C ATOM 1044 C PRO A 78 1.202 6.697 -5.338 1.00 0.00 C ATOM 1045 O PRO A 78 1.296 6.636 -6.566 1.00 0.00 O ATOM 1046 CB PRO A 78 2.490 8.810 -5.022 1.00 0.00 C ATOM 1047 CG PRO A 78 3.876 9.055 -4.579 1.00 0.00 C ATOM 1048 CD PRO A 78 4.568 7.732 -4.694 1.00 0.00 C ATOM 0 HA PRO A 78 1.756 7.434 -3.497 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.400 8.855 -6.107 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.800 9.549 -4.614 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.360 9.808 -5.201 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.902 9.424 -3.554 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.055 7.618 -5.662 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.340 7.617 -3.933 1.00 0.00 H new ATOM 1056 N LEU A 79 0.296 6.117 -4.654 1.00 0.00 N ATOM 1057 CA LEU A 79 -0.733 5.304 -5.197 1.00 0.00 C ATOM 1058 C LEU A 79 -2.070 6.067 -5.200 1.00 0.00 C ATOM 1059 O LEU A 79 -3.155 5.490 -5.311 1.00 0.00 O ATOM 1060 CB LEU A 79 -0.739 4.008 -4.360 1.00 0.00 C ATOM 1061 CG LEU A 79 -0.820 4.124 -2.817 1.00 0.00 C ATOM 1062 CD1 LEU A 79 -2.118 4.730 -2.359 1.00 0.00 C ATOM 1063 CD2 LEU A 79 -0.664 2.760 -2.194 1.00 0.00 C ATOM 0 H LEU A 79 0.244 6.198 -3.639 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.566 5.045 -6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.583 3.403 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.166 3.452 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.012 4.783 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.127 4.790 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.221 5.731 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.948 4.109 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.722 2.847 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.460 2.105 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.302 2.341 -2.474 1.00 0.00 H new ATOM 1075 N ASN A 80 -1.937 7.382 -5.130 1.00 0.00 N ATOM 1076 CA ASN A 80 -3.047 8.361 -5.031 1.00 0.00 C ATOM 1077 C ASN A 80 -4.161 8.209 -6.085 1.00 0.00 C ATOM 1078 O ASN A 80 -5.320 8.548 -5.830 1.00 0.00 O ATOM 1079 CB ASN A 80 -2.469 9.794 -5.034 1.00 0.00 C ATOM 1080 CG ASN A 80 -3.496 10.888 -5.279 1.00 0.00 C ATOM 1081 OD1 ASN A 80 -3.772 11.243 -6.420 1.00 0.00 O ATOM 1082 ND2 ASN A 80 -4.017 11.458 -4.241 1.00 0.00 N ATOM 0 H ASN A 80 -1.021 7.831 -5.140 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.548 8.149 -4.087 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.983 9.978 -4.076 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.697 9.859 -5.801 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.678 12.226 -4.359 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.767 11.139 -3.305 1.00 0.00 H new ATOM 1089 N ASN A 81 -3.822 7.676 -7.205 1.00 0.00 N ATOM 1090 CA ASN A 81 -4.758 7.574 -8.342 1.00 0.00 C ATOM 1091 C ASN A 81 -5.666 6.351 -8.301 1.00 0.00 C ATOM 1092 O ASN A 81 -6.434 6.118 -9.232 1.00 0.00 O ATOM 1093 CB ASN A 81 -4.027 7.659 -9.691 1.00 0.00 C ATOM 1094 CG ASN A 81 -3.488 9.048 -9.973 1.00 0.00 C ATOM 1095 OD1 ASN A 81 -4.163 9.888 -10.581 1.00 0.00 O ATOM 1096 ND2 ASN A 81 -2.286 9.309 -9.543 1.00 0.00 N ATOM 0 H ASN A 81 -2.896 7.290 -7.390 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.413 8.439 -8.239 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.204 6.945 -9.700 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.710 7.369 -10.490 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.875 10.228 -9.704 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.756 8.594 -9.045 1.00 0.00 H new ATOM 1103 N PHE A 82 -5.611 5.586 -7.244 1.00 0.00 N ATOM 1104 CA PHE A 82 -6.473 4.446 -7.106 1.00 0.00 C ATOM 1105 C PHE A 82 -7.381 4.676 -5.931 1.00 0.00 C ATOM 1106 O PHE A 82 -7.206 5.633 -5.182 1.00 0.00 O ATOM 1107 CB PHE A 82 -5.671 3.154 -6.909 1.00 0.00 C ATOM 1108 CG PHE A 82 -4.717 2.818 -8.017 1.00 0.00 C ATOM 1109 CD1 PHE A 82 -5.175 2.256 -9.195 1.00 0.00 C ATOM 1110 CD2 PHE A 82 -3.357 3.060 -7.876 1.00 0.00 C ATOM 1111 CE1 PHE A 82 -4.300 1.941 -10.214 1.00 0.00 C ATOM 1112 CE2 PHE A 82 -2.478 2.746 -8.890 1.00 0.00 C ATOM 1113 CZ PHE A 82 -2.950 2.186 -10.061 1.00 0.00 C ATOM 0 H PHE A 82 -4.973 5.734 -6.462 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.056 4.329 -8.020 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.109 3.233 -5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.370 2.326 -6.790 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.230 2.061 -9.319 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.984 3.499 -6.962 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.670 1.504 -11.129 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.422 2.937 -8.769 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.263 1.940 -10.857 1.00 0.00 H new ATOM 1123 N SER A 83 -8.361 3.859 -5.821 1.00 0.00 N ATOM 1124 CA SER A 83 -9.314 3.880 -4.723 1.00 0.00 C ATOM 1125 C SER A 83 -9.015 2.721 -3.745 1.00 0.00 C ATOM 1126 O SER A 83 -8.051 2.033 -3.947 1.00 0.00 O ATOM 1127 CB SER A 83 -10.716 3.807 -5.299 1.00 0.00 C ATOM 1128 OG SER A 83 -11.074 5.033 -5.949 1.00 0.00 O ATOM 0 H SER A 83 -8.547 3.125 -6.504 1.00 0.00 H new ATOM 0 HA SER A 83 -9.229 4.804 -4.152 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.777 2.984 -6.011 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.429 3.593 -4.502 1.00 0.00 H new ATOM 0 HG SER A 83 -11.981 4.958 -6.312 1.00 0.00 H new ATOM 1134 N ALA A 84 -9.848 2.518 -2.712 1.00 0.00 N ATOM 1135 CA ALA A 84 -9.607 1.503 -1.653 1.00 0.00 C ATOM 1136 C ALA A 84 -9.312 0.084 -2.223 1.00 0.00 C ATOM 1137 O ALA A 84 -8.185 -0.500 -2.088 1.00 0.00 O ATOM 1138 CB ALA A 84 -10.847 1.400 -0.786 1.00 0.00 C ATOM 0 H ALA A 84 -10.709 3.048 -2.580 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.732 1.831 -1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.684 0.658 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.054 2.368 -0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.696 1.099 -1.400 1.00 0.00 H new ATOM 1144 N ASP A 85 -10.318 -0.446 -2.886 1.00 0.00 N ATOM 1145 CA ASP A 85 -10.287 -1.785 -3.453 1.00 0.00 C ATOM 1146 C ASP A 85 -9.212 -1.828 -4.498 1.00 0.00 C ATOM 1147 O ASP A 85 -8.400 -2.756 -4.541 1.00 0.00 O ATOM 1148 CB ASP A 85 -11.637 -2.138 -4.112 1.00 0.00 C ATOM 1149 CG ASP A 85 -12.837 -1.924 -3.207 1.00 0.00 C ATOM 1150 OD1 ASP A 85 -13.209 -0.742 -2.963 1.00 0.00 O ATOM 1151 OD2 ASP A 85 -13.455 -2.909 -2.754 1.00 0.00 O ATOM 0 H ASP A 85 -11.196 0.046 -3.051 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.093 -2.504 -2.657 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.760 -1.535 -5.011 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.614 -3.181 -4.429 1.00 0.00 H new ATOM 1156 N GLN A 86 -9.168 -0.775 -5.293 1.00 0.00 N ATOM 1157 CA GLN A 86 -8.199 -0.643 -6.359 1.00 0.00 C ATOM 1158 C GLN A 86 -6.783 -0.583 -5.898 1.00 0.00 C ATOM 1159 O GLN A 86 -5.963 -1.216 -6.507 1.00 0.00 O ATOM 1160 CB GLN A 86 -8.530 0.476 -7.325 1.00 0.00 C ATOM 1161 CG GLN A 86 -9.107 -0.032 -8.624 1.00 0.00 C ATOM 1162 CD GLN A 86 -8.127 -0.954 -9.322 1.00 0.00 C ATOM 1163 OE1 GLN A 86 -8.127 -2.161 -9.109 1.00 0.00 O ATOM 1164 NE2 GLN A 86 -7.298 -0.410 -10.151 1.00 0.00 N ATOM 0 H GLN A 86 -9.808 0.015 -5.215 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.283 -1.577 -6.914 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -9.241 1.157 -6.857 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.628 1.051 -7.533 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.039 -0.563 -8.430 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.349 0.809 -9.274 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.321 0.598 -10.308 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.620 -0.988 -10.648 1.00 0.00 H new ATOM 1173 N VAL A 87 -6.478 0.149 -4.833 1.00 0.00 N ATOM 1174 CA VAL A 87 -5.127 0.138 -4.334 1.00 0.00 C ATOM 1175 C VAL A 87 -4.775 -1.258 -3.917 1.00 0.00 C ATOM 1176 O VAL A 87 -3.780 -1.771 -4.344 1.00 0.00 O ATOM 1177 CB VAL A 87 -4.779 1.182 -3.194 1.00 0.00 C ATOM 1178 CG1 VAL A 87 -4.872 2.605 -3.671 1.00 0.00 C ATOM 1179 CG2 VAL A 87 -5.622 1.006 -1.980 1.00 0.00 C ATOM 0 H VAL A 87 -7.132 0.738 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.509 0.476 -5.166 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.743 0.975 -2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.624 3.280 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.173 2.760 -4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.886 2.808 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.341 1.747 -1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.672 1.136 -2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.471 0.006 -1.574 1.00 0.00 H new ATOM 1189 N THR A 88 -5.663 -1.930 -3.186 1.00 0.00 N ATOM 1190 CA THR A 88 -5.331 -3.282 -2.735 1.00 0.00 C ATOM 1191 C THR A 88 -5.213 -4.320 -3.858 1.00 0.00 C ATOM 1192 O THR A 88 -4.367 -5.237 -3.811 1.00 0.00 O ATOM 1193 CB THR A 88 -6.242 -3.746 -1.621 1.00 0.00 C ATOM 1194 OG1 THR A 88 -7.613 -3.666 -2.029 1.00 0.00 O ATOM 1195 CG2 THR A 88 -6.037 -2.864 -0.432 1.00 0.00 C ATOM 0 H THR A 88 -6.579 -1.582 -2.903 1.00 0.00 H new ATOM 0 HA THR A 88 -4.323 -3.202 -2.328 1.00 0.00 H new ATOM 0 HB THR A 88 -6.006 -4.781 -1.375 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.660 -3.381 -2.965 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.689 -3.189 0.379 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.998 -2.925 -0.109 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.274 -1.834 -0.698 1.00 0.00 H new ATOM 1203 N ARG A 89 -6.002 -4.144 -4.861 1.00 0.00 N ATOM 1204 CA ARG A 89 -5.988 -5.030 -6.008 1.00 0.00 C ATOM 1205 C ARG A 89 -4.781 -4.708 -6.861 1.00 0.00 C ATOM 1206 O ARG A 89 -4.114 -5.602 -7.366 1.00 0.00 O ATOM 1207 CB ARG A 89 -7.308 -4.945 -6.802 1.00 0.00 C ATOM 1208 CG ARG A 89 -7.366 -5.851 -8.024 1.00 0.00 C ATOM 1209 CD ARG A 89 -8.776 -5.938 -8.605 1.00 0.00 C ATOM 1210 NE ARG A 89 -9.302 -4.662 -9.114 1.00 0.00 N ATOM 1211 CZ ARG A 89 -10.615 -4.362 -9.226 1.00 0.00 C ATOM 1212 NH1 ARG A 89 -11.535 -5.139 -8.654 1.00 0.00 N ATOM 1213 NH2 ARG A 89 -11.001 -3.272 -9.882 1.00 0.00 N ATOM 0 H ARG A 89 -6.681 -3.386 -4.924 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.909 -6.063 -5.670 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.134 -5.198 -6.138 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.460 -3.914 -7.122 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.682 -5.476 -8.786 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.024 -6.849 -7.752 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -8.778 -6.667 -9.415 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.450 -6.314 -7.836 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.628 -3.953 -9.403 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.249 -5.965 -8.128 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.524 -4.907 -8.742 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.305 -2.657 -10.304 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.993 -3.050 -9.963 1.00 0.00 H new ATOM 1227 N ALA A 90 -4.483 -3.425 -6.985 1.00 0.00 N ATOM 1228 CA ALA A 90 -3.275 -2.986 -7.670 1.00 0.00 C ATOM 1229 C ALA A 90 -2.061 -3.478 -6.921 1.00 0.00 C ATOM 1230 O ALA A 90 -1.083 -3.817 -7.553 1.00 0.00 O ATOM 1231 CB ALA A 90 -3.226 -1.474 -7.847 1.00 0.00 C ATOM 0 H ALA A 90 -5.061 -2.667 -6.620 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.284 -3.416 -8.672 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.306 -1.198 -8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.084 -1.149 -8.435 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.253 -0.992 -6.870 1.00 0.00 H new ATOM 1237 N LEU A 91 -2.127 -3.516 -5.555 1.00 0.00 N ATOM 1238 CA LEU A 91 -1.065 -4.156 -4.766 1.00 0.00 C ATOM 1239 C LEU A 91 -0.883 -5.542 -5.253 1.00 0.00 C ATOM 1240 O LEU A 91 0.157 -5.882 -5.741 1.00 0.00 O ATOM 1241 CB LEU A 91 -1.307 -4.240 -3.214 1.00 0.00 C ATOM 1242 CG LEU A 91 -0.799 -3.088 -2.313 1.00 0.00 C ATOM 1243 CD1 LEU A 91 -1.440 -1.767 -2.623 1.00 0.00 C ATOM 1244 CD2 LEU A 91 -0.993 -3.441 -0.850 1.00 0.00 C ATOM 0 H LEU A 91 -2.888 -3.119 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.194 -3.515 -4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.381 -4.335 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.848 -5.163 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 91 0.264 -2.972 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.040 -1.003 -1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.228 -1.493 -3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.518 -1.844 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.632 -2.623 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.052 -3.607 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.435 -4.348 -0.617 1.00 0.00 H new ATOM 1256 N GLU A 92 -1.932 -6.313 -5.203 1.00 0.00 N ATOM 1257 CA GLU A 92 -1.830 -7.734 -5.528 1.00 0.00 C ATOM 1258 C GLU A 92 -1.335 -7.922 -6.961 1.00 0.00 C ATOM 1259 O GLU A 92 -0.495 -8.806 -7.228 1.00 0.00 O ATOM 1260 CB GLU A 92 -3.156 -8.449 -5.272 1.00 0.00 C ATOM 1261 CG GLU A 92 -3.069 -9.970 -5.221 1.00 0.00 C ATOM 1262 CD GLU A 92 -2.376 -10.506 -3.982 1.00 0.00 C ATOM 1263 OE1 GLU A 92 -1.274 -10.053 -3.643 1.00 0.00 O ATOM 1264 OE2 GLU A 92 -2.909 -11.453 -3.354 1.00 0.00 O ATOM 0 H GLU A 92 -2.867 -5.998 -4.944 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.093 -8.193 -4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.568 -8.092 -4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.861 -8.167 -6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.076 -10.383 -5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.537 -10.323 -6.104 1.00 0.00 H new ATOM 1271 N ASN A 93 -1.823 -7.080 -7.843 1.00 0.00 N ATOM 1272 CA ASN A 93 -1.352 -7.008 -9.209 1.00 0.00 C ATOM 1273 C ASN A 93 0.159 -6.833 -9.219 1.00 0.00 C ATOM 1274 O ASN A 93 0.911 -7.788 -9.542 1.00 0.00 O ATOM 1275 CB ASN A 93 -2.031 -5.829 -9.936 1.00 0.00 C ATOM 1276 CG ASN A 93 -3.344 -6.162 -10.633 1.00 0.00 C ATOM 1277 OD1 ASN A 93 -3.697 -5.517 -11.629 1.00 0.00 O ATOM 1278 ND2 ASN A 93 -4.076 -7.145 -10.156 1.00 0.00 N ATOM 0 H ASN A 93 -2.568 -6.417 -7.630 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.606 -7.932 -9.728 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.214 -5.035 -9.212 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.336 -5.432 -10.676 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.957 -7.391 -10.608 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.763 -7.661 -9.334 1.00 0.00 H new ATOM 1285 N VAL A 94 0.606 -5.668 -8.735 1.00 0.00 N ATOM 1286 CA VAL A 94 2.008 -5.303 -8.726 1.00 0.00 C ATOM 1287 C VAL A 94 2.883 -6.263 -8.038 1.00 0.00 C ATOM 1288 O VAL A 94 3.917 -6.669 -8.582 1.00 0.00 O ATOM 1289 CB VAL A 94 2.334 -3.883 -8.205 1.00 0.00 C ATOM 1290 CG1 VAL A 94 1.838 -2.811 -9.141 1.00 0.00 C ATOM 1291 CG2 VAL A 94 1.858 -3.605 -6.786 1.00 0.00 C ATOM 0 H VAL A 94 -0.007 -4.955 -8.339 1.00 0.00 H new ATOM 0 HA VAL A 94 2.224 -5.320 -9.794 1.00 0.00 H new ATOM 0 HB VAL A 94 3.423 -3.853 -8.172 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.088 -1.830 -8.736 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.310 -2.932 -10.116 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.757 -2.894 -9.249 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.129 -2.588 -6.504 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.775 -3.719 -6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.329 -4.309 -6.100 1.00 0.00 H new ATOM 1301 N LEU A 95 2.490 -6.687 -6.921 1.00 0.00 N ATOM 1302 CA LEU A 95 3.418 -7.388 -6.145 1.00 0.00 C ATOM 1303 C LEU A 95 3.392 -8.839 -6.259 1.00 0.00 C ATOM 1304 O LEU A 95 4.435 -9.461 -6.167 1.00 0.00 O ATOM 1305 CB LEU A 95 3.449 -6.886 -4.736 1.00 0.00 C ATOM 1306 CG LEU A 95 2.126 -6.827 -4.021 1.00 0.00 C ATOM 1307 CD1 LEU A 95 1.664 -8.165 -3.499 1.00 0.00 C ATOM 1308 CD2 LEU A 95 2.121 -5.757 -2.983 1.00 0.00 C ATOM 0 H LEU A 95 1.558 -6.570 -6.524 1.00 0.00 H new ATOM 0 HA LEU A 95 4.383 -7.155 -6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.121 -7.523 -4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.882 -5.886 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 95 1.378 -6.554 -4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.704 -8.047 -2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.555 -8.862 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.399 -8.554 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.152 -5.739 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.903 -5.957 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.304 -4.792 -3.455 1.00 0.00 H new ATOM 1320 N SER A 96 2.269 -9.400 -6.447 1.00 0.00 N ATOM 1321 CA SER A 96 2.273 -10.783 -6.537 1.00 0.00 C ATOM 1322 C SER A 96 2.592 -11.216 -7.973 1.00 0.00 C ATOM 1323 O SER A 96 2.935 -12.384 -8.209 1.00 0.00 O ATOM 1324 CB SER A 96 0.991 -11.388 -5.992 1.00 0.00 C ATOM 1325 OG SER A 96 0.873 -11.081 -4.609 1.00 0.00 O ATOM 0 H SER A 96 1.366 -8.935 -6.538 1.00 0.00 H new ATOM 0 HA SER A 96 3.066 -11.177 -5.901 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.132 -10.997 -6.537 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.996 -12.468 -6.137 1.00 0.00 H new ATOM 0 HG SER A 96 0.144 -10.439 -4.477 1.00 0.00 H new ATOM 1331 N GLY A 97 2.495 -10.281 -8.955 1.00 0.00 N ATOM 1332 CA GLY A 97 2.886 -10.679 -10.274 1.00 0.00 C ATOM 1333 C GLY A 97 3.204 -9.565 -11.255 1.00 0.00 C ATOM 1334 O GLY A 97 3.267 -9.834 -12.454 1.00 0.00 O ATOM 0 H GLY A 97 2.170 -9.320 -8.845 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.764 -11.320 -10.190 1.00 0.00 H new ATOM 0 HA3 GLY A 97 2.087 -11.287 -10.697 1.00 0.00 H new ATOM 1338 N LYS A 98 3.414 -8.322 -10.826 1.00 0.00 N ATOM 1339 CA LYS A 98 3.676 -7.311 -11.878 1.00 0.00 C ATOM 1340 C LYS A 98 5.143 -7.074 -11.999 1.00 0.00 C ATOM 1341 O LYS A 98 5.700 -6.971 -13.090 1.00 0.00 O ATOM 1342 CB LYS A 98 2.945 -6.003 -11.624 1.00 0.00 C ATOM 1343 CG LYS A 98 2.363 -5.296 -12.850 1.00 0.00 C ATOM 1344 CD LYS A 98 3.403 -4.865 -13.873 1.00 0.00 C ATOM 1345 CE LYS A 98 2.748 -4.150 -15.050 1.00 0.00 C ATOM 1346 NZ LYS A 98 1.796 -5.022 -15.778 1.00 0.00 N ATOM 0 H LYS A 98 3.413 -7.999 -9.859 1.00 0.00 H new ATOM 0 HA LYS A 98 3.291 -7.709 -12.817 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.132 -6.197 -10.924 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.634 -5.318 -11.130 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.648 -5.961 -13.334 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.809 -4.418 -12.520 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.131 -4.205 -13.401 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.949 -5.737 -14.231 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.224 -3.265 -14.689 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.520 -3.805 -15.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.544 -4.580 -16.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.238 -5.947 -15.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.937 -5.152 -15.206 1.00 0.00 H new ATOM 1360 N ALA A 99 5.722 -6.996 -10.877 1.00 0.00 N ATOM 1361 CA ALA A 99 7.111 -6.702 -10.692 1.00 0.00 C ATOM 1362 C ALA A 99 8.007 -7.831 -11.194 1.00 0.00 C ATOM 1363 O ALA A 99 8.494 -7.748 -12.339 1.00 0.00 O ATOM 1364 CB ALA A 99 7.342 -6.412 -9.237 1.00 0.00 C ATOM 1365 OXT ALA A 99 8.188 -8.829 -10.475 1.00 0.00 O ATOM 0 H ALA A 99 5.227 -7.141 -9.997 1.00 0.00 H new ATOM 0 HA ALA A 99 7.377 -5.828 -11.286 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.396 -6.185 -9.074 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.736 -5.558 -8.936 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.062 -7.282 -8.644 1.00 0.00 H new TER 1371 ALA A 99