USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 781 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0582) USER MOD Single : A 21 LYS NZ :NH3+ 152:sc= -0.995 (180deg=-1.65!) USER MOD Single : A 24 ASN : amide:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.607 K(o=-0.61,f=-5.3!) USER MOD Single : A 28 LYS NZ :NH3+ -165:sc=-0.00962 (180deg=-0.155) USER MOD Single : A 29 LYS NZ :NH3+ -125:sc= -1.05 (180deg=-3.28!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.495 USER MOD Single : A 40 SER OG : rot -97:sc= 1.1 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0932 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= -0.171 (180deg=-0.676) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.76 F(o=-2.5,f=-0.76) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.414 X(o=-0.41,f=-0.42) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= -0.506 USER MOD Single : A 87 GLN : amide:sc= -5.29 K(o=-5.3,f=-12!) USER MOD Single : A 92 SER OG : rot 88:sc= 0.00235 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 75:sc= 0.971 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 143:sc= -1.99 (180deg=-5.66!) USER MOD Single : A 102 THR OG1 : rot -131:sc= -0.861 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -1.06 K(o=-1.1,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 17 -11.342 -13.799 -20.224 1.00 0.00 N ATOM 2 CA LYS A 17 -11.536 -12.536 -19.521 1.00 0.00 C ATOM 3 C LYS A 17 -10.486 -12.354 -18.431 1.00 0.00 C ATOM 4 O LYS A 17 -9.963 -13.327 -17.889 1.00 0.00 O ATOM 5 CB LYS A 17 -12.939 -12.477 -18.912 1.00 0.00 C ATOM 6 CG LYS A 17 -13.951 -11.749 -19.783 1.00 0.00 C ATOM 7 CD LYS A 17 -14.136 -10.308 -19.339 1.00 0.00 C ATOM 8 CE LYS A 17 -15.256 -10.178 -18.320 1.00 0.00 C ATOM 9 NZ LYS A 17 -14.734 -10.077 -16.929 1.00 0.00 N ATOM 0 HA LYS A 17 -11.428 -11.726 -20.243 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.291 -13.493 -18.732 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.884 -11.982 -17.942 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.621 -11.771 -20.822 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.908 -12.269 -19.742 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.206 -9.937 -18.908 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.357 -9.685 -20.206 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -15.853 -9.295 -18.548 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -15.919 -11.040 -18.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -15.516 -9.855 -16.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.302 -10.982 -16.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.019 -9.323 -16.880 1.00 0.00 H new ATOM 23 N ARG A 18 -10.181 -11.099 -18.113 1.00 0.00 N ATOM 24 CA ARG A 18 -9.193 -10.789 -17.087 1.00 0.00 C ATOM 25 C ARG A 18 -9.860 -10.193 -15.851 1.00 0.00 C ATOM 26 O ARG A 18 -10.679 -9.279 -15.956 1.00 0.00 O ATOM 27 CB ARG A 18 -8.147 -9.816 -17.635 1.00 0.00 C ATOM 28 CG ARG A 18 -7.585 -10.226 -18.988 1.00 0.00 C ATOM 29 CD ARG A 18 -7.417 -9.028 -19.909 1.00 0.00 C ATOM 30 NE ARG A 18 -6.240 -9.157 -20.765 1.00 0.00 N ATOM 31 CZ ARG A 18 -6.193 -9.926 -21.850 1.00 0.00 C ATOM 32 NH1 ARG A 18 -7.253 -10.635 -22.216 1.00 0.00 N ATOM 33 NH2 ARG A 18 -5.083 -9.985 -22.574 1.00 0.00 N ATOM 0 H ARG A 18 -10.604 -10.281 -18.552 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.701 -11.718 -16.799 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.594 -8.826 -17.721 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.328 -9.735 -16.920 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.622 -10.717 -18.849 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.250 -10.954 -19.454 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.307 -8.920 -20.530 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.333 -8.120 -19.312 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.405 -8.626 -20.516 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.110 -10.592 -21.665 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.211 -11.223 -23.049 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.265 -9.441 -22.299 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.047 -10.575 -23.406 1.00 0.00 H new ATOM 47 N VAL A 19 -9.506 -10.717 -14.683 1.00 0.00 N ATOM 48 CA VAL A 19 -10.071 -10.237 -13.429 1.00 0.00 C ATOM 49 C VAL A 19 -9.154 -9.216 -12.767 1.00 0.00 C ATOM 50 O VAL A 19 -7.959 -9.161 -13.055 1.00 0.00 O ATOM 51 CB VAL A 19 -10.325 -11.394 -12.444 1.00 0.00 C ATOM 52 CG1 VAL A 19 -11.151 -10.918 -11.259 1.00 0.00 C ATOM 53 CG2 VAL A 19 -11.010 -12.557 -13.147 1.00 0.00 C ATOM 0 H VAL A 19 -8.830 -11.474 -14.579 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.022 -9.764 -13.675 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.362 -11.742 -12.070 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.319 -11.750 -10.575 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.617 -10.123 -10.739 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.110 -10.539 -11.613 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.180 -13.364 -12.434 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.965 -12.225 -13.554 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.376 -12.917 -13.957 1.00 0.00 H new ATOM 63 N GLY A 20 -9.720 -8.409 -11.877 1.00 0.00 N ATOM 64 CA GLY A 20 -8.940 -7.400 -11.185 1.00 0.00 C ATOM 65 C GLY A 20 -8.297 -6.408 -12.136 1.00 0.00 C ATOM 66 O GLY A 20 -8.121 -6.697 -13.321 1.00 0.00 O ATOM 0 H GLY A 20 -10.707 -8.436 -11.622 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.583 -6.864 -10.487 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.164 -7.887 -10.594 1.00 0.00 H new ATOM 70 N LYS A 21 -7.943 -5.238 -11.616 1.00 0.00 N ATOM 71 CA LYS A 21 -7.313 -4.198 -12.423 1.00 0.00 C ATOM 72 C LYS A 21 -6.291 -3.419 -11.602 1.00 0.00 C ATOM 73 O LYS A 21 -6.530 -3.096 -10.439 1.00 0.00 O ATOM 74 CB LYS A 21 -8.372 -3.245 -12.983 1.00 0.00 C ATOM 75 CG LYS A 21 -9.417 -2.823 -11.962 1.00 0.00 C ATOM 76 CD LYS A 21 -9.085 -1.473 -11.349 1.00 0.00 C ATOM 77 CE LYS A 21 -10.291 -0.876 -10.641 1.00 0.00 C ATOM 78 NZ LYS A 21 -10.128 0.586 -10.400 1.00 0.00 N ATOM 0 H LYS A 21 -8.082 -4.985 -10.638 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.795 -4.679 -13.253 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.877 -2.355 -13.372 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.872 -3.726 -13.824 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.395 -2.776 -12.440 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.482 -3.575 -11.175 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.264 -1.585 -10.641 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.744 -0.791 -12.128 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.185 -1.047 -11.240 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.442 -1.386 -9.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.063 1.040 -10.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.644 0.736 -9.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.563 1.003 -11.167 1.00 0.00 H new ATOM 92 N ARG A 22 -5.148 -3.122 -12.214 1.00 0.00 N ATOM 93 CA ARG A 22 -4.089 -2.383 -11.535 1.00 0.00 C ATOM 94 C ARG A 22 -4.127 -0.904 -11.903 1.00 0.00 C ATOM 95 O ARG A 22 -4.491 -0.542 -13.022 1.00 0.00 O ATOM 96 CB ARG A 22 -2.720 -2.968 -11.885 1.00 0.00 C ATOM 97 CG ARG A 22 -2.510 -3.174 -13.377 1.00 0.00 C ATOM 98 CD ARG A 22 -1.141 -2.681 -13.818 1.00 0.00 C ATOM 99 NE ARG A 22 -0.795 -3.148 -15.158 1.00 0.00 N ATOM 100 CZ ARG A 22 -0.339 -4.369 -15.423 1.00 0.00 C ATOM 101 NH1 ARG A 22 -0.174 -5.252 -14.445 1.00 0.00 N ATOM 102 NH2 ARG A 22 -0.047 -4.712 -16.671 1.00 0.00 N ATOM 0 H ARG A 22 -4.932 -3.381 -13.177 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.255 -2.476 -10.462 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.943 -2.305 -11.505 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.601 -3.924 -11.374 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.612 -4.232 -13.618 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.285 -2.645 -13.932 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.125 -1.591 -13.799 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.387 -3.023 -13.109 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.910 -2.499 -15.937 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.397 -4.996 -13.483 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.176 -6.187 -14.655 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.172 -4.039 -17.427 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.303 -5.648 -16.874 1.00 0.00 H new ATOM 116 N LEU A 23 -3.748 -0.055 -10.954 1.00 0.00 N ATOM 117 CA LEU A 23 -3.737 1.386 -11.179 1.00 0.00 C ATOM 118 C LEU A 23 -2.423 2.004 -10.718 1.00 0.00 C ATOM 119 O LEU A 23 -1.751 1.478 -9.832 1.00 0.00 O ATOM 120 CB LEU A 23 -4.906 2.057 -10.451 1.00 0.00 C ATOM 121 CG LEU A 23 -6.108 1.157 -10.182 1.00 0.00 C ATOM 122 CD1 LEU A 23 -6.983 1.746 -9.087 1.00 0.00 C ATOM 123 CD2 LEU A 23 -6.912 0.948 -11.457 1.00 0.00 C ATOM 0 H LEU A 23 -3.445 -0.339 -10.023 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.843 1.552 -12.251 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.544 2.447 -9.499 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.237 2.912 -11.041 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.743 0.187 -9.843 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.835 1.090 -8.910 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.402 1.843 -8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.340 2.729 -9.396 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.766 0.304 -11.247 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.266 1.911 -11.826 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.281 0.480 -12.212 1.00 0.00 H new ATOM 135 N ASN A 24 -2.071 3.133 -11.320 1.00 0.00 N ATOM 136 CA ASN A 24 -0.844 3.841 -10.972 1.00 0.00 C ATOM 137 C ASN A 24 -1.177 5.182 -10.328 1.00 0.00 C ATOM 138 O ASN A 24 -1.809 6.038 -10.949 1.00 0.00 O ATOM 139 CB ASN A 24 0.021 4.056 -12.215 1.00 0.00 C ATOM 140 CG ASN A 24 1.432 4.487 -11.868 1.00 0.00 C ATOM 141 OD1 ASN A 24 1.907 5.527 -12.325 1.00 0.00 O ATOM 142 ND2 ASN A 24 2.112 3.686 -11.054 1.00 0.00 N ATOM 0 H ASN A 24 -2.620 3.580 -12.054 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.284 3.235 -10.260 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.058 3.133 -12.793 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.441 4.812 -12.850 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.067 3.924 -10.785 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.679 2.834 -10.699 1.00 0.00 H new ATOM 149 N ILE A 25 -0.762 5.359 -9.078 1.00 0.00 N ATOM 150 CA ILE A 25 -1.039 6.597 -8.359 1.00 0.00 C ATOM 151 C ILE A 25 0.243 7.277 -7.888 1.00 0.00 C ATOM 152 O ILE A 25 1.110 6.649 -7.282 1.00 0.00 O ATOM 153 CB ILE A 25 -1.953 6.341 -7.142 1.00 0.00 C ATOM 154 CG1 ILE A 25 -3.261 5.682 -7.592 1.00 0.00 C ATOM 155 CG2 ILE A 25 -2.234 7.640 -6.401 1.00 0.00 C ATOM 156 CD1 ILE A 25 -3.400 4.245 -7.142 1.00 0.00 C ATOM 0 H ILE A 25 -0.236 4.666 -8.545 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.548 7.258 -9.061 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.441 5.664 -6.458 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.101 6.258 -7.204 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.323 5.721 -8.680 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.880 7.439 -5.546 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.295 8.071 -6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.728 8.342 -7.072 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.349 3.843 -7.496 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.580 3.655 -7.552 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.371 4.200 -6.053 1.00 0.00 H new ATOM 168 N GLN A 26 0.340 8.574 -8.162 1.00 0.00 N ATOM 169 CA GLN A 26 1.498 9.363 -7.759 1.00 0.00 C ATOM 170 C GLN A 26 1.078 10.422 -6.747 1.00 0.00 C ATOM 171 O GLN A 26 0.248 11.281 -7.043 1.00 0.00 O ATOM 172 CB GLN A 26 2.145 10.030 -8.976 1.00 0.00 C ATOM 173 CG GLN A 26 2.149 9.161 -10.222 1.00 0.00 C ATOM 174 CD GLN A 26 1.141 9.622 -11.255 1.00 0.00 C ATOM 175 OE1 GLN A 26 -0.058 9.369 -11.127 1.00 0.00 O ATOM 176 NE2 GLN A 26 1.622 10.302 -12.288 1.00 0.00 N ATOM 0 H GLN A 26 -0.373 9.103 -8.664 1.00 0.00 H new ATOM 0 HA GLN A 26 2.229 8.698 -7.299 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.617 10.958 -9.194 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.172 10.298 -8.728 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.146 9.169 -10.663 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.932 8.130 -9.943 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.623 10.489 -12.354 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.991 10.638 -13.016 1.00 0.00 H new ATOM 185 N LEU A 27 1.641 10.348 -5.547 1.00 0.00 N ATOM 186 CA LEU A 27 1.303 11.295 -4.492 1.00 0.00 C ATOM 187 C LEU A 27 2.471 12.212 -4.166 1.00 0.00 C ATOM 188 O LEU A 27 3.611 11.769 -4.032 1.00 0.00 O ATOM 189 CB LEU A 27 0.859 10.546 -3.238 1.00 0.00 C ATOM 190 CG LEU A 27 -0.135 9.420 -3.496 1.00 0.00 C ATOM 191 CD1 LEU A 27 -0.337 8.580 -2.245 1.00 0.00 C ATOM 192 CD2 LEU A 27 -1.461 9.983 -3.985 1.00 0.00 C ATOM 0 H LEU A 27 2.331 9.645 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 27 0.483 11.916 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.739 10.132 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.411 11.257 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 27 0.273 8.775 -4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.050 7.783 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.615 8.145 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.721 9.209 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.159 9.166 -4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.873 10.653 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.302 10.535 -4.912 1.00 0.00 H new ATOM 204 N LYS A 28 2.172 13.496 -4.038 1.00 0.00 N ATOM 205 CA LYS A 28 3.183 14.496 -3.725 1.00 0.00 C ATOM 206 C LYS A 28 3.364 14.633 -2.217 1.00 0.00 C ATOM 207 O LYS A 28 2.416 14.943 -1.494 1.00 0.00 O ATOM 208 CB LYS A 28 2.791 15.847 -4.325 1.00 0.00 C ATOM 209 CG LYS A 28 3.928 16.856 -4.349 1.00 0.00 C ATOM 210 CD LYS A 28 5.172 16.277 -5.001 1.00 0.00 C ATOM 211 CE LYS A 28 6.213 17.352 -5.272 1.00 0.00 C ATOM 212 NZ LYS A 28 5.788 18.277 -6.357 1.00 0.00 N ATOM 0 H LYS A 28 1.230 13.872 -4.147 1.00 0.00 H new ATOM 0 HA LYS A 28 4.129 14.170 -4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.432 15.693 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.961 16.262 -3.753 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.613 17.748 -4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.161 17.168 -3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.599 15.510 -4.354 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.900 15.789 -5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.393 17.921 -4.360 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.157 16.882 -5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.608 18.827 -6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.400 17.727 -7.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.059 18.925 -5.995 1.00 0.00 H new ATOM 226 N LYS A 29 4.585 14.398 -1.748 1.00 0.00 N ATOM 227 CA LYS A 29 4.890 14.496 -0.325 1.00 0.00 C ATOM 228 C LYS A 29 4.517 15.872 0.222 1.00 0.00 C ATOM 229 O LYS A 29 5.015 16.894 -0.250 1.00 0.00 O ATOM 230 CB LYS A 29 6.377 14.227 -0.086 1.00 0.00 C ATOM 231 CG LYS A 29 6.677 12.797 0.331 1.00 0.00 C ATOM 232 CD LYS A 29 7.105 12.720 1.787 1.00 0.00 C ATOM 233 CE LYS A 29 5.927 12.921 2.727 1.00 0.00 C ATOM 234 NZ LYS A 29 5.437 11.633 3.290 1.00 0.00 N ATOM 0 H LYS A 29 5.380 14.138 -2.333 1.00 0.00 H new ATOM 0 HA LYS A 29 4.299 13.746 0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.930 14.454 -0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.741 14.906 0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.792 12.179 0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.465 12.390 -0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.565 11.751 1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.863 13.478 1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.221 13.584 3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.116 13.415 2.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.421 11.532 3.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.955 10.844 2.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.592 11.622 4.318 1.00 0.00 H new ATOM 248 N GLY A 30 3.636 15.890 1.217 1.00 0.00 N ATOM 249 CA GLY A 30 3.211 17.144 1.809 1.00 0.00 C ATOM 250 C GLY A 30 3.839 17.388 3.166 1.00 0.00 C ATOM 251 O GLY A 30 4.880 18.039 3.269 1.00 0.00 O ATOM 0 H GLY A 30 3.209 15.058 1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.470 17.964 1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.126 17.145 1.909 1.00 0.00 H new ATOM 255 N THR A 31 3.208 16.865 4.212 1.00 0.00 N ATOM 256 CA THR A 31 3.712 17.029 5.572 1.00 0.00 C ATOM 257 C THR A 31 3.280 15.860 6.453 1.00 0.00 C ATOM 258 O THR A 31 4.112 15.189 7.061 1.00 0.00 O ATOM 259 CB THR A 31 3.215 18.347 6.168 1.00 0.00 C ATOM 260 OG1 THR A 31 1.994 18.740 5.567 1.00 0.00 O ATOM 261 CG2 THR A 31 4.197 19.486 6.003 1.00 0.00 C ATOM 0 H THR A 31 2.346 16.324 4.145 1.00 0.00 H new ATOM 0 HA THR A 31 4.801 17.048 5.532 1.00 0.00 H new ATOM 0 HB THR A 31 3.086 18.153 7.233 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.691 19.584 5.963 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.783 20.391 6.447 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.134 19.234 6.500 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.383 19.655 4.942 1.00 0.00 H new ATOM 269 N GLU A 32 1.974 15.623 6.511 1.00 0.00 N ATOM 270 CA GLU A 32 1.429 14.533 7.312 1.00 0.00 C ATOM 271 C GLU A 32 1.459 13.224 6.529 1.00 0.00 C ATOM 272 O GLU A 32 0.424 12.592 6.312 1.00 0.00 O ATOM 273 CB GLU A 32 -0.003 14.856 7.742 1.00 0.00 C ATOM 274 CG GLU A 32 -0.091 15.559 9.087 1.00 0.00 C ATOM 275 CD GLU A 32 -1.334 15.175 9.864 1.00 0.00 C ATOM 276 OE1 GLU A 32 -1.282 14.176 10.613 1.00 0.00 O ATOM 277 OE2 GLU A 32 -2.362 15.872 9.726 1.00 0.00 O ATOM 0 H GLU A 32 1.273 16.171 6.013 1.00 0.00 H new ATOM 0 HA GLU A 32 2.047 14.418 8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.469 15.484 6.982 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.577 13.931 7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.792 15.317 9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.083 16.638 8.930 1.00 0.00 H new ATOM 284 N GLY A 33 2.651 12.828 6.100 1.00 0.00 N ATOM 285 CA GLY A 33 2.793 11.602 5.337 1.00 0.00 C ATOM 286 C GLY A 33 2.087 11.680 3.999 1.00 0.00 C ATOM 287 O GLY A 33 2.132 12.708 3.326 1.00 0.00 O ATOM 0 H GLY A 33 3.521 13.333 6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.851 11.395 5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.389 10.769 5.912 1.00 0.00 H new ATOM 291 N LEU A 34 1.430 10.591 3.613 1.00 0.00 N ATOM 292 CA LEU A 34 0.709 10.547 2.346 1.00 0.00 C ATOM 293 C LEU A 34 -0.794 10.396 2.572 1.00 0.00 C ATOM 294 O LEU A 34 -1.597 10.743 1.706 1.00 0.00 O ATOM 295 CB LEU A 34 1.240 9.409 1.475 1.00 0.00 C ATOM 296 CG LEU A 34 2.633 9.652 0.885 1.00 0.00 C ATOM 297 CD1 LEU A 34 3.700 8.974 1.729 1.00 0.00 C ATOM 298 CD2 LEU A 34 2.700 9.167 -0.556 1.00 0.00 C ATOM 0 H LEU A 34 1.382 9.730 4.157 1.00 0.00 H new ATOM 0 HA LEU A 34 0.874 11.491 1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.266 8.496 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.539 9.237 0.658 1.00 0.00 H new ATOM 0 HG LEU A 34 2.823 10.725 0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.681 9.159 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.672 9.375 2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.513 7.901 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.698 9.349 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.485 8.099 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.966 9.705 -1.155 1.00 0.00 H new ATOM 310 N GLY A 35 -1.170 9.891 3.745 1.00 0.00 N ATOM 311 CA GLY A 35 -2.576 9.723 4.064 1.00 0.00 C ATOM 312 C GLY A 35 -3.096 8.333 3.766 1.00 0.00 C ATOM 313 O GLY A 35 -4.302 8.140 3.609 1.00 0.00 O ATOM 0 H GLY A 35 -0.526 9.596 4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.730 9.942 5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.159 10.450 3.499 1.00 0.00 H new ATOM 317 N PHE A 36 -2.197 7.361 3.683 1.00 0.00 N ATOM 318 CA PHE A 36 -2.600 5.992 3.398 1.00 0.00 C ATOM 319 C PHE A 36 -1.839 4.991 4.261 1.00 0.00 C ATOM 320 O PHE A 36 -0.608 5.008 4.314 1.00 0.00 O ATOM 321 CB PHE A 36 -2.388 5.677 1.912 1.00 0.00 C ATOM 322 CG PHE A 36 -0.950 5.451 1.536 1.00 0.00 C ATOM 323 CD1 PHE A 36 -0.128 6.519 1.210 1.00 0.00 C ATOM 324 CD2 PHE A 36 -0.421 4.170 1.509 1.00 0.00 C ATOM 325 CE1 PHE A 36 1.194 6.312 0.866 1.00 0.00 C ATOM 326 CE2 PHE A 36 0.900 3.959 1.165 1.00 0.00 C ATOM 327 CZ PHE A 36 1.709 5.030 0.842 1.00 0.00 C ATOM 0 H PHE A 36 -1.193 7.494 3.808 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.659 5.900 3.638 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.965 4.789 1.653 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.784 6.499 1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.525 7.523 1.225 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.049 3.328 1.760 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.825 7.152 0.616 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.300 2.956 1.149 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.742 4.866 0.571 1.00 0.00 H new ATOM 337 N SER A 37 -2.583 4.108 4.915 1.00 0.00 N ATOM 338 CA SER A 37 -1.988 3.081 5.759 1.00 0.00 C ATOM 339 C SER A 37 -2.091 1.732 5.060 1.00 0.00 C ATOM 340 O SER A 37 -3.137 1.392 4.507 1.00 0.00 O ATOM 341 CB SER A 37 -2.691 3.028 7.118 1.00 0.00 C ATOM 342 OG SER A 37 -1.774 2.719 8.152 1.00 0.00 O ATOM 0 H SER A 37 -3.602 4.083 4.877 1.00 0.00 H new ATOM 0 HA SER A 37 -0.939 3.323 5.928 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.166 3.987 7.323 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.482 2.279 7.093 1.00 0.00 H new ATOM 0 HG SER A 37 -2.246 2.692 9.011 1.00 0.00 H new ATOM 348 N ILE A 38 -1.004 0.973 5.065 1.00 0.00 N ATOM 349 CA ILE A 38 -0.995 -0.322 4.401 1.00 0.00 C ATOM 350 C ILE A 38 -0.793 -1.471 5.375 1.00 0.00 C ATOM 351 O ILE A 38 0.002 -1.385 6.311 1.00 0.00 O ATOM 352 CB ILE A 38 0.105 -0.395 3.331 1.00 0.00 C ATOM 353 CG1 ILE A 38 1.445 0.044 3.920 1.00 0.00 C ATOM 354 CG2 ILE A 38 -0.267 0.462 2.132 1.00 0.00 C ATOM 355 CD1 ILE A 38 2.614 -0.138 2.976 1.00 0.00 C ATOM 0 H ILE A 38 -0.126 1.228 5.517 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.975 -0.422 3.935 1.00 0.00 H new ATOM 0 HB ILE A 38 0.201 -1.427 2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.380 1.094 4.205 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.634 -0.523 4.832 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.522 0.401 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.203 0.103 1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.387 1.498 2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.530 0.195 3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.706 -1.191 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.448 0.451 2.074 1.00 0.00 H new ATOM 367 N THR A 39 -1.507 -2.558 5.119 1.00 0.00 N ATOM 368 CA THR A 39 -1.408 -3.757 5.940 1.00 0.00 C ATOM 369 C THR A 39 -0.548 -4.799 5.234 1.00 0.00 C ATOM 370 O THR A 39 -0.188 -4.628 4.071 1.00 0.00 O ATOM 371 CB THR A 39 -2.792 -4.337 6.231 1.00 0.00 C ATOM 372 OG1 THR A 39 -2.682 -5.643 6.771 1.00 0.00 O ATOM 373 CG2 THR A 39 -3.682 -4.421 5.009 1.00 0.00 C ATOM 0 H THR A 39 -2.166 -2.634 4.344 1.00 0.00 H new ATOM 0 HA THR A 39 -0.944 -3.485 6.888 1.00 0.00 H new ATOM 0 HB THR A 39 -3.248 -3.648 6.942 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.577 -5.998 6.953 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.647 -4.842 5.290 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.828 -3.423 4.596 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.213 -5.059 4.260 1.00 0.00 H new ATOM 381 N SER A 40 -0.221 -5.871 5.938 1.00 0.00 N ATOM 382 CA SER A 40 0.603 -6.928 5.363 1.00 0.00 C ATOM 383 C SER A 40 -0.068 -8.291 5.506 1.00 0.00 C ATOM 384 O SER A 40 -0.421 -8.708 6.609 1.00 0.00 O ATOM 385 CB SER A 40 1.983 -6.943 6.027 1.00 0.00 C ATOM 386 OG SER A 40 2.597 -8.215 5.912 1.00 0.00 O ATOM 0 H SER A 40 -0.510 -6.034 6.902 1.00 0.00 H new ATOM 0 HA SER A 40 0.723 -6.722 4.299 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.619 -6.187 5.566 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.885 -6.678 7.080 1.00 0.00 H new ATOM 0 HG SER A 40 2.441 -8.729 6.732 1.00 0.00 H new ATOM 392 N ARG A 41 -0.235 -8.980 4.380 1.00 0.00 N ATOM 393 CA ARG A 41 -0.860 -10.298 4.379 1.00 0.00 C ATOM 394 C ARG A 41 -0.041 -11.284 5.206 1.00 0.00 C ATOM 395 O ARG A 41 -0.589 -12.193 5.829 1.00 0.00 O ATOM 396 CB ARG A 41 -1.010 -10.813 2.945 1.00 0.00 C ATOM 397 CG ARG A 41 -2.385 -11.390 2.645 1.00 0.00 C ATOM 398 CD ARG A 41 -2.302 -12.552 1.670 1.00 0.00 C ATOM 399 NE ARG A 41 -3.425 -13.475 1.820 1.00 0.00 N ATOM 400 CZ ARG A 41 -3.691 -14.462 0.967 1.00 0.00 C ATOM 401 NH1 ARG A 41 -2.922 -14.658 -0.096 1.00 0.00 N ATOM 402 NH2 ARG A 41 -4.733 -15.256 1.178 1.00 0.00 N ATOM 0 H ARG A 41 0.053 -8.648 3.460 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.849 -10.208 4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.809 -9.996 2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.256 -11.579 2.762 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.850 -11.725 3.572 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.025 -10.611 2.230 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.282 -12.168 0.650 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.367 -13.090 1.826 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.041 -13.356 2.625 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.120 -14.050 -0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.132 -15.416 -0.745 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.329 -15.110 1.993 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.938 -16.013 0.525 1.00 0.00 H new ATOM 416 N ASP A 42 1.275 -11.094 5.209 1.00 0.00 N ATOM 417 CA ASP A 42 2.172 -11.963 5.962 1.00 0.00 C ATOM 418 C ASP A 42 2.087 -13.403 5.468 1.00 0.00 C ATOM 419 O ASP A 42 1.714 -14.307 6.217 1.00 0.00 O ATOM 420 CB ASP A 42 1.839 -11.899 7.455 1.00 0.00 C ATOM 421 CG ASP A 42 2.497 -10.721 8.146 1.00 0.00 C ATOM 422 OD1 ASP A 42 1.916 -9.615 8.116 1.00 0.00 O ATOM 423 OD2 ASP A 42 3.591 -10.903 8.719 1.00 0.00 O ATOM 0 H ASP A 42 1.744 -10.346 4.698 1.00 0.00 H new ATOM 0 HA ASP A 42 3.192 -11.611 5.807 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.758 -11.833 7.580 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.159 -12.823 7.936 1.00 0.00 H new ATOM 428 N VAL A 43 2.439 -13.613 4.203 1.00 0.00 N ATOM 429 CA VAL A 43 2.407 -14.948 3.615 1.00 0.00 C ATOM 430 C VAL A 43 3.379 -15.877 4.325 1.00 0.00 C ATOM 431 O VAL A 43 3.010 -16.973 4.749 1.00 0.00 O ATOM 432 CB VAL A 43 2.754 -14.911 2.114 1.00 0.00 C ATOM 433 CG1 VAL A 43 2.615 -16.294 1.495 1.00 0.00 C ATOM 434 CG2 VAL A 43 1.874 -13.905 1.389 1.00 0.00 C ATOM 0 H VAL A 43 2.749 -12.878 3.567 1.00 0.00 H new ATOM 0 HA VAL A 43 1.391 -15.324 3.734 1.00 0.00 H new ATOM 0 HB VAL A 43 3.792 -14.596 2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.865 -16.245 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.292 -16.986 1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.589 -16.643 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.133 -13.892 0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.828 -14.188 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.030 -12.913 1.813 1.00 0.00 H new ATOM 444 N THR A 44 4.622 -15.436 4.449 1.00 0.00 N ATOM 445 CA THR A 44 5.650 -16.232 5.105 1.00 0.00 C ATOM 446 C THR A 44 6.623 -15.352 5.879 1.00 0.00 C ATOM 447 O THR A 44 6.701 -14.143 5.657 1.00 0.00 O ATOM 448 CB THR A 44 6.411 -17.073 4.079 1.00 0.00 C ATOM 449 OG1 THR A 44 7.645 -17.523 4.610 1.00 0.00 O ATOM 450 CG2 THR A 44 6.707 -16.329 2.795 1.00 0.00 C ATOM 0 H THR A 44 4.944 -14.532 4.104 1.00 0.00 H new ATOM 0 HA THR A 44 5.153 -16.895 5.813 1.00 0.00 H new ATOM 0 HB THR A 44 5.752 -17.911 3.851 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.114 -18.060 3.938 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.248 -16.983 2.112 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.771 -16.015 2.332 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.315 -15.451 3.015 1.00 0.00 H new ATOM 458 N ILE A 45 7.364 -15.974 6.790 1.00 0.00 N ATOM 459 CA ILE A 45 8.339 -15.264 7.608 1.00 0.00 C ATOM 460 C ILE A 45 9.529 -14.800 6.774 1.00 0.00 C ATOM 461 O ILE A 45 10.197 -13.824 7.117 1.00 0.00 O ATOM 462 CB ILE A 45 8.852 -16.145 8.761 1.00 0.00 C ATOM 463 CG1 ILE A 45 7.702 -16.942 9.370 1.00 0.00 C ATOM 464 CG2 ILE A 45 9.534 -15.291 9.818 1.00 0.00 C ATOM 465 CD1 ILE A 45 7.814 -18.434 9.145 1.00 0.00 C ATOM 0 H ILE A 45 7.307 -16.974 6.981 1.00 0.00 H new ATOM 0 HA ILE A 45 7.828 -14.395 8.021 1.00 0.00 H new ATOM 0 HB ILE A 45 9.585 -16.848 8.365 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.663 -16.746 10.442 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.762 -16.589 8.947 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.891 -15.929 10.626 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.378 -14.764 9.372 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.823 -14.566 10.215 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.963 -18.936 9.605 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.823 -18.641 8.075 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.737 -18.801 9.593 1.00 0.00 H new ATOM 477 N GLY A 46 9.793 -15.509 5.679 1.00 0.00 N ATOM 478 CA GLY A 46 10.907 -15.158 4.813 1.00 0.00 C ATOM 479 C GLY A 46 10.916 -13.688 4.436 1.00 0.00 C ATOM 480 O GLY A 46 11.970 -13.123 4.145 1.00 0.00 O ATOM 0 H GLY A 46 9.255 -16.321 5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.843 -15.406 5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.861 -15.761 3.906 1.00 0.00 H new ATOM 484 N GLY A 47 9.739 -13.071 4.440 1.00 0.00 N ATOM 485 CA GLY A 47 9.640 -11.665 4.094 1.00 0.00 C ATOM 486 C GLY A 47 8.757 -11.425 2.885 1.00 0.00 C ATOM 487 O GLY A 47 8.174 -10.351 2.738 1.00 0.00 O ATOM 0 H GLY A 47 8.853 -13.518 4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.243 -11.112 4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.637 -11.272 3.895 1.00 0.00 H new ATOM 491 N SER A 48 8.659 -12.427 2.018 1.00 0.00 N ATOM 492 CA SER A 48 7.840 -12.317 0.816 1.00 0.00 C ATOM 493 C SER A 48 6.356 -12.318 1.168 1.00 0.00 C ATOM 494 O SER A 48 5.784 -13.358 1.495 1.00 0.00 O ATOM 495 CB SER A 48 8.148 -13.464 -0.146 1.00 0.00 C ATOM 496 OG SER A 48 8.671 -14.585 0.546 1.00 0.00 O ATOM 0 H SER A 48 9.135 -13.323 2.125 1.00 0.00 H new ATOM 0 HA SER A 48 8.080 -11.372 0.329 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.240 -13.751 -0.676 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.864 -13.130 -0.897 1.00 0.00 H new ATOM 0 HG SER A 48 8.858 -15.305 -0.092 1.00 0.00 H new ATOM 502 N ALA A 49 5.740 -11.144 1.096 1.00 0.00 N ATOM 503 CA ALA A 49 4.322 -11.003 1.404 1.00 0.00 C ATOM 504 C ALA A 49 3.745 -9.753 0.738 1.00 0.00 C ATOM 505 O ALA A 49 4.380 -8.698 0.730 1.00 0.00 O ATOM 506 CB ALA A 49 4.112 -10.958 2.912 1.00 0.00 C ATOM 0 H ALA A 49 6.201 -10.275 0.827 1.00 0.00 H new ATOM 0 HA ALA A 49 3.793 -11.870 1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.049 -10.853 3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.483 -11.880 3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.653 -10.109 3.330 1.00 0.00 H new ATOM 512 N PRO A 50 2.535 -9.856 0.159 1.00 0.00 N ATOM 513 CA PRO A 50 1.885 -8.730 -0.523 1.00 0.00 C ATOM 514 C PRO A 50 1.335 -7.682 0.442 1.00 0.00 C ATOM 515 O PRO A 50 0.760 -8.013 1.481 1.00 0.00 O ATOM 516 CB PRO A 50 0.744 -9.398 -1.288 1.00 0.00 C ATOM 517 CG PRO A 50 0.413 -10.610 -0.490 1.00 0.00 C ATOM 518 CD PRO A 50 1.711 -11.080 0.109 1.00 0.00 C ATOM 0 HA PRO A 50 2.587 -8.183 -1.152 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.116 -8.734 -1.375 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.047 -9.662 -2.301 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.314 -10.378 0.288 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.029 -11.383 -1.119 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.564 -11.505 1.102 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.178 -11.853 -0.502 1.00 0.00 H new ATOM 526 N ILE A 51 1.519 -6.415 0.083 1.00 0.00 N ATOM 527 CA ILE A 51 1.049 -5.302 0.896 1.00 0.00 C ATOM 528 C ILE A 51 -0.219 -4.689 0.304 1.00 0.00 C ATOM 529 O ILE A 51 -0.377 -4.626 -0.915 1.00 0.00 O ATOM 530 CB ILE A 51 2.130 -4.210 1.006 1.00 0.00 C ATOM 531 CG1 ILE A 51 3.455 -4.828 1.469 1.00 0.00 C ATOM 532 CG2 ILE A 51 1.678 -3.096 1.940 1.00 0.00 C ATOM 533 CD1 ILE A 51 3.591 -4.953 2.975 1.00 0.00 C ATOM 0 H ILE A 51 1.995 -6.134 -0.774 1.00 0.00 H new ATOM 0 HA ILE A 51 0.828 -5.695 1.889 1.00 0.00 H new ATOM 0 HB ILE A 51 2.287 -3.767 0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.557 -5.817 1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.278 -4.221 1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.457 -2.336 2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.763 -2.647 1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.491 -3.507 2.932 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.556 -5.399 3.217 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.524 -3.965 3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.792 -5.585 3.361 1.00 0.00 H new ATOM 545 N TYR A 52 -1.117 -4.238 1.173 1.00 0.00 N ATOM 546 CA TYR A 52 -2.370 -3.628 0.733 1.00 0.00 C ATOM 547 C TYR A 52 -2.677 -2.376 1.549 1.00 0.00 C ATOM 548 O TYR A 52 -2.087 -2.155 2.604 1.00 0.00 O ATOM 549 CB TYR A 52 -3.526 -4.621 0.868 1.00 0.00 C ATOM 550 CG TYR A 52 -3.283 -5.942 0.175 1.00 0.00 C ATOM 551 CD1 TYR A 52 -2.298 -6.811 0.622 1.00 0.00 C ATOM 552 CD2 TYR A 52 -4.042 -6.321 -0.926 1.00 0.00 C ATOM 553 CE1 TYR A 52 -2.074 -8.021 -0.006 1.00 0.00 C ATOM 554 CE2 TYR A 52 -3.825 -7.529 -1.559 1.00 0.00 C ATOM 555 CZ TYR A 52 -2.840 -8.375 -1.097 1.00 0.00 C ATOM 556 OH TYR A 52 -2.619 -9.579 -1.725 1.00 0.00 O ATOM 0 H TYR A 52 -1.002 -4.282 2.186 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.257 -3.349 -0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.712 -4.806 1.926 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.430 -4.169 0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.696 -6.537 1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.814 -5.660 -1.292 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.303 -8.686 0.355 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.425 -7.810 -2.412 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.243 -9.677 -2.474 1.00 0.00 H new ATOM 566 N VAL A 53 -3.612 -1.569 1.058 1.00 0.00 N ATOM 567 CA VAL A 53 -4.006 -0.347 1.749 1.00 0.00 C ATOM 568 C VAL A 53 -5.153 -0.626 2.713 1.00 0.00 C ATOM 569 O VAL A 53 -6.310 -0.734 2.305 1.00 0.00 O ATOM 570 CB VAL A 53 -4.433 0.751 0.756 1.00 0.00 C ATOM 571 CG1 VAL A 53 -4.621 2.078 1.474 1.00 0.00 C ATOM 572 CG2 VAL A 53 -3.411 0.884 -0.363 1.00 0.00 C ATOM 0 H VAL A 53 -4.111 -1.739 0.185 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.137 0.006 2.305 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.388 0.465 0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.922 2.841 0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.392 1.973 2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.683 2.373 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.729 1.664 -1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.441 1.147 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.330 -0.063 -0.896 1.00 0.00 H new ATOM 582 N LYS A 54 -4.819 -0.760 3.992 1.00 0.00 N ATOM 583 CA LYS A 54 -5.815 -1.047 5.017 1.00 0.00 C ATOM 584 C LYS A 54 -6.685 0.167 5.316 1.00 0.00 C ATOM 585 O LYS A 54 -7.840 0.024 5.718 1.00 0.00 O ATOM 586 CB LYS A 54 -5.133 -1.519 6.301 1.00 0.00 C ATOM 587 CG LYS A 54 -4.261 -0.459 6.955 1.00 0.00 C ATOM 588 CD LYS A 54 -3.477 -1.031 8.127 1.00 0.00 C ATOM 589 CE LYS A 54 -4.397 -1.631 9.179 1.00 0.00 C ATOM 590 NZ LYS A 54 -4.254 -3.110 9.264 1.00 0.00 N ATOM 0 H LYS A 54 -3.865 -0.674 4.343 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.459 -1.838 4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.896 -1.838 7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.521 -2.393 6.077 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.570 -0.049 6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.885 0.365 7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.789 -1.796 7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.872 -0.245 8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.175 -1.189 10.150 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.431 -1.379 8.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.632 -3.444 10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.781 -3.555 8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.249 -3.366 9.192 1.00 0.00 H new ATOM 604 N ASN A 55 -6.131 1.362 5.134 1.00 0.00 N ATOM 605 CA ASN A 55 -6.888 2.581 5.412 1.00 0.00 C ATOM 606 C ASN A 55 -6.303 3.805 4.715 1.00 0.00 C ATOM 607 O ASN A 55 -5.115 3.853 4.398 1.00 0.00 O ATOM 608 CB ASN A 55 -6.945 2.829 6.920 1.00 0.00 C ATOM 609 CG ASN A 55 -7.992 3.858 7.297 1.00 0.00 C ATOM 610 OD1 ASN A 55 -7.652 5.133 7.144 1.00 0.00 O flip ATOM 611 ND2 ASN A 55 -9.095 3.514 7.723 1.00 0.00 N flip ATOM 0 H ASN A 55 -5.179 1.513 4.802 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.893 2.429 5.018 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.160 1.891 7.432 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.968 3.165 7.267 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.316 2.523 7.825 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.788 4.220 7.973 1.00 0.00 H new ATOM 618 N ILE A 56 -7.161 4.801 4.505 1.00 0.00 N ATOM 619 CA ILE A 56 -6.763 6.053 3.872 1.00 0.00 C ATOM 620 C ILE A 56 -7.010 7.213 4.831 1.00 0.00 C ATOM 621 O ILE A 56 -8.127 7.721 4.933 1.00 0.00 O ATOM 622 CB ILE A 56 -7.541 6.299 2.561 1.00 0.00 C ATOM 623 CG1 ILE A 56 -7.311 5.144 1.581 1.00 0.00 C ATOM 624 CG2 ILE A 56 -7.129 7.624 1.932 1.00 0.00 C ATOM 625 CD1 ILE A 56 -5.895 5.069 1.053 1.00 0.00 C ATOM 0 H ILE A 56 -8.146 4.762 4.768 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.702 5.984 3.630 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.604 6.349 2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.555 4.204 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.998 5.249 0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.689 7.778 1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.341 8.438 2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.062 7.605 1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.807 4.228 0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.653 5.993 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.203 4.932 1.884 1.00 0.00 H new ATOM 637 N LEU A 57 -5.965 7.612 5.547 1.00 0.00 N ATOM 638 CA LEU A 57 -6.069 8.696 6.518 1.00 0.00 C ATOM 639 C LEU A 57 -6.676 9.952 5.893 1.00 0.00 C ATOM 640 O LEU A 57 -6.495 10.215 4.705 1.00 0.00 O ATOM 641 CB LEU A 57 -4.694 9.002 7.112 1.00 0.00 C ATOM 642 CG LEU A 57 -3.898 7.767 7.536 1.00 0.00 C ATOM 643 CD1 LEU A 57 -2.618 8.172 8.246 1.00 0.00 C ATOM 644 CD2 LEU A 57 -4.743 6.866 8.427 1.00 0.00 C ATOM 0 H LEU A 57 -5.035 7.201 5.474 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.737 8.371 7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.112 9.560 6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.823 9.651 7.978 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.629 7.209 6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.066 7.279 8.539 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.004 8.773 7.575 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.863 8.755 9.134 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.160 5.992 8.719 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.044 7.415 9.319 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.630 6.544 7.882 1.00 0.00 H new ATOM 656 N PRO A 58 -7.418 10.740 6.694 1.00 0.00 N ATOM 657 CA PRO A 58 -8.069 11.966 6.221 1.00 0.00 C ATOM 658 C PRO A 58 -7.120 13.158 6.123 1.00 0.00 C ATOM 659 O PRO A 58 -7.554 14.280 5.865 1.00 0.00 O ATOM 660 CB PRO A 58 -9.128 12.219 7.291 1.00 0.00 C ATOM 661 CG PRO A 58 -8.537 11.666 8.540 1.00 0.00 C ATOM 662 CD PRO A 58 -7.693 10.488 8.123 1.00 0.00 C ATOM 0 HA PRO A 58 -8.461 11.850 5.210 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.344 13.283 7.392 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.068 11.725 7.044 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.933 12.416 9.050 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.317 11.358 9.236 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.772 10.430 8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.221 9.546 8.269 1.00 0.00 H new ATOM 670 N ARG A 59 -5.829 12.919 6.325 1.00 0.00 N ATOM 671 CA ARG A 59 -4.841 13.988 6.253 1.00 0.00 C ATOM 672 C ARG A 59 -3.584 13.523 5.527 1.00 0.00 C ATOM 673 O ARG A 59 -2.593 13.151 6.157 1.00 0.00 O ATOM 674 CB ARG A 59 -4.483 14.480 7.657 1.00 0.00 C ATOM 675 CG ARG A 59 -5.673 15.016 8.440 1.00 0.00 C ATOM 676 CD ARG A 59 -5.583 16.521 8.640 1.00 0.00 C ATOM 677 NE ARG A 59 -6.168 17.259 7.521 1.00 0.00 N ATOM 678 CZ ARG A 59 -5.461 17.803 6.530 1.00 0.00 C ATOM 679 NH1 ARG A 59 -4.139 17.695 6.504 1.00 0.00 N ATOM 680 NH2 ARG A 59 -6.082 18.457 5.558 1.00 0.00 N ATOM 0 H ARG A 59 -5.444 11.999 6.539 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.278 14.812 5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.032 13.660 8.215 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.730 15.264 7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.595 14.774 7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.722 14.522 9.410 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.095 16.795 9.562 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.538 16.809 8.758 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.182 17.364 7.497 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.654 17.192 7.247 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.608 18.115 5.741 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.098 18.543 5.570 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.543 18.874 4.799 1.00 0.00 H new ATOM 694 N GLY A 60 -3.630 13.553 4.200 1.00 0.00 N ATOM 695 CA GLY A 60 -2.488 13.136 3.411 1.00 0.00 C ATOM 696 C GLY A 60 -2.659 13.441 1.936 1.00 0.00 C ATOM 697 O GLY A 60 -3.754 13.765 1.486 1.00 0.00 O ATOM 0 H GLY A 60 -4.438 13.859 3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.593 13.636 3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.332 12.065 3.542 1.00 0.00 H new ATOM 701 N ALA A 61 -1.565 13.346 1.190 1.00 0.00 N ATOM 702 CA ALA A 61 -1.580 13.625 -0.243 1.00 0.00 C ATOM 703 C ALA A 61 -2.547 12.718 -0.999 1.00 0.00 C ATOM 704 O ALA A 61 -3.212 13.157 -1.936 1.00 0.00 O ATOM 705 CB ALA A 61 -0.177 13.492 -0.814 1.00 0.00 C ATOM 0 H ALA A 61 -0.651 13.077 1.555 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.931 14.649 -0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.198 13.702 -1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.486 14.201 -0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.188 12.478 -0.650 1.00 0.00 H new ATOM 711 N ALA A 62 -2.610 11.452 -0.605 1.00 0.00 N ATOM 712 CA ALA A 62 -3.487 10.491 -1.269 1.00 0.00 C ATOM 713 C ALA A 62 -4.937 10.958 -1.282 1.00 0.00 C ATOM 714 O ALA A 62 -5.557 11.042 -2.343 1.00 0.00 O ATOM 715 CB ALA A 62 -3.376 9.125 -0.610 1.00 0.00 C ATOM 0 H ALA A 62 -2.067 11.066 0.168 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.159 10.413 -2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.036 8.422 -1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.347 8.771 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.665 9.202 0.438 1.00 0.00 H new ATOM 721 N ILE A 63 -5.483 11.252 -0.109 1.00 0.00 N ATOM 722 CA ILE A 63 -6.863 11.695 -0.012 1.00 0.00 C ATOM 723 C ILE A 63 -7.089 12.996 -0.780 1.00 0.00 C ATOM 724 O ILE A 63 -8.169 13.223 -1.327 1.00 0.00 O ATOM 725 CB ILE A 63 -7.303 11.846 1.459 1.00 0.00 C ATOM 726 CG1 ILE A 63 -8.741 11.358 1.605 1.00 0.00 C ATOM 727 CG2 ILE A 63 -7.159 13.283 1.951 1.00 0.00 C ATOM 728 CD1 ILE A 63 -9.159 11.136 3.036 1.00 0.00 C ATOM 0 H ILE A 63 -4.992 11.191 0.783 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.481 10.924 -0.471 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.648 11.236 2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.411 12.086 1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.858 10.426 1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.479 13.345 2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.116 13.591 1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.778 13.940 1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.192 10.790 3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.513 10.386 3.492 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.075 12.072 3.589 1.00 0.00 H new ATOM 740 N GLN A 64 -6.065 13.842 -0.831 1.00 0.00 N ATOM 741 CA GLN A 64 -6.163 15.108 -1.551 1.00 0.00 C ATOM 742 C GLN A 64 -6.191 14.858 -3.051 1.00 0.00 C ATOM 743 O GLN A 64 -6.983 15.454 -3.781 1.00 0.00 O ATOM 744 CB GLN A 64 -4.991 16.029 -1.202 1.00 0.00 C ATOM 745 CG GLN A 64 -4.592 15.985 0.263 1.00 0.00 C ATOM 746 CD GLN A 64 -4.711 17.334 0.944 1.00 0.00 C ATOM 747 OE1 GLN A 64 -5.814 17.841 1.154 1.00 0.00 O ATOM 748 NE2 GLN A 64 -3.574 17.923 1.293 1.00 0.00 N ATOM 0 H GLN A 64 -5.163 13.676 -0.385 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.089 15.597 -1.250 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.131 15.754 -1.812 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.254 17.053 -1.467 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.220 15.263 0.785 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.564 15.631 0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.683 17.466 1.099 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.591 18.832 1.755 1.00 0.00 H new ATOM 757 N ASP A 65 -5.318 13.965 -3.502 1.00 0.00 N ATOM 758 CA ASP A 65 -5.235 13.625 -4.917 1.00 0.00 C ATOM 759 C ASP A 65 -6.452 12.811 -5.347 1.00 0.00 C ATOM 760 O ASP A 65 -6.920 12.926 -6.480 1.00 0.00 O ATOM 761 CB ASP A 65 -3.953 12.841 -5.203 1.00 0.00 C ATOM 762 CG ASP A 65 -2.839 13.727 -5.727 1.00 0.00 C ATOM 763 OD1 ASP A 65 -2.954 14.207 -6.874 1.00 0.00 O ATOM 764 OD2 ASP A 65 -1.855 13.940 -4.990 1.00 0.00 O ATOM 0 H ASP A 65 -4.658 13.463 -2.908 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.216 14.552 -5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.621 12.346 -4.290 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.164 12.058 -5.931 1.00 0.00 H new ATOM 769 N GLY A 66 -6.957 11.986 -4.435 1.00 0.00 N ATOM 770 CA GLY A 66 -8.112 11.162 -4.740 1.00 0.00 C ATOM 771 C GLY A 66 -7.845 10.200 -5.880 1.00 0.00 C ATOM 772 O GLY A 66 -8.596 10.159 -6.855 1.00 0.00 O ATOM 0 H GLY A 66 -6.587 11.874 -3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.399 10.599 -3.852 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.955 11.803 -4.998 1.00 0.00 H new ATOM 776 N ARG A 67 -6.770 9.430 -5.759 1.00 0.00 N ATOM 777 CA ARG A 67 -6.400 8.466 -6.789 1.00 0.00 C ATOM 778 C ARG A 67 -6.282 7.060 -6.209 1.00 0.00 C ATOM 779 O ARG A 67 -6.743 6.090 -6.812 1.00 0.00 O ATOM 780 CB ARG A 67 -5.080 8.872 -7.443 1.00 0.00 C ATOM 781 CG ARG A 67 -5.140 10.209 -8.164 1.00 0.00 C ATOM 782 CD ARG A 67 -3.986 10.367 -9.140 1.00 0.00 C ATOM 783 NE ARG A 67 -4.393 11.047 -10.367 1.00 0.00 N ATOM 784 CZ ARG A 67 -3.602 11.201 -11.427 1.00 0.00 C ATOM 785 NH1 ARG A 67 -2.363 10.725 -11.415 1.00 0.00 N ATOM 786 NH2 ARG A 67 -4.051 11.835 -12.502 1.00 0.00 N ATOM 0 H ARG A 67 -6.139 9.454 -4.958 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.187 8.460 -7.543 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.305 8.916 -6.678 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.784 8.100 -8.153 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.085 10.293 -8.700 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.115 11.019 -7.435 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.183 10.930 -8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.584 9.385 -9.387 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.339 11.426 -10.415 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.012 10.238 -10.591 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.762 10.846 -12.230 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.002 12.204 -12.516 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.446 11.953 -13.314 1.00 0.00 H new ATOM 800 N LEU A 68 -5.661 6.956 -5.039 1.00 0.00 N ATOM 801 CA LEU A 68 -5.482 5.668 -4.382 1.00 0.00 C ATOM 802 C LEU A 68 -6.337 5.584 -3.118 1.00 0.00 C ATOM 803 O LEU A 68 -6.196 6.397 -2.204 1.00 0.00 O ATOM 804 CB LEU A 68 -3.994 5.445 -4.065 1.00 0.00 C ATOM 805 CG LEU A 68 -3.666 5.034 -2.627 1.00 0.00 C ATOM 806 CD1 LEU A 68 -4.215 3.645 -2.330 1.00 0.00 C ATOM 807 CD2 LEU A 68 -2.165 5.077 -2.392 1.00 0.00 C ATOM 0 H LEU A 68 -5.274 7.748 -4.527 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.812 4.877 -5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.611 4.677 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.454 6.364 -4.291 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.141 5.742 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.972 3.370 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.297 3.646 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.769 2.923 -3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.949 4.782 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.669 4.391 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.799 6.089 -2.564 1.00 0.00 H new ATOM 819 N LYS A 69 -7.229 4.599 -3.081 1.00 0.00 N ATOM 820 CA LYS A 69 -8.113 4.407 -1.938 1.00 0.00 C ATOM 821 C LYS A 69 -7.721 3.166 -1.140 1.00 0.00 C ATOM 822 O LYS A 69 -6.673 2.567 -1.382 1.00 0.00 O ATOM 823 CB LYS A 69 -9.555 4.289 -2.412 1.00 0.00 C ATOM 824 CG LYS A 69 -10.181 5.623 -2.766 1.00 0.00 C ATOM 825 CD LYS A 69 -11.475 5.427 -3.522 1.00 0.00 C ATOM 826 CE LYS A 69 -12.018 6.740 -4.061 1.00 0.00 C ATOM 827 NZ LYS A 69 -13.496 6.836 -3.907 1.00 0.00 N ATOM 0 H LYS A 69 -7.358 3.920 -3.831 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.017 5.274 -1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.591 3.636 -3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.149 3.813 -1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.369 6.194 -1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.487 6.206 -3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.312 4.735 -4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.215 4.970 -2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.544 7.571 -3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.756 6.836 -5.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.826 7.746 -4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.950 6.058 -4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.745 6.771 -2.899 1.00 0.00 H new ATOM 841 N ALA A 70 -8.572 2.786 -0.192 1.00 0.00 N ATOM 842 CA ALA A 70 -8.316 1.614 0.640 1.00 0.00 C ATOM 843 C ALA A 70 -8.698 0.330 -0.091 1.00 0.00 C ATOM 844 O ALA A 70 -9.395 0.366 -1.105 1.00 0.00 O ATOM 845 CB ALA A 70 -9.077 1.724 1.955 1.00 0.00 C ATOM 0 H ALA A 70 -9.444 3.271 0.019 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.248 1.575 0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.877 0.844 2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.753 2.617 2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.146 1.790 1.752 1.00 0.00 H new ATOM 851 N GLY A 71 -8.235 -0.802 0.430 1.00 0.00 N ATOM 852 CA GLY A 71 -8.538 -2.080 -0.189 1.00 0.00 C ATOM 853 C GLY A 71 -7.703 -2.342 -1.426 1.00 0.00 C ATOM 854 O GLY A 71 -8.006 -3.243 -2.209 1.00 0.00 O ATOM 0 H GLY A 71 -7.656 -0.857 1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.370 -2.878 0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.594 -2.109 -0.456 1.00 0.00 H new ATOM 858 N ASP A 72 -6.646 -1.554 -1.609 1.00 0.00 N ATOM 859 CA ASP A 72 -5.768 -1.705 -2.761 1.00 0.00 C ATOM 860 C ASP A 72 -4.597 -2.627 -2.432 1.00 0.00 C ATOM 861 O ASP A 72 -4.229 -2.788 -1.270 1.00 0.00 O ATOM 862 CB ASP A 72 -5.250 -0.340 -3.215 1.00 0.00 C ATOM 863 CG ASP A 72 -5.764 0.046 -4.589 1.00 0.00 C ATOM 864 OD1 ASP A 72 -6.013 -0.867 -5.405 1.00 0.00 O ATOM 865 OD2 ASP A 72 -5.916 1.258 -4.848 1.00 0.00 O ATOM 0 H ASP A 72 -6.379 -0.804 -0.972 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.343 -2.153 -3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.550 0.418 -2.492 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.160 -0.354 -3.229 1.00 0.00 H new ATOM 870 N ARG A 73 -4.016 -3.230 -3.463 1.00 0.00 N ATOM 871 CA ARG A 73 -2.887 -4.135 -3.280 1.00 0.00 C ATOM 872 C ARG A 73 -1.612 -3.544 -3.874 1.00 0.00 C ATOM 873 O ARG A 73 -1.458 -3.473 -5.094 1.00 0.00 O ATOM 874 CB ARG A 73 -3.186 -5.492 -3.923 1.00 0.00 C ATOM 875 CG ARG A 73 -2.038 -6.483 -3.821 1.00 0.00 C ATOM 876 CD ARG A 73 -2.379 -7.802 -4.493 1.00 0.00 C ATOM 877 NE ARG A 73 -2.234 -7.732 -5.945 1.00 0.00 N ATOM 878 CZ ARG A 73 -2.778 -8.609 -6.788 1.00 0.00 C ATOM 879 NH1 ARG A 73 -3.499 -9.622 -6.327 1.00 0.00 N ATOM 880 NH2 ARG A 73 -2.598 -8.470 -8.095 1.00 0.00 N ATOM 0 H ARG A 73 -4.307 -3.109 -4.433 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.734 -4.274 -2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.069 -5.922 -3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.431 -5.340 -4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.147 -6.058 -4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.800 -6.659 -2.772 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.731 -8.586 -4.102 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.403 -8.081 -4.244 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.684 -6.967 -6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.639 -9.733 -5.323 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.913 -10.290 -6.977 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.044 -7.692 -8.454 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.014 -9.141 -8.741 1.00 0.00 H new ATOM 894 N LEU A 74 -0.702 -3.123 -3.001 1.00 0.00 N ATOM 895 CA LEU A 74 0.562 -2.540 -3.430 1.00 0.00 C ATOM 896 C LEU A 74 1.372 -3.535 -4.253 1.00 0.00 C ATOM 897 O LEU A 74 1.727 -4.613 -3.775 1.00 0.00 O ATOM 898 CB LEU A 74 1.371 -2.085 -2.215 1.00 0.00 C ATOM 899 CG LEU A 74 1.342 -0.577 -1.956 1.00 0.00 C ATOM 900 CD1 LEU A 74 0.775 -0.279 -0.578 1.00 0.00 C ATOM 901 CD2 LEU A 74 2.734 0.021 -2.103 1.00 0.00 C ATOM 0 H LEU A 74 -0.818 -3.176 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 74 0.342 -1.677 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.994 -2.599 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.407 -2.397 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 74 0.692 -0.117 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.763 0.799 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.241 -0.667 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.396 -0.755 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.691 1.094 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.408 -0.446 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.101 -0.155 -3.114 1.00 0.00 H new ATOM 913 N ILE A 75 1.660 -3.158 -5.490 1.00 0.00 N ATOM 914 CA ILE A 75 2.428 -4.004 -6.390 1.00 0.00 C ATOM 915 C ILE A 75 3.825 -3.432 -6.609 1.00 0.00 C ATOM 916 O ILE A 75 4.770 -4.168 -6.893 1.00 0.00 O ATOM 917 CB ILE A 75 1.719 -4.156 -7.747 1.00 0.00 C ATOM 918 CG1 ILE A 75 0.328 -4.763 -7.536 1.00 0.00 C ATOM 919 CG2 ILE A 75 2.555 -5.013 -8.692 1.00 0.00 C ATOM 920 CD1 ILE A 75 -0.231 -5.465 -8.754 1.00 0.00 C ATOM 0 H ILE A 75 1.372 -2.267 -5.894 1.00 0.00 H new ATOM 0 HA ILE A 75 2.512 -4.986 -5.924 1.00 0.00 H new ATOM 0 HB ILE A 75 1.603 -3.173 -8.205 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.375 -5.473 -6.710 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.360 -3.972 -7.238 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.039 -5.111 -9.647 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.525 -4.541 -8.850 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.700 -6.001 -8.255 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.217 -5.866 -8.522 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.313 -4.755 -9.577 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.434 -6.280 -9.042 1.00 0.00 H new ATOM 932 N GLU A 76 3.947 -2.114 -6.479 1.00 0.00 N ATOM 933 CA GLU A 76 5.233 -1.447 -6.667 1.00 0.00 C ATOM 934 C GLU A 76 5.277 -0.105 -5.943 1.00 0.00 C ATOM 935 O GLU A 76 4.240 0.475 -5.620 1.00 0.00 O ATOM 936 CB GLU A 76 5.511 -1.238 -8.158 1.00 0.00 C ATOM 937 CG GLU A 76 5.544 -2.529 -8.959 1.00 0.00 C ATOM 938 CD GLU A 76 6.082 -2.328 -10.363 1.00 0.00 C ATOM 939 OE1 GLU A 76 6.841 -1.359 -10.575 1.00 0.00 O ATOM 940 OE2 GLU A 76 5.744 -3.140 -11.250 1.00 0.00 O ATOM 0 H GLU A 76 3.176 -1.489 -6.245 1.00 0.00 H new ATOM 0 HA GLU A 76 6.003 -2.090 -6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.745 -0.582 -8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.466 -0.725 -8.272 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.162 -3.260 -8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.538 -2.944 -9.015 1.00 0.00 H new ATOM 947 N VAL A 77 6.491 0.381 -5.693 1.00 0.00 N ATOM 948 CA VAL A 77 6.685 1.657 -5.012 1.00 0.00 C ATOM 949 C VAL A 77 7.924 2.374 -5.538 1.00 0.00 C ATOM 950 O VAL A 77 9.046 1.889 -5.383 1.00 0.00 O ATOM 951 CB VAL A 77 6.828 1.464 -3.489 1.00 0.00 C ATOM 952 CG1 VAL A 77 6.930 2.808 -2.781 1.00 0.00 C ATOM 953 CG2 VAL A 77 5.664 0.653 -2.943 1.00 0.00 C ATOM 0 H VAL A 77 7.357 -0.092 -5.953 1.00 0.00 H new ATOM 0 HA VAL A 77 5.802 2.263 -5.214 1.00 0.00 H new ATOM 0 HB VAL A 77 7.749 0.912 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.030 2.647 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.802 3.348 -3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.031 3.392 -2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.782 0.527 -1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.729 1.175 -3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.645 -0.325 -3.423 1.00 0.00 H new ATOM 963 N ASN A 78 7.717 3.529 -6.161 1.00 0.00 N ATOM 964 CA ASN A 78 8.820 4.313 -6.706 1.00 0.00 C ATOM 965 C ASN A 78 9.612 3.504 -7.730 1.00 0.00 C ATOM 966 O ASN A 78 10.823 3.678 -7.872 1.00 0.00 O ATOM 967 CB ASN A 78 9.742 4.783 -5.579 1.00 0.00 C ATOM 968 CG ASN A 78 9.702 6.287 -5.389 1.00 0.00 C ATOM 969 OD1 ASN A 78 9.655 7.047 -6.356 1.00 0.00 O ATOM 970 ND2 ASN A 78 9.722 6.725 -4.135 1.00 0.00 N ATOM 0 H ASN A 78 6.796 3.943 -6.301 1.00 0.00 H new ATOM 0 HA ASN A 78 8.401 5.184 -7.210 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.453 4.294 -4.649 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.764 4.474 -5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.698 7.727 -3.944 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.761 6.060 -3.363 1.00 0.00 H new ATOM 977 N GLY A 79 8.921 2.619 -8.442 1.00 0.00 N ATOM 978 CA GLY A 79 9.577 1.798 -9.442 1.00 0.00 C ATOM 979 C GLY A 79 10.206 0.546 -8.856 1.00 0.00 C ATOM 980 O GLY A 79 10.975 -0.141 -9.529 1.00 0.00 O ATOM 0 H GLY A 79 7.919 2.456 -8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.851 1.512 -10.204 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.347 2.387 -9.940 1.00 0.00 H new ATOM 984 N VAL A 80 9.879 0.247 -7.602 1.00 0.00 N ATOM 985 CA VAL A 80 10.417 -0.928 -6.932 1.00 0.00 C ATOM 986 C VAL A 80 9.348 -2.002 -6.761 1.00 0.00 C ATOM 987 O VAL A 80 8.166 -1.697 -6.612 1.00 0.00 O ATOM 988 CB VAL A 80 10.995 -0.578 -5.546 1.00 0.00 C ATOM 989 CG1 VAL A 80 11.504 -1.829 -4.840 1.00 0.00 C ATOM 990 CG2 VAL A 80 12.103 0.454 -5.677 1.00 0.00 C ATOM 0 H VAL A 80 9.243 0.804 -7.031 1.00 0.00 H new ATOM 0 HA VAL A 80 11.218 -1.308 -7.566 1.00 0.00 H new ATOM 0 HB VAL A 80 10.196 -0.150 -4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.907 -1.558 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.682 -2.533 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.287 -2.292 -5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.500 0.689 -4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.901 0.054 -6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.704 1.360 -6.133 1.00 0.00 H new ATOM 1000 N ASP A 81 9.777 -3.258 -6.776 1.00 0.00 N ATOM 1001 CA ASP A 81 8.863 -4.378 -6.611 1.00 0.00 C ATOM 1002 C ASP A 81 8.819 -4.816 -5.152 1.00 0.00 C ATOM 1003 O ASP A 81 9.834 -5.219 -4.585 1.00 0.00 O ATOM 1004 CB ASP A 81 9.288 -5.549 -7.500 1.00 0.00 C ATOM 1005 CG ASP A 81 8.160 -6.041 -8.384 1.00 0.00 C ATOM 1006 OD1 ASP A 81 7.042 -6.240 -7.865 1.00 0.00 O ATOM 1007 OD2 ASP A 81 8.393 -6.227 -9.599 1.00 0.00 O ATOM 0 H ASP A 81 10.753 -3.525 -6.901 1.00 0.00 H new ATOM 0 HA ASP A 81 7.865 -4.056 -6.910 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.128 -5.242 -8.124 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.639 -6.369 -6.873 1.00 0.00 H new ATOM 1012 N LEU A 82 7.637 -4.731 -4.549 1.00 0.00 N ATOM 1013 CA LEU A 82 7.464 -5.118 -3.153 1.00 0.00 C ATOM 1014 C LEU A 82 7.271 -6.626 -3.008 1.00 0.00 C ATOM 1015 O LEU A 82 6.856 -7.106 -1.954 1.00 0.00 O ATOM 1016 CB LEU A 82 6.268 -4.385 -2.544 1.00 0.00 C ATOM 1017 CG LEU A 82 6.128 -2.920 -2.955 1.00 0.00 C ATOM 1018 CD1 LEU A 82 4.849 -2.325 -2.382 1.00 0.00 C ATOM 1019 CD2 LEU A 82 7.340 -2.120 -2.503 1.00 0.00 C ATOM 0 H LEU A 82 6.787 -4.398 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 82 8.373 -4.839 -2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.357 -4.913 -2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.345 -4.436 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 82 6.072 -2.872 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.766 -1.281 -2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.989 -2.881 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.875 -2.386 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.222 -1.079 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.429 -2.176 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.239 -2.531 -2.962 1.00 0.00 H new ATOM 1031 N ALA A 83 7.569 -7.370 -4.070 1.00 0.00 N ATOM 1032 CA ALA A 83 7.421 -8.820 -4.045 1.00 0.00 C ATOM 1033 C ALA A 83 8.671 -9.492 -3.485 1.00 0.00 C ATOM 1034 O ALA A 83 9.359 -10.232 -4.189 1.00 0.00 O ATOM 1035 CB ALA A 83 7.117 -9.343 -5.442 1.00 0.00 C ATOM 0 H ALA A 83 7.913 -6.994 -4.954 1.00 0.00 H new ATOM 0 HA ALA A 83 6.586 -9.064 -3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.009 -10.427 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.191 -8.897 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.933 -9.080 -6.115 1.00 0.00 H new ATOM 1041 N GLY A 84 8.960 -9.228 -2.214 1.00 0.00 N ATOM 1042 CA GLY A 84 10.127 -9.817 -1.584 1.00 0.00 C ATOM 1043 C GLY A 84 10.687 -8.958 -0.465 1.00 0.00 C ATOM 1044 O GLY A 84 11.391 -9.457 0.412 1.00 0.00 O ATOM 0 H GLY A 84 8.408 -8.618 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.864 -10.797 -1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.900 -9.975 -2.336 1.00 0.00 H new ATOM 1048 N LYS A 85 10.379 -7.664 -0.497 1.00 0.00 N ATOM 1049 CA LYS A 85 10.866 -6.742 0.524 1.00 0.00 C ATOM 1050 C LYS A 85 10.229 -7.044 1.884 1.00 0.00 C ATOM 1051 O LYS A 85 10.662 -7.960 2.584 1.00 0.00 O ATOM 1052 CB LYS A 85 10.592 -5.294 0.106 1.00 0.00 C ATOM 1053 CG LYS A 85 11.637 -4.724 -0.838 1.00 0.00 C ATOM 1054 CD LYS A 85 11.293 -5.016 -2.289 1.00 0.00 C ATOM 1055 CE LYS A 85 12.357 -4.479 -3.234 1.00 0.00 C ATOM 1056 NZ LYS A 85 13.429 -5.479 -3.491 1.00 0.00 N ATOM 0 H LYS A 85 9.797 -7.232 -1.215 1.00 0.00 H new ATOM 0 HA LYS A 85 11.943 -6.877 0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.615 -5.242 -0.374 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.542 -4.670 0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.713 -3.647 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.613 -5.148 -0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.190 -6.092 -2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.329 -4.568 -2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.893 -4.194 -4.178 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.797 -3.577 -2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.134 -5.074 -4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.890 -5.733 -2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.014 -6.331 -3.920 1.00 0.00 H new ATOM 1070 N SER A 86 9.202 -6.275 2.255 1.00 0.00 N ATOM 1071 CA SER A 86 8.510 -6.463 3.530 1.00 0.00 C ATOM 1072 C SER A 86 7.629 -5.257 3.834 1.00 0.00 C ATOM 1073 O SER A 86 7.678 -4.249 3.132 1.00 0.00 O ATOM 1074 CB SER A 86 9.511 -6.672 4.670 1.00 0.00 C ATOM 1075 OG SER A 86 8.901 -6.465 5.933 1.00 0.00 O ATOM 0 H SER A 86 8.831 -5.513 1.687 1.00 0.00 H new ATOM 0 HA SER A 86 7.886 -7.353 3.448 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.917 -7.683 4.620 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.350 -5.986 4.551 1.00 0.00 H new ATOM 0 HG SER A 86 9.562 -6.607 6.643 1.00 0.00 H new ATOM 1081 N GLN A 87 6.833 -5.359 4.890 1.00 0.00 N ATOM 1082 CA GLN A 87 5.954 -4.264 5.283 1.00 0.00 C ATOM 1083 C GLN A 87 6.778 -3.098 5.795 1.00 0.00 C ATOM 1084 O GLN A 87 6.668 -1.979 5.296 1.00 0.00 O ATOM 1085 CB GLN A 87 4.969 -4.726 6.359 1.00 0.00 C ATOM 1086 CG GLN A 87 4.021 -3.634 6.828 1.00 0.00 C ATOM 1087 CD GLN A 87 3.303 -2.950 5.681 1.00 0.00 C ATOM 1088 OE1 GLN A 87 3.875 -2.106 4.992 1.00 0.00 O ATOM 1089 NE2 GLN A 87 2.044 -3.312 5.472 1.00 0.00 N ATOM 0 H GLN A 87 6.777 -6.184 5.488 1.00 0.00 H new ATOM 0 HA GLN A 87 5.386 -3.942 4.410 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.385 -5.560 5.970 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.529 -5.101 7.215 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.285 -4.065 7.507 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.582 -2.891 7.395 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.610 -4.016 6.069 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.510 -2.886 4.715 1.00 0.00 H new ATOM 1098 N GLU A 88 7.622 -3.376 6.777 1.00 0.00 N ATOM 1099 CA GLU A 88 8.489 -2.351 7.336 1.00 0.00 C ATOM 1100 C GLU A 88 9.443 -1.851 6.264 1.00 0.00 C ATOM 1101 O GLU A 88 9.844 -0.687 6.264 1.00 0.00 O ATOM 1102 CB GLU A 88 9.268 -2.900 8.534 1.00 0.00 C ATOM 1103 CG GLU A 88 9.171 -2.025 9.774 1.00 0.00 C ATOM 1104 CD GLU A 88 10.192 -0.905 9.780 1.00 0.00 C ATOM 1105 OE1 GLU A 88 11.404 -1.205 9.735 1.00 0.00 O ATOM 1106 OE2 GLU A 88 9.781 0.274 9.830 1.00 0.00 O ATOM 0 H GLU A 88 7.725 -4.298 7.201 1.00 0.00 H new ATOM 0 HA GLU A 88 7.877 -1.519 7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.897 -3.897 8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.317 -3.008 8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.170 -1.599 9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.310 -2.643 10.661 1.00 0.00 H new ATOM 1113 N GLU A 89 9.784 -2.738 5.332 1.00 0.00 N ATOM 1114 CA GLU A 89 10.670 -2.381 4.235 1.00 0.00 C ATOM 1115 C GLU A 89 9.947 -1.444 3.284 1.00 0.00 C ATOM 1116 O GLU A 89 10.422 -0.348 2.986 1.00 0.00 O ATOM 1117 CB GLU A 89 11.124 -3.632 3.484 1.00 0.00 C ATOM 1118 CG GLU A 89 12.247 -4.378 4.178 1.00 0.00 C ATOM 1119 CD GLU A 89 12.572 -5.700 3.509 1.00 0.00 C ATOM 1120 OE1 GLU A 89 12.881 -5.692 2.299 1.00 0.00 O ATOM 1121 OE2 GLU A 89 12.515 -6.742 4.196 1.00 0.00 O ATOM 0 H GLU A 89 9.460 -3.705 5.317 1.00 0.00 H new ATOM 0 HA GLU A 89 11.550 -1.882 4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.273 -4.302 3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.451 -3.348 2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.140 -3.753 4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.970 -4.559 5.217 1.00 0.00 H new ATOM 1128 N VAL A 90 8.784 -1.888 2.829 1.00 0.00 N ATOM 1129 CA VAL A 90 7.958 -1.103 1.920 1.00 0.00 C ATOM 1130 C VAL A 90 7.630 0.256 2.532 1.00 0.00 C ATOM 1131 O VAL A 90 7.737 1.292 1.872 1.00 0.00 O ATOM 1132 CB VAL A 90 6.651 -1.848 1.573 1.00 0.00 C ATOM 1133 CG1 VAL A 90 5.713 -0.961 0.766 1.00 0.00 C ATOM 1134 CG2 VAL A 90 6.960 -3.130 0.811 1.00 0.00 C ATOM 0 H VAL A 90 8.388 -2.795 3.076 1.00 0.00 H new ATOM 0 HA VAL A 90 8.526 -0.953 1.002 1.00 0.00 H new ATOM 0 HB VAL A 90 6.149 -2.107 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.801 -1.511 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.464 -0.072 1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.202 -0.664 -0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.029 -3.645 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.487 -2.887 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.586 -3.777 1.426 1.00 0.00 H new ATOM 1144 N VAL A 91 7.246 0.243 3.803 1.00 0.00 N ATOM 1145 CA VAL A 91 6.921 1.470 4.509 1.00 0.00 C ATOM 1146 C VAL A 91 8.159 2.349 4.636 1.00 0.00 C ATOM 1147 O VAL A 91 8.068 3.574 4.622 1.00 0.00 O ATOM 1148 CB VAL A 91 6.348 1.180 5.910 1.00 0.00 C ATOM 1149 CG1 VAL A 91 5.915 2.471 6.591 1.00 0.00 C ATOM 1150 CG2 VAL A 91 5.184 0.204 5.819 1.00 0.00 C ATOM 0 H VAL A 91 7.153 -0.605 4.363 1.00 0.00 H new ATOM 0 HA VAL A 91 6.160 1.992 3.929 1.00 0.00 H new ATOM 0 HB VAL A 91 7.132 0.723 6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.513 2.244 7.579 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.774 3.135 6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.147 2.959 5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.792 0.011 6.818 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.398 0.632 5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.527 -0.731 5.377 1.00 0.00 H new ATOM 1160 N SER A 92 9.318 1.707 4.752 1.00 0.00 N ATOM 1161 CA SER A 92 10.581 2.425 4.871 1.00 0.00 C ATOM 1162 C SER A 92 10.869 3.220 3.602 1.00 0.00 C ATOM 1163 O SER A 92 11.418 4.320 3.660 1.00 0.00 O ATOM 1164 CB SER A 92 11.723 1.447 5.151 1.00 0.00 C ATOM 1165 OG SER A 92 12.082 1.461 6.521 1.00 0.00 O ATOM 0 H SER A 92 9.408 0.691 4.766 1.00 0.00 H new ATOM 0 HA SER A 92 10.502 3.122 5.705 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.423 0.440 4.861 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.588 1.710 4.542 1.00 0.00 H new ATOM 0 HG SER A 92 11.528 0.818 7.011 1.00 0.00 H new ATOM 1171 N LEU A 93 10.492 2.659 2.455 1.00 0.00 N ATOM 1172 CA LEU A 93 10.710 3.330 1.176 1.00 0.00 C ATOM 1173 C LEU A 93 9.827 4.562 1.068 1.00 0.00 C ATOM 1174 O LEU A 93 10.305 5.660 0.786 1.00 0.00 O ATOM 1175 CB LEU A 93 10.425 2.393 0.001 1.00 0.00 C ATOM 1176 CG LEU A 93 10.783 0.931 0.237 1.00 0.00 C ATOM 1177 CD1 LEU A 93 10.368 0.079 -0.953 1.00 0.00 C ATOM 1178 CD2 LEU A 93 12.271 0.782 0.510 1.00 0.00 C ATOM 0 H LEU A 93 10.038 1.749 2.385 1.00 0.00 H new ATOM 0 HA LEU A 93 11.758 3.628 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.365 2.456 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.976 2.750 -0.869 1.00 0.00 H new ATOM 0 HG LEU A 93 10.238 0.582 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.632 -0.962 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.291 0.159 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.883 0.428 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.507 -0.269 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.837 1.150 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.538 1.358 1.396 1.00 0.00 H new ATOM 1190 N LEU A 94 8.534 4.370 1.297 1.00 0.00 N ATOM 1191 CA LEU A 94 7.581 5.470 1.229 1.00 0.00 C ATOM 1192 C LEU A 94 7.830 6.466 2.359 1.00 0.00 C ATOM 1193 O LEU A 94 7.601 7.665 2.205 1.00 0.00 O ATOM 1194 CB LEU A 94 6.144 4.941 1.285 1.00 0.00 C ATOM 1195 CG LEU A 94 5.648 4.533 2.672 1.00 0.00 C ATOM 1196 CD1 LEU A 94 5.075 5.736 3.406 1.00 0.00 C ATOM 1197 CD2 LEU A 94 4.610 3.427 2.559 1.00 0.00 C ATOM 0 H LEU A 94 8.122 3.466 1.531 1.00 0.00 H new ATOM 0 HA LEU A 94 7.720 5.987 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.477 5.708 0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.066 4.079 0.622 1.00 0.00 H new ATOM 0 HG LEU A 94 6.493 4.153 3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.726 5.428 4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.847 6.497 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.240 6.145 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.266 3.147 3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.764 3.781 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.054 2.559 2.072 1.00 0.00 H new ATOM 1209 N ARG A 95 8.307 5.964 3.492 1.00 0.00 N ATOM 1210 CA ARG A 95 8.598 6.816 4.640 1.00 0.00 C ATOM 1211 C ARG A 95 9.848 7.653 4.385 1.00 0.00 C ATOM 1212 O ARG A 95 9.976 8.769 4.891 1.00 0.00 O ATOM 1213 CB ARG A 95 8.784 5.974 5.903 1.00 0.00 C ATOM 1214 CG ARG A 95 7.473 5.598 6.578 1.00 0.00 C ATOM 1215 CD ARG A 95 7.461 6.003 8.044 1.00 0.00 C ATOM 1216 NE ARG A 95 6.180 5.712 8.682 1.00 0.00 N ATOM 1217 CZ ARG A 95 5.951 5.851 9.985 1.00 0.00 C ATOM 1218 NH1 ARG A 95 6.914 6.277 10.793 1.00 0.00 N ATOM 1219 NH2 ARG A 95 4.756 5.565 10.483 1.00 0.00 N ATOM 0 H ARG A 95 8.500 4.974 3.641 1.00 0.00 H new ATOM 0 HA ARG A 95 7.751 7.486 4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.326 5.064 5.647 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.403 6.526 6.610 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.645 6.081 6.060 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.316 4.522 6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.257 5.477 8.572 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.674 7.069 8.127 1.00 0.00 H new ATOM 0 HE ARG A 95 5.415 5.382 8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.835 6.500 10.416 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.733 6.382 11.791 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.012 5.238 9.867 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.581 5.672 11.482 1.00 0.00 H new ATOM 1233 N SER A 96 10.773 7.103 3.600 1.00 0.00 N ATOM 1234 CA SER A 96 12.017 7.793 3.279 1.00 0.00 C ATOM 1235 C SER A 96 11.745 9.112 2.568 1.00 0.00 C ATOM 1236 O SER A 96 12.414 10.115 2.821 1.00 0.00 O ATOM 1237 CB SER A 96 12.908 6.905 2.408 1.00 0.00 C ATOM 1238 OG SER A 96 14.253 7.349 2.433 1.00 0.00 O ATOM 0 H SER A 96 10.682 6.180 3.175 1.00 0.00 H new ATOM 0 HA SER A 96 12.532 8.008 4.215 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.855 5.875 2.761 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.539 6.910 1.382 1.00 0.00 H new ATOM 0 HG SER A 96 14.801 6.764 1.870 1.00 0.00 H new ATOM 1244 N THR A 97 10.758 9.108 1.677 1.00 0.00 N ATOM 1245 CA THR A 97 10.396 10.310 0.931 1.00 0.00 C ATOM 1246 C THR A 97 10.212 11.495 1.873 1.00 0.00 C ATOM 1247 O THR A 97 9.527 11.391 2.890 1.00 0.00 O ATOM 1248 CB THR A 97 9.113 10.073 0.126 1.00 0.00 C ATOM 1249 OG1 THR A 97 8.597 8.778 0.365 1.00 0.00 O ATOM 1250 CG2 THR A 97 9.304 10.212 -1.369 1.00 0.00 C ATOM 0 H THR A 97 10.195 8.287 1.454 1.00 0.00 H new ATOM 0 HA THR A 97 11.208 10.540 0.241 1.00 0.00 H new ATOM 0 HB THR A 97 8.423 10.845 0.465 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.183 8.750 1.253 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.356 10.031 -1.875 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.652 11.219 -1.599 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.042 9.486 -1.711 1.00 0.00 H new ATOM 1258 N LYS A 98 10.829 12.619 1.531 1.00 0.00 N ATOM 1259 CA LYS A 98 10.736 13.823 2.349 1.00 0.00 C ATOM 1260 C LYS A 98 9.877 14.878 1.665 1.00 0.00 C ATOM 1261 O LYS A 98 9.242 14.611 0.645 1.00 0.00 O ATOM 1262 CB LYS A 98 12.131 14.388 2.625 1.00 0.00 C ATOM 1263 CG LYS A 98 13.153 13.329 3.007 1.00 0.00 C ATOM 1264 CD LYS A 98 13.995 12.910 1.812 1.00 0.00 C ATOM 1265 CE LYS A 98 14.967 14.006 1.405 1.00 0.00 C ATOM 1266 NZ LYS A 98 15.737 13.642 0.183 1.00 0.00 N ATOM 0 H LYS A 98 11.400 12.723 0.692 1.00 0.00 H new ATOM 0 HA LYS A 98 10.267 13.553 3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.482 14.916 1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.064 15.122 3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.802 13.715 3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.641 12.458 3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.548 12.003 2.055 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.343 12.670 0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 98 14.417 14.930 1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.658 14.200 2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 16.388 14.416 -0.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 16.282 12.774 0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.079 13.481 -0.607 1.00 0.00 H new ATOM 1280 N MET A 99 9.861 16.082 2.231 1.00 0.00 N ATOM 1281 CA MET A 99 9.078 17.178 1.670 1.00 0.00 C ATOM 1282 C MET A 99 9.417 17.381 0.196 1.00 0.00 C ATOM 1283 O MET A 99 10.573 17.254 -0.207 1.00 0.00 O ATOM 1284 CB MET A 99 9.336 18.470 2.448 1.00 0.00 C ATOM 1285 CG MET A 99 9.161 18.325 3.951 1.00 0.00 C ATOM 1286 SD MET A 99 7.544 17.669 4.404 1.00 0.00 S ATOM 1287 CE MET A 99 7.868 15.909 4.363 1.00 0.00 C ATOM 0 H MET A 99 10.380 16.323 3.075 1.00 0.00 H new ATOM 0 HA MET A 99 8.022 16.920 1.753 1.00 0.00 H new ATOM 0 HB2 MET A 99 10.350 18.812 2.241 1.00 0.00 H new ATOM 0 HB3 MET A 99 8.659 19.243 2.085 1.00 0.00 H new ATOM 0 HG2 MET A 99 9.938 17.667 4.341 1.00 0.00 H new ATOM 0 HG3 MET A 99 9.300 19.297 4.424 1.00 0.00 H new ATOM 0 HE1 MET A 99 7.316 15.419 5.165 1.00 0.00 H new ATOM 0 HE2 MET A 99 7.550 15.503 3.403 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.935 15.732 4.496 1.00 0.00 H new ATOM 1297 N GLU A 100 8.402 17.686 -0.606 1.00 0.00 N ATOM 1298 CA GLU A 100 8.601 17.891 -2.037 1.00 0.00 C ATOM 1299 C GLU A 100 9.189 16.637 -2.676 1.00 0.00 C ATOM 1300 O GLU A 100 10.399 16.539 -2.880 1.00 0.00 O ATOM 1301 CB GLU A 100 9.523 19.089 -2.281 1.00 0.00 C ATOM 1302 CG GLU A 100 8.788 20.338 -2.739 1.00 0.00 C ATOM 1303 CD GLU A 100 9.730 21.467 -3.104 1.00 0.00 C ATOM 1304 OE1 GLU A 100 10.677 21.224 -3.882 1.00 0.00 O ATOM 1305 OE2 GLU A 100 9.519 22.598 -2.615 1.00 0.00 O ATOM 0 H GLU A 100 7.438 17.796 -0.292 1.00 0.00 H new ATOM 0 HA GLU A 100 7.633 18.096 -2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.065 19.313 -1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.266 18.819 -3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.167 20.094 -3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.117 20.671 -1.947 1.00 0.00 H new ATOM 1312 N GLY A 101 8.322 15.678 -2.978 1.00 0.00 N ATOM 1313 CA GLY A 101 8.763 14.439 -3.581 1.00 0.00 C ATOM 1314 C GLY A 101 7.601 13.531 -3.917 1.00 0.00 C ATOM 1315 O GLY A 101 7.010 12.909 -3.033 1.00 0.00 O ATOM 0 H GLY A 101 7.317 15.739 -2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.327 14.657 -4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.441 13.925 -2.900 1.00 0.00 H new ATOM 1319 N THR A 102 7.265 13.465 -5.198 1.00 0.00 N ATOM 1320 CA THR A 102 6.157 12.635 -5.654 1.00 0.00 C ATOM 1321 C THR A 102 6.507 11.154 -5.557 1.00 0.00 C ATOM 1322 O THR A 102 7.373 10.660 -6.278 1.00 0.00 O ATOM 1323 CB THR A 102 5.788 12.988 -7.096 1.00 0.00 C ATOM 1324 OG1 THR A 102 5.961 14.375 -7.332 1.00 0.00 O ATOM 1325 CG2 THR A 102 4.360 12.636 -7.454 1.00 0.00 C ATOM 0 H THR A 102 7.743 13.976 -5.940 1.00 0.00 H new ATOM 0 HA THR A 102 5.302 12.830 -5.007 1.00 0.00 H new ATOM 0 HB THR A 102 6.457 12.394 -7.718 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.159 14.736 -7.764 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.166 12.913 -8.490 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.208 11.564 -7.330 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.677 13.177 -6.800 1.00 0.00 H new ATOM 1333 N VAL A 103 5.820 10.452 -4.663 1.00 0.00 N ATOM 1334 CA VAL A 103 6.044 9.027 -4.467 1.00 0.00 C ATOM 1335 C VAL A 103 5.065 8.215 -5.306 1.00 0.00 C ATOM 1336 O VAL A 103 3.851 8.317 -5.132 1.00 0.00 O ATOM 1337 CB VAL A 103 5.883 8.627 -2.986 1.00 0.00 C ATOM 1338 CG1 VAL A 103 6.482 7.252 -2.729 1.00 0.00 C ATOM 1339 CG2 VAL A 103 6.508 9.670 -2.072 1.00 0.00 C ATOM 0 H VAL A 103 5.100 10.850 -4.060 1.00 0.00 H new ATOM 0 HA VAL A 103 7.067 8.815 -4.779 1.00 0.00 H new ATOM 0 HB VAL A 103 4.817 8.578 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.357 6.991 -1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.975 6.513 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.544 7.266 -2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.382 9.366 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.571 9.761 -2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.020 10.632 -2.230 1.00 0.00 H new ATOM 1349 N SER A 104 5.597 7.414 -6.222 1.00 0.00 N ATOM 1350 CA SER A 104 4.761 6.593 -7.090 1.00 0.00 C ATOM 1351 C SER A 104 4.386 5.289 -6.400 1.00 0.00 C ATOM 1352 O SER A 104 5.236 4.611 -5.827 1.00 0.00 O ATOM 1353 CB SER A 104 5.485 6.300 -8.405 1.00 0.00 C ATOM 1354 OG SER A 104 4.580 6.293 -9.495 1.00 0.00 O ATOM 0 H SER A 104 6.599 7.316 -6.383 1.00 0.00 H new ATOM 0 HA SER A 104 3.847 7.147 -7.305 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.257 7.051 -8.574 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.988 5.335 -8.340 1.00 0.00 H new ATOM 0 HG SER A 104 5.068 6.105 -10.324 1.00 0.00 H new ATOM 1360 N LEU A 105 3.103 4.948 -6.453 1.00 0.00 N ATOM 1361 CA LEU A 105 2.618 3.728 -5.826 1.00 0.00 C ATOM 1362 C LEU A 105 1.653 2.984 -6.742 1.00 0.00 C ATOM 1363 O LEU A 105 0.520 3.420 -6.953 1.00 0.00 O ATOM 1364 CB LEU A 105 1.927 4.051 -4.500 1.00 0.00 C ATOM 1365 CG LEU A 105 2.687 5.019 -3.592 1.00 0.00 C ATOM 1366 CD1 LEU A 105 1.717 5.905 -2.824 1.00 0.00 C ATOM 1367 CD2 LEU A 105 3.588 4.254 -2.634 1.00 0.00 C ATOM 0 H LEU A 105 2.384 5.498 -6.922 1.00 0.00 H new ATOM 0 HA LEU A 105 3.478 3.085 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.945 4.472 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.764 3.120 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 105 3.312 5.658 -4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.276 6.587 -2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.114 6.480 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.065 5.284 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.121 4.958 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.982 3.591 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.307 3.664 -3.203 1.00 0.00 H new ATOM 1379 N LEU A 106 2.104 1.853 -7.270 1.00 0.00 N ATOM 1380 CA LEU A 106 1.274 1.041 -8.150 1.00 0.00 C ATOM 1381 C LEU A 106 0.398 0.110 -7.322 1.00 0.00 C ATOM 1382 O LEU A 106 0.894 -0.819 -6.688 1.00 0.00 O ATOM 1383 CB LEU A 106 2.142 0.228 -9.111 1.00 0.00 C ATOM 1384 CG LEU A 106 1.368 -0.631 -10.113 1.00 0.00 C ATOM 1385 CD1 LEU A 106 0.896 0.215 -11.285 1.00 0.00 C ATOM 1386 CD2 LEU A 106 2.227 -1.789 -10.598 1.00 0.00 C ATOM 0 H LEU A 106 3.038 1.478 -7.104 1.00 0.00 H new ATOM 0 HA LEU A 106 0.638 1.703 -8.737 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.785 0.913 -9.663 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.794 -0.421 -8.527 1.00 0.00 H new ATOM 0 HG LEU A 106 0.492 -1.042 -9.612 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.347 -0.411 -11.988 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.244 1.009 -10.921 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.758 0.655 -11.787 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.660 -2.389 -11.310 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.122 -1.400 -11.083 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.515 -2.409 -9.749 1.00 0.00 H new ATOM 1398 N VAL A 107 -0.901 0.371 -7.320 1.00 0.00 N ATOM 1399 CA VAL A 107 -1.838 -0.439 -6.555 1.00 0.00 C ATOM 1400 C VAL A 107 -2.659 -1.344 -7.471 1.00 0.00 C ATOM 1401 O VAL A 107 -2.693 -1.143 -8.683 1.00 0.00 O ATOM 1402 CB VAL A 107 -2.786 0.451 -5.721 1.00 0.00 C ATOM 1403 CG1 VAL A 107 -1.990 1.474 -4.927 1.00 0.00 C ATOM 1404 CG2 VAL A 107 -3.809 1.144 -6.613 1.00 0.00 C ATOM 0 H VAL A 107 -1.330 1.137 -7.839 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.252 -1.062 -5.879 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.326 -0.188 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.672 2.093 -4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.304 0.959 -4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.422 2.104 -5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.464 1.764 -6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.292 1.770 -7.341 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.403 0.394 -7.136 1.00 0.00 H new ATOM 1414 N PHE A 108 -3.318 -2.336 -6.884 1.00 0.00 N ATOM 1415 CA PHE A 108 -4.138 -3.262 -7.655 1.00 0.00 C ATOM 1416 C PHE A 108 -5.484 -3.487 -6.972 1.00 0.00 C ATOM 1417 O PHE A 108 -5.544 -3.853 -5.798 1.00 0.00 O ATOM 1418 CB PHE A 108 -3.410 -4.596 -7.838 1.00 0.00 C ATOM 1419 CG PHE A 108 -4.196 -5.618 -8.615 1.00 0.00 C ATOM 1420 CD1 PHE A 108 -5.303 -6.236 -8.054 1.00 0.00 C ATOM 1421 CD2 PHE A 108 -3.828 -5.957 -9.907 1.00 0.00 C ATOM 1422 CE1 PHE A 108 -6.026 -7.175 -8.767 1.00 0.00 C ATOM 1423 CE2 PHE A 108 -4.548 -6.895 -10.625 1.00 0.00 C ATOM 1424 CZ PHE A 108 -5.648 -7.504 -10.053 1.00 0.00 C ATOM 0 H PHE A 108 -3.301 -2.519 -5.881 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.317 -2.823 -8.636 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.464 -4.415 -8.348 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.170 -5.006 -6.857 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -5.604 -5.981 -7.049 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.969 -5.483 -10.359 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -6.886 -7.650 -8.318 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -4.251 -7.151 -11.631 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.212 -8.237 -10.611 1.00 0.00 H new ATOM 1434 N ARG A 109 -6.565 -3.263 -7.715 1.00 0.00 N ATOM 1435 CA ARG A 109 -7.911 -3.440 -7.183 1.00 0.00 C ATOM 1436 C ARG A 109 -8.531 -4.741 -7.683 1.00 0.00 C ATOM 1437 O ARG A 109 -8.440 -5.068 -8.867 1.00 0.00 O ATOM 1438 CB ARG A 109 -8.796 -2.255 -7.574 1.00 0.00 C ATOM 1439 CG ARG A 109 -10.149 -2.249 -6.882 1.00 0.00 C ATOM 1440 CD ARG A 109 -10.686 -0.836 -6.720 1.00 0.00 C ATOM 1441 NE ARG A 109 -9.731 0.040 -6.046 1.00 0.00 N ATOM 1442 CZ ARG A 109 -9.909 1.350 -5.887 1.00 0.00 C ATOM 1443 NH1 ARG A 109 -11.003 1.938 -6.352 1.00 0.00 N ATOM 1444 NH2 ARG A 109 -8.991 2.073 -5.261 1.00 0.00 N ATOM 0 H ARG A 109 -6.534 -2.958 -8.688 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.840 -3.489 -6.096 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -8.273 -1.328 -7.338 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -8.950 -2.268 -8.653 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.857 -2.844 -7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.060 -2.720 -5.903 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -10.925 -0.425 -7.701 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.615 -0.865 -6.151 1.00 0.00 H new ATOM 0 HE ARG A 109 -8.877 -0.377 -5.675 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.713 1.386 -6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.135 2.942 -6.228 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -8.148 1.626 -4.901 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -9.128 3.076 -5.139 1.00 0.00 H new ATOM 1458 N GLN A 110 -9.160 -5.479 -6.774 1.00 0.00 N ATOM 1459 CA GLN A 110 -9.795 -6.744 -7.121 1.00 0.00 C ATOM 1460 C GLN A 110 -11.314 -6.608 -7.126 1.00 0.00 C ATOM 1461 O GLN A 110 -11.925 -6.314 -6.099 1.00 0.00 O ATOM 1462 CB GLN A 110 -9.366 -7.838 -6.139 1.00 0.00 C ATOM 1463 CG GLN A 110 -8.666 -9.013 -6.805 1.00 0.00 C ATOM 1464 CD GLN A 110 -7.346 -9.359 -6.143 1.00 0.00 C ATOM 1465 OE1 GLN A 110 -6.325 -8.718 -6.393 1.00 0.00 O ATOM 1466 NE2 GLN A 110 -7.360 -10.380 -5.293 1.00 0.00 N ATOM 0 H GLN A 110 -9.243 -5.222 -5.790 1.00 0.00 H new ATOM 0 HA GLN A 110 -9.474 -7.022 -8.125 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -8.700 -7.404 -5.393 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.245 -8.203 -5.608 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -9.321 -9.884 -6.778 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -8.491 -8.779 -7.855 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -8.229 -10.884 -5.115 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -6.502 -10.660 -4.818 1.00 0.00 H new ATOM 1475 N GLU A 111 -11.919 -6.824 -8.291 1.00 0.00 N ATOM 1476 CA GLU A 111 -13.367 -6.724 -8.431 1.00 0.00 C ATOM 1477 C GLU A 111 -14.065 -7.905 -7.763 1.00 0.00 C ATOM 1478 O GLU A 111 -13.467 -8.963 -7.567 1.00 0.00 O ATOM 1479 CB GLU A 111 -13.753 -6.662 -9.911 1.00 0.00 C ATOM 1480 CG GLU A 111 -13.233 -7.836 -10.724 1.00 0.00 C ATOM 1481 CD GLU A 111 -14.261 -8.368 -11.704 1.00 0.00 C ATOM 1482 OE1 GLU A 111 -14.741 -7.580 -12.547 1.00 0.00 O ATOM 1483 OE2 GLU A 111 -14.587 -9.570 -11.628 1.00 0.00 O ATOM 0 H GLU A 111 -11.428 -7.069 -9.151 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.691 -5.808 -7.937 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -14.839 -6.626 -9.994 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -13.370 -5.736 -10.339 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.341 -7.528 -11.270 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.933 -8.637 -10.048 1.00 0.00 H new ATOM 1490 N GLU A 112 -15.335 -7.716 -7.418 1.00 0.00 N ATOM 1491 CA GLU A 112 -16.117 -8.764 -6.774 1.00 0.00 C ATOM 1492 C GLU A 112 -16.215 -9.997 -7.669 1.00 0.00 C ATOM 1493 O GLU A 112 -16.709 -9.920 -8.793 1.00 0.00 O ATOM 1494 CB GLU A 112 -17.519 -8.248 -6.436 1.00 0.00 C ATOM 1495 CG GLU A 112 -17.887 -8.400 -4.967 1.00 0.00 C ATOM 1496 CD GLU A 112 -19.286 -8.951 -4.770 1.00 0.00 C ATOM 1497 OE1 GLU A 112 -20.249 -8.159 -4.833 1.00 0.00 O ATOM 1498 OE2 GLU A 112 -19.417 -10.174 -4.551 1.00 0.00 O ATOM 0 H GLU A 112 -15.844 -6.846 -7.574 1.00 0.00 H new ATOM 0 HA GLU A 112 -15.611 -9.048 -5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -17.586 -7.196 -6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -18.250 -8.783 -7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -17.169 -9.061 -4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -17.810 -7.431 -4.475 1.00 0.00 H new ATOM 1505 N ALA A 113 -15.744 -11.130 -7.161 1.00 0.00 N ATOM 1506 CA ALA A 113 -15.780 -12.377 -7.916 1.00 0.00 C ATOM 1507 C ALA A 113 -15.576 -13.579 -7.001 1.00 0.00 C ATOM 1508 O ALA A 113 -15.476 -13.436 -5.783 1.00 0.00 O ATOM 1509 CB ALA A 113 -14.724 -12.361 -9.011 1.00 0.00 C ATOM 0 H ALA A 113 -15.333 -11.211 -6.231 1.00 0.00 H new ATOM 0 HA ALA A 113 -16.764 -12.466 -8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -14.762 -13.298 -9.567 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -14.915 -11.529 -9.689 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.737 -12.245 -8.563 1.00 0.00 H new TER 1515 ALA A 113