USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 795 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 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 33 SER OG : rot 180:sc= 0.883 USER MOD Set 2.2: A 36 THR OG1 : rot 92:sc= 1 USER MOD Set 3.1: A 2 HIS : no HD1:sc= 0.0601 X(o=0.14,f=0) USER MOD Set 3.2: A 4 TYR OH : rot -142:sc= 0.0798 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= -0.0165 (180deg=-0.385) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -83:sc= -1.44 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0512) USER MOD Single : A 15 TYR OH : rot -155:sc= -0.635 USER MOD Single : A 19 THR OG1 : rot -138:sc= 0.937 USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.105 (180deg=-0.412) USER MOD Single : A 21 LYS NZ :NH3+ -151:sc= -0.459 (180deg=-1.36) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0913 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -11.3! C(o=-11!,f=-13!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -95:sc= 1.28 USER MOD Single : A 49 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.57) USER MOD Single : A 54 ASN : amide:sc= -0.0634 X(o=-0.063,f=-0.27) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -6.13! C(o=-6.1!,f=-10!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.364 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0186) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc=-0.00349 K(o=-0.0035,f=-1.4!) USER MOD Single : A 92 GLN : amide:sc= -0.077 X(o=-0.077,f=-0.43) USER MOD Single : A 93 SER OG : rot 180:sc= -0.28 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.460 3.392 2.376 1.00 33.12 N ATOM 2 CA MET A 1 5.298 2.843 1.317 1.00 43.34 C ATOM 3 C MET A 1 4.459 2.462 0.101 1.00 10.52 C ATOM 4 O MET A 1 4.017 1.320 -0.027 1.00 52.31 O ATOM 5 CB MET A 1 6.065 1.621 1.825 1.00 71.20 C ATOM 6 CG MET A 1 6.911 1.903 3.056 1.00 34.43 C ATOM 7 SD MET A 1 6.348 0.993 4.508 1.00 24.20 S ATOM 8 CE MET A 1 7.911 0.445 5.191 1.00 43.35 C ATOM 0 H1 MET A 1 5.027 4.026 2.974 1.00 33.12 H new ATOM 0 H2 MET A 1 3.673 3.926 1.955 1.00 33.12 H new ATOM 0 H3 MET A 1 4.081 2.616 2.956 1.00 33.12 H new ATOM 0 HA MET A 1 6.011 3.611 1.018 1.00 43.34 H new ATOM 0 HB2 MET A 1 5.355 0.827 2.056 1.00 71.20 H new ATOM 0 HB3 MET A 1 6.710 1.250 1.028 1.00 71.20 H new ATOM 0 HG2 MET A 1 7.948 1.641 2.847 1.00 34.43 H new ATOM 0 HG3 MET A 1 6.889 2.971 3.270 1.00 34.43 H new ATOM 0 HE1 MET A 1 7.729 -0.134 6.097 1.00 43.35 H new ATOM 0 HE2 MET A 1 8.429 -0.177 4.461 1.00 43.35 H new ATOM 0 HE3 MET A 1 8.527 1.312 5.432 1.00 43.35 H new ATOM 18 N HIS A 2 4.243 3.426 -0.789 1.00 14.04 N ATOM 19 CA HIS A 2 3.456 3.191 -1.994 1.00 61.22 C ATOM 20 C HIS A 2 4.346 3.196 -3.233 1.00 64.32 C ATOM 21 O HIS A 2 5.559 3.383 -3.137 1.00 44.22 O ATOM 22 CB HIS A 2 2.365 4.253 -2.132 1.00 32.31 C ATOM 23 CG HIS A 2 1.394 4.265 -0.992 1.00 33.03 C ATOM 24 ND1 HIS A 2 0.252 3.493 -0.967 1.00 73.44 N ATOM 25 CD2 HIS A 2 1.400 4.961 0.169 1.00 23.23 C ATOM 26 CE1 HIS A 2 -0.403 3.714 0.158 1.00 11.13 C ATOM 27 NE2 HIS A 2 0.273 4.601 0.866 1.00 21.11 N ATOM 0 H HIS A 2 4.602 4.376 -0.698 1.00 14.04 H new ATOM 0 HA HIS A 2 2.989 2.210 -1.907 1.00 61.22 H new ATOM 0 HB2 HIS A 2 2.833 5.234 -2.211 1.00 32.31 H new ATOM 0 HB3 HIS A 2 1.820 4.084 -3.061 1.00 32.31 H new ATOM 0 HD2 HIS A 2 2.152 5.668 0.488 1.00 23.23 H new ATOM 0 HE1 HIS A 2 -1.333 3.249 0.450 1.00 11.13 H new ATOM 0 HE2 HIS A 2 0.002 4.960 1.781 1.00 21.11 H new ATOM 35 N ASP A 3 3.736 2.988 -4.395 1.00 24.32 N ATOM 36 CA ASP A 3 4.474 2.968 -5.653 1.00 14.51 C ATOM 37 C ASP A 3 4.775 4.387 -6.128 1.00 74.51 C ATOM 38 O ASP A 3 5.935 4.762 -6.297 1.00 10.44 O ATOM 39 CB ASP A 3 3.680 2.217 -6.722 1.00 73.34 C ATOM 40 CG ASP A 3 3.086 0.923 -6.200 1.00 64.15 C ATOM 41 OD1 ASP A 3 1.982 0.969 -5.620 1.00 21.14 O ATOM 42 OD2 ASP A 3 3.727 -0.136 -6.372 1.00 52.32 O ATOM 0 H ASP A 3 2.733 2.831 -4.492 1.00 24.32 H new ATOM 0 HA ASP A 3 5.419 2.452 -5.484 1.00 14.51 H new ATOM 0 HB2 ASP A 3 2.880 2.857 -7.093 1.00 73.34 H new ATOM 0 HB3 ASP A 3 4.332 1.999 -7.568 1.00 73.34 H new ATOM 47 N TYR A 4 3.723 5.169 -6.343 1.00 73.53 N ATOM 48 CA TYR A 4 3.874 6.544 -6.803 1.00 2.04 C ATOM 49 C TYR A 4 4.842 7.313 -5.909 1.00 1.41 C ATOM 50 O TYR A 4 5.592 8.169 -6.380 1.00 24.24 O ATOM 51 CB TYR A 4 2.516 7.248 -6.828 1.00 24.14 C ATOM 52 CG TYR A 4 1.680 6.995 -5.593 1.00 44.14 C ATOM 53 CD1 TYR A 4 1.863 7.748 -4.440 1.00 62.11 C ATOM 54 CD2 TYR A 4 0.707 6.004 -5.581 1.00 71.30 C ATOM 55 CE1 TYR A 4 1.102 7.520 -3.310 1.00 62.30 C ATOM 56 CE2 TYR A 4 -0.060 5.769 -4.456 1.00 2.40 C ATOM 57 CZ TYR A 4 0.142 6.530 -3.323 1.00 31.41 C ATOM 58 OH TYR A 4 -0.619 6.300 -2.200 1.00 12.13 O ATOM 0 H TYR A 4 2.756 4.874 -6.206 1.00 73.53 H new ATOM 0 HA TYR A 4 4.281 6.520 -7.814 1.00 2.04 H new ATOM 0 HB2 TYR A 4 2.674 8.321 -6.936 1.00 24.14 H new ATOM 0 HB3 TYR A 4 1.961 6.918 -7.706 1.00 24.14 H new ATOM 0 HD1 TYR A 4 2.613 8.525 -4.427 1.00 62.11 H new ATOM 0 HD2 TYR A 4 0.547 5.407 -6.466 1.00 71.30 H new ATOM 0 HE1 TYR A 4 1.258 8.114 -2.421 1.00 62.30 H new ATOM 0 HE2 TYR A 4 -0.813 4.995 -4.463 1.00 2.40 H new ATOM 0 HH TYR A 4 -0.769 5.337 -2.098 1.00 12.13 H new ATOM 68 N ILE A 5 4.819 7.002 -4.617 1.00 40.14 N ATOM 69 CA ILE A 5 5.695 7.662 -3.657 1.00 61.13 C ATOM 70 C ILE A 5 7.158 7.535 -4.070 1.00 34.53 C ATOM 71 O ILE A 5 7.988 8.376 -3.724 1.00 34.32 O ATOM 72 CB ILE A 5 5.520 7.079 -2.242 1.00 51.44 C ATOM 73 CG1 ILE A 5 5.523 8.201 -1.202 1.00 21.15 C ATOM 74 CG2 ILE A 5 6.619 6.070 -1.945 1.00 51.31 C ATOM 75 CD1 ILE A 5 6.761 9.069 -1.252 1.00 60.23 C ATOM 0 H ILE A 5 4.203 6.297 -4.211 1.00 40.14 H new ATOM 0 HA ILE A 5 5.414 8.715 -3.645 1.00 61.13 H new ATOM 0 HB ILE A 5 4.560 6.565 -2.192 1.00 51.44 H new ATOM 0 HG12 ILE A 5 4.644 8.827 -1.353 1.00 21.15 H new ATOM 0 HG13 ILE A 5 5.436 7.764 -0.207 1.00 21.15 H new ATOM 0 HG21 ILE A 5 6.482 5.667 -0.942 1.00 51.31 H new ATOM 0 HG22 ILE A 5 6.574 5.258 -2.671 1.00 51.31 H new ATOM 0 HG23 ILE A 5 7.590 6.561 -2.009 1.00 51.31 H new ATOM 0 HD11 ILE A 5 6.694 9.843 -0.487 1.00 60.23 H new ATOM 0 HD12 ILE A 5 7.643 8.455 -1.071 1.00 60.23 H new ATOM 0 HD13 ILE A 5 6.839 9.535 -2.234 1.00 60.23 H new ATOM 87 N LYS A 6 7.467 6.478 -4.813 1.00 61.41 N ATOM 88 CA LYS A 6 8.829 6.240 -5.277 1.00 11.11 C ATOM 89 C LYS A 6 9.207 7.222 -6.381 1.00 74.04 C ATOM 90 O LYS A 6 10.382 7.527 -6.577 1.00 4.22 O ATOM 91 CB LYS A 6 8.973 4.804 -5.785 1.00 62.14 C ATOM 92 CG LYS A 6 8.664 4.648 -7.264 1.00 55.22 C ATOM 93 CD LYS A 6 9.913 4.805 -8.115 1.00 54.40 C ATOM 94 CE LYS A 6 10.144 3.587 -8.996 1.00 0.13 C ATOM 95 NZ LYS A 6 9.399 3.683 -10.282 1.00 31.45 N ATOM 0 H LYS A 6 6.792 5.772 -5.107 1.00 61.41 H new ATOM 0 HA LYS A 6 9.505 6.390 -4.435 1.00 11.11 H new ATOM 0 HB2 LYS A 6 9.990 4.461 -5.597 1.00 62.14 H new ATOM 0 HB3 LYS A 6 8.308 4.157 -5.213 1.00 62.14 H new ATOM 0 HG2 LYS A 6 8.222 3.668 -7.443 1.00 55.22 H new ATOM 0 HG3 LYS A 6 7.924 5.391 -7.562 1.00 55.22 H new ATOM 0 HD2 LYS A 6 9.820 5.694 -8.739 1.00 54.40 H new ATOM 0 HD3 LYS A 6 10.778 4.958 -7.469 1.00 54.40 H new ATOM 0 HE2 LYS A 6 11.210 3.484 -9.201 1.00 0.13 H new ATOM 0 HE3 LYS A 6 9.833 2.689 -8.462 1.00 0.13 H new ATOM 0 HZ1 LYS A 6 9.583 2.834 -10.854 1.00 31.45 H new ATOM 0 HZ2 LYS A 6 8.380 3.756 -10.088 1.00 31.45 H new ATOM 0 HZ3 LYS A 6 9.714 4.526 -10.803 1.00 31.45 H new ATOM 109 N GLU A 7 8.201 7.714 -7.099 1.00 64.32 N ATOM 110 CA GLU A 7 8.430 8.662 -8.183 1.00 70.22 C ATOM 111 C GLU A 7 8.551 10.085 -7.645 1.00 74.32 C ATOM 112 O GLU A 7 9.161 10.948 -8.275 1.00 45.12 O ATOM 113 CB GLU A 7 7.294 8.586 -9.205 1.00 75.10 C ATOM 114 CG GLU A 7 6.983 7.172 -9.666 1.00 34.34 C ATOM 115 CD GLU A 7 6.172 7.140 -10.947 1.00 2.32 C ATOM 116 OE1 GLU A 7 6.701 7.572 -11.993 1.00 34.20 O ATOM 117 OE2 GLU A 7 5.010 6.685 -10.904 1.00 23.04 O ATOM 0 H GLU A 7 7.221 7.472 -6.949 1.00 64.32 H new ATOM 0 HA GLU A 7 9.367 8.396 -8.672 1.00 70.22 H new ATOM 0 HB2 GLU A 7 6.395 9.023 -8.770 1.00 75.10 H new ATOM 0 HB3 GLU A 7 7.556 9.192 -10.072 1.00 75.10 H new ATOM 0 HG2 GLU A 7 7.916 6.630 -9.818 1.00 34.34 H new ATOM 0 HG3 GLU A 7 6.436 6.650 -8.881 1.00 34.34 H new ATOM 124 N ARG A 8 7.963 10.321 -6.477 1.00 23.24 N ATOM 125 CA ARG A 8 8.003 11.639 -5.854 1.00 70.51 C ATOM 126 C ARG A 8 9.440 12.058 -5.560 1.00 23.32 C ATOM 127 O ARG A 8 9.777 13.241 -5.612 1.00 41.22 O ATOM 128 CB ARG A 8 7.185 11.640 -4.561 1.00 41.12 C ATOM 129 CG ARG A 8 6.941 13.030 -3.997 1.00 12.12 C ATOM 130 CD ARG A 8 5.488 13.218 -3.588 1.00 41.14 C ATOM 131 NE ARG A 8 5.352 14.126 -2.453 1.00 11.12 N ATOM 132 CZ ARG A 8 4.279 14.170 -1.671 1.00 55.05 C ATOM 133 NH1 ARG A 8 3.253 13.361 -1.902 1.00 5.23 N ATOM 134 NH2 ARG A 8 4.229 15.024 -0.657 1.00 62.01 N ATOM 0 H ARG A 8 7.453 9.617 -5.943 1.00 23.24 H new ATOM 0 HA ARG A 8 7.569 12.356 -6.551 1.00 70.51 H new ATOM 0 HB2 ARG A 8 6.225 11.159 -4.748 1.00 41.12 H new ATOM 0 HB3 ARG A 8 7.702 11.039 -3.813 1.00 41.12 H new ATOM 0 HG2 ARG A 8 7.587 13.192 -3.134 1.00 12.12 H new ATOM 0 HG3 ARG A 8 7.210 13.779 -4.742 1.00 12.12 H new ATOM 0 HD2 ARG A 8 4.921 13.607 -4.434 1.00 41.14 H new ATOM 0 HD3 ARG A 8 5.055 12.251 -3.332 1.00 41.14 H new ATOM 0 HE ARG A 8 6.123 14.762 -2.249 1.00 11.12 H new ATOM 0 HH11 ARG A 8 3.287 12.704 -2.681 1.00 5.23 H new ATOM 0 HH12 ARG A 8 2.430 13.396 -1.300 1.00 5.23 H new ATOM 0 HH21 ARG A 8 5.015 15.648 -0.477 1.00 62.01 H new ATOM 0 HH22 ARG A 8 3.404 15.056 -0.058 1.00 62.01 H new ATOM 148 N THR A 9 10.285 11.079 -5.249 1.00 41.23 N ATOM 149 CA THR A 9 11.685 11.346 -4.945 1.00 22.10 C ATOM 150 C THR A 9 12.509 11.481 -6.220 1.00 50.14 C ATOM 151 O THR A 9 13.531 12.168 -6.240 1.00 72.04 O ATOM 152 CB THR A 9 12.292 10.232 -4.071 1.00 1.21 C ATOM 153 OG1 THR A 9 13.690 10.471 -3.875 1.00 24.23 O ATOM 154 CG2 THR A 9 12.091 8.869 -4.715 1.00 34.34 C ATOM 0 H THR A 9 10.023 10.094 -5.201 1.00 41.23 H new ATOM 0 HA THR A 9 11.715 12.287 -4.395 1.00 22.10 H new ATOM 0 HB THR A 9 11.784 10.239 -3.107 1.00 1.21 H new ATOM 0 HG1 THR A 9 14.191 10.130 -4.645 1.00 24.23 H new ATOM 0 HG21 THR A 9 12.528 8.098 -4.080 1.00 34.34 H new ATOM 0 HG22 THR A 9 11.025 8.678 -4.837 1.00 34.34 H new ATOM 0 HG23 THR A 9 12.576 8.853 -5.691 1.00 34.34 H new ATOM 162 N ILE A 10 12.058 10.823 -7.283 1.00 22.11 N ATOM 163 CA ILE A 10 12.754 10.872 -8.563 1.00 34.20 C ATOM 164 C ILE A 10 13.052 12.310 -8.972 1.00 0.22 C ATOM 165 O ILE A 10 14.165 12.630 -9.391 1.00 55.50 O ATOM 166 CB ILE A 10 11.933 10.193 -9.676 1.00 0.42 C ATOM 167 CG1 ILE A 10 11.881 8.681 -9.451 1.00 70.22 C ATOM 168 CG2 ILE A 10 12.526 10.512 -11.040 1.00 61.42 C ATOM 169 CD1 ILE A 10 13.236 8.013 -9.520 1.00 64.31 C ATOM 0 H ILE A 10 11.214 10.250 -7.283 1.00 22.11 H new ATOM 0 HA ILE A 10 13.692 10.332 -8.433 1.00 34.20 H new ATOM 0 HB ILE A 10 10.915 10.580 -9.645 1.00 0.42 H new ATOM 0 HG12 ILE A 10 11.436 8.482 -8.476 1.00 70.22 H new ATOM 0 HG13 ILE A 10 11.226 8.233 -10.198 1.00 70.22 H new ATOM 0 HG21 ILE A 10 11.935 10.025 -11.816 1.00 61.42 H new ATOM 0 HG22 ILE A 10 12.515 11.590 -11.198 1.00 61.42 H new ATOM 0 HG23 ILE A 10 13.553 10.149 -11.084 1.00 61.42 H new ATOM 0 HD11 ILE A 10 13.123 6.942 -9.351 1.00 64.31 H new ATOM 0 HD12 ILE A 10 13.675 8.181 -10.504 1.00 64.31 H new ATOM 0 HD13 ILE A 10 13.888 8.434 -8.755 1.00 64.31 H new ATOM 181 N LYS A 11 12.051 13.175 -8.846 1.00 3.14 N ATOM 182 CA LYS A 11 12.206 14.581 -9.199 1.00 15.45 C ATOM 183 C LYS A 11 13.278 15.243 -8.340 1.00 4.33 C ATOM 184 O LYS A 11 14.094 16.019 -8.838 1.00 42.24 O ATOM 185 CB LYS A 11 10.876 15.319 -9.031 1.00 15.54 C ATOM 186 CG LYS A 11 9.692 14.584 -9.635 1.00 15.53 C ATOM 187 CD LYS A 11 8.423 15.417 -9.563 1.00 15.23 C ATOM 188 CE LYS A 11 7.179 14.544 -9.622 1.00 33.22 C ATOM 189 NZ LYS A 11 5.946 15.312 -9.295 1.00 35.23 N ATOM 0 H LYS A 11 11.123 12.927 -8.502 1.00 3.14 H new ATOM 0 HA LYS A 11 12.517 14.636 -10.242 1.00 15.45 H new ATOM 0 HB2 LYS A 11 10.690 15.479 -7.969 1.00 15.54 H new ATOM 0 HB3 LYS A 11 10.956 16.303 -9.492 1.00 15.54 H new ATOM 0 HG2 LYS A 11 9.908 14.337 -10.674 1.00 15.53 H new ATOM 0 HG3 LYS A 11 9.540 13.642 -9.108 1.00 15.53 H new ATOM 0 HD2 LYS A 11 8.419 15.996 -8.640 1.00 15.23 H new ATOM 0 HD3 LYS A 11 8.408 16.130 -10.387 1.00 15.23 H new ATOM 0 HE2 LYS A 11 7.085 14.113 -10.619 1.00 33.22 H new ATOM 0 HE3 LYS A 11 7.285 13.713 -8.924 1.00 33.22 H new ATOM 0 HZ1 LYS A 11 5.120 14.682 -9.346 1.00 35.23 H new ATOM 0 HZ2 LYS A 11 6.025 15.702 -8.334 1.00 35.23 H new ATOM 0 HZ3 LYS A 11 5.830 16.090 -9.976 1.00 35.23 H new ATOM 203 N ILE A 12 13.272 14.931 -7.048 1.00 60.03 N ATOM 204 CA ILE A 12 14.246 15.494 -6.122 1.00 24.01 C ATOM 205 C ILE A 12 15.655 15.003 -6.440 1.00 33.23 C ATOM 206 O ILE A 12 16.562 15.799 -6.676 1.00 25.30 O ATOM 207 CB ILE A 12 13.907 15.137 -4.663 1.00 24.04 C ATOM 208 CG1 ILE A 12 12.513 15.652 -4.299 1.00 44.42 C ATOM 209 CG2 ILE A 12 14.953 15.713 -3.720 1.00 24.22 C ATOM 210 CD1 ILE A 12 12.102 15.333 -2.879 1.00 62.40 C ATOM 0 H ILE A 12 12.603 14.291 -6.619 1.00 60.03 H new ATOM 0 HA ILE A 12 14.206 16.577 -6.241 1.00 24.01 H new ATOM 0 HB ILE A 12 13.911 14.052 -4.560 1.00 24.04 H new ATOM 0 HG12 ILE A 12 12.485 16.732 -4.443 1.00 44.42 H new ATOM 0 HG13 ILE A 12 11.784 15.220 -4.985 1.00 44.42 H new ATOM 0 HG21 ILE A 12 14.700 15.452 -2.692 1.00 24.22 H new ATOM 0 HG22 ILE A 12 15.932 15.302 -3.968 1.00 24.22 H new ATOM 0 HG23 ILE A 12 14.978 16.798 -3.823 1.00 24.22 H new ATOM 0 HD11 ILE A 12 11.104 15.728 -2.692 1.00 62.40 H new ATOM 0 HD12 ILE A 12 12.097 14.252 -2.736 1.00 62.40 H new ATOM 0 HD13 ILE A 12 12.808 15.788 -2.185 1.00 62.40 H new ATOM 222 N GLY A 13 15.829 13.685 -6.445 1.00 72.42 N ATOM 223 CA GLY A 13 17.129 13.109 -6.737 1.00 13.30 C ATOM 224 C GLY A 13 17.704 13.610 -8.047 1.00 12.51 C ATOM 225 O GLY A 13 18.920 13.737 -8.192 1.00 71.53 O ATOM 0 H GLY A 13 15.093 13.006 -6.252 1.00 72.42 H new ATOM 0 HA2 GLY A 13 17.818 13.346 -5.927 1.00 13.30 H new ATOM 0 HA3 GLY A 13 17.042 12.023 -6.774 1.00 13.30 H new ATOM 229 N LYS A 14 16.828 13.896 -9.005 1.00 3.13 N ATOM 230 CA LYS A 14 17.255 14.386 -10.310 1.00 74.02 C ATOM 231 C LYS A 14 17.428 15.901 -10.293 1.00 4.35 C ATOM 232 O LYS A 14 18.180 16.459 -11.093 1.00 34.10 O ATOM 233 CB LYS A 14 16.237 13.991 -11.383 1.00 41.20 C ATOM 234 CG LYS A 14 16.067 12.490 -11.536 1.00 75.34 C ATOM 235 CD LYS A 14 16.654 11.993 -12.846 1.00 65.34 C ATOM 236 CE LYS A 14 16.060 10.653 -13.251 1.00 74.34 C ATOM 237 NZ LYS A 14 17.088 9.738 -13.820 1.00 4.14 N ATOM 0 H LYS A 14 15.818 13.797 -8.902 1.00 3.13 H new ATOM 0 HA LYS A 14 18.217 13.931 -10.544 1.00 74.02 H new ATOM 0 HB2 LYS A 14 15.272 14.434 -11.137 1.00 41.20 H new ATOM 0 HB3 LYS A 14 16.547 14.412 -12.339 1.00 41.20 H new ATOM 0 HG2 LYS A 14 16.552 11.981 -10.703 1.00 75.34 H new ATOM 0 HG3 LYS A 14 15.008 12.236 -11.491 1.00 75.34 H new ATOM 0 HD2 LYS A 14 16.468 12.726 -13.631 1.00 65.34 H new ATOM 0 HD3 LYS A 14 17.735 11.898 -12.748 1.00 65.34 H new ATOM 0 HE2 LYS A 14 15.597 10.184 -12.383 1.00 74.34 H new ATOM 0 HE3 LYS A 14 15.270 10.813 -13.985 1.00 74.34 H new ATOM 0 HZ1 LYS A 14 16.684 8.785 -13.926 1.00 4.14 H new ATOM 0 HZ2 LYS A 14 17.390 10.091 -14.750 1.00 4.14 H new ATOM 0 HZ3 LYS A 14 17.908 9.698 -13.182 1.00 4.14 H new ATOM 251 N TYR A 15 16.731 16.561 -9.375 1.00 0.42 N ATOM 252 CA TYR A 15 16.808 18.012 -9.254 1.00 11.42 C ATOM 253 C TYR A 15 18.066 18.430 -8.498 1.00 53.22 C ATOM 254 O TYR A 15 18.718 19.413 -8.852 1.00 13.24 O ATOM 255 CB TYR A 15 15.568 18.552 -8.540 1.00 14.13 C ATOM 256 CG TYR A 15 15.509 20.062 -8.485 1.00 25.13 C ATOM 257 CD1 TYR A 15 16.195 20.768 -7.504 1.00 22.45 C ATOM 258 CD2 TYR A 15 14.768 20.783 -9.413 1.00 24.23 C ATOM 259 CE1 TYR A 15 16.145 22.147 -7.449 1.00 14.12 C ATOM 260 CE2 TYR A 15 14.713 22.162 -9.367 1.00 3.35 C ATOM 261 CZ TYR A 15 15.403 22.840 -8.383 1.00 32.13 C ATOM 262 OH TYR A 15 15.349 24.214 -8.332 1.00 42.04 O ATOM 0 H TYR A 15 16.106 16.114 -8.704 1.00 0.42 H new ATOM 0 HA TYR A 15 16.853 18.433 -10.259 1.00 11.42 H new ATOM 0 HB2 TYR A 15 14.677 18.180 -9.046 1.00 14.13 H new ATOM 0 HB3 TYR A 15 15.544 18.159 -7.524 1.00 14.13 H new ATOM 0 HD1 TYR A 15 16.777 20.229 -6.772 1.00 22.45 H new ATOM 0 HD2 TYR A 15 14.226 20.256 -10.184 1.00 24.23 H new ATOM 0 HE1 TYR A 15 16.684 22.680 -6.679 1.00 14.12 H new ATOM 0 HE2 TYR A 15 14.133 22.707 -10.097 1.00 3.35 H new ATOM 0 HH TYR A 15 14.523 24.525 -8.757 1.00 42.04 H new ATOM 272 N ILE A 16 18.400 17.676 -7.457 1.00 22.32 N ATOM 273 CA ILE A 16 19.580 17.966 -6.652 1.00 23.42 C ATOM 274 C ILE A 16 20.836 18.017 -7.516 1.00 11.53 C ATOM 275 O ILE A 16 21.757 18.789 -7.246 1.00 73.11 O ATOM 276 CB ILE A 16 19.777 16.916 -5.543 1.00 31.54 C ATOM 277 CG1 ILE A 16 20.205 15.577 -6.147 1.00 45.04 C ATOM 278 CG2 ILE A 16 18.498 16.753 -4.735 1.00 21.33 C ATOM 279 CD1 ILE A 16 21.704 15.372 -6.160 1.00 21.20 C ATOM 0 H ILE A 16 17.870 16.860 -7.151 1.00 22.32 H new ATOM 0 HA ILE A 16 19.417 18.941 -6.193 1.00 23.42 H new ATOM 0 HB ILE A 16 20.566 17.260 -4.874 1.00 31.54 H new ATOM 0 HG12 ILE A 16 19.741 14.768 -5.583 1.00 45.04 H new ATOM 0 HG13 ILE A 16 19.828 15.511 -7.168 1.00 45.04 H new ATOM 0 HG21 ILE A 16 18.653 16.008 -3.955 1.00 21.33 H new ATOM 0 HG22 ILE A 16 18.232 17.706 -4.278 1.00 21.33 H new ATOM 0 HG23 ILE A 16 17.691 16.428 -5.392 1.00 21.33 H new ATOM 0 HD11 ILE A 16 21.935 14.403 -6.602 1.00 21.20 H new ATOM 0 HD12 ILE A 16 22.174 16.160 -6.748 1.00 21.20 H new ATOM 0 HD13 ILE A 16 22.085 15.406 -5.139 1.00 21.20 H new ATOM 291 N VAL A 17 20.866 17.192 -8.557 1.00 75.02 N ATOM 292 CA VAL A 17 22.007 17.145 -9.463 1.00 53.34 C ATOM 293 C VAL A 17 21.882 18.198 -10.559 1.00 10.32 C ATOM 294 O VAL A 17 22.884 18.689 -11.078 1.00 72.11 O ATOM 295 CB VAL A 17 22.150 15.757 -10.115 1.00 14.00 C ATOM 296 CG1 VAL A 17 20.934 15.442 -10.973 1.00 34.23 C ATOM 297 CG2 VAL A 17 23.427 15.684 -10.939 1.00 15.44 C ATOM 0 H VAL A 17 20.113 16.547 -8.794 1.00 75.02 H new ATOM 0 HA VAL A 17 22.895 17.350 -8.864 1.00 53.34 H new ATOM 0 HB VAL A 17 22.211 15.009 -9.325 1.00 14.00 H new ATOM 0 HG11 VAL A 17 21.053 14.458 -11.425 1.00 34.23 H new ATOM 0 HG12 VAL A 17 20.038 15.450 -10.352 1.00 34.23 H new ATOM 0 HG13 VAL A 17 20.838 16.193 -11.758 1.00 34.23 H new ATOM 0 HG21 VAL A 17 23.512 14.696 -11.392 1.00 15.44 H new ATOM 0 HG22 VAL A 17 23.398 16.441 -11.722 1.00 15.44 H new ATOM 0 HG23 VAL A 17 24.287 15.862 -10.294 1.00 15.44 H new ATOM 307 N GLU A 18 20.645 18.541 -10.905 1.00 10.14 N ATOM 308 CA GLU A 18 20.390 19.536 -11.939 1.00 52.34 C ATOM 309 C GLU A 18 20.708 20.941 -11.434 1.00 21.51 C ATOM 310 O GLU A 18 21.087 21.821 -12.207 1.00 70.24 O ATOM 311 CB GLU A 18 18.932 19.466 -12.398 1.00 34.34 C ATOM 312 CG GLU A 18 18.771 19.097 -13.863 1.00 2.40 C ATOM 313 CD GLU A 18 17.550 18.236 -14.118 1.00 33.23 C ATOM 314 OE1 GLU A 18 16.523 18.449 -13.440 1.00 34.44 O ATOM 315 OE2 GLU A 18 17.621 17.349 -14.994 1.00 55.31 O ATOM 0 H GLU A 18 19.805 18.144 -10.484 1.00 10.14 H new ATOM 0 HA GLU A 18 21.041 19.317 -12.785 1.00 52.34 H new ATOM 0 HB2 GLU A 18 18.403 18.734 -11.788 1.00 34.34 H new ATOM 0 HB3 GLU A 18 18.458 20.431 -12.221 1.00 34.34 H new ATOM 0 HG2 GLU A 18 18.699 20.008 -14.457 1.00 2.40 H new ATOM 0 HG3 GLU A 18 19.662 18.566 -14.200 1.00 2.40 H new ATOM 322 N THR A 19 20.551 21.144 -10.129 1.00 71.55 N ATOM 323 CA THR A 19 20.819 22.440 -9.520 1.00 23.21 C ATOM 324 C THR A 19 22.059 22.385 -8.634 1.00 34.21 C ATOM 325 O THR A 19 22.632 23.417 -8.285 1.00 14.10 O ATOM 326 CB THR A 19 19.623 22.924 -8.680 1.00 34.04 C ATOM 327 OG1 THR A 19 19.371 22.005 -7.610 1.00 50.24 O ATOM 328 CG2 THR A 19 18.376 23.061 -9.541 1.00 64.22 C ATOM 0 H THR A 19 20.239 20.427 -9.474 1.00 71.55 H new ATOM 0 HA THR A 19 20.989 23.143 -10.335 1.00 23.21 H new ATOM 0 HB THR A 19 19.870 23.902 -8.268 1.00 34.04 H new ATOM 0 HG1 THR A 19 18.405 21.863 -7.521 1.00 50.24 H new ATOM 0 HG21 THR A 19 17.545 23.404 -8.925 1.00 64.22 H new ATOM 0 HG22 THR A 19 18.561 23.783 -10.336 1.00 64.22 H new ATOM 0 HG23 THR A 19 18.128 22.094 -9.979 1.00 64.22 H new ATOM 336 N LYS A 20 22.469 21.174 -8.273 1.00 72.41 N ATOM 337 CA LYS A 20 23.642 20.983 -7.429 1.00 22.31 C ATOM 338 C LYS A 20 23.496 21.742 -6.114 1.00 71.10 C ATOM 339 O LYS A 20 24.487 22.114 -5.486 1.00 64.20 O ATOM 340 CB LYS A 20 24.903 21.447 -8.161 1.00 5.23 C ATOM 341 CG LYS A 20 25.028 20.893 -9.569 1.00 42.24 C ATOM 342 CD LYS A 20 25.254 19.391 -9.560 1.00 32.43 C ATOM 343 CE LYS A 20 26.572 19.029 -8.893 1.00 1.22 C ATOM 344 NZ LYS A 20 27.722 19.742 -9.515 1.00 62.30 N ATOM 0 H LYS A 20 22.006 20.309 -8.552 1.00 72.41 H new ATOM 0 HA LYS A 20 23.729 19.920 -7.206 1.00 22.31 H new ATOM 0 HB2 LYS A 20 24.906 22.536 -8.207 1.00 5.23 H new ATOM 0 HB3 LYS A 20 25.778 21.149 -7.584 1.00 5.23 H new ATOM 0 HG2 LYS A 20 24.124 21.122 -10.133 1.00 42.24 H new ATOM 0 HG3 LYS A 20 25.856 21.383 -10.081 1.00 42.24 H new ATOM 0 HD2 LYS A 20 24.433 18.902 -9.035 1.00 32.43 H new ATOM 0 HD3 LYS A 20 25.248 19.015 -10.583 1.00 32.43 H new ATOM 0 HE2 LYS A 20 26.522 19.276 -7.832 1.00 1.22 H new ATOM 0 HE3 LYS A 20 26.731 17.953 -8.963 1.00 1.22 H new ATOM 0 HZ1 LYS A 20 28.611 19.292 -9.218 1.00 62.30 H new ATOM 0 HZ2 LYS A 20 27.640 19.696 -10.551 1.00 62.30 H new ATOM 0 HZ3 LYS A 20 27.719 20.737 -9.211 1.00 62.30 H new ATOM 358 N LYS A 21 22.253 21.968 -5.702 1.00 21.13 N ATOM 359 CA LYS A 21 21.976 22.680 -4.460 1.00 40.10 C ATOM 360 C LYS A 21 21.890 21.712 -3.285 1.00 23.43 C ATOM 361 O LYS A 21 22.130 20.513 -3.435 1.00 40.01 O ATOM 362 CB LYS A 21 20.670 23.469 -4.581 1.00 22.11 C ATOM 363 CG LYS A 21 20.873 24.972 -4.665 1.00 60.21 C ATOM 364 CD LYS A 21 20.308 25.539 -5.957 1.00 4.23 C ATOM 365 CE LYS A 21 18.810 25.302 -6.061 1.00 54.33 C ATOM 366 NZ LYS A 21 18.047 26.581 -6.093 1.00 32.13 N ATOM 0 H LYS A 21 21.421 21.668 -6.210 1.00 21.13 H new ATOM 0 HA LYS A 21 22.797 23.373 -4.277 1.00 40.10 H new ATOM 0 HB2 LYS A 21 20.133 23.133 -5.468 1.00 22.11 H new ATOM 0 HB3 LYS A 21 20.038 23.244 -3.722 1.00 22.11 H new ATOM 0 HG2 LYS A 21 20.391 25.453 -3.814 1.00 60.21 H new ATOM 0 HG3 LYS A 21 21.937 25.201 -4.601 1.00 60.21 H new ATOM 0 HD2 LYS A 21 20.513 26.608 -6.006 1.00 4.23 H new ATOM 0 HD3 LYS A 21 20.810 25.079 -6.808 1.00 4.23 H new ATOM 0 HE2 LYS A 21 18.595 24.728 -6.962 1.00 54.33 H new ATOM 0 HE3 LYS A 21 18.478 24.702 -5.214 1.00 54.33 H new ATOM 0 HZ1 LYS A 21 17.103 26.433 -5.682 1.00 32.13 H new ATOM 0 HZ2 LYS A 21 18.555 27.302 -5.542 1.00 32.13 H new ATOM 0 HZ3 LYS A 21 17.949 26.902 -7.077 1.00 32.13 H new ATOM 380 N THR A 22 21.545 22.238 -2.114 1.00 3.13 N ATOM 381 CA THR A 22 21.427 21.420 -0.913 1.00 44.31 C ATOM 382 C THR A 22 19.984 20.989 -0.681 1.00 52.21 C ATOM 383 O THR A 22 19.051 21.608 -1.192 1.00 54.24 O ATOM 384 CB THR A 22 21.933 22.174 0.332 1.00 75.12 C ATOM 385 OG1 THR A 22 20.976 23.163 0.728 1.00 74.15 O ATOM 386 CG2 THR A 22 23.272 22.839 0.055 1.00 42.41 C ATOM 0 H THR A 22 21.342 23.227 -1.972 1.00 3.13 H new ATOM 0 HA THR A 22 22.046 20.537 -1.070 1.00 44.31 H new ATOM 0 HB THR A 22 22.064 21.452 1.138 1.00 75.12 H new ATOM 0 HG1 THR A 22 21.304 23.637 1.521 1.00 74.15 H new ATOM 0 HG21 THR A 22 23.609 23.365 0.948 1.00 42.41 H new ATOM 0 HG22 THR A 22 24.006 22.080 -0.218 1.00 42.41 H new ATOM 0 HG23 THR A 22 23.163 23.549 -0.765 1.00 42.41 H new ATOM 394 N VAL A 23 19.806 19.924 0.094 1.00 64.11 N ATOM 395 CA VAL A 23 18.475 19.411 0.395 1.00 24.14 C ATOM 396 C VAL A 23 17.568 20.515 0.927 1.00 24.12 C ATOM 397 O VAL A 23 16.350 20.465 0.760 1.00 13.31 O ATOM 398 CB VAL A 23 18.534 18.269 1.427 1.00 24.31 C ATOM 399 CG1 VAL A 23 19.021 16.984 0.774 1.00 31.13 C ATOM 400 CG2 VAL A 23 19.428 18.654 2.597 1.00 72.53 C ATOM 0 H VAL A 23 20.567 19.400 0.525 1.00 64.11 H new ATOM 0 HA VAL A 23 18.065 19.026 -0.539 1.00 24.14 H new ATOM 0 HB VAL A 23 17.528 18.096 1.809 1.00 24.31 H new ATOM 0 HG11 VAL A 23 19.056 16.188 1.518 1.00 31.13 H new ATOM 0 HG12 VAL A 23 18.338 16.701 -0.027 1.00 31.13 H new ATOM 0 HG13 VAL A 23 20.018 17.140 0.362 1.00 31.13 H new ATOM 0 HG21 VAL A 23 19.458 17.836 3.316 1.00 72.53 H new ATOM 0 HG22 VAL A 23 20.436 18.855 2.234 1.00 72.53 H new ATOM 0 HG23 VAL A 23 19.031 19.547 3.080 1.00 72.53 H new ATOM 410 N ARG A 24 18.171 21.511 1.568 1.00 42.01 N ATOM 411 CA ARG A 24 17.418 22.628 2.125 1.00 33.11 C ATOM 412 C ARG A 24 16.808 23.480 1.016 1.00 63.03 C ATOM 413 O ARG A 24 15.700 23.998 1.154 1.00 3.31 O ATOM 414 CB ARG A 24 18.322 23.491 3.008 1.00 75.24 C ATOM 415 CG ARG A 24 17.981 23.414 4.487 1.00 65.10 C ATOM 416 CD ARG A 24 18.940 22.498 5.232 1.00 71.11 C ATOM 417 NE ARG A 24 20.180 23.180 5.592 1.00 30.04 N ATOM 418 CZ ARG A 24 20.300 23.976 6.649 1.00 44.21 C ATOM 419 NH1 ARG A 24 19.262 24.189 7.445 1.00 74.12 N ATOM 420 NH2 ARG A 24 21.462 24.561 6.911 1.00 1.32 N ATOM 0 H ARG A 24 19.179 21.567 1.714 1.00 42.01 H new ATOM 0 HA ARG A 24 16.610 22.221 2.733 1.00 33.11 H new ATOM 0 HB2 ARG A 24 19.357 23.181 2.866 1.00 75.24 H new ATOM 0 HB3 ARG A 24 18.252 24.528 2.681 1.00 75.24 H new ATOM 0 HG2 ARG A 24 18.017 24.413 4.923 1.00 65.10 H new ATOM 0 HG3 ARG A 24 16.961 23.050 4.608 1.00 65.10 H new ATOM 0 HD2 ARG A 24 18.457 22.124 6.135 1.00 71.11 H new ATOM 0 HD3 ARG A 24 19.170 21.632 4.611 1.00 71.11 H new ATOM 0 HE ARG A 24 20.998 23.038 5.000 1.00 30.04 H new ATOM 0 HH11 ARG A 24 18.367 23.741 7.247 1.00 74.12 H new ATOM 0 HH12 ARG A 24 19.358 24.801 8.256 1.00 74.12 H new ATOM 0 HH21 ARG A 24 22.263 24.400 6.301 1.00 1.32 H new ATOM 0 HH22 ARG A 24 21.554 25.172 7.723 1.00 1.32 H new ATOM 434 N VAL A 25 17.540 23.621 -0.085 1.00 3.00 N ATOM 435 CA VAL A 25 17.072 24.410 -1.219 1.00 22.45 C ATOM 436 C VAL A 25 16.206 23.571 -2.151 1.00 70.43 C ATOM 437 O VAL A 25 15.326 24.094 -2.835 1.00 74.20 O ATOM 438 CB VAL A 25 18.250 24.996 -2.019 1.00 3.12 C ATOM 439 CG1 VAL A 25 17.749 25.983 -3.062 1.00 74.32 C ATOM 440 CG2 VAL A 25 19.251 25.659 -1.084 1.00 63.44 C ATOM 0 H VAL A 25 18.459 23.199 -0.216 1.00 3.00 H new ATOM 0 HA VAL A 25 16.477 25.228 -0.812 1.00 22.45 H new ATOM 0 HB VAL A 25 18.755 24.181 -2.538 1.00 3.12 H new ATOM 0 HG11 VAL A 25 18.596 26.387 -3.617 1.00 74.32 H new ATOM 0 HG12 VAL A 25 17.073 25.474 -3.750 1.00 74.32 H new ATOM 0 HG13 VAL A 25 17.218 26.797 -2.568 1.00 74.32 H new ATOM 0 HG21 VAL A 25 20.077 26.068 -1.666 1.00 63.44 H new ATOM 0 HG22 VAL A 25 18.760 26.463 -0.536 1.00 63.44 H new ATOM 0 HG23 VAL A 25 19.634 24.921 -0.379 1.00 63.44 H new ATOM 450 N ILE A 26 16.461 22.267 -2.174 1.00 22.14 N ATOM 451 CA ILE A 26 15.703 21.355 -3.022 1.00 4.05 C ATOM 452 C ILE A 26 14.370 20.988 -2.380 1.00 14.11 C ATOM 453 O ILE A 26 13.385 20.735 -3.073 1.00 13.22 O ATOM 454 CB ILE A 26 16.494 20.065 -3.309 1.00 2.12 C ATOM 455 CG1 ILE A 26 17.807 20.394 -4.022 1.00 3.00 C ATOM 456 CG2 ILE A 26 15.658 19.106 -4.143 1.00 21.12 C ATOM 457 CD1 ILE A 26 19.016 19.732 -3.398 1.00 40.31 C ATOM 0 H ILE A 26 17.187 21.818 -1.615 1.00 22.14 H new ATOM 0 HA ILE A 26 15.520 21.876 -3.962 1.00 4.05 H new ATOM 0 HB ILE A 26 16.729 19.581 -2.361 1.00 2.12 H new ATOM 0 HG12 ILE A 26 17.732 20.086 -5.065 1.00 3.00 H new ATOM 0 HG13 ILE A 26 17.952 21.474 -4.019 1.00 3.00 H new ATOM 0 HG21 ILE A 26 16.230 18.199 -4.338 1.00 21.12 H new ATOM 0 HG22 ILE A 26 14.747 18.851 -3.601 1.00 21.12 H new ATOM 0 HG23 ILE A 26 15.396 19.580 -5.089 1.00 21.12 H new ATOM 0 HD11 ILE A 26 19.911 20.010 -3.955 1.00 40.31 H new ATOM 0 HD12 ILE A 26 19.116 20.059 -2.363 1.00 40.31 H new ATOM 0 HD13 ILE A 26 18.893 18.649 -3.426 1.00 40.31 H new ATOM 469 N ALA A 27 14.345 20.963 -1.051 1.00 64.13 N ATOM 470 CA ALA A 27 13.132 20.631 -0.316 1.00 33.15 C ATOM 471 C ALA A 27 12.124 21.774 -0.374 1.00 42.03 C ATOM 472 O ALA A 27 10.958 21.571 -0.713 1.00 50.00 O ATOM 473 CB ALA A 27 13.466 20.294 1.130 1.00 64.41 C ATOM 0 H ALA A 27 15.152 21.169 -0.462 1.00 64.13 H new ATOM 0 HA ALA A 27 12.680 19.758 -0.787 1.00 33.15 H new ATOM 0 HB1 ALA A 27 12.550 20.048 1.667 1.00 64.41 H new ATOM 0 HB2 ALA A 27 14.143 19.440 1.158 1.00 64.41 H new ATOM 0 HB3 ALA A 27 13.944 21.152 1.602 1.00 64.41 H new ATOM 479 N LYS A 28 12.581 22.977 -0.042 1.00 32.33 N ATOM 480 CA LYS A 28 11.720 24.154 -0.057 1.00 21.52 C ATOM 481 C LYS A 28 10.996 24.281 -1.393 1.00 60.13 C ATOM 482 O LYS A 28 9.881 24.796 -1.458 1.00 15.32 O ATOM 483 CB LYS A 28 12.543 25.416 0.212 1.00 34.20 C ATOM 484 CG LYS A 28 13.731 25.577 -0.720 1.00 11.40 C ATOM 485 CD LYS A 28 13.342 26.298 -2.000 1.00 73.41 C ATOM 486 CE LYS A 28 13.858 27.728 -2.014 1.00 1.22 C ATOM 487 NZ LYS A 28 13.734 28.350 -3.361 1.00 75.02 N ATOM 0 H LYS A 28 13.543 23.162 0.241 1.00 32.33 H new ATOM 0 HA LYS A 28 10.975 24.039 0.730 1.00 21.52 H new ATOM 0 HB2 LYS A 28 11.896 26.288 0.117 1.00 34.20 H new ATOM 0 HB3 LYS A 28 12.900 25.394 1.242 1.00 34.20 H new ATOM 0 HG2 LYS A 28 14.519 26.133 -0.213 1.00 11.40 H new ATOM 0 HG3 LYS A 28 14.139 24.596 -0.964 1.00 11.40 H new ATOM 0 HD2 LYS A 28 13.741 25.758 -2.859 1.00 73.41 H new ATOM 0 HD3 LYS A 28 12.257 26.301 -2.102 1.00 73.41 H new ATOM 0 HE2 LYS A 28 13.303 28.321 -1.288 1.00 1.22 H new ATOM 0 HE3 LYS A 28 14.903 27.740 -1.703 1.00 1.22 H new ATOM 0 HZ1 LYS A 28 14.097 29.324 -3.328 1.00 75.02 H new ATOM 0 HZ2 LYS A 28 14.284 27.799 -4.050 1.00 75.02 H new ATOM 0 HZ3 LYS A 28 12.734 28.362 -3.647 1.00 75.02 H new ATOM 501 N GLU A 29 11.638 23.807 -2.457 1.00 33.34 N ATOM 502 CA GLU A 29 11.053 23.868 -3.791 1.00 30.10 C ATOM 503 C GLU A 29 9.835 22.954 -3.894 1.00 23.12 C ATOM 504 O GLU A 29 8.846 23.290 -4.546 1.00 24.40 O ATOM 505 CB GLU A 29 12.090 23.474 -4.845 1.00 0.50 C ATOM 506 CG GLU A 29 13.102 24.569 -5.141 1.00 72.45 C ATOM 507 CD GLU A 29 13.184 24.903 -6.618 1.00 74.02 C ATOM 508 OE1 GLU A 29 12.919 24.006 -7.446 1.00 3.12 O ATOM 509 OE2 GLU A 29 13.512 26.063 -6.946 1.00 32.41 O ATOM 0 H GLU A 29 12.562 23.377 -2.421 1.00 33.34 H new ATOM 0 HA GLU A 29 10.732 24.894 -3.972 1.00 30.10 H new ATOM 0 HB2 GLU A 29 12.619 22.583 -4.507 1.00 0.50 H new ATOM 0 HB3 GLU A 29 11.575 23.208 -5.768 1.00 0.50 H new ATOM 0 HG2 GLU A 29 12.834 25.467 -4.584 1.00 72.45 H new ATOM 0 HG3 GLU A 29 14.085 24.256 -4.788 1.00 72.45 H new ATOM 516 N PHE A 30 9.915 21.797 -3.246 1.00 21.45 N ATOM 517 CA PHE A 30 8.821 20.833 -3.265 1.00 21.43 C ATOM 518 C PHE A 30 7.764 21.189 -2.224 1.00 32.02 C ATOM 519 O PHE A 30 6.601 20.808 -2.349 1.00 32.34 O ATOM 520 CB PHE A 30 9.352 19.421 -3.006 1.00 4.21 C ATOM 521 CG PHE A 30 9.978 18.785 -4.214 1.00 40.33 C ATOM 522 CD1 PHE A 30 11.085 19.358 -4.820 1.00 31.31 C ATOM 523 CD2 PHE A 30 9.459 17.615 -4.745 1.00 12.32 C ATOM 524 CE1 PHE A 30 11.663 18.775 -5.932 1.00 24.12 C ATOM 525 CE2 PHE A 30 10.033 17.028 -5.856 1.00 62.21 C ATOM 526 CZ PHE A 30 11.136 17.609 -6.451 1.00 60.11 C ATOM 0 H PHE A 30 10.726 21.504 -2.701 1.00 21.45 H new ATOM 0 HA PHE A 30 8.359 20.865 -4.252 1.00 21.43 H new ATOM 0 HB2 PHE A 30 10.088 19.460 -2.203 1.00 4.21 H new ATOM 0 HB3 PHE A 30 8.533 18.792 -2.657 1.00 4.21 H new ATOM 0 HD1 PHE A 30 11.501 20.270 -4.419 1.00 31.31 H new ATOM 0 HD2 PHE A 30 8.596 17.157 -4.285 1.00 12.32 H new ATOM 0 HE1 PHE A 30 12.526 19.231 -6.394 1.00 24.12 H new ATOM 0 HE2 PHE A 30 9.620 16.115 -6.259 1.00 62.21 H new ATOM 0 HZ PHE A 30 11.585 17.152 -7.320 1.00 60.11 H new ATOM 536 N GLY A 31 8.178 21.923 -1.195 1.00 51.35 N ATOM 537 CA GLY A 31 7.256 22.319 -0.147 1.00 74.32 C ATOM 538 C GLY A 31 7.258 21.353 1.021 1.00 14.24 C ATOM 539 O GLY A 31 6.217 21.100 1.628 1.00 20.54 O ATOM 0 H GLY A 31 9.136 22.250 -1.069 1.00 51.35 H new ATOM 0 HA2 GLY A 31 7.521 23.315 0.208 1.00 74.32 H new ATOM 0 HA3 GLY A 31 6.249 22.385 -0.559 1.00 74.32 H new ATOM 543 N VAL A 32 8.430 20.811 1.337 1.00 15.12 N ATOM 544 CA VAL A 32 8.563 19.867 2.441 1.00 53.35 C ATOM 545 C VAL A 32 9.800 20.171 3.277 1.00 4.22 C ATOM 546 O VAL A 32 10.652 20.965 2.878 1.00 25.03 O ATOM 547 CB VAL A 32 8.645 18.416 1.931 1.00 53.21 C ATOM 548 CG1 VAL A 32 7.281 17.939 1.455 1.00 12.24 C ATOM 549 CG2 VAL A 32 9.677 18.300 0.819 1.00 33.34 C ATOM 0 H VAL A 32 9.301 21.009 0.844 1.00 15.12 H new ATOM 0 HA VAL A 32 7.673 19.977 3.061 1.00 53.35 H new ATOM 0 HB VAL A 32 8.959 17.777 2.756 1.00 53.21 H new ATOM 0 HG11 VAL A 32 7.359 16.912 1.098 1.00 12.24 H new ATOM 0 HG12 VAL A 32 6.571 17.983 2.281 1.00 12.24 H new ATOM 0 HG13 VAL A 32 6.934 18.579 0.644 1.00 12.24 H new ATOM 0 HG21 VAL A 32 9.722 17.268 0.470 1.00 33.34 H new ATOM 0 HG22 VAL A 32 9.395 18.951 -0.009 1.00 33.34 H new ATOM 0 HG23 VAL A 32 10.655 18.598 1.198 1.00 33.34 H new ATOM 559 N SER A 33 9.893 19.534 4.440 1.00 61.21 N ATOM 560 CA SER A 33 11.026 19.738 5.336 1.00 54.15 C ATOM 561 C SER A 33 12.185 18.820 4.963 1.00 65.22 C ATOM 562 O SER A 33 11.982 17.722 4.445 1.00 61.42 O ATOM 563 CB SER A 33 10.608 19.488 6.786 1.00 73.32 C ATOM 564 OG SER A 33 9.860 18.289 6.901 1.00 1.45 O ATOM 0 H SER A 33 9.197 18.872 4.784 1.00 61.21 H new ATOM 0 HA SER A 33 11.357 20.772 5.234 1.00 54.15 H new ATOM 0 HB2 SER A 33 11.494 19.430 7.418 1.00 73.32 H new ATOM 0 HB3 SER A 33 10.013 20.327 7.146 1.00 73.32 H new ATOM 0 HG SER A 33 9.606 18.150 7.837 1.00 1.45 H new ATOM 570 N LYS A 34 13.404 19.278 5.230 1.00 32.33 N ATOM 571 CA LYS A 34 14.598 18.499 4.925 1.00 3.23 C ATOM 572 C LYS A 34 14.502 17.099 5.522 1.00 22.22 C ATOM 573 O LYS A 34 14.943 16.123 4.914 1.00 12.24 O ATOM 574 CB LYS A 34 15.845 19.209 5.460 1.00 74.52 C ATOM 575 CG LYS A 34 15.930 20.672 5.061 1.00 60.54 C ATOM 576 CD LYS A 34 15.542 21.587 6.210 1.00 60.31 C ATOM 577 CE LYS A 34 14.452 22.565 5.800 1.00 74.42 C ATOM 578 NZ LYS A 34 14.728 23.942 6.293 1.00 43.45 N ATOM 0 H LYS A 34 13.591 20.185 5.657 1.00 32.33 H new ATOM 0 HA LYS A 34 14.675 18.408 3.842 1.00 3.23 H new ATOM 0 HB2 LYS A 34 15.856 19.136 6.548 1.00 74.52 H new ATOM 0 HB3 LYS A 34 16.732 18.690 5.097 1.00 74.52 H new ATOM 0 HG2 LYS A 34 16.945 20.903 4.737 1.00 60.54 H new ATOM 0 HG3 LYS A 34 15.274 20.857 4.210 1.00 60.54 H new ATOM 0 HD2 LYS A 34 15.197 20.988 7.053 1.00 60.31 H new ATOM 0 HD3 LYS A 34 16.419 22.139 6.549 1.00 60.31 H new ATOM 0 HE2 LYS A 34 14.366 22.579 4.713 1.00 74.42 H new ATOM 0 HE3 LYS A 34 13.493 22.225 6.191 1.00 74.42 H new ATOM 0 HZ1 LYS A 34 13.962 24.578 5.993 1.00 43.45 H new ATOM 0 HZ2 LYS A 34 14.784 23.934 7.331 1.00 43.45 H new ATOM 0 HZ3 LYS A 34 15.631 24.277 5.900 1.00 43.45 H new ATOM 592 N SER A 35 13.922 17.007 6.715 1.00 44.23 N ATOM 593 CA SER A 35 13.771 15.726 7.395 1.00 54.15 C ATOM 594 C SER A 35 12.879 14.786 6.589 1.00 11.00 C ATOM 595 O SER A 35 13.048 13.567 6.626 1.00 74.32 O ATOM 596 CB SER A 35 13.183 15.933 8.792 1.00 74.33 C ATOM 597 OG SER A 35 13.463 14.826 9.632 1.00 54.15 O ATOM 0 H SER A 35 13.549 17.804 7.230 1.00 44.23 H new ATOM 0 HA SER A 35 14.758 15.272 7.488 1.00 54.15 H new ATOM 0 HB2 SER A 35 13.595 16.841 9.232 1.00 74.33 H new ATOM 0 HB3 SER A 35 12.105 16.075 8.719 1.00 74.33 H new ATOM 0 HG SER A 35 13.078 14.983 10.519 1.00 54.15 H new ATOM 603 N THR A 36 11.928 15.362 5.861 1.00 55.14 N ATOM 604 CA THR A 36 11.008 14.578 5.047 1.00 74.33 C ATOM 605 C THR A 36 11.656 14.159 3.732 1.00 2.42 C ATOM 606 O THR A 36 11.446 13.046 3.251 1.00 22.34 O ATOM 607 CB THR A 36 9.718 15.363 4.743 1.00 75.45 C ATOM 608 OG1 THR A 36 9.075 15.742 5.965 1.00 71.52 O ATOM 609 CG2 THR A 36 8.764 14.530 3.899 1.00 32.02 C ATOM 0 H THR A 36 11.775 16.370 5.819 1.00 55.14 H new ATOM 0 HA THR A 36 10.756 13.688 5.624 1.00 74.33 H new ATOM 0 HB THR A 36 9.987 16.258 4.182 1.00 75.45 H new ATOM 0 HG1 THR A 36 9.388 16.630 6.238 1.00 71.52 H new ATOM 0 HG21 THR A 36 7.860 15.105 3.697 1.00 32.02 H new ATOM 0 HG22 THR A 36 9.246 14.268 2.957 1.00 32.02 H new ATOM 0 HG23 THR A 36 8.502 13.619 4.438 1.00 32.02 H new ATOM 617 N VAL A 37 12.446 15.059 3.155 1.00 64.02 N ATOM 618 CA VAL A 37 13.128 14.782 1.896 1.00 51.11 C ATOM 619 C VAL A 37 14.242 13.759 2.087 1.00 11.15 C ATOM 620 O VAL A 37 14.224 12.685 1.485 1.00 51.30 O ATOM 621 CB VAL A 37 13.723 16.065 1.286 1.00 62.00 C ATOM 622 CG1 VAL A 37 14.463 15.749 -0.005 1.00 2.11 C ATOM 623 CG2 VAL A 37 12.631 17.096 1.045 1.00 2.55 C ATOM 0 H VAL A 37 12.630 15.986 3.539 1.00 64.02 H new ATOM 0 HA VAL A 37 12.380 14.377 1.214 1.00 51.11 H new ATOM 0 HB VAL A 37 14.438 16.485 1.993 1.00 62.00 H new ATOM 0 HG11 VAL A 37 14.877 16.667 -0.422 1.00 2.11 H new ATOM 0 HG12 VAL A 37 15.272 15.048 0.201 1.00 2.11 H new ATOM 0 HG13 VAL A 37 13.772 15.305 -0.721 1.00 2.11 H new ATOM 0 HG21 VAL A 37 13.069 17.996 0.614 1.00 2.55 H new ATOM 0 HG22 VAL A 37 11.890 16.688 0.357 1.00 2.55 H new ATOM 0 HG23 VAL A 37 12.150 17.344 1.991 1.00 2.55 H new ATOM 633 N HIS A 38 15.211 14.099 2.931 1.00 4.11 N ATOM 634 CA HIS A 38 16.335 13.209 3.203 1.00 14.35 C ATOM 635 C HIS A 38 15.844 11.821 3.603 1.00 55.12 C ATOM 636 O HIS A 38 16.532 10.822 3.391 1.00 53.53 O ATOM 637 CB HIS A 38 17.215 13.789 4.310 1.00 3.55 C ATOM 638 CG HIS A 38 18.498 14.378 3.809 1.00 51.11 C ATOM 639 ND1 HIS A 38 19.095 15.481 4.382 1.00 13.11 N ATOM 640 CD2 HIS A 38 19.299 14.010 2.782 1.00 22.41 C ATOM 641 CE1 HIS A 38 20.207 15.767 3.729 1.00 73.34 C ATOM 642 NE2 HIS A 38 20.354 14.888 2.753 1.00 0.42 N ATOM 0 H HIS A 38 15.241 14.983 3.438 1.00 4.11 H new ATOM 0 HA HIS A 38 16.924 13.118 2.290 1.00 14.35 H new ATOM 0 HB2 HIS A 38 16.655 14.558 4.842 1.00 3.55 H new ATOM 0 HB3 HIS A 38 17.442 13.004 5.031 1.00 3.55 H new ATOM 0 HD1 HIS A 38 18.734 15.996 5.185 1.00 13.11 H new ATOM 0 HD2 HIS A 38 19.138 13.180 2.110 1.00 22.41 H new ATOM 0 HE1 HIS A 38 20.881 16.580 3.954 1.00 73.34 H new ATOM 650 N LYS A 39 14.649 11.765 4.183 1.00 44.41 N ATOM 651 CA LYS A 39 14.065 10.500 4.612 1.00 51.41 C ATOM 652 C LYS A 39 13.889 9.553 3.429 1.00 4.32 C ATOM 653 O LYS A 39 14.300 8.394 3.484 1.00 62.00 O ATOM 654 CB LYS A 39 12.714 10.743 5.289 1.00 23.15 C ATOM 655 CG LYS A 39 11.982 9.465 5.660 1.00 13.02 C ATOM 656 CD LYS A 39 11.187 9.630 6.945 1.00 41.43 C ATOM 657 CE LYS A 39 11.425 8.471 7.900 1.00 11.34 C ATOM 658 NZ LYS A 39 10.336 7.458 7.826 1.00 51.34 N ATOM 0 H LYS A 39 14.066 12.582 4.367 1.00 44.41 H new ATOM 0 HA LYS A 39 14.746 10.038 5.327 1.00 51.41 H new ATOM 0 HB2 LYS A 39 12.870 11.337 6.189 1.00 23.15 H new ATOM 0 HB3 LYS A 39 12.084 11.333 4.623 1.00 23.15 H new ATOM 0 HG2 LYS A 39 11.311 9.181 4.850 1.00 13.02 H new ATOM 0 HG3 LYS A 39 12.701 8.654 5.777 1.00 13.02 H new ATOM 0 HD2 LYS A 39 11.467 10.565 7.430 1.00 41.43 H new ATOM 0 HD3 LYS A 39 10.125 9.698 6.711 1.00 41.43 H new ATOM 0 HE2 LYS A 39 12.378 7.997 7.665 1.00 11.34 H new ATOM 0 HE3 LYS A 39 11.500 8.850 8.919 1.00 11.34 H new ATOM 0 HZ1 LYS A 39 10.536 6.684 8.492 1.00 51.34 H new ATOM 0 HZ2 LYS A 39 9.430 7.904 8.075 1.00 51.34 H new ATOM 0 HZ3 LYS A 39 10.281 7.077 6.860 1.00 51.34 H new ATOM 672 N ASP A 40 13.279 10.055 2.361 1.00 34.43 N ATOM 673 CA ASP A 40 13.051 9.254 1.164 1.00 24.41 C ATOM 674 C ASP A 40 14.292 9.240 0.276 1.00 32.31 C ATOM 675 O ASP A 40 14.593 8.237 -0.372 1.00 61.41 O ATOM 676 CB ASP A 40 11.855 9.796 0.381 1.00 34.13 C ATOM 677 CG ASP A 40 10.602 9.891 1.230 1.00 23.05 C ATOM 678 OD1 ASP A 40 10.294 8.914 1.946 1.00 43.34 O ATOM 679 OD2 ASP A 40 9.931 10.942 1.181 1.00 53.42 O ATOM 0 H ASP A 40 12.934 11.013 2.300 1.00 34.43 H new ATOM 0 HA ASP A 40 12.837 8.232 1.476 1.00 24.41 H new ATOM 0 HB2 ASP A 40 12.099 10.783 -0.013 1.00 34.13 H new ATOM 0 HB3 ASP A 40 11.662 9.150 -0.475 1.00 34.13 H new ATOM 684 N LEU A 41 15.007 10.359 0.250 1.00 30.22 N ATOM 685 CA LEU A 41 16.215 10.476 -0.559 1.00 52.34 C ATOM 686 C LEU A 41 17.256 9.445 -0.137 1.00 70.30 C ATOM 687 O LEU A 41 18.185 9.141 -0.886 1.00 3.20 O ATOM 688 CB LEU A 41 16.798 11.885 -0.439 1.00 2.32 C ATOM 689 CG LEU A 41 16.246 12.926 -1.414 1.00 24.11 C ATOM 690 CD1 LEU A 41 17.066 12.944 -2.695 1.00 54.11 C ATOM 691 CD2 LEU A 41 14.782 12.647 -1.719 1.00 51.01 C ATOM 0 H LEU A 41 14.771 11.198 0.780 1.00 30.22 H new ATOM 0 HA LEU A 41 15.946 10.288 -1.598 1.00 52.34 H new ATOM 0 HB2 LEU A 41 16.627 12.242 0.577 1.00 2.32 H new ATOM 0 HB3 LEU A 41 17.877 11.823 -0.578 1.00 2.32 H new ATOM 0 HG LEU A 41 16.318 13.908 -0.947 1.00 24.11 H new ATOM 0 HD11 LEU A 41 16.659 13.690 -3.377 1.00 54.11 H new ATOM 0 HD12 LEU A 41 18.101 13.192 -2.461 1.00 54.11 H new ATOM 0 HD13 LEU A 41 17.026 11.962 -3.166 1.00 54.11 H new ATOM 0 HD21 LEU A 41 14.406 13.397 -2.414 1.00 51.01 H new ATOM 0 HD22 LEU A 41 14.686 11.658 -2.166 1.00 51.01 H new ATOM 0 HD23 LEU A 41 14.204 12.686 -0.796 1.00 51.01 H new ATOM 703 N THR A 42 17.093 8.906 1.068 1.00 44.33 N ATOM 704 CA THR A 42 18.018 7.908 1.590 1.00 60.03 C ATOM 705 C THR A 42 17.314 6.576 1.825 1.00 42.40 C ATOM 706 O THR A 42 17.919 5.623 2.315 1.00 53.14 O ATOM 707 CB THR A 42 18.663 8.375 2.908 1.00 20.23 C ATOM 708 OG1 THR A 42 17.664 8.493 3.927 1.00 20.14 O ATOM 709 CG2 THR A 42 19.367 9.711 2.723 1.00 35.24 C ATOM 0 H THR A 42 16.329 9.144 1.700 1.00 44.33 H new ATOM 0 HA THR A 42 18.798 7.776 0.840 1.00 60.03 H new ATOM 0 HB THR A 42 19.402 7.632 3.208 1.00 20.23 H new ATOM 0 HG1 THR A 42 17.347 9.419 3.969 1.00 20.14 H new ATOM 0 HG21 THR A 42 19.815 10.020 3.667 1.00 35.24 H new ATOM 0 HG22 THR A 42 20.146 9.610 1.968 1.00 35.24 H new ATOM 0 HG23 THR A 42 18.645 10.461 2.401 1.00 35.24 H new ATOM 717 N GLU A 43 16.034 6.519 1.472 1.00 33.43 N ATOM 718 CA GLU A 43 15.248 5.302 1.646 1.00 44.31 C ATOM 719 C GLU A 43 14.681 4.826 0.312 1.00 64.32 C ATOM 720 O GLU A 43 15.160 3.849 -0.265 1.00 20.23 O ATOM 721 CB GLU A 43 14.110 5.541 2.640 1.00 2.22 C ATOM 722 CG GLU A 43 14.565 5.576 4.089 1.00 3.44 C ATOM 723 CD GLU A 43 14.806 4.192 4.659 1.00 31.11 C ATOM 724 OE1 GLU A 43 13.818 3.516 5.014 1.00 71.43 O ATOM 725 OE2 GLU A 43 15.983 3.785 4.750 1.00 61.21 O ATOM 0 H GLU A 43 15.519 7.300 1.064 1.00 33.43 H new ATOM 0 HA GLU A 43 15.907 4.527 2.039 1.00 44.31 H new ATOM 0 HB2 GLU A 43 13.620 6.485 2.399 1.00 2.22 H new ATOM 0 HB3 GLU A 43 13.364 4.755 2.521 1.00 2.22 H new ATOM 0 HG2 GLU A 43 15.482 6.160 4.164 1.00 3.44 H new ATOM 0 HG3 GLU A 43 13.812 6.086 4.690 1.00 3.44 H new ATOM 732 N ARG A 44 13.658 5.522 -0.172 1.00 44.34 N ATOM 733 CA ARG A 44 13.024 5.170 -1.437 1.00 64.01 C ATOM 734 C ARG A 44 13.951 5.470 -2.612 1.00 12.22 C ATOM 735 O ARG A 44 14.152 4.629 -3.489 1.00 32.22 O ATOM 736 CB ARG A 44 11.709 5.933 -1.603 1.00 2.42 C ATOM 737 CG ARG A 44 10.580 5.396 -0.739 1.00 1.34 C ATOM 738 CD ARG A 44 9.696 4.431 -1.513 1.00 41.53 C ATOM 739 NE ARG A 44 10.336 3.132 -1.699 1.00 33.21 N ATOM 740 CZ ARG A 44 10.473 2.235 -0.729 1.00 34.23 C ATOM 741 NH1 ARG A 44 10.017 2.495 0.489 1.00 54.43 N ATOM 742 NH2 ARG A 44 11.066 1.074 -0.976 1.00 2.05 N ATOM 0 H ARG A 44 13.250 6.333 0.293 1.00 44.34 H new ATOM 0 HA ARG A 44 12.816 4.100 -1.425 1.00 64.01 H new ATOM 0 HB2 ARG A 44 11.874 6.982 -1.359 1.00 2.42 H new ATOM 0 HB3 ARG A 44 11.405 5.893 -2.649 1.00 2.42 H new ATOM 0 HG2 ARG A 44 10.996 4.891 0.132 1.00 1.34 H new ATOM 0 HG3 ARG A 44 9.978 6.226 -0.369 1.00 1.34 H new ATOM 0 HD2 ARG A 44 8.753 4.298 -0.982 1.00 41.53 H new ATOM 0 HD3 ARG A 44 9.456 4.860 -2.486 1.00 41.53 H new ATOM 0 HE ARG A 44 10.698 2.901 -2.624 1.00 33.21 H new ATOM 0 HH11 ARG A 44 9.560 3.386 0.683 1.00 54.43 H new ATOM 0 HH12 ARG A 44 10.124 1.804 1.232 1.00 54.43 H new ATOM 0 HH21 ARG A 44 11.417 0.870 -1.912 1.00 2.05 H new ATOM 0 HH22 ARG A 44 11.171 0.386 -0.230 1.00 2.05 H new ATOM 756 N LEU A 45 14.512 6.674 -2.623 1.00 51.22 N ATOM 757 CA LEU A 45 15.417 7.086 -3.690 1.00 40.54 C ATOM 758 C LEU A 45 16.406 5.975 -4.025 1.00 61.34 C ATOM 759 O LEU A 45 16.483 5.499 -5.158 1.00 74.14 O ATOM 760 CB LEU A 45 16.174 8.352 -3.284 1.00 14.32 C ATOM 761 CG LEU A 45 17.553 8.541 -3.915 1.00 5.41 C ATOM 762 CD1 LEU A 45 17.484 8.342 -5.421 1.00 35.01 C ATOM 763 CD2 LEU A 45 18.108 9.919 -3.583 1.00 14.24 C ATOM 0 H LEU A 45 14.356 7.382 -1.905 1.00 51.22 H new ATOM 0 HA LEU A 45 14.820 7.296 -4.577 1.00 40.54 H new ATOM 0 HB2 LEU A 45 15.559 9.216 -3.537 1.00 14.32 H new ATOM 0 HB3 LEU A 45 16.290 8.350 -2.200 1.00 14.32 H new ATOM 0 HG LEU A 45 18.226 7.790 -3.500 1.00 5.41 H new ATOM 0 HD11 LEU A 45 18.475 8.481 -5.852 1.00 35.01 H new ATOM 0 HD12 LEU A 45 17.131 7.334 -5.639 1.00 35.01 H new ATOM 0 HD13 LEU A 45 16.796 9.069 -5.853 1.00 35.01 H new ATOM 0 HD21 LEU A 45 19.090 10.036 -4.041 1.00 14.24 H new ATOM 0 HD22 LEU A 45 17.435 10.685 -3.968 1.00 14.24 H new ATOM 0 HD23 LEU A 45 18.197 10.025 -2.502 1.00 14.24 H new ATOM 775 N PRO A 46 17.181 5.548 -3.017 1.00 71.02 N ATOM 776 CA PRO A 46 18.177 4.485 -3.180 1.00 3.14 C ATOM 777 C PRO A 46 17.537 3.118 -3.396 1.00 12.24 C ATOM 778 O PRO A 46 18.073 2.279 -4.118 1.00 41.24 O ATOM 779 CB PRO A 46 18.945 4.513 -1.855 1.00 74.34 C ATOM 780 CG PRO A 46 17.984 5.087 -0.873 1.00 15.24 C ATOM 781 CD PRO A 46 17.144 6.070 -1.641 1.00 33.03 C ATOM 0 HA PRO A 46 18.805 4.646 -4.056 1.00 3.14 H new ATOM 0 HB2 PRO A 46 19.262 3.513 -1.560 1.00 74.34 H new ATOM 0 HB3 PRO A 46 19.845 5.123 -1.932 1.00 74.34 H new ATOM 0 HG2 PRO A 46 17.365 4.306 -0.431 1.00 15.24 H new ATOM 0 HG3 PRO A 46 18.510 5.579 -0.054 1.00 15.24 H new ATOM 0 HD2 PRO A 46 16.125 6.115 -1.256 1.00 33.03 H new ATOM 0 HD3 PRO A 46 17.552 7.079 -1.583 1.00 33.03 H new ATOM 789 N GLU A 47 16.387 2.902 -2.765 1.00 12.15 N ATOM 790 CA GLU A 47 15.674 1.636 -2.889 1.00 23.14 C ATOM 791 C GLU A 47 15.274 1.376 -4.338 1.00 44.53 C ATOM 792 O GLU A 47 15.433 0.267 -4.848 1.00 31.34 O ATOM 793 CB GLU A 47 14.431 1.636 -1.997 1.00 73.51 C ATOM 794 CG GLU A 47 14.668 1.035 -0.622 1.00 2.55 C ATOM 795 CD GLU A 47 14.555 -0.477 -0.617 1.00 42.32 C ATOM 796 OE1 GLU A 47 13.645 -1.005 -1.290 1.00 44.14 O ATOM 797 OE2 GLU A 47 15.376 -1.132 0.059 1.00 54.41 O ATOM 0 H GLU A 47 15.930 3.587 -2.163 1.00 12.15 H new ATOM 0 HA GLU A 47 16.344 0.838 -2.567 1.00 23.14 H new ATOM 0 HB2 GLU A 47 14.078 2.661 -1.880 1.00 73.51 H new ATOM 0 HB3 GLU A 47 13.637 1.080 -2.495 1.00 73.51 H new ATOM 0 HG2 GLU A 47 15.659 1.322 -0.270 1.00 2.55 H new ATOM 0 HG3 GLU A 47 13.947 1.451 0.081 1.00 2.55 H new ATOM 804 N ILE A 48 14.755 2.408 -4.996 1.00 62.41 N ATOM 805 CA ILE A 48 14.333 2.292 -6.386 1.00 61.34 C ATOM 806 C ILE A 48 15.482 2.607 -7.338 1.00 24.11 C ATOM 807 O ILE A 48 15.519 2.118 -8.466 1.00 24.30 O ATOM 808 CB ILE A 48 13.153 3.231 -6.696 1.00 74.05 C ATOM 809 CG1 ILE A 48 13.488 4.664 -6.277 1.00 24.51 C ATOM 810 CG2 ILE A 48 11.893 2.749 -5.993 1.00 30.43 C ATOM 811 CD1 ILE A 48 13.243 5.685 -7.365 1.00 14.21 C ATOM 0 H ILE A 48 14.617 3.333 -4.589 1.00 62.41 H new ATOM 0 HA ILE A 48 14.015 1.260 -6.534 1.00 61.34 H new ATOM 0 HB ILE A 48 12.973 3.220 -7.771 1.00 74.05 H new ATOM 0 HG12 ILE A 48 12.892 4.927 -5.403 1.00 24.51 H new ATOM 0 HG13 ILE A 48 14.534 4.710 -5.976 1.00 24.51 H new ATOM 0 HG21 ILE A 48 11.068 3.423 -6.222 1.00 30.43 H new ATOM 0 HG22 ILE A 48 11.647 1.744 -6.336 1.00 30.43 H new ATOM 0 HG23 ILE A 48 12.061 2.733 -4.916 1.00 30.43 H new ATOM 0 HD11 ILE A 48 13.502 6.678 -6.997 1.00 14.21 H new ATOM 0 HD12 ILE A 48 13.859 5.447 -8.232 1.00 14.21 H new ATOM 0 HD13 ILE A 48 12.191 5.667 -7.651 1.00 14.21 H new ATOM 823 N ASN A 49 16.420 3.426 -6.873 1.00 41.34 N ATOM 824 CA ASN A 49 17.572 3.806 -7.683 1.00 3.12 C ATOM 825 C ASN A 49 18.788 4.082 -6.803 1.00 12.20 C ATOM 826 O ASN A 49 18.934 5.158 -6.223 1.00 41.54 O ATOM 827 CB ASN A 49 17.246 5.042 -8.524 1.00 1.04 C ATOM 828 CG ASN A 49 16.590 4.686 -9.844 1.00 2.41 C ATOM 829 OD1 ASN A 49 17.006 3.748 -10.523 1.00 72.42 O ATOM 830 ND2 ASN A 49 15.559 5.437 -10.213 1.00 43.54 N ATOM 0 H ASN A 49 16.405 3.839 -5.940 1.00 41.34 H new ATOM 0 HA ASN A 49 17.807 2.975 -8.348 1.00 3.12 H new ATOM 0 HB2 ASN A 49 16.585 5.699 -7.958 1.00 1.04 H new ATOM 0 HB3 ASN A 49 18.163 5.600 -8.716 1.00 1.04 H new ATOM 0 HD21 ASN A 49 15.077 5.246 -11.092 1.00 43.54 H new ATOM 0 HD22 ASN A 49 15.249 6.205 -9.618 1.00 43.54 H new ATOM 837 N PRO A 50 19.682 3.088 -6.700 1.00 61.24 N ATOM 838 CA PRO A 50 20.901 3.200 -5.895 1.00 25.25 C ATOM 839 C PRO A 50 21.908 4.174 -6.498 1.00 34.12 C ATOM 840 O PRO A 50 22.575 4.917 -5.778 1.00 11.11 O ATOM 841 CB PRO A 50 21.464 1.776 -5.903 1.00 3.30 C ATOM 842 CG PRO A 50 20.928 1.165 -7.151 1.00 64.52 C ATOM 843 CD PRO A 50 19.572 1.778 -7.364 1.00 31.34 C ATOM 0 HA PRO A 50 20.695 3.586 -4.897 1.00 25.25 H new ATOM 0 HB2 PRO A 50 22.554 1.781 -5.901 1.00 3.30 H new ATOM 0 HB3 PRO A 50 21.146 1.219 -5.021 1.00 3.30 H new ATOM 0 HG2 PRO A 50 21.585 1.367 -7.997 1.00 64.52 H new ATOM 0 HG3 PRO A 50 20.856 0.082 -7.055 1.00 64.52 H new ATOM 0 HD2 PRO A 50 19.340 1.883 -8.424 1.00 31.34 H new ATOM 0 HD3 PRO A 50 18.782 1.169 -6.924 1.00 31.34 H new ATOM 851 N ASP A 51 22.011 4.165 -7.822 1.00 42.51 N ATOM 852 CA ASP A 51 22.935 5.050 -8.522 1.00 62.15 C ATOM 853 C ASP A 51 22.554 6.512 -8.312 1.00 35.24 C ATOM 854 O ASP A 51 23.396 7.341 -7.964 1.00 33.54 O ATOM 855 CB ASP A 51 22.952 4.725 -10.017 1.00 22.21 C ATOM 856 CG ASP A 51 24.071 3.772 -10.390 1.00 1.25 C ATOM 857 OD1 ASP A 51 25.245 4.103 -10.123 1.00 1.33 O ATOM 858 OD2 ASP A 51 23.773 2.696 -10.949 1.00 31.13 O ATOM 0 H ASP A 51 21.467 3.555 -8.432 1.00 42.51 H new ATOM 0 HA ASP A 51 23.932 4.891 -8.111 1.00 62.15 H new ATOM 0 HB2 ASP A 51 21.995 4.287 -10.301 1.00 22.21 H new ATOM 0 HB3 ASP A 51 23.061 5.649 -10.585 1.00 22.21 H new ATOM 863 N LEU A 52 21.280 6.822 -8.525 1.00 74.13 N ATOM 864 CA LEU A 52 20.786 8.184 -8.360 1.00 13.54 C ATOM 865 C LEU A 52 20.914 8.637 -6.909 1.00 15.33 C ATOM 866 O LEU A 52 21.029 9.830 -6.628 1.00 61.02 O ATOM 867 CB LEU A 52 19.326 8.277 -8.808 1.00 21.11 C ATOM 868 CG LEU A 52 19.021 9.312 -9.891 1.00 70.14 C ATOM 869 CD1 LEU A 52 17.571 9.206 -10.337 1.00 51.32 C ATOM 870 CD2 LEU A 52 19.326 10.716 -9.389 1.00 34.41 C ATOM 0 H LEU A 52 20.570 6.148 -8.812 1.00 74.13 H new ATOM 0 HA LEU A 52 21.393 8.842 -8.982 1.00 13.54 H new ATOM 0 HB2 LEU A 52 19.015 7.298 -9.172 1.00 21.11 H new ATOM 0 HB3 LEU A 52 18.713 8.502 -7.935 1.00 21.11 H new ATOM 0 HG LEU A 52 19.660 9.109 -10.751 1.00 70.14 H new ATOM 0 HD11 LEU A 52 17.372 9.950 -11.108 1.00 51.32 H new ATOM 0 HD12 LEU A 52 17.386 8.210 -10.738 1.00 51.32 H new ATOM 0 HD13 LEU A 52 16.914 9.382 -9.485 1.00 51.32 H new ATOM 0 HD21 LEU A 52 19.103 11.439 -10.173 1.00 34.41 H new ATOM 0 HD22 LEU A 52 18.714 10.930 -8.513 1.00 34.41 H new ATOM 0 HD23 LEU A 52 20.380 10.785 -9.121 1.00 34.41 H new ATOM 882 N ALA A 53 20.894 7.677 -5.990 1.00 60.35 N ATOM 883 CA ALA A 53 21.012 7.976 -4.569 1.00 1.31 C ATOM 884 C ALA A 53 22.391 8.537 -4.239 1.00 1.23 C ATOM 885 O ALA A 53 22.559 9.257 -3.255 1.00 64.13 O ATOM 886 CB ALA A 53 20.736 6.729 -3.742 1.00 15.40 C ATOM 0 H ALA A 53 20.797 6.685 -6.205 1.00 60.35 H new ATOM 0 HA ALA A 53 20.270 8.735 -4.320 1.00 1.31 H new ATOM 0 HB1 ALA A 53 20.828 6.967 -2.682 1.00 15.40 H new ATOM 0 HB2 ALA A 53 19.727 6.372 -3.948 1.00 15.40 H new ATOM 0 HB3 ALA A 53 21.455 5.953 -4.003 1.00 15.40 H new ATOM 892 N ASN A 54 23.375 8.202 -5.067 1.00 0.01 N ATOM 893 CA ASN A 54 24.740 8.672 -4.861 1.00 64.45 C ATOM 894 C ASN A 54 24.845 10.171 -5.124 1.00 22.13 C ATOM 895 O ASN A 54 25.575 10.882 -4.433 1.00 73.32 O ATOM 896 CB ASN A 54 25.705 7.914 -5.776 1.00 24.14 C ATOM 897 CG ASN A 54 26.632 6.995 -5.003 1.00 42.12 C ATOM 898 OD1 ASN A 54 27.168 7.370 -3.960 1.00 31.51 O ATOM 899 ND2 ASN A 54 26.826 5.785 -5.514 1.00 73.40 N ATOM 0 H ASN A 54 23.253 7.607 -5.887 1.00 0.01 H new ATOM 0 HA ASN A 54 25.010 8.484 -3.822 1.00 64.45 H new ATOM 0 HB2 ASN A 54 25.134 7.328 -6.496 1.00 24.14 H new ATOM 0 HB3 ASN A 54 26.298 8.629 -6.346 1.00 24.14 H new ATOM 0 HD21 ASN A 54 27.440 5.123 -5.039 1.00 73.40 H new ATOM 0 HD22 ASN A 54 26.361 5.517 -6.381 1.00 73.40 H new ATOM 906 N GLU A 55 24.111 10.644 -6.126 1.00 34.23 N ATOM 907 CA GLU A 55 24.122 12.059 -6.479 1.00 35.44 C ATOM 908 C GLU A 55 23.843 12.927 -5.255 1.00 32.30 C ATOM 909 O GLU A 55 24.644 13.790 -4.897 1.00 10.11 O ATOM 910 CB GLU A 55 23.084 12.344 -7.567 1.00 23.43 C ATOM 911 CG GLU A 55 23.173 11.400 -8.755 1.00 4.43 C ATOM 912 CD GLU A 55 22.398 11.902 -9.957 1.00 51.13 C ATOM 913 OE1 GLU A 55 21.505 12.756 -9.774 1.00 65.05 O ATOM 914 OE2 GLU A 55 22.684 11.440 -11.082 1.00 4.22 O ATOM 0 H GLU A 55 23.502 10.069 -6.707 1.00 34.23 H new ATOM 0 HA GLU A 55 25.114 12.305 -6.859 1.00 35.44 H new ATOM 0 HB2 GLU A 55 22.087 12.275 -7.133 1.00 23.43 H new ATOM 0 HB3 GLU A 55 23.209 13.369 -7.917 1.00 23.43 H new ATOM 0 HG2 GLU A 55 24.219 11.267 -9.031 1.00 4.43 H new ATOM 0 HG3 GLU A 55 22.793 10.420 -8.465 1.00 4.43 H new ATOM 921 N VAL A 56 22.700 12.691 -4.618 1.00 3.45 N ATOM 922 CA VAL A 56 22.315 13.451 -3.434 1.00 31.51 C ATOM 923 C VAL A 56 23.310 13.241 -2.298 1.00 63.23 C ATOM 924 O VAL A 56 23.471 14.101 -1.432 1.00 22.42 O ATOM 925 CB VAL A 56 20.908 13.056 -2.948 1.00 33.13 C ATOM 926 CG1 VAL A 56 20.881 11.597 -2.518 1.00 14.12 C ATOM 927 CG2 VAL A 56 20.463 13.964 -1.811 1.00 23.32 C ATOM 0 H VAL A 56 22.025 11.981 -4.902 1.00 3.45 H new ATOM 0 HA VAL A 56 22.312 14.503 -3.720 1.00 31.51 H new ATOM 0 HB VAL A 56 20.209 13.179 -3.775 1.00 33.13 H new ATOM 0 HG11 VAL A 56 19.879 11.336 -2.178 1.00 14.12 H new ATOM 0 HG12 VAL A 56 21.154 10.964 -3.362 1.00 14.12 H new ATOM 0 HG13 VAL A 56 21.591 11.444 -1.705 1.00 14.12 H new ATOM 0 HG21 VAL A 56 19.467 13.671 -1.480 1.00 23.32 H new ATOM 0 HG22 VAL A 56 21.162 13.876 -0.980 1.00 23.32 H new ATOM 0 HG23 VAL A 56 20.441 14.997 -2.158 1.00 23.32 H new ATOM 937 N LYS A 57 23.978 12.092 -2.309 1.00 34.14 N ATOM 938 CA LYS A 57 24.960 11.768 -1.281 1.00 70.10 C ATOM 939 C LYS A 57 26.260 12.532 -1.510 1.00 53.55 C ATOM 940 O LYS A 57 26.974 12.858 -0.563 1.00 21.42 O ATOM 941 CB LYS A 57 25.237 10.263 -1.267 1.00 72.25 C ATOM 942 CG LYS A 57 26.483 9.881 -0.487 1.00 73.54 C ATOM 943 CD LYS A 57 26.391 10.326 0.963 1.00 63.34 C ATOM 944 CE LYS A 57 25.313 9.560 1.714 1.00 61.32 C ATOM 945 NZ LYS A 57 25.894 8.604 2.697 1.00 65.14 N ATOM 0 H LYS A 57 23.857 11.370 -3.019 1.00 34.14 H new ATOM 0 HA LYS A 57 24.549 12.065 -0.316 1.00 70.10 H new ATOM 0 HB2 LYS A 57 24.378 9.748 -0.838 1.00 72.25 H new ATOM 0 HB3 LYS A 57 25.339 9.911 -2.294 1.00 72.25 H new ATOM 0 HG2 LYS A 57 26.623 8.801 -0.529 1.00 73.54 H new ATOM 0 HG3 LYS A 57 27.358 10.334 -0.953 1.00 73.54 H new ATOM 0 HD2 LYS A 57 27.353 10.176 1.452 1.00 63.34 H new ATOM 0 HD3 LYS A 57 26.176 11.394 1.004 1.00 63.34 H new ATOM 0 HE2 LYS A 57 24.662 10.264 2.233 1.00 61.32 H new ATOM 0 HE3 LYS A 57 24.691 9.016 1.003 1.00 61.32 H new ATOM 0 HZ1 LYS A 57 25.127 8.102 3.188 1.00 65.14 H new ATOM 0 HZ2 LYS A 57 26.495 7.916 2.199 1.00 65.14 H new ATOM 0 HZ3 LYS A 57 26.467 9.125 3.391 1.00 65.14 H new ATOM 959 N GLU A 58 26.559 12.817 -2.774 1.00 54.12 N ATOM 960 CA GLU A 58 27.772 13.544 -3.126 1.00 44.42 C ATOM 961 C GLU A 58 27.749 14.955 -2.546 1.00 10.43 C ATOM 962 O GLU A 58 28.687 15.374 -1.866 1.00 72.12 O ATOM 963 CB GLU A 58 27.932 13.609 -4.647 1.00 11.24 C ATOM 964 CG GLU A 58 28.365 12.293 -5.270 1.00 20.12 C ATOM 965 CD GLU A 58 29.058 12.480 -6.606 1.00 33.13 C ATOM 966 OE1 GLU A 58 28.600 13.329 -7.398 1.00 42.51 O ATOM 967 OE2 GLU A 58 30.058 11.776 -6.858 1.00 41.02 O ATOM 0 H GLU A 58 25.978 12.555 -3.570 1.00 54.12 H new ATOM 0 HA GLU A 58 28.621 13.009 -2.701 1.00 44.42 H new ATOM 0 HB2 GLU A 58 26.985 13.917 -5.091 1.00 11.24 H new ATOM 0 HB3 GLU A 58 28.665 14.377 -4.894 1.00 11.24 H new ATOM 0 HG2 GLU A 58 29.037 11.775 -4.586 1.00 20.12 H new ATOM 0 HG3 GLU A 58 27.492 11.654 -5.404 1.00 20.12 H new ATOM 974 N ILE A 59 26.672 15.683 -2.819 1.00 15.40 N ATOM 975 CA ILE A 59 26.525 17.046 -2.324 1.00 4.51 C ATOM 976 C ILE A 59 26.586 17.088 -0.801 1.00 31.43 C ATOM 977 O ILE A 59 27.087 18.048 -0.214 1.00 34.11 O ATOM 978 CB ILE A 59 25.200 17.676 -2.791 1.00 13.00 C ATOM 979 CG1 ILE A 59 24.017 16.804 -2.364 1.00 64.32 C ATOM 980 CG2 ILE A 59 25.207 17.867 -4.300 1.00 72.33 C ATOM 981 CD1 ILE A 59 22.674 17.360 -2.781 1.00 42.42 C ATOM 0 H ILE A 59 25.888 15.352 -3.381 1.00 15.40 H new ATOM 0 HA ILE A 59 27.355 17.621 -2.734 1.00 4.51 H new ATOM 0 HB ILE A 59 25.094 18.654 -2.321 1.00 13.00 H new ATOM 0 HG12 ILE A 59 24.137 15.808 -2.791 1.00 64.32 H new ATOM 0 HG13 ILE A 59 24.033 16.690 -1.280 1.00 64.32 H new ATOM 0 HG21 ILE A 59 24.264 18.313 -4.615 1.00 72.33 H new ATOM 0 HG22 ILE A 59 26.030 18.524 -4.580 1.00 72.33 H new ATOM 0 HG23 ILE A 59 25.332 16.901 -4.788 1.00 72.33 H new ATOM 0 HD11 ILE A 59 21.883 16.690 -2.445 1.00 42.42 H new ATOM 0 HD12 ILE A 59 22.532 18.343 -2.332 1.00 42.42 H new ATOM 0 HD13 ILE A 59 22.638 17.448 -3.867 1.00 42.42 H new ATOM 993 N LEU A 60 26.074 16.039 -0.166 1.00 25.05 N ATOM 994 CA LEU A 60 26.072 15.953 1.291 1.00 53.32 C ATOM 995 C LEU A 60 27.491 16.031 1.843 1.00 23.45 C ATOM 996 O LEU A 60 27.759 16.766 2.794 1.00 51.12 O ATOM 997 CB LEU A 60 25.406 14.653 1.744 1.00 61.44 C ATOM 998 CG LEU A 60 23.877 14.646 1.744 1.00 60.22 C ATOM 999 CD1 LEU A 60 23.349 13.289 2.184 1.00 43.04 C ATOM 1000 CD2 LEU A 60 23.339 15.747 2.646 1.00 50.24 C ATOM 0 H LEU A 60 25.655 15.237 -0.636 1.00 25.05 H new ATOM 0 HA LEU A 60 25.504 16.799 1.680 1.00 53.32 H new ATOM 0 HB2 LEU A 60 25.753 13.846 1.098 1.00 61.44 H new ATOM 0 HB3 LEU A 60 25.750 14.424 2.753 1.00 61.44 H new ATOM 0 HG LEU A 60 23.532 14.835 0.727 1.00 60.22 H new ATOM 0 HD11 LEU A 60 22.259 13.303 2.178 1.00 43.04 H new ATOM 0 HD12 LEU A 60 23.706 12.520 1.499 1.00 43.04 H new ATOM 0 HD13 LEU A 60 23.703 13.070 3.191 1.00 43.04 H new ATOM 0 HD21 LEU A 60 22.249 15.727 2.634 1.00 50.24 H new ATOM 0 HD22 LEU A 60 23.694 15.589 3.665 1.00 50.24 H new ATOM 0 HD23 LEU A 60 23.688 16.715 2.287 1.00 50.24 H new ATOM 1012 N ASP A 61 28.397 15.269 1.241 1.00 64.31 N ATOM 1013 CA ASP A 61 29.791 15.253 1.670 1.00 10.24 C ATOM 1014 C ASP A 61 30.415 16.639 1.541 1.00 12.33 C ATOM 1015 O ASP A 61 31.363 16.973 2.253 1.00 53.23 O ATOM 1016 CB ASP A 61 30.590 14.242 0.846 1.00 14.13 C ATOM 1017 CG ASP A 61 31.855 13.793 1.550 1.00 63.14 C ATOM 1018 OD1 ASP A 61 31.747 13.184 2.634 1.00 13.34 O ATOM 1019 OD2 ASP A 61 32.955 14.051 1.016 1.00 74.44 O ATOM 0 H ASP A 61 28.191 14.654 0.454 1.00 64.31 H new ATOM 0 HA ASP A 61 29.819 14.957 2.719 1.00 10.24 H new ATOM 0 HB2 ASP A 61 29.966 13.373 0.637 1.00 14.13 H new ATOM 0 HB3 ASP A 61 30.850 14.686 -0.115 1.00 14.13 H new ATOM 1024 N TYR A 62 29.878 17.441 0.629 1.00 53.41 N ATOM 1025 CA TYR A 62 30.384 18.790 0.404 1.00 51.11 C ATOM 1026 C TYR A 62 29.733 19.783 1.362 1.00 1.10 C ATOM 1027 O TYR A 62 30.333 20.794 1.730 1.00 63.34 O ATOM 1028 CB TYR A 62 30.129 19.218 -1.042 1.00 44.34 C ATOM 1029 CG TYR A 62 30.175 20.716 -1.247 1.00 75.44 C ATOM 1030 CD1 TYR A 62 31.358 21.424 -1.084 1.00 25.11 C ATOM 1031 CD2 TYR A 62 29.033 21.422 -1.606 1.00 32.02 C ATOM 1032 CE1 TYR A 62 31.404 22.792 -1.270 1.00 11.05 C ATOM 1033 CE2 TYR A 62 29.069 22.790 -1.795 1.00 2.01 C ATOM 1034 CZ TYR A 62 30.257 23.470 -1.625 1.00 52.51 C ATOM 1035 OH TYR A 62 30.298 24.833 -1.812 1.00 43.23 O ATOM 0 H TYR A 62 29.092 17.181 0.033 1.00 53.41 H new ATOM 0 HA TYR A 62 31.458 18.784 0.590 1.00 51.11 H new ATOM 0 HB2 TYR A 62 30.871 18.748 -1.687 1.00 44.34 H new ATOM 0 HB3 TYR A 62 29.153 18.847 -1.355 1.00 44.34 H new ATOM 0 HD1 TYR A 62 32.258 20.896 -0.807 1.00 25.11 H new ATOM 0 HD2 TYR A 62 28.101 20.892 -1.740 1.00 32.02 H new ATOM 0 HE1 TYR A 62 32.333 23.327 -1.138 1.00 11.05 H new ATOM 0 HE2 TYR A 62 28.173 23.324 -2.074 1.00 2.01 H new ATOM 0 HH TYR A 62 29.407 25.156 -2.060 1.00 43.23 H new ATOM 1045 N HIS A 63 28.501 19.487 1.764 1.00 50.33 N ATOM 1046 CA HIS A 63 27.767 20.353 2.681 1.00 63.45 C ATOM 1047 C HIS A 63 28.488 20.459 4.021 1.00 30.11 C ATOM 1048 O HIS A 63 28.322 21.436 4.752 1.00 73.22 O ATOM 1049 CB HIS A 63 26.349 19.822 2.891 1.00 21.24 C ATOM 1050 CG HIS A 63 25.525 19.803 1.641 1.00 33.41 C ATOM 1051 ND1 HIS A 63 24.397 19.022 1.495 1.00 44.01 N ATOM 1052 CD2 HIS A 63 25.668 20.476 0.476 1.00 62.34 C ATOM 1053 CE1 HIS A 63 23.884 19.214 0.293 1.00 42.51 C ATOM 1054 NE2 HIS A 63 24.636 20.093 -0.346 1.00 24.44 N ATOM 0 H HIS A 63 27.990 18.655 1.470 1.00 50.33 H new ATOM 0 HA HIS A 63 27.712 21.348 2.239 1.00 63.45 H new ATOM 0 HB2 HIS A 63 26.405 18.811 3.295 1.00 21.24 H new ATOM 0 HB3 HIS A 63 25.847 20.437 3.638 1.00 21.24 H new ATOM 0 HD2 HIS A 63 26.449 21.183 0.237 1.00 62.34 H new ATOM 0 HE1 HIS A 63 23.000 18.734 -0.101 1.00 42.51 H new ATOM 0 HE2 HIS A 63 24.476 20.432 -1.295 1.00 24.44 H new ATOM 1062 N LYS A 64 29.289 19.447 4.339 1.00 54.21 N ATOM 1063 CA LYS A 64 30.035 19.426 5.591 1.00 44.01 C ATOM 1064 C LYS A 64 31.335 20.214 5.463 1.00 41.13 C ATOM 1065 O LYS A 64 31.868 20.716 6.452 1.00 22.44 O ATOM 1066 CB LYS A 64 30.340 17.984 6.003 1.00 73.22 C ATOM 1067 CG LYS A 64 31.636 17.446 5.422 1.00 71.02 C ATOM 1068 CD LYS A 64 31.600 15.933 5.284 1.00 54.25 C ATOM 1069 CE LYS A 64 32.446 15.256 6.350 1.00 31.53 C ATOM 1070 NZ LYS A 64 32.368 13.771 6.260 1.00 13.23 N ATOM 0 H LYS A 64 29.438 18.630 3.746 1.00 54.21 H new ATOM 0 HA LYS A 64 29.420 19.895 6.359 1.00 44.01 H new ATOM 0 HB2 LYS A 64 30.389 17.928 7.090 1.00 73.22 H new ATOM 0 HB3 LYS A 64 29.517 17.343 5.688 1.00 73.22 H new ATOM 0 HG2 LYS A 64 31.813 17.897 4.446 1.00 71.02 H new ATOM 0 HG3 LYS A 64 32.470 17.734 6.062 1.00 71.02 H new ATOM 0 HD2 LYS A 64 30.570 15.584 5.360 1.00 54.25 H new ATOM 0 HD3 LYS A 64 31.961 15.648 4.296 1.00 54.25 H new ATOM 0 HE2 LYS A 64 33.484 15.572 6.245 1.00 31.53 H new ATOM 0 HE3 LYS A 64 32.113 15.578 7.337 1.00 31.53 H new ATOM 0 HZ1 LYS A 64 32.958 13.347 7.004 1.00 13.23 H new ATOM 0 HZ2 LYS A 64 31.381 13.467 6.386 1.00 13.23 H new ATOM 0 HZ3 LYS A 64 32.710 13.461 5.328 1.00 13.23 H new ATOM 1084 N SER A 65 31.839 20.321 4.237 1.00 31.53 N ATOM 1085 CA SER A 65 33.078 21.046 3.980 1.00 35.13 C ATOM 1086 C SER A 65 32.942 22.512 4.381 1.00 31.45 C ATOM 1087 O SER A 65 33.750 23.033 5.150 1.00 44.31 O ATOM 1088 CB SER A 65 33.456 20.943 2.502 1.00 43.04 C ATOM 1089 OG SER A 65 34.552 20.063 2.316 1.00 53.52 O ATOM 0 H SER A 65 31.408 19.915 3.406 1.00 31.53 H new ATOM 0 HA SER A 65 33.867 20.594 4.582 1.00 35.13 H new ATOM 0 HB2 SER A 65 32.600 20.589 1.928 1.00 43.04 H new ATOM 0 HB3 SER A 65 33.710 21.931 2.119 1.00 43.04 H new ATOM 0 HG SER A 65 34.773 20.013 1.363 1.00 53.52 H new ATOM 1095 N ILE A 66 31.914 23.170 3.856 1.00 63.44 N ATOM 1096 CA ILE A 66 31.672 24.574 4.159 1.00 14.50 C ATOM 1097 C ILE A 66 30.818 24.726 5.414 1.00 44.42 C ATOM 1098 O ILE A 66 30.563 25.840 5.872 1.00 3.21 O ATOM 1099 CB ILE A 66 30.974 25.291 2.988 1.00 41.13 C ATOM 1100 CG1 ILE A 66 29.460 25.079 3.060 1.00 5.02 C ATOM 1101 CG2 ILE A 66 31.521 24.791 1.659 1.00 24.23 C ATOM 1102 CD1 ILE A 66 29.049 23.627 2.966 1.00 74.44 C ATOM 0 H ILE A 66 31.236 22.753 3.219 1.00 63.44 H new ATOM 0 HA ILE A 66 32.646 25.033 4.327 1.00 14.50 H new ATOM 0 HB ILE A 66 31.176 26.359 3.064 1.00 41.13 H new ATOM 0 HG12 ILE A 66 29.087 25.494 3.996 1.00 5.02 H new ATOM 0 HG13 ILE A 66 28.984 25.636 2.253 1.00 5.02 H new ATOM 0 HG21 ILE A 66 31.018 25.307 0.841 1.00 24.23 H new ATOM 0 HG22 ILE A 66 32.592 24.989 1.609 1.00 24.23 H new ATOM 0 HG23 ILE A 66 31.346 23.719 1.574 1.00 24.23 H new ATOM 0 HD11 ILE A 66 27.963 23.552 3.024 1.00 74.44 H new ATOM 0 HD12 ILE A 66 29.391 23.213 2.018 1.00 74.44 H new ATOM 0 HD13 ILE A 66 29.496 23.068 3.788 1.00 74.44 H new ATOM 1114 N ARG A 67 30.381 23.599 5.966 1.00 45.14 N ATOM 1115 CA ARG A 67 29.557 23.607 7.168 1.00 24.42 C ATOM 1116 C ARG A 67 30.195 24.463 8.259 1.00 73.42 C ATOM 1117 O ARG A 67 29.500 25.140 9.017 1.00 34.30 O ATOM 1118 CB ARG A 67 29.352 22.180 7.680 1.00 35.30 C ATOM 1119 CG ARG A 67 28.694 22.113 9.049 1.00 64.51 C ATOM 1120 CD ARG A 67 27.361 22.844 9.063 1.00 22.14 C ATOM 1121 NE ARG A 67 26.464 22.326 10.093 1.00 71.24 N ATOM 1122 CZ ARG A 67 25.885 21.132 10.029 1.00 14.15 C ATOM 1123 NH1 ARG A 67 26.108 20.337 8.992 1.00 10.21 N ATOM 1124 NH2 ARG A 67 25.080 20.731 11.006 1.00 43.13 N ATOM 0 H ARG A 67 30.584 22.669 5.600 1.00 45.14 H new ATOM 0 HA ARG A 67 28.589 24.037 6.912 1.00 24.42 H new ATOM 0 HB2 ARG A 67 28.740 21.631 6.965 1.00 35.30 H new ATOM 0 HB3 ARG A 67 30.318 21.677 7.725 1.00 35.30 H new ATOM 0 HG2 ARG A 67 28.542 21.071 9.330 1.00 64.51 H new ATOM 0 HG3 ARG A 67 29.358 22.550 9.795 1.00 64.51 H new ATOM 0 HD2 ARG A 67 27.532 23.907 9.232 1.00 22.14 H new ATOM 0 HD3 ARG A 67 26.885 22.749 8.087 1.00 22.14 H new ATOM 0 HE ARG A 67 26.272 22.913 10.905 1.00 71.24 H new ATOM 0 HH11 ARG A 67 26.726 20.641 8.240 1.00 10.21 H new ATOM 0 HH12 ARG A 67 25.662 19.421 8.946 1.00 10.21 H new ATOM 0 HH21 ARG A 67 24.906 21.340 11.806 1.00 43.13 H new ATOM 0 HH22 ARG A 67 24.636 19.814 10.957 1.00 43.13 H new ATOM 1138 N HIS A 68 31.522 24.427 8.332 1.00 35.13 N ATOM 1139 CA HIS A 68 32.253 25.199 9.330 1.00 0.41 C ATOM 1140 C HIS A 68 31.832 26.665 9.298 1.00 15.43 C ATOM 1141 O HIS A 68 31.831 27.345 10.326 1.00 63.41 O ATOM 1142 CB HIS A 68 33.759 25.084 9.092 1.00 51.34 C ATOM 1143 CG HIS A 68 34.507 24.507 10.254 1.00 40.33 C ATOM 1144 ND1 HIS A 68 34.877 25.251 11.355 1.00 74.43 N ATOM 1145 CD2 HIS A 68 34.953 23.250 10.483 1.00 3.21 C ATOM 1146 CE1 HIS A 68 35.519 24.476 12.210 1.00 4.14 C ATOM 1147 NE2 HIS A 68 35.579 23.257 11.705 1.00 1.04 N ATOM 0 H HIS A 68 32.112 23.872 7.712 1.00 35.13 H new ATOM 0 HA HIS A 68 32.016 24.792 10.313 1.00 0.41 H new ATOM 0 HB2 HIS A 68 33.933 24.462 8.214 1.00 51.34 H new ATOM 0 HB3 HIS A 68 34.160 26.073 8.867 1.00 51.34 H new ATOM 0 HD2 HIS A 68 34.838 22.400 9.827 1.00 3.21 H new ATOM 0 HE1 HIS A 68 35.926 24.786 13.161 1.00 4.14 H new ATOM 0 HE2 HIS A 68 36.019 22.452 12.150 1.00 1.04 H new ATOM 1155 N LEU A 69 31.474 27.147 8.113 1.00 10.52 N ATOM 1156 CA LEU A 69 31.051 28.534 7.947 1.00 33.31 C ATOM 1157 C LEU A 69 29.576 28.699 8.301 1.00 23.02 C ATOM 1158 O LEU A 69 29.161 29.746 8.799 1.00 72.34 O ATOM 1159 CB LEU A 69 31.296 28.994 6.509 1.00 24.31 C ATOM 1160 CG LEU A 69 32.742 28.917 6.018 1.00 43.33 C ATOM 1161 CD1 LEU A 69 32.786 28.819 4.501 1.00 60.23 C ATOM 1162 CD2 LEU A 69 33.534 30.125 6.499 1.00 55.05 C ATOM 0 H LEU A 69 31.468 26.599 7.253 1.00 10.52 H new ATOM 0 HA LEU A 69 31.640 29.151 8.625 1.00 33.31 H new ATOM 0 HB2 LEU A 69 30.675 28.392 5.845 1.00 24.31 H new ATOM 0 HB3 LEU A 69 30.956 30.025 6.415 1.00 24.31 H new ATOM 0 HG LEU A 69 33.199 28.019 6.433 1.00 43.33 H new ATOM 0 HD11 LEU A 69 33.823 28.765 4.170 1.00 60.23 H new ATOM 0 HD12 LEU A 69 32.255 27.923 4.179 1.00 60.23 H new ATOM 0 HD13 LEU A 69 32.311 29.698 4.066 1.00 60.23 H new ATOM 0 HD21 LEU A 69 34.561 30.053 6.140 1.00 55.05 H new ATOM 0 HD22 LEU A 69 33.078 31.036 6.113 1.00 55.05 H new ATOM 0 HD23 LEU A 69 33.532 30.151 7.589 1.00 55.05 H new ATOM 1174 N ARG A 70 28.791 27.658 8.043 1.00 11.44 N ATOM 1175 CA ARG A 70 27.363 27.688 8.336 1.00 51.12 C ATOM 1176 C ARG A 70 27.113 27.574 9.837 1.00 73.23 C ATOM 1177 O ARG A 70 26.091 28.036 10.343 1.00 22.00 O ATOM 1178 CB ARG A 70 26.647 26.554 7.601 1.00 75.33 C ATOM 1179 CG ARG A 70 27.071 26.405 6.149 1.00 53.33 C ATOM 1180 CD ARG A 70 26.023 25.662 5.335 1.00 32.34 C ATOM 1181 NE ARG A 70 24.854 26.492 5.059 1.00 50.45 N ATOM 1182 CZ ARG A 70 23.750 26.037 4.478 1.00 74.13 C ATOM 1183 NH1 ARG A 70 23.664 24.765 4.115 1.00 71.52 N ATOM 1184 NH2 ARG A 70 22.728 26.855 4.259 1.00 33.32 N ATOM 0 H ARG A 70 29.119 26.784 7.632 1.00 11.44 H new ATOM 0 HA ARG A 70 26.967 28.643 7.991 1.00 51.12 H new ATOM 0 HB2 ARG A 70 26.837 25.617 8.124 1.00 75.33 H new ATOM 0 HB3 ARG A 70 25.572 26.729 7.640 1.00 75.33 H new ATOM 0 HG2 ARG A 70 27.239 27.391 5.715 1.00 53.33 H new ATOM 0 HG3 ARG A 70 28.019 25.869 6.099 1.00 53.33 H new ATOM 0 HD2 ARG A 70 26.463 25.331 4.394 1.00 32.34 H new ATOM 0 HD3 ARG A 70 25.713 24.767 5.874 1.00 32.34 H new ATOM 0 HE ARG A 70 24.887 27.476 5.327 1.00 50.45 H new ATOM 0 HH11 ARG A 70 24.447 24.133 4.282 1.00 71.52 H new ATOM 0 HH12 ARG A 70 22.815 24.418 3.669 1.00 71.52 H new ATOM 0 HH21 ARG A 70 22.790 27.834 4.537 1.00 33.32 H new ATOM 0 HH22 ARG A 70 21.881 26.504 3.813 1.00 33.32 H new ATOM 1198 N GLY A 71 28.053 26.954 10.543 1.00 65.11 N ATOM 1199 CA GLY A 71 27.916 26.789 11.978 1.00 1.42 C ATOM 1200 C GLY A 71 27.669 28.104 12.691 1.00 2.04 C ATOM 1201 O GLY A 71 27.023 28.139 13.738 1.00 61.13 O ATOM 0 H GLY A 71 28.908 26.563 10.147 1.00 65.11 H new ATOM 0 HA2 GLY A 71 27.092 26.106 12.185 1.00 1.42 H new ATOM 0 HA3 GLY A 71 28.820 26.328 12.376 1.00 1.42 H new ATOM 1205 N GLY A 72 28.187 29.190 12.124 1.00 31.34 N ATOM 1206 CA GLY A 72 28.010 30.498 12.728 1.00 73.34 C ATOM 1207 C GLY A 72 26.556 30.806 13.027 1.00 21.24 C ATOM 1208 O GLY A 72 26.254 31.568 13.945 1.00 34.52 O ATOM 0 H GLY A 72 28.726 29.187 11.258 1.00 31.34 H new ATOM 0 HA2 GLY A 72 28.587 30.549 13.652 1.00 73.34 H new ATOM 0 HA3 GLY A 72 28.410 31.261 12.060 1.00 73.34 H new ATOM 1212 N GLU A 73 25.655 30.214 12.250 1.00 33.42 N ATOM 1213 CA GLU A 73 24.225 30.432 12.437 1.00 60.14 C ATOM 1214 C GLU A 73 23.672 29.516 13.524 1.00 21.44 C ATOM 1215 O GLU A 73 22.927 29.954 14.400 1.00 20.23 O ATOM 1216 CB GLU A 73 23.475 30.194 11.124 1.00 11.33 C ATOM 1217 CG GLU A 73 24.190 30.751 9.905 1.00 64.21 C ATOM 1218 CD GLU A 73 24.332 32.260 9.949 1.00 33.15 C ATOM 1219 OE1 GLU A 73 23.661 32.893 10.791 1.00 12.23 O ATOM 1220 OE2 GLU A 73 25.112 32.807 9.143 1.00 1.41 O ATOM 0 H GLU A 73 25.889 29.580 11.486 1.00 33.42 H new ATOM 0 HA GLU A 73 24.079 31.466 12.749 1.00 60.14 H new ATOM 0 HB2 GLU A 73 23.326 29.123 10.989 1.00 11.33 H new ATOM 0 HB3 GLU A 73 22.486 30.647 11.193 1.00 11.33 H new ATOM 0 HG2 GLU A 73 25.179 30.299 9.831 1.00 64.21 H new ATOM 0 HG3 GLU A 73 23.642 30.468 9.006 1.00 64.21 H new ATOM 1227 N ALA A 74 24.042 28.241 13.461 1.00 63.24 N ATOM 1228 CA ALA A 74 23.585 27.263 14.440 1.00 63.31 C ATOM 1229 C ALA A 74 23.940 27.698 15.858 1.00 43.05 C ATOM 1230 O ALA A 74 23.290 27.296 16.823 1.00 3.33 O ATOM 1231 CB ALA A 74 24.184 25.896 14.140 1.00 53.31 C ATOM 0 H ALA A 74 24.657 27.861 12.742 1.00 63.24 H new ATOM 0 HA ALA A 74 22.499 27.196 14.370 1.00 63.31 H new ATOM 0 HB1 ALA A 74 23.834 25.175 14.879 1.00 53.31 H new ATOM 0 HB2 ALA A 74 23.876 25.574 13.145 1.00 53.31 H new ATOM 0 HB3 ALA A 74 25.271 25.958 14.181 1.00 53.31 H new ATOM 1237 N THR A 75 24.977 28.522 15.977 1.00 71.03 N ATOM 1238 CA THR A 75 25.420 29.010 17.276 1.00 14.45 C ATOM 1239 C THR A 75 24.399 29.967 17.881 1.00 14.22 C ATOM 1240 O THR A 75 23.947 29.777 19.011 1.00 50.43 O ATOM 1241 CB THR A 75 26.780 29.726 17.174 1.00 14.42 C ATOM 1242 OG1 THR A 75 27.511 29.230 16.048 1.00 62.31 O ATOM 1243 CG2 THR A 75 27.594 29.525 18.443 1.00 20.01 C ATOM 0 H THR A 75 25.525 28.865 15.188 1.00 71.03 H new ATOM 0 HA THR A 75 25.525 28.138 17.922 1.00 14.45 H new ATOM 0 HB THR A 75 26.596 30.793 17.045 1.00 14.42 H new ATOM 0 HG1 THR A 75 28.374 29.691 15.989 1.00 62.31 H new ATOM 0 HG21 THR A 75 28.550 30.040 18.347 1.00 20.01 H new ATOM 0 HG22 THR A 75 27.047 29.931 19.294 1.00 20.01 H new ATOM 0 HG23 THR A 75 27.769 28.460 18.598 1.00 20.01 H new ATOM 1251 N LYS A 76 24.037 30.996 17.122 1.00 3.33 N ATOM 1252 CA LYS A 76 23.067 31.983 17.582 1.00 43.11 C ATOM 1253 C LYS A 76 21.654 31.409 17.560 1.00 65.50 C ATOM 1254 O LYS A 76 20.809 31.782 18.374 1.00 32.41 O ATOM 1255 CB LYS A 76 23.133 33.238 16.708 1.00 35.04 C ATOM 1256 CG LYS A 76 24.540 33.780 16.527 1.00 53.14 C ATOM 1257 CD LYS A 76 25.169 34.156 17.858 1.00 71.53 C ATOM 1258 CE LYS A 76 26.531 34.806 17.667 1.00 74.31 C ATOM 1259 NZ LYS A 76 27.595 33.797 17.406 1.00 50.41 N ATOM 0 H LYS A 76 24.401 31.168 16.185 1.00 3.33 H new ATOM 0 HA LYS A 76 23.316 32.249 18.609 1.00 43.11 H new ATOM 0 HB2 LYS A 76 22.711 33.011 15.729 1.00 35.04 H new ATOM 0 HB3 LYS A 76 22.508 34.013 17.152 1.00 35.04 H new ATOM 0 HG2 LYS A 76 25.158 33.032 16.030 1.00 53.14 H new ATOM 0 HG3 LYS A 76 24.513 34.654 15.877 1.00 53.14 H new ATOM 0 HD2 LYS A 76 24.510 34.840 18.393 1.00 71.53 H new ATOM 0 HD3 LYS A 76 25.274 33.265 18.477 1.00 71.53 H new ATOM 0 HE2 LYS A 76 26.485 35.509 16.835 1.00 74.31 H new ATOM 0 HE3 LYS A 76 26.787 35.382 18.557 1.00 74.31 H new ATOM 0 HZ1 LYS A 76 28.508 34.279 17.281 1.00 50.41 H new ATOM 0 HZ2 LYS A 76 27.657 33.142 18.211 1.00 50.41 H new ATOM 0 HZ3 LYS A 76 27.364 33.265 16.543 1.00 50.41 H new ATOM 1273 N LEU A 77 21.406 30.498 16.625 1.00 14.20 N ATOM 1274 CA LEU A 77 20.095 29.870 16.498 1.00 11.33 C ATOM 1275 C LEU A 77 19.649 29.267 17.827 1.00 44.14 C ATOM 1276 O LEU A 77 18.455 29.170 18.107 1.00 35.51 O ATOM 1277 CB LEU A 77 20.129 28.787 15.419 1.00 31.20 C ATOM 1278 CG LEU A 77 19.930 29.266 13.981 1.00 72.24 C ATOM 1279 CD1 LEU A 77 20.057 28.103 13.008 1.00 15.25 C ATOM 1280 CD2 LEU A 77 18.577 29.946 13.828 1.00 43.45 C ATOM 0 H LEU A 77 22.095 30.178 15.944 1.00 14.20 H new ATOM 0 HA LEU A 77 19.378 30.638 16.210 1.00 11.33 H new ATOM 0 HB2 LEU A 77 21.088 28.272 15.480 1.00 31.20 H new ATOM 0 HB3 LEU A 77 19.357 28.052 15.646 1.00 31.20 H new ATOM 0 HG LEU A 77 20.708 29.993 13.750 1.00 72.24 H new ATOM 0 HD11 LEU A 77 19.912 28.463 11.989 1.00 15.25 H new ATOM 0 HD12 LEU A 77 21.049 27.659 13.099 1.00 15.25 H new ATOM 0 HD13 LEU A 77 19.301 27.352 13.238 1.00 15.25 H new ATOM 0 HD21 LEU A 77 18.452 30.281 12.798 1.00 43.45 H new ATOM 0 HD22 LEU A 77 17.785 29.241 14.079 1.00 43.45 H new ATOM 0 HD23 LEU A 77 18.524 30.805 14.497 1.00 43.45 H new ATOM 1292 N LYS A 78 20.618 28.865 18.642 1.00 0.35 N ATOM 1293 CA LYS A 78 20.327 28.275 19.944 1.00 63.24 C ATOM 1294 C LYS A 78 19.579 29.261 20.834 1.00 53.51 C ATOM 1295 O LYS A 78 18.777 28.864 21.679 1.00 14.44 O ATOM 1296 CB LYS A 78 21.624 27.836 20.628 1.00 34.43 C ATOM 1297 CG LYS A 78 22.361 28.970 21.319 1.00 61.40 C ATOM 1298 CD LYS A 78 23.795 28.586 21.643 1.00 43.50 C ATOM 1299 CE LYS A 78 23.915 28.009 23.045 1.00 72.31 C ATOM 1300 NZ LYS A 78 24.550 28.970 23.989 1.00 74.13 N ATOM 0 H LYS A 78 21.612 28.937 18.424 1.00 0.35 H new ATOM 0 HA LYS A 78 19.692 27.403 19.786 1.00 63.24 H new ATOM 0 HB2 LYS A 78 21.395 27.063 21.361 1.00 34.43 H new ATOM 0 HB3 LYS A 78 22.282 27.385 19.885 1.00 34.43 H new ATOM 0 HG2 LYS A 78 22.355 29.852 20.679 1.00 61.40 H new ATOM 0 HG3 LYS A 78 21.839 29.239 22.237 1.00 61.40 H new ATOM 0 HD2 LYS A 78 24.150 27.855 20.916 1.00 43.50 H new ATOM 0 HD3 LYS A 78 24.437 29.463 21.553 1.00 43.50 H new ATOM 0 HE2 LYS A 78 22.925 27.740 23.413 1.00 72.31 H new ATOM 0 HE3 LYS A 78 24.503 27.092 23.011 1.00 72.31 H new ATOM 0 HZ1 LYS A 78 24.613 28.539 24.933 1.00 74.13 H new ATOM 0 HZ2 LYS A 78 25.505 29.208 23.652 1.00 74.13 H new ATOM 0 HZ3 LYS A 78 23.976 29.836 24.042 1.00 74.13 H new ATOM 1314 N TYR A 79 19.845 30.548 20.637 1.00 32.14 N ATOM 1315 CA TYR A 79 19.197 31.591 21.423 1.00 12.24 C ATOM 1316 C TYR A 79 17.765 31.821 20.948 1.00 4.42 C ATOM 1317 O TYR A 79 16.908 32.265 21.712 1.00 3.54 O ATOM 1318 CB TYR A 79 19.992 32.895 21.333 1.00 32.24 C ATOM 1319 CG TYR A 79 21.340 32.830 22.015 1.00 12.32 C ATOM 1320 CD1 TYR A 79 22.455 32.339 21.347 1.00 1.54 C ATOM 1321 CD2 TYR A 79 21.498 33.259 23.327 1.00 1.02 C ATOM 1322 CE1 TYR A 79 23.689 32.278 21.966 1.00 34.14 C ATOM 1323 CE2 TYR A 79 22.728 33.203 23.954 1.00 60.53 C ATOM 1324 CZ TYR A 79 23.820 32.711 23.269 1.00 1.13 C ATOM 1325 OH TYR A 79 25.047 32.652 23.890 1.00 33.13 O ATOM 0 H TYR A 79 20.505 30.893 19.940 1.00 32.14 H new ATOM 0 HA TYR A 79 19.168 31.262 22.462 1.00 12.24 H new ATOM 0 HB2 TYR A 79 20.137 33.151 20.283 1.00 32.24 H new ATOM 0 HB3 TYR A 79 19.407 33.699 21.779 1.00 32.24 H new ATOM 0 HD1 TYR A 79 22.356 31.999 20.327 1.00 1.54 H new ATOM 0 HD2 TYR A 79 20.645 33.643 23.866 1.00 1.02 H new ATOM 0 HE1 TYR A 79 24.546 31.894 21.433 1.00 34.14 H new ATOM 0 HE2 TYR A 79 22.834 33.542 24.974 1.00 60.53 H new ATOM 0 HH TYR A 79 24.968 32.996 24.804 1.00 33.13 H new ATOM 1335 N LYS A 80 17.514 31.515 19.680 1.00 53.40 N ATOM 1336 CA LYS A 80 16.187 31.686 19.100 1.00 32.01 C ATOM 1337 C LYS A 80 15.353 30.420 19.267 1.00 21.44 C ATOM 1338 O LYS A 80 14.375 30.402 20.016 1.00 65.44 O ATOM 1339 CB LYS A 80 16.298 32.044 17.616 1.00 22.33 C ATOM 1340 CG LYS A 80 17.109 33.301 17.353 1.00 70.20 C ATOM 1341 CD LYS A 80 18.275 33.027 16.418 1.00 73.24 C ATOM 1342 CE LYS A 80 18.515 34.192 15.470 1.00 12.10 C ATOM 1343 NZ LYS A 80 18.840 35.446 16.204 1.00 2.13 N ATOM 0 H LYS A 80 18.212 31.147 19.034 1.00 53.40 H new ATOM 0 HA LYS A 80 15.690 32.500 19.628 1.00 32.01 H new ATOM 0 HB2 LYS A 80 16.753 31.210 17.083 1.00 22.33 H new ATOM 0 HB3 LYS A 80 15.296 32.176 17.207 1.00 22.33 H new ATOM 0 HG2 LYS A 80 16.465 34.066 16.919 1.00 70.20 H new ATOM 0 HG3 LYS A 80 17.484 33.697 18.297 1.00 70.20 H new ATOM 0 HD2 LYS A 80 19.176 32.841 17.003 1.00 73.24 H new ATOM 0 HD3 LYS A 80 18.076 32.123 15.842 1.00 73.24 H new ATOM 0 HE2 LYS A 80 19.332 33.946 14.792 1.00 12.10 H new ATOM 0 HE3 LYS A 80 17.628 34.350 14.856 1.00 12.10 H new ATOM 0 HZ1 LYS A 80 19.112 36.185 15.525 1.00 2.13 H new ATOM 0 HZ2 LYS A 80 18.007 35.760 16.742 1.00 2.13 H new ATOM 0 HZ3 LYS A 80 19.628 35.270 16.859 1.00 2.13 H new ATOM 1357 N LYS A 81 15.746 29.361 18.567 1.00 4.12 N ATOM 1358 CA LYS A 81 15.038 28.089 18.640 1.00 73.14 C ATOM 1359 C LYS A 81 15.876 27.040 19.363 1.00 71.52 C ATOM 1360 O LYS A 81 17.097 27.164 19.457 1.00 1.23 O ATOM 1361 CB LYS A 81 14.687 27.596 17.234 1.00 54.41 C ATOM 1362 CG LYS A 81 13.666 28.467 16.522 1.00 72.23 C ATOM 1363 CD LYS A 81 12.557 27.633 15.903 1.00 74.22 C ATOM 1364 CE LYS A 81 11.564 27.157 16.953 1.00 5.52 C ATOM 1365 NZ LYS A 81 10.420 26.426 16.344 1.00 74.32 N ATOM 0 H LYS A 81 16.552 29.359 17.942 1.00 4.12 H new ATOM 0 HA LYS A 81 14.119 28.246 19.204 1.00 73.14 H new ATOM 0 HB2 LYS A 81 15.597 27.554 16.635 1.00 54.41 H new ATOM 0 HB3 LYS A 81 14.301 26.579 17.300 1.00 54.41 H new ATOM 0 HG2 LYS A 81 13.237 29.178 17.228 1.00 72.23 H new ATOM 0 HG3 LYS A 81 14.162 29.049 15.745 1.00 72.23 H new ATOM 0 HD2 LYS A 81 12.036 28.222 15.148 1.00 74.22 H new ATOM 0 HD3 LYS A 81 12.989 26.772 15.393 1.00 74.22 H new ATOM 0 HE2 LYS A 81 12.072 26.507 17.665 1.00 5.52 H new ATOM 0 HE3 LYS A 81 11.190 28.014 17.514 1.00 5.52 H new ATOM 0 HZ1 LYS A 81 9.767 26.119 17.092 1.00 74.32 H new ATOM 0 HZ2 LYS A 81 9.919 27.054 15.683 1.00 74.32 H new ATOM 0 HZ3 LYS A 81 10.774 25.594 15.830 1.00 74.32 H new ATOM 1379 N ASP A 82 15.213 26.006 19.870 1.00 51.21 N ATOM 1380 CA ASP A 82 15.898 24.934 20.582 1.00 34.52 C ATOM 1381 C ASP A 82 16.652 24.031 19.611 1.00 41.33 C ATOM 1382 O ASP A 82 16.081 23.532 18.642 1.00 51.53 O ATOM 1383 CB ASP A 82 14.895 24.108 21.390 1.00 2.25 C ATOM 1384 CG ASP A 82 13.895 24.975 22.130 1.00 75.43 C ATOM 1385 OD1 ASP A 82 14.328 25.844 22.915 1.00 52.23 O ATOM 1386 OD2 ASP A 82 12.678 24.784 21.923 1.00 61.44 O ATOM 0 H ASP A 82 14.202 25.888 19.801 1.00 51.21 H new ATOM 0 HA ASP A 82 16.618 25.387 21.263 1.00 34.52 H new ATOM 0 HB2 ASP A 82 14.361 23.433 20.721 1.00 2.25 H new ATOM 0 HB3 ASP A 82 15.433 23.487 22.106 1.00 2.25 H new ATOM 1391 N GLU A 83 17.938 23.828 19.877 1.00 25.24 N ATOM 1392 CA GLU A 83 18.771 22.987 19.025 1.00 11.00 C ATOM 1393 C GLU A 83 18.728 21.533 19.486 1.00 11.13 C ATOM 1394 O GLU A 83 18.311 21.239 20.607 1.00 75.32 O ATOM 1395 CB GLU A 83 20.215 23.492 19.027 1.00 24.24 C ATOM 1396 CG GLU A 83 20.878 23.434 20.394 1.00 61.25 C ATOM 1397 CD GLU A 83 22.361 23.129 20.310 1.00 21.30 C ATOM 1398 OE1 GLU A 83 22.758 22.349 19.419 1.00 52.10 O ATOM 1399 OE2 GLU A 83 23.125 23.670 21.136 1.00 10.54 O ATOM 0 H GLU A 83 18.426 24.234 20.675 1.00 25.24 H new ATOM 0 HA GLU A 83 18.377 23.040 18.010 1.00 11.00 H new ATOM 0 HB2 GLU A 83 20.799 22.899 18.324 1.00 24.24 H new ATOM 0 HB3 GLU A 83 20.232 24.521 18.668 1.00 24.24 H new ATOM 0 HG2 GLU A 83 20.735 24.387 20.904 1.00 61.25 H new ATOM 0 HG3 GLU A 83 20.388 22.672 21.000 1.00 61.25 H new ATOM 1406 N ILE A 84 19.161 20.629 18.615 1.00 64.15 N ATOM 1407 CA ILE A 84 19.173 19.206 18.932 1.00 10.41 C ATOM 1408 C ILE A 84 20.520 18.578 18.593 1.00 45.41 C ATOM 1409 O ILE A 84 20.655 17.873 17.592 1.00 50.42 O ATOM 1410 CB ILE A 84 18.063 18.452 18.177 1.00 71.13 C ATOM 1411 CG1 ILE A 84 16.709 19.128 18.407 1.00 65.53 C ATOM 1412 CG2 ILE A 84 18.017 16.997 18.618 1.00 35.25 C ATOM 1413 CD1 ILE A 84 16.289 19.159 19.859 1.00 1.34 C ATOM 0 H ILE A 84 19.509 20.856 17.683 1.00 64.15 H new ATOM 0 HA ILE A 84 18.995 19.120 20.004 1.00 10.41 H new ATOM 0 HB ILE A 84 18.285 18.481 17.110 1.00 71.13 H new ATOM 0 HG12 ILE A 84 16.753 20.149 18.028 1.00 65.53 H new ATOM 0 HG13 ILE A 84 15.948 18.605 17.828 1.00 65.53 H new ATOM 0 HG21 ILE A 84 17.227 16.477 18.075 1.00 35.25 H new ATOM 0 HG22 ILE A 84 18.975 16.522 18.407 1.00 35.25 H new ATOM 0 HG23 ILE A 84 17.815 16.947 19.688 1.00 35.25 H new ATOM 0 HD11 ILE A 84 15.321 19.652 19.947 1.00 1.34 H new ATOM 0 HD12 ILE A 84 16.213 18.140 20.238 1.00 1.34 H new ATOM 0 HD13 ILE A 84 17.030 19.708 20.440 1.00 1.34 H new ATOM 1425 N LEU A 85 21.516 18.837 19.434 1.00 52.03 N ATOM 1426 CA LEU A 85 22.854 18.296 19.225 1.00 62.53 C ATOM 1427 C LEU A 85 22.997 16.927 19.884 1.00 50.34 C ATOM 1428 O LEU A 85 22.014 16.340 20.335 1.00 63.15 O ATOM 1429 CB LEU A 85 23.907 19.255 19.782 1.00 12.14 C ATOM 1430 CG LEU A 85 25.110 19.531 18.879 1.00 35.33 C ATOM 1431 CD1 LEU A 85 24.655 20.100 17.544 1.00 22.12 C ATOM 1432 CD2 LEU A 85 26.083 20.480 19.562 1.00 1.04 C ATOM 0 H LEU A 85 21.422 19.418 20.267 1.00 52.03 H new ATOM 0 HA LEU A 85 23.008 18.181 18.152 1.00 62.53 H new ATOM 0 HB2 LEU A 85 23.422 20.205 20.007 1.00 12.14 H new ATOM 0 HB3 LEU A 85 24.272 18.852 20.727 1.00 12.14 H new ATOM 0 HG LEU A 85 25.624 18.588 18.693 1.00 35.33 H new ATOM 0 HD11 LEU A 85 25.524 20.290 16.914 1.00 22.12 H new ATOM 0 HD12 LEU A 85 23.998 19.385 17.049 1.00 22.12 H new ATOM 0 HD13 LEU A 85 24.117 21.033 17.711 1.00 22.12 H new ATOM 0 HD21 LEU A 85 26.933 20.665 18.905 1.00 1.04 H new ATOM 0 HD22 LEU A 85 25.580 21.422 19.779 1.00 1.04 H new ATOM 0 HD23 LEU A 85 26.434 20.034 20.492 1.00 1.04 H new ATOM 1444 N GLU A 86 24.228 16.427 19.937 1.00 54.30 N ATOM 1445 CA GLU A 86 24.498 15.129 20.543 1.00 62.35 C ATOM 1446 C GLU A 86 25.213 15.291 21.881 1.00 61.21 C ATOM 1447 O GLU A 86 26.018 14.447 22.273 1.00 2.32 O ATOM 1448 CB GLU A 86 25.344 14.268 19.601 1.00 12.41 C ATOM 1449 CG GLU A 86 24.595 13.805 18.363 1.00 30.40 C ATOM 1450 CD GLU A 86 25.497 13.110 17.361 1.00 3.44 C ATOM 1451 OE1 GLU A 86 26.355 13.792 16.763 1.00 43.01 O ATOM 1452 OE2 GLU A 86 25.345 11.885 17.177 1.00 71.44 O ATOM 0 H GLU A 86 25.053 16.901 19.568 1.00 54.30 H new ATOM 0 HA GLU A 86 23.543 14.633 20.719 1.00 62.35 H new ATOM 0 HB2 GLU A 86 26.222 14.836 19.293 1.00 12.41 H new ATOM 0 HB3 GLU A 86 25.704 13.395 20.145 1.00 12.41 H new ATOM 0 HG2 GLU A 86 23.796 13.125 18.659 1.00 30.40 H new ATOM 0 HG3 GLU A 86 24.123 14.664 17.886 1.00 30.40 H new ATOM 1459 N GLY A 87 24.912 16.383 22.577 1.00 25.25 N ATOM 1460 CA GLY A 87 25.535 16.637 23.864 1.00 51.05 C ATOM 1461 C GLY A 87 27.049 16.630 23.786 1.00 12.05 C ATOM 1462 O GLY A 87 27.725 16.355 24.777 1.00 62.22 O ATOM 0 H GLY A 87 24.249 17.096 22.273 1.00 25.25 H new ATOM 0 HA2 GLY A 87 25.198 17.602 24.243 1.00 51.05 H new ATOM 0 HA3 GLY A 87 25.207 15.882 24.578 1.00 51.05 H new ATOM 1466 N GLU A 88 27.581 16.932 22.606 1.00 22.03 N ATOM 1467 CA GLU A 88 29.025 16.956 22.404 1.00 1.53 C ATOM 1468 C GLU A 88 29.708 17.820 23.461 1.00 12.20 C ATOM 1469 O GLU A 88 29.100 18.706 24.062 1.00 41.40 O ATOM 1470 CB GLU A 88 29.358 17.483 21.007 1.00 60.13 C ATOM 1471 CG GLU A 88 28.552 18.708 20.610 1.00 51.21 C ATOM 1472 CD GLU A 88 29.409 19.795 19.990 1.00 20.05 C ATOM 1473 OE1 GLU A 88 30.199 19.478 19.077 1.00 64.31 O ATOM 1474 OE2 GLU A 88 29.290 20.962 20.419 1.00 70.31 O ATOM 0 H GLU A 88 27.035 17.163 21.776 1.00 22.03 H new ATOM 0 HA GLU A 88 29.396 15.935 22.498 1.00 1.53 H new ATOM 0 HB2 GLU A 88 30.419 17.727 20.964 1.00 60.13 H new ATOM 0 HB3 GLU A 88 29.183 16.692 20.278 1.00 60.13 H new ATOM 0 HG2 GLU A 88 27.776 18.414 19.903 1.00 51.21 H new ATOM 0 HG3 GLU A 88 28.047 19.107 21.490 1.00 51.21 H new ATOM 1481 N PRO A 89 31.002 17.556 23.694 1.00 10.34 N ATOM 1482 CA PRO A 89 31.796 18.298 24.678 1.00 21.25 C ATOM 1483 C PRO A 89 32.066 19.734 24.242 1.00 23.31 C ATOM 1484 O PRO A 89 31.519 20.204 23.245 1.00 74.43 O ATOM 1485 CB PRO A 89 33.104 17.505 24.749 1.00 53.22 C ATOM 1486 CG PRO A 89 33.203 16.820 23.430 1.00 74.31 C ATOM 1487 CD PRO A 89 31.790 16.514 23.015 1.00 11.20 C ATOM 0 HA PRO A 89 31.281 18.384 25.635 1.00 21.25 H new ATOM 0 HB2 PRO A 89 33.957 18.162 24.919 1.00 53.22 H new ATOM 0 HB3 PRO A 89 33.087 16.786 25.568 1.00 53.22 H new ATOM 0 HG2 PRO A 89 33.696 17.457 22.696 1.00 74.31 H new ATOM 0 HG3 PRO A 89 33.793 15.907 23.508 1.00 74.31 H new ATOM 0 HD2 PRO A 89 31.670 16.561 21.933 1.00 11.20 H new ATOM 0 HD3 PRO A 89 31.487 15.514 23.326 1.00 11.20 H new ATOM 1495 N VAL A 90 32.915 20.427 24.995 1.00 33.42 N ATOM 1496 CA VAL A 90 33.259 21.809 24.685 1.00 70.01 C ATOM 1497 C VAL A 90 34.750 21.953 24.400 1.00 13.40 C ATOM 1498 O VAL A 90 35.535 22.261 25.296 1.00 23.10 O ATOM 1499 CB VAL A 90 32.874 22.756 25.837 1.00 33.42 C ATOM 1500 CG1 VAL A 90 33.185 24.198 25.470 1.00 0.40 C ATOM 1501 CG2 VAL A 90 31.403 22.592 26.191 1.00 3.22 C ATOM 0 H VAL A 90 33.377 20.053 25.824 1.00 33.42 H new ATOM 0 HA VAL A 90 32.693 22.084 23.795 1.00 70.01 H new ATOM 0 HB VAL A 90 33.467 22.494 26.713 1.00 33.42 H new ATOM 0 HG11 VAL A 90 32.906 24.852 26.296 1.00 0.40 H new ATOM 0 HG12 VAL A 90 34.252 24.301 25.270 1.00 0.40 H new ATOM 0 HG13 VAL A 90 32.621 24.477 24.580 1.00 0.40 H new ATOM 0 HG21 VAL A 90 31.147 23.268 27.007 1.00 3.22 H new ATOM 0 HG22 VAL A 90 30.791 22.826 25.320 1.00 3.22 H new ATOM 0 HG23 VAL A 90 31.216 21.564 26.500 1.00 3.22 H new ATOM 1511 N GLN A 91 35.131 21.730 23.147 1.00 64.23 N ATOM 1512 CA GLN A 91 36.529 21.835 22.744 1.00 31.10 C ATOM 1513 C GLN A 91 36.752 23.064 21.868 1.00 22.55 C ATOM 1514 O GLN A 91 37.845 23.628 21.843 1.00 3.35 O ATOM 1515 CB GLN A 91 36.962 20.574 21.994 1.00 73.01 C ATOM 1516 CG GLN A 91 36.039 20.204 20.844 1.00 65.35 C ATOM 1517 CD GLN A 91 36.624 19.128 19.950 1.00 61.30 C ATOM 1518 OE1 GLN A 91 37.834 18.897 19.946 1.00 13.13 O ATOM 1519 NE2 GLN A 91 35.766 18.462 19.186 1.00 63.41 N ATOM 0 H GLN A 91 34.492 21.476 22.393 1.00 64.23 H new ATOM 0 HA GLN A 91 37.134 21.939 23.645 1.00 31.10 H new ATOM 0 HB2 GLN A 91 37.971 20.719 21.607 1.00 73.01 H new ATOM 0 HB3 GLN A 91 37.007 19.741 22.696 1.00 73.01 H new ATOM 0 HG2 GLN A 91 35.086 19.860 21.245 1.00 65.35 H new ATOM 0 HG3 GLN A 91 35.832 21.093 20.248 1.00 65.35 H new ATOM 0 HE21 GLN A 91 34.772 18.686 19.221 1.00 63.41 H new ATOM 0 HE22 GLN A 91 36.101 17.726 18.564 1.00 63.41 H new ATOM 1528 N GLN A 92 35.709 23.471 21.152 1.00 25.11 N ATOM 1529 CA GLN A 92 35.793 24.632 20.274 1.00 2.34 C ATOM 1530 C GLN A 92 34.403 25.100 19.856 1.00 61.43 C ATOM 1531 O GLN A 92 34.032 25.005 18.686 1.00 40.42 O ATOM 1532 CB GLN A 92 36.628 24.303 19.036 1.00 71.44 C ATOM 1533 CG GLN A 92 36.275 22.967 18.402 1.00 21.41 C ATOM 1534 CD GLN A 92 36.371 22.994 16.889 1.00 2.55 C ATOM 1535 OE1 GLN A 92 35.884 23.922 16.242 1.00 71.41 O ATOM 1536 NE2 GLN A 92 37.002 21.976 16.317 1.00 20.32 N ATOM 0 H GLN A 92 34.797 23.015 21.163 1.00 25.11 H new ATOM 0 HA GLN A 92 36.277 25.438 20.825 1.00 2.34 H new ATOM 0 HB2 GLN A 92 36.494 25.093 18.297 1.00 71.44 H new ATOM 0 HB3 GLN A 92 37.683 24.298 19.310 1.00 71.44 H new ATOM 0 HG2 GLN A 92 36.942 22.197 18.791 1.00 21.41 H new ATOM 0 HG3 GLN A 92 35.262 22.688 18.693 1.00 21.41 H new ATOM 0 HE21 GLN A 92 37.390 21.228 16.892 1.00 20.32 H new ATOM 0 HE22 GLN A 92 37.099 21.941 15.302 1.00 20.32 H new ATOM 1545 N SER A 93 33.638 25.603 20.819 1.00 3.12 N ATOM 1546 CA SER A 93 32.287 26.081 20.551 1.00 0.33 C ATOM 1547 C SER A 93 31.418 24.964 19.982 1.00 64.14 C ATOM 1548 O SER A 93 31.849 23.816 19.888 1.00 64.11 O ATOM 1549 CB SER A 93 32.324 27.261 19.577 1.00 24.44 C ATOM 1550 OG SER A 93 33.625 27.817 19.500 1.00 63.12 O ATOM 0 H SER A 93 33.931 25.690 21.792 1.00 3.12 H new ATOM 0 HA SER A 93 31.852 26.411 21.494 1.00 0.33 H new ATOM 0 HB2 SER A 93 32.007 26.930 18.588 1.00 24.44 H new ATOM 0 HB3 SER A 93 31.617 28.025 19.899 1.00 24.44 H new ATOM 0 HG SER A 93 33.623 28.568 18.870 1.00 63.12 H new TER 1556 SER A 93