USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 624 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 14 SER OG : rot 180:sc= -0.383 USER MOD Set 1.2: A 15 SER OG : rot 180:sc= 0.00124 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.104) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= -0.113 (180deg=-0.348) USER MOD Single : A 12 LYS NZ :NH3+ -149:sc= -0.0624 (180deg=-0.235) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.921 X(o=-0.92,f=-0.88) USER MOD Single : A 22 THR OG1 : rot 89:sc= 1.2 USER MOD Single : A 23 SER OG : rot 94:sc= 1.2 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -1.11 F(o=-1.8!,f=-1.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -8.96! C(o=-9!,f=-10!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.403 X(o=-0.4,f=-0.43) USER MOD Single : A 42 SER OG : rot 170:sc= -1.47 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot -27:sc= -2.44 USER MOD Single : A 46 SER OG : rot -82:sc= 0.962 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 13:sc= -0.724 USER MOD Single : A 52 MET CE :methyl -149:sc= -1.71 (180deg=-2.04) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -126:sc= 0.13 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 138:sc= -0.0287 (180deg=-0.265) USER MOD Single : A 63 MET CE :methyl -136:sc= -0.428 (180deg=-1.37!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.0246) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -117:sc= -0.05 (180deg=-0.485) USER MOD Single : A 76 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.129) USER MOD Single : A 77 ASN : amide:sc= -0.231 K(o=-0.23,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.667 10.211 -2.344 1.00 0.00 N ATOM 2 CA MET A 1 -20.491 11.446 -3.160 1.00 0.00 C ATOM 3 C MET A 1 -19.647 11.143 -4.402 1.00 0.00 C ATOM 4 O MET A 1 -18.615 10.505 -4.320 1.00 0.00 O ATOM 5 CB MET A 1 -19.760 12.426 -2.242 1.00 0.00 C ATOM 6 CG MET A 1 -19.871 13.841 -2.812 1.00 0.00 C ATOM 7 SD MET A 1 -19.146 15.020 -1.646 1.00 0.00 S ATOM 8 CE MET A 1 -19.884 16.517 -2.347 1.00 0.00 C ATOM 0 H1 MET A 1 -21.241 10.429 -1.504 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.147 9.485 -2.913 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.736 9.857 -2.045 1.00 0.00 H new ATOM 0 HA MET A 1 -21.441 11.848 -3.512 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.189 12.391 -1.241 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.712 12.141 -2.150 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.357 13.899 -3.771 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.916 14.090 -2.995 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.564 17.385 -1.770 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.562 16.631 -3.382 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.971 16.438 -2.311 1.00 0.00 H new ATOM 20 N GLY A 2 -20.083 11.598 -5.550 1.00 0.00 N ATOM 21 CA GLY A 2 -19.314 11.342 -6.804 1.00 0.00 C ATOM 22 C GLY A 2 -19.769 12.318 -7.890 1.00 0.00 C ATOM 23 O GLY A 2 -20.164 11.917 -8.969 1.00 0.00 O ATOM 0 H GLY A 2 -20.940 12.137 -5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -18.246 11.460 -6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -19.469 10.315 -7.135 1.00 0.00 H new ATOM 27 N LYS A 3 -19.715 13.596 -7.612 1.00 0.00 N ATOM 28 CA LYS A 3 -20.143 14.608 -8.623 1.00 0.00 C ATOM 29 C LYS A 3 -18.919 15.224 -9.306 1.00 0.00 C ATOM 30 O LYS A 3 -17.964 15.607 -8.656 1.00 0.00 O ATOM 31 CB LYS A 3 -20.903 15.667 -7.825 1.00 0.00 C ATOM 32 CG LYS A 3 -21.625 16.613 -8.788 1.00 0.00 C ATOM 33 CD LYS A 3 -22.525 17.561 -7.992 1.00 0.00 C ATOM 34 CE LYS A 3 -23.814 16.835 -7.602 1.00 0.00 C ATOM 35 NZ LYS A 3 -24.691 16.939 -8.802 1.00 0.00 N ATOM 0 H LYS A 3 -19.392 13.983 -6.725 1.00 0.00 H new ATOM 0 HA LYS A 3 -20.758 14.172 -9.410 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -21.623 15.189 -7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -20.212 16.229 -7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -20.899 17.184 -9.367 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -22.220 16.041 -9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -22.006 17.908 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -22.758 18.444 -8.588 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -23.619 15.794 -7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -24.280 17.297 -6.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -25.551 17.471 -8.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -24.182 17.433 -9.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -24.953 15.986 -9.124 1.00 0.00 H new ATOM 49 N GLY A 4 -18.942 15.321 -10.611 1.00 0.00 N ATOM 50 CA GLY A 4 -17.785 15.911 -11.345 1.00 0.00 C ATOM 51 C GLY A 4 -17.811 17.434 -11.201 1.00 0.00 C ATOM 52 O GLY A 4 -18.609 17.982 -10.463 1.00 0.00 O ATOM 0 H GLY A 4 -19.716 15.015 -11.201 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.850 15.514 -10.950 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.830 15.634 -12.398 1.00 0.00 H new ATOM 56 N ASP A 5 -16.942 18.119 -11.900 1.00 0.00 N ATOM 57 CA ASP A 5 -16.908 19.609 -11.810 1.00 0.00 C ATOM 58 C ASP A 5 -16.348 20.208 -13.111 1.00 0.00 C ATOM 59 O ASP A 5 -15.705 19.517 -13.874 1.00 0.00 O ATOM 60 CB ASP A 5 -15.979 19.913 -10.635 1.00 0.00 C ATOM 61 CG ASP A 5 -16.775 19.871 -9.329 1.00 0.00 C ATOM 62 OD1 ASP A 5 -17.687 20.669 -9.189 1.00 0.00 O ATOM 63 OD2 ASP A 5 -16.459 19.041 -8.493 1.00 0.00 O ATOM 0 H ASP A 5 -16.253 17.709 -12.531 1.00 0.00 H new ATOM 0 HA ASP A 5 -17.900 20.037 -11.666 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.168 19.186 -10.602 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -15.523 20.894 -10.763 1.00 0.00 H new ATOM 68 N PRO A 6 -16.608 21.481 -13.327 1.00 0.00 N ATOM 69 CA PRO A 6 -16.110 22.152 -14.557 1.00 0.00 C ATOM 70 C PRO A 6 -14.605 22.383 -14.453 1.00 0.00 C ATOM 71 O PRO A 6 -13.865 22.189 -15.399 1.00 0.00 O ATOM 72 CB PRO A 6 -16.836 23.494 -14.553 1.00 0.00 C ATOM 73 CG PRO A 6 -17.146 23.750 -13.115 1.00 0.00 C ATOM 74 CD PRO A 6 -17.373 22.408 -12.474 1.00 0.00 C ATOM 0 HA PRO A 6 -16.287 21.569 -15.461 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -16.212 24.284 -14.971 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -17.745 23.455 -15.154 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -16.324 24.276 -12.630 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -18.030 24.380 -13.016 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -17.017 22.391 -11.444 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -18.432 22.149 -12.450 1.00 0.00 H new ATOM 82 N ASN A 7 -14.161 22.816 -13.306 1.00 0.00 N ATOM 83 CA ASN A 7 -12.711 23.094 -13.108 1.00 0.00 C ATOM 84 C ASN A 7 -12.185 22.319 -11.895 1.00 0.00 C ATOM 85 O ASN A 7 -11.098 21.773 -11.922 1.00 0.00 O ATOM 86 CB ASN A 7 -12.645 24.607 -12.862 1.00 0.00 C ATOM 87 CG ASN A 7 -12.012 25.302 -14.069 1.00 0.00 C ATOM 88 OD1 ASN A 7 -10.874 25.724 -14.016 1.00 0.00 O ATOM 89 ND2 ASN A 7 -12.709 25.438 -15.164 1.00 0.00 N ATOM 0 H ASN A 7 -14.747 22.991 -12.489 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.101 22.789 -13.958 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -13.647 25.000 -12.688 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -12.062 24.814 -11.965 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -12.298 25.899 -15.976 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -13.664 25.083 -15.208 1.00 0.00 H new ATOM 96 N LYS A 8 -12.951 22.268 -10.834 1.00 0.00 N ATOM 97 CA LYS A 8 -12.502 21.528 -9.614 1.00 0.00 C ATOM 98 C LYS A 8 -12.328 20.034 -9.935 1.00 0.00 C ATOM 99 O LYS A 8 -12.944 19.532 -10.853 1.00 0.00 O ATOM 100 CB LYS A 8 -13.618 21.729 -8.586 1.00 0.00 C ATOM 101 CG LYS A 8 -13.472 23.106 -7.936 1.00 0.00 C ATOM 102 CD LYS A 8 -14.815 23.535 -7.341 1.00 0.00 C ATOM 103 CE LYS A 8 -14.922 23.025 -5.901 1.00 0.00 C ATOM 104 NZ LYS A 8 -15.662 21.737 -6.004 1.00 0.00 N ATOM 0 H LYS A 8 -13.869 22.707 -10.760 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.542 21.890 -9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.591 21.645 -9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.571 20.949 -7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.711 23.073 -7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.140 23.835 -8.675 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.903 24.621 -7.361 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.634 23.138 -7.941 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.936 22.880 -5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.453 23.736 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.055 21.487 -5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.436 21.835 -6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.013 20.988 -6.318 1.00 0.00 H new ATOM 118 N PRO A 9 -11.492 19.364 -9.170 1.00 0.00 N ATOM 119 CA PRO A 9 -11.258 17.917 -9.402 1.00 0.00 C ATOM 120 C PRO A 9 -12.474 17.100 -8.960 1.00 0.00 C ATOM 121 O PRO A 9 -13.475 17.644 -8.531 1.00 0.00 O ATOM 122 CB PRO A 9 -10.045 17.601 -8.530 1.00 0.00 C ATOM 123 CG PRO A 9 -10.061 18.637 -7.453 1.00 0.00 C ATOM 124 CD PRO A 9 -10.698 19.871 -8.035 1.00 0.00 C ATOM 0 HA PRO A 9 -11.095 17.675 -10.452 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.111 16.596 -8.112 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.122 17.646 -9.107 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.623 18.285 -6.588 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.049 18.851 -7.110 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.327 20.378 -7.303 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.948 20.590 -8.363 1.00 0.00 H new ATOM 132 N ARG A 10 -12.394 15.797 -9.062 1.00 0.00 N ATOM 133 CA ARG A 10 -13.542 14.934 -8.650 1.00 0.00 C ATOM 134 C ARG A 10 -13.282 14.335 -7.265 1.00 0.00 C ATOM 135 O ARG A 10 -12.154 14.259 -6.815 1.00 0.00 O ATOM 136 CB ARG A 10 -13.610 13.831 -9.706 1.00 0.00 C ATOM 137 CG ARG A 10 -15.016 13.228 -9.723 1.00 0.00 C ATOM 138 CD ARG A 10 -15.017 11.958 -10.577 1.00 0.00 C ATOM 139 NE ARG A 10 -15.242 12.432 -11.971 1.00 0.00 N ATOM 140 CZ ARG A 10 -16.448 12.447 -12.468 1.00 0.00 C ATOM 141 NH1 ARG A 10 -17.178 11.366 -12.443 1.00 0.00 N ATOM 142 NH2 ARG A 10 -16.925 13.544 -12.992 1.00 0.00 N ATOM 0 H ARG A 10 -11.580 15.293 -9.414 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.475 15.493 -8.585 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.365 14.237 -10.687 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.874 13.058 -9.488 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.336 12.996 -8.707 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -15.728 13.949 -10.124 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.071 11.423 -10.490 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.802 11.271 -10.262 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.453 12.745 -12.537 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -16.806 10.509 -12.035 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.121 11.378 -12.832 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.355 14.389 -13.013 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.868 13.555 -13.381 1.00 0.00 H new ATOM 156 N GLY A 11 -14.320 13.911 -6.590 1.00 0.00 N ATOM 157 CA GLY A 11 -14.145 13.314 -5.233 1.00 0.00 C ATOM 158 C GLY A 11 -13.383 11.992 -5.350 1.00 0.00 C ATOM 159 O GLY A 11 -12.491 11.852 -6.166 1.00 0.00 O ATOM 0 H GLY A 11 -15.284 13.953 -6.922 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.600 14.004 -4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -15.117 13.146 -4.770 1.00 0.00 H new ATOM 163 N LYS A 12 -13.731 11.023 -4.541 1.00 0.00 N ATOM 164 CA LYS A 12 -13.032 9.705 -4.598 1.00 0.00 C ATOM 165 C LYS A 12 -14.048 8.563 -4.508 1.00 0.00 C ATOM 166 O LYS A 12 -15.242 8.775 -4.607 1.00 0.00 O ATOM 167 CB LYS A 12 -12.106 9.695 -3.381 1.00 0.00 C ATOM 168 CG LYS A 12 -11.020 10.759 -3.556 1.00 0.00 C ATOM 169 CD LYS A 12 -10.144 10.807 -2.302 1.00 0.00 C ATOM 170 CE LYS A 12 -10.691 11.858 -1.329 1.00 0.00 C ATOM 171 NZ LYS A 12 -11.357 11.077 -0.250 1.00 0.00 N ATOM 0 H LYS A 12 -14.471 11.089 -3.842 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.483 9.569 -5.530 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.678 9.890 -2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.651 8.711 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.410 10.531 -4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.476 11.733 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.125 9.828 -1.822 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.116 11.049 -2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.890 12.480 -0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.396 12.526 -1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.155 11.623 0.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.707 10.178 -0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.675 10.884 0.511 1.00 0.00 H new ATOM 185 N MET A 13 -13.578 7.356 -4.322 1.00 0.00 N ATOM 186 CA MET A 13 -14.508 6.191 -4.225 1.00 0.00 C ATOM 187 C MET A 13 -13.803 5.007 -3.558 1.00 0.00 C ATOM 188 O MET A 13 -12.767 4.557 -4.011 1.00 0.00 O ATOM 189 CB MET A 13 -14.872 5.854 -5.671 1.00 0.00 C ATOM 190 CG MET A 13 -16.162 5.032 -5.694 1.00 0.00 C ATOM 191 SD MET A 13 -16.740 4.864 -7.402 1.00 0.00 S ATOM 192 CE MET A 13 -17.871 6.275 -7.398 1.00 0.00 C ATOM 0 H MET A 13 -12.588 7.127 -4.233 1.00 0.00 H new ATOM 0 HA MET A 13 -15.390 6.414 -3.625 1.00 0.00 H new ATOM 0 HB2 MET A 13 -15.002 6.770 -6.248 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.063 5.294 -6.140 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.987 4.048 -5.260 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.926 5.517 -5.086 1.00 0.00 H new ATOM 0 HE1 MET A 13 -18.348 6.362 -8.374 1.00 0.00 H new ATOM 0 HE2 MET A 13 -18.634 6.128 -6.633 1.00 0.00 H new ATOM 0 HE3 MET A 13 -17.314 7.187 -7.184 1.00 0.00 H new ATOM 202 N SER A 14 -14.359 4.503 -2.486 1.00 0.00 N ATOM 203 CA SER A 14 -13.727 3.346 -1.782 1.00 0.00 C ATOM 204 C SER A 14 -14.108 2.034 -2.472 1.00 0.00 C ATOM 205 O SER A 14 -14.829 2.027 -3.453 1.00 0.00 O ATOM 206 CB SER A 14 -14.293 3.389 -0.362 1.00 0.00 C ATOM 207 OG SER A 14 -13.975 2.175 0.306 1.00 0.00 O ATOM 0 H SER A 14 -15.225 4.843 -2.067 1.00 0.00 H new ATOM 0 HA SER A 14 -12.639 3.403 -1.789 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.877 4.237 0.182 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.374 3.529 -0.393 1.00 0.00 H new ATOM 0 HG SER A 14 -14.335 2.199 1.217 1.00 0.00 H new ATOM 213 N SER A 15 -13.630 0.926 -1.965 1.00 0.00 N ATOM 214 CA SER A 15 -13.961 -0.393 -2.586 1.00 0.00 C ATOM 215 C SER A 15 -15.440 -0.723 -2.368 1.00 0.00 C ATOM 216 O SER A 15 -16.053 -1.411 -3.160 1.00 0.00 O ATOM 217 CB SER A 15 -13.074 -1.411 -1.869 1.00 0.00 C ATOM 218 OG SER A 15 -13.351 -1.376 -0.475 1.00 0.00 O ATOM 0 H SER A 15 -13.024 0.878 -1.146 1.00 0.00 H new ATOM 0 HA SER A 15 -13.789 -0.394 -3.662 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.257 -2.411 -2.263 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.023 -1.185 -2.048 1.00 0.00 H new ATOM 0 HG SER A 15 -12.785 -2.029 -0.013 1.00 0.00 H new ATOM 224 N TYR A 16 -16.013 -0.232 -1.298 1.00 0.00 N ATOM 225 CA TYR A 16 -17.456 -0.512 -1.021 1.00 0.00 C ATOM 226 C TYR A 16 -18.340 0.242 -2.015 1.00 0.00 C ATOM 227 O TYR A 16 -19.428 -0.192 -2.345 1.00 0.00 O ATOM 228 CB TYR A 16 -17.700 -0.008 0.402 1.00 0.00 C ATOM 229 CG TYR A 16 -18.909 -0.701 0.982 1.00 0.00 C ATOM 230 CD1 TYR A 16 -20.188 -0.173 0.768 1.00 0.00 C ATOM 231 CD2 TYR A 16 -18.751 -1.873 1.732 1.00 0.00 C ATOM 232 CE1 TYR A 16 -21.309 -0.817 1.304 1.00 0.00 C ATOM 233 CE2 TYR A 16 -19.873 -2.516 2.269 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.152 -1.988 2.055 1.00 0.00 C ATOM 235 OH TYR A 16 -22.258 -2.623 2.584 1.00 0.00 O ATOM 0 H TYR A 16 -15.544 0.351 -0.604 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.694 -1.571 -1.121 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.825 -0.201 1.022 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.855 1.071 0.395 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.309 0.731 0.190 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.764 -2.281 1.896 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -22.296 -0.410 1.138 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -19.752 -3.419 2.848 1.00 0.00 H new ATOM 0 HH TYR A 16 -21.973 -3.421 3.076 1.00 0.00 H new ATOM 245 N ALA A 17 -17.878 1.369 -2.497 1.00 0.00 N ATOM 246 CA ALA A 17 -18.687 2.159 -3.475 1.00 0.00 C ATOM 247 C ALA A 17 -18.597 1.524 -4.864 1.00 0.00 C ATOM 248 O ALA A 17 -19.520 1.609 -5.654 1.00 0.00 O ATOM 249 CB ALA A 17 -18.057 3.553 -3.481 1.00 0.00 C ATOM 0 H ALA A 17 -16.975 1.776 -2.255 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.743 2.193 -3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.598 4.194 -4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.109 3.980 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.014 3.480 -3.790 1.00 0.00 H new ATOM 255 N PHE A 18 -17.494 0.888 -5.166 1.00 0.00 N ATOM 256 CA PHE A 18 -17.337 0.241 -6.503 1.00 0.00 C ATOM 257 C PHE A 18 -18.122 -1.072 -6.547 1.00 0.00 C ATOM 258 O PHE A 18 -18.589 -1.491 -7.590 1.00 0.00 O ATOM 259 CB PHE A 18 -15.836 -0.026 -6.646 1.00 0.00 C ATOM 260 CG PHE A 18 -15.204 1.056 -7.490 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.398 1.066 -8.876 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.426 2.051 -6.885 1.00 0.00 C ATOM 263 CE1 PHE A 18 -14.814 2.069 -9.658 1.00 0.00 C ATOM 264 CE2 PHE A 18 -13.842 3.054 -7.667 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.035 3.064 -9.053 1.00 0.00 C ATOM 0 H PHE A 18 -16.693 0.789 -4.542 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.716 0.867 -7.311 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.367 -0.054 -5.663 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.672 -1.001 -7.105 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -15.999 0.299 -9.342 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.277 2.044 -5.815 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -14.964 2.076 -10.728 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.242 3.821 -7.200 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.584 3.838 -9.656 1.00 0.00 H new ATOM 275 N PHE A 19 -18.274 -1.719 -5.419 1.00 0.00 N ATOM 276 CA PHE A 19 -19.033 -3.008 -5.386 1.00 0.00 C ATOM 277 C PHE A 19 -20.484 -2.771 -5.814 1.00 0.00 C ATOM 278 O PHE A 19 -20.968 -3.379 -6.752 1.00 0.00 O ATOM 279 CB PHE A 19 -18.973 -3.478 -3.931 1.00 0.00 C ATOM 280 CG PHE A 19 -19.214 -4.967 -3.874 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.400 -5.837 -4.609 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.253 -5.477 -3.087 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.625 -7.218 -4.556 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.478 -6.857 -3.034 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.664 -7.728 -3.768 1.00 0.00 C ATOM 0 H PHE A 19 -17.906 -1.411 -4.519 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.613 -3.750 -6.065 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -18.001 -3.239 -3.500 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.722 -2.954 -3.337 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.599 -5.443 -5.217 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.881 -4.805 -2.521 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.997 -7.890 -5.123 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.280 -7.250 -2.427 1.00 0.00 H new ATOM 0 HZ PHE A 19 -19.837 -8.793 -3.726 1.00 0.00 H new ATOM 295 N VAL A 20 -21.176 -1.889 -5.138 1.00 0.00 N ATOM 296 CA VAL A 20 -22.598 -1.602 -5.506 1.00 0.00 C ATOM 297 C VAL A 20 -22.657 -1.032 -6.928 1.00 0.00 C ATOM 298 O VAL A 20 -23.614 -1.241 -7.650 1.00 0.00 O ATOM 299 CB VAL A 20 -23.081 -0.570 -4.480 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.525 -0.158 -4.790 1.00 0.00 C ATOM 301 CG2 VAL A 20 -23.022 -1.185 -3.079 1.00 0.00 C ATOM 0 H VAL A 20 -20.818 -1.354 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.223 -2.495 -5.493 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.439 0.310 -4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -24.860 0.575 -4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.573 0.279 -5.787 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.171 -1.035 -4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.365 -0.454 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.663 -2.065 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.996 -1.474 -2.851 1.00 0.00 H new ATOM 311 N GLN A 21 -21.636 -0.318 -7.332 1.00 0.00 N ATOM 312 CA GLN A 21 -21.622 0.264 -8.710 1.00 0.00 C ATOM 313 C GLN A 21 -21.482 -0.854 -9.744 1.00 0.00 C ATOM 314 O GLN A 21 -22.254 -0.944 -10.681 1.00 0.00 O ATOM 315 CB GLN A 21 -20.402 1.187 -8.748 1.00 0.00 C ATOM 316 CG GLN A 21 -20.629 2.291 -9.782 1.00 0.00 C ATOM 317 CD GLN A 21 -20.533 1.702 -11.190 1.00 0.00 C ATOM 318 OE1 GLN A 21 -19.461 1.346 -11.640 1.00 0.00 O ATOM 319 NE2 GLN A 21 -21.614 1.583 -11.911 1.00 0.00 N ATOM 0 H GLN A 21 -20.812 -0.113 -6.768 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.541 0.804 -8.940 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.233 1.625 -7.764 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.508 0.616 -9.000 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -21.608 2.747 -9.633 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -19.888 3.080 -9.655 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -22.514 1.881 -11.534 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -21.559 1.192 -12.851 1.00 0.00 H new ATOM 328 N THR A 22 -20.507 -1.710 -9.574 1.00 0.00 N ATOM 329 CA THR A 22 -20.313 -2.834 -10.540 1.00 0.00 C ATOM 330 C THR A 22 -21.452 -3.845 -10.390 1.00 0.00 C ATOM 331 O THR A 22 -21.844 -4.497 -11.339 1.00 0.00 O ATOM 332 CB THR A 22 -18.975 -3.471 -10.159 1.00 0.00 C ATOM 333 OG1 THR A 22 -17.982 -2.460 -10.061 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.568 -4.487 -11.227 1.00 0.00 C ATOM 0 H THR A 22 -19.836 -1.679 -8.807 1.00 0.00 H new ATOM 0 HA THR A 22 -20.313 -2.495 -11.576 1.00 0.00 H new ATOM 0 HB THR A 22 -19.074 -3.978 -9.199 1.00 0.00 H new ATOM 0 HG1 THR A 22 -17.962 -2.109 -9.146 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.615 -4.940 -10.954 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.330 -5.263 -11.301 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.468 -3.984 -12.189 1.00 0.00 H new ATOM 342 N SER A 23 -21.986 -3.973 -9.202 1.00 0.00 N ATOM 343 CA SER A 23 -23.106 -4.935 -8.976 1.00 0.00 C ATOM 344 C SER A 23 -24.395 -4.390 -9.597 1.00 0.00 C ATOM 345 O SER A 23 -25.262 -5.141 -10.007 1.00 0.00 O ATOM 346 CB SER A 23 -23.246 -5.043 -7.458 1.00 0.00 C ATOM 347 OG SER A 23 -22.127 -5.744 -6.931 1.00 0.00 O ATOM 0 H SER A 23 -21.693 -3.451 -8.376 1.00 0.00 H new ATOM 0 HA SER A 23 -22.914 -5.906 -9.432 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.308 -4.049 -7.015 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.169 -5.564 -7.203 1.00 0.00 H new ATOM 0 HG SER A 23 -21.442 -5.102 -6.650 1.00 0.00 H new ATOM 353 N ARG A 24 -24.523 -3.088 -9.676 1.00 0.00 N ATOM 354 CA ARG A 24 -25.751 -2.487 -10.278 1.00 0.00 C ATOM 355 C ARG A 24 -25.776 -2.764 -11.781 1.00 0.00 C ATOM 356 O ARG A 24 -26.798 -3.111 -12.342 1.00 0.00 O ATOM 357 CB ARG A 24 -25.641 -0.984 -10.010 1.00 0.00 C ATOM 358 CG ARG A 24 -26.926 -0.289 -10.463 1.00 0.00 C ATOM 359 CD ARG A 24 -27.178 0.940 -9.587 1.00 0.00 C ATOM 360 NE ARG A 24 -28.009 1.846 -10.427 1.00 0.00 N ATOM 361 CZ ARG A 24 -27.455 2.849 -11.051 1.00 0.00 C ATOM 362 NH1 ARG A 24 -27.221 3.966 -10.416 1.00 0.00 N ATOM 363 NH2 ARG A 24 -27.133 2.736 -12.311 1.00 0.00 N ATOM 0 H ARG A 24 -23.829 -2.416 -9.349 1.00 0.00 H new ATOM 0 HA ARG A 24 -26.666 -2.902 -9.856 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.473 -0.805 -8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -24.784 -0.571 -10.542 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -26.842 0.008 -11.509 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -27.768 -0.977 -10.393 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -27.696 0.670 -8.667 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -26.242 1.418 -9.298 1.00 0.00 H new ATOM 0 HE ARG A 24 -29.012 1.682 -10.515 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -27.471 4.055 -9.431 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -26.788 4.749 -10.905 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -27.315 1.864 -12.808 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -26.700 3.520 -12.799 1.00 0.00 H new ATOM 377 N GLU A 25 -24.650 -2.620 -12.433 1.00 0.00 N ATOM 378 CA GLU A 25 -24.591 -2.883 -13.903 1.00 0.00 C ATOM 379 C GLU A 25 -24.919 -4.351 -14.176 1.00 0.00 C ATOM 380 O GLU A 25 -25.711 -4.670 -15.043 1.00 0.00 O ATOM 381 CB GLU A 25 -23.151 -2.567 -14.312 1.00 0.00 C ATOM 382 CG GLU A 25 -22.965 -1.052 -14.394 1.00 0.00 C ATOM 383 CD GLU A 25 -21.754 -0.732 -15.273 1.00 0.00 C ATOM 384 OE1 GLU A 25 -21.889 -0.808 -16.483 1.00 0.00 O ATOM 385 OE2 GLU A 25 -20.713 -0.418 -14.721 1.00 0.00 O ATOM 0 H GLU A 25 -23.768 -2.331 -12.010 1.00 0.00 H new ATOM 0 HA GLU A 25 -25.307 -2.281 -14.463 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -22.455 -2.991 -13.588 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -22.927 -3.024 -15.276 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -23.860 -0.587 -14.807 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -22.822 -0.638 -13.396 1.00 0.00 H new ATOM 392 N GLU A 26 -24.317 -5.244 -13.431 1.00 0.00 N ATOM 393 CA GLU A 26 -24.594 -6.699 -13.630 1.00 0.00 C ATOM 394 C GLU A 26 -26.069 -6.998 -13.335 1.00 0.00 C ATOM 395 O GLU A 26 -26.628 -7.953 -13.839 1.00 0.00 O ATOM 396 CB GLU A 26 -23.690 -7.425 -12.630 1.00 0.00 C ATOM 397 CG GLU A 26 -23.814 -8.937 -12.832 1.00 0.00 C ATOM 398 CD GLU A 26 -24.968 -9.472 -11.983 1.00 0.00 C ATOM 399 OE1 GLU A 26 -24.909 -9.319 -10.775 1.00 0.00 O ATOM 400 OE2 GLU A 26 -25.892 -10.026 -12.556 1.00 0.00 O ATOM 0 H GLU A 26 -23.646 -5.028 -12.694 1.00 0.00 H new ATOM 0 HA GLU A 26 -24.399 -7.018 -14.654 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -22.655 -7.113 -12.767 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -23.971 -7.160 -11.611 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -23.988 -9.161 -13.884 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -22.883 -9.430 -12.551 1.00 0.00 H new ATOM 407 N HIS A 27 -26.701 -6.183 -12.523 1.00 0.00 N ATOM 408 CA HIS A 27 -28.139 -6.411 -12.195 1.00 0.00 C ATOM 409 C HIS A 27 -29.031 -5.570 -13.119 1.00 0.00 C ATOM 410 O HIS A 27 -30.055 -5.060 -12.710 1.00 0.00 O ATOM 411 CB HIS A 27 -28.288 -5.959 -10.740 1.00 0.00 C ATOM 412 CG HIS A 27 -29.669 -6.285 -10.234 1.00 0.00 C ATOM 413 ND1 HIS A 27 -30.824 -5.545 -10.173 1.00 0.00 N flip ATOM 414 CD2 HIS A 27 -29.982 -7.517 -9.682 1.00 0.00 C flip ATOM 415 CE1 HIS A 27 -31.837 -6.301 -9.592 1.00 0.00 C flip ATOM 416 NE2 HIS A 27 -31.276 -7.481 -9.314 1.00 0.00 N flip ATOM 0 H HIS A 27 -26.280 -5.370 -12.074 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.437 -7.451 -12.329 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -27.539 -6.452 -10.120 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.109 -4.887 -10.664 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -29.309 -8.354 -9.568 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -32.857 -5.999 -9.406 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -31.768 -8.260 -8.876 1.00 0.00 H new ATOM 424 N LYS A 28 -28.646 -5.414 -14.361 1.00 0.00 N ATOM 425 CA LYS A 28 -29.473 -4.599 -15.302 1.00 0.00 C ATOM 426 C LYS A 28 -29.727 -5.362 -16.608 1.00 0.00 C ATOM 427 O LYS A 28 -29.966 -4.768 -17.642 1.00 0.00 O ATOM 428 CB LYS A 28 -28.644 -3.342 -15.571 1.00 0.00 C ATOM 429 CG LYS A 28 -28.853 -2.338 -14.433 1.00 0.00 C ATOM 430 CD LYS A 28 -30.003 -1.385 -14.785 1.00 0.00 C ATOM 431 CE LYS A 28 -31.258 -1.773 -13.995 1.00 0.00 C ATOM 432 NZ LYS A 28 -32.399 -1.326 -14.843 1.00 0.00 N ATOM 0 H LYS A 28 -27.798 -5.814 -14.763 1.00 0.00 H new ATOM 0 HA LYS A 28 -30.452 -4.366 -14.883 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -27.588 -3.601 -15.653 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -28.938 -2.897 -16.522 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -29.077 -2.866 -13.506 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -27.938 -1.771 -14.263 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -29.720 -0.358 -14.555 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -30.208 -1.427 -15.855 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -31.296 -2.848 -13.816 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -31.277 -1.287 -13.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -33.295 -1.557 -14.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -32.340 -0.298 -14.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -32.359 -1.810 -15.762 1.00 0.00 H new ATOM 446 N LYS A 29 -29.680 -6.670 -16.568 1.00 0.00 N ATOM 447 CA LYS A 29 -29.925 -7.472 -17.806 1.00 0.00 C ATOM 448 C LYS A 29 -31.282 -8.176 -17.717 1.00 0.00 C ATOM 449 O LYS A 29 -32.160 -7.956 -18.530 1.00 0.00 O ATOM 450 CB LYS A 29 -28.789 -8.494 -17.846 1.00 0.00 C ATOM 451 CG LYS A 29 -27.534 -7.841 -18.431 1.00 0.00 C ATOM 452 CD LYS A 29 -26.319 -8.728 -18.154 1.00 0.00 C ATOM 453 CE LYS A 29 -26.253 -9.845 -19.198 1.00 0.00 C ATOM 454 NZ LYS A 29 -24.943 -10.514 -18.962 1.00 0.00 N ATOM 0 H LYS A 29 -29.482 -7.218 -15.731 1.00 0.00 H new ATOM 0 HA LYS A 29 -29.947 -6.854 -18.704 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.584 -8.865 -16.842 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -29.080 -9.353 -18.450 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.654 -7.696 -19.505 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -27.385 -6.855 -17.991 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -25.406 -8.133 -18.185 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -26.388 -9.155 -17.153 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -27.081 -10.545 -19.081 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -26.315 -9.444 -20.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -24.824 -11.293 -19.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -24.174 -9.825 -19.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.915 -10.891 -17.993 1.00 0.00 H new ATOM 468 N LYS A 30 -31.456 -9.018 -16.732 1.00 0.00 N ATOM 469 CA LYS A 30 -32.756 -9.743 -16.572 1.00 0.00 C ATOM 470 C LYS A 30 -33.482 -9.247 -15.319 1.00 0.00 C ATOM 471 O LYS A 30 -33.715 -9.998 -14.388 1.00 0.00 O ATOM 472 CB LYS A 30 -32.385 -11.224 -16.422 1.00 0.00 C ATOM 473 CG LYS A 30 -31.411 -11.414 -15.250 1.00 0.00 C ATOM 474 CD LYS A 30 -30.042 -11.858 -15.774 1.00 0.00 C ATOM 475 CE LYS A 30 -29.221 -12.446 -14.625 1.00 0.00 C ATOM 476 NZ LYS A 30 -27.857 -12.643 -15.190 1.00 0.00 N ATOM 0 H LYS A 30 -30.752 -9.237 -16.027 1.00 0.00 H new ATOM 0 HA LYS A 30 -33.422 -9.579 -17.419 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -33.285 -11.816 -16.255 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -31.931 -11.587 -17.344 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -31.312 -10.482 -14.694 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -31.803 -12.158 -14.557 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -30.166 -12.600 -16.563 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -29.517 -11.010 -16.213 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -29.200 -11.772 -13.769 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -29.645 -13.388 -14.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.234 -13.044 -14.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -27.907 -13.294 -15.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -27.476 -11.728 -15.505 1.00 0.00 H new ATOM 490 N HIS A 31 -33.831 -7.986 -15.281 1.00 0.00 N ATOM 491 CA HIS A 31 -34.532 -7.438 -14.074 1.00 0.00 C ATOM 492 C HIS A 31 -35.555 -6.372 -14.505 1.00 0.00 C ATOM 493 O HIS A 31 -35.524 -5.259 -14.019 1.00 0.00 O ATOM 494 CB HIS A 31 -33.436 -6.806 -13.185 1.00 0.00 C ATOM 495 CG HIS A 31 -32.204 -7.682 -13.143 1.00 0.00 C ATOM 496 ND1 HIS A 31 -31.074 -7.392 -13.891 1.00 0.00 N ATOM 497 CD2 HIS A 31 -31.926 -8.856 -12.485 1.00 0.00 C ATOM 498 CE1 HIS A 31 -30.179 -8.371 -13.669 1.00 0.00 C ATOM 499 NE2 HIS A 31 -30.647 -9.288 -12.819 1.00 0.00 N ATOM 0 H HIS A 31 -33.663 -7.313 -16.029 1.00 0.00 H new ATOM 0 HA HIS A 31 -35.073 -8.216 -13.535 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -33.173 -5.820 -13.570 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -33.820 -6.662 -12.175 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -32.599 -9.366 -11.811 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -29.200 -8.411 -14.123 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -30.169 -10.125 -12.486 1.00 0.00 H new ATOM 507 N PRO A 32 -36.437 -6.743 -15.412 1.00 0.00 N ATOM 508 CA PRO A 32 -37.463 -5.785 -15.897 1.00 0.00 C ATOM 509 C PRO A 32 -38.520 -5.541 -14.816 1.00 0.00 C ATOM 510 O PRO A 32 -38.850 -4.412 -14.504 1.00 0.00 O ATOM 511 CB PRO A 32 -38.075 -6.489 -17.105 1.00 0.00 C ATOM 512 CG PRO A 32 -37.836 -7.945 -16.867 1.00 0.00 C ATOM 513 CD PRO A 32 -36.566 -8.058 -16.066 1.00 0.00 C ATOM 0 HA PRO A 32 -37.050 -4.808 -16.146 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -39.140 -6.273 -17.190 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -37.608 -6.159 -18.033 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -38.673 -8.390 -16.328 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -37.745 -8.480 -17.812 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -36.626 -8.863 -15.334 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -35.709 -8.272 -16.705 1.00 0.00 H new ATOM 521 N ASP A 33 -39.050 -6.593 -14.245 1.00 0.00 N ATOM 522 CA ASP A 33 -40.088 -6.431 -13.181 1.00 0.00 C ATOM 523 C ASP A 33 -39.466 -6.644 -11.797 1.00 0.00 C ATOM 524 O ASP A 33 -40.057 -7.258 -10.930 1.00 0.00 O ATOM 525 CB ASP A 33 -41.144 -7.503 -13.477 1.00 0.00 C ATOM 526 CG ASP A 33 -40.506 -8.896 -13.440 1.00 0.00 C ATOM 527 OD1 ASP A 33 -39.833 -9.243 -14.396 1.00 0.00 O ATOM 528 OD2 ASP A 33 -40.704 -9.590 -12.457 1.00 0.00 O ATOM 0 H ASP A 33 -38.809 -7.558 -14.470 1.00 0.00 H new ATOM 0 HA ASP A 33 -40.523 -5.431 -13.180 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -41.949 -7.444 -12.744 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -41.590 -7.325 -14.455 1.00 0.00 H new ATOM 533 N SER A 34 -38.276 -6.139 -11.590 1.00 0.00 N ATOM 534 CA SER A 34 -37.604 -6.306 -10.266 1.00 0.00 C ATOM 535 C SER A 34 -37.049 -4.965 -9.782 1.00 0.00 C ATOM 536 O SER A 34 -36.312 -4.298 -10.485 1.00 0.00 O ATOM 537 CB SER A 34 -36.468 -7.296 -10.523 1.00 0.00 C ATOM 538 OG SER A 34 -35.930 -7.724 -9.278 1.00 0.00 O ATOM 0 H SER A 34 -37.740 -5.617 -12.283 1.00 0.00 H new ATOM 0 HA SER A 34 -38.289 -6.661 -9.496 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.837 -8.153 -11.087 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.691 -6.827 -11.127 1.00 0.00 H new ATOM 0 HG SER A 34 -35.202 -8.360 -9.438 1.00 0.00 H new ATOM 544 N SER A 35 -37.398 -4.568 -8.585 1.00 0.00 N ATOM 545 CA SER A 35 -36.899 -3.273 -8.042 1.00 0.00 C ATOM 546 C SER A 35 -35.595 -3.496 -7.273 1.00 0.00 C ATOM 547 O SER A 35 -35.410 -4.516 -6.636 1.00 0.00 O ATOM 548 CB SER A 35 -38.000 -2.785 -7.102 1.00 0.00 C ATOM 549 OG SER A 35 -37.735 -1.439 -6.729 1.00 0.00 O ATOM 0 H SER A 35 -38.011 -5.090 -7.958 1.00 0.00 H new ATOM 0 HA SER A 35 -36.687 -2.548 -8.828 1.00 0.00 H new ATOM 0 HB2 SER A 35 -38.971 -2.854 -7.593 1.00 0.00 H new ATOM 0 HB3 SER A 35 -38.045 -3.418 -6.216 1.00 0.00 H new ATOM 0 HG SER A 35 -38.440 -1.121 -6.127 1.00 0.00 H new ATOM 555 N VAL A 36 -34.693 -2.550 -7.330 1.00 0.00 N ATOM 556 CA VAL A 36 -33.397 -2.705 -6.605 1.00 0.00 C ATOM 557 C VAL A 36 -32.930 -1.351 -6.053 1.00 0.00 C ATOM 558 O VAL A 36 -31.898 -0.836 -6.443 1.00 0.00 O ATOM 559 CB VAL A 36 -32.419 -3.247 -7.654 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.264 -2.244 -8.802 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.056 -3.489 -7.004 1.00 0.00 C ATOM 0 H VAL A 36 -34.798 -1.677 -7.847 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.475 -3.374 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 36 -32.810 -4.184 -8.051 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.567 -2.641 -9.540 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -33.233 -2.076 -9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -31.881 -1.301 -8.412 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.361 -3.874 -7.750 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -30.673 -2.551 -6.601 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.161 -4.214 -6.197 1.00 0.00 H new ATOM 571 N ASN A 37 -33.682 -0.776 -5.146 1.00 0.00 N ATOM 572 CA ASN A 37 -33.284 0.545 -4.558 1.00 0.00 C ATOM 573 C ASN A 37 -31.910 0.426 -3.895 1.00 0.00 C ATOM 574 O ASN A 37 -31.344 -0.649 -3.822 1.00 0.00 O ATOM 575 CB ASN A 37 -34.359 0.859 -3.514 1.00 0.00 C ATOM 576 CG ASN A 37 -34.310 2.346 -3.161 1.00 0.00 C ATOM 577 OD1 ASN A 37 -34.470 3.192 -4.019 1.00 0.00 O ATOM 578 ND2 ASN A 37 -34.093 2.704 -1.925 1.00 0.00 N ATOM 0 H ASN A 37 -34.555 -1.163 -4.786 1.00 0.00 H new ATOM 0 HA ASN A 37 -33.212 1.330 -5.311 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -35.344 0.599 -3.902 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -34.199 0.257 -2.620 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -34.058 3.693 -1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -33.959 1.994 -1.205 1.00 0.00 H new ATOM 585 N PHE A 38 -31.363 1.518 -3.415 1.00 0.00 N ATOM 586 CA PHE A 38 -30.022 1.450 -2.765 1.00 0.00 C ATOM 587 C PHE A 38 -30.085 0.590 -1.508 1.00 0.00 C ATOM 588 O PHE A 38 -29.214 -0.206 -1.269 1.00 0.00 O ATOM 589 CB PHE A 38 -29.648 2.883 -2.398 1.00 0.00 C ATOM 590 CG PHE A 38 -29.507 3.703 -3.657 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.371 3.551 -4.461 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.507 4.611 -4.022 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.235 4.307 -5.631 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.371 5.368 -5.193 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.234 5.215 -5.997 1.00 0.00 C ATOM 0 H PHE A 38 -31.786 2.446 -3.446 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.285 1.004 -3.433 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -30.412 3.316 -1.753 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -28.713 2.894 -1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.599 2.850 -4.178 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -31.383 4.728 -3.401 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.359 4.189 -6.251 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.142 6.069 -5.476 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.129 5.798 -6.900 1.00 0.00 H new ATOM 605 N ALA A 39 -31.101 0.747 -0.699 1.00 0.00 N ATOM 606 CA ALA A 39 -31.187 -0.074 0.550 1.00 0.00 C ATOM 607 C ALA A 39 -31.477 -1.532 0.216 1.00 0.00 C ATOM 608 O ALA A 39 -30.887 -2.428 0.789 1.00 0.00 O ATOM 609 CB ALA A 39 -32.326 0.539 1.367 1.00 0.00 C ATOM 0 H ALA A 39 -31.869 1.402 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 39 -30.249 -0.066 1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.445 -0.015 2.298 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -32.094 1.580 1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -33.252 0.489 0.794 1.00 0.00 H new ATOM 615 N GLU A 40 -32.364 -1.779 -0.706 1.00 0.00 N ATOM 616 CA GLU A 40 -32.668 -3.192 -1.076 1.00 0.00 C ATOM 617 C GLU A 40 -31.427 -3.858 -1.685 1.00 0.00 C ATOM 618 O GLU A 40 -31.362 -5.068 -1.795 1.00 0.00 O ATOM 619 CB GLU A 40 -33.798 -3.108 -2.104 1.00 0.00 C ATOM 620 CG GLU A 40 -35.057 -2.553 -1.434 1.00 0.00 C ATOM 621 CD GLU A 40 -35.813 -3.689 -0.745 1.00 0.00 C ATOM 622 OE1 GLU A 40 -35.345 -4.147 0.284 1.00 0.00 O ATOM 623 OE2 GLU A 40 -36.848 -4.083 -1.258 1.00 0.00 O ATOM 0 H GLU A 40 -32.890 -1.070 -1.218 1.00 0.00 H new ATOM 0 HA GLU A 40 -32.956 -3.790 -0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.502 -2.467 -2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -34.000 -4.095 -2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -34.787 -1.788 -0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -35.696 -2.075 -2.177 1.00 0.00 H new ATOM 630 N PHE A 41 -30.439 -3.082 -2.081 1.00 0.00 N ATOM 631 CA PHE A 41 -29.214 -3.683 -2.678 1.00 0.00 C ATOM 632 C PHE A 41 -28.003 -3.471 -1.764 1.00 0.00 C ATOM 633 O PHE A 41 -27.209 -4.369 -1.553 1.00 0.00 O ATOM 634 CB PHE A 41 -29.027 -2.958 -4.012 1.00 0.00 C ATOM 635 CG PHE A 41 -28.209 -3.816 -4.944 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.693 -5.064 -5.353 1.00 0.00 C ATOM 637 CD2 PHE A 41 -26.967 -3.362 -5.402 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.934 -5.859 -6.220 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.208 -4.156 -6.270 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.692 -5.405 -6.679 1.00 0.00 C ATOM 0 H PHE A 41 -30.435 -2.064 -2.014 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.310 -4.761 -2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -29.997 -2.741 -4.459 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.529 -2.002 -3.851 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.652 -5.414 -5.000 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.594 -2.399 -5.086 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.307 -6.823 -6.535 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.250 -3.806 -6.624 1.00 0.00 H new ATOM 0 HZ PHE A 41 -26.107 -6.018 -7.349 1.00 0.00 H new ATOM 650 N SER A 42 -27.866 -2.296 -1.215 1.00 0.00 N ATOM 651 CA SER A 42 -26.719 -2.006 -0.297 1.00 0.00 C ATOM 652 C SER A 42 -26.726 -2.991 0.881 1.00 0.00 C ATOM 653 O SER A 42 -25.716 -3.212 1.521 1.00 0.00 O ATOM 654 CB SER A 42 -26.951 -0.572 0.192 1.00 0.00 C ATOM 655 OG SER A 42 -28.094 -0.543 1.034 1.00 0.00 O ATOM 0 H SER A 42 -28.504 -1.514 -1.362 1.00 0.00 H new ATOM 0 HA SER A 42 -25.754 -2.111 -0.792 1.00 0.00 H new ATOM 0 HB2 SER A 42 -26.076 -0.214 0.735 1.00 0.00 H new ATOM 0 HB3 SER A 42 -27.094 0.096 -0.658 1.00 0.00 H new ATOM 0 HG SER A 42 -28.153 0.330 1.475 1.00 0.00 H new ATOM 661 N LYS A 43 -27.862 -3.584 1.165 1.00 0.00 N ATOM 662 CA LYS A 43 -27.952 -4.557 2.290 1.00 0.00 C ATOM 663 C LYS A 43 -27.615 -5.969 1.801 1.00 0.00 C ATOM 664 O LYS A 43 -27.148 -6.801 2.556 1.00 0.00 O ATOM 665 CB LYS A 43 -29.412 -4.491 2.740 1.00 0.00 C ATOM 666 CG LYS A 43 -29.542 -3.533 3.926 1.00 0.00 C ATOM 667 CD LYS A 43 -30.800 -3.879 4.725 1.00 0.00 C ATOM 668 CE LYS A 43 -30.594 -5.210 5.451 1.00 0.00 C ATOM 669 NZ LYS A 43 -31.740 -5.313 6.397 1.00 0.00 N ATOM 0 H LYS A 43 -28.735 -3.431 0.659 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.256 -4.324 3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.042 -4.154 1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.761 -5.484 3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -28.661 -3.606 4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -29.595 -2.504 3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -31.015 -3.089 5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -31.660 -3.945 4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -30.584 -6.045 4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -29.642 -5.228 5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -31.669 -6.202 6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -31.719 -4.509 7.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -32.633 -5.301 5.864 1.00 0.00 H new ATOM 683 N LYS A 44 -27.859 -6.245 0.544 1.00 0.00 N ATOM 684 CA LYS A 44 -27.569 -7.605 -0.003 1.00 0.00 C ATOM 685 C LYS A 44 -26.106 -7.716 -0.439 1.00 0.00 C ATOM 686 O LYS A 44 -25.484 -8.751 -0.284 1.00 0.00 O ATOM 687 CB LYS A 44 -28.500 -7.751 -1.208 1.00 0.00 C ATOM 688 CG LYS A 44 -28.549 -9.218 -1.646 1.00 0.00 C ATOM 689 CD LYS A 44 -27.545 -9.450 -2.777 1.00 0.00 C ATOM 690 CE LYS A 44 -28.158 -9.000 -4.105 1.00 0.00 C ATOM 691 NZ LYS A 44 -27.240 -9.528 -5.151 1.00 0.00 N ATOM 0 H LYS A 44 -28.248 -5.584 -0.129 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.730 -8.386 0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.501 -7.404 -0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -28.148 -7.127 -2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.318 -9.868 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.554 -9.475 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -26.627 -8.896 -2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -27.276 -10.505 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -29.166 -9.395 -4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -28.233 -7.914 -4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -27.594 -9.260 -6.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -26.290 -9.129 -5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -27.194 -10.565 -5.081 1.00 0.00 H new ATOM 705 N CYS A 45 -25.550 -6.662 -0.987 1.00 0.00 N ATOM 706 CA CYS A 45 -24.123 -6.713 -1.438 1.00 0.00 C ATOM 707 C CYS A 45 -23.202 -7.038 -0.253 1.00 0.00 C ATOM 708 O CYS A 45 -22.171 -7.664 -0.411 1.00 0.00 O ATOM 709 CB CYS A 45 -23.821 -5.318 -2.007 1.00 0.00 C ATOM 710 SG CYS A 45 -24.033 -4.055 -0.722 1.00 0.00 S ATOM 0 H CYS A 45 -26.021 -5.771 -1.141 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.956 -7.489 -2.185 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -22.802 -5.288 -2.392 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -24.485 -5.108 -2.846 1.00 0.00 H new ATOM 0 HG CYS A 45 -24.892 -4.473 0.160 1.00 0.00 H new ATOM 716 N SER A 46 -23.572 -6.612 0.929 1.00 0.00 N ATOM 717 CA SER A 46 -22.726 -6.888 2.130 1.00 0.00 C ATOM 718 C SER A 46 -22.597 -8.398 2.350 1.00 0.00 C ATOM 719 O SER A 46 -21.560 -8.886 2.761 1.00 0.00 O ATOM 720 CB SER A 46 -23.461 -6.238 3.303 1.00 0.00 C ATOM 721 OG SER A 46 -24.734 -6.851 3.456 1.00 0.00 O ATOM 0 H SER A 46 -24.425 -6.084 1.114 1.00 0.00 H new ATOM 0 HA SER A 46 -21.716 -6.493 2.018 1.00 0.00 H new ATOM 0 HB2 SER A 46 -22.879 -6.348 4.218 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.578 -5.169 3.126 1.00 0.00 H new ATOM 0 HG SER A 46 -25.367 -6.454 2.822 1.00 0.00 H new ATOM 727 N GLU A 47 -23.643 -9.136 2.078 1.00 0.00 N ATOM 728 CA GLU A 47 -23.588 -10.619 2.269 1.00 0.00 C ATOM 729 C GLU A 47 -22.523 -11.229 1.354 1.00 0.00 C ATOM 730 O GLU A 47 -21.931 -12.243 1.669 1.00 0.00 O ATOM 731 CB GLU A 47 -24.979 -11.128 1.885 1.00 0.00 C ATOM 732 CG GLU A 47 -25.916 -11.008 3.087 1.00 0.00 C ATOM 733 CD GLU A 47 -25.522 -12.037 4.148 1.00 0.00 C ATOM 734 OE1 GLU A 47 -25.681 -13.218 3.887 1.00 0.00 O ATOM 735 OE2 GLU A 47 -25.068 -11.626 5.203 1.00 0.00 O ATOM 0 H GLU A 47 -24.533 -8.777 1.732 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.326 -10.891 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.370 -10.552 1.047 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.921 -12.166 1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.863 -10.002 3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.948 -11.169 2.774 1.00 0.00 H new ATOM 742 N ARG A 48 -22.278 -10.612 0.225 1.00 0.00 N ATOM 743 CA ARG A 48 -21.251 -11.147 -0.719 1.00 0.00 C ATOM 744 C ARG A 48 -19.902 -10.466 -0.471 1.00 0.00 C ATOM 745 O ARG A 48 -18.860 -11.092 -0.537 1.00 0.00 O ATOM 746 CB ARG A 48 -21.778 -10.805 -2.113 1.00 0.00 C ATOM 747 CG ARG A 48 -21.038 -11.641 -3.158 1.00 0.00 C ATOM 748 CD ARG A 48 -21.556 -11.290 -4.554 1.00 0.00 C ATOM 749 NE ARG A 48 -20.541 -11.845 -5.492 1.00 0.00 N ATOM 750 CZ ARG A 48 -20.220 -11.183 -6.570 1.00 0.00 C ATOM 751 NH1 ARG A 48 -19.469 -10.120 -6.485 1.00 0.00 N ATOM 752 NH2 ARG A 48 -20.649 -11.587 -7.736 1.00 0.00 N ATOM 0 H ARG A 48 -22.746 -9.760 -0.083 1.00 0.00 H new ATOM 0 HA ARG A 48 -21.093 -12.218 -0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.849 -11.001 -2.167 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.638 -9.743 -2.316 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -19.966 -11.451 -3.098 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -21.185 -12.703 -2.960 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -22.539 -11.727 -4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.660 -10.212 -4.677 1.00 0.00 H new ATOM 0 HE ARG A 48 -20.097 -12.741 -5.292 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.132 -9.805 -5.575 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -19.219 -9.604 -7.328 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -21.235 -12.419 -7.804 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -20.398 -11.070 -8.579 1.00 0.00 H new ATOM 766 N TRP A 49 -19.917 -9.189 -0.188 1.00 0.00 N ATOM 767 CA TRP A 49 -18.638 -8.456 0.066 1.00 0.00 C ATOM 768 C TRP A 49 -17.941 -9.025 1.306 1.00 0.00 C ATOM 769 O TRP A 49 -16.744 -9.244 1.308 1.00 0.00 O ATOM 770 CB TRP A 49 -19.046 -6.999 0.301 1.00 0.00 C ATOM 771 CG TRP A 49 -17.820 -6.156 0.453 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.485 -5.468 1.569 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.766 -5.899 -0.519 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.292 -4.805 1.343 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.810 -5.040 0.071 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.549 -6.325 -1.842 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.678 -4.617 -0.627 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.411 -5.901 -2.547 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.477 -5.048 -1.941 1.00 0.00 C ATOM 0 H TRP A 49 -20.761 -8.620 -0.121 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.939 -8.550 -0.765 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.646 -6.639 -0.534 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.665 -6.923 1.195 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.055 -5.441 2.486 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.826 -4.215 2.032 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.262 -6.982 -2.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.962 -3.961 -0.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.254 -6.234 -3.562 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.604 -4.725 -2.489 1.00 0.00 H new ATOM 790 N LYS A 50 -18.685 -9.264 2.356 1.00 0.00 N ATOM 791 CA LYS A 50 -18.073 -9.820 3.603 1.00 0.00 C ATOM 792 C LYS A 50 -17.575 -11.248 3.357 1.00 0.00 C ATOM 793 O LYS A 50 -16.637 -11.702 3.986 1.00 0.00 O ATOM 794 CB LYS A 50 -19.198 -9.817 4.639 1.00 0.00 C ATOM 795 CG LYS A 50 -19.293 -8.433 5.283 1.00 0.00 C ATOM 796 CD LYS A 50 -18.127 -8.238 6.254 1.00 0.00 C ATOM 797 CE LYS A 50 -18.345 -6.959 7.065 1.00 0.00 C ATOM 798 NZ LYS A 50 -17.450 -7.098 8.247 1.00 0.00 N ATOM 0 H LYS A 50 -19.690 -9.098 2.405 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.215 -9.235 3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.145 -10.075 4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.007 -10.572 5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.272 -7.661 4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -20.241 -8.331 5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.049 -9.096 6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -17.188 -8.176 5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -18.094 -6.073 6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.387 -6.856 7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -17.543 -6.258 8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -17.717 -7.946 8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.464 -7.187 7.928 1.00 0.00 H new ATOM 812 N THR A 51 -18.195 -11.953 2.446 1.00 0.00 N ATOM 813 CA THR A 51 -17.765 -13.353 2.153 1.00 0.00 C ATOM 814 C THR A 51 -16.626 -13.361 1.126 1.00 0.00 C ATOM 815 O THR A 51 -15.847 -14.293 1.063 1.00 0.00 O ATOM 816 CB THR A 51 -19.008 -14.036 1.578 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.516 -13.261 0.501 1.00 0.00 O ATOM 818 CG2 THR A 51 -20.074 -14.159 2.668 1.00 0.00 C ATOM 0 H THR A 51 -18.983 -11.618 1.891 1.00 0.00 H new ATOM 0 HA THR A 51 -17.391 -13.861 3.042 1.00 0.00 H new ATOM 0 HB THR A 51 -18.744 -15.030 1.218 1.00 0.00 H new ATOM 0 HG1 THR A 51 -18.853 -12.588 0.241 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.959 -14.645 2.258 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.683 -14.753 3.494 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.341 -13.166 3.030 1.00 0.00 H new ATOM 826 N MET A 52 -16.524 -12.329 0.321 1.00 0.00 N ATOM 827 CA MET A 52 -15.434 -12.276 -0.705 1.00 0.00 C ATOM 828 C MET A 52 -14.061 -12.375 -0.033 1.00 0.00 C ATOM 829 O MET A 52 -13.893 -11.999 1.112 1.00 0.00 O ATOM 830 CB MET A 52 -15.595 -10.917 -1.392 1.00 0.00 C ATOM 831 CG MET A 52 -16.703 -11.003 -2.445 1.00 0.00 C ATOM 832 SD MET A 52 -15.988 -11.484 -4.038 1.00 0.00 S ATOM 833 CE MET A 52 -15.802 -9.816 -4.715 1.00 0.00 C ATOM 0 H MET A 52 -17.148 -11.522 0.330 1.00 0.00 H new ATOM 0 HA MET A 52 -15.501 -13.102 -1.413 1.00 0.00 H new ATOM 0 HB2 MET A 52 -15.838 -10.152 -0.655 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.656 -10.621 -1.860 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.455 -11.730 -2.138 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.208 -10.041 -2.537 1.00 0.00 H new ATOM 0 HE1 MET A 52 -15.911 -9.849 -5.799 1.00 0.00 H new ATOM 0 HE2 MET A 52 -16.567 -9.165 -4.293 1.00 0.00 H new ATOM 0 HE3 MET A 52 -14.815 -9.428 -4.461 1.00 0.00 H new ATOM 843 N SER A 53 -13.083 -12.882 -0.739 1.00 0.00 N ATOM 844 CA SER A 53 -11.716 -13.013 -0.149 1.00 0.00 C ATOM 845 C SER A 53 -10.799 -11.909 -0.684 1.00 0.00 C ATOM 846 O SER A 53 -11.224 -11.042 -1.423 1.00 0.00 O ATOM 847 CB SER A 53 -11.221 -14.386 -0.602 1.00 0.00 C ATOM 848 OG SER A 53 -12.124 -15.384 -0.147 1.00 0.00 O ATOM 0 H SER A 53 -13.172 -13.212 -1.700 1.00 0.00 H new ATOM 0 HA SER A 53 -11.724 -12.919 0.937 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.144 -14.417 -1.689 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.223 -14.574 -0.206 1.00 0.00 H new ATOM 0 HG SER A 53 -11.810 -16.266 -0.437 1.00 0.00 H new ATOM 854 N ALA A 54 -9.544 -11.942 -0.314 1.00 0.00 N ATOM 855 CA ALA A 54 -8.586 -10.899 -0.795 1.00 0.00 C ATOM 856 C ALA A 54 -8.294 -11.080 -2.290 1.00 0.00 C ATOM 857 O ALA A 54 -7.879 -10.154 -2.961 1.00 0.00 O ATOM 858 CB ALA A 54 -7.313 -11.114 0.027 1.00 0.00 C ATOM 0 H ALA A 54 -9.140 -12.648 0.302 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.988 -9.893 -0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.560 -10.383 -0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.539 -10.992 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.932 -12.120 -0.149 1.00 0.00 H new ATOM 864 N LYS A 55 -8.507 -12.262 -2.815 1.00 0.00 N ATOM 865 CA LYS A 55 -8.242 -12.499 -4.268 1.00 0.00 C ATOM 866 C LYS A 55 -9.270 -11.747 -5.115 1.00 0.00 C ATOM 867 O LYS A 55 -8.991 -11.332 -6.224 1.00 0.00 O ATOM 868 CB LYS A 55 -8.388 -14.010 -4.466 1.00 0.00 C ATOM 869 CG LYS A 55 -7.166 -14.721 -3.882 1.00 0.00 C ATOM 870 CD LYS A 55 -5.975 -14.548 -4.827 1.00 0.00 C ATOM 871 CE LYS A 55 -4.883 -15.557 -4.464 1.00 0.00 C ATOM 872 NZ LYS A 55 -3.701 -15.150 -5.271 1.00 0.00 N ATOM 0 H LYS A 55 -8.853 -13.072 -2.300 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.255 -12.147 -4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.296 -14.365 -3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.484 -14.241 -5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.928 -14.311 -2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.381 -15.780 -3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.292 -14.695 -5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.585 -13.533 -4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.661 -15.532 -3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.191 -16.575 -4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.909 -15.796 -5.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.941 -15.190 -6.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.426 -14.179 -5.019 1.00 0.00 H new ATOM 886 N GLU A 56 -10.457 -11.568 -4.595 1.00 0.00 N ATOM 887 CA GLU A 56 -11.515 -10.843 -5.355 1.00 0.00 C ATOM 888 C GLU A 56 -11.612 -9.395 -4.867 1.00 0.00 C ATOM 889 O GLU A 56 -11.747 -8.474 -5.650 1.00 0.00 O ATOM 890 CB GLU A 56 -12.805 -11.602 -5.050 1.00 0.00 C ATOM 891 CG GLU A 56 -12.866 -12.862 -5.914 1.00 0.00 C ATOM 892 CD GLU A 56 -14.287 -13.430 -5.891 1.00 0.00 C ATOM 893 OE1 GLU A 56 -15.132 -12.887 -6.582 1.00 0.00 O ATOM 894 OE2 GLU A 56 -14.504 -14.399 -5.182 1.00 0.00 O ATOM 0 H GLU A 56 -10.739 -11.895 -3.671 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.309 -10.804 -6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.842 -11.869 -3.994 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.669 -10.968 -5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.573 -12.628 -6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.160 -13.605 -5.542 1.00 0.00 H new ATOM 901 N LYS A 57 -11.541 -9.194 -3.575 1.00 0.00 N ATOM 902 CA LYS A 57 -11.623 -7.806 -3.022 1.00 0.00 C ATOM 903 C LYS A 57 -10.480 -6.944 -3.571 1.00 0.00 C ATOM 904 O LYS A 57 -10.576 -5.732 -3.616 1.00 0.00 O ATOM 905 CB LYS A 57 -11.488 -7.968 -1.507 1.00 0.00 C ATOM 906 CG LYS A 57 -12.874 -8.158 -0.887 1.00 0.00 C ATOM 907 CD LYS A 57 -12.729 -8.470 0.604 1.00 0.00 C ATOM 908 CE LYS A 57 -13.990 -8.020 1.345 1.00 0.00 C ATOM 909 NZ LYS A 57 -14.063 -8.897 2.546 1.00 0.00 N ATOM 0 H LYS A 57 -11.430 -9.931 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.555 -7.312 -3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.855 -8.825 -1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.004 -7.090 -1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.472 -7.257 -1.024 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.401 -8.969 -1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.571 -9.539 0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.855 -7.961 1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.929 -6.969 1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.876 -8.131 0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.993 -9.362 2.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.317 -9.619 2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.931 -8.323 3.403 1.00 0.00 H new ATOM 923 N SER A 58 -9.399 -7.561 -3.987 1.00 0.00 N ATOM 924 CA SER A 58 -8.247 -6.777 -4.532 1.00 0.00 C ATOM 925 C SER A 58 -8.663 -6.040 -5.808 1.00 0.00 C ATOM 926 O SER A 58 -8.169 -4.968 -6.103 1.00 0.00 O ATOM 927 CB SER A 58 -7.165 -7.812 -4.842 1.00 0.00 C ATOM 928 OG SER A 58 -7.665 -8.743 -5.792 1.00 0.00 O ATOM 0 H SER A 58 -9.266 -8.572 -3.972 1.00 0.00 H new ATOM 0 HA SER A 58 -7.897 -6.023 -3.828 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.275 -7.319 -5.233 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.868 -8.329 -3.930 1.00 0.00 H new ATOM 0 HG SER A 58 -6.973 -9.407 -5.994 1.00 0.00 H new ATOM 934 N LYS A 59 -9.570 -6.608 -6.563 1.00 0.00 N ATOM 935 CA LYS A 59 -10.024 -5.944 -7.824 1.00 0.00 C ATOM 936 C LYS A 59 -10.831 -4.685 -7.497 1.00 0.00 C ATOM 937 O LYS A 59 -10.834 -3.728 -8.248 1.00 0.00 O ATOM 938 CB LYS A 59 -10.906 -6.977 -8.529 1.00 0.00 C ATOM 939 CG LYS A 59 -11.174 -6.523 -9.966 1.00 0.00 C ATOM 940 CD LYS A 59 -11.685 -7.706 -10.789 1.00 0.00 C ATOM 941 CE LYS A 59 -13.215 -7.744 -10.737 1.00 0.00 C ATOM 942 NZ LYS A 59 -13.539 -8.724 -9.664 1.00 0.00 N ATOM 0 H LYS A 59 -10.016 -7.503 -6.361 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.186 -5.633 -8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.415 -7.950 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.847 -7.095 -7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.908 -5.718 -9.973 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.261 -6.126 -10.409 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.348 -7.616 -11.822 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.274 -8.638 -10.400 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.627 -6.760 -10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.635 -8.053 -11.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.323 -8.359 -9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.818 -9.629 -10.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.703 -8.869 -9.062 1.00 0.00 H new ATOM 956 N PHE A 60 -11.512 -4.681 -6.379 1.00 0.00 N ATOM 957 CA PHE A 60 -12.322 -3.487 -5.993 1.00 0.00 C ATOM 958 C PHE A 60 -11.463 -2.500 -5.197 1.00 0.00 C ATOM 959 O PHE A 60 -11.694 -1.306 -5.221 1.00 0.00 O ATOM 960 CB PHE A 60 -13.450 -4.040 -5.122 1.00 0.00 C ATOM 961 CG PHE A 60 -14.461 -4.745 -5.995 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.462 -4.010 -6.640 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.397 -6.134 -6.158 1.00 0.00 C ATOM 964 CE1 PHE A 60 -16.398 -4.663 -7.451 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.334 -6.788 -6.968 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.335 -6.053 -7.614 1.00 0.00 C ATOM 0 H PHE A 60 -11.542 -5.455 -5.716 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.703 -2.948 -6.860 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.047 -4.732 -4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.930 -3.230 -4.573 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.513 -2.939 -6.512 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.625 -6.701 -5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -17.169 -4.095 -7.951 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.284 -7.859 -7.094 1.00 0.00 H new ATOM 0 HZ PHE A 60 -17.058 -6.557 -8.238 1.00 0.00 H new ATOM 976 N GLU A 61 -10.475 -2.994 -4.494 1.00 0.00 N ATOM 977 CA GLU A 61 -9.594 -2.091 -3.692 1.00 0.00 C ATOM 978 C GLU A 61 -8.564 -1.414 -4.602 1.00 0.00 C ATOM 979 O GLU A 61 -8.114 -0.316 -4.334 1.00 0.00 O ATOM 980 CB GLU A 61 -8.899 -3.004 -2.681 1.00 0.00 C ATOM 981 CG GLU A 61 -8.380 -2.169 -1.510 1.00 0.00 C ATOM 982 CD GLU A 61 -7.950 -3.094 -0.371 1.00 0.00 C ATOM 983 OE1 GLU A 61 -6.875 -3.662 -0.469 1.00 0.00 O ATOM 984 OE2 GLU A 61 -8.704 -3.221 0.580 1.00 0.00 O ATOM 0 H GLU A 61 -10.240 -3.985 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.156 -1.297 -3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.595 -3.761 -2.321 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.074 -3.531 -3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.538 -1.556 -1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.157 -1.487 -1.164 1.00 0.00 H new ATOM 991 N ASP A 62 -8.192 -2.065 -5.675 1.00 0.00 N ATOM 992 CA ASP A 62 -7.191 -1.465 -6.610 1.00 0.00 C ATOM 993 C ASP A 62 -7.851 -0.377 -7.462 1.00 0.00 C ATOM 994 O ASP A 62 -7.210 0.569 -7.880 1.00 0.00 O ATOM 995 CB ASP A 62 -6.721 -2.624 -7.492 1.00 0.00 C ATOM 996 CG ASP A 62 -5.451 -2.215 -8.239 1.00 0.00 C ATOM 997 OD1 ASP A 62 -4.453 -1.970 -7.582 1.00 0.00 O ATOM 998 OD2 ASP A 62 -5.497 -2.153 -9.457 1.00 0.00 O ATOM 0 H ASP A 62 -8.538 -2.986 -5.944 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.362 -0.997 -6.080 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.528 -3.505 -6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.502 -2.894 -8.202 1.00 0.00 H new ATOM 1003 N MET A 63 -9.128 -0.507 -7.718 1.00 0.00 N ATOM 1004 CA MET A 63 -9.840 0.517 -8.541 1.00 0.00 C ATOM 1005 C MET A 63 -10.224 1.718 -7.672 1.00 0.00 C ATOM 1006 O MET A 63 -10.304 2.836 -8.145 1.00 0.00 O ATOM 1007 CB MET A 63 -11.092 -0.191 -9.061 1.00 0.00 C ATOM 1008 CG MET A 63 -10.716 -1.104 -10.229 1.00 0.00 C ATOM 1009 SD MET A 63 -10.435 -0.103 -11.711 1.00 0.00 S ATOM 1010 CE MET A 63 -8.631 -0.244 -11.740 1.00 0.00 C ATOM 0 H MET A 63 -9.709 -1.279 -7.392 1.00 0.00 H new ATOM 0 HA MET A 63 -9.221 0.897 -9.354 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.550 -0.775 -8.263 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.830 0.543 -9.383 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.819 -1.673 -9.986 1.00 0.00 H new ATOM 0 HG3 MET A 63 -11.512 -1.826 -10.411 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.193 0.732 -11.949 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.278 -0.600 -10.772 1.00 0.00 H new ATOM 0 HE3 MET A 63 -8.334 -0.949 -12.516 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.460 1.490 -6.405 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.838 2.614 -5.495 1.00 0.00 C ATOM 1022 C ALA A 64 -9.587 3.375 -5.049 1.00 0.00 C ATOM 1023 O ALA A 64 -9.635 4.559 -4.777 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.515 1.945 -4.298 1.00 0.00 C ATOM 0 H ALA A 64 -10.407 0.573 -5.961 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.493 3.337 -5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.823 2.707 -3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.390 1.391 -4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.815 1.259 -3.820 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.469 2.698 -4.973 1.00 0.00 N ATOM 1031 CA LYS A 65 -7.205 3.375 -4.547 1.00 0.00 C ATOM 1032 C LYS A 65 -6.693 4.287 -5.665 1.00 0.00 C ATOM 1033 O LYS A 65 -6.060 5.295 -5.414 1.00 0.00 O ATOM 1034 CB LYS A 65 -6.212 2.242 -4.281 1.00 0.00 C ATOM 1035 CG LYS A 65 -5.028 2.780 -3.475 1.00 0.00 C ATOM 1036 CD LYS A 65 -5.454 2.993 -2.022 1.00 0.00 C ATOM 1037 CE LYS A 65 -4.251 3.458 -1.198 1.00 0.00 C ATOM 1038 NZ LYS A 65 -4.795 3.720 0.163 1.00 0.00 N ATOM 0 H LYS A 65 -8.376 1.705 -5.188 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.350 4.001 -3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.701 1.436 -3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.863 1.821 -5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.194 2.079 -3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.679 3.719 -3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.251 3.735 -1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.854 2.066 -1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.472 2.696 -1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.804 4.356 -1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.028 4.043 0.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.529 4.454 0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.208 2.846 0.546 1.00 0.00 H new ATOM 1052 N SER A 66 -6.966 3.937 -6.897 1.00 0.00 N ATOM 1053 CA SER A 66 -6.500 4.781 -8.041 1.00 0.00 C ATOM 1054 C SER A 66 -7.168 6.158 -7.984 1.00 0.00 C ATOM 1055 O SER A 66 -6.556 7.166 -8.284 1.00 0.00 O ATOM 1056 CB SER A 66 -6.931 4.029 -9.301 1.00 0.00 C ATOM 1057 OG SER A 66 -6.244 4.564 -10.425 1.00 0.00 O ATOM 0 H SER A 66 -7.491 3.103 -7.161 1.00 0.00 H new ATOM 0 HA SER A 66 -5.423 4.945 -8.018 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.711 2.966 -9.198 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.008 4.119 -9.442 1.00 0.00 H new ATOM 0 HG SER A 66 -6.517 4.083 -11.234 1.00 0.00 H new ATOM 1063 N ASP A 67 -8.418 6.203 -7.600 1.00 0.00 N ATOM 1064 CA ASP A 67 -9.136 7.510 -7.518 1.00 0.00 C ATOM 1065 C ASP A 67 -8.909 8.151 -6.145 1.00 0.00 C ATOM 1066 O ASP A 67 -8.916 9.360 -6.008 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.613 7.163 -7.710 1.00 0.00 C ATOM 1068 CG ASP A 67 -10.882 6.878 -9.189 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -11.076 7.828 -9.930 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -10.889 5.714 -9.555 1.00 0.00 O ATOM 0 H ASP A 67 -8.974 5.388 -7.339 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.785 8.223 -8.264 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.874 6.293 -7.108 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.239 7.987 -7.368 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.707 7.346 -5.133 1.00 0.00 N ATOM 1076 CA LYS A 68 -8.477 7.901 -3.763 1.00 0.00 C ATOM 1077 C LYS A 68 -7.092 8.550 -3.685 1.00 0.00 C ATOM 1078 O LYS A 68 -6.881 9.490 -2.940 1.00 0.00 O ATOM 1079 CB LYS A 68 -8.559 6.696 -2.822 1.00 0.00 C ATOM 1080 CG LYS A 68 -8.619 7.180 -1.371 1.00 0.00 C ATOM 1081 CD LYS A 68 -7.216 7.153 -0.761 1.00 0.00 C ATOM 1082 CE LYS A 68 -7.188 8.027 0.495 1.00 0.00 C ATOM 1083 NZ LYS A 68 -7.852 7.210 1.547 1.00 0.00 N ATOM 0 H LYS A 68 -8.691 6.328 -5.195 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.206 8.668 -3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.442 6.100 -3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.692 6.051 -2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.024 8.191 -1.331 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.290 6.545 -0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.936 6.130 -0.511 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.486 7.515 -1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.166 8.279 0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.716 8.967 0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.595 7.774 2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.276 6.365 1.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.149 6.920 2.256 1.00 0.00 H new ATOM 1097 N ALA A 69 -6.152 8.054 -4.448 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.777 8.637 -4.427 1.00 0.00 C ATOM 1099 C ALA A 69 -4.682 9.805 -5.411 1.00 0.00 C ATOM 1100 O ALA A 69 -3.913 10.728 -5.220 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.857 7.496 -4.859 1.00 0.00 C ATOM 0 H ALA A 69 -6.278 7.268 -5.086 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.509 9.027 -3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.824 7.845 -4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.953 6.666 -4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.137 7.161 -5.858 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.461 9.770 -6.463 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.424 10.878 -7.468 1.00 0.00 C ATOM 1109 C ARG A 70 -5.865 12.192 -6.819 1.00 0.00 C ATOM 1110 O ARG A 70 -5.419 13.260 -7.195 1.00 0.00 O ATOM 1111 CB ARG A 70 -6.409 10.466 -8.564 1.00 0.00 C ATOM 1112 CG ARG A 70 -6.023 11.145 -9.879 1.00 0.00 C ATOM 1113 CD ARG A 70 -6.731 10.447 -11.042 1.00 0.00 C ATOM 1114 NE ARG A 70 -5.787 10.558 -12.188 1.00 0.00 N ATOM 1115 CZ ARG A 70 -5.568 9.526 -12.956 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -4.945 8.482 -12.483 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -5.974 9.538 -14.197 1.00 0.00 N ATOM 0 H ARG A 70 -6.122 9.021 -6.670 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.422 11.036 -7.866 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.402 9.383 -8.686 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.423 10.748 -8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.300 12.199 -9.851 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.943 11.103 -10.019 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.945 9.405 -10.806 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.684 10.925 -11.268 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.311 11.441 -12.373 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.629 8.473 -11.513 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.774 7.675 -13.083 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.462 10.354 -14.566 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.803 8.731 -14.797 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.739 12.119 -5.846 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.216 13.363 -5.165 1.00 0.00 C ATOM 1133 C TYR A 71 -6.051 14.048 -4.445 1.00 0.00 C ATOM 1134 O TYR A 71 -6.033 15.254 -4.286 1.00 0.00 O ATOM 1135 CB TYR A 71 -8.268 12.894 -4.158 1.00 0.00 C ATOM 1136 CG TYR A 71 -9.146 14.060 -3.769 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -8.709 14.972 -2.801 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -10.395 14.227 -4.377 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -9.524 16.052 -2.440 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -11.210 15.308 -4.016 1.00 0.00 C ATOM 1141 CZ TYR A 71 -10.774 16.221 -3.048 1.00 0.00 C ATOM 1142 OH TYR A 71 -11.576 17.286 -2.692 1.00 0.00 O ATOM 0 H TYR A 71 -7.143 11.251 -5.493 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.626 14.086 -5.870 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.873 12.098 -4.592 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.782 12.480 -3.274 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.744 14.843 -2.333 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.731 13.523 -5.124 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.188 16.755 -1.692 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.175 15.437 -4.484 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.408 17.256 -3.209 1.00 0.00 H new ATOM 1152 N ASP A 72 -5.081 13.285 -4.008 1.00 0.00 N ATOM 1153 CA ASP A 72 -3.912 13.883 -3.296 1.00 0.00 C ATOM 1154 C ASP A 72 -2.775 14.158 -4.284 1.00 0.00 C ATOM 1155 O ASP A 72 -1.631 13.834 -4.030 1.00 0.00 O ATOM 1156 CB ASP A 72 -3.491 12.827 -2.273 1.00 0.00 C ATOM 1157 CG ASP A 72 -2.583 13.468 -1.222 1.00 0.00 C ATOM 1158 OD1 ASP A 72 -3.093 14.212 -0.400 1.00 0.00 O ATOM 1159 OD2 ASP A 72 -1.391 13.206 -1.256 1.00 0.00 O ATOM 0 H ASP A 72 -5.049 12.271 -4.114 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.157 14.834 -2.823 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.371 12.397 -1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.968 12.011 -2.771 1.00 0.00 H new ATOM 1164 N ARG A 73 -3.087 14.752 -5.407 1.00 0.00 N ATOM 1165 CA ARG A 73 -2.031 15.052 -6.420 1.00 0.00 C ATOM 1166 C ARG A 73 -2.427 16.276 -7.251 1.00 0.00 C ATOM 1167 O ARG A 73 -1.622 17.155 -7.498 1.00 0.00 O ATOM 1168 CB ARG A 73 -1.962 13.806 -7.302 1.00 0.00 C ATOM 1169 CG ARG A 73 -1.039 12.772 -6.654 1.00 0.00 C ATOM 1170 CD ARG A 73 -0.509 11.816 -7.726 1.00 0.00 C ATOM 1171 NE ARG A 73 0.771 11.294 -7.176 1.00 0.00 N ATOM 1172 CZ ARG A 73 1.061 10.025 -7.287 1.00 0.00 C ATOM 1173 NH1 ARG A 73 1.457 9.546 -8.435 1.00 0.00 N ATOM 1174 NH2 ARG A 73 0.953 9.238 -6.252 1.00 0.00 N ATOM 0 H ARG A 73 -4.030 15.043 -5.667 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.070 15.279 -5.959 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.959 13.386 -7.435 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.592 14.069 -8.293 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.209 13.272 -6.155 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.580 12.214 -5.890 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.215 11.008 -7.918 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.351 12.333 -8.673 1.00 0.00 H new ATOM 0 HE ARG A 73 1.422 11.927 -6.712 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.540 10.162 -9.244 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.684 8.555 -8.523 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.642 9.613 -5.356 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.179 8.247 -6.339 1.00 0.00 H new ATOM 1188 N GLU A 74 -3.662 16.337 -7.681 1.00 0.00 N ATOM 1189 CA GLU A 74 -4.120 17.503 -8.498 1.00 0.00 C ATOM 1190 C GLU A 74 -4.273 18.741 -7.612 1.00 0.00 C ATOM 1191 O GLU A 74 -4.110 19.860 -8.062 1.00 0.00 O ATOM 1192 CB GLU A 74 -5.475 17.084 -9.073 1.00 0.00 C ATOM 1193 CG GLU A 74 -5.907 18.087 -10.145 1.00 0.00 C ATOM 1194 CD GLU A 74 -7.117 17.535 -10.901 1.00 0.00 C ATOM 1195 OE1 GLU A 74 -7.052 16.396 -11.333 1.00 0.00 O ATOM 1196 OE2 GLU A 74 -8.088 18.262 -11.036 1.00 0.00 O ATOM 0 H GLU A 74 -4.374 15.629 -7.502 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.409 17.759 -9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.407 16.084 -9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.221 17.040 -8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.157 19.043 -9.684 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.086 18.272 -10.837 1.00 0.00 H new ATOM 1203 N MET A 75 -4.584 18.547 -6.356 1.00 0.00 N ATOM 1204 CA MET A 75 -4.749 19.708 -5.430 1.00 0.00 C ATOM 1205 C MET A 75 -3.391 20.123 -4.856 1.00 0.00 C ATOM 1206 O MET A 75 -3.034 21.286 -4.865 1.00 0.00 O ATOM 1207 CB MET A 75 -5.668 19.201 -4.318 1.00 0.00 C ATOM 1208 CG MET A 75 -7.120 19.243 -4.798 1.00 0.00 C ATOM 1209 SD MET A 75 -7.733 20.944 -4.719 1.00 0.00 S ATOM 1210 CE MET A 75 -8.017 21.002 -2.932 1.00 0.00 C ATOM 0 H MET A 75 -4.731 17.632 -5.931 1.00 0.00 H new ATOM 0 HA MET A 75 -5.162 20.582 -5.933 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.394 18.183 -4.041 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.551 19.816 -3.426 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.188 18.868 -5.819 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.738 18.593 -4.178 1.00 0.00 H new ATOM 0 HE1 MET A 75 -9.079 21.151 -2.737 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.694 20.063 -2.482 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.449 21.826 -2.500 1.00 0.00 H new ATOM 1220 N LYS A 76 -2.635 19.177 -4.359 1.00 0.00 N ATOM 1221 CA LYS A 76 -1.297 19.505 -3.782 1.00 0.00 C ATOM 1222 C LYS A 76 -0.185 19.051 -4.731 1.00 0.00 C ATOM 1223 O LYS A 76 0.082 17.872 -4.867 1.00 0.00 O ATOM 1224 CB LYS A 76 -1.232 18.726 -2.468 1.00 0.00 C ATOM 1225 CG LYS A 76 -2.118 19.408 -1.424 1.00 0.00 C ATOM 1226 CD LYS A 76 -1.372 20.603 -0.825 1.00 0.00 C ATOM 1227 CE LYS A 76 -2.152 21.140 0.378 1.00 0.00 C ATOM 1228 NZ LYS A 76 -3.285 21.907 -0.210 1.00 0.00 N ATOM 0 H LYS A 76 -2.888 18.189 -4.328 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.165 20.576 -3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.562 17.699 -2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.203 18.679 -2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.050 19.740 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.384 18.700 -0.639 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.370 20.303 -0.518 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.255 21.385 -1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.511 20.328 1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.526 21.777 1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.231 22.898 0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.231 21.865 -1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.185 21.494 0.107 1.00 0.00 H new ATOM 1242 N ASN A 77 0.463 19.980 -5.388 1.00 0.00 N ATOM 1243 CA ASN A 77 1.560 19.613 -6.332 1.00 0.00 C ATOM 1244 C ASN A 77 2.919 19.734 -5.636 1.00 0.00 C ATOM 1245 O ASN A 77 3.700 18.803 -5.739 1.00 0.00 O ATOM 1246 CB ASN A 77 1.451 20.620 -7.477 1.00 0.00 C ATOM 1247 CG ASN A 77 0.230 20.288 -8.335 1.00 0.00 C ATOM 1248 OD1 ASN A 77 -0.868 20.164 -7.829 1.00 0.00 O ATOM 1249 ND2 ASN A 77 0.374 20.137 -9.623 1.00 0.00 N ATOM 1250 OXT ASN A 77 3.153 20.756 -5.012 1.00 0.00 O ATOM 0 H ASN A 77 0.278 20.980 -5.310 1.00 0.00 H new ATOM 0 HA ASN A 77 1.475 18.585 -6.685 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.365 21.631 -7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.355 20.593 -8.086 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.434 19.915 -10.204 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.295 20.241 -10.049 1.00 0.00 H new TER 1257 ASN A 77