USER MOD reduce.3.24.130724 H: found=0, std=0, add=1176, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1179 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 4 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 14 TYR OH : rot -2:sc= 0.756 USER MOD Set 2.2: B 68 SER OG : rot -120:sc= 0.67 USER MOD Set 3.1: A 55 ASN : amide:sc= -0.306 K(o=-0.31,f=-4.4!) USER MOD Set 3.2: B 25 LYS NZ :NH3+ -133:sc= 0 (180deg=0) USER MOD Set 4.1: A 21 HIS : no HD1:sc= -2.74! C(o=-3!,f=-4!) USER MOD Set 4.2: A 77 GLN : amide:sc= -0.298 K(o=-3,f=-4.2) USER MOD Set 5.1: A 57 SER OG : rot -116:sc= 0.0668 USER MOD Set 5.2: A 59 THR OG1 : rot 180:sc= 0.141 USER MOD Set 5.3: B 57 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 49 ASN : amide:sc= -2.32 X(o=-1.9,f=-1.8) USER MOD Set 6.2: A 51 THR OG1 : rot 96:sc= 0.417 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 147:sc= -0.818 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -100:sc= -0.444 USER MOD Single : A 38 ASN : amide:sc= -0.0398 K(o=-0.04,f=-1.1) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 47 LYS NZ :NH3+ -117:sc= 0 (180deg=-1.21) USER MOD Single : A 53 THR OG1 : rot -105:sc= -0.749 USER MOD Single : A 56 MET CE :methyl 136:sc= -0.957 (180deg=-1.67) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0532 USER MOD Single : A 68 SER OG : rot 89:sc= 0.725 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -141:sc= -0.798 (180deg=-3.94!) USER MOD Single : B 1 THR N :NH3+ -128:sc= 0.443 (180deg=0.00312) USER MOD Single : B 1 THR OG1 : rot 180:sc= -0.917 USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ -150:sc= 0.451 (180deg=0.142) USER MOD Single : B 14 TYR OH : rot 16:sc= -0.342 USER MOD Single : B 20 SER OG : rot 149:sc= -0.846 USER MOD Single : B 21 HIS : no HD1:sc= -2.46 X(o=-2.5,f=-2.9!) USER MOD Single : B 28 SER OG : rot 86:sc= 0.0322 USER MOD Single : B 29 GLN : amide:sc= 0.559 K(o=0.56,f=-4.2!) USER MOD Single : B 31 SER OG : rot -130:sc= 0 USER MOD Single : B 38 ASN : amide:sc= 0.219 X(o=0.22,f=0) USER MOD Single : B 40 GLN : amide:sc= -0.251 K(o=-0.25,f=-1.6!) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 ASN : amide:sc= -0.0938 X(o=-0.094,f=-0.39) USER MOD Single : B 51 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 THR OG1 : rot -120:sc= -0.768 USER MOD Single : B 55 ASN : amide:sc= -3.11! C(o=-3.1!,f=-5.6!) USER MOD Single : B 56 MET CE :methyl 146:sc= -1 (180deg=-2.68!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0.0477 USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 THR OG1 : rot 180:sc= 0.016 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 MET CE :methyl 166:sc= -0.693 (180deg=-1.17) USER MOD Single : B 77 GLN : amide:sc= -0.476 K(o=-0.48,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 2 15.379 -2.209 5.408 1.00 0.00 N ATOM 18 CA LYS A 2 15.706 -0.791 5.546 1.00 0.00 C ATOM 19 C LYS A 2 16.708 -0.357 4.481 1.00 0.00 C ATOM 20 O LYS A 2 17.709 -1.038 4.247 1.00 0.00 O ATOM 21 CB LYS A 2 16.273 -0.502 6.941 1.00 0.00 C ATOM 22 CG LYS A 2 15.294 -0.783 8.071 1.00 0.00 C ATOM 23 CD LYS A 2 15.430 -2.208 8.594 1.00 0.00 C ATOM 24 CE LYS A 2 15.504 -2.243 10.114 1.00 0.00 C ATOM 25 NZ LYS A 2 14.188 -1.947 10.751 1.00 0.00 N ATOM 0 HA LYS A 2 14.786 -0.222 5.412 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.169 -1.104 7.091 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.579 0.543 6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 2 15.466 -0.079 8.885 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.275 -0.620 7.719 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.581 -2.802 8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 2 16.326 -2.666 8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.849 -3.226 10.436 1.00 0.00 H new ATOM 0 HE3 LYS A 2 16.242 -1.518 10.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.287 -1.982 11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.870 -0.999 10.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.488 -2.653 10.446 1.00 0.00 H new ATOM 39 N VAL A 3 16.431 0.778 3.844 1.00 0.00 N ATOM 40 CA VAL A 3 17.299 1.315 2.800 1.00 0.00 C ATOM 41 C VAL A 3 18.127 2.482 3.331 1.00 0.00 C ATOM 42 O VAL A 3 17.577 3.445 3.866 1.00 0.00 O ATOM 43 CB VAL A 3 16.482 1.808 1.585 1.00 0.00 C ATOM 44 CG1 VAL A 3 17.405 2.219 0.445 1.00 0.00 C ATOM 45 CG2 VAL A 3 15.492 0.745 1.127 1.00 0.00 C ATOM 0 H VAL A 3 15.606 1.347 4.035 1.00 0.00 H new ATOM 0 HA VAL A 3 17.957 0.504 2.487 1.00 0.00 H new ATOM 0 HB VAL A 3 15.913 2.685 1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 3 16.809 2.563 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 3 18.059 3.024 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 3 18.009 1.364 0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 3 14.929 1.117 0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 3 16.033 -0.157 0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 3 14.804 0.514 1.940 1.00 0.00 H new ATOM 55 N THR A 4 19.447 2.393 3.177 1.00 0.00 N ATOM 56 CA THR A 4 20.342 3.451 3.640 1.00 0.00 C ATOM 57 C THR A 4 21.279 3.899 2.516 1.00 0.00 C ATOM 58 O THR A 4 22.219 3.187 2.159 1.00 0.00 O ATOM 59 CB THR A 4 21.155 2.980 4.853 1.00 0.00 C ATOM 60 OG1 THR A 4 20.398 2.095 5.663 1.00 0.00 O ATOM 61 CG2 THR A 4 21.622 4.118 5.737 1.00 0.00 C ATOM 0 H THR A 4 19.918 1.603 2.737 1.00 0.00 H new ATOM 0 HA THR A 4 19.731 4.302 3.941 1.00 0.00 H new ATOM 0 HB THR A 4 22.027 2.479 4.433 1.00 0.00 H new ATOM 0 HG1 THR A 4 20.939 1.808 6.428 1.00 0.00 H new ATOM 0 HG21 THR A 4 22.191 3.717 6.576 1.00 0.00 H new ATOM 0 HG22 THR A 4 22.254 4.792 5.159 1.00 0.00 H new ATOM 0 HG23 THR A 4 20.757 4.665 6.113 1.00 0.00 H new ATOM 69 N LEU A 5 21.009 5.082 1.964 1.00 0.00 N ATOM 70 CA LEU A 5 21.818 5.635 0.877 1.00 0.00 C ATOM 71 C LEU A 5 22.736 6.744 1.391 1.00 0.00 C ATOM 72 O LEU A 5 22.492 7.320 2.451 1.00 0.00 O ATOM 73 CB LEU A 5 20.914 6.183 -0.233 1.00 0.00 C ATOM 74 CG LEU A 5 19.852 5.210 -0.755 1.00 0.00 C ATOM 75 CD1 LEU A 5 18.955 5.900 -1.774 1.00 0.00 C ATOM 76 CD2 LEU A 5 20.507 3.980 -1.365 1.00 0.00 C ATOM 0 H LEU A 5 20.233 5.678 2.253 1.00 0.00 H new ATOM 0 HA LEU A 5 22.435 4.832 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 5 20.413 7.077 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 5 21.541 6.493 -1.069 1.00 0.00 H new ATOM 0 HG LEU A 5 19.236 4.888 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 5 18.206 5.196 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 5 18.458 6.749 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 5 19.558 6.250 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 5 19.737 3.301 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 5 21.147 4.282 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 5 21.107 3.475 -0.609 1.00 0.00 H new ATOM 88 N VAL A 6 23.792 7.040 0.632 1.00 0.00 N ATOM 89 CA VAL A 6 24.743 8.083 1.014 1.00 0.00 C ATOM 90 C VAL A 6 25.112 8.955 -0.187 1.00 0.00 C ATOM 91 O VAL A 6 25.860 8.525 -1.066 1.00 0.00 O ATOM 92 CB VAL A 6 26.033 7.482 1.620 1.00 0.00 C ATOM 93 CG1 VAL A 6 26.887 8.569 2.262 1.00 0.00 C ATOM 94 CG2 VAL A 6 25.700 6.393 2.634 1.00 0.00 C ATOM 0 H VAL A 6 24.009 6.573 -0.248 1.00 0.00 H new ATOM 0 HA VAL A 6 24.253 8.697 1.770 1.00 0.00 H new ATOM 0 HB VAL A 6 26.607 7.030 0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.789 8.123 2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 6 27.164 9.307 1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 6 26.320 9.056 3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 6 26.623 5.985 3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 6 25.099 6.817 3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 6 25.140 5.597 2.143 1.00 0.00 H new ATOM 104 N LYS A 7 24.590 10.186 -0.215 1.00 0.00 N ATOM 105 CA LYS A 7 24.872 11.122 -1.313 1.00 0.00 C ATOM 106 C LYS A 7 26.189 11.875 -1.100 1.00 0.00 C ATOM 107 O LYS A 7 26.390 12.959 -1.654 1.00 0.00 O ATOM 108 CB LYS A 7 23.721 12.121 -1.471 1.00 0.00 C ATOM 109 CG LYS A 7 23.566 13.082 -0.304 1.00 0.00 C ATOM 110 CD LYS A 7 23.037 14.434 -0.758 1.00 0.00 C ATOM 111 CE LYS A 7 21.540 14.561 -0.516 1.00 0.00 C ATOM 112 NZ LYS A 7 20.986 15.824 -1.079 1.00 0.00 N ATOM 0 H LYS A 7 23.972 10.558 0.506 1.00 0.00 H new ATOM 0 HA LYS A 7 24.969 10.532 -2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 7 23.877 12.697 -2.383 1.00 0.00 H new ATOM 0 HB3 LYS A 7 22.790 11.569 -1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 7 22.887 12.654 0.433 1.00 0.00 H new ATOM 0 HG3 LYS A 7 24.529 13.214 0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 7 23.561 15.228 -0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 7 23.247 14.570 -1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 7 21.027 13.710 -0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 7 21.342 14.525 0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.964 15.869 -0.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 21.456 16.638 -0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.151 15.848 -2.106 1.00 0.00 H new ATOM 212 N GLU A 13 23.313 11.704 -6.776 1.00 0.00 N ATOM 213 CA GLU A 13 22.169 11.859 -5.883 1.00 0.00 C ATOM 214 C GLU A 13 21.372 10.558 -5.801 1.00 0.00 C ATOM 215 O GLU A 13 21.701 9.573 -6.465 1.00 0.00 O ATOM 216 CB GLU A 13 21.266 13.005 -6.357 1.00 0.00 C ATOM 217 CG GLU A 13 21.455 14.295 -5.570 1.00 0.00 C ATOM 218 CD GLU A 13 20.532 15.409 -6.030 1.00 0.00 C ATOM 219 OE1 GLU A 13 20.559 15.749 -7.231 1.00 0.00 O ATOM 220 OE2 GLU A 13 19.781 15.941 -5.185 1.00 0.00 O ATOM 0 HA GLU A 13 22.543 12.101 -4.888 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.464 13.200 -7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 13 20.225 12.692 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 13 21.280 14.098 -4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 13 22.490 14.625 -5.666 1.00 0.00 H new ATOM 227 N TYR A 14 20.325 10.560 -4.978 1.00 0.00 N ATOM 228 CA TYR A 14 19.479 9.378 -4.804 1.00 0.00 C ATOM 229 C TYR A 14 18.713 9.054 -6.084 1.00 0.00 C ATOM 230 O TYR A 14 18.670 7.899 -6.509 1.00 0.00 O ATOM 231 CB TYR A 14 18.495 9.581 -3.649 1.00 0.00 C ATOM 232 CG TYR A 14 19.116 10.225 -2.426 1.00 0.00 C ATOM 233 CD1 TYR A 14 20.142 9.595 -1.732 1.00 0.00 C ATOM 234 CD2 TYR A 14 18.679 11.463 -1.970 1.00 0.00 C ATOM 235 CE1 TYR A 14 20.716 10.180 -0.621 1.00 0.00 C ATOM 236 CE2 TYR A 14 19.246 12.055 -0.859 1.00 0.00 C ATOM 237 CZ TYR A 14 20.263 11.409 -0.187 1.00 0.00 C ATOM 238 OH TYR A 14 20.832 11.998 0.920 1.00 0.00 O ATOM 0 H TYR A 14 20.041 11.366 -4.421 1.00 0.00 H new ATOM 0 HA TYR A 14 20.133 8.538 -4.570 1.00 0.00 H new ATOM 0 HB2 TYR A 14 17.667 10.200 -3.994 1.00 0.00 H new ATOM 0 HB3 TYR A 14 18.075 8.615 -3.367 1.00 0.00 H new ATOM 0 HD1 TYR A 14 20.496 8.631 -2.067 1.00 0.00 H new ATOM 0 HD2 TYR A 14 17.882 11.971 -2.494 1.00 0.00 H new ATOM 0 HE1 TYR A 14 21.515 9.679 -0.095 1.00 0.00 H new ATOM 0 HE2 TYR A 14 18.895 13.018 -0.518 1.00 0.00 H new ATOM 0 HH TYR A 14 21.514 11.402 1.294 1.00 0.00 H new ATOM 248 N GLY A 15 18.111 10.082 -6.690 1.00 0.00 N ATOM 249 CA GLY A 15 17.354 9.893 -7.917 1.00 0.00 C ATOM 250 C GLY A 15 16.260 8.847 -7.779 1.00 0.00 C ATOM 251 O GLY A 15 16.186 7.919 -8.580 1.00 0.00 O ATOM 0 H GLY A 15 18.136 11.043 -6.349 1.00 0.00 H new ATOM 0 HA2 GLY A 15 16.907 10.842 -8.213 1.00 0.00 H new ATOM 0 HA3 GLY A 15 18.034 9.598 -8.716 1.00 0.00 H new ATOM 255 N LEU A 16 15.411 8.992 -6.762 1.00 0.00 N ATOM 256 CA LEU A 16 14.320 8.043 -6.538 1.00 0.00 C ATOM 257 C LEU A 16 12.967 8.749 -6.570 1.00 0.00 C ATOM 258 O LEU A 16 12.734 9.706 -5.829 1.00 0.00 O ATOM 259 CB LEU A 16 14.507 7.301 -5.206 1.00 0.00 C ATOM 260 CG LEU A 16 14.619 8.190 -3.962 1.00 0.00 C ATOM 261 CD1 LEU A 16 13.294 8.238 -3.214 1.00 0.00 C ATOM 262 CD2 LEU A 16 15.729 7.686 -3.047 1.00 0.00 C ATOM 0 H LEU A 16 15.456 9.752 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 16 14.342 7.311 -7.346 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.667 6.620 -5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.406 6.689 -5.275 1.00 0.00 H new ATOM 0 HG LEU A 16 14.867 9.201 -4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.395 8.874 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.522 8.643 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.015 7.231 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.796 8.328 -2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.508 6.665 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 16 16.678 7.704 -3.582 1.00 0.00 H new ATOM 274 N ARG A 17 12.076 8.266 -7.437 1.00 0.00 N ATOM 275 CA ARG A 17 10.739 8.840 -7.575 1.00 0.00 C ATOM 276 C ARG A 17 9.866 8.464 -6.382 1.00 0.00 C ATOM 277 O ARG A 17 9.612 7.284 -6.135 1.00 0.00 O ATOM 278 CB ARG A 17 10.081 8.363 -8.875 1.00 0.00 C ATOM 279 CG ARG A 17 10.288 9.306 -10.048 1.00 0.00 C ATOM 280 CD ARG A 17 9.359 8.967 -11.205 1.00 0.00 C ATOM 281 NE ARG A 17 8.920 10.160 -11.930 1.00 0.00 N ATOM 282 CZ ARG A 17 7.855 10.196 -12.738 1.00 0.00 C ATOM 283 NH1 ARG A 17 7.119 9.106 -12.936 1.00 0.00 N ATOM 284 NH2 ARG A 17 7.528 11.329 -13.353 1.00 0.00 N ATOM 0 H ARG A 17 12.258 7.476 -8.056 1.00 0.00 H new ATOM 0 HA ARG A 17 10.838 9.925 -7.608 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.479 7.382 -9.134 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.012 8.238 -8.706 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.112 10.333 -9.727 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.324 9.250 -10.383 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.870 8.293 -11.893 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.488 8.434 -10.825 1.00 0.00 H new ATOM 0 HE ARG A 17 9.460 11.017 -11.812 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.365 8.233 -12.470 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.308 9.143 -13.554 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.089 12.168 -13.208 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.716 11.359 -13.970 1.00 0.00 H new ATOM 298 N LEU A 18 9.410 9.474 -5.642 1.00 0.00 N ATOM 299 CA LEU A 18 8.567 9.249 -4.473 1.00 0.00 C ATOM 300 C LEU A 18 7.121 9.653 -4.748 1.00 0.00 C ATOM 301 O LEU A 18 6.854 10.762 -5.213 1.00 0.00 O ATOM 302 CB LEU A 18 9.109 10.029 -3.271 1.00 0.00 C ATOM 303 CG LEU A 18 8.944 9.340 -1.913 1.00 0.00 C ATOM 304 CD1 LEU A 18 7.471 9.195 -1.556 1.00 0.00 C ATOM 305 CD2 LEU A 18 9.634 7.981 -1.914 1.00 0.00 C ATOM 0 H LEU A 18 9.611 10.456 -5.833 1.00 0.00 H new ATOM 0 HA LEU A 18 8.585 8.183 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.169 10.224 -3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.609 10.997 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 18 9.417 9.964 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.378 8.703 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.010 10.181 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.969 8.597 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.506 7.507 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.194 7.350 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.697 8.113 -2.116 1.00 0.00 H new ATOM 317 N ALA A 19 6.193 8.746 -4.450 1.00 0.00 N ATOM 318 CA ALA A 19 4.771 8.999 -4.653 1.00 0.00 C ATOM 319 C ALA A 19 3.967 8.605 -3.415 1.00 0.00 C ATOM 320 O ALA A 19 4.534 8.149 -2.417 1.00 0.00 O ATOM 321 CB ALA A 19 4.273 8.247 -5.879 1.00 0.00 C ATOM 0 H ALA A 19 6.404 7.825 -4.065 1.00 0.00 H new ATOM 0 HA ALA A 19 4.631 10.067 -4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.210 8.444 -6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.824 8.580 -6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.428 7.177 -5.738 1.00 0.00 H new ATOM 327 N SER A 20 2.647 8.783 -3.476 1.00 0.00 N ATOM 328 CA SER A 20 1.783 8.442 -2.350 1.00 0.00 C ATOM 329 C SER A 20 0.530 7.699 -2.803 1.00 0.00 C ATOM 330 O SER A 20 0.096 7.820 -3.951 1.00 0.00 O ATOM 331 CB SER A 20 1.394 9.700 -1.569 1.00 0.00 C ATOM 332 OG SER A 20 0.483 10.503 -2.302 1.00 0.00 O ATOM 0 H SER A 20 2.157 9.159 -4.288 1.00 0.00 H new ATOM 0 HA SER A 20 2.349 7.777 -1.697 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.946 9.415 -0.617 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.289 10.279 -1.340 1.00 0.00 H new ATOM 0 HG SER A 20 -0.127 10.954 -1.682 1.00 0.00 H new ATOM 338 N HIS A 21 -0.043 6.932 -1.884 1.00 0.00 N ATOM 339 CA HIS A 21 -1.246 6.158 -2.155 1.00 0.00 C ATOM 340 C HIS A 21 -2.337 6.491 -1.137 1.00 0.00 C ATOM 341 O HIS A 21 -2.101 7.244 -0.188 1.00 0.00 O ATOM 342 CB HIS A 21 -0.927 4.664 -2.098 1.00 0.00 C ATOM 343 CG HIS A 21 -1.002 3.985 -3.426 1.00 0.00 C ATOM 344 ND1 HIS A 21 -1.889 2.968 -3.700 1.00 0.00 N ATOM 345 CD2 HIS A 21 -0.295 4.181 -4.561 1.00 0.00 C ATOM 346 CE1 HIS A 21 -1.725 2.568 -4.946 1.00 0.00 C ATOM 347 NE2 HIS A 21 -0.763 3.287 -5.491 1.00 0.00 N ATOM 0 H HIS A 21 0.312 6.830 -0.933 1.00 0.00 H new ATOM 0 HA HIS A 21 -1.606 6.413 -3.152 1.00 0.00 H new ATOM 0 HB2 HIS A 21 0.074 4.530 -1.687 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.621 4.179 -1.412 1.00 0.00 H new ATOM 0 HD2 HIS A 21 0.492 4.906 -4.709 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.284 1.785 -5.437 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -0.422 3.194 -6.448 1.00 0.00 H new ATOM 356 N ILE A 22 -3.526 5.924 -1.334 1.00 0.00 N ATOM 357 CA ILE A 22 -4.646 6.162 -0.431 1.00 0.00 C ATOM 358 C ILE A 22 -5.359 4.859 -0.083 1.00 0.00 C ATOM 359 O ILE A 22 -5.668 4.054 -0.964 1.00 0.00 O ATOM 360 CB ILE A 22 -5.657 7.157 -1.040 1.00 0.00 C ATOM 361 CG1 ILE A 22 -4.956 8.465 -1.425 1.00 0.00 C ATOM 362 CG2 ILE A 22 -6.795 7.429 -0.065 1.00 0.00 C ATOM 363 CD1 ILE A 22 -4.447 9.257 -0.239 1.00 0.00 C ATOM 0 H ILE A 22 -3.737 5.297 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.235 6.595 0.481 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.077 6.711 -1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.119 8.237 -2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.650 9.085 -1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.497 8.133 -0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.311 6.496 0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.392 7.853 0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.963 10.168 -0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.283 9.517 0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.728 8.656 0.318 1.00 0.00 H new ATOM 375 N PHE A 23 -5.614 4.658 1.207 1.00 0.00 N ATOM 376 CA PHE A 23 -6.287 3.450 1.680 1.00 0.00 C ATOM 377 C PHE A 23 -7.274 3.776 2.803 1.00 0.00 C ATOM 378 O PHE A 23 -7.380 4.925 3.234 1.00 0.00 O ATOM 379 CB PHE A 23 -5.254 2.426 2.166 1.00 0.00 C ATOM 380 CG PHE A 23 -4.561 2.829 3.440 1.00 0.00 C ATOM 381 CD1 PHE A 23 -3.692 3.907 3.459 1.00 0.00 C ATOM 382 CD2 PHE A 23 -4.786 2.132 4.617 1.00 0.00 C ATOM 383 CE1 PHE A 23 -3.062 4.284 4.628 1.00 0.00 C ATOM 384 CE2 PHE A 23 -4.156 2.505 5.788 1.00 0.00 C ATOM 385 CZ PHE A 23 -3.293 3.583 5.794 1.00 0.00 C ATOM 0 H PHE A 23 -5.365 5.317 1.945 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.847 3.024 0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.749 1.467 2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.507 2.278 1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.505 4.459 2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.461 1.289 4.618 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.388 5.128 4.630 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.338 1.954 6.699 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.800 3.877 6.709 1.00 0.00 H new ATOM 395 N VAL A 24 -7.992 2.755 3.274 1.00 0.00 N ATOM 396 CA VAL A 24 -8.969 2.936 4.346 1.00 0.00 C ATOM 397 C VAL A 24 -8.418 2.454 5.687 1.00 0.00 C ATOM 398 O VAL A 24 -8.181 1.261 5.883 1.00 0.00 O ATOM 399 CB VAL A 24 -10.289 2.196 4.048 1.00 0.00 C ATOM 400 CG1 VAL A 24 -11.376 2.611 5.029 1.00 0.00 C ATOM 401 CG2 VAL A 24 -10.736 2.448 2.614 1.00 0.00 C ATOM 0 H VAL A 24 -7.915 1.798 2.931 1.00 0.00 H new ATOM 0 HA VAL A 24 -9.171 4.006 4.403 1.00 0.00 H new ATOM 0 HB VAL A 24 -10.112 1.127 4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.297 2.076 4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.061 2.371 6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.549 3.684 4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -11.669 1.917 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.890 3.517 2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -9.970 2.091 1.926 1.00 0.00 H new ATOM 411 N LYS A 25 -8.228 3.397 6.608 1.00 0.00 N ATOM 412 CA LYS A 25 -7.717 3.097 7.944 1.00 0.00 C ATOM 413 C LYS A 25 -8.634 2.125 8.691 1.00 0.00 C ATOM 414 O LYS A 25 -8.159 1.179 9.322 1.00 0.00 O ATOM 415 CB LYS A 25 -7.561 4.395 8.744 1.00 0.00 C ATOM 416 CG LYS A 25 -6.971 4.203 10.133 1.00 0.00 C ATOM 417 CD LYS A 25 -5.512 3.777 10.072 1.00 0.00 C ATOM 418 CE LYS A 25 -4.752 4.213 11.315 1.00 0.00 C ATOM 419 NZ LYS A 25 -3.437 3.520 11.446 1.00 0.00 N ATOM 0 H LYS A 25 -8.423 4.386 6.450 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.744 2.618 7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.926 5.080 8.183 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.537 4.870 8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.055 5.133 10.696 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.547 3.451 10.672 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.452 2.694 9.969 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.043 4.208 9.187 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.591 5.290 11.280 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.357 4.010 12.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.955 3.849 12.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.590 2.493 11.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.847 3.734 10.616 1.00 0.00 H new ATOM 433 N GLU A 26 -9.946 2.370 8.620 1.00 0.00 N ATOM 434 CA GLU A 26 -10.933 1.524 9.296 1.00 0.00 C ATOM 435 C GLU A 26 -12.349 2.038 9.055 1.00 0.00 C ATOM 436 O GLU A 26 -12.549 3.041 8.368 1.00 0.00 O ATOM 437 CB GLU A 26 -10.655 1.477 10.805 1.00 0.00 C ATOM 438 CG GLU A 26 -10.190 0.116 11.303 1.00 0.00 C ATOM 439 CD GLU A 26 -10.728 -0.218 12.682 1.00 0.00 C ATOM 440 OE1 GLU A 26 -10.355 0.478 13.650 1.00 0.00 O ATOM 441 OE2 GLU A 26 -11.524 -1.174 12.793 1.00 0.00 O ATOM 0 H GLU A 26 -10.349 3.149 8.100 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.849 0.519 8.882 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.896 2.221 11.048 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.561 1.759 11.341 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.507 -0.652 10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.100 0.096 11.328 1.00 0.00 H new ATOM 448 N ILE A 27 -13.326 1.347 9.631 1.00 0.00 N ATOM 449 CA ILE A 27 -14.726 1.737 9.495 1.00 0.00 C ATOM 450 C ILE A 27 -15.338 2.028 10.864 1.00 0.00 C ATOM 451 O ILE A 27 -15.163 1.255 11.808 1.00 0.00 O ATOM 452 CB ILE A 27 -15.564 0.648 8.790 1.00 0.00 C ATOM 453 CG1 ILE A 27 -14.884 0.203 7.490 1.00 0.00 C ATOM 454 CG2 ILE A 27 -16.969 1.164 8.509 1.00 0.00 C ATOM 455 CD1 ILE A 27 -14.139 -1.108 7.613 1.00 0.00 C ATOM 0 H ILE A 27 -13.175 0.512 10.198 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.744 2.638 8.881 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.637 -0.216 9.450 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -15.638 0.110 6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.188 0.978 7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -17.549 0.387 8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.452 1.433 9.448 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.912 2.042 7.866 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.684 -1.359 6.655 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -13.361 -1.015 8.371 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -14.834 -1.896 7.902 1.00 0.00 H new ATOM 467 N SER A 28 -16.051 3.149 10.966 1.00 0.00 N ATOM 468 CA SER A 28 -16.686 3.546 12.223 1.00 0.00 C ATOM 469 C SER A 28 -17.929 2.705 12.506 1.00 0.00 C ATOM 470 O SER A 28 -18.532 2.147 11.588 1.00 0.00 O ATOM 471 CB SER A 28 -17.058 5.031 12.193 1.00 0.00 C ATOM 472 OG SER A 28 -15.902 5.846 12.281 1.00 0.00 O ATOM 0 H SER A 28 -16.204 3.798 10.194 1.00 0.00 H new ATOM 0 HA SER A 28 -15.967 3.375 13.024 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.597 5.256 11.273 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.731 5.258 13.020 1.00 0.00 H new ATOM 0 HG SER A 28 -16.165 6.790 12.258 1.00 0.00 H new ATOM 478 N GLN A 29 -18.303 2.622 13.783 1.00 0.00 N ATOM 479 CA GLN A 29 -19.476 1.848 14.192 1.00 0.00 C ATOM 480 C GLN A 29 -20.760 2.657 14.011 1.00 0.00 C ATOM 481 O GLN A 29 -20.769 3.874 14.200 1.00 0.00 O ATOM 482 CB GLN A 29 -19.345 1.390 15.649 1.00 0.00 C ATOM 483 CG GLN A 29 -19.093 2.521 16.638 1.00 0.00 C ATOM 484 CD GLN A 29 -19.880 2.355 17.926 1.00 0.00 C ATOM 485 OE1 GLN A 29 -21.086 2.590 17.961 1.00 0.00 O ATOM 486 NE2 GLN A 29 -19.200 1.948 18.993 1.00 0.00 N ATOM 0 H GLN A 29 -17.812 3.080 14.551 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.530 0.968 13.551 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -20.257 0.867 15.937 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -18.529 0.671 15.720 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -18.029 2.566 16.870 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -19.359 3.471 16.174 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -18.199 1.764 18.920 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -19.679 1.820 19.884 1.00 0.00 H new ATOM 495 N ASP A 30 -21.839 1.964 13.635 1.00 0.00 N ATOM 496 CA ASP A 30 -23.138 2.605 13.412 1.00 0.00 C ATOM 497 C ASP A 30 -23.030 3.722 12.372 1.00 0.00 C ATOM 498 O ASP A 30 -23.704 4.750 12.473 1.00 0.00 O ATOM 499 CB ASP A 30 -23.699 3.156 14.729 1.00 0.00 C ATOM 500 CG ASP A 30 -24.253 2.065 15.627 1.00 0.00 C ATOM 501 OD1 ASP A 30 -25.086 1.264 15.147 1.00 0.00 O ATOM 502 OD2 ASP A 30 -23.857 2.012 16.808 1.00 0.00 O ATOM 0 H ASP A 30 -21.838 0.956 13.478 1.00 0.00 H new ATOM 0 HA ASP A 30 -23.823 1.849 13.028 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.912 3.693 15.259 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -24.487 3.877 14.511 1.00 0.00 H new ATOM 507 N SER A 31 -22.180 3.509 11.366 1.00 0.00 N ATOM 508 CA SER A 31 -21.982 4.489 10.305 1.00 0.00 C ATOM 509 C SER A 31 -22.449 3.931 8.966 1.00 0.00 C ATOM 510 O SER A 31 -22.766 2.744 8.856 1.00 0.00 O ATOM 511 CB SER A 31 -20.506 4.894 10.223 1.00 0.00 C ATOM 512 OG SER A 31 -19.958 5.104 11.515 1.00 0.00 O ATOM 0 H SER A 31 -21.618 2.664 11.267 1.00 0.00 H new ATOM 0 HA SER A 31 -22.576 5.372 10.538 1.00 0.00 H new ATOM 0 HB2 SER A 31 -19.941 4.117 9.708 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.408 5.804 9.632 1.00 0.00 H new ATOM 0 HG SER A 31 -19.931 6.065 11.707 1.00 0.00 H new ATOM 518 N LEU A 32 -22.491 4.791 7.950 1.00 0.00 N ATOM 519 CA LEU A 32 -22.921 4.381 6.614 1.00 0.00 C ATOM 520 C LEU A 32 -22.052 3.242 6.082 1.00 0.00 C ATOM 521 O LEU A 32 -22.565 2.277 5.519 1.00 0.00 O ATOM 522 CB LEU A 32 -22.876 5.568 5.648 1.00 0.00 C ATOM 523 CG LEU A 32 -23.890 6.680 5.934 1.00 0.00 C ATOM 524 CD1 LEU A 32 -23.442 7.988 5.301 1.00 0.00 C ATOM 525 CD2 LEU A 32 -25.264 6.285 5.421 1.00 0.00 C ATOM 0 H LEU A 32 -22.233 5.775 8.026 1.00 0.00 H new ATOM 0 HA LEU A 32 -23.948 4.024 6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -21.874 5.997 5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -23.041 5.199 4.636 1.00 0.00 H new ATOM 0 HG LEU A 32 -23.950 6.824 7.013 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -24.175 8.766 5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -22.475 8.278 5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -23.355 7.859 4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -25.974 7.084 5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -25.216 6.116 4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -25.589 5.371 5.918 1.00 0.00 H new ATOM 537 N ALA A 33 -20.736 3.360 6.270 1.00 0.00 N ATOM 538 CA ALA A 33 -19.792 2.339 5.812 1.00 0.00 C ATOM 539 C ALA A 33 -19.997 1.017 6.549 1.00 0.00 C ATOM 540 O ALA A 33 -20.014 -0.049 5.931 1.00 0.00 O ATOM 541 CB ALA A 33 -18.363 2.828 5.997 1.00 0.00 C ATOM 0 H ALA A 33 -20.299 4.154 6.737 1.00 0.00 H new ATOM 0 HA ALA A 33 -19.977 2.162 4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.669 2.061 5.653 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -18.213 3.739 5.418 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -18.183 3.034 7.052 1.00 0.00 H new ATOM 547 N ALA A 34 -20.152 1.095 7.873 1.00 0.00 N ATOM 548 CA ALA A 34 -20.359 -0.096 8.696 1.00 0.00 C ATOM 549 C ALA A 34 -21.704 -0.754 8.383 1.00 0.00 C ATOM 550 O ALA A 34 -21.819 -1.980 8.391 1.00 0.00 O ATOM 551 CB ALA A 34 -20.266 0.255 10.173 1.00 0.00 C ATOM 0 H ALA A 34 -20.138 1.970 8.396 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.572 -0.812 8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -20.422 -0.643 10.771 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -19.280 0.667 10.388 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -21.029 0.993 10.420 1.00 0.00 H new ATOM 557 N ARG A 35 -22.718 0.070 8.104 1.00 0.00 N ATOM 558 CA ARG A 35 -24.051 -0.433 7.780 1.00 0.00 C ATOM 559 C ARG A 35 -24.091 -0.987 6.356 1.00 0.00 C ATOM 560 O ARG A 35 -24.608 -2.081 6.127 1.00 0.00 O ATOM 561 CB ARG A 35 -25.097 0.673 7.941 1.00 0.00 C ATOM 562 CG ARG A 35 -25.511 0.919 9.384 1.00 0.00 C ATOM 563 CD ARG A 35 -26.596 -0.052 9.828 1.00 0.00 C ATOM 564 NE ARG A 35 -26.053 -1.171 10.601 1.00 0.00 N ATOM 565 CZ ARG A 35 -26.793 -1.985 11.360 1.00 0.00 C ATOM 566 NH1 ARG A 35 -28.111 -1.817 11.449 1.00 0.00 N ATOM 567 NH2 ARG A 35 -26.214 -2.976 12.030 1.00 0.00 N ATOM 0 H ARG A 35 -22.639 1.087 8.097 1.00 0.00 H new ATOM 0 HA ARG A 35 -24.284 -1.241 8.474 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -24.701 1.599 7.523 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -25.981 0.413 7.358 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -24.642 0.818 10.035 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -25.872 1.942 9.491 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -27.333 0.480 10.430 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -27.118 -0.437 8.952 1.00 0.00 H new ATOM 0 HE ARG A 35 -25.048 -1.340 10.557 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -28.565 -1.062 10.935 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -28.667 -2.444 12.031 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -25.206 -3.115 11.965 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -26.778 -3.598 12.609 1.00 0.00 H new ATOM 581 N ASP A 36 -23.540 -0.228 5.402 1.00 0.00 N ATOM 582 CA ASP A 36 -23.511 -0.652 4.001 1.00 0.00 C ATOM 583 C ASP A 36 -22.741 -1.962 3.840 1.00 0.00 C ATOM 584 O ASP A 36 -23.111 -2.814 3.030 1.00 0.00 O ATOM 585 CB ASP A 36 -22.871 0.423 3.116 1.00 0.00 C ATOM 586 CG ASP A 36 -23.545 0.536 1.760 1.00 0.00 C ATOM 587 OD1 ASP A 36 -23.601 -0.478 1.036 1.00 0.00 O ATOM 588 OD2 ASP A 36 -24.010 1.640 1.420 1.00 0.00 O ATOM 0 H ASP A 36 -23.110 0.680 5.576 1.00 0.00 H new ATOM 0 HA ASP A 36 -24.544 -0.805 3.687 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.922 1.386 3.625 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.815 0.192 2.975 1.00 0.00 H new ATOM 593 N GLY A 37 -21.661 -2.110 4.611 1.00 0.00 N ATOM 594 CA GLY A 37 -20.848 -3.311 4.535 1.00 0.00 C ATOM 595 C GLY A 37 -20.155 -3.456 3.192 1.00 0.00 C ATOM 596 O GLY A 37 -19.976 -4.571 2.699 1.00 0.00 O ATOM 0 H GLY A 37 -21.337 -1.417 5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.099 -3.290 5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -21.476 -4.184 4.713 1.00 0.00 H new ATOM 600 N ASN A 38 -19.773 -2.325 2.595 1.00 0.00 N ATOM 601 CA ASN A 38 -19.101 -2.331 1.296 1.00 0.00 C ATOM 602 C ASN A 38 -17.611 -2.020 1.434 1.00 0.00 C ATOM 603 O ASN A 38 -16.793 -2.517 0.657 1.00 0.00 O ATOM 604 CB ASN A 38 -19.767 -1.327 0.348 1.00 0.00 C ATOM 605 CG ASN A 38 -20.855 -1.961 -0.500 1.00 0.00 C ATOM 606 OD1 ASN A 38 -20.862 -1.823 -1.723 1.00 0.00 O ATOM 607 ND2 ASN A 38 -21.785 -2.657 0.146 1.00 0.00 N ATOM 0 H ASN A 38 -19.918 -1.396 2.990 1.00 0.00 H new ATOM 0 HA ASN A 38 -19.195 -3.333 0.878 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -20.194 -0.511 0.930 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -19.010 -0.891 -0.304 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -22.542 -3.102 -0.373 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -21.742 -2.747 1.161 1.00 0.00 H new ATOM 614 N ILE A 39 -17.260 -1.201 2.429 1.00 0.00 N ATOM 615 CA ILE A 39 -15.867 -0.834 2.667 1.00 0.00 C ATOM 616 C ILE A 39 -15.244 -1.718 3.749 1.00 0.00 C ATOM 617 O ILE A 39 -15.923 -2.121 4.696 1.00 0.00 O ATOM 618 CB ILE A 39 -15.729 0.644 3.094 1.00 0.00 C ATOM 619 CG1 ILE A 39 -16.562 1.551 2.183 1.00 0.00 C ATOM 620 CG2 ILE A 39 -14.265 1.067 3.073 1.00 0.00 C ATOM 621 CD1 ILE A 39 -16.579 2.998 2.625 1.00 0.00 C ATOM 0 H ILE A 39 -17.923 -0.781 3.081 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.341 -0.981 1.724 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.106 0.744 4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -16.168 1.494 1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -17.585 1.178 2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -14.183 2.111 3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.696 0.443 3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.867 0.950 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -17.187 3.582 1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -17.001 3.067 3.628 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.561 3.388 2.632 1.00 0.00 H new ATOM 633 N GLN A 40 -13.950 -2.007 3.603 1.00 0.00 N ATOM 634 CA GLN A 40 -13.231 -2.837 4.571 1.00 0.00 C ATOM 635 C GLN A 40 -11.934 -2.165 5.013 1.00 0.00 C ATOM 636 O GLN A 40 -11.374 -1.349 4.285 1.00 0.00 O ATOM 637 CB GLN A 40 -12.916 -4.206 3.965 1.00 0.00 C ATOM 638 CG GLN A 40 -13.083 -5.357 4.945 1.00 0.00 C ATOM 639 CD GLN A 40 -12.251 -6.571 4.573 1.00 0.00 C ATOM 640 OE1 GLN A 40 -12.231 -6.994 3.418 1.00 0.00 O ATOM 641 NE2 GLN A 40 -11.560 -7.138 5.553 1.00 0.00 N ATOM 0 H GLN A 40 -13.379 -1.679 2.824 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.872 -2.965 5.443 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.567 -4.373 3.107 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.892 -4.202 3.592 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.802 -5.022 5.943 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.134 -5.642 4.988 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.605 -6.754 6.497 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.983 -7.958 5.363 1.00 0.00 H new ATOM 650 N GLU A 41 -11.453 -2.513 6.206 1.00 0.00 N ATOM 651 CA GLU A 41 -10.210 -1.935 6.721 1.00 0.00 C ATOM 652 C GLU A 41 -8.993 -2.603 6.085 1.00 0.00 C ATOM 653 O GLU A 41 -8.891 -3.832 6.058 1.00 0.00 O ATOM 654 CB GLU A 41 -10.133 -2.063 8.248 1.00 0.00 C ATOM 655 CG GLU A 41 -10.370 -3.473 8.769 1.00 0.00 C ATOM 656 CD GLU A 41 -9.556 -3.776 10.013 1.00 0.00 C ATOM 657 OE1 GLU A 41 -8.403 -4.236 9.870 1.00 0.00 O ATOM 658 OE2 GLU A 41 -10.070 -3.553 11.128 1.00 0.00 O ATOM 0 H GLU A 41 -11.899 -3.186 6.830 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.208 -0.877 6.459 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.151 -1.725 8.581 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.869 -1.394 8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.429 -3.602 8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.118 -4.192 7.990 1.00 0.00 H new ATOM 665 N GLY A 42 -8.073 -1.787 5.574 1.00 0.00 N ATOM 666 CA GLY A 42 -6.872 -2.317 4.949 1.00 0.00 C ATOM 667 C GLY A 42 -6.899 -2.266 3.428 1.00 0.00 C ATOM 668 O GLY A 42 -5.856 -2.424 2.792 1.00 0.00 O ATOM 0 H GLY A 42 -8.138 -0.769 5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.009 -1.756 5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.734 -3.351 5.266 1.00 0.00 H new ATOM 672 N ASP A 43 -8.078 -2.045 2.835 1.00 0.00 N ATOM 673 CA ASP A 43 -8.186 -1.976 1.377 1.00 0.00 C ATOM 674 C ASP A 43 -7.629 -0.654 0.849 1.00 0.00 C ATOM 675 O ASP A 43 -7.528 0.332 1.583 1.00 0.00 O ATOM 676 CB ASP A 43 -9.638 -2.187 0.909 1.00 0.00 C ATOM 677 CG ASP A 43 -10.602 -1.103 1.369 1.00 0.00 C ATOM 678 OD1 ASP A 43 -10.199 -0.243 2.170 1.00 0.00 O ATOM 679 OD2 ASP A 43 -11.766 -1.123 0.924 1.00 0.00 O ATOM 0 H ASP A 43 -8.957 -1.913 3.335 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.585 -2.786 0.964 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.654 -2.235 -0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.990 -3.151 1.276 1.00 0.00 H new ATOM 684 N VAL A 44 -7.247 -0.651 -0.425 1.00 0.00 N ATOM 685 CA VAL A 44 -6.678 0.534 -1.052 1.00 0.00 C ATOM 686 C VAL A 44 -7.624 1.117 -2.100 1.00 0.00 C ATOM 687 O VAL A 44 -7.937 0.469 -3.100 1.00 0.00 O ATOM 688 CB VAL A 44 -5.321 0.212 -1.708 1.00 0.00 C ATOM 689 CG1 VAL A 44 -4.653 1.479 -2.218 1.00 0.00 C ATOM 690 CG2 VAL A 44 -4.417 -0.525 -0.728 1.00 0.00 C ATOM 0 H VAL A 44 -7.322 -1.459 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.528 1.274 -0.266 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.499 -0.439 -2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.697 1.227 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.296 1.957 -2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.487 2.163 -1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.463 -0.745 -1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.247 0.099 0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.893 -1.457 -0.424 1.00 0.00 H new ATOM 700 N VAL A 45 -8.074 2.346 -1.858 1.00 0.00 N ATOM 701 CA VAL A 45 -8.986 3.027 -2.772 1.00 0.00 C ATOM 702 C VAL A 45 -8.230 3.684 -3.925 1.00 0.00 C ATOM 703 O VAL A 45 -7.202 4.333 -3.719 1.00 0.00 O ATOM 704 CB VAL A 45 -9.811 4.106 -2.040 1.00 0.00 C ATOM 705 CG1 VAL A 45 -10.911 4.648 -2.942 1.00 0.00 C ATOM 706 CG2 VAL A 45 -10.393 3.552 -0.746 1.00 0.00 C ATOM 0 H VAL A 45 -7.821 2.891 -1.034 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.658 2.266 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.146 4.931 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.480 5.407 -2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.466 5.090 -3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.576 3.835 -3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.971 4.329 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.042 2.706 -0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.583 3.225 -0.094 1.00 0.00 H new ATOM 716 N LEU A 46 -8.753 3.518 -5.139 1.00 0.00 N ATOM 717 CA LEU A 46 -8.139 4.097 -6.330 1.00 0.00 C ATOM 718 C LEU A 46 -8.896 5.346 -6.798 1.00 0.00 C ATOM 719 O LEU A 46 -8.280 6.314 -7.249 1.00 0.00 O ATOM 720 CB LEU A 46 -8.093 3.059 -7.456 1.00 0.00 C ATOM 721 CG LEU A 46 -7.228 3.442 -8.662 1.00 0.00 C ATOM 722 CD1 LEU A 46 -6.545 2.214 -9.246 1.00 0.00 C ATOM 723 CD2 LEU A 46 -8.066 4.142 -9.724 1.00 0.00 C ATOM 0 H LEU A 46 -9.603 2.985 -5.322 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.123 4.396 -6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.722 2.119 -7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.110 2.877 -7.802 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.457 4.134 -8.321 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.936 2.508 -10.101 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.909 1.756 -8.488 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.300 1.496 -9.568 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.433 4.406 -10.571 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.861 3.475 -10.058 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.504 5.047 -9.303 1.00 0.00 H new ATOM 735 N LYS A 47 -10.233 5.316 -6.703 1.00 0.00 N ATOM 736 CA LYS A 47 -11.055 6.449 -7.133 1.00 0.00 C ATOM 737 C LYS A 47 -12.162 6.771 -6.124 1.00 0.00 C ATOM 738 O LYS A 47 -12.642 5.888 -5.408 1.00 0.00 O ATOM 739 CB LYS A 47 -11.682 6.155 -8.500 1.00 0.00 C ATOM 740 CG LYS A 47 -10.917 6.754 -9.670 1.00 0.00 C ATOM 741 CD LYS A 47 -11.779 6.826 -10.920 1.00 0.00 C ATOM 742 CE LYS A 47 -10.989 6.453 -12.167 1.00 0.00 C ATOM 743 NZ LYS A 47 -10.274 7.625 -12.748 1.00 0.00 N ATOM 0 H LYS A 47 -10.762 4.525 -6.335 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.400 7.317 -7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.746 5.075 -8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.702 6.539 -8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.572 7.754 -9.407 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.030 6.153 -9.872 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.631 6.155 -10.814 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.179 7.834 -11.030 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.267 5.675 -11.919 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.665 6.035 -12.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.642 7.818 -13.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.424 8.458 -12.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.256 7.418 -12.805 1.00 0.00 H new ATOM 757 N ILE A 48 -12.570 8.045 -6.087 1.00 0.00 N ATOM 758 CA ILE A 48 -13.629 8.497 -5.185 1.00 0.00 C ATOM 759 C ILE A 48 -14.557 9.485 -5.895 1.00 0.00 C ATOM 760 O ILE A 48 -14.096 10.470 -6.476 1.00 0.00 O ATOM 761 CB ILE A 48 -13.057 9.152 -3.905 1.00 0.00 C ATOM 762 CG1 ILE A 48 -12.036 8.223 -3.240 1.00 0.00 C ATOM 763 CG2 ILE A 48 -14.179 9.488 -2.929 1.00 0.00 C ATOM 764 CD1 ILE A 48 -11.299 8.858 -2.080 1.00 0.00 C ATOM 0 H ILE A 48 -12.179 8.781 -6.675 1.00 0.00 H new ATOM 0 HA ILE A 48 -14.195 7.614 -4.890 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.555 10.077 -4.187 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -12.548 7.328 -2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -11.311 7.901 -3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.758 9.948 -2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.875 10.182 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.707 8.575 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.594 8.140 -1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.757 9.737 -2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.014 9.155 -1.313 1.00 0.00 H new ATOM 776 N ASN A 49 -15.865 9.194 -5.853 1.00 0.00 N ATOM 777 CA ASN A 49 -16.895 10.022 -6.496 1.00 0.00 C ATOM 778 C ASN A 49 -16.495 10.422 -7.926 1.00 0.00 C ATOM 779 O ASN A 49 -16.840 11.507 -8.396 1.00 0.00 O ATOM 780 CB ASN A 49 -17.215 11.271 -5.650 1.00 0.00 C ATOM 781 CG ASN A 49 -16.048 12.242 -5.524 1.00 0.00 C ATOM 782 OD1 ASN A 49 -15.608 12.839 -6.505 1.00 0.00 O ATOM 783 ND2 ASN A 49 -15.548 12.415 -4.305 1.00 0.00 N ATOM 0 H ASN A 49 -16.239 8.376 -5.371 1.00 0.00 H new ATOM 0 HA ASN A 49 -17.798 9.415 -6.563 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -18.063 11.792 -6.094 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -17.522 10.955 -4.653 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -14.772 13.061 -4.159 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.940 11.902 -3.515 1.00 0.00 H new ATOM 790 N GLY A 50 -15.772 9.533 -8.615 1.00 0.00 N ATOM 791 CA GLY A 50 -15.343 9.815 -9.975 1.00 0.00 C ATOM 792 C GLY A 50 -14.073 10.650 -10.032 1.00 0.00 C ATOM 793 O GLY A 50 -13.945 11.531 -10.883 1.00 0.00 O ATOM 0 H GLY A 50 -15.478 8.626 -8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.178 8.875 -10.501 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -16.141 10.339 -10.501 1.00 0.00 H new ATOM 797 N THR A 51 -13.135 10.376 -9.125 1.00 0.00 N ATOM 798 CA THR A 51 -11.872 11.113 -9.076 1.00 0.00 C ATOM 799 C THR A 51 -10.750 10.218 -8.556 1.00 0.00 C ATOM 800 O THR A 51 -10.944 9.461 -7.605 1.00 0.00 O ATOM 801 CB THR A 51 -12.013 12.360 -8.189 1.00 0.00 C ATOM 802 OG1 THR A 51 -13.347 12.837 -8.189 1.00 0.00 O ATOM 803 CG2 THR A 51 -11.124 13.509 -8.616 1.00 0.00 C ATOM 0 H THR A 51 -13.226 9.650 -8.415 1.00 0.00 H new ATOM 0 HA THR A 51 -11.620 11.432 -10.088 1.00 0.00 H new ATOM 0 HB THR A 51 -11.709 12.031 -7.195 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.822 12.481 -7.409 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.276 14.355 -7.946 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.081 13.196 -8.575 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.375 13.804 -9.635 1.00 0.00 H new ATOM 811 N VAL A 52 -9.577 10.309 -9.183 1.00 0.00 N ATOM 812 CA VAL A 52 -8.426 9.502 -8.778 1.00 0.00 C ATOM 813 C VAL A 52 -7.976 9.871 -7.369 1.00 0.00 C ATOM 814 O VAL A 52 -8.121 11.018 -6.947 1.00 0.00 O ATOM 815 CB VAL A 52 -7.230 9.666 -9.747 1.00 0.00 C ATOM 816 CG1 VAL A 52 -6.103 8.712 -9.368 1.00 0.00 C ATOM 817 CG2 VAL A 52 -7.664 9.437 -11.190 1.00 0.00 C ATOM 0 H VAL A 52 -9.399 10.932 -9.971 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.751 8.462 -8.803 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.861 10.688 -9.663 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.270 8.840 -10.059 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.769 8.928 -8.353 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.463 7.685 -9.420 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.806 9.558 -11.851 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.063 8.428 -11.294 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.433 10.161 -11.458 1.00 0.00 H new ATOM 827 N THR A 53 -7.433 8.895 -6.646 1.00 0.00 N ATOM 828 CA THR A 53 -6.961 9.126 -5.284 1.00 0.00 C ATOM 829 C THR A 53 -5.564 8.544 -5.083 1.00 0.00 C ATOM 830 O THR A 53 -5.330 7.733 -4.184 1.00 0.00 O ATOM 831 CB THR A 53 -7.950 8.544 -4.263 1.00 0.00 C ATOM 832 OG1 THR A 53 -9.279 8.589 -4.759 1.00 0.00 O ATOM 833 CG2 THR A 53 -7.934 9.278 -2.938 1.00 0.00 C ATOM 0 H THR A 53 -7.309 7.939 -6.980 1.00 0.00 H new ATOM 0 HA THR A 53 -6.900 10.202 -5.124 1.00 0.00 H new ATOM 0 HB THR A 53 -7.626 7.516 -4.103 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.771 9.308 -4.311 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.654 8.820 -2.260 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.937 9.220 -2.502 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.200 10.323 -3.098 1.00 0.00 H new ATOM 841 N GLU A 54 -4.633 8.988 -5.925 1.00 0.00 N ATOM 842 CA GLU A 54 -3.244 8.549 -5.851 1.00 0.00 C ATOM 843 C GLU A 54 -2.320 9.748 -5.994 1.00 0.00 C ATOM 844 O GLU A 54 -2.584 10.654 -6.788 1.00 0.00 O ATOM 845 CB GLU A 54 -2.934 7.520 -6.938 1.00 0.00 C ATOM 846 CG GLU A 54 -1.758 6.614 -6.606 1.00 0.00 C ATOM 847 CD GLU A 54 -1.804 5.298 -7.357 1.00 0.00 C ATOM 848 OE1 GLU A 54 -2.848 4.612 -7.296 1.00 0.00 O ATOM 849 OE2 GLU A 54 -0.795 4.949 -8.006 1.00 0.00 O ATOM 0 H GLU A 54 -4.820 9.657 -6.672 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.083 8.077 -4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.818 6.905 -7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.726 8.043 -7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.828 7.131 -6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.748 6.416 -5.534 1.00 0.00 H new ATOM 856 N ASN A 55 -1.244 9.752 -5.211 1.00 0.00 N ATOM 857 CA ASN A 55 -0.274 10.839 -5.223 1.00 0.00 C ATOM 858 C ASN A 55 -0.867 12.143 -4.668 1.00 0.00 C ATOM 859 O ASN A 55 -0.225 13.193 -4.732 1.00 0.00 O ATOM 860 CB ASN A 55 0.260 11.062 -6.639 1.00 0.00 C ATOM 861 CG ASN A 55 1.712 10.645 -6.783 1.00 0.00 C ATOM 862 OD1 ASN A 55 2.529 10.881 -5.892 1.00 0.00 O ATOM 863 ND2 ASN A 55 2.042 10.019 -7.905 1.00 0.00 N ATOM 0 H ASN A 55 -1.022 9.004 -4.554 1.00 0.00 H new ATOM 0 HA ASN A 55 0.550 10.548 -4.571 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.349 10.499 -7.347 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.160 12.115 -6.900 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.004 9.713 -8.055 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.334 9.843 -8.618 1.00 0.00 H new ATOM 870 N MET A 56 -2.083 12.077 -4.112 1.00 0.00 N ATOM 871 CA MET A 56 -2.722 13.257 -3.544 1.00 0.00 C ATOM 872 C MET A 56 -2.442 13.357 -2.046 1.00 0.00 C ATOM 873 O MET A 56 -1.927 12.415 -1.436 1.00 0.00 O ATOM 874 CB MET A 56 -4.232 13.220 -3.796 1.00 0.00 C ATOM 875 CG MET A 56 -4.739 14.394 -4.618 1.00 0.00 C ATOM 876 SD MET A 56 -4.700 14.070 -6.392 1.00 0.00 S ATOM 877 CE MET A 56 -5.908 12.755 -6.522 1.00 0.00 C ATOM 0 H MET A 56 -2.636 11.223 -4.046 1.00 0.00 H new ATOM 0 HA MET A 56 -2.305 14.137 -4.033 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.484 12.292 -4.309 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.752 13.206 -2.838 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.760 14.628 -4.318 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.133 15.273 -4.400 1.00 0.00 H new ATOM 0 HE1 MET A 56 -6.557 12.940 -7.378 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.396 11.802 -6.655 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.508 12.721 -5.613 1.00 0.00 H new ATOM 887 N SER A 57 -2.786 14.500 -1.458 1.00 0.00 N ATOM 888 CA SER A 57 -2.577 14.720 -0.032 1.00 0.00 C ATOM 889 C SER A 57 -3.734 14.140 0.778 1.00 0.00 C ATOM 890 O SER A 57 -4.876 14.125 0.318 1.00 0.00 O ATOM 891 CB SER A 57 -2.430 16.220 0.259 1.00 0.00 C ATOM 892 OG SER A 57 -2.380 16.477 1.654 1.00 0.00 O ATOM 0 H SER A 57 -3.211 15.287 -1.948 1.00 0.00 H new ATOM 0 HA SER A 57 -1.659 14.211 0.262 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.523 16.596 -0.214 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.267 16.761 -0.182 1.00 0.00 H new ATOM 0 HG SER A 57 -3.159 17.011 1.916 1.00 0.00 H new ATOM 898 N LEU A 58 -3.433 13.671 1.992 1.00 0.00 N ATOM 899 CA LEU A 58 -4.458 13.101 2.867 1.00 0.00 C ATOM 900 C LEU A 58 -5.583 14.109 3.108 1.00 0.00 C ATOM 901 O LEU A 58 -6.742 13.729 3.288 1.00 0.00 O ATOM 902 CB LEU A 58 -3.848 12.675 4.204 1.00 0.00 C ATOM 903 CG LEU A 58 -4.777 11.854 5.104 1.00 0.00 C ATOM 904 CD1 LEU A 58 -4.932 10.442 4.563 1.00 0.00 C ATOM 905 CD2 LEU A 58 -4.253 11.826 6.534 1.00 0.00 C ATOM 0 H LEU A 58 -2.493 13.675 2.389 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.873 12.223 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.948 12.092 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.537 13.568 4.746 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.758 12.330 5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.595 9.873 5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.356 10.481 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.956 9.957 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.927 11.238 7.157 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.260 11.376 6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.196 12.844 6.921 1.00 0.00 H new ATOM 917 N THR A 59 -5.231 15.397 3.094 1.00 0.00 N ATOM 918 CA THR A 59 -6.205 16.465 3.295 1.00 0.00 C ATOM 919 C THR A 59 -7.167 16.539 2.110 1.00 0.00 C ATOM 920 O THR A 59 -8.363 16.774 2.287 1.00 0.00 O ATOM 921 CB THR A 59 -5.501 17.815 3.479 1.00 0.00 C ATOM 922 OG1 THR A 59 -4.142 17.642 3.851 1.00 0.00 O ATOM 923 CG2 THR A 59 -6.155 18.695 4.525 1.00 0.00 C ATOM 0 H THR A 59 -4.276 15.723 2.945 1.00 0.00 H new ATOM 0 HA THR A 59 -6.771 16.241 4.199 1.00 0.00 H new ATOM 0 HB THR A 59 -5.579 18.306 2.509 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.718 18.519 3.960 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.607 19.634 4.605 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.186 18.900 4.235 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.143 18.185 5.488 1.00 0.00 H new ATOM 931 N ASP A 60 -6.636 16.322 0.903 1.00 0.00 N ATOM 932 CA ASP A 60 -7.448 16.350 -0.312 1.00 0.00 C ATOM 933 C ASP A 60 -8.550 15.295 -0.247 1.00 0.00 C ATOM 934 O ASP A 60 -9.680 15.542 -0.667 1.00 0.00 O ATOM 935 CB ASP A 60 -6.574 16.110 -1.547 1.00 0.00 C ATOM 936 CG ASP A 60 -7.034 16.918 -2.745 1.00 0.00 C ATOM 937 OD1 ASP A 60 -8.143 16.649 -3.254 1.00 0.00 O ATOM 938 OD2 ASP A 60 -6.285 17.819 -3.174 1.00 0.00 O ATOM 0 H ASP A 60 -5.648 16.125 0.744 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.908 17.335 -0.389 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.541 16.367 -1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.589 15.050 -1.799 1.00 0.00 H new ATOM 943 N ALA A 61 -8.213 14.120 0.294 1.00 0.00 N ATOM 944 CA ALA A 61 -9.180 13.032 0.426 1.00 0.00 C ATOM 945 C ALA A 61 -10.385 13.475 1.253 1.00 0.00 C ATOM 946 O ALA A 61 -11.525 13.131 0.937 1.00 0.00 O ATOM 947 CB ALA A 61 -8.529 11.808 1.054 1.00 0.00 C ATOM 0 H ALA A 61 -7.281 13.901 0.646 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.527 12.766 -0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.266 11.010 1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.704 11.472 0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.150 12.065 2.043 1.00 0.00 H new ATOM 953 N LYS A 62 -10.120 14.254 2.306 1.00 0.00 N ATOM 954 CA LYS A 62 -11.180 14.765 3.175 1.00 0.00 C ATOM 955 C LYS A 62 -12.129 15.666 2.384 1.00 0.00 C ATOM 956 O LYS A 62 -13.339 15.659 2.613 1.00 0.00 O ATOM 957 CB LYS A 62 -10.582 15.541 4.356 1.00 0.00 C ATOM 958 CG LYS A 62 -9.589 14.734 5.183 1.00 0.00 C ATOM 959 CD LYS A 62 -10.242 14.148 6.426 1.00 0.00 C ATOM 960 CE LYS A 62 -10.499 15.214 7.481 1.00 0.00 C ATOM 961 NZ LYS A 62 -10.678 14.624 8.837 1.00 0.00 N ATOM 0 H LYS A 62 -9.180 14.544 2.576 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.742 13.916 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.084 16.434 3.977 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.391 15.878 5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.177 13.929 4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.755 15.372 5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.184 13.672 6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.601 13.371 6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.665 15.916 7.498 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.389 15.783 7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.851 15.384 9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.489 13.973 8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.819 14.102 9.105 1.00 0.00 H new ATOM 975 N THR A 63 -11.567 16.431 1.448 1.00 0.00 N ATOM 976 CA THR A 63 -12.353 17.333 0.610 1.00 0.00 C ATOM 977 C THR A 63 -13.310 16.550 -0.289 1.00 0.00 C ATOM 978 O THR A 63 -14.448 16.966 -0.499 1.00 0.00 O ATOM 979 CB THR A 63 -11.438 18.202 -0.257 1.00 0.00 C ATOM 980 OG1 THR A 63 -10.124 18.265 0.278 1.00 0.00 O ATOM 981 CG2 THR A 63 -11.936 19.620 -0.419 1.00 0.00 C ATOM 0 H THR A 63 -10.566 16.443 1.252 1.00 0.00 H new ATOM 0 HA THR A 63 -12.935 17.974 1.272 1.00 0.00 H new ATOM 0 HB THR A 63 -11.436 17.717 -1.233 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.563 18.825 -0.298 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.241 20.181 -1.044 1.00 0.00 H new ATOM 0 HG22 THR A 63 -12.919 19.609 -0.889 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.007 20.095 0.560 1.00 0.00 H new ATOM 989 N LEU A 64 -12.840 15.413 -0.812 1.00 0.00 N ATOM 990 CA LEU A 64 -13.653 14.569 -1.678 1.00 0.00 C ATOM 991 C LEU A 64 -14.956 14.178 -0.983 1.00 0.00 C ATOM 992 O LEU A 64 -16.000 14.057 -1.624 1.00 0.00 O ATOM 993 CB LEU A 64 -12.869 13.317 -2.066 1.00 0.00 C ATOM 994 CG LEU A 64 -11.540 13.571 -2.782 1.00 0.00 C ATOM 995 CD1 LEU A 64 -10.673 12.321 -2.755 1.00 0.00 C ATOM 996 CD2 LEU A 64 -11.782 14.031 -4.214 1.00 0.00 C ATOM 0 H LEU A 64 -11.897 15.060 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.900 15.131 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.671 12.738 -1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -13.497 12.700 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.010 14.365 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.732 12.520 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.470 12.041 -1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.195 11.506 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.825 14.206 -4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.333 13.262 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.361 14.955 -4.207 1.00 0.00 H new ATOM 1008 N ILE A 65 -14.885 13.995 0.336 1.00 0.00 N ATOM 1009 CA ILE A 65 -16.055 13.632 1.128 1.00 0.00 C ATOM 1010 C ILE A 65 -16.966 14.842 1.343 1.00 0.00 C ATOM 1011 O ILE A 65 -18.186 14.697 1.451 1.00 0.00 O ATOM 1012 CB ILE A 65 -15.654 13.048 2.499 1.00 0.00 C ATOM 1013 CG1 ILE A 65 -14.615 11.934 2.324 1.00 0.00 C ATOM 1014 CG2 ILE A 65 -16.883 12.524 3.230 1.00 0.00 C ATOM 1015 CD1 ILE A 65 -13.761 11.704 3.551 1.00 0.00 C ATOM 0 H ILE A 65 -14.026 14.093 0.877 1.00 0.00 H new ATOM 0 HA ILE A 65 -16.594 12.868 0.567 1.00 0.00 H new ATOM 0 HB ILE A 65 -15.208 13.842 3.098 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.128 11.007 2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.968 12.181 1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -16.585 12.115 4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -17.590 13.339 3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -17.355 11.742 2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -13.049 10.902 3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -13.220 12.618 3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -14.398 11.425 4.391 1.00 0.00 H new ATOM 1027 N GLU A 66 -16.371 16.035 1.401 1.00 0.00 N ATOM 1028 CA GLU A 66 -17.135 17.263 1.602 1.00 0.00 C ATOM 1029 C GLU A 66 -17.888 17.652 0.331 1.00 0.00 C ATOM 1030 O GLU A 66 -19.107 17.828 0.353 1.00 0.00 O ATOM 1031 CB GLU A 66 -16.212 18.405 2.028 1.00 0.00 C ATOM 1032 CG GLU A 66 -15.681 18.269 3.447 1.00 0.00 C ATOM 1033 CD GLU A 66 -14.876 19.476 3.887 1.00 0.00 C ATOM 1034 OE1 GLU A 66 -15.418 20.603 3.845 1.00 0.00 O ATOM 1035 OE2 GLU A 66 -13.701 19.297 4.274 1.00 0.00 O ATOM 0 H GLU A 66 -15.365 16.175 1.312 1.00 0.00 H new ATOM 0 HA GLU A 66 -17.861 17.079 2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.370 18.455 1.338 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.752 19.348 1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.517 18.125 4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.058 17.377 3.514 1.00 0.00 H new ATOM 1042 N ARG A 67 -17.154 17.778 -0.776 1.00 0.00 N ATOM 1043 CA ARG A 67 -17.750 18.143 -2.064 1.00 0.00 C ATOM 1044 C ARG A 67 -18.805 17.123 -2.504 1.00 0.00 C ATOM 1045 O ARG A 67 -19.722 17.461 -3.255 1.00 0.00 O ATOM 1046 CB ARG A 67 -16.668 18.275 -3.141 1.00 0.00 C ATOM 1047 CG ARG A 67 -15.847 17.009 -3.352 1.00 0.00 C ATOM 1048 CD ARG A 67 -14.488 17.323 -3.955 1.00 0.00 C ATOM 1049 NE ARG A 67 -14.342 16.770 -5.302 1.00 0.00 N ATOM 1050 CZ ARG A 67 -13.259 16.938 -6.063 1.00 0.00 C ATOM 1051 NH1 ARG A 67 -12.222 17.641 -5.614 1.00 0.00 N ATOM 1052 NH2 ARG A 67 -13.215 16.404 -7.279 1.00 0.00 N ATOM 0 H ARG A 67 -16.145 17.633 -0.807 1.00 0.00 H new ATOM 0 HA ARG A 67 -18.243 19.106 -1.935 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -17.140 18.551 -4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -15.997 19.090 -2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -15.714 16.497 -2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -16.389 16.327 -4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -14.348 18.403 -3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -13.705 16.921 -3.312 1.00 0.00 H new ATOM 0 HE ARG A 67 -15.115 16.223 -5.682 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.252 18.056 -4.683 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.397 17.765 -6.201 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.008 15.867 -7.629 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.388 16.531 -7.862 1.00 0.00 H new ATOM 1066 N SER A 68 -18.667 15.879 -2.035 1.00 0.00 N ATOM 1067 CA SER A 68 -19.607 14.816 -2.382 1.00 0.00 C ATOM 1068 C SER A 68 -21.036 15.199 -2.003 1.00 0.00 C ATOM 1069 O SER A 68 -21.353 15.371 -0.823 1.00 0.00 O ATOM 1070 CB SER A 68 -19.216 13.513 -1.685 1.00 0.00 C ATOM 1071 OG SER A 68 -18.247 12.807 -2.436 1.00 0.00 O ATOM 0 H SER A 68 -17.912 15.586 -1.414 1.00 0.00 H new ATOM 0 HA SER A 68 -19.565 14.672 -3.462 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.823 13.731 -0.692 1.00 0.00 H new ATOM 0 HB3 SER A 68 -20.100 12.890 -1.548 1.00 0.00 H new ATOM 0 HG SER A 68 -17.350 13.098 -2.169 1.00 0.00 H new ATOM 1077 N LYS A 69 -21.892 15.335 -3.014 1.00 0.00 N ATOM 1078 CA LYS A 69 -23.289 15.704 -2.793 1.00 0.00 C ATOM 1079 C LYS A 69 -24.183 14.465 -2.703 1.00 0.00 C ATOM 1080 O LYS A 69 -24.480 13.823 -3.715 1.00 0.00 O ATOM 1081 CB LYS A 69 -23.787 16.645 -3.902 1.00 0.00 C ATOM 1082 CG LYS A 69 -23.429 16.195 -5.316 1.00 0.00 C ATOM 1083 CD LYS A 69 -22.182 16.899 -5.837 1.00 0.00 C ATOM 1084 CE LYS A 69 -22.408 18.393 -6.010 1.00 0.00 C ATOM 1085 NZ LYS A 69 -21.382 19.014 -6.893 1.00 0.00 N ATOM 0 H LYS A 69 -21.643 15.195 -3.993 1.00 0.00 H new ATOM 0 HA LYS A 69 -23.345 16.231 -1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -24.871 16.736 -3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -23.371 17.638 -3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -23.268 15.117 -5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -24.266 16.397 -5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -21.356 16.734 -5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -21.890 16.462 -6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -23.399 18.563 -6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -22.388 18.878 -5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -21.573 20.032 -6.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -20.438 18.874 -6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -21.418 18.570 -7.833 1.00 0.00 H new ATOM 1099 N GLY A 70 -24.616 14.140 -1.482 1.00 0.00 N ATOM 1100 CA GLY A 70 -25.480 12.989 -1.270 1.00 0.00 C ATOM 1101 C GLY A 70 -24.723 11.676 -1.213 1.00 0.00 C ATOM 1102 O GLY A 70 -23.956 11.439 -0.284 1.00 0.00 O ATOM 0 H GLY A 70 -24.381 14.657 -0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -26.032 13.123 -0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -26.216 12.942 -2.073 1.00 0.00 H new ATOM 1106 N LYS A 71 -24.950 10.819 -2.208 1.00 0.00 N ATOM 1107 CA LYS A 71 -24.290 9.514 -2.267 1.00 0.00 C ATOM 1108 C LYS A 71 -22.796 9.662 -2.560 1.00 0.00 C ATOM 1109 O LYS A 71 -22.369 10.639 -3.177 1.00 0.00 O ATOM 1110 CB LYS A 71 -24.945 8.633 -3.337 1.00 0.00 C ATOM 1111 CG LYS A 71 -26.388 8.258 -3.026 1.00 0.00 C ATOM 1112 CD LYS A 71 -27.370 9.060 -3.870 1.00 0.00 C ATOM 1113 CE LYS A 71 -28.642 9.379 -3.098 1.00 0.00 C ATOM 1114 NZ LYS A 71 -28.647 10.778 -2.584 1.00 0.00 N ATOM 0 H LYS A 71 -25.585 11.004 -2.984 1.00 0.00 H new ATOM 0 HA LYS A 71 -24.403 9.039 -1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -24.913 9.155 -4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -24.359 7.721 -3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -26.535 7.194 -3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -26.590 8.431 -1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -26.899 9.988 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -27.621 8.498 -4.770 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -29.506 9.227 -3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -28.743 8.686 -2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -29.531 10.954 -2.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -27.837 10.917 -1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -28.577 11.441 -3.382 1.00 0.00 H new ATOM 1128 N LEU A 72 -22.005 8.682 -2.113 1.00 0.00 N ATOM 1129 CA LEU A 72 -20.560 8.701 -2.327 1.00 0.00 C ATOM 1130 C LEU A 72 -20.070 7.372 -2.902 1.00 0.00 C ATOM 1131 O LEU A 72 -20.404 6.304 -2.387 1.00 0.00 O ATOM 1132 CB LEU A 72 -19.831 8.998 -1.012 1.00 0.00 C ATOM 1133 CG LEU A 72 -18.764 10.094 -1.091 1.00 0.00 C ATOM 1134 CD1 LEU A 72 -18.111 10.313 0.266 1.00 0.00 C ATOM 1135 CD2 LEU A 72 -17.714 9.743 -2.135 1.00 0.00 C ATOM 0 H LEU A 72 -22.343 7.867 -1.601 1.00 0.00 H new ATOM 0 HA LEU A 72 -20.339 9.489 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.569 9.285 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.360 8.080 -0.661 1.00 0.00 H new ATOM 0 HG LEU A 72 -19.253 11.022 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -17.357 11.096 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -18.869 10.613 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.639 9.388 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.964 10.533 -2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.234 8.802 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -18.190 9.642 -3.110 1.00 0.00 H new ATOM 1147 N LYS A 73 -19.273 7.449 -3.969 1.00 0.00 N ATOM 1148 CA LYS A 73 -18.733 6.255 -4.613 1.00 0.00 C ATOM 1149 C LYS A 73 -17.237 6.111 -4.331 1.00 0.00 C ATOM 1150 O LYS A 73 -16.486 7.084 -4.409 1.00 0.00 O ATOM 1151 CB LYS A 73 -18.977 6.308 -6.124 1.00 0.00 C ATOM 1152 CG LYS A 73 -20.131 5.432 -6.587 1.00 0.00 C ATOM 1153 CD LYS A 73 -19.815 4.735 -7.904 1.00 0.00 C ATOM 1154 CE LYS A 73 -20.445 5.457 -9.088 1.00 0.00 C ATOM 1155 NZ LYS A 73 -19.462 6.320 -9.804 1.00 0.00 N ATOM 0 H LYS A 73 -18.988 8.327 -4.404 1.00 0.00 H new ATOM 0 HA LYS A 73 -19.247 5.387 -4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -19.176 7.339 -6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -18.068 6.000 -6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -20.351 4.686 -5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -21.027 6.042 -6.704 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -18.735 4.686 -8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -20.178 3.708 -7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -20.857 4.724 -9.782 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -21.277 6.068 -8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.932 6.793 -10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -19.087 7.036 -9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.680 5.734 -10.160 1.00 0.00 H new ATOM 1169 N MET A 74 -16.811 4.889 -4.006 1.00 0.00 N ATOM 1170 CA MET A 74 -15.403 4.613 -3.715 1.00 0.00 C ATOM 1171 C MET A 74 -14.960 3.319 -4.393 1.00 0.00 C ATOM 1172 O MET A 74 -15.530 2.255 -4.149 1.00 0.00 O ATOM 1173 CB MET A 74 -15.174 4.515 -2.202 1.00 0.00 C ATOM 1174 CG MET A 74 -15.857 5.615 -1.399 1.00 0.00 C ATOM 1175 SD MET A 74 -14.822 6.256 -0.069 1.00 0.00 S ATOM 1176 CE MET A 74 -14.293 4.737 0.721 1.00 0.00 C ATOM 0 H MET A 74 -17.421 4.074 -3.938 1.00 0.00 H new ATOM 0 HA MET A 74 -14.808 5.438 -4.107 1.00 0.00 H new ATOM 0 HB2 MET A 74 -15.534 3.547 -1.852 1.00 0.00 H new ATOM 0 HB3 MET A 74 -14.103 4.547 -2.004 1.00 0.00 H new ATOM 0 HG2 MET A 74 -16.128 6.432 -2.068 1.00 0.00 H new ATOM 0 HG3 MET A 74 -16.784 5.228 -0.977 1.00 0.00 H new ATOM 0 HE1 MET A 74 -14.280 4.875 1.802 1.00 0.00 H new ATOM 0 HE2 MET A 74 -14.984 3.934 0.465 1.00 0.00 H new ATOM 0 HE3 MET A 74 -13.292 4.477 0.377 1.00 0.00 H new ATOM 1186 N VAL A 75 -13.943 3.416 -5.249 1.00 0.00 N ATOM 1187 CA VAL A 75 -13.427 2.250 -5.966 1.00 0.00 C ATOM 1188 C VAL A 75 -12.175 1.698 -5.287 1.00 0.00 C ATOM 1189 O VAL A 75 -11.251 2.447 -4.967 1.00 0.00 O ATOM 1190 CB VAL A 75 -13.094 2.588 -7.436 1.00 0.00 C ATOM 1191 CG1 VAL A 75 -12.784 1.322 -8.225 1.00 0.00 C ATOM 1192 CG2 VAL A 75 -14.236 3.359 -8.083 1.00 0.00 C ATOM 0 H VAL A 75 -13.461 4.289 -5.463 1.00 0.00 H new ATOM 0 HA VAL A 75 -14.214 1.496 -5.946 1.00 0.00 H new ATOM 0 HB VAL A 75 -12.206 3.221 -7.446 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.552 1.584 -9.257 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -11.928 0.815 -7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -13.649 0.659 -8.204 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -13.981 3.587 -9.118 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -15.143 2.755 -8.058 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -14.403 4.288 -7.537 1.00 0.00 H new ATOM 1202 N VAL A 76 -12.153 0.383 -5.077 1.00 0.00 N ATOM 1203 CA VAL A 76 -11.016 -0.282 -4.438 1.00 0.00 C ATOM 1204 C VAL A 76 -10.156 -1.008 -5.476 1.00 0.00 C ATOM 1205 O VAL A 76 -10.637 -1.355 -6.557 1.00 0.00 O ATOM 1206 CB VAL A 76 -11.495 -1.295 -3.378 1.00 0.00 C ATOM 1207 CG1 VAL A 76 -10.324 -1.844 -2.577 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -12.526 -0.660 -2.455 1.00 0.00 C ATOM 0 H VAL A 76 -12.912 -0.246 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.418 0.488 -3.952 1.00 0.00 H new ATOM 0 HB VAL A 76 -11.966 -2.128 -3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.691 -2.556 -1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.627 -2.346 -3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.814 -1.025 -2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -12.851 -1.391 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -12.082 0.197 -1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -13.384 -0.330 -3.040 1.00 0.00 H new ATOM 1218 N GLN A 77 -8.885 -1.237 -5.143 1.00 0.00 N ATOM 1219 CA GLN A 77 -7.964 -1.920 -6.050 1.00 0.00 C ATOM 1220 C GLN A 77 -7.922 -3.424 -5.778 1.00 0.00 C ATOM 1221 O GLN A 77 -8.019 -3.862 -4.631 1.00 0.00 O ATOM 1222 CB GLN A 77 -6.554 -1.343 -5.909 1.00 0.00 C ATOM 1223 CG GLN A 77 -6.451 0.137 -6.249 1.00 0.00 C ATOM 1224 CD GLN A 77 -5.051 0.682 -6.043 1.00 0.00 C ATOM 1225 OE1 GLN A 77 -4.853 1.670 -5.335 1.00 0.00 O ATOM 1226 NE2 GLN A 77 -4.065 0.038 -6.661 1.00 0.00 N ATOM 0 H GLN A 77 -8.471 -0.960 -4.253 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.328 -1.761 -7.065 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.212 -1.494 -4.885 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.878 -1.901 -6.557 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.748 0.290 -7.286 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.151 0.699 -5.630 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.271 -0.777 -7.239 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.102 0.359 -6.557 1.00 0.00 H new ATOM 1321 N THR B 1 -13.196 -3.818 -6.497 1.00 0.00 N ATOM 1322 CA THR B 1 -14.495 -3.697 -5.774 1.00 0.00 C ATOM 1323 C THR B 1 -15.018 -2.258 -5.812 1.00 0.00 C ATOM 1324 O THR B 1 -14.244 -1.311 -5.956 1.00 0.00 O ATOM 1325 CB THR B 1 -14.309 -4.162 -4.318 1.00 0.00 C ATOM 1326 OG1 THR B 1 -12.942 -4.122 -3.932 1.00 0.00 O ATOM 1327 CG2 THR B 1 -14.823 -5.568 -4.070 1.00 0.00 C ATOM 0 H1 THR B 1 -13.256 -4.590 -7.191 1.00 0.00 H new ATOM 0 H2 THR B 1 -12.988 -2.926 -6.989 1.00 0.00 H new ATOM 0 H3 THR B 1 -12.437 -4.022 -5.816 1.00 0.00 H new ATOM 0 HA THR B 1 -15.233 -4.328 -6.269 1.00 0.00 H new ATOM 0 HB THR B 1 -14.897 -3.465 -3.721 1.00 0.00 H new ATOM 0 HG1 THR B 1 -12.856 -4.421 -3.003 1.00 0.00 H new ATOM 0 HG21 THR B 1 -14.662 -5.835 -3.026 1.00 0.00 H new ATOM 0 HG22 THR B 1 -15.889 -5.611 -4.296 1.00 0.00 H new ATOM 0 HG23 THR B 1 -14.288 -6.269 -4.710 1.00 0.00 H new ATOM 1337 N LYS B 2 -16.339 -2.105 -5.689 1.00 0.00 N ATOM 1338 CA LYS B 2 -16.969 -0.786 -5.716 1.00 0.00 C ATOM 1339 C LYS B 2 -17.805 -0.551 -4.457 1.00 0.00 C ATOM 1340 O LYS B 2 -18.448 -1.470 -3.946 1.00 0.00 O ATOM 1341 CB LYS B 2 -17.848 -0.641 -6.962 1.00 0.00 C ATOM 1342 CG LYS B 2 -17.752 0.726 -7.623 1.00 0.00 C ATOM 1343 CD LYS B 2 -17.755 0.611 -9.139 1.00 0.00 C ATOM 1344 CE LYS B 2 -18.592 1.709 -9.778 1.00 0.00 C ATOM 1345 NZ LYS B 2 -18.639 1.583 -11.261 1.00 0.00 N ATOM 0 H LYS B 2 -16.992 -2.880 -5.570 1.00 0.00 H new ATOM 0 HA LYS B 2 -16.178 -0.036 -5.748 1.00 0.00 H new ATOM 0 HB2 LYS B 2 -17.566 -1.405 -7.686 1.00 0.00 H new ATOM 0 HB3 LYS B 2 -18.886 -0.830 -6.688 1.00 0.00 H new ATOM 0 HG2 LYS B 2 -18.589 1.346 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS B 2 -16.840 1.226 -7.296 1.00 0.00 H new ATOM 0 HD2 LYS B 2 -16.732 0.668 -9.512 1.00 0.00 H new ATOM 0 HD3 LYS B 2 -18.147 -0.363 -9.431 1.00 0.00 H new ATOM 0 HE2 LYS B 2 -19.606 1.671 -9.379 1.00 0.00 H new ATOM 0 HE3 LYS B 2 -18.180 2.682 -9.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 -19.219 2.350 -11.656 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 -17.675 1.645 -11.645 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 -19.056 0.666 -11.518 1.00 0.00 H new ATOM 1359 N VAL B 3 -17.786 0.688 -3.965 1.00 0.00 N ATOM 1360 CA VAL B 3 -18.534 1.054 -2.765 1.00 0.00 C ATOM 1361 C VAL B 3 -19.414 2.277 -3.021 1.00 0.00 C ATOM 1362 O VAL B 3 -18.937 3.300 -3.514 1.00 0.00 O ATOM 1363 CB VAL B 3 -17.582 1.354 -1.585 1.00 0.00 C ATOM 1364 CG1 VAL B 3 -18.364 1.565 -0.299 1.00 0.00 C ATOM 1365 CG2 VAL B 3 -16.562 0.235 -1.417 1.00 0.00 C ATOM 0 H VAL B 3 -17.259 1.456 -4.381 1.00 0.00 H new ATOM 0 HA VAL B 3 -19.165 0.204 -2.507 1.00 0.00 H new ATOM 0 HB VAL B 3 -17.044 2.275 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL B 3 -17.673 1.775 0.517 1.00 0.00 H new ATOM 0 HG12 VAL B 3 -19.046 2.406 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL B 3 -18.935 0.666 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL B 3 -15.902 0.467 -0.581 1.00 0.00 H new ATOM 0 HG22 VAL B 3 -17.080 -0.703 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL B 3 -15.973 0.140 -2.329 1.00 0.00 H new ATOM 1375 N THR B 4 -20.697 2.166 -2.684 1.00 0.00 N ATOM 1376 CA THR B 4 -21.639 3.265 -2.880 1.00 0.00 C ATOM 1377 C THR B 4 -22.421 3.557 -1.598 1.00 0.00 C ATOM 1378 O THR B 4 -23.301 2.787 -1.209 1.00 0.00 O ATOM 1379 CB THR B 4 -22.596 2.942 -4.035 1.00 0.00 C ATOM 1380 OG1 THR B 4 -21.889 2.404 -5.142 1.00 0.00 O ATOM 1381 CG2 THR B 4 -23.371 4.144 -4.532 1.00 0.00 C ATOM 0 H THR B 4 -21.108 1.327 -2.274 1.00 0.00 H new ATOM 0 HA THR B 4 -21.071 4.160 -3.134 1.00 0.00 H new ATOM 0 HB THR B 4 -23.301 2.219 -3.624 1.00 0.00 H new ATOM 0 HG1 THR B 4 -22.518 2.204 -5.866 1.00 0.00 H new ATOM 0 HG21 THR B 4 -24.027 3.842 -5.348 1.00 0.00 H new ATOM 0 HG22 THR B 4 -23.969 4.553 -3.718 1.00 0.00 H new ATOM 0 HG23 THR B 4 -22.675 4.904 -4.888 1.00 0.00 H new ATOM 1389 N LEU B 5 -22.092 4.679 -0.953 1.00 0.00 N ATOM 1390 CA LEU B 5 -22.758 5.089 0.285 1.00 0.00 C ATOM 1391 C LEU B 5 -23.808 6.161 0.006 1.00 0.00 C ATOM 1392 O LEU B 5 -23.765 6.829 -1.029 1.00 0.00 O ATOM 1393 CB LEU B 5 -21.738 5.625 1.298 1.00 0.00 C ATOM 1394 CG LEU B 5 -20.857 4.569 1.977 1.00 0.00 C ATOM 1395 CD1 LEU B 5 -21.708 3.526 2.693 1.00 0.00 C ATOM 1396 CD2 LEU B 5 -19.935 3.902 0.964 1.00 0.00 C ATOM 0 H LEU B 5 -21.366 5.322 -1.269 1.00 0.00 H new ATOM 0 HA LEU B 5 -23.249 4.211 0.704 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -21.090 6.340 0.790 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -22.275 6.175 2.071 1.00 0.00 H new ATOM 0 HG LEU B 5 -20.242 5.075 2.721 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -21.059 2.789 3.166 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -22.318 4.014 3.454 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -22.357 3.029 1.972 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -19.319 3.157 1.468 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -20.533 3.417 0.192 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -19.292 4.654 0.506 1.00 0.00 H new ATOM 1408 N VAL B 6 -24.748 6.327 0.935 1.00 0.00 N ATOM 1409 CA VAL B 6 -25.807 7.323 0.786 1.00 0.00 C ATOM 1410 C VAL B 6 -25.844 8.265 1.989 1.00 0.00 C ATOM 1411 O VAL B 6 -26.386 7.921 3.043 1.00 0.00 O ATOM 1412 CB VAL B 6 -27.194 6.667 0.611 1.00 0.00 C ATOM 1413 CG1 VAL B 6 -28.244 7.715 0.270 1.00 0.00 C ATOM 1414 CG2 VAL B 6 -27.149 5.580 -0.455 1.00 0.00 C ATOM 0 H VAL B 6 -24.798 5.785 1.798 1.00 0.00 H new ATOM 0 HA VAL B 6 -25.577 7.892 -0.115 1.00 0.00 H new ATOM 0 HB VAL B 6 -27.472 6.201 1.556 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -29.214 7.233 0.151 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -28.300 8.449 1.074 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -27.971 8.215 -0.659 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -28.137 5.133 -0.560 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -26.845 6.016 -1.407 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -26.433 4.812 -0.162 1.00 0.00 H new ATOM 1424 N LYS B 7 -25.264 9.454 1.823 1.00 0.00 N ATOM 1425 CA LYS B 7 -25.228 10.450 2.895 1.00 0.00 C ATOM 1426 C LYS B 7 -26.574 11.158 3.041 1.00 0.00 C ATOM 1427 O LYS B 7 -27.033 11.835 2.118 1.00 0.00 O ATOM 1428 CB LYS B 7 -24.132 11.481 2.629 1.00 0.00 C ATOM 1429 CG LYS B 7 -23.743 12.297 3.854 1.00 0.00 C ATOM 1430 CD LYS B 7 -23.844 13.791 3.581 1.00 0.00 C ATOM 1431 CE LYS B 7 -22.564 14.334 2.959 1.00 0.00 C ATOM 1432 NZ LYS B 7 -22.819 15.050 1.676 1.00 0.00 N ATOM 0 H LYS B 7 -24.813 9.751 0.958 1.00 0.00 H new ATOM 0 HA LYS B 7 -25.012 9.925 3.825 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -23.248 10.968 2.251 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -24.467 12.159 1.844 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -24.392 12.034 4.689 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -22.724 12.048 4.151 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -24.684 13.984 2.914 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -24.049 14.319 4.512 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -22.081 15.013 3.662 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -21.871 13.511 2.782 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -21.989 14.957 1.056 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -23.650 14.637 1.207 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -22.995 16.057 1.869 1.00 0.00 H new ATOM 1532 N GLU B 13 -23.135 10.027 9.725 1.00 0.00 N ATOM 1533 CA GLU B 13 -22.315 10.354 8.569 1.00 0.00 C ATOM 1534 C GLU B 13 -21.686 9.088 7.980 1.00 0.00 C ATOM 1535 O GLU B 13 -21.994 7.973 8.410 1.00 0.00 O ATOM 1536 CB GLU B 13 -21.228 11.358 8.968 1.00 0.00 C ATOM 1537 CG GLU B 13 -20.229 10.818 9.982 1.00 0.00 C ATOM 1538 CD GLU B 13 -19.367 11.907 10.598 1.00 0.00 C ATOM 1539 OE1 GLU B 13 -19.920 12.951 11.007 1.00 0.00 O ATOM 1540 OE2 GLU B 13 -18.137 11.712 10.673 1.00 0.00 O ATOM 0 HA GLU B 13 -22.948 10.805 7.805 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -20.689 11.670 8.073 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -21.703 12.248 9.380 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -20.768 10.296 10.773 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -19.586 10.084 9.496 1.00 0.00 H new ATOM 1547 N TYR B 14 -20.806 9.263 6.997 1.00 0.00 N ATOM 1548 CA TYR B 14 -20.139 8.131 6.356 1.00 0.00 C ATOM 1549 C TYR B 14 -19.433 7.255 7.386 1.00 0.00 C ATOM 1550 O TYR B 14 -19.572 6.030 7.368 1.00 0.00 O ATOM 1551 CB TYR B 14 -19.132 8.618 5.316 1.00 0.00 C ATOM 1552 CG TYR B 14 -19.769 9.294 4.125 1.00 0.00 C ATOM 1553 CD1 TYR B 14 -20.677 8.618 3.319 1.00 0.00 C ATOM 1554 CD2 TYR B 14 -19.463 10.610 3.807 1.00 0.00 C ATOM 1555 CE1 TYR B 14 -21.258 9.233 2.228 1.00 0.00 C ATOM 1556 CE2 TYR B 14 -20.039 11.234 2.719 1.00 0.00 C ATOM 1557 CZ TYR B 14 -20.935 10.541 1.933 1.00 0.00 C ATOM 1558 OH TYR B 14 -21.508 11.161 0.846 1.00 0.00 O ATOM 0 H TYR B 14 -20.538 10.175 6.627 1.00 0.00 H new ATOM 0 HA TYR B 14 -20.904 7.535 5.859 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -18.440 9.314 5.791 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -18.542 7.770 4.969 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -20.932 7.594 3.550 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -18.762 11.155 4.422 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -21.960 8.694 1.610 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -19.790 12.258 2.485 1.00 0.00 H new ATOM 0 HH TYR B 14 -22.288 10.647 0.550 1.00 0.00 H new ATOM 1568 N GLY B 15 -18.672 7.892 8.280 1.00 0.00 N ATOM 1569 CA GLY B 15 -17.951 7.161 9.304 1.00 0.00 C ATOM 1570 C GLY B 15 -16.924 6.210 8.721 1.00 0.00 C ATOM 1571 O GLY B 15 -16.833 5.056 9.140 1.00 0.00 O ATOM 0 H GLY B 15 -18.545 8.904 8.309 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -17.452 7.867 9.968 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -18.660 6.598 9.912 1.00 0.00 H new ATOM 1575 N LEU B 16 -16.148 6.694 7.750 1.00 0.00 N ATOM 1576 CA LEU B 16 -15.123 5.873 7.114 1.00 0.00 C ATOM 1577 C LEU B 16 -13.728 6.424 7.401 1.00 0.00 C ATOM 1578 O LEU B 16 -13.358 7.498 6.920 1.00 0.00 O ATOM 1579 CB LEU B 16 -15.364 5.772 5.598 1.00 0.00 C ATOM 1580 CG LEU B 16 -15.255 7.088 4.817 1.00 0.00 C ATOM 1581 CD1 LEU B 16 -13.914 7.178 4.102 1.00 0.00 C ATOM 1582 CD2 LEU B 16 -16.400 7.218 3.821 1.00 0.00 C ATOM 0 H LEU B 16 -16.211 7.646 7.390 1.00 0.00 H new ATOM 0 HA LEU B 16 -15.187 4.870 7.537 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -14.648 5.064 5.181 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -16.358 5.355 5.434 1.00 0.00 H new ATOM 0 HG LEU B 16 -15.322 7.912 5.527 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -13.856 8.118 3.554 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -13.108 7.135 4.834 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -13.817 6.345 3.405 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -16.304 8.158 3.277 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -16.366 6.387 3.117 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -17.350 7.203 4.355 1.00 0.00 H new ATOM 1594 N ARG B 17 -12.954 5.677 8.187 1.00 0.00 N ATOM 1595 CA ARG B 17 -11.596 6.083 8.535 1.00 0.00 C ATOM 1596 C ARG B 17 -10.670 5.879 7.346 1.00 0.00 C ATOM 1597 O ARG B 17 -10.444 4.749 6.916 1.00 0.00 O ATOM 1598 CB ARG B 17 -11.081 5.286 9.740 1.00 0.00 C ATOM 1599 CG ARG B 17 -10.616 6.161 10.891 1.00 0.00 C ATOM 1600 CD ARG B 17 -9.365 6.949 10.527 1.00 0.00 C ATOM 1601 NE ARG B 17 -9.578 8.394 10.621 1.00 0.00 N ATOM 1602 CZ ARG B 17 -8.611 9.305 10.462 1.00 0.00 C ATOM 1603 NH1 ARG B 17 -7.363 8.929 10.188 1.00 0.00 N ATOM 1604 NH2 ARG B 17 -8.895 10.598 10.575 1.00 0.00 N ATOM 0 H ARG B 17 -13.245 4.788 8.594 1.00 0.00 H new ATOM 0 HA ARG B 17 -11.612 7.140 8.801 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -11.872 4.625 10.093 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -10.255 4.651 9.420 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -11.413 6.851 11.169 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -10.414 5.539 11.763 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -8.549 6.659 11.189 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -9.058 6.693 9.513 1.00 0.00 H new ATOM 0 HE ARG B 17 -10.521 8.727 10.820 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -7.137 7.938 10.097 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -6.633 9.632 10.069 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -9.849 10.894 10.783 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -8.159 11.294 10.454 1.00 0.00 H new ATOM 1618 N LEU B 18 -10.144 6.976 6.812 1.00 0.00 N ATOM 1619 CA LEU B 18 -9.249 6.907 5.665 1.00 0.00 C ATOM 1620 C LEU B 18 -7.814 7.250 6.059 1.00 0.00 C ATOM 1621 O LEU B 18 -7.566 7.797 7.137 1.00 0.00 O ATOM 1622 CB LEU B 18 -9.735 7.844 4.559 1.00 0.00 C ATOM 1623 CG LEU B 18 -9.666 7.257 3.148 1.00 0.00 C ATOM 1624 CD1 LEU B 18 -11.038 7.262 2.495 1.00 0.00 C ATOM 1625 CD2 LEU B 18 -8.664 8.026 2.302 1.00 0.00 C ATOM 0 H LEU B 18 -10.322 7.920 7.154 1.00 0.00 H new ATOM 0 HA LEU B 18 -9.257 5.883 5.292 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -10.766 8.128 4.769 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -9.140 8.757 4.588 1.00 0.00 H new ATOM 0 HG LEU B 18 -9.331 6.222 3.222 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -10.965 6.840 1.492 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -11.727 6.664 3.091 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -11.407 8.286 2.432 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -8.627 7.596 1.301 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -8.969 9.071 2.237 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -7.677 7.964 2.761 1.00 0.00 H new ATOM 1637 N ALA B 19 -6.875 6.916 5.177 1.00 0.00 N ATOM 1638 CA ALA B 19 -5.459 7.175 5.419 1.00 0.00 C ATOM 1639 C ALA B 19 -4.675 7.231 4.108 1.00 0.00 C ATOM 1640 O ALA B 19 -5.236 7.024 3.029 1.00 0.00 O ATOM 1641 CB ALA B 19 -4.886 6.108 6.338 1.00 0.00 C ATOM 0 H ALA B 19 -7.071 6.463 4.284 1.00 0.00 H new ATOM 0 HA ALA B 19 -5.366 8.147 5.903 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -3.829 6.308 6.514 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -5.420 6.121 7.288 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -4.997 5.129 5.872 1.00 0.00 H new ATOM 1647 N SER B 20 -3.374 7.509 4.205 1.00 0.00 N ATOM 1648 CA SER B 20 -2.520 7.590 3.024 1.00 0.00 C ATOM 1649 C SER B 20 -1.224 6.811 3.227 1.00 0.00 C ATOM 1650 O SER B 20 -0.752 6.648 4.354 1.00 0.00 O ATOM 1651 CB SER B 20 -2.209 9.050 2.683 1.00 0.00 C ATOM 1652 OG SER B 20 -1.402 9.655 3.681 1.00 0.00 O ATOM 0 H SER B 20 -2.892 7.681 5.087 1.00 0.00 H new ATOM 0 HA SER B 20 -3.061 7.141 2.191 1.00 0.00 H new ATOM 0 HB2 SER B 20 -1.699 9.100 1.721 1.00 0.00 H new ATOM 0 HB3 SER B 20 -3.140 9.607 2.579 1.00 0.00 H new ATOM 0 HG SER B 20 -0.823 10.330 3.269 1.00 0.00 H new ATOM 1658 N HIS B 21 -0.654 6.332 2.124 1.00 0.00 N ATOM 1659 CA HIS B 21 0.587 5.568 2.167 1.00 0.00 C ATOM 1660 C HIS B 21 1.657 6.206 1.281 1.00 0.00 C ATOM 1661 O HIS B 21 1.350 7.035 0.423 1.00 0.00 O ATOM 1662 CB HIS B 21 0.327 4.130 1.713 1.00 0.00 C ATOM 1663 CG HIS B 21 0.581 3.114 2.780 1.00 0.00 C ATOM 1664 ND1 HIS B 21 1.593 2.184 2.703 1.00 0.00 N ATOM 1665 CD2 HIS B 21 -0.048 2.888 3.954 1.00 0.00 C ATOM 1666 CE1 HIS B 21 1.574 1.426 3.783 1.00 0.00 C ATOM 1667 NE2 HIS B 21 0.588 1.832 4.559 1.00 0.00 N ATOM 0 H HIS B 21 -1.035 6.461 1.187 1.00 0.00 H new ATOM 0 HA HIS B 21 0.951 5.566 3.194 1.00 0.00 H new ATOM 0 HB2 HIS B 21 -0.707 4.044 1.379 1.00 0.00 H new ATOM 0 HB3 HIS B 21 0.959 3.909 0.853 1.00 0.00 H new ATOM 0 HD2 HIS B 21 -0.893 3.436 4.344 1.00 0.00 H new ATOM 0 HE1 HIS B 21 2.251 0.612 3.995 1.00 0.00 H new ATOM 0 HE2 HIS B 21 0.338 1.428 5.462 1.00 0.00 H new ATOM 1676 N ILE B 22 2.913 5.810 1.491 1.00 0.00 N ATOM 1677 CA ILE B 22 4.028 6.335 0.709 1.00 0.00 C ATOM 1678 C ILE B 22 4.782 5.194 0.022 1.00 0.00 C ATOM 1679 O ILE B 22 5.068 4.167 0.642 1.00 0.00 O ATOM 1680 CB ILE B 22 5.001 7.162 1.593 1.00 0.00 C ATOM 1681 CG1 ILE B 22 4.495 8.603 1.740 1.00 0.00 C ATOM 1682 CG2 ILE B 22 6.412 7.155 1.016 1.00 0.00 C ATOM 1683 CD1 ILE B 22 3.161 8.717 2.448 1.00 0.00 C ATOM 0 H ILE B 22 3.182 5.126 2.198 1.00 0.00 H new ATOM 0 HA ILE B 22 3.616 6.999 -0.051 1.00 0.00 H new ATOM 0 HB ILE B 22 5.036 6.697 2.578 1.00 0.00 H new ATOM 0 HG12 ILE B 22 5.237 9.184 2.288 1.00 0.00 H new ATOM 0 HG13 ILE B 22 4.409 9.050 0.750 1.00 0.00 H new ATOM 0 HG21 ILE B 22 7.070 7.742 1.657 1.00 0.00 H new ATOM 0 HG22 ILE B 22 6.778 6.130 0.962 1.00 0.00 H new ATOM 0 HG23 ILE B 22 6.398 7.588 0.016 1.00 0.00 H new ATOM 0 HD11 ILE B 22 2.872 9.766 2.512 1.00 0.00 H new ATOM 0 HD12 ILE B 22 2.404 8.166 1.890 1.00 0.00 H new ATOM 0 HD13 ILE B 22 3.245 8.302 3.452 1.00 0.00 H new ATOM 1695 N PHE B 23 5.088 5.378 -1.262 1.00 0.00 N ATOM 1696 CA PHE B 23 5.797 4.361 -2.037 1.00 0.00 C ATOM 1697 C PHE B 23 6.775 4.997 -3.029 1.00 0.00 C ATOM 1698 O PHE B 23 6.862 6.223 -3.133 1.00 0.00 O ATOM 1699 CB PHE B 23 4.791 3.478 -2.787 1.00 0.00 C ATOM 1700 CG PHE B 23 4.116 4.181 -3.932 1.00 0.00 C ATOM 1701 CD1 PHE B 23 3.234 5.222 -3.696 1.00 0.00 C ATOM 1702 CD2 PHE B 23 4.378 3.813 -5.242 1.00 0.00 C ATOM 1703 CE1 PHE B 23 2.621 5.878 -4.743 1.00 0.00 C ATOM 1704 CE2 PHE B 23 3.768 4.468 -6.294 1.00 0.00 C ATOM 1705 CZ PHE B 23 2.889 5.503 -6.044 1.00 0.00 C ATOM 0 H PHE B 23 4.856 6.221 -1.787 1.00 0.00 H new ATOM 0 HA PHE B 23 6.372 3.748 -1.343 1.00 0.00 H new ATOM 0 HB2 PHE B 23 5.306 2.595 -3.165 1.00 0.00 H new ATOM 0 HB3 PHE B 23 4.032 3.129 -2.087 1.00 0.00 H new ATOM 0 HD1 PHE B 23 3.024 5.524 -2.681 1.00 0.00 H new ATOM 0 HD2 PHE B 23 5.066 3.005 -5.443 1.00 0.00 H new ATOM 0 HE1 PHE B 23 1.931 6.685 -4.545 1.00 0.00 H new ATOM 0 HE2 PHE B 23 3.978 4.171 -7.311 1.00 0.00 H new ATOM 0 HZ PHE B 23 2.412 6.018 -6.865 1.00 0.00 H new ATOM 1715 N VAL B 24 7.503 4.151 -3.758 1.00 0.00 N ATOM 1716 CA VAL B 24 8.472 4.619 -4.746 1.00 0.00 C ATOM 1717 C VAL B 24 7.965 4.373 -6.166 1.00 0.00 C ATOM 1718 O VAL B 24 7.881 3.228 -6.615 1.00 0.00 O ATOM 1719 CB VAL B 24 9.841 3.923 -4.569 1.00 0.00 C ATOM 1720 CG1 VAL B 24 10.887 4.546 -5.484 1.00 0.00 C ATOM 1721 CG2 VAL B 24 10.295 3.985 -3.116 1.00 0.00 C ATOM 0 H VAL B 24 7.439 3.136 -3.682 1.00 0.00 H new ATOM 0 HA VAL B 24 8.598 5.690 -4.587 1.00 0.00 H new ATOM 0 HB VAL B 24 9.725 2.875 -4.847 1.00 0.00 H new ATOM 0 HG11 VAL B 24 11.842 4.040 -5.342 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.571 4.441 -6.522 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.997 5.603 -5.244 1.00 0.00 H new ATOM 0 HG21 VAL B 24 11.260 3.489 -3.015 1.00 0.00 H new ATOM 0 HG22 VAL B 24 10.388 5.026 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL B 24 9.562 3.484 -2.484 1.00 0.00 H new ATOM 1731 N LYS B 25 7.630 5.457 -6.868 1.00 0.00 N ATOM 1732 CA LYS B 25 7.131 5.367 -8.243 1.00 0.00 C ATOM 1733 C LYS B 25 8.158 4.704 -9.165 1.00 0.00 C ATOM 1734 O LYS B 25 7.799 3.888 -10.015 1.00 0.00 O ATOM 1735 CB LYS B 25 6.778 6.762 -8.775 1.00 0.00 C ATOM 1736 CG LYS B 25 5.513 6.795 -9.623 1.00 0.00 C ATOM 1737 CD LYS B 25 4.683 8.040 -9.344 1.00 0.00 C ATOM 1738 CE LYS B 25 3.765 8.383 -10.511 1.00 0.00 C ATOM 1739 NZ LYS B 25 2.400 7.804 -10.343 1.00 0.00 N ATOM 0 H LYS B 25 7.695 6.409 -6.507 1.00 0.00 H new ATOM 0 HA LYS B 25 6.233 4.749 -8.231 1.00 0.00 H new ATOM 0 HB2 LYS B 25 6.657 7.442 -7.932 1.00 0.00 H new ATOM 0 HB3 LYS B 25 7.612 7.136 -9.369 1.00 0.00 H new ATOM 0 HG2 LYS B 25 5.781 6.765 -10.679 1.00 0.00 H new ATOM 0 HG3 LYS B 25 4.916 5.906 -9.421 1.00 0.00 H new ATOM 0 HD2 LYS B 25 4.086 7.885 -8.446 1.00 0.00 H new ATOM 0 HD3 LYS B 25 5.346 8.882 -9.144 1.00 0.00 H new ATOM 0 HE2 LYS B 25 3.689 9.466 -10.605 1.00 0.00 H new ATOM 0 HE3 LYS B 25 4.204 8.012 -11.437 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 2.107 7.343 -11.228 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 2.412 7.103 -9.575 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 1.728 8.562 -10.109 1.00 0.00 H new ATOM 1753 N GLU B 26 9.434 5.062 -8.990 1.00 0.00 N ATOM 1754 CA GLU B 26 10.514 4.506 -9.806 1.00 0.00 C ATOM 1755 C GLU B 26 11.879 4.946 -9.279 1.00 0.00 C ATOM 1756 O GLU B 26 11.966 5.746 -8.348 1.00 0.00 O ATOM 1757 CB GLU B 26 10.360 4.942 -11.268 1.00 0.00 C ATOM 1758 CG GLU B 26 10.123 3.789 -12.232 1.00 0.00 C ATOM 1759 CD GLU B 26 10.790 4.000 -13.578 1.00 0.00 C ATOM 1760 OE1 GLU B 26 10.601 5.083 -14.173 1.00 0.00 O ATOM 1761 OE2 GLU B 26 11.500 3.082 -14.038 1.00 0.00 O ATOM 0 H GLU B 26 9.743 5.735 -8.289 1.00 0.00 H new ATOM 0 HA GLU B 26 10.451 3.419 -9.748 1.00 0.00 H new ATOM 0 HB2 GLU B 26 9.528 5.642 -11.343 1.00 0.00 H new ATOM 0 HB3 GLU B 26 11.258 5.480 -11.573 1.00 0.00 H new ATOM 0 HG2 GLU B 26 10.497 2.867 -11.787 1.00 0.00 H new ATOM 0 HG3 GLU B 26 9.051 3.660 -12.380 1.00 0.00 H new ATOM 1768 N ILE B 27 12.941 4.419 -9.886 1.00 0.00 N ATOM 1769 CA ILE B 27 14.304 4.762 -9.485 1.00 0.00 C ATOM 1770 C ILE B 27 15.147 5.150 -10.698 1.00 0.00 C ATOM 1771 O ILE B 27 14.982 4.593 -11.784 1.00 0.00 O ATOM 1772 CB ILE B 27 14.994 3.598 -8.737 1.00 0.00 C ATOM 1773 CG1 ILE B 27 14.095 3.070 -7.616 1.00 0.00 C ATOM 1774 CG2 ILE B 27 16.334 4.049 -8.171 1.00 0.00 C ATOM 1775 CD1 ILE B 27 13.379 1.786 -7.968 1.00 0.00 C ATOM 0 H ILE B 27 12.884 3.753 -10.657 1.00 0.00 H new ATOM 0 HA ILE B 27 14.228 5.612 -8.807 1.00 0.00 H new ATOM 0 HB ILE B 27 15.170 2.791 -9.448 1.00 0.00 H new ATOM 0 HG12 ILE B 27 14.699 2.906 -6.724 1.00 0.00 H new ATOM 0 HG13 ILE B 27 13.356 3.831 -7.365 1.00 0.00 H new ATOM 0 HG21 ILE B 27 16.806 3.218 -7.648 1.00 0.00 H new ATOM 0 HG22 ILE B 27 16.980 4.380 -8.984 1.00 0.00 H new ATOM 0 HG23 ILE B 27 16.176 4.873 -7.475 1.00 0.00 H new ATOM 0 HD11 ILE B 27 12.761 1.472 -7.127 1.00 0.00 H new ATOM 0 HD12 ILE B 27 12.748 1.949 -8.841 1.00 0.00 H new ATOM 0 HD13 ILE B 27 14.112 1.010 -8.190 1.00 0.00 H new ATOM 1787 N SER B 28 16.053 6.108 -10.504 1.00 0.00 N ATOM 1788 CA SER B 28 16.924 6.574 -11.579 1.00 0.00 C ATOM 1789 C SER B 28 18.166 5.699 -11.691 1.00 0.00 C ATOM 1790 O SER B 28 18.747 5.295 -10.681 1.00 0.00 O ATOM 1791 CB SER B 28 17.335 8.031 -11.343 1.00 0.00 C ATOM 1792 OG SER B 28 16.220 8.901 -11.453 1.00 0.00 O ATOM 0 H SER B 28 16.202 6.576 -9.610 1.00 0.00 H new ATOM 0 HA SER B 28 16.367 6.508 -12.514 1.00 0.00 H new ATOM 0 HB2 SER B 28 17.781 8.130 -10.354 1.00 0.00 H new ATOM 0 HB3 SER B 28 18.097 8.319 -12.067 1.00 0.00 H new ATOM 0 HG SER B 28 15.753 8.945 -10.592 1.00 0.00 H new ATOM 1798 N GLN B 29 18.573 5.418 -12.927 1.00 0.00 N ATOM 1799 CA GLN B 29 19.756 4.600 -13.174 1.00 0.00 C ATOM 1800 C GLN B 29 21.026 5.393 -12.879 1.00 0.00 C ATOM 1801 O GLN B 29 21.011 6.625 -12.872 1.00 0.00 O ATOM 1802 CB GLN B 29 19.773 4.090 -14.620 1.00 0.00 C ATOM 1803 CG GLN B 29 19.797 5.194 -15.668 1.00 0.00 C ATOM 1804 CD GLN B 29 18.430 5.452 -16.274 1.00 0.00 C ATOM 1805 OE1 GLN B 29 17.545 6.007 -15.621 1.00 0.00 O ATOM 1806 NE2 GLN B 29 18.247 5.049 -17.527 1.00 0.00 N ATOM 0 H GLN B 29 18.102 5.744 -13.771 1.00 0.00 H new ATOM 0 HA GLN B 29 19.718 3.740 -12.506 1.00 0.00 H new ATOM 0 HB2 GLN B 29 20.646 3.453 -14.759 1.00 0.00 H new ATOM 0 HB3 GLN B 29 18.894 3.467 -14.784 1.00 0.00 H new ATOM 0 HG2 GLN B 29 20.169 6.113 -15.214 1.00 0.00 H new ATOM 0 HG3 GLN B 29 20.496 4.924 -16.459 1.00 0.00 H new ATOM 0 HE21 GLN B 29 19.007 4.593 -18.032 1.00 0.00 H new ATOM 0 HE22 GLN B 29 17.347 5.196 -17.984 1.00 0.00 H new ATOM 1815 N ASP B 30 22.121 4.676 -12.626 1.00 0.00 N ATOM 1816 CA ASP B 30 23.406 5.303 -12.316 1.00 0.00 C ATOM 1817 C ASP B 30 23.290 6.240 -11.108 1.00 0.00 C ATOM 1818 O ASP B 30 23.951 7.278 -11.048 1.00 0.00 O ATOM 1819 CB ASP B 30 23.936 6.068 -13.534 1.00 0.00 C ATOM 1820 CG ASP B 30 24.737 5.182 -14.470 1.00 0.00 C ATOM 1821 OD1 ASP B 30 25.747 4.601 -14.019 1.00 0.00 O ATOM 1822 OD2 ASP B 30 24.353 5.068 -15.653 1.00 0.00 O ATOM 0 H ASP B 30 22.143 3.656 -12.630 1.00 0.00 H new ATOM 0 HA ASP B 30 24.112 4.512 -12.062 1.00 0.00 H new ATOM 0 HB2 ASP B 30 23.098 6.504 -14.079 1.00 0.00 H new ATOM 0 HB3 ASP B 30 24.561 6.895 -13.197 1.00 0.00 H new ATOM 1827 N SER B 31 22.445 5.862 -10.145 1.00 0.00 N ATOM 1828 CA SER B 31 22.243 6.660 -8.940 1.00 0.00 C ATOM 1829 C SER B 31 22.598 5.854 -7.692 1.00 0.00 C ATOM 1830 O SER B 31 22.968 4.680 -7.785 1.00 0.00 O ATOM 1831 CB SER B 31 20.790 7.143 -8.867 1.00 0.00 C ATOM 1832 OG SER B 31 20.640 8.406 -9.493 1.00 0.00 O ATOM 0 H SER B 31 21.891 5.007 -10.180 1.00 0.00 H new ATOM 0 HA SER B 31 22.902 7.527 -8.984 1.00 0.00 H new ATOM 0 HB2 SER B 31 20.137 6.415 -9.349 1.00 0.00 H new ATOM 0 HB3 SER B 31 20.478 7.211 -7.825 1.00 0.00 H new ATOM 0 HG SER B 31 20.163 9.015 -8.891 1.00 0.00 H new ATOM 1838 N LEU B 32 22.486 6.491 -6.527 1.00 0.00 N ATOM 1839 CA LEU B 32 22.796 5.835 -5.256 1.00 0.00 C ATOM 1840 C LEU B 32 21.910 4.610 -5.033 1.00 0.00 C ATOM 1841 O LEU B 32 22.379 3.582 -4.545 1.00 0.00 O ATOM 1842 CB LEU B 32 22.635 6.819 -4.094 1.00 0.00 C ATOM 1843 CG LEU B 32 23.663 7.951 -4.062 1.00 0.00 C ATOM 1844 CD1 LEU B 32 23.168 9.094 -3.190 1.00 0.00 C ATOM 1845 CD2 LEU B 32 25.004 7.434 -3.562 1.00 0.00 C ATOM 0 H LEU B 32 22.183 7.461 -6.436 1.00 0.00 H new ATOM 0 HA LEU B 32 23.833 5.501 -5.298 1.00 0.00 H new ATOM 0 HB2 LEU B 32 21.637 7.255 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU B 32 22.696 6.265 -3.157 1.00 0.00 H new ATOM 0 HG LEU B 32 23.797 8.329 -5.076 1.00 0.00 H new ATOM 0 HD11 LEU B 32 23.911 9.891 -3.178 1.00 0.00 H new ATOM 0 HD12 LEU B 32 22.230 9.478 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU B 32 23.007 8.733 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU B 32 25.725 8.251 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU B 32 24.887 7.032 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU B 32 25.362 6.648 -4.227 1.00 0.00 H new ATOM 1857 N ALA B 33 20.630 4.722 -5.399 1.00 0.00 N ATOM 1858 CA ALA B 33 19.685 3.615 -5.245 1.00 0.00 C ATOM 1859 C ALA B 33 20.108 2.409 -6.081 1.00 0.00 C ATOM 1860 O ALA B 33 20.101 1.279 -5.596 1.00 0.00 O ATOM 1861 CB ALA B 33 18.280 4.055 -5.629 1.00 0.00 C ATOM 0 H ALA B 33 20.226 5.567 -5.803 1.00 0.00 H new ATOM 0 HA ALA B 33 19.686 3.318 -4.196 1.00 0.00 H new ATOM 0 HB1 ALA B 33 17.591 3.219 -5.508 1.00 0.00 H new ATOM 0 HB2 ALA B 33 17.968 4.878 -4.986 1.00 0.00 H new ATOM 0 HB3 ALA B 33 18.273 4.384 -6.668 1.00 0.00 H new ATOM 1867 N ALA B 34 20.482 2.661 -7.339 1.00 0.00 N ATOM 1868 CA ALA B 34 20.917 1.595 -8.243 1.00 0.00 C ATOM 1869 C ALA B 34 22.159 0.888 -7.701 1.00 0.00 C ATOM 1870 O ALA B 34 22.292 -0.330 -7.827 1.00 0.00 O ATOM 1871 CB ALA B 34 21.189 2.155 -9.633 1.00 0.00 C ATOM 0 H ALA B 34 20.492 3.593 -7.753 1.00 0.00 H new ATOM 0 HA ALA B 34 20.113 0.862 -8.312 1.00 0.00 H new ATOM 0 HB1 ALA B 34 21.511 1.350 -10.293 1.00 0.00 H new ATOM 0 HB2 ALA B 34 20.279 2.606 -10.028 1.00 0.00 H new ATOM 0 HB3 ALA B 34 21.972 2.911 -9.574 1.00 0.00 H new ATOM 1877 N ARG B 35 23.061 1.660 -7.092 1.00 0.00 N ATOM 1878 CA ARG B 35 24.286 1.107 -6.520 1.00 0.00 C ATOM 1879 C ARG B 35 23.985 0.353 -5.226 1.00 0.00 C ATOM 1880 O ARG B 35 24.504 -0.741 -5.003 1.00 0.00 O ATOM 1881 CB ARG B 35 25.299 2.222 -6.244 1.00 0.00 C ATOM 1882 CG ARG B 35 26.747 1.768 -6.345 1.00 0.00 C ATOM 1883 CD ARG B 35 27.560 2.230 -5.145 1.00 0.00 C ATOM 1884 NE ARG B 35 28.992 1.985 -5.322 1.00 0.00 N ATOM 1885 CZ ARG B 35 29.879 1.981 -4.325 1.00 0.00 C ATOM 1886 NH1 ARG B 35 29.489 2.209 -3.072 1.00 0.00 N ATOM 1887 NH2 ARG B 35 31.162 1.746 -4.578 1.00 0.00 N ATOM 0 H ARG B 35 22.965 2.670 -6.983 1.00 0.00 H new ATOM 0 HA ARG B 35 24.711 0.410 -7.242 1.00 0.00 H new ATOM 0 HB2 ARG B 35 25.132 3.036 -6.950 1.00 0.00 H new ATOM 0 HB3 ARG B 35 25.122 2.624 -5.246 1.00 0.00 H new ATOM 0 HG2 ARG B 35 26.785 0.681 -6.415 1.00 0.00 H new ATOM 0 HG3 ARG B 35 27.190 2.162 -7.260 1.00 0.00 H new ATOM 0 HD2 ARG B 35 27.392 3.295 -4.982 1.00 0.00 H new ATOM 0 HD3 ARG B 35 27.212 1.712 -4.251 1.00 0.00 H new ATOM 0 HE ARG B 35 29.333 1.806 -6.266 1.00 0.00 H new ATOM 0 HH11 ARG B 35 28.506 2.388 -2.869 1.00 0.00 H new ATOM 0 HH12 ARG B 35 30.174 2.204 -2.316 1.00 0.00 H new ATOM 0 HH21 ARG B 35 31.469 1.569 -5.534 1.00 0.00 H new ATOM 0 HH22 ARG B 35 31.840 1.743 -3.816 1.00 0.00 H new ATOM 1901 N ASP B 36 23.144 0.946 -4.380 1.00 0.00 N ATOM 1902 CA ASP B 36 22.769 0.333 -3.106 1.00 0.00 C ATOM 1903 C ASP B 36 21.993 -0.963 -3.327 1.00 0.00 C ATOM 1904 O ASP B 36 22.150 -1.924 -2.572 1.00 0.00 O ATOM 1905 CB ASP B 36 21.924 1.304 -2.276 1.00 0.00 C ATOM 1906 CG ASP B 36 22.163 1.160 -0.784 1.00 0.00 C ATOM 1907 OD1 ASP B 36 23.314 1.359 -0.342 1.00 0.00 O ATOM 1908 OD2 ASP B 36 21.194 0.855 -0.058 1.00 0.00 O ATOM 0 H ASP B 36 22.709 1.852 -4.554 1.00 0.00 H new ATOM 0 HA ASP B 36 23.686 0.100 -2.565 1.00 0.00 H new ATOM 0 HB2 ASP B 36 22.150 2.326 -2.579 1.00 0.00 H new ATOM 0 HB3 ASP B 36 20.869 1.134 -2.489 1.00 0.00 H new ATOM 1913 N GLY B 37 21.148 -0.980 -4.362 1.00 0.00 N ATOM 1914 CA GLY B 37 20.354 -2.159 -4.659 1.00 0.00 C ATOM 1915 C GLY B 37 19.339 -2.468 -3.571 1.00 0.00 C ATOM 1916 O GLY B 37 19.102 -3.635 -3.254 1.00 0.00 O ATOM 0 H GLY B 37 21.002 -0.196 -4.998 1.00 0.00 H new ATOM 0 HA2 GLY B 37 19.834 -2.013 -5.606 1.00 0.00 H new ATOM 0 HA3 GLY B 37 21.016 -3.016 -4.788 1.00 0.00 H new ATOM 1920 N ASN B 38 18.745 -1.423 -2.992 1.00 0.00 N ATOM 1921 CA ASN B 38 17.758 -1.594 -1.927 1.00 0.00 C ATOM 1922 C ASN B 38 16.370 -1.127 -2.362 1.00 0.00 C ATOM 1923 O ASN B 38 15.367 -1.767 -2.044 1.00 0.00 O ATOM 1924 CB ASN B 38 18.195 -0.839 -0.669 1.00 0.00 C ATOM 1925 CG ASN B 38 19.066 -1.688 0.239 1.00 0.00 C ATOM 1926 OD1 ASN B 38 18.671 -2.028 1.355 1.00 0.00 O ATOM 1927 ND2 ASN B 38 20.257 -2.035 -0.234 1.00 0.00 N ATOM 0 H ASN B 38 18.930 -0.452 -3.243 1.00 0.00 H new ATOM 0 HA ASN B 38 17.698 -2.659 -1.704 1.00 0.00 H new ATOM 0 HB2 ASN B 38 18.742 0.058 -0.958 1.00 0.00 H new ATOM 0 HB3 ASN B 38 17.312 -0.511 -0.120 1.00 0.00 H new ATOM 0 HD21 ASN B 38 20.885 -2.605 0.333 1.00 0.00 H new ATOM 0 HD22 ASN B 38 20.544 -1.731 -1.164 1.00 0.00 H new ATOM 1934 N ILE B 39 16.314 -0.007 -3.086 1.00 0.00 N ATOM 1935 CA ILE B 39 15.043 0.538 -3.555 1.00 0.00 C ATOM 1936 C ILE B 39 14.631 -0.086 -4.888 1.00 0.00 C ATOM 1937 O ILE B 39 15.440 -0.186 -5.815 1.00 0.00 O ATOM 1938 CB ILE B 39 15.104 2.073 -3.717 1.00 0.00 C ATOM 1939 CG1 ILE B 39 15.664 2.725 -2.450 1.00 0.00 C ATOM 1940 CG2 ILE B 39 13.721 2.630 -4.038 1.00 0.00 C ATOM 1941 CD1 ILE B 39 16.445 3.992 -2.718 1.00 0.00 C ATOM 0 H ILE B 39 17.133 0.537 -3.358 1.00 0.00 H new ATOM 0 HA ILE B 39 14.301 0.292 -2.795 1.00 0.00 H new ATOM 0 HB ILE B 39 15.771 2.306 -4.547 1.00 0.00 H new ATOM 0 HG12 ILE B 39 14.840 2.952 -1.773 1.00 0.00 H new ATOM 0 HG13 ILE B 39 16.310 2.011 -1.938 1.00 0.00 H new ATOM 0 HG21 ILE B 39 13.782 3.713 -4.149 1.00 0.00 H new ATOM 0 HG22 ILE B 39 13.358 2.190 -4.967 1.00 0.00 H new ATOM 0 HG23 ILE B 39 13.034 2.386 -3.228 1.00 0.00 H new ATOM 0 HD11 ILE B 39 16.812 4.399 -1.776 1.00 0.00 H new ATOM 0 HD12 ILE B 39 17.289 3.768 -3.370 1.00 0.00 H new ATOM 0 HD13 ILE B 39 15.797 4.723 -3.202 1.00 0.00 H new ATOM 1953 N GLN B 40 13.368 -0.502 -4.975 1.00 0.00 N ATOM 1954 CA GLN B 40 12.834 -1.118 -6.187 1.00 0.00 C ATOM 1955 C GLN B 40 11.523 -0.449 -6.600 1.00 0.00 C ATOM 1956 O GLN B 40 10.770 0.031 -5.751 1.00 0.00 O ATOM 1957 CB GLN B 40 12.608 -2.616 -5.958 1.00 0.00 C ATOM 1958 CG GLN B 40 12.260 -3.393 -7.221 1.00 0.00 C ATOM 1959 CD GLN B 40 13.435 -4.185 -7.770 1.00 0.00 C ATOM 1960 OE1 GLN B 40 14.300 -4.640 -7.020 1.00 0.00 O ATOM 1961 NE2 GLN B 40 13.469 -4.360 -9.086 1.00 0.00 N ATOM 0 H GLN B 40 12.693 -0.422 -4.215 1.00 0.00 H new ATOM 0 HA GLN B 40 13.558 -0.984 -6.990 1.00 0.00 H new ATOM 0 HB2 GLN B 40 13.508 -3.045 -5.517 1.00 0.00 H new ATOM 0 HB3 GLN B 40 11.805 -2.745 -5.232 1.00 0.00 H new ATOM 0 HG2 GLN B 40 11.437 -4.075 -7.007 1.00 0.00 H new ATOM 0 HG3 GLN B 40 11.908 -2.698 -7.984 1.00 0.00 H new ATOM 0 HE21 GLN B 40 12.733 -3.967 -9.672 1.00 0.00 H new ATOM 0 HE22 GLN B 40 14.231 -4.888 -9.511 1.00 0.00 H new ATOM 1970 N GLU B 41 11.257 -0.421 -7.910 1.00 0.00 N ATOM 1971 CA GLU B 41 10.034 0.189 -8.438 1.00 0.00 C ATOM 1972 C GLU B 41 8.798 -0.438 -7.794 1.00 0.00 C ATOM 1973 O GLU B 41 8.541 -1.634 -7.958 1.00 0.00 O ATOM 1974 CB GLU B 41 9.966 0.029 -9.961 1.00 0.00 C ATOM 1975 CG GLU B 41 8.760 0.708 -10.599 1.00 0.00 C ATOM 1976 CD GLU B 41 8.704 0.536 -12.108 1.00 0.00 C ATOM 1977 OE1 GLU B 41 9.771 0.593 -12.758 1.00 0.00 O ATOM 1978 OE2 GLU B 41 7.593 0.345 -12.641 1.00 0.00 O ATOM 0 H GLU B 41 11.872 -0.813 -8.623 1.00 0.00 H new ATOM 0 HA GLU B 41 10.055 1.252 -8.196 1.00 0.00 H new ATOM 0 HB2 GLU B 41 10.876 0.438 -10.401 1.00 0.00 H new ATOM 0 HB3 GLU B 41 9.944 -1.033 -10.204 1.00 0.00 H new ATOM 0 HG2 GLU B 41 7.849 0.303 -10.160 1.00 0.00 H new ATOM 0 HG3 GLU B 41 8.782 1.772 -10.362 1.00 0.00 H new ATOM 1985 N GLY B 42 8.044 0.373 -7.056 1.00 0.00 N ATOM 1986 CA GLY B 42 6.849 -0.120 -6.390 1.00 0.00 C ATOM 1987 C GLY B 42 7.042 -0.335 -4.893 1.00 0.00 C ATOM 1988 O GLY B 42 6.096 -0.707 -4.196 1.00 0.00 O ATOM 0 H GLY B 42 8.239 1.363 -6.907 1.00 0.00 H new ATOM 0 HA2 GLY B 42 6.035 0.588 -6.547 1.00 0.00 H new ATOM 0 HA3 GLY B 42 6.546 -1.061 -6.850 1.00 0.00 H new ATOM 1992 N ASP B 43 8.265 -0.099 -4.396 1.00 0.00 N ATOM 1993 CA ASP B 43 8.565 -0.268 -2.974 1.00 0.00 C ATOM 1994 C ASP B 43 7.664 0.618 -2.117 1.00 0.00 C ATOM 1995 O ASP B 43 7.348 1.747 -2.498 1.00 0.00 O ATOM 1996 CB ASP B 43 10.040 0.057 -2.694 1.00 0.00 C ATOM 1997 CG ASP B 43 10.922 -1.179 -2.591 1.00 0.00 C ATOM 1998 OD1 ASP B 43 10.409 -2.309 -2.744 1.00 0.00 O ATOM 1999 OD2 ASP B 43 12.136 -1.014 -2.358 1.00 0.00 O ATOM 0 H ASP B 43 9.058 0.209 -4.959 1.00 0.00 H new ATOM 0 HA ASP B 43 8.376 -1.309 -2.712 1.00 0.00 H new ATOM 0 HB2 ASP B 43 10.420 0.700 -3.488 1.00 0.00 H new ATOM 0 HB3 ASP B 43 10.110 0.623 -1.765 1.00 0.00 H new ATOM 2004 N VAL B 44 7.249 0.097 -0.963 1.00 0.00 N ATOM 2005 CA VAL B 44 6.382 0.839 -0.051 1.00 0.00 C ATOM 2006 C VAL B 44 7.163 1.317 1.172 1.00 0.00 C ATOM 2007 O VAL B 44 7.382 0.556 2.117 1.00 0.00 O ATOM 2008 CB VAL B 44 5.182 -0.020 0.411 1.00 0.00 C ATOM 2009 CG1 VAL B 44 4.199 0.821 1.210 1.00 0.00 C ATOM 2010 CG2 VAL B 44 4.489 -0.669 -0.780 1.00 0.00 C ATOM 0 H VAL B 44 7.500 -0.837 -0.638 1.00 0.00 H new ATOM 0 HA VAL B 44 6.004 1.703 -0.598 1.00 0.00 H new ATOM 0 HB VAL B 44 5.560 -0.813 1.056 1.00 0.00 H new ATOM 0 HG11 VAL B 44 3.361 0.199 1.526 1.00 0.00 H new ATOM 0 HG12 VAL B 44 4.699 1.230 2.088 1.00 0.00 H new ATOM 0 HG13 VAL B 44 3.830 1.638 0.589 1.00 0.00 H new ATOM 0 HG21 VAL B 44 3.648 -1.268 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL B 44 4.126 0.105 -1.456 1.00 0.00 H new ATOM 0 HG23 VAL B 44 5.196 -1.309 -1.308 1.00 0.00 H new ATOM 2020 N VAL B 45 7.585 2.582 1.142 1.00 0.00 N ATOM 2021 CA VAL B 45 8.346 3.166 2.244 1.00 0.00 C ATOM 2022 C VAL B 45 7.425 3.591 3.385 1.00 0.00 C ATOM 2023 O VAL B 45 6.780 4.640 3.321 1.00 0.00 O ATOM 2024 CB VAL B 45 9.173 4.384 1.780 1.00 0.00 C ATOM 2025 CG1 VAL B 45 10.088 4.867 2.896 1.00 0.00 C ATOM 2026 CG2 VAL B 45 9.974 4.047 0.529 1.00 0.00 C ATOM 0 H VAL B 45 7.412 3.221 0.366 1.00 0.00 H new ATOM 0 HA VAL B 45 9.027 2.393 2.600 1.00 0.00 H new ATOM 0 HB VAL B 45 8.484 5.191 1.532 1.00 0.00 H new ATOM 0 HG11 VAL B 45 10.663 5.726 2.549 1.00 0.00 H new ATOM 0 HG12 VAL B 45 9.488 5.156 3.759 1.00 0.00 H new ATOM 0 HG13 VAL B 45 10.770 4.065 3.180 1.00 0.00 H new ATOM 0 HG21 VAL B 45 10.549 4.919 0.219 1.00 0.00 H new ATOM 0 HG22 VAL B 45 10.653 3.222 0.743 1.00 0.00 H new ATOM 0 HG23 VAL B 45 9.293 3.758 -0.272 1.00 0.00 H new ATOM 2036 N LEU B 46 7.372 2.768 4.429 1.00 0.00 N ATOM 2037 CA LEU B 46 6.532 3.051 5.590 1.00 0.00 C ATOM 2038 C LEU B 46 7.179 4.086 6.517 1.00 0.00 C ATOM 2039 O LEU B 46 6.477 4.856 7.177 1.00 0.00 O ATOM 2040 CB LEU B 46 6.233 1.758 6.358 1.00 0.00 C ATOM 2041 CG LEU B 46 7.421 1.140 7.105 1.00 0.00 C ATOM 2042 CD1 LEU B 46 6.981 0.619 8.464 1.00 0.00 C ATOM 2043 CD2 LEU B 46 8.048 0.023 6.283 1.00 0.00 C ATOM 0 H LEU B 46 7.901 1.899 4.495 1.00 0.00 H new ATOM 0 HA LEU B 46 5.595 3.473 5.227 1.00 0.00 H new ATOM 0 HB2 LEU B 46 5.440 1.960 7.078 1.00 0.00 H new ATOM 0 HB3 LEU B 46 5.846 1.021 5.655 1.00 0.00 H new ATOM 0 HG LEU B 46 8.172 1.915 7.259 1.00 0.00 H new ATOM 0 HD11 LEU B 46 7.836 0.184 8.981 1.00 0.00 H new ATOM 0 HD12 LEU B 46 6.579 1.441 9.056 1.00 0.00 H new ATOM 0 HD13 LEU B 46 6.212 -0.142 8.330 1.00 0.00 H new ATOM 0 HD21 LEU B 46 8.889 -0.403 6.830 1.00 0.00 H new ATOM 0 HD22 LEU B 46 7.305 -0.753 6.097 1.00 0.00 H new ATOM 0 HD23 LEU B 46 8.399 0.424 5.332 1.00 0.00 H new ATOM 2055 N LYS B 47 8.515 4.102 6.565 1.00 0.00 N ATOM 2056 CA LYS B 47 9.238 5.046 7.415 1.00 0.00 C ATOM 2057 C LYS B 47 10.469 5.603 6.701 1.00 0.00 C ATOM 2058 O LYS B 47 11.002 4.979 5.784 1.00 0.00 O ATOM 2059 CB LYS B 47 9.661 4.377 8.726 1.00 0.00 C ATOM 2060 CG LYS B 47 8.548 4.302 9.763 1.00 0.00 C ATOM 2061 CD LYS B 47 8.597 2.998 10.545 1.00 0.00 C ATOM 2062 CE LYS B 47 8.234 3.202 12.008 1.00 0.00 C ATOM 2063 NZ LYS B 47 8.966 2.259 12.902 1.00 0.00 N ATOM 0 H LYS B 47 9.113 3.474 6.027 1.00 0.00 H new ATOM 0 HA LYS B 47 8.563 5.872 7.637 1.00 0.00 H new ATOM 0 HB2 LYS B 47 10.014 3.368 8.511 1.00 0.00 H new ATOM 0 HB3 LYS B 47 10.503 4.926 9.149 1.00 0.00 H new ATOM 0 HG2 LYS B 47 8.634 5.143 10.451 1.00 0.00 H new ATOM 0 HG3 LYS B 47 7.582 4.393 9.267 1.00 0.00 H new ATOM 0 HD2 LYS B 47 7.910 2.280 10.097 1.00 0.00 H new ATOM 0 HD3 LYS B 47 9.597 2.570 10.475 1.00 0.00 H new ATOM 0 HE2 LYS B 47 8.462 4.228 12.298 1.00 0.00 H new ATOM 0 HE3 LYS B 47 7.160 3.065 12.138 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 8.690 2.432 13.890 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 8.729 1.280 12.642 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 9.990 2.407 12.798 1.00 0.00 H new ATOM 2077 N ILE B 48 10.916 6.781 7.137 1.00 0.00 N ATOM 2078 CA ILE B 48 12.087 7.427 6.553 1.00 0.00 C ATOM 2079 C ILE B 48 12.914 8.118 7.634 1.00 0.00 C ATOM 2080 O ILE B 48 12.413 8.987 8.352 1.00 0.00 O ATOM 2081 CB ILE B 48 11.693 8.459 5.471 1.00 0.00 C ATOM 2082 CG1 ILE B 48 10.706 7.843 4.474 1.00 0.00 C ATOM 2083 CG2 ILE B 48 12.932 8.971 4.742 1.00 0.00 C ATOM 2084 CD1 ILE B 48 10.221 8.813 3.419 1.00 0.00 C ATOM 0 H ILE B 48 10.482 7.307 7.895 1.00 0.00 H new ATOM 0 HA ILE B 48 12.682 6.645 6.081 1.00 0.00 H new ATOM 0 HB ILE B 48 11.208 9.302 5.963 1.00 0.00 H new ATOM 0 HG12 ILE B 48 11.182 6.994 3.983 1.00 0.00 H new ATOM 0 HG13 ILE B 48 9.846 7.455 5.020 1.00 0.00 H new ATOM 0 HG21 ILE B 48 12.635 9.696 3.984 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.604 9.447 5.456 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.444 8.136 4.264 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.526 8.305 2.750 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.716 9.651 3.900 1.00 0.00 H new ATOM 0 HD13 ILE B 48 11.071 9.183 2.846 1.00 0.00 H new ATOM 2096 N ASN B 49 14.182 7.718 7.745 1.00 0.00 N ATOM 2097 CA ASN B 49 15.099 8.280 8.737 1.00 0.00 C ATOM 2098 C ASN B 49 14.589 8.047 10.162 1.00 0.00 C ATOM 2099 O ASN B 49 14.792 8.880 11.047 1.00 0.00 O ATOM 2100 CB ASN B 49 15.310 9.778 8.485 1.00 0.00 C ATOM 2101 CG ASN B 49 16.779 10.135 8.339 1.00 0.00 C ATOM 2102 OD1 ASN B 49 17.637 9.562 9.010 1.00 0.00 O ATOM 2103 ND2 ASN B 49 17.077 11.084 7.458 1.00 0.00 N ATOM 0 H ASN B 49 14.600 7.000 7.153 1.00 0.00 H new ATOM 0 HA ASN B 49 16.056 7.768 8.634 1.00 0.00 H new ATOM 0 HB2 ASN B 49 14.775 10.071 7.582 1.00 0.00 H new ATOM 0 HB3 ASN B 49 14.880 10.347 9.309 1.00 0.00 H new ATOM 0 HD21 ASN B 49 18.048 11.363 7.318 1.00 0.00 H new ATOM 0 HD22 ASN B 49 16.335 11.534 6.922 1.00 0.00 H new ATOM 2110 N GLY B 50 13.926 6.908 10.377 1.00 0.00 N ATOM 2111 CA GLY B 50 13.397 6.593 11.693 1.00 0.00 C ATOM 2112 C GLY B 50 12.119 7.355 12.009 1.00 0.00 C ATOM 2113 O GLY B 50 11.799 7.578 13.178 1.00 0.00 O ATOM 0 H GLY B 50 13.748 6.201 9.663 1.00 0.00 H new ATOM 0 HA2 GLY B 50 13.202 5.522 11.755 1.00 0.00 H new ATOM 0 HA3 GLY B 50 14.149 6.824 12.447 1.00 0.00 H new ATOM 2117 N THR B 51 11.389 7.758 10.967 1.00 0.00 N ATOM 2118 CA THR B 51 10.143 8.500 11.138 1.00 0.00 C ATOM 2119 C THR B 51 9.039 7.891 10.280 1.00 0.00 C ATOM 2120 O THR B 51 9.276 7.500 9.136 1.00 0.00 O ATOM 2121 CB THR B 51 10.346 9.974 10.768 1.00 0.00 C ATOM 2122 OG1 THR B 51 11.571 10.462 11.293 1.00 0.00 O ATOM 2123 CG2 THR B 51 9.241 10.880 11.273 1.00 0.00 C ATOM 0 H THR B 51 11.642 7.581 9.995 1.00 0.00 H new ATOM 0 HA THR B 51 9.845 8.439 12.185 1.00 0.00 H new ATOM 0 HB THR B 51 10.344 9.997 9.678 1.00 0.00 H new ATOM 0 HG1 THR B 51 11.682 11.403 11.044 1.00 0.00 H new ATOM 0 HG21 THR B 51 9.449 11.908 10.976 1.00 0.00 H new ATOM 0 HG22 THR B 51 8.289 10.564 10.847 1.00 0.00 H new ATOM 0 HG23 THR B 51 9.190 10.820 12.360 1.00 0.00 H new ATOM 2131 N VAL B 52 7.832 7.813 10.838 1.00 0.00 N ATOM 2132 CA VAL B 52 6.690 7.247 10.122 1.00 0.00 C ATOM 2133 C VAL B 52 6.259 8.161 8.977 1.00 0.00 C ATOM 2134 O VAL B 52 6.152 9.375 9.150 1.00 0.00 O ATOM 2135 CB VAL B 52 5.482 7.011 11.055 1.00 0.00 C ATOM 2136 CG1 VAL B 52 4.366 6.291 10.308 1.00 0.00 C ATOM 2137 CG2 VAL B 52 5.897 6.225 12.294 1.00 0.00 C ATOM 0 H VAL B 52 7.620 8.134 11.783 1.00 0.00 H new ATOM 0 HA VAL B 52 7.017 6.286 9.725 1.00 0.00 H new ATOM 0 HB VAL B 52 5.108 7.981 11.382 1.00 0.00 H new ATOM 0 HG11 VAL B 52 3.522 6.132 10.979 1.00 0.00 H new ATOM 0 HG12 VAL B 52 4.046 6.897 9.460 1.00 0.00 H new ATOM 0 HG13 VAL B 52 4.730 5.328 9.949 1.00 0.00 H new ATOM 0 HG21 VAL B 52 5.029 6.072 12.935 1.00 0.00 H new ATOM 0 HG22 VAL B 52 6.301 5.258 11.993 1.00 0.00 H new ATOM 0 HG23 VAL B 52 6.658 6.782 12.840 1.00 0.00 H new ATOM 2147 N THR B 53 6.009 7.566 7.814 1.00 0.00 N ATOM 2148 CA THR B 53 5.579 8.320 6.637 1.00 0.00 C ATOM 2149 C THR B 53 4.225 7.820 6.144 1.00 0.00 C ATOM 2150 O THR B 53 4.022 7.610 4.948 1.00 0.00 O ATOM 2151 CB THR B 53 6.630 8.224 5.522 1.00 0.00 C ATOM 2152 OG1 THR B 53 7.939 8.134 6.064 1.00 0.00 O ATOM 2153 CG2 THR B 53 6.605 9.409 4.581 1.00 0.00 C ATOM 0 H THR B 53 6.097 6.562 7.660 1.00 0.00 H new ATOM 0 HA THR B 53 5.474 9.367 6.920 1.00 0.00 H new ATOM 0 HB THR B 53 6.376 7.324 4.962 1.00 0.00 H new ATOM 0 HG1 THR B 53 8.476 8.890 5.748 1.00 0.00 H new ATOM 0 HG21 THR B 53 7.371 9.282 3.816 1.00 0.00 H new ATOM 0 HG22 THR B 53 5.626 9.477 4.107 1.00 0.00 H new ATOM 0 HG23 THR B 53 6.801 10.323 5.142 1.00 0.00 H new ATOM 2161 N GLU B 54 3.295 7.647 7.080 1.00 0.00 N ATOM 2162 CA GLU B 54 1.952 7.193 6.754 1.00 0.00 C ATOM 2163 C GLU B 54 0.934 8.250 7.153 1.00 0.00 C ATOM 2164 O GLU B 54 1.099 8.926 8.171 1.00 0.00 O ATOM 2165 CB GLU B 54 1.635 5.872 7.451 1.00 0.00 C ATOM 2166 CG GLU B 54 1.110 4.804 6.509 1.00 0.00 C ATOM 2167 CD GLU B 54 1.775 3.460 6.731 1.00 0.00 C ATOM 2168 OE1 GLU B 54 2.923 3.282 6.272 1.00 0.00 O ATOM 2169 OE2 GLU B 54 1.144 2.584 7.361 1.00 0.00 O ATOM 0 H GLU B 54 3.451 7.816 8.074 1.00 0.00 H new ATOM 0 HA GLU B 54 1.899 7.031 5.677 1.00 0.00 H new ATOM 0 HB2 GLU B 54 2.536 5.503 7.941 1.00 0.00 H new ATOM 0 HB3 GLU B 54 0.897 6.050 8.233 1.00 0.00 H new ATOM 0 HG2 GLU B 54 0.034 4.701 6.645 1.00 0.00 H new ATOM 0 HG3 GLU B 54 1.272 5.121 5.479 1.00 0.00 H new ATOM 2176 N ASN B 55 -0.108 8.395 6.336 1.00 0.00 N ATOM 2177 CA ASN B 55 -1.162 9.381 6.582 1.00 0.00 C ATOM 2178 C ASN B 55 -0.650 10.817 6.385 1.00 0.00 C ATOM 2179 O ASN B 55 -1.375 11.776 6.661 1.00 0.00 O ATOM 2180 CB ASN B 55 -1.747 9.222 7.993 1.00 0.00 C ATOM 2181 CG ASN B 55 -1.860 7.770 8.428 1.00 0.00 C ATOM 2182 OD1 ASN B 55 -2.336 6.920 7.677 1.00 0.00 O ATOM 2183 ND2 ASN B 55 -1.417 7.477 9.647 1.00 0.00 N ATOM 0 H ASN B 55 -0.246 7.839 5.492 1.00 0.00 H new ATOM 0 HA ASN B 55 -1.950 9.197 5.852 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -1.120 9.761 8.703 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -2.734 9.683 8.025 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -1.465 6.518 9.990 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -1.029 8.212 10.239 1.00 0.00 H new ATOM 2190 N MET B 56 0.592 10.973 5.907 1.00 0.00 N ATOM 2191 CA MET B 56 1.160 12.299 5.683 1.00 0.00 C ATOM 2192 C MET B 56 0.959 12.740 4.235 1.00 0.00 C ATOM 2193 O MET B 56 0.748 11.911 3.347 1.00 0.00 O ATOM 2194 CB MET B 56 2.648 12.309 6.029 1.00 0.00 C ATOM 2195 CG MET B 56 3.044 13.432 6.974 1.00 0.00 C ATOM 2196 SD MET B 56 3.174 12.885 8.686 1.00 0.00 S ATOM 2197 CE MET B 56 4.354 11.552 8.520 1.00 0.00 C ATOM 0 H MET B 56 1.215 10.200 5.671 1.00 0.00 H new ATOM 0 HA MET B 56 0.640 13.002 6.335 1.00 0.00 H new ATOM 0 HB2 MET B 56 2.914 11.354 6.481 1.00 0.00 H new ATOM 0 HB3 MET B 56 3.226 12.398 5.109 1.00 0.00 H new ATOM 0 HG2 MET B 56 4.000 13.849 6.656 1.00 0.00 H new ATOM 0 HG3 MET B 56 2.309 14.234 6.908 1.00 0.00 H new ATOM 0 HE1 MET B 56 4.981 11.508 9.410 1.00 0.00 H new ATOM 0 HE2 MET B 56 3.822 10.608 8.404 1.00 0.00 H new ATOM 0 HE3 MET B 56 4.979 11.726 7.644 1.00 0.00 H new ATOM 2207 N SER B 57 1.035 14.051 4.006 1.00 0.00 N ATOM 2208 CA SER B 57 0.871 14.612 2.666 1.00 0.00 C ATOM 2209 C SER B 57 2.009 14.170 1.750 1.00 0.00 C ATOM 2210 O SER B 57 3.124 13.922 2.210 1.00 0.00 O ATOM 2211 CB SER B 57 0.818 16.142 2.734 1.00 0.00 C ATOM 2212 OG SER B 57 0.031 16.578 3.829 1.00 0.00 O ATOM 0 H SER B 57 1.209 14.745 4.733 1.00 0.00 H new ATOM 0 HA SER B 57 -0.068 14.241 2.255 1.00 0.00 H new ATOM 0 HB2 SER B 57 1.828 16.540 2.827 1.00 0.00 H new ATOM 0 HB3 SER B 57 0.405 16.536 1.806 1.00 0.00 H new ATOM 0 HG SER B 57 0.015 17.558 3.851 1.00 0.00 H new ATOM 2218 N LEU B 58 1.724 14.087 0.449 1.00 0.00 N ATOM 2219 CA LEU B 58 2.737 13.690 -0.529 1.00 0.00 C ATOM 2220 C LEU B 58 3.958 14.602 -0.431 1.00 0.00 C ATOM 2221 O LEU B 58 5.087 14.176 -0.687 1.00 0.00 O ATOM 2222 CB LEU B 58 2.165 13.739 -1.950 1.00 0.00 C ATOM 2223 CG LEU B 58 3.171 13.442 -3.067 1.00 0.00 C ATOM 2224 CD1 LEU B 58 3.603 11.983 -3.029 1.00 0.00 C ATOM 2225 CD2 LEU B 58 2.583 13.793 -4.427 1.00 0.00 C ATOM 0 H LEU B 58 0.807 14.288 0.051 1.00 0.00 H new ATOM 0 HA LEU B 58 3.039 12.666 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU B 58 1.346 13.023 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU B 58 1.739 14.728 -2.120 1.00 0.00 H new ATOM 0 HG LEU B 58 4.052 14.062 -2.905 1.00 0.00 H new ATOM 0 HD11 LEU B 58 4.317 11.794 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU B 58 4.070 11.767 -2.068 1.00 0.00 H new ATOM 0 HD13 LEU B 58 2.731 11.342 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU B 58 3.313 13.575 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU B 58 1.683 13.203 -4.598 1.00 0.00 H new ATOM 0 HD23 LEU B 58 2.332 14.853 -4.452 1.00 0.00 H new ATOM 2237 N THR B 59 3.719 15.860 -0.054 1.00 0.00 N ATOM 2238 CA THR B 59 4.792 16.836 0.086 1.00 0.00 C ATOM 2239 C THR B 59 5.654 16.523 1.308 1.00 0.00 C ATOM 2240 O THR B 59 6.873 16.667 1.261 1.00 0.00 O ATOM 2241 CB THR B 59 4.224 18.254 0.203 1.00 0.00 C ATOM 2242 OG1 THR B 59 2.873 18.308 -0.235 1.00 0.00 O ATOM 2243 CG2 THR B 59 5.008 19.278 -0.588 1.00 0.00 C ATOM 0 H THR B 59 2.790 16.223 0.159 1.00 0.00 H new ATOM 0 HA THR B 59 5.414 16.778 -0.807 1.00 0.00 H new ATOM 0 HB THR B 59 4.296 18.500 1.262 1.00 0.00 H new ATOM 0 HG1 THR B 59 2.537 19.224 -0.147 1.00 0.00 H new ATOM 0 HG21 THR B 59 4.553 20.261 -0.462 1.00 0.00 H new ATOM 0 HG22 THR B 59 6.037 19.305 -0.229 1.00 0.00 H new ATOM 0 HG23 THR B 59 4.999 19.007 -1.644 1.00 0.00 H new ATOM 2251 N ASP B 60 5.017 16.083 2.397 1.00 0.00 N ATOM 2252 CA ASP B 60 5.739 15.738 3.620 1.00 0.00 C ATOM 2253 C ASP B 60 6.831 14.715 3.318 1.00 0.00 C ATOM 2254 O ASP B 60 7.951 14.824 3.817 1.00 0.00 O ATOM 2255 CB ASP B 60 4.778 15.183 4.672 1.00 0.00 C ATOM 2256 CG ASP B 60 4.209 16.269 5.564 1.00 0.00 C ATOM 2257 OD1 ASP B 60 3.318 17.012 5.100 1.00 0.00 O ATOM 2258 OD2 ASP B 60 4.652 16.373 6.728 1.00 0.00 O ATOM 0 H ASP B 60 4.006 15.958 2.455 1.00 0.00 H new ATOM 0 HA ASP B 60 6.201 16.643 4.014 1.00 0.00 H new ATOM 0 HB2 ASP B 60 3.961 14.660 4.174 1.00 0.00 H new ATOM 0 HB3 ASP B 60 5.300 14.449 5.286 1.00 0.00 H new ATOM 2263 N ALA B 61 6.500 13.734 2.475 1.00 0.00 N ATOM 2264 CA ALA B 61 7.459 12.707 2.082 1.00 0.00 C ATOM 2265 C ALA B 61 8.631 13.337 1.332 1.00 0.00 C ATOM 2266 O ALA B 61 9.781 12.929 1.503 1.00 0.00 O ATOM 2267 CB ALA B 61 6.787 11.650 1.218 1.00 0.00 C ATOM 0 H ALA B 61 5.577 13.632 2.054 1.00 0.00 H new ATOM 0 HA ALA B 61 7.838 12.225 2.984 1.00 0.00 H new ATOM 0 HB1 ALA B 61 7.518 10.893 0.935 1.00 0.00 H new ATOM 0 HB2 ALA B 61 5.978 11.182 1.779 1.00 0.00 H new ATOM 0 HB3 ALA B 61 6.382 12.117 0.320 1.00 0.00 H new ATOM 2273 N LYS B 62 8.327 14.347 0.510 1.00 0.00 N ATOM 2274 CA LYS B 62 9.348 15.054 -0.259 1.00 0.00 C ATOM 2275 C LYS B 62 10.302 15.808 0.671 1.00 0.00 C ATOM 2276 O LYS B 62 11.487 15.961 0.368 1.00 0.00 O ATOM 2277 CB LYS B 62 8.684 16.012 -1.266 1.00 0.00 C ATOM 2278 CG LYS B 62 8.593 17.469 -0.815 1.00 0.00 C ATOM 2279 CD LYS B 62 9.693 18.318 -1.434 1.00 0.00 C ATOM 2280 CE LYS B 62 9.183 19.105 -2.633 1.00 0.00 C ATOM 2281 NZ LYS B 62 8.868 20.520 -2.285 1.00 0.00 N ATOM 0 H LYS B 62 7.378 14.691 0.362 1.00 0.00 H new ATOM 0 HA LYS B 62 9.935 14.324 -0.815 1.00 0.00 H new ATOM 0 HB2 LYS B 62 9.241 15.972 -2.202 1.00 0.00 H new ATOM 0 HB3 LYS B 62 7.678 15.650 -1.478 1.00 0.00 H new ATOM 0 HG2 LYS B 62 7.620 17.876 -1.091 1.00 0.00 H new ATOM 0 HG3 LYS B 62 8.662 17.519 0.272 1.00 0.00 H new ATOM 0 HD2 LYS B 62 10.087 19.007 -0.686 1.00 0.00 H new ATOM 0 HD3 LYS B 62 10.519 17.677 -1.743 1.00 0.00 H new ATOM 0 HE2 LYS B 62 9.933 19.085 -3.424 1.00 0.00 H new ATOM 0 HE3 LYS B 62 8.289 18.622 -3.029 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 8.524 21.017 -3.131 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 8.134 20.541 -1.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 9.726 20.990 -1.932 1.00 0.00 H new ATOM 2295 N THR B 63 9.774 16.272 1.805 1.00 0.00 N ATOM 2296 CA THR B 63 10.567 17.008 2.788 1.00 0.00 C ATOM 2297 C THR B 63 11.621 16.108 3.426 1.00 0.00 C ATOM 2298 O THR B 63 12.772 16.513 3.582 1.00 0.00 O ATOM 2299 CB THR B 63 9.666 17.591 3.872 1.00 0.00 C ATOM 2300 OG1 THR B 63 8.395 17.933 3.347 1.00 0.00 O ATOM 2301 CG2 THR B 63 10.237 18.829 4.526 1.00 0.00 C ATOM 0 H THR B 63 8.795 16.150 2.065 1.00 0.00 H new ATOM 0 HA THR B 63 11.073 17.821 2.266 1.00 0.00 H new ATOM 0 HB THR B 63 9.583 16.806 4.623 1.00 0.00 H new ATOM 0 HG1 THR B 63 7.835 18.303 4.061 1.00 0.00 H new ATOM 0 HG21 THR B 63 9.545 19.191 5.287 1.00 0.00 H new ATOM 0 HG22 THR B 63 11.193 18.587 4.991 1.00 0.00 H new ATOM 0 HG23 THR B 63 10.385 19.603 3.773 1.00 0.00 H new ATOM 2309 N LEU B 64 11.225 14.885 3.791 1.00 0.00 N ATOM 2310 CA LEU B 64 12.152 13.934 4.404 1.00 0.00 C ATOM 2311 C LEU B 64 13.370 13.729 3.507 1.00 0.00 C ATOM 2312 O LEU B 64 14.497 13.608 3.991 1.00 0.00 O ATOM 2313 CB LEU B 64 11.458 12.595 4.661 1.00 0.00 C ATOM 2314 CG LEU B 64 10.799 12.461 6.037 1.00 0.00 C ATOM 2315 CD1 LEU B 64 9.500 11.676 5.936 1.00 0.00 C ATOM 2316 CD2 LEU B 64 11.755 11.802 7.023 1.00 0.00 C ATOM 0 H LEU B 64 10.275 14.533 3.673 1.00 0.00 H new ATOM 0 HA LEU B 64 12.482 14.343 5.359 1.00 0.00 H new ATOM 0 HB2 LEU B 64 10.698 12.444 3.895 1.00 0.00 H new ATOM 0 HB3 LEU B 64 12.190 11.796 4.546 1.00 0.00 H new ATOM 0 HG LEU B 64 10.563 13.459 6.405 1.00 0.00 H new ATOM 0 HD11 LEU B 64 9.048 11.592 6.924 1.00 0.00 H new ATOM 0 HD12 LEU B 64 8.814 12.193 5.266 1.00 0.00 H new ATOM 0 HD13 LEU B 64 9.707 10.679 5.546 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.271 11.714 7.996 1.00 0.00 H new ATOM 0 HD22 LEU B 64 12.024 10.810 6.661 1.00 0.00 H new ATOM 0 HD23 LEU B 64 12.655 12.410 7.119 1.00 0.00 H new ATOM 2328 N ILE B 65 13.135 13.713 2.195 1.00 0.00 N ATOM 2329 CA ILE B 65 14.210 13.549 1.227 1.00 0.00 C ATOM 2330 C ILE B 65 15.085 14.802 1.177 1.00 0.00 C ATOM 2331 O ILE B 65 16.291 14.715 0.933 1.00 0.00 O ATOM 2332 CB ILE B 65 13.664 13.251 -0.188 1.00 0.00 C ATOM 2333 CG1 ILE B 65 12.649 12.104 -0.140 1.00 0.00 C ATOM 2334 CG2 ILE B 65 14.808 12.913 -1.135 1.00 0.00 C ATOM 2335 CD1 ILE B 65 11.887 11.911 -1.434 1.00 0.00 C ATOM 0 H ILE B 65 12.208 13.812 1.782 1.00 0.00 H new ATOM 0 HA ILE B 65 14.808 12.698 1.553 1.00 0.00 H new ATOM 0 HB ILE B 65 13.158 14.142 -0.560 1.00 0.00 H new ATOM 0 HG12 ILE B 65 13.171 11.179 0.106 1.00 0.00 H new ATOM 0 HG13 ILE B 65 11.939 12.293 0.665 1.00 0.00 H new ATOM 0 HG21 ILE B 65 14.409 12.705 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE B 65 15.496 13.756 -1.190 1.00 0.00 H new ATOM 0 HG23 ILE B 65 15.338 12.035 -0.766 1.00 0.00 H new ATOM 0 HD11 ILE B 65 11.188 11.082 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE B 65 11.336 12.821 -1.671 1.00 0.00 H new ATOM 0 HD13 ILE B 65 12.588 11.690 -2.239 1.00 0.00 H new ATOM 2347 N GLU B 66 14.475 15.966 1.425 1.00 0.00 N ATOM 2348 CA GLU B 66 15.206 17.231 1.417 1.00 0.00 C ATOM 2349 C GLU B 66 16.027 17.390 2.696 1.00 0.00 C ATOM 2350 O GLU B 66 17.172 17.837 2.654 1.00 0.00 O ATOM 2351 CB GLU B 66 14.239 18.408 1.270 1.00 0.00 C ATOM 2352 CG GLU B 66 14.575 19.330 0.106 1.00 0.00 C ATOM 2353 CD GLU B 66 13.991 20.723 0.265 1.00 0.00 C ATOM 2354 OE1 GLU B 66 12.806 20.834 0.648 1.00 0.00 O ATOM 2355 OE2 GLU B 66 14.719 21.703 0.003 1.00 0.00 O ATOM 0 H GLU B 66 13.480 16.055 1.633 1.00 0.00 H new ATOM 0 HA GLU B 66 15.885 17.223 0.565 1.00 0.00 H new ATOM 0 HB2 GLU B 66 13.228 18.023 1.137 1.00 0.00 H new ATOM 0 HB3 GLU B 66 14.241 18.987 2.194 1.00 0.00 H new ATOM 0 HG2 GLU B 66 15.658 19.405 0.010 1.00 0.00 H new ATOM 0 HG3 GLU B 66 14.203 18.889 -0.819 1.00 0.00 H new ATOM 2362 N ARG B 67 15.430 17.017 3.830 1.00 0.00 N ATOM 2363 CA ARG B 67 16.102 17.112 5.126 1.00 0.00 C ATOM 2364 C ARG B 67 17.388 16.281 5.153 1.00 0.00 C ATOM 2365 O ARG B 67 18.315 16.599 5.898 1.00 0.00 O ATOM 2366 CB ARG B 67 15.164 16.659 6.250 1.00 0.00 C ATOM 2367 CG ARG B 67 15.559 17.180 7.625 1.00 0.00 C ATOM 2368 CD ARG B 67 14.619 16.670 8.709 1.00 0.00 C ATOM 2369 NE ARG B 67 14.377 17.675 9.748 1.00 0.00 N ATOM 2370 CZ ARG B 67 13.669 17.447 10.859 1.00 0.00 C ATOM 2371 NH1 ARG B 67 13.129 16.251 11.085 1.00 0.00 N ATOM 2372 NH2 ARG B 67 13.498 18.421 11.746 1.00 0.00 N ATOM 0 H ARG B 67 14.481 16.646 3.876 1.00 0.00 H new ATOM 0 HA ARG B 67 16.370 18.157 5.282 1.00 0.00 H new ATOM 0 HB2 ARG B 67 14.151 16.992 6.022 1.00 0.00 H new ATOM 0 HB3 ARG B 67 15.143 15.570 6.276 1.00 0.00 H new ATOM 0 HG2 ARG B 67 16.579 16.871 7.852 1.00 0.00 H new ATOM 0 HG3 ARG B 67 15.550 18.270 7.618 1.00 0.00 H new ATOM 0 HD2 ARG B 67 13.670 16.380 8.258 1.00 0.00 H new ATOM 0 HD3 ARG B 67 15.043 15.774 9.163 1.00 0.00 H new ATOM 0 HE ARG B 67 14.773 18.606 9.615 1.00 0.00 H new ATOM 0 HH11 ARG B 67 13.254 15.499 10.407 1.00 0.00 H new ATOM 0 HH12 ARG B 67 12.591 16.087 11.936 1.00 0.00 H new ATOM 0 HH21 ARG B 67 13.906 19.341 11.579 1.00 0.00 H new ATOM 0 HH22 ARG B 67 12.958 18.249 12.594 1.00 0.00 H new ATOM 2386 N SER B 68 17.442 15.220 4.339 1.00 0.00 N ATOM 2387 CA SER B 68 18.622 14.356 4.276 1.00 0.00 C ATOM 2388 C SER B 68 19.893 15.171 4.020 1.00 0.00 C ATOM 2389 O SER B 68 20.051 15.773 2.958 1.00 0.00 O ATOM 2390 CB SER B 68 18.458 13.303 3.179 1.00 0.00 C ATOM 2391 OG SER B 68 19.489 12.331 3.251 1.00 0.00 O ATOM 0 H SER B 68 16.683 14.941 3.717 1.00 0.00 H new ATOM 0 HA SER B 68 18.718 13.858 5.241 1.00 0.00 H new ATOM 0 HB2 SER B 68 17.487 12.817 3.278 1.00 0.00 H new ATOM 0 HB3 SER B 68 18.475 13.785 2.201 1.00 0.00 H new ATOM 0 HG SER B 68 19.994 12.326 2.411 1.00 0.00 H new ATOM 2397 N LYS B 69 20.797 15.181 5.003 1.00 0.00 N ATOM 2398 CA LYS B 69 22.056 15.918 4.887 1.00 0.00 C ATOM 2399 C LYS B 69 23.191 15.011 4.393 1.00 0.00 C ATOM 2400 O LYS B 69 24.345 15.169 4.801 1.00 0.00 O ATOM 2401 CB LYS B 69 22.432 16.533 6.242 1.00 0.00 C ATOM 2402 CG LYS B 69 22.206 18.036 6.322 1.00 0.00 C ATOM 2403 CD LYS B 69 20.742 18.371 6.556 1.00 0.00 C ATOM 2404 CE LYS B 69 20.241 17.805 7.879 1.00 0.00 C ATOM 2405 NZ LYS B 69 19.164 18.646 8.474 1.00 0.00 N ATOM 0 H LYS B 69 20.680 14.687 5.888 1.00 0.00 H new ATOM 0 HA LYS B 69 21.914 16.712 4.154 1.00 0.00 H new ATOM 0 HB2 LYS B 69 21.850 16.046 7.025 1.00 0.00 H new ATOM 0 HB3 LYS B 69 23.482 16.322 6.447 1.00 0.00 H new ATOM 0 HG2 LYS B 69 22.808 18.452 7.129 1.00 0.00 H new ATOM 0 HG3 LYS B 69 22.544 18.505 5.398 1.00 0.00 H new ATOM 0 HD2 LYS B 69 20.610 19.453 6.549 1.00 0.00 H new ATOM 0 HD3 LYS B 69 20.142 17.972 5.738 1.00 0.00 H new ATOM 0 HE2 LYS B 69 19.866 16.794 7.722 1.00 0.00 H new ATOM 0 HE3 LYS B 69 21.072 17.731 8.580 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 18.852 18.226 9.373 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 19.528 19.604 8.648 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 18.359 18.696 7.817 1.00 0.00 H new ATOM 2419 N GLY B 70 22.861 14.062 3.513 1.00 0.00 N ATOM 2420 CA GLY B 70 23.865 13.153 2.986 1.00 0.00 C ATOM 2421 C GLY B 70 23.415 11.706 3.023 1.00 0.00 C ATOM 2422 O GLY B 70 23.235 11.080 1.978 1.00 0.00 O ATOM 0 H GLY B 70 21.917 13.909 3.158 1.00 0.00 H new ATOM 0 HA2 GLY B 70 24.099 13.431 1.958 1.00 0.00 H new ATOM 0 HA3 GLY B 70 24.784 13.259 3.562 1.00 0.00 H new ATOM 2426 N LYS B 71 23.233 11.172 4.229 1.00 0.00 N ATOM 2427 CA LYS B 71 22.800 9.789 4.398 1.00 0.00 C ATOM 2428 C LYS B 71 21.277 9.702 4.490 1.00 0.00 C ATOM 2429 O LYS B 71 20.675 10.199 5.444 1.00 0.00 O ATOM 2430 CB LYS B 71 23.437 9.179 5.650 1.00 0.00 C ATOM 2431 CG LYS B 71 24.960 9.172 5.621 1.00 0.00 C ATOM 2432 CD LYS B 71 25.521 7.844 6.108 1.00 0.00 C ATOM 2433 CE LYS B 71 27.041 7.815 6.031 1.00 0.00 C ATOM 2434 NZ LYS B 71 27.662 7.470 7.342 1.00 0.00 N ATOM 0 H LYS B 71 23.379 11.677 5.103 1.00 0.00 H new ATOM 0 HA LYS B 71 23.125 9.224 3.524 1.00 0.00 H new ATOM 0 HB2 LYS B 71 23.102 9.735 6.525 1.00 0.00 H new ATOM 0 HB3 LYS B 71 23.080 8.156 5.767 1.00 0.00 H new ATOM 0 HG2 LYS B 71 25.306 9.364 4.606 1.00 0.00 H new ATOM 0 HG3 LYS B 71 25.341 9.980 6.246 1.00 0.00 H new ATOM 0 HD2 LYS B 71 25.205 7.670 7.137 1.00 0.00 H new ATOM 0 HD3 LYS B 71 25.110 7.033 5.507 1.00 0.00 H new ATOM 0 HE2 LYS B 71 27.352 7.088 5.281 1.00 0.00 H new ATOM 0 HE3 LYS B 71 27.406 8.788 5.702 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 28.697 7.462 7.244 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 27.387 8.177 8.053 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 27.335 6.530 7.644 1.00 0.00 H new ATOM 2448 N LEU B 72 20.661 9.069 3.492 1.00 0.00 N ATOM 2449 CA LEU B 72 19.207 8.914 3.457 1.00 0.00 C ATOM 2450 C LEU B 72 18.789 7.541 3.980 1.00 0.00 C ATOM 2451 O LEU B 72 19.408 6.526 3.651 1.00 0.00 O ATOM 2452 CB LEU B 72 18.680 9.107 2.031 1.00 0.00 C ATOM 2453 CG LEU B 72 17.553 10.135 1.878 1.00 0.00 C ATOM 2454 CD1 LEU B 72 17.045 10.156 0.444 1.00 0.00 C ATOM 2455 CD2 LEU B 72 16.411 9.835 2.838 1.00 0.00 C ATOM 0 H LEU B 72 21.147 8.655 2.696 1.00 0.00 H new ATOM 0 HA LEU B 72 18.776 9.678 4.104 1.00 0.00 H new ATOM 0 HB2 LEU B 72 19.511 9.407 1.393 1.00 0.00 H new ATOM 0 HB3 LEU B 72 18.324 8.146 1.660 1.00 0.00 H new ATOM 0 HG LEU B 72 17.955 11.118 2.122 1.00 0.00 H new ATOM 0 HD11 LEU B 72 16.245 10.891 0.352 1.00 0.00 H new ATOM 0 HD12 LEU B 72 17.861 10.422 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU B 72 16.664 9.170 0.179 1.00 0.00 H new ATOM 0 HD21 LEU B 72 15.624 10.578 2.710 1.00 0.00 H new ATOM 0 HD22 LEU B 72 16.011 8.843 2.629 1.00 0.00 H new ATOM 0 HD23 LEU B 72 16.779 9.869 3.863 1.00 0.00 H new ATOM 2467 N LYS B 73 17.731 7.517 4.787 1.00 0.00 N ATOM 2468 CA LYS B 73 17.219 6.272 5.349 1.00 0.00 C ATOM 2469 C LYS B 73 15.745 6.090 5.002 1.00 0.00 C ATOM 2470 O LYS B 73 14.916 6.936 5.329 1.00 0.00 O ATOM 2471 CB LYS B 73 17.405 6.255 6.868 1.00 0.00 C ATOM 2472 CG LYS B 73 18.537 5.352 7.332 1.00 0.00 C ATOM 2473 CD LYS B 73 18.328 4.889 8.766 1.00 0.00 C ATOM 2474 CE LYS B 73 17.691 3.508 8.820 1.00 0.00 C ATOM 2475 NZ LYS B 73 18.701 2.417 8.692 1.00 0.00 N ATOM 0 H LYS B 73 17.211 8.349 5.066 1.00 0.00 H new ATOM 0 HA LYS B 73 17.783 5.446 4.915 1.00 0.00 H new ATOM 0 HB2 LYS B 73 17.597 7.271 7.214 1.00 0.00 H new ATOM 0 HB3 LYS B 73 16.476 5.929 7.336 1.00 0.00 H new ATOM 0 HG2 LYS B 73 18.605 4.485 6.675 1.00 0.00 H new ATOM 0 HG3 LYS B 73 19.484 5.885 7.255 1.00 0.00 H new ATOM 0 HD2 LYS B 73 19.286 4.869 9.286 1.00 0.00 H new ATOM 0 HD3 LYS B 73 17.694 5.604 9.291 1.00 0.00 H new ATOM 0 HE2 LYS B 73 17.153 3.394 9.761 1.00 0.00 H new ATOM 0 HE3 LYS B 73 16.956 3.417 8.020 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 18.223 1.494 8.734 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 19.198 2.508 7.783 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 19.388 2.487 9.470 1.00 0.00 H new ATOM 2489 N MET B 74 15.427 4.982 4.339 1.00 0.00 N ATOM 2490 CA MET B 74 14.050 4.687 3.948 1.00 0.00 C ATOM 2491 C MET B 74 13.693 3.242 4.285 1.00 0.00 C ATOM 2492 O MET B 74 14.299 2.308 3.764 1.00 0.00 O ATOM 2493 CB MET B 74 13.857 4.940 2.450 1.00 0.00 C ATOM 2494 CG MET B 74 13.773 6.413 2.083 1.00 0.00 C ATOM 2495 SD MET B 74 14.533 6.779 0.488 1.00 0.00 S ATOM 2496 CE MET B 74 13.819 5.494 -0.536 1.00 0.00 C ATOM 0 H MET B 74 16.104 4.272 4.060 1.00 0.00 H new ATOM 0 HA MET B 74 13.387 5.348 4.506 1.00 0.00 H new ATOM 0 HB2 MET B 74 14.684 4.486 1.905 1.00 0.00 H new ATOM 0 HB3 MET B 74 12.946 4.440 2.121 1.00 0.00 H new ATOM 0 HG2 MET B 74 12.727 6.718 2.061 1.00 0.00 H new ATOM 0 HG3 MET B 74 14.261 7.004 2.858 1.00 0.00 H new ATOM 0 HE1 MET B 74 13.990 5.729 -1.587 1.00 0.00 H new ATOM 0 HE2 MET B 74 14.285 4.538 -0.298 1.00 0.00 H new ATOM 0 HE3 MET B 74 12.747 5.432 -0.348 1.00 0.00 H new ATOM 2506 N VAL B 75 12.703 3.067 5.157 1.00 0.00 N ATOM 2507 CA VAL B 75 12.264 1.734 5.566 1.00 0.00 C ATOM 2508 C VAL B 75 11.031 1.303 4.773 1.00 0.00 C ATOM 2509 O VAL B 75 10.042 2.034 4.702 1.00 0.00 O ATOM 2510 CB VAL B 75 11.939 1.683 7.077 1.00 0.00 C ATOM 2511 CG1 VAL B 75 11.618 0.260 7.510 1.00 0.00 C ATOM 2512 CG2 VAL B 75 13.093 2.250 7.896 1.00 0.00 C ATOM 0 H VAL B 75 12.189 3.832 5.595 1.00 0.00 H new ATOM 0 HA VAL B 75 13.087 1.049 5.361 1.00 0.00 H new ATOM 0 HB VAL B 75 11.059 2.300 7.258 1.00 0.00 H new ATOM 0 HG11 VAL B 75 11.392 0.246 8.576 1.00 0.00 H new ATOM 0 HG12 VAL B 75 10.756 -0.104 6.952 1.00 0.00 H new ATOM 0 HG13 VAL B 75 12.476 -0.383 7.312 1.00 0.00 H new ATOM 0 HG21 VAL B 75 12.844 2.205 8.956 1.00 0.00 H new ATOM 0 HG22 VAL B 75 13.993 1.665 7.710 1.00 0.00 H new ATOM 0 HG23 VAL B 75 13.268 3.287 7.609 1.00 0.00 H new ATOM 2522 N VAL B 76 11.103 0.113 4.177 1.00 0.00 N ATOM 2523 CA VAL B 76 9.997 -0.422 3.382 1.00 0.00 C ATOM 2524 C VAL B 76 9.408 -1.682 4.017 1.00 0.00 C ATOM 2525 O VAL B 76 9.938 -2.201 5.002 1.00 0.00 O ATOM 2526 CB VAL B 76 10.442 -0.753 1.940 1.00 0.00 C ATOM 2527 CG1 VAL B 76 10.950 0.494 1.232 1.00 0.00 C ATOM 2528 CG2 VAL B 76 11.502 -1.847 1.949 1.00 0.00 C ATOM 0 H VAL B 76 11.917 -0.500 4.230 1.00 0.00 H new ATOM 0 HA VAL B 76 9.235 0.357 3.353 1.00 0.00 H new ATOM 0 HB VAL B 76 9.577 -1.121 1.388 1.00 0.00 H new ATOM 0 HG11 VAL B 76 11.258 0.237 0.218 1.00 0.00 H new ATOM 0 HG12 VAL B 76 10.155 1.239 1.192 1.00 0.00 H new ATOM 0 HG13 VAL B 76 11.801 0.901 1.778 1.00 0.00 H new ATOM 0 HG21 VAL B 76 11.805 -2.069 0.926 1.00 0.00 H new ATOM 0 HG22 VAL B 76 12.368 -1.510 2.519 1.00 0.00 H new ATOM 0 HG23 VAL B 76 11.093 -2.746 2.409 1.00 0.00 H new ATOM 2538 N GLN B 77 8.309 -2.171 3.439 1.00 0.00 N ATOM 2539 CA GLN B 77 7.644 -3.372 3.937 1.00 0.00 C ATOM 2540 C GLN B 77 7.783 -4.528 2.944 1.00 0.00 C ATOM 2541 O GLN B 77 7.145 -4.536 1.889 1.00 0.00 O ATOM 2542 CB GLN B 77 6.161 -3.090 4.219 1.00 0.00 C ATOM 2543 CG GLN B 77 5.396 -2.522 3.028 1.00 0.00 C ATOM 2544 CD GLN B 77 4.273 -3.432 2.554 1.00 0.00 C ATOM 2545 OE1 GLN B 77 4.216 -4.608 2.914 1.00 0.00 O ATOM 2546 NE2 GLN B 77 3.375 -2.891 1.738 1.00 0.00 N ATOM 0 H GLN B 77 7.862 -1.751 2.624 1.00 0.00 H new ATOM 0 HA GLN B 77 8.129 -3.662 4.869 1.00 0.00 H new ATOM 0 HB2 GLN B 77 5.681 -4.015 4.537 1.00 0.00 H new ATOM 0 HB3 GLN B 77 6.088 -2.390 5.051 1.00 0.00 H new ATOM 0 HG2 GLN B 77 4.980 -1.552 3.300 1.00 0.00 H new ATOM 0 HG3 GLN B 77 6.090 -2.352 2.205 1.00 0.00 H new ATOM 0 HE21 GLN B 77 3.459 -1.912 1.464 1.00 0.00 H new ATOM 0 HE22 GLN B 77 2.601 -3.455 1.385 1.00 0.00 H new