USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 744 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 82 SER OG : rot -158:sc= 0.601 USER MOD Set 1.2: A 87 HIS : no HE2:sc= -7.4! C(o=-6.8!,f=-13!) USER MOD Set 2.1: A 9 SER OG : rot 113:sc= 1.33 USER MOD Set 2.2: A 51 ASN : amide:sc= -0.0669 K(o=1.3,f=-0.1) USER MOD Set 3.1: A 10 HIS : no HD1:sc= -5.24! C(o=-5.7!,f=-0.7!) USER MOD Set 3.2: A 40 SER OG : rot -170:sc= 0.371 USER MOD Set 3.3: A 45 SER OG : rot -177:sc= -0.797 USER MOD Single : A 1 GLY N :NH3+ -105:sc= -0.339 (180deg=-1.7!) USER MOD Single : A 3 SER OG : rot 180:sc= -0.198 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -113:sc= 0.74 (180deg=-0.39) USER MOD Single : A 8 CYS SG : rot -134:sc= -3.02! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 157:sc= -0.0614 (180deg=-0.382) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00507) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 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 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.028 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= 0.308 (180deg=0.189) USER MOD Single : A 49 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.095) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -151:sc= -0.146 (180deg=-0.859) USER MOD Single : A 62 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00565) USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0762) USER MOD Single : A 72 GLN : amide:sc= -0.0116 K(o=-0.012,f=-0.54) USER MOD Single : A 77 SER OG : rot -140:sc= -1.25! USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= -0.0665 (180deg=-0.448) USER MOD Single : A 86 TYR OH : rot -166:sc= -0.425 USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.491) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.150 2.413 -16.186 1.00 55.14 N ATOM 2 CA GLY A 1 2.266 1.524 -15.455 1.00 21.11 C ATOM 3 C GLY A 1 2.019 1.992 -14.034 1.00 2.02 C ATOM 4 O GLY A 1 0.948 2.499 -13.702 1.00 63.52 O ATOM 0 H1 GLY A 1 2.595 2.978 -16.860 1.00 55.14 H new ATOM 0 H2 GLY A 1 3.634 3.048 -15.519 1.00 55.14 H new ATOM 0 H3 GLY A 1 3.856 1.852 -16.704 1.00 55.14 H new ATOM 0 HA2 GLY A 1 1.314 1.450 -15.981 1.00 21.11 H new ATOM 0 HA3 GLY A 1 2.697 0.523 -15.435 1.00 21.11 H new ATOM 8 N PRO A 2 3.029 1.822 -13.167 1.00 71.32 N ATOM 9 CA PRO A 2 2.941 2.223 -11.760 1.00 74.32 C ATOM 10 C PRO A 2 2.920 3.737 -11.590 1.00 0.32 C ATOM 11 O PRO A 2 3.784 4.442 -12.110 1.00 43.14 O ATOM 12 CB PRO A 2 4.209 1.632 -11.143 1.00 23.34 C ATOM 13 CG PRO A 2 5.167 1.521 -12.278 1.00 31.21 C ATOM 14 CD PRO A 2 4.334 1.225 -13.494 1.00 60.21 C ATOM 0 HA PRO A 2 2.021 1.872 -11.292 1.00 74.32 H new ATOM 0 HB2 PRO A 2 4.602 2.274 -10.355 1.00 23.34 H new ATOM 0 HB3 PRO A 2 4.014 0.658 -10.693 1.00 23.34 H new ATOM 0 HG2 PRO A 2 5.730 2.446 -12.406 1.00 31.21 H new ATOM 0 HG3 PRO A 2 5.893 0.728 -12.100 1.00 31.21 H new ATOM 0 HD2 PRO A 2 4.764 1.667 -14.393 1.00 60.21 H new ATOM 0 HD3 PRO A 2 4.252 0.153 -13.674 1.00 60.21 H new ATOM 22 N SER A 3 1.928 4.233 -10.856 1.00 33.21 N ATOM 23 CA SER A 3 1.794 5.666 -10.620 1.00 54.01 C ATOM 24 C SER A 3 1.094 5.933 -9.291 1.00 11.22 C ATOM 25 O SER A 3 0.448 5.050 -8.728 1.00 41.30 O ATOM 26 CB SER A 3 1.014 6.322 -11.761 1.00 73.30 C ATOM 27 OG SER A 3 1.455 5.844 -13.020 1.00 2.23 O ATOM 0 H SER A 3 1.206 3.664 -10.415 1.00 33.21 H new ATOM 0 HA SER A 3 2.794 6.098 -10.578 1.00 54.01 H new ATOM 0 HB2 SER A 3 -0.050 6.118 -11.643 1.00 73.30 H new ATOM 0 HB3 SER A 3 1.138 7.404 -11.715 1.00 73.30 H new ATOM 0 HG SER A 3 0.940 6.277 -13.733 1.00 2.23 H new ATOM 33 N ASN A 4 1.228 7.159 -8.796 1.00 14.24 N ATOM 34 CA ASN A 4 0.609 7.545 -7.532 1.00 40.20 C ATOM 35 C ASN A 4 -0.672 8.338 -7.773 1.00 40.32 C ATOM 36 O ASN A 4 -0.648 9.406 -8.385 1.00 54.13 O ATOM 37 CB ASN A 4 1.586 8.374 -6.695 1.00 33.53 C ATOM 38 CG ASN A 4 2.963 7.743 -6.619 1.00 33.53 C ATOM 39 OD1 ASN A 4 3.748 7.825 -7.562 1.00 52.22 O ATOM 40 ND2 ASN A 4 3.261 7.108 -5.491 1.00 20.13 N ATOM 0 H ASN A 4 1.759 7.902 -9.250 1.00 14.24 H new ATOM 0 HA ASN A 4 0.355 6.636 -6.988 1.00 40.20 H new ATOM 0 HB2 ASN A 4 1.670 9.373 -7.123 1.00 33.53 H new ATOM 0 HB3 ASN A 4 1.187 8.492 -5.687 1.00 33.53 H new ATOM 0 HD21 ASN A 4 4.172 6.663 -5.382 1.00 20.13 H new ATOM 0 HD22 ASN A 4 2.578 7.065 -4.734 1.00 20.13 H new ATOM 47 N LYS A 5 -1.789 7.809 -7.286 1.00 62.51 N ATOM 48 CA LYS A 5 -3.081 8.467 -7.446 1.00 63.54 C ATOM 49 C LYS A 5 -4.057 8.018 -6.364 1.00 53.01 C ATOM 50 O LYS A 5 -3.888 6.956 -5.764 1.00 21.51 O ATOM 51 CB LYS A 5 -3.662 8.164 -8.829 1.00 52.33 C ATOM 52 CG LYS A 5 -3.117 6.892 -9.454 1.00 44.32 C ATOM 53 CD LYS A 5 -3.417 5.676 -8.594 1.00 23.14 C ATOM 54 CE LYS A 5 -3.916 4.510 -9.433 1.00 31.32 C ATOM 55 NZ LYS A 5 -3.672 3.201 -8.765 1.00 24.12 N ATOM 0 H LYS A 5 -1.826 6.926 -6.777 1.00 62.51 H new ATOM 0 HA LYS A 5 -2.928 9.542 -7.350 1.00 63.54 H new ATOM 0 HB2 LYS A 5 -4.746 8.083 -8.748 1.00 52.33 H new ATOM 0 HB3 LYS A 5 -3.453 9.003 -9.493 1.00 52.33 H new ATOM 0 HG2 LYS A 5 -3.553 6.756 -10.443 1.00 44.32 H new ATOM 0 HG3 LYS A 5 -2.040 6.985 -9.591 1.00 44.32 H new ATOM 0 HD2 LYS A 5 -2.517 5.379 -8.055 1.00 23.14 H new ATOM 0 HD3 LYS A 5 -4.166 5.934 -7.846 1.00 23.14 H new ATOM 0 HE2 LYS A 5 -4.983 4.628 -9.621 1.00 31.32 H new ATOM 0 HE3 LYS A 5 -3.418 4.521 -10.403 1.00 31.32 H new ATOM 0 HZ1 LYS A 5 -4.026 2.432 -9.369 1.00 24.12 H new ATOM 0 HZ2 LYS A 5 -2.651 3.076 -8.608 1.00 24.12 H new ATOM 0 HZ3 LYS A 5 -4.168 3.180 -7.851 1.00 24.12 H new ATOM 69 N ILE A 6 -5.078 8.832 -6.121 1.00 15.04 N ATOM 70 CA ILE A 6 -6.083 8.516 -5.113 1.00 43.03 C ATOM 71 C ILE A 6 -7.432 9.134 -5.468 1.00 43.00 C ATOM 72 O ILE A 6 -7.498 10.151 -6.158 1.00 55.22 O ATOM 73 CB ILE A 6 -5.656 9.012 -3.718 1.00 74.40 C ATOM 74 CG1 ILE A 6 -5.421 10.523 -3.740 1.00 1.14 C ATOM 75 CG2 ILE A 6 -4.404 8.282 -3.258 1.00 64.42 C ATOM 76 CD1 ILE A 6 -5.719 11.199 -2.420 1.00 3.34 C ATOM 0 H ILE A 6 -5.232 9.715 -6.608 1.00 15.04 H new ATOM 0 HA ILE A 6 -6.178 7.430 -5.091 1.00 43.03 H new ATOM 0 HB ILE A 6 -6.458 8.799 -3.011 1.00 74.40 H new ATOM 0 HG12 ILE A 6 -4.384 10.717 -4.013 1.00 1.14 H new ATOM 0 HG13 ILE A 6 -6.044 10.968 -4.516 1.00 1.14 H new ATOM 0 HG21 ILE A 6 -4.114 8.643 -2.271 1.00 64.42 H new ATOM 0 HG22 ILE A 6 -4.604 7.212 -3.209 1.00 64.42 H new ATOM 0 HG23 ILE A 6 -3.595 8.467 -3.964 1.00 64.42 H new ATOM 0 HD11 ILE A 6 -5.530 12.269 -2.508 1.00 3.34 H new ATOM 0 HD12 ILE A 6 -6.764 11.035 -2.155 1.00 3.34 H new ATOM 0 HD13 ILE A 6 -5.078 10.781 -1.644 1.00 3.34 H new ATOM 88 N LYS A 7 -8.505 8.513 -4.990 1.00 43.03 N ATOM 89 CA LYS A 7 -9.853 9.002 -5.255 1.00 31.15 C ATOM 90 C LYS A 7 -10.160 10.233 -4.407 1.00 42.52 C ATOM 91 O LYS A 7 -9.720 10.335 -3.262 1.00 51.41 O ATOM 92 CB LYS A 7 -10.881 7.904 -4.969 1.00 41.30 C ATOM 93 CG LYS A 7 -11.776 7.588 -6.154 1.00 1.13 C ATOM 94 CD LYS A 7 -13.139 7.088 -5.705 1.00 4.35 C ATOM 95 CE LYS A 7 -14.243 8.064 -6.082 1.00 44.20 C ATOM 96 NZ LYS A 7 -15.596 7.476 -5.881 1.00 22.13 N ATOM 0 H LYS A 7 -8.467 7.670 -4.417 1.00 43.03 H new ATOM 0 HA LYS A 7 -9.912 9.282 -6.307 1.00 31.15 H new ATOM 0 HB2 LYS A 7 -10.357 6.997 -4.667 1.00 41.30 H new ATOM 0 HB3 LYS A 7 -11.502 8.209 -4.126 1.00 41.30 H new ATOM 0 HG2 LYS A 7 -11.899 8.481 -6.767 1.00 1.13 H new ATOM 0 HG3 LYS A 7 -11.299 6.834 -6.781 1.00 1.13 H new ATOM 0 HD2 LYS A 7 -13.339 6.118 -6.159 1.00 4.35 H new ATOM 0 HD3 LYS A 7 -13.136 6.940 -4.625 1.00 4.35 H new ATOM 0 HE2 LYS A 7 -14.148 8.969 -5.482 1.00 44.20 H new ATOM 0 HE3 LYS A 7 -14.126 8.359 -7.125 1.00 44.20 H new ATOM 0 HZ1 LYS A 7 -16.060 7.350 -6.803 1.00 22.13 H new ATOM 0 HZ2 LYS A 7 -15.507 6.553 -5.409 1.00 22.13 H new ATOM 0 HZ3 LYS A 7 -16.167 8.113 -5.290 1.00 22.13 H new ATOM 110 N CYS A 8 -10.918 11.164 -4.977 1.00 62.34 N ATOM 111 CA CYS A 8 -11.285 12.387 -4.275 1.00 4.42 C ATOM 112 C CYS A 8 -12.229 13.238 -5.118 1.00 63.12 C ATOM 113 O CYS A 8 -12.294 13.084 -6.339 1.00 14.54 O ATOM 114 CB CYS A 8 -10.032 13.192 -3.922 1.00 22.05 C ATOM 115 SG CYS A 8 -9.043 13.685 -5.353 1.00 12.14 S ATOM 0 H CYS A 8 -11.290 11.094 -5.924 1.00 62.34 H new ATOM 0 HA CYS A 8 -11.801 12.107 -3.356 1.00 4.42 H new ATOM 0 HB2 CYS A 8 -10.330 14.086 -3.375 1.00 22.05 H new ATOM 0 HB3 CYS A 8 -9.410 12.600 -3.251 1.00 22.05 H new ATOM 0 HG CYS A 8 -7.788 13.441 -5.118 1.00 12.14 H new ATOM 121 N SER A 9 -12.959 14.133 -4.460 1.00 65.35 N ATOM 122 CA SER A 9 -13.904 15.003 -5.150 1.00 30.11 C ATOM 123 C SER A 9 -13.511 16.468 -4.988 1.00 25.04 C ATOM 124 O SER A 9 -12.402 16.781 -4.549 1.00 54.14 O ATOM 125 CB SER A 9 -15.319 14.781 -4.613 1.00 52.24 C ATOM 126 OG SER A 9 -15.653 13.404 -4.612 1.00 32.14 O ATOM 0 H SER A 9 -12.914 14.275 -3.451 1.00 65.35 H new ATOM 0 HA SER A 9 -13.882 14.754 -6.211 1.00 30.11 H new ATOM 0 HB2 SER A 9 -15.394 15.177 -3.600 1.00 52.24 H new ATOM 0 HB3 SER A 9 -16.034 15.332 -5.224 1.00 52.24 H new ATOM 0 HG SER A 9 -15.747 13.091 -3.688 1.00 32.14 H new ATOM 132 N HIS A 10 -14.427 17.364 -5.343 1.00 63.25 N ATOM 133 CA HIS A 10 -14.177 18.797 -5.237 1.00 72.44 C ATOM 134 C HIS A 10 -15.446 19.592 -5.528 1.00 42.33 C ATOM 135 O HIS A 10 -16.267 19.189 -6.354 1.00 10.11 O ATOM 136 CB HIS A 10 -13.067 19.215 -6.201 1.00 65.23 C ATOM 137 CG HIS A 10 -13.395 18.962 -7.640 1.00 51.23 C ATOM 138 ND1 HIS A 10 -13.579 19.975 -8.559 1.00 65.35 N ATOM 139 CD2 HIS A 10 -13.574 17.804 -8.318 1.00 41.31 C ATOM 140 CE1 HIS A 10 -13.856 19.449 -9.740 1.00 1.30 C ATOM 141 NE2 HIS A 10 -13.859 18.134 -9.621 1.00 4.32 N ATOM 0 H HIS A 10 -15.349 17.123 -5.707 1.00 63.25 H new ATOM 0 HA HIS A 10 -13.861 19.011 -4.216 1.00 72.44 H new ATOM 0 HB2 HIS A 10 -12.860 20.277 -6.065 1.00 65.23 H new ATOM 0 HB3 HIS A 10 -12.154 18.677 -5.945 1.00 65.23 H new ATOM 0 HD2 HIS A 10 -13.506 16.806 -7.910 1.00 41.31 H new ATOM 0 HE1 HIS A 10 -14.047 20.001 -10.648 1.00 1.30 H new ATOM 0 HE2 HIS A 10 -14.043 17.471 -10.374 1.00 4.32 H new ATOM 149 N ILE A 11 -15.600 20.721 -4.846 1.00 41.54 N ATOM 150 CA ILE A 11 -16.768 21.573 -5.032 1.00 41.25 C ATOM 151 C ILE A 11 -16.403 23.046 -4.891 1.00 43.33 C ATOM 152 O ILE A 11 -15.810 23.457 -3.892 1.00 53.45 O ATOM 153 CB ILE A 11 -17.879 21.232 -4.022 1.00 54.14 C ATOM 154 CG1 ILE A 11 -18.392 19.809 -4.255 1.00 25.21 C ATOM 155 CG2 ILE A 11 -19.020 22.233 -4.130 1.00 43.52 C ATOM 156 CD1 ILE A 11 -19.354 19.331 -3.190 1.00 30.30 C ATOM 0 H ILE A 11 -14.930 21.068 -4.159 1.00 41.54 H new ATOM 0 HA ILE A 11 -17.136 21.388 -6.041 1.00 41.25 H new ATOM 0 HB ILE A 11 -17.463 21.290 -3.016 1.00 54.14 H new ATOM 0 HG12 ILE A 11 -18.886 19.764 -5.226 1.00 25.21 H new ATOM 0 HG13 ILE A 11 -17.542 19.128 -4.298 1.00 25.21 H new ATOM 0 HG21 ILE A 11 -19.797 21.978 -3.410 1.00 43.52 H new ATOM 0 HG22 ILE A 11 -18.646 23.235 -3.921 1.00 43.52 H new ATOM 0 HG23 ILE A 11 -19.435 22.204 -5.137 1.00 43.52 H new ATOM 0 HD11 ILE A 11 -19.676 18.315 -3.420 1.00 30.30 H new ATOM 0 HD12 ILE A 11 -18.858 19.343 -2.220 1.00 30.30 H new ATOM 0 HD13 ILE A 11 -20.222 19.989 -3.162 1.00 30.30 H new ATOM 168 N LEU A 12 -16.763 23.839 -5.895 1.00 24.41 N ATOM 169 CA LEU A 12 -16.474 25.269 -5.883 1.00 70.43 C ATOM 170 C LEU A 12 -17.733 26.074 -5.581 1.00 54.31 C ATOM 171 O LEU A 12 -18.802 25.809 -6.134 1.00 25.24 O ATOM 172 CB LEU A 12 -15.887 25.702 -7.227 1.00 51.45 C ATOM 173 CG LEU A 12 -14.365 25.632 -7.349 1.00 1.31 C ATOM 174 CD1 LEU A 12 -13.704 26.503 -6.291 1.00 14.43 C ATOM 175 CD2 LEU A 12 -13.886 24.192 -7.232 1.00 42.53 C ATOM 0 H LEU A 12 -17.256 23.516 -6.728 1.00 24.41 H new ATOM 0 HA LEU A 12 -15.744 25.462 -5.097 1.00 70.43 H new ATOM 0 HB2 LEU A 12 -16.323 25.080 -8.008 1.00 51.45 H new ATOM 0 HB3 LEU A 12 -16.200 26.727 -7.424 1.00 51.45 H new ATOM 0 HG LEU A 12 -14.081 26.010 -8.331 1.00 1.31 H new ATOM 0 HD11 LEU A 12 -12.621 26.441 -6.393 1.00 14.43 H new ATOM 0 HD12 LEU A 12 -14.022 27.538 -6.421 1.00 14.43 H new ATOM 0 HD13 LEU A 12 -13.995 26.156 -5.300 1.00 14.43 H new ATOM 0 HD21 LEU A 12 -12.800 24.161 -7.321 1.00 42.53 H new ATOM 0 HD22 LEU A 12 -14.182 23.788 -6.264 1.00 42.53 H new ATOM 0 HD23 LEU A 12 -14.332 23.594 -8.027 1.00 42.53 H new ATOM 187 N VAL A 13 -17.601 27.063 -4.701 1.00 61.25 N ATOM 188 CA VAL A 13 -18.727 27.911 -4.329 1.00 31.04 C ATOM 189 C VAL A 13 -18.329 29.383 -4.326 1.00 33.32 C ATOM 190 O VAL A 13 -17.210 29.735 -4.698 1.00 74.45 O ATOM 191 CB VAL A 13 -19.276 27.535 -2.939 1.00 43.44 C ATOM 192 CG1 VAL A 13 -19.745 26.089 -2.923 1.00 70.13 C ATOM 193 CG2 VAL A 13 -18.222 27.775 -1.869 1.00 31.11 C ATOM 0 H VAL A 13 -16.725 27.296 -4.233 1.00 61.25 H new ATOM 0 HA VAL A 13 -19.505 27.750 -5.075 1.00 31.04 H new ATOM 0 HB VAL A 13 -20.134 28.171 -2.721 1.00 43.44 H new ATOM 0 HG11 VAL A 13 -20.129 25.842 -1.933 1.00 70.13 H new ATOM 0 HG12 VAL A 13 -20.534 25.954 -3.663 1.00 70.13 H new ATOM 0 HG13 VAL A 13 -18.908 25.432 -3.162 1.00 70.13 H new ATOM 0 HG21 VAL A 13 -18.626 27.504 -0.893 1.00 31.11 H new ATOM 0 HG22 VAL A 13 -17.344 27.165 -2.080 1.00 31.11 H new ATOM 0 HG23 VAL A 13 -17.940 28.828 -1.866 1.00 31.11 H new ATOM 203 N SER A 14 -19.253 30.238 -3.902 1.00 54.15 N ATOM 204 CA SER A 14 -19.001 31.674 -3.854 1.00 31.10 C ATOM 205 C SER A 14 -19.185 32.210 -2.438 1.00 30.12 C ATOM 206 O SER A 14 -19.125 33.418 -2.205 1.00 52.12 O ATOM 207 CB SER A 14 -19.936 32.411 -4.815 1.00 64.33 C ATOM 208 OG SER A 14 -19.375 32.483 -6.115 1.00 51.41 O ATOM 0 H SER A 14 -20.183 29.962 -3.587 1.00 54.15 H new ATOM 0 HA SER A 14 -17.969 31.847 -4.159 1.00 31.10 H new ATOM 0 HB2 SER A 14 -20.897 31.898 -4.858 1.00 64.33 H new ATOM 0 HB3 SER A 14 -20.128 33.417 -4.442 1.00 64.33 H new ATOM 0 HG SER A 14 -19.992 32.957 -6.712 1.00 51.41 H new ATOM 214 N LYS A 15 -19.409 31.303 -1.493 1.00 5.11 N ATOM 215 CA LYS A 15 -19.600 31.682 -0.097 1.00 64.05 C ATOM 216 C LYS A 15 -19.180 30.551 0.836 1.00 72.32 C ATOM 217 O LYS A 15 -19.361 29.375 0.520 1.00 32.14 O ATOM 218 CB LYS A 15 -21.064 32.050 0.156 1.00 62.14 C ATOM 219 CG LYS A 15 -22.051 31.066 -0.446 1.00 32.11 C ATOM 220 CD LYS A 15 -23.397 31.126 0.256 1.00 73.31 C ATOM 221 CE LYS A 15 -24.019 32.510 0.151 1.00 74.24 C ATOM 222 NZ LYS A 15 -25.504 32.444 0.059 1.00 13.13 N ATOM 0 H LYS A 15 -19.463 30.300 -1.668 1.00 5.11 H new ATOM 0 HA LYS A 15 -18.973 32.550 0.108 1.00 64.05 H new ATOM 0 HB2 LYS A 15 -21.234 32.111 1.231 1.00 62.14 H new ATOM 0 HB3 LYS A 15 -21.257 33.042 -0.254 1.00 62.14 H new ATOM 0 HG2 LYS A 15 -22.182 31.284 -1.506 1.00 32.11 H new ATOM 0 HG3 LYS A 15 -21.648 30.056 -0.376 1.00 32.11 H new ATOM 0 HD2 LYS A 15 -24.070 30.389 -0.182 1.00 73.31 H new ATOM 0 HD3 LYS A 15 -23.273 30.860 1.306 1.00 73.31 H new ATOM 0 HE2 LYS A 15 -23.735 33.103 1.020 1.00 74.24 H new ATOM 0 HE3 LYS A 15 -23.623 33.021 -0.727 1.00 74.24 H new ATOM 0 HZ1 LYS A 15 -25.891 33.407 -0.011 1.00 13.13 H new ATOM 0 HZ2 LYS A 15 -25.776 31.900 -0.784 1.00 13.13 H new ATOM 0 HZ3 LYS A 15 -25.884 31.979 0.908 1.00 13.13 H new ATOM 236 N GLN A 16 -18.620 30.915 1.985 1.00 31.10 N ATOM 237 CA GLN A 16 -18.177 29.930 2.964 1.00 22.20 C ATOM 238 C GLN A 16 -19.353 29.113 3.487 1.00 12.53 C ATOM 239 O GLN A 16 -19.202 27.943 3.841 1.00 42.52 O ATOM 240 CB GLN A 16 -17.463 30.622 4.128 1.00 73.44 C ATOM 241 CG GLN A 16 -15.971 30.805 3.903 1.00 22.20 C ATOM 242 CD GLN A 16 -15.171 30.703 5.187 1.00 25.12 C ATOM 243 OE1 GLN A 16 -15.043 29.625 5.768 1.00 30.10 O ATOM 244 NE2 GLN A 16 -14.627 31.828 5.637 1.00 70.21 N ATOM 0 H GLN A 16 -18.462 31.884 2.261 1.00 31.10 H new ATOM 0 HA GLN A 16 -17.480 29.253 2.470 1.00 22.20 H new ATOM 0 HB2 GLN A 16 -17.919 31.598 4.295 1.00 73.44 H new ATOM 0 HB3 GLN A 16 -17.616 30.039 5.036 1.00 73.44 H new ATOM 0 HG2 GLN A 16 -15.618 30.051 3.199 1.00 22.20 H new ATOM 0 HG3 GLN A 16 -15.793 31.778 3.445 1.00 22.20 H new ATOM 0 HE21 GLN A 16 -14.759 32.699 5.123 1.00 70.21 H new ATOM 0 HE22 GLN A 16 -14.077 31.821 6.496 1.00 70.21 H new ATOM 253 N SER A 17 -20.526 29.737 3.534 1.00 23.12 N ATOM 254 CA SER A 17 -21.729 29.069 4.017 1.00 5.12 C ATOM 255 C SER A 17 -22.029 27.824 3.189 1.00 23.24 C ATOM 256 O SER A 17 -22.723 26.916 3.645 1.00 11.24 O ATOM 257 CB SER A 17 -22.922 30.025 3.972 1.00 2.21 C ATOM 258 OG SER A 17 -24.115 29.337 3.641 1.00 61.33 O ATOM 0 H SER A 17 -20.669 30.704 3.243 1.00 23.12 H new ATOM 0 HA SER A 17 -21.556 28.764 5.049 1.00 5.12 H new ATOM 0 HB2 SER A 17 -23.037 30.514 4.940 1.00 2.21 H new ATOM 0 HB3 SER A 17 -22.736 30.810 3.239 1.00 2.21 H new ATOM 0 HG SER A 17 -24.863 29.970 3.620 1.00 61.33 H new ATOM 264 N GLU A 18 -21.500 27.789 1.970 1.00 42.32 N ATOM 265 CA GLU A 18 -21.712 26.656 1.077 1.00 12.23 C ATOM 266 C GLU A 18 -20.569 25.652 1.193 1.00 13.11 C ATOM 267 O GLU A 18 -20.794 24.462 1.408 1.00 31.30 O ATOM 268 CB GLU A 18 -21.841 27.135 -0.369 1.00 43.42 C ATOM 269 CG GLU A 18 -23.195 27.746 -0.690 1.00 12.51 C ATOM 270 CD GLU A 18 -23.257 28.323 -2.091 1.00 14.21 C ATOM 271 OE1 GLU A 18 -22.294 29.009 -2.493 1.00 52.34 O ATOM 272 OE2 GLU A 18 -24.269 28.090 -2.784 1.00 72.35 O ATOM 0 H GLU A 18 -20.922 28.532 1.578 1.00 42.32 H new ATOM 0 HA GLU A 18 -22.638 26.162 1.371 1.00 12.23 H new ATOM 0 HB2 GLU A 18 -21.063 27.871 -0.570 1.00 43.42 H new ATOM 0 HB3 GLU A 18 -21.664 26.293 -1.039 1.00 43.42 H new ATOM 0 HG2 GLU A 18 -23.968 26.985 -0.580 1.00 12.51 H new ATOM 0 HG3 GLU A 18 -23.415 28.532 0.033 1.00 12.51 H new ATOM 279 N ALA A 19 -19.342 26.141 1.047 1.00 44.53 N ATOM 280 CA ALA A 19 -18.164 25.289 1.135 1.00 44.34 C ATOM 281 C ALA A 19 -18.093 24.589 2.487 1.00 31.01 C ATOM 282 O ALA A 19 -17.773 23.402 2.569 1.00 63.44 O ATOM 283 CB ALA A 19 -16.902 26.105 0.894 1.00 54.21 C ATOM 0 H ALA A 19 -19.138 27.124 0.867 1.00 44.53 H new ATOM 0 HA ALA A 19 -18.241 24.524 0.362 1.00 44.34 H new ATOM 0 HB1 ALA A 19 -16.030 25.455 0.963 1.00 54.21 H new ATOM 0 HB2 ALA A 19 -16.943 26.554 -0.099 1.00 54.21 H new ATOM 0 HB3 ALA A 19 -16.828 26.892 1.645 1.00 54.21 H new ATOM 289 N LEU A 20 -18.393 25.330 3.548 1.00 73.01 N ATOM 290 CA LEU A 20 -18.363 24.780 4.900 1.00 53.13 C ATOM 291 C LEU A 20 -19.649 24.020 5.206 1.00 21.40 C ATOM 292 O LEU A 20 -19.796 23.438 6.281 1.00 52.55 O ATOM 293 CB LEU A 20 -18.162 25.899 5.922 1.00 70.12 C ATOM 294 CG LEU A 20 -17.581 25.478 7.273 1.00 62.34 C ATOM 295 CD1 LEU A 20 -16.128 25.055 7.119 1.00 31.20 C ATOM 296 CD2 LEU A 20 -17.704 26.610 8.283 1.00 73.24 C ATOM 0 H LEU A 20 -18.660 26.313 3.499 1.00 73.01 H new ATOM 0 HA LEU A 20 -17.527 24.083 4.965 1.00 53.13 H new ATOM 0 HB2 LEU A 20 -17.504 26.650 5.484 1.00 70.12 H new ATOM 0 HB3 LEU A 20 -19.124 26.381 6.097 1.00 70.12 H new ATOM 0 HG LEU A 20 -18.150 24.625 7.642 1.00 62.34 H new ATOM 0 HD11 LEU A 20 -15.730 24.759 8.090 1.00 31.20 H new ATOM 0 HD12 LEU A 20 -16.065 24.214 6.429 1.00 31.20 H new ATOM 0 HD13 LEU A 20 -15.546 25.889 6.728 1.00 31.20 H new ATOM 0 HD21 LEU A 20 -17.286 26.292 9.238 1.00 73.24 H new ATOM 0 HD22 LEU A 20 -17.160 27.482 7.920 1.00 73.24 H new ATOM 0 HD23 LEU A 20 -18.755 26.867 8.415 1.00 73.24 H new ATOM 308 N ALA A 21 -20.576 24.027 4.255 1.00 53.31 N ATOM 309 CA ALA A 21 -21.848 23.334 4.421 1.00 1.42 C ATOM 310 C ALA A 21 -21.737 21.873 4.005 1.00 25.44 C ATOM 311 O ALA A 21 -22.462 21.016 4.510 1.00 33.31 O ATOM 312 CB ALA A 21 -22.937 24.031 3.620 1.00 54.34 C ATOM 0 H ALA A 21 -20.470 24.505 3.360 1.00 53.31 H new ATOM 0 HA ALA A 21 -22.113 23.364 5.478 1.00 1.42 H new ATOM 0 HB1 ALA A 21 -23.881 23.503 3.753 1.00 54.34 H new ATOM 0 HB2 ALA A 21 -23.044 25.058 3.968 1.00 54.34 H new ATOM 0 HB3 ALA A 21 -22.668 24.032 2.564 1.00 54.34 H new ATOM 318 N ILE A 22 -20.823 21.593 3.082 1.00 45.42 N ATOM 319 CA ILE A 22 -20.616 20.234 2.598 1.00 30.42 C ATOM 320 C ILE A 22 -20.073 19.334 3.703 1.00 45.52 C ATOM 321 O ILE A 22 -20.242 18.116 3.665 1.00 3.53 O ATOM 322 CB ILE A 22 -19.646 20.203 1.402 1.00 23.43 C ATOM 323 CG1 ILE A 22 -20.220 21.004 0.231 1.00 23.44 C ATOM 324 CG2 ILE A 22 -19.367 18.767 0.984 1.00 22.30 C ATOM 325 CD1 ILE A 22 -19.493 22.305 -0.023 1.00 44.32 C ATOM 0 H ILE A 22 -20.214 22.290 2.654 1.00 45.42 H new ATOM 0 HA ILE A 22 -21.589 19.863 2.275 1.00 30.42 H new ATOM 0 HB ILE A 22 -18.705 20.662 1.704 1.00 23.43 H new ATOM 0 HG12 ILE A 22 -20.181 20.393 -0.671 1.00 23.44 H new ATOM 0 HG13 ILE A 22 -21.271 21.216 0.427 1.00 23.44 H new ATOM 0 HG21 ILE A 22 -18.680 18.761 0.138 1.00 22.30 H new ATOM 0 HG22 ILE A 22 -18.920 18.226 1.818 1.00 22.30 H new ATOM 0 HG23 ILE A 22 -20.301 18.284 0.696 1.00 22.30 H new ATOM 0 HD11 ILE A 22 -19.953 22.820 -0.866 1.00 44.32 H new ATOM 0 HD12 ILE A 22 -19.554 22.935 0.864 1.00 44.32 H new ATOM 0 HD13 ILE A 22 -18.447 22.099 -0.250 1.00 44.32 H new ATOM 337 N MET A 23 -19.420 19.944 4.688 1.00 43.12 N ATOM 338 CA MET A 23 -18.853 19.198 5.806 1.00 72.25 C ATOM 339 C MET A 23 -19.900 18.968 6.891 1.00 54.22 C ATOM 340 O MET A 23 -19.661 18.236 7.850 1.00 22.34 O ATOM 341 CB MET A 23 -17.652 19.945 6.388 1.00 34.34 C ATOM 342 CG MET A 23 -18.031 21.208 7.145 1.00 5.32 C ATOM 343 SD MET A 23 -17.674 21.095 8.909 1.00 71.41 S ATOM 344 CE MET A 23 -15.888 20.968 8.885 1.00 45.52 C ATOM 0 H MET A 23 -19.271 20.952 4.734 1.00 43.12 H new ATOM 0 HA MET A 23 -18.522 18.228 5.434 1.00 72.25 H new ATOM 0 HB2 MET A 23 -17.110 19.278 7.058 1.00 34.34 H new ATOM 0 HB3 MET A 23 -16.970 20.207 5.579 1.00 34.34 H new ATOM 0 HG2 MET A 23 -17.491 22.056 6.723 1.00 5.32 H new ATOM 0 HG3 MET A 23 -19.094 21.405 7.005 1.00 5.32 H new ATOM 0 HE1 MET A 23 -15.487 21.295 9.845 1.00 45.52 H new ATOM 0 HE2 MET A 23 -15.599 19.933 8.705 1.00 45.52 H new ATOM 0 HE3 MET A 23 -15.489 21.599 8.091 1.00 45.52 H new ATOM 354 N GLU A 24 -21.059 19.599 6.733 1.00 33.00 N ATOM 355 CA GLU A 24 -22.140 19.463 7.701 1.00 74.04 C ATOM 356 C GLU A 24 -23.258 18.582 7.149 1.00 23.43 C ATOM 357 O GLU A 24 -23.685 17.623 7.793 1.00 0.50 O ATOM 358 CB GLU A 24 -22.698 20.838 8.073 1.00 10.40 C ATOM 359 CG GLU A 24 -21.638 21.924 8.153 1.00 45.41 C ATOM 360 CD GLU A 24 -21.858 22.870 9.317 1.00 74.04 C ATOM 361 OE1 GLU A 24 -21.973 22.384 10.462 1.00 53.42 O ATOM 362 OE2 GLU A 24 -21.915 24.096 9.083 1.00 64.01 O ATOM 0 H GLU A 24 -21.273 20.209 5.944 1.00 33.00 H new ATOM 0 HA GLU A 24 -21.734 18.989 8.595 1.00 74.04 H new ATOM 0 HB2 GLU A 24 -23.448 21.128 7.337 1.00 10.40 H new ATOM 0 HB3 GLU A 24 -23.206 20.766 9.035 1.00 10.40 H new ATOM 0 HG2 GLU A 24 -20.656 21.461 8.247 1.00 45.41 H new ATOM 0 HG3 GLU A 24 -21.635 22.493 7.223 1.00 45.41 H new ATOM 369 N LYS A 25 -23.727 18.913 5.951 1.00 11.42 N ATOM 370 CA LYS A 25 -24.794 18.154 5.310 1.00 63.32 C ATOM 371 C LYS A 25 -24.427 16.676 5.215 1.00 74.42 C ATOM 372 O LYS A 25 -25.287 15.803 5.342 1.00 73.15 O ATOM 373 CB LYS A 25 -25.077 18.711 3.913 1.00 25.11 C ATOM 374 CG LYS A 25 -25.448 20.184 3.909 1.00 2.34 C ATOM 375 CD LYS A 25 -26.951 20.380 4.017 1.00 30.14 C ATOM 376 CE LYS A 25 -27.383 20.593 5.459 1.00 21.23 C ATOM 377 NZ LYS A 25 -28.786 20.150 5.691 1.00 62.45 N ATOM 0 H LYS A 25 -23.385 19.703 5.404 1.00 11.42 H new ATOM 0 HA LYS A 25 -25.692 18.250 5.921 1.00 63.32 H new ATOM 0 HB2 LYS A 25 -24.196 18.565 3.288 1.00 25.11 H new ATOM 0 HB3 LYS A 25 -25.887 18.140 3.461 1.00 25.11 H new ATOM 0 HG2 LYS A 25 -24.954 20.687 4.740 1.00 2.34 H new ATOM 0 HG3 LYS A 25 -25.084 20.649 2.993 1.00 2.34 H new ATOM 0 HD2 LYS A 25 -27.251 21.238 3.416 1.00 30.14 H new ATOM 0 HD3 LYS A 25 -27.463 19.509 3.608 1.00 30.14 H new ATOM 0 HE2 LYS A 25 -26.715 20.044 6.123 1.00 21.23 H new ATOM 0 HE3 LYS A 25 -27.289 21.649 5.714 1.00 21.23 H new ATOM 0 HZ1 LYS A 25 -29.041 20.312 6.686 1.00 62.45 H new ATOM 0 HZ2 LYS A 25 -29.427 20.691 5.076 1.00 62.45 H new ATOM 0 HZ3 LYS A 25 -28.871 19.137 5.473 1.00 62.45 H new ATOM 391 N LEU A 26 -23.147 16.401 4.991 1.00 55.51 N ATOM 392 CA LEU A 26 -22.667 15.029 4.880 1.00 22.22 C ATOM 393 C LEU A 26 -22.124 14.532 6.217 1.00 33.21 C ATOM 394 O LEU A 26 -21.335 13.589 6.268 1.00 52.35 O ATOM 395 CB LEU A 26 -21.579 14.933 3.809 1.00 34.03 C ATOM 396 CG LEU A 26 -21.824 15.737 2.532 1.00 44.11 C ATOM 397 CD1 LEU A 26 -20.664 15.563 1.562 1.00 13.12 C ATOM 398 CD2 LEU A 26 -23.133 15.319 1.880 1.00 32.31 C ATOM 0 H LEU A 26 -22.423 17.111 4.883 1.00 55.51 H new ATOM 0 HA LEU A 26 -23.508 14.399 4.593 1.00 22.22 H new ATOM 0 HB2 LEU A 26 -20.636 15.261 4.246 1.00 34.03 H new ATOM 0 HB3 LEU A 26 -21.456 13.885 3.537 1.00 34.03 H new ATOM 0 HG LEU A 26 -21.895 16.792 2.798 1.00 44.11 H new ATOM 0 HD11 LEU A 26 -20.855 16.142 0.659 1.00 13.12 H new ATOM 0 HD12 LEU A 26 -19.743 15.913 2.029 1.00 13.12 H new ATOM 0 HD13 LEU A 26 -20.562 14.509 1.303 1.00 13.12 H new ATOM 0 HD21 LEU A 26 -23.290 15.902 0.973 1.00 32.31 H new ATOM 0 HD22 LEU A 26 -23.092 14.259 1.628 1.00 32.31 H new ATOM 0 HD23 LEU A 26 -23.957 15.495 2.572 1.00 32.31 H new ATOM 410 N LYS A 27 -22.556 15.172 7.299 1.00 62.22 N ATOM 411 CA LYS A 27 -22.118 14.794 8.637 1.00 53.11 C ATOM 412 C LYS A 27 -22.316 13.300 8.874 1.00 52.35 C ATOM 413 O LYS A 27 -21.544 12.668 9.595 1.00 72.35 O ATOM 414 CB LYS A 27 -22.885 15.594 9.693 1.00 44.43 C ATOM 415 CG LYS A 27 -22.656 15.104 11.112 1.00 41.31 C ATOM 416 CD LYS A 27 -23.737 14.129 11.546 1.00 31.41 C ATOM 417 CE LYS A 27 -24.014 14.231 13.038 1.00 35.31 C ATOM 418 NZ LYS A 27 -24.829 15.432 13.369 1.00 14.14 N ATOM 0 H LYS A 27 -23.209 15.955 7.275 1.00 62.22 H new ATOM 0 HA LYS A 27 -21.055 15.019 8.720 1.00 53.11 H new ATOM 0 HB2 LYS A 27 -22.591 16.642 9.627 1.00 44.43 H new ATOM 0 HB3 LYS A 27 -23.951 15.547 9.469 1.00 44.43 H new ATOM 0 HG2 LYS A 27 -21.681 14.621 11.178 1.00 41.31 H new ATOM 0 HG3 LYS A 27 -22.637 15.955 11.793 1.00 41.31 H new ATOM 0 HD2 LYS A 27 -24.653 14.329 10.990 1.00 31.41 H new ATOM 0 HD3 LYS A 27 -23.431 13.112 11.300 1.00 31.41 H new ATOM 0 HE2 LYS A 27 -24.536 13.334 13.373 1.00 35.31 H new ATOM 0 HE3 LYS A 27 -23.070 14.272 13.581 1.00 35.31 H new ATOM 0 HZ1 LYS A 27 -24.665 15.701 14.360 1.00 14.14 H new ATOM 0 HZ2 LYS A 27 -24.556 16.219 12.747 1.00 14.14 H new ATOM 0 HZ3 LYS A 27 -25.837 15.216 13.231 1.00 14.14 H new ATOM 432 N SER A 28 -23.354 12.741 8.260 1.00 15.54 N ATOM 433 CA SER A 28 -23.656 11.322 8.406 1.00 44.22 C ATOM 434 C SER A 28 -23.308 10.559 7.130 1.00 4.53 C ATOM 435 O SER A 28 -23.052 9.356 7.164 1.00 55.23 O ATOM 436 CB SER A 28 -25.134 11.124 8.745 1.00 51.34 C ATOM 437 OG SER A 28 -25.365 9.838 9.293 1.00 60.25 O ATOM 0 H SER A 28 -24.000 13.250 7.656 1.00 15.54 H new ATOM 0 HA SER A 28 -23.049 10.929 9.222 1.00 44.22 H new ATOM 0 HB2 SER A 28 -25.453 11.887 9.455 1.00 51.34 H new ATOM 0 HB3 SER A 28 -25.737 11.253 7.846 1.00 51.34 H new ATOM 0 HG SER A 28 -26.317 9.738 9.502 1.00 60.25 H new ATOM 443 N GLY A 29 -23.299 11.270 6.007 1.00 54.55 N ATOM 444 CA GLY A 29 -22.982 10.646 4.736 1.00 32.42 C ATOM 445 C GLY A 29 -24.152 10.667 3.772 1.00 62.32 C ATOM 446 O GLY A 29 -24.465 9.655 3.144 1.00 11.43 O ATOM 0 H GLY A 29 -23.506 12.267 5.955 1.00 54.55 H new ATOM 0 HA2 GLY A 29 -22.134 11.160 4.284 1.00 32.42 H new ATOM 0 HA3 GLY A 29 -22.675 9.614 4.908 1.00 32.42 H new ATOM 450 N GLU A 30 -24.800 11.821 3.655 1.00 24.33 N ATOM 451 CA GLU A 30 -25.943 11.968 2.762 1.00 34.20 C ATOM 452 C GLU A 30 -25.556 11.633 1.324 1.00 32.11 C ATOM 453 O GLU A 30 -25.892 10.564 0.811 1.00 40.22 O ATOM 454 CB GLU A 30 -26.496 13.392 2.834 1.00 4.52 C ATOM 455 CG GLU A 30 -27.033 13.768 4.205 1.00 44.31 C ATOM 456 CD GLU A 30 -28.119 12.825 4.684 1.00 2.50 C ATOM 457 OE1 GLU A 30 -29.282 12.994 4.261 1.00 41.52 O ATOM 458 OE2 GLU A 30 -27.805 11.918 5.482 1.00 34.22 O ATOM 0 H GLU A 30 -24.553 12.668 4.167 1.00 24.33 H new ATOM 0 HA GLU A 30 -26.715 11.270 3.085 1.00 34.20 H new ATOM 0 HB2 GLU A 30 -25.709 14.093 2.557 1.00 4.52 H new ATOM 0 HB3 GLU A 30 -27.293 13.501 2.099 1.00 4.52 H new ATOM 0 HG2 GLU A 30 -26.214 13.769 4.924 1.00 44.31 H new ATOM 0 HG3 GLU A 30 -27.428 14.783 4.171 1.00 44.31 H new ATOM 465 N LYS A 31 -24.849 12.553 0.678 1.00 63.22 N ATOM 466 CA LYS A 31 -24.415 12.357 -0.700 1.00 41.23 C ATOM 467 C LYS A 31 -23.610 13.556 -1.193 1.00 15.41 C ATOM 468 O LYS A 31 -24.176 14.585 -1.562 1.00 45.53 O ATOM 469 CB LYS A 31 -25.625 12.133 -1.611 1.00 20.34 C ATOM 470 CG LYS A 31 -25.457 10.965 -2.567 1.00 74.05 C ATOM 471 CD LYS A 31 -26.800 10.392 -2.989 1.00 3.14 C ATOM 472 CE LYS A 31 -27.634 11.420 -3.738 1.00 0.51 C ATOM 473 NZ LYS A 31 -28.704 10.779 -4.553 1.00 2.44 N ATOM 0 H LYS A 31 -24.564 13.443 1.087 1.00 63.22 H new ATOM 0 HA LYS A 31 -23.776 11.475 -0.731 1.00 41.23 H new ATOM 0 HB2 LYS A 31 -26.507 11.963 -0.994 1.00 20.34 H new ATOM 0 HB3 LYS A 31 -25.809 13.040 -2.187 1.00 20.34 H new ATOM 0 HG2 LYS A 31 -24.907 11.292 -3.449 1.00 74.05 H new ATOM 0 HG3 LYS A 31 -24.862 10.186 -2.090 1.00 74.05 H new ATOM 0 HD2 LYS A 31 -26.642 9.519 -3.622 1.00 3.14 H new ATOM 0 HD3 LYS A 31 -27.345 10.052 -2.108 1.00 3.14 H new ATOM 0 HE2 LYS A 31 -28.085 12.111 -3.025 1.00 0.51 H new ATOM 0 HE3 LYS A 31 -26.987 12.009 -4.387 1.00 0.51 H new ATOM 0 HZ1 LYS A 31 -29.250 11.513 -5.048 1.00 2.44 H new ATOM 0 HZ2 LYS A 31 -28.273 10.139 -5.250 1.00 2.44 H new ATOM 0 HZ3 LYS A 31 -29.337 10.237 -3.931 1.00 2.44 H new ATOM 487 N PHE A 32 -22.289 13.415 -1.197 1.00 15.31 N ATOM 488 CA PHE A 32 -21.408 14.486 -1.645 1.00 3.52 C ATOM 489 C PHE A 32 -21.837 15.009 -3.014 1.00 22.23 C ATOM 490 O PHE A 32 -21.873 16.216 -3.246 1.00 62.25 O ATOM 491 CB PHE A 32 -19.961 13.993 -1.707 1.00 2.22 C ATOM 492 CG PHE A 32 -18.979 15.061 -2.093 1.00 43.43 C ATOM 493 CD1 PHE A 32 -18.821 15.428 -3.419 1.00 45.34 C ATOM 494 CD2 PHE A 32 -18.214 15.699 -1.130 1.00 13.22 C ATOM 495 CE1 PHE A 32 -17.916 16.411 -3.779 1.00 32.22 C ATOM 496 CE2 PHE A 32 -17.309 16.683 -1.482 1.00 61.02 C ATOM 497 CZ PHE A 32 -17.161 17.040 -2.808 1.00 70.25 C ATOM 0 H PHE A 32 -21.805 12.569 -0.895 1.00 15.31 H new ATOM 0 HA PHE A 32 -21.477 15.302 -0.926 1.00 3.52 H new ATOM 0 HB2 PHE A 32 -19.682 13.589 -0.734 1.00 2.22 H new ATOM 0 HB3 PHE A 32 -19.895 13.174 -2.423 1.00 2.22 H new ATOM 0 HD1 PHE A 32 -19.411 14.941 -4.181 1.00 45.34 H new ATOM 0 HD2 PHE A 32 -18.326 15.424 -0.092 1.00 13.22 H new ATOM 0 HE1 PHE A 32 -17.800 16.686 -4.817 1.00 32.22 H new ATOM 0 HE2 PHE A 32 -16.719 17.172 -0.721 1.00 61.02 H new ATOM 0 HZ PHE A 32 -16.456 17.810 -3.085 1.00 70.25 H new ATOM 507 N GLY A 33 -22.163 14.088 -3.916 1.00 25.42 N ATOM 508 CA GLY A 33 -22.584 14.473 -5.250 1.00 61.03 C ATOM 509 C GLY A 33 -23.818 15.354 -5.235 1.00 43.23 C ATOM 510 O GLY A 33 -23.987 16.213 -6.101 1.00 73.02 O ATOM 0 H GLY A 33 -22.143 13.082 -3.746 1.00 25.42 H new ATOM 0 HA2 GLY A 33 -21.770 15.001 -5.747 1.00 61.03 H new ATOM 0 HA3 GLY A 33 -22.788 13.577 -5.837 1.00 61.03 H new ATOM 514 N LYS A 34 -24.684 15.140 -4.251 1.00 14.30 N ATOM 515 CA LYS A 34 -25.909 15.921 -4.127 1.00 10.20 C ATOM 516 C LYS A 34 -25.595 17.396 -3.896 1.00 22.41 C ATOM 517 O LYS A 34 -26.430 18.265 -4.143 1.00 14.21 O ATOM 518 CB LYS A 34 -26.765 15.385 -2.976 1.00 53.42 C ATOM 519 CG LYS A 34 -28.101 16.095 -2.830 1.00 23.41 C ATOM 520 CD LYS A 34 -29.082 15.271 -2.014 1.00 1.12 C ATOM 521 CE LYS A 34 -30.163 16.145 -1.396 1.00 11.31 C ATOM 522 NZ LYS A 34 -31.284 16.396 -2.344 1.00 22.04 N ATOM 0 H LYS A 34 -24.560 14.432 -3.527 1.00 14.30 H new ATOM 0 HA LYS A 34 -26.465 15.828 -5.060 1.00 10.20 H new ATOM 0 HB2 LYS A 34 -26.943 14.321 -3.132 1.00 53.42 H new ATOM 0 HB3 LYS A 34 -26.208 15.482 -2.044 1.00 53.42 H new ATOM 0 HG2 LYS A 34 -27.950 17.062 -2.351 1.00 23.41 H new ATOM 0 HG3 LYS A 34 -28.521 16.290 -3.817 1.00 23.41 H new ATOM 0 HD2 LYS A 34 -29.543 14.516 -2.651 1.00 1.12 H new ATOM 0 HD3 LYS A 34 -28.547 14.740 -1.226 1.00 1.12 H new ATOM 0 HE2 LYS A 34 -30.549 15.664 -0.497 1.00 11.31 H new ATOM 0 HE3 LYS A 34 -29.729 17.096 -1.088 1.00 11.31 H new ATOM 0 HZ1 LYS A 34 -31.999 16.995 -1.885 1.00 22.04 H new ATOM 0 HZ2 LYS A 34 -30.921 16.878 -3.191 1.00 22.04 H new ATOM 0 HZ3 LYS A 34 -31.716 15.491 -2.619 1.00 22.04 H new ATOM 536 N LEU A 35 -24.385 17.669 -3.422 1.00 44.42 N ATOM 537 CA LEU A 35 -23.958 19.040 -3.159 1.00 42.21 C ATOM 538 C LEU A 35 -23.042 19.547 -4.267 1.00 63.44 C ATOM 539 O LEU A 35 -22.979 20.747 -4.534 1.00 62.03 O ATOM 540 CB LEU A 35 -23.241 19.122 -1.810 1.00 43.25 C ATOM 541 CG LEU A 35 -23.790 18.224 -0.702 1.00 52.12 C ATOM 542 CD1 LEU A 35 -23.015 18.434 0.589 1.00 63.42 C ATOM 543 CD2 LEU A 35 -25.273 18.491 -0.485 1.00 5.51 C ATOM 0 H LEU A 35 -23.682 16.960 -3.212 1.00 44.42 H new ATOM 0 HA LEU A 35 -24.846 19.672 -3.130 1.00 42.21 H new ATOM 0 HB2 LEU A 35 -22.191 18.874 -1.964 1.00 43.25 H new ATOM 0 HB3 LEU A 35 -23.277 20.155 -1.464 1.00 43.25 H new ATOM 0 HG LEU A 35 -23.669 17.185 -1.009 1.00 52.12 H new ATOM 0 HD11 LEU A 35 -23.420 17.786 1.366 1.00 63.42 H new ATOM 0 HD12 LEU A 35 -21.965 18.192 0.426 1.00 63.42 H new ATOM 0 HD13 LEU A 35 -23.104 19.475 0.901 1.00 63.42 H new ATOM 0 HD21 LEU A 35 -25.647 17.843 0.307 1.00 5.51 H new ATOM 0 HD22 LEU A 35 -25.417 19.533 -0.200 1.00 5.51 H new ATOM 0 HD23 LEU A 35 -25.818 18.288 -1.407 1.00 5.51 H new ATOM 555 N ALA A 36 -22.333 18.625 -4.911 1.00 32.01 N ATOM 556 CA ALA A 36 -21.423 18.977 -5.993 1.00 3.53 C ATOM 557 C ALA A 36 -22.184 19.226 -7.290 1.00 64.05 C ATOM 558 O ALA A 36 -21.680 19.884 -8.202 1.00 2.11 O ATOM 559 CB ALA A 36 -20.385 17.882 -6.189 1.00 24.03 C ATOM 0 H ALA A 36 -22.372 17.628 -4.701 1.00 32.01 H new ATOM 0 HA ALA A 36 -20.912 19.900 -5.719 1.00 3.53 H new ATOM 0 HB1 ALA A 36 -19.712 18.159 -7.001 1.00 24.03 H new ATOM 0 HB2 ALA A 36 -19.812 17.755 -5.270 1.00 24.03 H new ATOM 0 HB3 ALA A 36 -20.886 16.946 -6.437 1.00 24.03 H new ATOM 565 N LYS A 37 -23.399 18.695 -7.370 1.00 3.41 N ATOM 566 CA LYS A 37 -24.230 18.860 -8.556 1.00 54.21 C ATOM 567 C LYS A 37 -24.990 20.182 -8.509 1.00 41.32 C ATOM 568 O LYS A 37 -25.786 20.482 -9.399 1.00 22.14 O ATOM 569 CB LYS A 37 -25.218 17.697 -8.676 1.00 31.30 C ATOM 570 CG LYS A 37 -25.496 17.280 -10.110 1.00 41.54 C ATOM 571 CD LYS A 37 -26.597 16.236 -10.185 1.00 54.32 C ATOM 572 CE LYS A 37 -27.961 16.844 -9.895 1.00 44.21 C ATOM 573 NZ LYS A 37 -29.056 16.103 -10.582 1.00 5.53 N ATOM 0 H LYS A 37 -23.830 18.146 -6.626 1.00 3.41 H new ATOM 0 HA LYS A 37 -23.577 18.867 -9.429 1.00 54.21 H new ATOM 0 HB2 LYS A 37 -24.826 16.841 -8.127 1.00 31.30 H new ATOM 0 HB3 LYS A 37 -26.157 17.979 -8.200 1.00 31.30 H new ATOM 0 HG2 LYS A 37 -25.782 18.154 -10.695 1.00 41.54 H new ATOM 0 HG3 LYS A 37 -24.585 16.882 -10.557 1.00 41.54 H new ATOM 0 HD2 LYS A 37 -26.603 15.782 -11.176 1.00 54.32 H new ATOM 0 HD3 LYS A 37 -26.393 15.439 -9.470 1.00 54.32 H new ATOM 0 HE2 LYS A 37 -28.139 16.840 -8.820 1.00 44.21 H new ATOM 0 HE3 LYS A 37 -27.970 17.886 -10.216 1.00 44.21 H new ATOM 0 HZ1 LYS A 37 -29.969 16.548 -10.359 1.00 5.53 H new ATOM 0 HZ2 LYS A 37 -28.900 16.128 -11.610 1.00 5.53 H new ATOM 0 HZ3 LYS A 37 -29.064 15.115 -10.257 1.00 5.53 H new ATOM 587 N GLU A 38 -24.736 20.969 -7.468 1.00 30.03 N ATOM 588 CA GLU A 38 -25.396 22.259 -7.308 1.00 31.01 C ATOM 589 C GLU A 38 -24.407 23.321 -6.838 1.00 24.14 C ATOM 590 O GLU A 38 -24.187 24.326 -7.516 1.00 61.33 O ATOM 591 CB GLU A 38 -26.552 22.146 -6.311 1.00 41.25 C ATOM 592 CG GLU A 38 -27.431 20.928 -6.535 1.00 70.42 C ATOM 593 CD GLU A 38 -28.880 21.176 -6.162 1.00 32.04 C ATOM 594 OE1 GLU A 38 -29.122 21.951 -5.213 1.00 24.04 O ATOM 595 OE2 GLU A 38 -29.771 20.597 -6.817 1.00 24.03 O ATOM 0 H GLU A 38 -24.079 20.736 -6.724 1.00 30.03 H new ATOM 0 HA GLU A 38 -25.791 22.559 -8.279 1.00 31.01 H new ATOM 0 HB2 GLU A 38 -26.147 22.110 -5.300 1.00 41.25 H new ATOM 0 HB3 GLU A 38 -27.166 23.044 -6.376 1.00 41.25 H new ATOM 0 HG2 GLU A 38 -27.375 20.632 -7.583 1.00 70.42 H new ATOM 0 HG3 GLU A 38 -27.046 20.094 -5.948 1.00 70.42 H new ATOM 602 N LEU A 39 -23.814 23.093 -5.671 1.00 42.41 N ATOM 603 CA LEU A 39 -22.847 24.030 -5.107 1.00 71.33 C ATOM 604 C LEU A 39 -21.705 24.287 -6.085 1.00 71.05 C ATOM 605 O LEU A 39 -21.360 25.435 -6.364 1.00 52.13 O ATOM 606 CB LEU A 39 -22.293 23.490 -3.788 1.00 73.44 C ATOM 607 CG LEU A 39 -23.329 23.127 -2.724 1.00 10.32 C ATOM 608 CD1 LEU A 39 -22.644 22.678 -1.443 1.00 1.53 C ATOM 609 CD2 LEU A 39 -24.251 24.306 -2.453 1.00 10.52 C ATOM 0 H LEU A 39 -23.985 22.268 -5.097 1.00 42.41 H new ATOM 0 HA LEU A 39 -23.359 24.974 -4.919 1.00 71.33 H new ATOM 0 HB2 LEU A 39 -21.697 22.603 -4.003 1.00 73.44 H new ATOM 0 HB3 LEU A 39 -21.617 24.235 -3.369 1.00 73.44 H new ATOM 0 HG LEU A 39 -23.931 22.299 -3.099 1.00 10.32 H new ATOM 0 HD11 LEU A 39 -23.397 22.424 -0.697 1.00 1.53 H new ATOM 0 HD12 LEU A 39 -22.027 21.803 -1.648 1.00 1.53 H new ATOM 0 HD13 LEU A 39 -22.016 23.485 -1.064 1.00 1.53 H new ATOM 0 HD21 LEU A 39 -24.982 24.029 -1.693 1.00 10.52 H new ATOM 0 HD22 LEU A 39 -23.664 25.154 -2.100 1.00 10.52 H new ATOM 0 HD23 LEU A 39 -24.769 24.581 -3.372 1.00 10.52 H new ATOM 621 N SER A 40 -21.122 23.211 -6.603 1.00 31.41 N ATOM 622 CA SER A 40 -20.018 23.319 -7.548 1.00 5.23 C ATOM 623 C SER A 40 -20.373 24.262 -8.694 1.00 1.11 C ATOM 624 O SER A 40 -21.140 23.906 -9.589 1.00 12.11 O ATOM 625 CB SER A 40 -19.654 21.940 -8.101 1.00 44.31 C ATOM 626 OG SER A 40 -18.290 21.886 -8.483 1.00 14.42 O ATOM 0 H SER A 40 -21.397 22.253 -6.384 1.00 31.41 H new ATOM 0 HA SER A 40 -19.158 23.728 -7.018 1.00 5.23 H new ATOM 0 HB2 SER A 40 -19.854 21.178 -7.347 1.00 44.31 H new ATOM 0 HB3 SER A 40 -20.285 21.711 -8.960 1.00 44.31 H new ATOM 0 HG SER A 40 -18.122 21.058 -8.980 1.00 14.42 H new ATOM 632 N ILE A 41 -19.811 25.465 -8.658 1.00 62.33 N ATOM 633 CA ILE A 41 -20.067 26.459 -9.693 1.00 2.21 C ATOM 634 C ILE A 41 -19.285 26.144 -10.963 1.00 64.15 C ATOM 635 O ILE A 41 -19.644 26.592 -12.053 1.00 72.42 O ATOM 636 CB ILE A 41 -19.701 27.877 -9.216 1.00 25.21 C ATOM 637 CG1 ILE A 41 -18.253 27.913 -8.718 1.00 32.20 C ATOM 638 CG2 ILE A 41 -20.654 28.330 -8.121 1.00 24.14 C ATOM 639 CD1 ILE A 41 -17.502 29.157 -9.135 1.00 1.41 C ATOM 0 H ILE A 41 -19.175 25.775 -7.923 1.00 62.33 H new ATOM 0 HA ILE A 41 -21.135 26.422 -9.908 1.00 2.21 H new ATOM 0 HB ILE A 41 -19.794 28.563 -10.058 1.00 25.21 H new ATOM 0 HG12 ILE A 41 -18.250 27.844 -7.630 1.00 32.20 H new ATOM 0 HG13 ILE A 41 -17.726 27.037 -9.095 1.00 32.20 H new ATOM 0 HG21 ILE A 41 -20.382 29.334 -7.794 1.00 24.14 H new ATOM 0 HG22 ILE A 41 -21.674 28.337 -8.506 1.00 24.14 H new ATOM 0 HG23 ILE A 41 -20.590 27.644 -7.276 1.00 24.14 H new ATOM 0 HD11 ILE A 41 -16.484 29.115 -8.748 1.00 1.41 H new ATOM 0 HD12 ILE A 41 -17.474 29.218 -10.223 1.00 1.41 H new ATOM 0 HD13 ILE A 41 -18.006 30.037 -8.736 1.00 1.41 H new ATOM 651 N ASP A 42 -18.215 25.371 -10.816 1.00 65.01 N ATOM 652 CA ASP A 42 -17.382 24.993 -11.953 1.00 3.43 C ATOM 653 C ASP A 42 -18.181 24.178 -12.964 1.00 53.13 C ATOM 654 O ASP A 42 -18.594 23.053 -12.682 1.00 54.13 O ATOM 655 CB ASP A 42 -16.168 24.193 -11.479 1.00 22.52 C ATOM 656 CG ASP A 42 -15.363 23.626 -12.630 1.00 62.44 C ATOM 657 OD1 ASP A 42 -15.497 24.142 -13.760 1.00 14.03 O ATOM 658 OD2 ASP A 42 -14.597 22.665 -12.403 1.00 51.33 O ATOM 0 H ASP A 42 -17.903 24.994 -9.921 1.00 65.01 H new ATOM 0 HA ASP A 42 -17.038 25.906 -12.440 1.00 3.43 H new ATOM 0 HB2 ASP A 42 -15.528 24.834 -10.873 1.00 22.52 H new ATOM 0 HB3 ASP A 42 -16.502 23.378 -10.837 1.00 22.52 H new ATOM 663 N SER A 43 -18.396 24.753 -14.143 1.00 4.34 N ATOM 664 CA SER A 43 -19.150 24.082 -15.196 1.00 1.34 C ATOM 665 C SER A 43 -18.603 22.681 -15.445 1.00 74.44 C ATOM 666 O SER A 43 -19.361 21.738 -15.675 1.00 62.14 O ATOM 667 CB SER A 43 -19.100 24.900 -16.488 1.00 21.14 C ATOM 668 OG SER A 43 -17.841 24.766 -17.127 1.00 13.41 O ATOM 0 H SER A 43 -18.059 25.682 -14.393 1.00 4.34 H new ATOM 0 HA SER A 43 -20.186 23.996 -14.870 1.00 1.34 H new ATOM 0 HB2 SER A 43 -19.891 24.570 -17.162 1.00 21.14 H new ATOM 0 HB3 SER A 43 -19.289 25.950 -16.265 1.00 21.14 H new ATOM 0 HG SER A 43 -17.834 25.296 -17.951 1.00 13.41 H new ATOM 674 N GLY A 44 -17.281 22.550 -15.399 1.00 42.22 N ATOM 675 CA GLY A 44 -16.654 21.260 -15.622 1.00 70.41 C ATOM 676 C GLY A 44 -16.469 20.476 -14.339 1.00 4.11 C ATOM 677 O GLY A 44 -15.398 19.920 -14.093 1.00 70.53 O ATOM 0 H GLY A 44 -16.632 23.315 -15.211 1.00 42.22 H new ATOM 0 HA2 GLY A 44 -17.262 20.679 -16.315 1.00 70.41 H new ATOM 0 HA3 GLY A 44 -15.684 21.408 -16.097 1.00 70.41 H new ATOM 681 N SER A 45 -17.512 20.432 -13.517 1.00 2.41 N ATOM 682 CA SER A 45 -17.457 19.715 -12.248 1.00 45.05 C ATOM 683 C SER A 45 -18.860 19.374 -11.756 1.00 61.14 C ATOM 684 O SER A 45 -19.105 18.275 -11.261 1.00 73.14 O ATOM 685 CB SER A 45 -16.725 20.551 -11.196 1.00 64.14 C ATOM 686 OG SER A 45 -16.717 19.897 -9.940 1.00 54.41 O ATOM 0 H SER A 45 -18.406 20.885 -13.707 1.00 2.41 H new ATOM 0 HA SER A 45 -16.910 18.786 -12.408 1.00 45.05 H new ATOM 0 HB2 SER A 45 -15.701 20.734 -11.521 1.00 64.14 H new ATOM 0 HB3 SER A 45 -17.207 21.524 -11.100 1.00 64.14 H new ATOM 0 HG SER A 45 -16.284 20.472 -9.275 1.00 54.41 H new ATOM 692 N ALA A 46 -19.777 20.325 -11.895 1.00 53.44 N ATOM 693 CA ALA A 46 -21.156 20.127 -11.468 1.00 22.30 C ATOM 694 C ALA A 46 -21.842 19.053 -12.306 1.00 43.32 C ATOM 695 O ALA A 46 -22.915 18.565 -11.951 1.00 70.13 O ATOM 696 CB ALA A 46 -21.929 21.435 -11.549 1.00 5.51 C ATOM 0 H ALA A 46 -19.589 21.242 -12.301 1.00 53.44 H new ATOM 0 HA ALA A 46 -21.143 19.790 -10.432 1.00 22.30 H new ATOM 0 HB1 ALA A 46 -22.957 21.271 -11.227 1.00 5.51 H new ATOM 0 HB2 ALA A 46 -21.460 22.176 -10.901 1.00 5.51 H new ATOM 0 HB3 ALA A 46 -21.924 21.797 -12.577 1.00 5.51 H new ATOM 702 N LYS A 47 -21.216 18.691 -13.421 1.00 31.40 N ATOM 703 CA LYS A 47 -21.765 17.675 -14.311 1.00 25.44 C ATOM 704 C LYS A 47 -21.312 16.280 -13.889 1.00 71.21 C ATOM 705 O LYS A 47 -21.938 15.279 -14.240 1.00 14.44 O ATOM 706 CB LYS A 47 -21.337 17.946 -15.755 1.00 42.31 C ATOM 707 CG LYS A 47 -22.160 19.024 -16.440 1.00 2.33 C ATOM 708 CD LYS A 47 -23.336 18.430 -17.197 1.00 72.35 C ATOM 709 CE LYS A 47 -23.718 19.288 -18.394 1.00 70.55 C ATOM 710 NZ LYS A 47 -24.794 18.656 -19.208 1.00 65.52 N ATOM 0 H LYS A 47 -20.328 19.086 -13.730 1.00 31.40 H new ATOM 0 HA LYS A 47 -22.852 17.721 -14.246 1.00 25.44 H new ATOM 0 HB2 LYS A 47 -20.287 18.240 -15.765 1.00 42.31 H new ATOM 0 HB3 LYS A 47 -21.415 17.022 -16.328 1.00 42.31 H new ATOM 0 HG2 LYS A 47 -22.525 19.732 -15.696 1.00 2.33 H new ATOM 0 HG3 LYS A 47 -21.527 19.583 -17.129 1.00 2.33 H new ATOM 0 HD2 LYS A 47 -23.083 17.425 -17.534 1.00 72.35 H new ATOM 0 HD3 LYS A 47 -24.191 18.336 -16.528 1.00 72.35 H new ATOM 0 HE2 LYS A 47 -24.051 20.266 -18.048 1.00 70.55 H new ATOM 0 HE3 LYS A 47 -22.840 19.453 -19.018 1.00 70.55 H new ATOM 0 HZ1 LYS A 47 -25.026 19.271 -20.014 1.00 65.52 H new ATOM 0 HZ2 LYS A 47 -24.467 17.733 -19.559 1.00 65.52 H new ATOM 0 HZ3 LYS A 47 -25.641 18.522 -18.620 1.00 65.52 H new ATOM 724 N LYS A 48 -20.220 16.221 -13.135 1.00 22.01 N ATOM 725 CA LYS A 48 -19.684 14.950 -12.663 1.00 31.32 C ATOM 726 C LYS A 48 -19.742 14.866 -11.141 1.00 62.42 C ATOM 727 O LYS A 48 -18.938 14.175 -10.517 1.00 14.33 O ATOM 728 CB LYS A 48 -18.240 14.773 -13.139 1.00 1.11 C ATOM 729 CG LYS A 48 -17.409 16.041 -13.040 1.00 65.34 C ATOM 730 CD LYS A 48 -17.409 16.811 -14.350 1.00 53.25 C ATOM 731 CE LYS A 48 -16.282 16.357 -15.265 1.00 22.52 C ATOM 732 NZ LYS A 48 -14.965 16.905 -14.836 1.00 31.22 N ATOM 0 H LYS A 48 -19.688 17.039 -12.837 1.00 22.01 H new ATOM 0 HA LYS A 48 -20.298 14.150 -13.077 1.00 31.32 H new ATOM 0 HB2 LYS A 48 -17.765 13.990 -12.549 1.00 1.11 H new ATOM 0 HB3 LYS A 48 -18.246 14.432 -14.174 1.00 1.11 H new ATOM 0 HG2 LYS A 48 -17.803 16.674 -12.245 1.00 65.34 H new ATOM 0 HG3 LYS A 48 -16.385 15.786 -12.767 1.00 65.34 H new ATOM 0 HD2 LYS A 48 -18.366 16.673 -14.854 1.00 53.25 H new ATOM 0 HD3 LYS A 48 -17.306 17.877 -14.146 1.00 53.25 H new ATOM 0 HE2 LYS A 48 -16.237 15.268 -15.273 1.00 22.52 H new ATOM 0 HE3 LYS A 48 -16.493 16.675 -16.286 1.00 22.52 H new ATOM 0 HZ1 LYS A 48 -14.284 16.823 -15.618 1.00 31.22 H new ATOM 0 HZ2 LYS A 48 -15.074 17.906 -14.575 1.00 31.22 H new ATOM 0 HZ3 LYS A 48 -14.617 16.369 -14.016 1.00 31.22 H new ATOM 746 N ASN A 49 -20.700 15.574 -10.550 1.00 32.24 N ATOM 747 CA ASN A 49 -20.863 15.577 -9.101 1.00 52.52 C ATOM 748 C ASN A 49 -19.546 15.909 -8.405 1.00 53.35 C ATOM 749 O ASN A 49 -19.283 15.444 -7.297 1.00 65.24 O ATOM 750 CB ASN A 49 -21.379 14.220 -8.620 1.00 41.25 C ATOM 751 CG ASN A 49 -22.789 13.934 -9.102 1.00 31.31 C ATOM 752 OD1 ASN A 49 -23.002 13.078 -9.960 1.00 43.21 O ATOM 753 ND2 ASN A 49 -23.759 14.652 -8.549 1.00 34.13 N ATOM 0 H ASN A 49 -21.374 16.152 -11.052 1.00 32.24 H new ATOM 0 HA ASN A 49 -21.592 16.346 -8.846 1.00 52.52 H new ATOM 0 HB2 ASN A 49 -20.711 13.434 -8.973 1.00 41.25 H new ATOM 0 HB3 ASN A 49 -21.357 14.191 -7.531 1.00 41.25 H new ATOM 0 HD21 ASN A 49 -24.728 14.504 -8.832 1.00 34.13 H new ATOM 0 HD22 ASN A 49 -23.536 15.351 -7.841 1.00 34.13 H new ATOM 760 N GLY A 50 -18.721 16.717 -9.066 1.00 32.32 N ATOM 761 CA GLY A 50 -17.442 17.097 -8.496 1.00 41.14 C ATOM 762 C GLY A 50 -16.569 15.899 -8.180 1.00 72.15 C ATOM 763 O GLY A 50 -15.633 15.996 -7.389 1.00 23.34 O ATOM 0 H GLY A 50 -18.916 17.114 -9.985 1.00 32.32 H new ATOM 0 HA2 GLY A 50 -16.917 17.751 -9.192 1.00 41.14 H new ATOM 0 HA3 GLY A 50 -17.610 17.671 -7.585 1.00 41.14 H new ATOM 767 N ASN A 51 -16.877 14.765 -8.801 1.00 64.25 N ATOM 768 CA ASN A 51 -16.114 13.542 -8.582 1.00 24.44 C ATOM 769 C ASN A 51 -15.057 13.356 -9.667 1.00 14.04 C ATOM 770 O ASN A 51 -15.271 12.629 -10.638 1.00 61.15 O ATOM 771 CB ASN A 51 -17.049 12.331 -8.552 1.00 70.15 C ATOM 772 CG ASN A 51 -16.295 11.019 -8.455 1.00 63.12 C ATOM 773 OD1 ASN A 51 -15.570 10.776 -7.490 1.00 43.31 O ATOM 774 ND2 ASN A 51 -16.461 10.165 -9.458 1.00 61.14 N ATOM 0 H ASN A 51 -17.650 14.668 -9.460 1.00 64.25 H new ATOM 0 HA ASN A 51 -15.609 13.627 -7.620 1.00 24.44 H new ATOM 0 HB2 ASN A 51 -17.727 12.420 -7.703 1.00 70.15 H new ATOM 0 HB3 ASN A 51 -17.663 12.328 -9.452 1.00 70.15 H new ATOM 0 HD21 ASN A 51 -15.978 9.267 -9.448 1.00 61.14 H new ATOM 0 HD22 ASN A 51 -17.072 10.407 -10.238 1.00 61.14 H new ATOM 781 N LEU A 52 -13.918 14.017 -9.493 1.00 74.35 N ATOM 782 CA LEU A 52 -12.827 13.924 -10.458 1.00 34.11 C ATOM 783 C LEU A 52 -12.229 12.521 -10.471 1.00 13.12 C ATOM 784 O LEU A 52 -11.481 12.163 -11.380 1.00 31.34 O ATOM 785 CB LEU A 52 -11.742 14.951 -10.128 1.00 43.05 C ATOM 786 CG LEU A 52 -11.196 14.917 -8.700 1.00 34.30 C ATOM 787 CD1 LEU A 52 -10.067 13.905 -8.584 1.00 12.44 C ATOM 788 CD2 LEU A 52 -10.723 16.299 -8.277 1.00 24.24 C ATOM 0 H LEU A 52 -13.726 14.622 -8.695 1.00 74.35 H new ATOM 0 HA LEU A 52 -13.230 14.135 -11.448 1.00 34.11 H new ATOM 0 HB2 LEU A 52 -10.910 14.805 -10.817 1.00 43.05 H new ATOM 0 HB3 LEU A 52 -12.143 15.947 -10.319 1.00 43.05 H new ATOM 0 HG LEU A 52 -12.000 14.610 -8.031 1.00 34.30 H new ATOM 0 HD11 LEU A 52 -9.691 13.895 -7.561 1.00 12.44 H new ATOM 0 HD12 LEU A 52 -10.439 12.914 -8.844 1.00 12.44 H new ATOM 0 HD13 LEU A 52 -9.261 14.180 -9.264 1.00 12.44 H new ATOM 0 HD21 LEU A 52 -10.338 16.256 -7.258 1.00 24.24 H new ATOM 0 HD22 LEU A 52 -9.934 16.635 -8.949 1.00 24.24 H new ATOM 0 HD23 LEU A 52 -11.558 16.998 -8.320 1.00 24.24 H new ATOM 800 N GLY A 53 -12.565 11.730 -9.457 1.00 54.33 N ATOM 801 CA GLY A 53 -12.055 10.374 -9.373 1.00 11.02 C ATOM 802 C GLY A 53 -10.615 10.325 -8.901 1.00 13.42 C ATOM 803 O GLY A 53 -10.272 10.908 -7.872 1.00 61.22 O ATOM 0 H GLY A 53 -13.181 12.004 -8.692 1.00 54.33 H new ATOM 0 HA2 GLY A 53 -12.678 9.796 -8.690 1.00 11.02 H new ATOM 0 HA3 GLY A 53 -12.130 9.900 -10.351 1.00 11.02 H new ATOM 807 N TYR A 54 -9.772 9.628 -9.654 1.00 41.22 N ATOM 808 CA TYR A 54 -8.362 9.503 -9.306 1.00 23.24 C ATOM 809 C TYR A 54 -7.545 10.636 -9.920 1.00 62.50 C ATOM 810 O TYR A 54 -7.704 10.964 -11.095 1.00 42.14 O ATOM 811 CB TYR A 54 -7.817 8.153 -9.776 1.00 21.41 C ATOM 812 CG TYR A 54 -7.784 7.102 -8.690 1.00 24.51 C ATOM 813 CD1 TYR A 54 -8.854 6.939 -7.819 1.00 41.43 C ATOM 814 CD2 TYR A 54 -6.681 6.270 -8.534 1.00 2.03 C ATOM 815 CE1 TYR A 54 -8.827 5.981 -6.825 1.00 15.44 C ATOM 816 CE2 TYR A 54 -6.646 5.307 -7.544 1.00 13.25 C ATOM 817 CZ TYR A 54 -7.722 5.167 -6.692 1.00 3.44 C ATOM 818 OH TYR A 54 -7.690 4.210 -5.703 1.00 54.43 O ATOM 0 H TYR A 54 -10.040 9.141 -10.509 1.00 41.22 H new ATOM 0 HA TYR A 54 -8.276 9.565 -8.221 1.00 23.24 H new ATOM 0 HB2 TYR A 54 -8.430 7.791 -10.602 1.00 21.41 H new ATOM 0 HB3 TYR A 54 -6.808 8.293 -10.165 1.00 21.41 H new ATOM 0 HD1 TYR A 54 -9.722 7.573 -7.921 1.00 41.43 H new ATOM 0 HD2 TYR A 54 -5.837 6.378 -9.199 1.00 2.03 H new ATOM 0 HE1 TYR A 54 -9.667 5.870 -6.155 1.00 15.44 H new ATOM 0 HE2 TYR A 54 -5.782 4.668 -7.438 1.00 13.25 H new ATOM 0 HH TYR A 54 -6.841 3.722 -5.747 1.00 54.43 H new ATOM 828 N PHE A 55 -6.669 11.228 -9.115 1.00 45.32 N ATOM 829 CA PHE A 55 -5.826 12.324 -9.578 1.00 14.31 C ATOM 830 C PHE A 55 -4.394 12.159 -9.077 1.00 53.02 C ATOM 831 O PHE A 55 -4.090 11.232 -8.325 1.00 64.21 O ATOM 832 CB PHE A 55 -6.391 13.665 -9.106 1.00 34.34 C ATOM 833 CG PHE A 55 -5.874 14.094 -7.763 1.00 4.32 C ATOM 834 CD1 PHE A 55 -5.958 13.247 -6.669 1.00 4.32 C ATOM 835 CD2 PHE A 55 -5.300 15.345 -7.594 1.00 13.04 C ATOM 836 CE1 PHE A 55 -5.483 13.640 -5.433 1.00 23.12 C ATOM 837 CE2 PHE A 55 -4.822 15.743 -6.359 1.00 71.11 C ATOM 838 CZ PHE A 55 -4.913 14.889 -5.278 1.00 32.35 C ATOM 0 H PHE A 55 -6.524 10.967 -8.140 1.00 45.32 H new ATOM 0 HA PHE A 55 -5.816 12.305 -10.668 1.00 14.31 H new ATOM 0 HB2 PHE A 55 -6.148 14.432 -9.842 1.00 34.34 H new ATOM 0 HB3 PHE A 55 -7.478 13.597 -9.063 1.00 34.34 H new ATOM 0 HD1 PHE A 55 -6.400 12.268 -6.784 1.00 4.32 H new ATOM 0 HD2 PHE A 55 -5.225 16.016 -8.437 1.00 13.04 H new ATOM 0 HE1 PHE A 55 -5.557 12.971 -4.588 1.00 23.12 H new ATOM 0 HE2 PHE A 55 -4.378 16.720 -6.240 1.00 71.11 H new ATOM 0 HZ PHE A 55 -4.539 15.197 -4.313 1.00 32.35 H new ATOM 848 N THR A 56 -3.517 13.064 -9.500 1.00 70.34 N ATOM 849 CA THR A 56 -2.117 13.018 -9.098 1.00 72.10 C ATOM 850 C THR A 56 -1.584 14.416 -8.802 1.00 73.54 C ATOM 851 O THR A 56 -2.318 15.401 -8.883 1.00 11.15 O ATOM 852 CB THR A 56 -1.241 12.365 -10.184 1.00 11.41 C ATOM 853 OG1 THR A 56 -1.034 13.283 -11.263 1.00 42.00 O ATOM 854 CG2 THR A 56 -1.889 11.093 -10.711 1.00 12.34 C ATOM 0 H THR A 56 -3.752 13.838 -10.121 1.00 70.34 H new ATOM 0 HA THR A 56 -2.068 12.414 -8.192 1.00 72.10 H new ATOM 0 HB THR A 56 -0.281 12.106 -9.738 1.00 11.41 H new ATOM 0 HG1 THR A 56 -0.475 12.861 -11.949 1.00 42.00 H new ATOM 0 HG21 THR A 56 -1.252 10.650 -11.477 1.00 12.34 H new ATOM 0 HG22 THR A 56 -2.019 10.385 -9.893 1.00 12.34 H new ATOM 0 HG23 THR A 56 -2.861 11.332 -11.142 1.00 12.34 H new ATOM 862 N LYS A 57 -0.302 14.495 -8.463 1.00 24.12 N ATOM 863 CA LYS A 57 0.331 15.773 -8.157 1.00 64.54 C ATOM 864 C LYS A 57 0.814 16.458 -9.431 1.00 3.42 C ATOM 865 O LYS A 57 1.805 16.044 -10.033 1.00 44.34 O ATOM 866 CB LYS A 57 1.506 15.566 -7.199 1.00 12.31 C ATOM 867 CG LYS A 57 1.120 14.879 -5.902 1.00 34.43 C ATOM 868 CD LYS A 57 1.867 15.464 -4.715 1.00 70.42 C ATOM 869 CE LYS A 57 3.326 15.037 -4.710 1.00 31.54 C ATOM 870 NZ LYS A 57 3.960 15.245 -3.379 1.00 22.44 N ATOM 0 H LYS A 57 0.319 13.689 -8.393 1.00 24.12 H new ATOM 0 HA LYS A 57 -0.410 16.414 -7.679 1.00 64.54 H new ATOM 0 HB2 LYS A 57 2.272 14.974 -7.700 1.00 12.31 H new ATOM 0 HB3 LYS A 57 1.951 16.534 -6.969 1.00 12.31 H new ATOM 0 HG2 LYS A 57 0.046 14.979 -5.742 1.00 34.43 H new ATOM 0 HG3 LYS A 57 1.333 13.813 -5.977 1.00 34.43 H new ATOM 0 HD2 LYS A 57 1.805 16.552 -4.745 1.00 70.42 H new ATOM 0 HD3 LYS A 57 1.390 15.143 -3.789 1.00 70.42 H new ATOM 0 HE2 LYS A 57 3.397 13.985 -4.986 1.00 31.54 H new ATOM 0 HE3 LYS A 57 3.872 15.602 -5.465 1.00 31.54 H new ATOM 0 HZ1 LYS A 57 4.954 14.942 -3.417 1.00 22.44 H new ATOM 0 HZ2 LYS A 57 3.915 16.253 -3.127 1.00 22.44 H new ATOM 0 HZ3 LYS A 57 3.455 14.686 -2.663 1.00 22.44 H new ATOM 884 N GLY A 58 0.109 17.510 -9.836 1.00 2.22 N ATOM 885 CA GLY A 58 0.484 18.237 -11.035 1.00 73.54 C ATOM 886 C GLY A 58 -0.672 18.390 -12.004 1.00 51.31 C ATOM 887 O GLY A 58 -0.504 18.923 -13.101 1.00 54.20 O ATOM 0 H GLY A 58 -0.715 17.872 -9.355 1.00 2.22 H new ATOM 0 HA2 GLY A 58 0.855 19.224 -10.757 1.00 73.54 H new ATOM 0 HA3 GLY A 58 1.304 17.717 -11.531 1.00 73.54 H new ATOM 891 N MET A 59 -1.847 17.920 -11.601 1.00 32.35 N ATOM 892 CA MET A 59 -3.036 18.007 -12.442 1.00 64.53 C ATOM 893 C MET A 59 -4.028 19.019 -11.878 1.00 50.33 C ATOM 894 O MET A 59 -5.112 19.211 -12.428 1.00 50.12 O ATOM 895 CB MET A 59 -3.702 16.635 -12.564 1.00 62.23 C ATOM 896 CG MET A 59 -2.816 15.586 -13.216 1.00 71.52 C ATOM 897 SD MET A 59 -2.944 15.589 -15.015 1.00 24.33 S ATOM 898 CE MET A 59 -3.991 14.159 -15.282 1.00 44.42 C ATOM 0 H MET A 59 -2.002 17.474 -10.697 1.00 32.35 H new ATOM 0 HA MET A 59 -2.727 18.342 -13.432 1.00 64.53 H new ATOM 0 HB2 MET A 59 -3.989 16.290 -11.571 1.00 62.23 H new ATOM 0 HB3 MET A 59 -4.619 16.736 -13.144 1.00 62.23 H new ATOM 0 HG2 MET A 59 -1.779 15.763 -12.929 1.00 71.52 H new ATOM 0 HG3 MET A 59 -3.088 14.600 -12.838 1.00 71.52 H new ATOM 0 HE1 MET A 59 -4.162 14.028 -16.350 1.00 44.42 H new ATOM 0 HE2 MET A 59 -3.503 13.271 -14.881 1.00 44.42 H new ATOM 0 HE3 MET A 59 -4.945 14.307 -14.777 1.00 44.42 H new ATOM 908 N MET A 60 -3.650 19.663 -10.779 1.00 3.30 N ATOM 909 CA MET A 60 -4.507 20.656 -10.143 1.00 45.12 C ATOM 910 C MET A 60 -3.718 21.916 -9.800 1.00 31.54 C ATOM 911 O MET A 60 -2.577 22.083 -10.232 1.00 22.14 O ATOM 912 CB MET A 60 -5.141 20.077 -8.877 1.00 53.22 C ATOM 913 CG MET A 60 -5.839 18.746 -9.102 1.00 22.21 C ATOM 914 SD MET A 60 -7.442 18.929 -9.908 1.00 21.23 S ATOM 915 CE MET A 60 -7.413 17.537 -11.035 1.00 34.32 C ATOM 0 H MET A 60 -2.756 19.515 -10.311 1.00 3.30 H new ATOM 0 HA MET A 60 -5.296 20.923 -10.847 1.00 45.12 H new ATOM 0 HB2 MET A 60 -4.368 19.949 -8.119 1.00 53.22 H new ATOM 0 HB3 MET A 60 -5.861 20.793 -8.481 1.00 53.22 H new ATOM 0 HG2 MET A 60 -5.202 18.104 -9.711 1.00 22.21 H new ATOM 0 HG3 MET A 60 -5.974 18.244 -8.144 1.00 22.21 H new ATOM 0 HE1 MET A 60 -8.015 17.768 -11.914 1.00 34.32 H new ATOM 0 HE2 MET A 60 -6.386 17.337 -11.340 1.00 34.32 H new ATOM 0 HE3 MET A 60 -7.821 16.657 -10.537 1.00 34.32 H new ATOM 925 N VAL A 61 -4.333 22.801 -9.020 1.00 65.24 N ATOM 926 CA VAL A 61 -3.688 24.045 -8.619 1.00 65.23 C ATOM 927 C VAL A 61 -3.065 23.918 -7.233 1.00 43.45 C ATOM 928 O VAL A 61 -3.290 22.937 -6.526 1.00 74.52 O ATOM 929 CB VAL A 61 -4.684 25.218 -8.617 1.00 54.43 C ATOM 930 CG1 VAL A 61 -5.367 25.342 -9.971 1.00 5.44 C ATOM 931 CG2 VAL A 61 -5.710 25.044 -7.507 1.00 50.33 C ATOM 0 H VAL A 61 -5.277 22.679 -8.654 1.00 65.24 H new ATOM 0 HA VAL A 61 -2.904 24.246 -9.350 1.00 65.23 H new ATOM 0 HB VAL A 61 -4.133 26.139 -8.430 1.00 54.43 H new ATOM 0 HG11 VAL A 61 -6.068 26.177 -9.950 1.00 5.44 H new ATOM 0 HG12 VAL A 61 -4.617 25.517 -10.742 1.00 5.44 H new ATOM 0 HG13 VAL A 61 -5.907 24.421 -10.192 1.00 5.44 H new ATOM 0 HG21 VAL A 61 -6.406 25.883 -7.520 1.00 50.33 H new ATOM 0 HG22 VAL A 61 -6.258 24.115 -7.661 1.00 50.33 H new ATOM 0 HG23 VAL A 61 -5.201 25.010 -6.544 1.00 50.33 H new ATOM 941 N LYS A 62 -2.281 24.919 -6.850 1.00 45.22 N ATOM 942 CA LYS A 62 -1.625 24.923 -5.547 1.00 42.44 C ATOM 943 C LYS A 62 -2.651 24.837 -4.422 1.00 43.12 C ATOM 944 O LYS A 62 -2.641 23.912 -3.610 1.00 2.33 O ATOM 945 CB LYS A 62 -0.777 26.187 -5.383 1.00 73.22 C ATOM 946 CG LYS A 62 -0.677 26.670 -3.947 1.00 64.53 C ATOM 947 CD LYS A 62 0.428 27.700 -3.781 1.00 1.44 C ATOM 948 CE LYS A 62 -0.068 29.104 -4.088 1.00 73.35 C ATOM 949 NZ LYS A 62 -0.862 29.671 -2.963 1.00 71.42 N ATOM 0 H LYS A 62 -2.084 25.739 -7.423 1.00 45.22 H new ATOM 0 HA LYS A 62 -0.976 24.049 -5.492 1.00 42.44 H new ATOM 0 HB2 LYS A 62 0.226 25.993 -5.763 1.00 73.22 H new ATOM 0 HB3 LYS A 62 -1.202 26.982 -5.996 1.00 73.22 H new ATOM 0 HG2 LYS A 62 -1.629 27.104 -3.641 1.00 64.53 H new ATOM 0 HG3 LYS A 62 -0.487 25.822 -3.289 1.00 64.53 H new ATOM 0 HD2 LYS A 62 0.811 27.663 -2.761 1.00 1.44 H new ATOM 0 HD3 LYS A 62 1.259 27.454 -4.442 1.00 1.44 H new ATOM 0 HE2 LYS A 62 0.783 29.753 -4.295 1.00 73.35 H new ATOM 0 HE3 LYS A 62 -0.680 29.084 -4.990 1.00 73.35 H new ATOM 0 HZ1 LYS A 62 -1.562 30.344 -3.336 1.00 71.42 H new ATOM 0 HZ2 LYS A 62 -1.353 28.903 -2.463 1.00 71.42 H new ATOM 0 HZ3 LYS A 62 -0.227 30.163 -2.303 1.00 71.42 H new ATOM 963 N PRO A 63 -3.560 25.822 -4.373 1.00 14.23 N ATOM 964 CA PRO A 63 -4.611 25.879 -3.353 1.00 13.44 C ATOM 965 C PRO A 63 -5.660 24.788 -3.539 1.00 61.35 C ATOM 966 O PRO A 63 -6.861 25.054 -3.494 1.00 54.02 O ATOM 967 CB PRO A 63 -5.234 27.261 -3.561 1.00 12.22 C ATOM 968 CG PRO A 63 -4.958 27.590 -4.987 1.00 65.34 C ATOM 969 CD PRO A 63 -3.632 26.957 -5.308 1.00 41.04 C ATOM 0 HA PRO A 63 -4.214 25.723 -2.350 1.00 13.44 H new ATOM 0 HB2 PRO A 63 -6.305 27.247 -3.358 1.00 12.22 H new ATOM 0 HB3 PRO A 63 -4.792 27.999 -2.892 1.00 12.22 H new ATOM 0 HG2 PRO A 63 -5.743 27.202 -5.636 1.00 65.34 H new ATOM 0 HG3 PRO A 63 -4.923 28.669 -5.139 1.00 65.34 H new ATOM 0 HD2 PRO A 63 -3.585 26.626 -6.346 1.00 41.04 H new ATOM 0 HD3 PRO A 63 -2.807 27.654 -5.158 1.00 41.04 H new ATOM 977 N PHE A 64 -5.198 23.560 -3.750 1.00 10.03 N ATOM 978 CA PHE A 64 -6.097 22.429 -3.944 1.00 22.40 C ATOM 979 C PHE A 64 -5.338 21.108 -3.850 1.00 30.10 C ATOM 980 O PHE A 64 -5.615 20.281 -2.982 1.00 44.02 O ATOM 981 CB PHE A 64 -6.796 22.532 -5.302 1.00 2.23 C ATOM 982 CG PHE A 64 -7.701 21.371 -5.600 1.00 31.10 C ATOM 983 CD1 PHE A 64 -7.195 20.204 -6.149 1.00 1.14 C ATOM 984 CD2 PHE A 64 -9.058 21.447 -5.332 1.00 53.14 C ATOM 985 CE1 PHE A 64 -8.026 19.135 -6.425 1.00 31.30 C ATOM 986 CE2 PHE A 64 -9.895 20.381 -5.606 1.00 65.15 C ATOM 987 CZ PHE A 64 -9.377 19.223 -6.152 1.00 13.30 C ATOM 0 H PHE A 64 -4.207 23.323 -3.791 1.00 10.03 H new ATOM 0 HA PHE A 64 -6.847 22.454 -3.154 1.00 22.40 H new ATOM 0 HB2 PHE A 64 -7.378 23.453 -5.333 1.00 2.23 H new ATOM 0 HB3 PHE A 64 -6.042 22.605 -6.085 1.00 2.23 H new ATOM 0 HD1 PHE A 64 -6.139 20.129 -6.364 1.00 1.14 H new ATOM 0 HD2 PHE A 64 -9.467 22.350 -4.904 1.00 53.14 H new ATOM 0 HE1 PHE A 64 -7.619 18.231 -6.854 1.00 31.30 H new ATOM 0 HE2 PHE A 64 -10.951 20.454 -5.394 1.00 65.15 H new ATOM 0 HZ PHE A 64 -10.027 18.388 -6.365 1.00 13.30 H new ATOM 997 N GLU A 65 -4.379 20.918 -4.751 1.00 2.40 N ATOM 998 CA GLU A 65 -3.580 19.698 -4.771 1.00 10.31 C ATOM 999 C GLU A 65 -2.993 19.411 -3.392 1.00 64.54 C ATOM 1000 O GLU A 65 -3.101 18.296 -2.880 1.00 61.13 O ATOM 1001 CB GLU A 65 -2.457 19.815 -5.803 1.00 30.42 C ATOM 1002 CG GLU A 65 -1.467 18.662 -5.757 1.00 63.23 C ATOM 1003 CD GLU A 65 -0.336 18.825 -6.754 1.00 32.21 C ATOM 1004 OE1 GLU A 65 -0.598 19.309 -7.874 1.00 45.43 O ATOM 1005 OE2 GLU A 65 0.811 18.467 -6.413 1.00 14.23 O ATOM 0 H GLU A 65 -4.137 21.593 -5.476 1.00 2.40 H new ATOM 0 HA GLU A 65 -4.232 18.870 -5.048 1.00 10.31 H new ATOM 0 HB2 GLU A 65 -2.895 19.868 -6.800 1.00 30.42 H new ATOM 0 HB3 GLU A 65 -1.921 20.750 -5.640 1.00 30.42 H new ATOM 0 HG2 GLU A 65 -1.052 18.584 -4.752 1.00 63.23 H new ATOM 0 HG3 GLU A 65 -1.992 17.728 -5.958 1.00 63.23 H new ATOM 1012 N ASP A 66 -2.370 20.423 -2.798 1.00 51.01 N ATOM 1013 CA ASP A 66 -1.766 20.280 -1.480 1.00 23.32 C ATOM 1014 C ASP A 66 -2.793 19.800 -0.459 1.00 4.01 C ATOM 1015 O ASP A 66 -2.469 19.038 0.452 1.00 11.40 O ATOM 1016 CB ASP A 66 -1.160 21.609 -1.026 1.00 51.11 C ATOM 1017 CG ASP A 66 -0.376 21.478 0.265 1.00 12.30 C ATOM 1018 OD1 ASP A 66 -0.997 21.190 1.310 1.00 61.34 O ATOM 1019 OD2 ASP A 66 0.858 21.663 0.231 1.00 12.10 O ATOM 0 H ASP A 66 -2.270 21.351 -3.209 1.00 51.01 H new ATOM 0 HA ASP A 66 -0.975 19.534 -1.550 1.00 23.32 H new ATOM 0 HB2 ASP A 66 -0.505 21.992 -1.808 1.00 51.11 H new ATOM 0 HB3 ASP A 66 -1.957 22.341 -0.891 1.00 51.11 H new ATOM 1024 N ALA A 67 -4.033 20.252 -0.618 1.00 10.20 N ATOM 1025 CA ALA A 67 -5.107 19.868 0.288 1.00 13.41 C ATOM 1026 C ALA A 67 -6.087 18.919 -0.392 1.00 61.13 C ATOM 1027 O ALA A 67 -7.292 18.973 -0.147 1.00 21.40 O ATOM 1028 CB ALA A 67 -5.835 21.104 0.797 1.00 3.14 C ATOM 0 H ALA A 67 -4.318 20.884 -1.366 1.00 10.20 H new ATOM 0 HA ALA A 67 -4.664 19.345 1.135 1.00 13.41 H new ATOM 0 HB1 ALA A 67 -6.635 20.802 1.473 1.00 3.14 H new ATOM 0 HB2 ALA A 67 -5.133 21.746 1.329 1.00 3.14 H new ATOM 0 HB3 ALA A 67 -6.259 21.650 -0.046 1.00 3.14 H new ATOM 1034 N ALA A 68 -5.562 18.050 -1.251 1.00 30.43 N ATOM 1035 CA ALA A 68 -6.391 17.087 -1.966 1.00 43.35 C ATOM 1036 C ALA A 68 -6.018 15.657 -1.592 1.00 4.03 C ATOM 1037 O ALA A 68 -6.800 14.728 -1.793 1.00 53.14 O ATOM 1038 CB ALA A 68 -6.260 17.293 -3.468 1.00 72.55 C ATOM 0 H ALA A 68 -4.567 17.994 -1.468 1.00 30.43 H new ATOM 0 HA ALA A 68 -7.429 17.251 -1.676 1.00 43.35 H new ATOM 0 HB1 ALA A 68 -6.884 16.568 -3.990 1.00 72.55 H new ATOM 0 HB2 ALA A 68 -6.582 18.302 -3.726 1.00 72.55 H new ATOM 0 HB3 ALA A 68 -5.220 17.157 -3.765 1.00 72.55 H new ATOM 1044 N PHE A 69 -4.818 15.487 -1.046 1.00 31.13 N ATOM 1045 CA PHE A 69 -4.342 14.168 -0.644 1.00 42.12 C ATOM 1046 C PHE A 69 -3.942 14.159 0.828 1.00 13.32 C ATOM 1047 O PHE A 69 -3.513 13.135 1.362 1.00 42.22 O ATOM 1048 CB PHE A 69 -3.151 13.748 -1.510 1.00 21.54 C ATOM 1049 CG PHE A 69 -2.163 14.853 -1.747 1.00 41.44 C ATOM 1050 CD1 PHE A 69 -1.499 15.447 -0.685 1.00 54.02 C ATOM 1051 CD2 PHE A 69 -1.897 15.299 -3.031 1.00 70.13 C ATOM 1052 CE1 PHE A 69 -0.590 16.466 -0.901 1.00 63.44 C ATOM 1053 CE2 PHE A 69 -0.989 16.317 -3.254 1.00 24.33 C ATOM 1054 CZ PHE A 69 -0.334 16.900 -2.187 1.00 41.03 C ATOM 0 H PHE A 69 -4.158 16.245 -0.872 1.00 31.13 H new ATOM 0 HA PHE A 69 -5.156 13.457 -0.785 1.00 42.12 H new ATOM 0 HB2 PHE A 69 -2.641 12.912 -1.031 1.00 21.54 H new ATOM 0 HB3 PHE A 69 -3.520 13.389 -2.471 1.00 21.54 H new ATOM 0 HD1 PHE A 69 -1.694 15.110 0.322 1.00 54.02 H new ATOM 0 HD2 PHE A 69 -2.406 14.845 -3.869 1.00 70.13 H new ATOM 0 HE1 PHE A 69 -0.081 16.922 -0.065 1.00 63.44 H new ATOM 0 HE2 PHE A 69 -0.792 16.656 -4.260 1.00 24.33 H new ATOM 0 HZ PHE A 69 0.378 17.694 -2.358 1.00 41.03 H new ATOM 1064 N LYS A 70 -4.087 15.307 1.481 1.00 63.00 N ATOM 1065 CA LYS A 70 -3.743 15.434 2.892 1.00 24.23 C ATOM 1066 C LYS A 70 -4.959 15.170 3.775 1.00 71.44 C ATOM 1067 O LYS A 70 -4.956 15.486 4.965 1.00 51.44 O ATOM 1068 CB LYS A 70 -3.186 16.831 3.180 1.00 65.14 C ATOM 1069 CG LYS A 70 -4.260 17.893 3.341 1.00 70.25 C ATOM 1070 CD LYS A 70 -3.655 19.274 3.521 1.00 43.53 C ATOM 1071 CE LYS A 70 -4.687 20.274 4.021 1.00 5.31 C ATOM 1072 NZ LYS A 70 -4.171 21.670 3.982 1.00 43.52 N ATOM 0 H LYS A 70 -4.441 16.164 1.055 1.00 63.00 H new ATOM 0 HA LYS A 70 -2.980 14.690 3.121 1.00 24.23 H new ATOM 0 HB2 LYS A 70 -2.585 16.793 4.089 1.00 65.14 H new ATOM 0 HB3 LYS A 70 -2.519 17.121 2.369 1.00 65.14 H new ATOM 0 HG2 LYS A 70 -4.910 17.891 2.466 1.00 70.25 H new ATOM 0 HG3 LYS A 70 -4.884 17.653 4.202 1.00 70.25 H new ATOM 0 HD2 LYS A 70 -2.827 19.220 4.228 1.00 43.53 H new ATOM 0 HD3 LYS A 70 -3.243 19.618 2.572 1.00 43.53 H new ATOM 0 HE2 LYS A 70 -5.587 20.202 3.411 1.00 5.31 H new ATOM 0 HE3 LYS A 70 -4.973 20.021 5.042 1.00 5.31 H new ATOM 0 HZ1 LYS A 70 -4.939 22.331 4.217 1.00 43.52 H new ATOM 0 HZ2 LYS A 70 -3.401 21.775 4.673 1.00 43.52 H new ATOM 0 HZ3 LYS A 70 -3.812 21.881 3.029 1.00 43.52 H new ATOM 1086 N LEU A 71 -5.996 14.585 3.185 1.00 64.01 N ATOM 1087 CA LEU A 71 -7.219 14.276 3.918 1.00 63.23 C ATOM 1088 C LEU A 71 -7.266 12.799 4.299 1.00 52.20 C ATOM 1089 O LEU A 71 -6.409 12.016 3.891 1.00 32.42 O ATOM 1090 CB LEU A 71 -8.445 14.637 3.079 1.00 53.13 C ATOM 1091 CG LEU A 71 -8.325 15.898 2.222 1.00 44.25 C ATOM 1092 CD1 LEU A 71 -9.478 15.986 1.235 1.00 12.12 C ATOM 1093 CD2 LEU A 71 -8.277 17.138 3.102 1.00 45.53 C ATOM 0 H LEU A 71 -6.014 14.315 2.201 1.00 64.01 H new ATOM 0 HA LEU A 71 -7.225 14.869 4.832 1.00 63.23 H new ATOM 0 HB2 LEU A 71 -8.672 13.796 2.423 1.00 53.13 H new ATOM 0 HB3 LEU A 71 -9.296 14.757 3.749 1.00 53.13 H new ATOM 0 HG LEU A 71 -7.395 15.842 1.656 1.00 44.25 H new ATOM 0 HD11 LEU A 71 -9.375 16.890 0.635 1.00 12.12 H new ATOM 0 HD12 LEU A 71 -9.466 15.113 0.582 1.00 12.12 H new ATOM 0 HD13 LEU A 71 -10.422 16.018 1.780 1.00 12.12 H new ATOM 0 HD21 LEU A 71 -8.192 18.026 2.475 1.00 45.53 H new ATOM 0 HD22 LEU A 71 -9.190 17.199 3.695 1.00 45.53 H new ATOM 0 HD23 LEU A 71 -7.415 17.079 3.767 1.00 45.53 H new ATOM 1105 N GLN A 72 -8.275 12.427 5.081 1.00 11.33 N ATOM 1106 CA GLN A 72 -8.435 11.045 5.515 1.00 64.32 C ATOM 1107 C GLN A 72 -9.397 10.295 4.600 1.00 61.21 C ATOM 1108 O GLN A 72 -10.074 10.897 3.767 1.00 75.20 O ATOM 1109 CB GLN A 72 -8.941 10.996 6.957 1.00 3.12 C ATOM 1110 CG GLN A 72 -8.178 10.020 7.838 1.00 60.11 C ATOM 1111 CD GLN A 72 -8.458 10.223 9.314 1.00 11.42 C ATOM 1112 OE1 GLN A 72 -8.518 11.355 9.795 1.00 33.41 O ATOM 1113 NE2 GLN A 72 -8.630 9.126 10.041 1.00 24.25 N ATOM 0 H GLN A 72 -8.993 13.064 5.426 1.00 11.33 H new ATOM 0 HA GLN A 72 -7.460 10.560 5.463 1.00 64.32 H new ATOM 0 HB2 GLN A 72 -8.873 11.994 7.391 1.00 3.12 H new ATOM 0 HB3 GLN A 72 -9.996 10.721 6.954 1.00 3.12 H new ATOM 0 HG2 GLN A 72 -8.444 9.000 7.559 1.00 60.11 H new ATOM 0 HG3 GLN A 72 -7.109 10.132 7.656 1.00 60.11 H new ATOM 0 HE21 GLN A 72 -8.572 8.208 9.600 1.00 24.25 H new ATOM 0 HE22 GLN A 72 -8.821 9.201 11.040 1.00 24.25 H new ATOM 1122 N VAL A 73 -9.452 8.977 4.760 1.00 23.45 N ATOM 1123 CA VAL A 73 -10.331 8.143 3.949 1.00 53.51 C ATOM 1124 C VAL A 73 -11.796 8.493 4.190 1.00 4.22 C ATOM 1125 O VAL A 73 -12.427 7.968 5.106 1.00 75.01 O ATOM 1126 CB VAL A 73 -10.118 6.647 4.244 1.00 1.25 C ATOM 1127 CG1 VAL A 73 -10.953 5.792 3.304 1.00 21.14 C ATOM 1128 CG2 VAL A 73 -8.643 6.288 4.137 1.00 52.12 C ATOM 0 H VAL A 73 -8.898 8.463 5.445 1.00 23.45 H new ATOM 0 HA VAL A 73 -10.079 8.339 2.907 1.00 53.51 H new ATOM 0 HB VAL A 73 -10.445 6.446 5.264 1.00 1.25 H new ATOM 0 HG11 VAL A 73 -10.789 4.738 3.528 1.00 21.14 H new ATOM 0 HG12 VAL A 73 -12.008 6.031 3.436 1.00 21.14 H new ATOM 0 HG13 VAL A 73 -10.661 5.993 2.273 1.00 21.14 H new ATOM 0 HG21 VAL A 73 -8.511 5.227 4.349 1.00 52.12 H new ATOM 0 HG22 VAL A 73 -8.288 6.504 3.129 1.00 52.12 H new ATOM 0 HG23 VAL A 73 -8.072 6.875 4.856 1.00 52.12 H new ATOM 1138 N GLY A 74 -12.330 9.385 3.360 1.00 3.14 N ATOM 1139 CA GLY A 74 -13.716 9.791 3.500 1.00 31.43 C ATOM 1140 C GLY A 74 -13.872 11.048 4.331 1.00 3.53 C ATOM 1141 O GLY A 74 -14.919 11.273 4.938 1.00 40.23 O ATOM 0 H GLY A 74 -11.827 9.833 2.594 1.00 3.14 H new ATOM 0 HA2 GLY A 74 -14.144 9.958 2.511 1.00 31.43 H new ATOM 0 HA3 GLY A 74 -14.283 8.982 3.961 1.00 31.43 H new ATOM 1145 N GLU A 75 -12.827 11.870 4.361 1.00 23.42 N ATOM 1146 CA GLU A 75 -12.852 13.110 5.127 1.00 34.14 C ATOM 1147 C GLU A 75 -12.895 14.321 4.201 1.00 75.11 C ATOM 1148 O GLU A 75 -12.222 14.354 3.172 1.00 44.14 O ATOM 1149 CB GLU A 75 -11.627 13.196 6.041 1.00 13.54 C ATOM 1150 CG GLU A 75 -11.959 13.603 7.467 1.00 0.24 C ATOM 1151 CD GLU A 75 -11.880 15.103 7.679 1.00 60.01 C ATOM 1152 OE1 GLU A 75 -10.937 15.727 7.151 1.00 51.32 O ATOM 1153 OE2 GLU A 75 -12.761 15.651 8.374 1.00 64.14 O ATOM 0 H GLU A 75 -11.953 11.699 3.864 1.00 23.42 H new ATOM 0 HA GLU A 75 -13.754 13.110 5.739 1.00 34.14 H new ATOM 0 HB2 GLU A 75 -11.126 12.228 6.056 1.00 13.54 H new ATOM 0 HB3 GLU A 75 -10.921 13.913 5.622 1.00 13.54 H new ATOM 0 HG2 GLU A 75 -12.962 13.257 7.715 1.00 0.24 H new ATOM 0 HG3 GLU A 75 -11.272 13.106 8.152 1.00 0.24 H new ATOM 1160 N VAL A 76 -13.695 15.316 4.574 1.00 2.21 N ATOM 1161 CA VAL A 76 -13.827 16.530 3.777 1.00 13.12 C ATOM 1162 C VAL A 76 -12.778 17.563 4.171 1.00 24.33 C ATOM 1163 O VAL A 76 -12.509 17.771 5.355 1.00 61.32 O ATOM 1164 CB VAL A 76 -15.228 17.152 3.931 1.00 3.32 C ATOM 1165 CG1 VAL A 76 -15.346 18.416 3.092 1.00 25.24 C ATOM 1166 CG2 VAL A 76 -16.302 16.146 3.548 1.00 21.03 C ATOM 0 H VAL A 76 -14.261 15.305 5.423 1.00 2.21 H new ATOM 0 HA VAL A 76 -13.677 16.244 2.736 1.00 13.12 H new ATOM 0 HB VAL A 76 -15.373 17.424 4.977 1.00 3.32 H new ATOM 0 HG11 VAL A 76 -16.342 18.842 3.213 1.00 25.24 H new ATOM 0 HG12 VAL A 76 -14.600 19.140 3.418 1.00 25.24 H new ATOM 0 HG13 VAL A 76 -15.181 18.173 2.042 1.00 25.24 H new ATOM 0 HG21 VAL A 76 -17.285 16.602 3.663 1.00 21.03 H new ATOM 0 HG22 VAL A 76 -16.162 15.841 2.511 1.00 21.03 H new ATOM 0 HG23 VAL A 76 -16.230 15.272 4.196 1.00 21.03 H new ATOM 1176 N SER A 77 -12.187 18.209 3.172 1.00 44.25 N ATOM 1177 CA SER A 77 -11.163 19.220 3.414 1.00 5.34 C ATOM 1178 C SER A 77 -11.796 20.547 3.822 1.00 5.12 C ATOM 1179 O SER A 77 -13.003 20.629 4.039 1.00 54.24 O ATOM 1180 CB SER A 77 -10.303 19.415 2.163 1.00 32.34 C ATOM 1181 OG SER A 77 -9.047 19.983 2.492 1.00 22.33 O ATOM 0 H SER A 77 -12.399 18.051 2.187 1.00 44.25 H new ATOM 0 HA SER A 77 -10.530 18.873 4.231 1.00 5.34 H new ATOM 0 HB2 SER A 77 -10.153 18.456 1.667 1.00 32.34 H new ATOM 0 HB3 SER A 77 -10.824 20.061 1.456 1.00 32.34 H new ATOM 0 HG SER A 77 -8.799 20.644 1.813 1.00 22.33 H new ATOM 1187 N GLU A 78 -10.968 21.583 3.925 1.00 33.44 N ATOM 1188 CA GLU A 78 -11.446 22.906 4.308 1.00 31.20 C ATOM 1189 C GLU A 78 -11.689 23.775 3.076 1.00 25.43 C ATOM 1190 O GLU A 78 -11.190 23.500 1.985 1.00 4.53 O ATOM 1191 CB GLU A 78 -10.439 23.587 5.236 1.00 2.53 C ATOM 1192 CG GLU A 78 -9.511 22.616 5.946 1.00 13.40 C ATOM 1193 CD GLU A 78 -10.262 21.601 6.786 1.00 34.42 C ATOM 1194 OE1 GLU A 78 -10.918 22.012 7.767 1.00 25.43 O ATOM 1195 OE2 GLU A 78 -10.195 20.397 6.464 1.00 25.33 O ATOM 0 H GLU A 78 -9.965 21.531 3.749 1.00 33.44 H new ATOM 0 HA GLU A 78 -12.391 22.784 4.837 1.00 31.20 H new ATOM 0 HB2 GLU A 78 -9.841 24.290 4.656 1.00 2.53 H new ATOM 0 HB3 GLU A 78 -10.981 24.169 5.981 1.00 2.53 H new ATOM 0 HG2 GLU A 78 -8.904 22.093 5.207 1.00 13.40 H new ATOM 0 HG3 GLU A 78 -8.826 23.174 6.584 1.00 13.40 H new ATOM 1202 N PRO A 79 -12.474 24.847 3.254 1.00 1.44 N ATOM 1203 CA PRO A 79 -12.800 25.777 2.171 1.00 50.44 C ATOM 1204 C PRO A 79 -11.597 26.608 1.737 1.00 31.12 C ATOM 1205 O PRO A 79 -11.400 27.726 2.213 1.00 42.22 O ATOM 1206 CB PRO A 79 -13.876 26.675 2.785 1.00 13.53 C ATOM 1207 CG PRO A 79 -13.626 26.617 4.253 1.00 65.34 C ATOM 1208 CD PRO A 79 -13.102 25.234 4.528 1.00 13.54 C ATOM 0 HA PRO A 79 -13.124 25.255 1.271 1.00 50.44 H new ATOM 0 HB2 PRO A 79 -13.800 27.696 2.411 1.00 13.53 H new ATOM 0 HB3 PRO A 79 -14.876 26.319 2.539 1.00 13.53 H new ATOM 0 HG2 PRO A 79 -12.904 27.376 4.557 1.00 65.34 H new ATOM 0 HG3 PRO A 79 -14.542 26.806 4.813 1.00 65.34 H new ATOM 0 HD2 PRO A 79 -12.383 25.232 5.347 1.00 13.54 H new ATOM 0 HD3 PRO A 79 -13.903 24.549 4.806 1.00 13.54 H new ATOM 1216 N ILE A 80 -10.797 26.055 0.832 1.00 23.32 N ATOM 1217 CA ILE A 80 -9.614 26.747 0.334 1.00 72.43 C ATOM 1218 C ILE A 80 -9.993 27.823 -0.676 1.00 42.53 C ATOM 1219 O ILE A 80 -10.416 27.523 -1.793 1.00 3.32 O ATOM 1220 CB ILE A 80 -8.624 25.767 -0.323 1.00 73.43 C ATOM 1221 CG1 ILE A 80 -8.385 24.561 0.589 1.00 50.15 C ATOM 1222 CG2 ILE A 80 -7.312 26.470 -0.637 1.00 22.34 C ATOM 1223 CD1 ILE A 80 -7.704 24.915 1.892 1.00 52.31 C ATOM 0 H ILE A 80 -10.946 25.130 0.429 1.00 23.32 H new ATOM 0 HA ILE A 80 -9.134 27.213 1.195 1.00 72.43 H new ATOM 0 HB ILE A 80 -9.055 25.411 -1.259 1.00 73.43 H new ATOM 0 HG12 ILE A 80 -9.341 24.084 0.806 1.00 50.15 H new ATOM 0 HG13 ILE A 80 -7.777 23.829 0.058 1.00 50.15 H new ATOM 0 HG21 ILE A 80 -6.623 25.764 -1.101 1.00 22.34 H new ATOM 0 HG22 ILE A 80 -7.498 27.298 -1.321 1.00 22.34 H new ATOM 0 HG23 ILE A 80 -6.874 26.852 0.285 1.00 22.34 H new ATOM 0 HD11 ILE A 80 -7.567 24.013 2.488 1.00 52.31 H new ATOM 0 HD12 ILE A 80 -6.733 25.364 1.685 1.00 52.31 H new ATOM 0 HD13 ILE A 80 -8.321 25.624 2.444 1.00 52.31 H new ATOM 1235 N LYS A 81 -9.835 29.082 -0.279 1.00 61.41 N ATOM 1236 CA LYS A 81 -10.156 30.206 -1.150 1.00 4.33 C ATOM 1237 C LYS A 81 -9.105 30.364 -2.244 1.00 71.15 C ATOM 1238 O LYS A 81 -7.934 30.615 -1.963 1.00 11.50 O ATOM 1239 CB LYS A 81 -10.255 31.498 -0.334 1.00 70.43 C ATOM 1240 CG LYS A 81 -10.779 32.681 -1.130 1.00 32.44 C ATOM 1241 CD LYS A 81 -12.208 33.025 -0.739 1.00 44.32 C ATOM 1242 CE LYS A 81 -12.738 34.199 -1.548 1.00 32.32 C ATOM 1243 NZ LYS A 81 -12.554 33.992 -3.011 1.00 52.42 N ATOM 0 H LYS A 81 -9.486 29.349 0.642 1.00 61.41 H new ATOM 0 HA LYS A 81 -11.118 30.005 -1.621 1.00 4.33 H new ATOM 0 HB2 LYS A 81 -10.909 31.328 0.522 1.00 70.43 H new ATOM 0 HB3 LYS A 81 -9.270 31.745 0.061 1.00 70.43 H new ATOM 0 HG2 LYS A 81 -10.137 33.546 -0.964 1.00 32.44 H new ATOM 0 HG3 LYS A 81 -10.737 32.452 -2.195 1.00 32.44 H new ATOM 0 HD2 LYS A 81 -12.848 32.156 -0.893 1.00 44.32 H new ATOM 0 HD3 LYS A 81 -12.248 33.266 0.323 1.00 44.32 H new ATOM 0 HE2 LYS A 81 -13.797 34.341 -1.332 1.00 32.32 H new ATOM 0 HE3 LYS A 81 -12.225 35.111 -1.243 1.00 32.32 H new ATOM 0 HZ1 LYS A 81 -13.141 34.672 -3.534 1.00 52.42 H new ATOM 0 HZ2 LYS A 81 -11.554 34.135 -3.259 1.00 52.42 H new ATOM 0 HZ3 LYS A 81 -12.838 33.024 -3.263 1.00 52.42 H new ATOM 1257 N SER A 82 -9.533 30.214 -3.494 1.00 41.21 N ATOM 1258 CA SER A 82 -8.629 30.338 -4.631 1.00 51.13 C ATOM 1259 C SER A 82 -9.266 31.164 -5.744 1.00 41.44 C ATOM 1260 O SER A 82 -10.332 31.751 -5.564 1.00 23.51 O ATOM 1261 CB SER A 82 -8.249 28.954 -5.161 1.00 73.14 C ATOM 1262 OG SER A 82 -9.202 28.490 -6.102 1.00 30.22 O ATOM 0 H SER A 82 -10.500 30.007 -3.744 1.00 41.21 H new ATOM 0 HA SER A 82 -7.728 30.850 -4.293 1.00 51.13 H new ATOM 0 HB2 SER A 82 -7.264 28.997 -5.627 1.00 73.14 H new ATOM 0 HB3 SER A 82 -8.179 28.250 -4.332 1.00 73.14 H new ATOM 0 HG SER A 82 -9.154 27.513 -6.162 1.00 30.22 H new ATOM 1268 N GLU A 83 -8.602 31.205 -6.896 1.00 31.31 N ATOM 1269 CA GLU A 83 -9.102 31.960 -8.038 1.00 53.05 C ATOM 1270 C GLU A 83 -10.494 31.480 -8.441 1.00 23.40 C ATOM 1271 O GLU A 83 -11.304 32.249 -8.959 1.00 23.24 O ATOM 1272 CB GLU A 83 -8.144 31.831 -9.223 1.00 43.23 C ATOM 1273 CG GLU A 83 -7.955 30.400 -9.700 1.00 45.02 C ATOM 1274 CD GLU A 83 -6.699 30.224 -10.532 1.00 30.10 C ATOM 1275 OE1 GLU A 83 -6.261 31.209 -11.163 1.00 10.10 O ATOM 1276 OE2 GLU A 83 -6.155 29.100 -10.553 1.00 5.10 O ATOM 0 H GLU A 83 -7.718 30.725 -7.062 1.00 31.31 H new ATOM 0 HA GLU A 83 -9.168 33.008 -7.746 1.00 53.05 H new ATOM 0 HB2 GLU A 83 -8.519 32.434 -10.050 1.00 43.23 H new ATOM 0 HB3 GLU A 83 -7.175 32.243 -8.942 1.00 43.23 H new ATOM 0 HG2 GLU A 83 -7.911 29.736 -8.837 1.00 45.02 H new ATOM 0 HG3 GLU A 83 -8.822 30.100 -10.289 1.00 45.02 H new ATOM 1283 N PHE A 84 -10.764 30.200 -8.202 1.00 2.03 N ATOM 1284 CA PHE A 84 -12.056 29.615 -8.540 1.00 43.23 C ATOM 1285 C PHE A 84 -13.022 29.711 -7.363 1.00 22.21 C ATOM 1286 O PHE A 84 -14.237 29.638 -7.536 1.00 14.34 O ATOM 1287 CB PHE A 84 -11.884 28.152 -8.956 1.00 5.33 C ATOM 1288 CG PHE A 84 -10.783 27.939 -9.956 1.00 22.31 C ATOM 1289 CD1 PHE A 84 -10.790 28.611 -11.167 1.00 42.14 C ATOM 1290 CD2 PHE A 84 -9.742 27.067 -9.683 1.00 63.51 C ATOM 1291 CE1 PHE A 84 -9.779 28.416 -12.089 1.00 43.02 C ATOM 1292 CE2 PHE A 84 -8.728 26.868 -10.602 1.00 23.12 C ATOM 1293 CZ PHE A 84 -8.745 27.544 -11.805 1.00 33.10 C ATOM 0 H PHE A 84 -10.105 29.549 -7.776 1.00 2.03 H new ATOM 0 HA PHE A 84 -12.473 30.177 -9.376 1.00 43.23 H new ATOM 0 HB2 PHE A 84 -11.680 27.552 -8.069 1.00 5.33 H new ATOM 0 HB3 PHE A 84 -12.822 27.790 -9.377 1.00 5.33 H new ATOM 0 HD1 PHE A 84 -11.594 29.295 -11.393 1.00 42.14 H new ATOM 0 HD2 PHE A 84 -9.722 26.537 -8.742 1.00 63.51 H new ATOM 0 HE1 PHE A 84 -9.797 28.945 -13.031 1.00 43.02 H new ATOM 0 HE2 PHE A 84 -7.923 26.184 -10.378 1.00 23.12 H new ATOM 0 HZ PHE A 84 -7.952 27.392 -12.523 1.00 33.10 H new ATOM 1303 N GLY A 85 -12.469 29.873 -6.164 1.00 13.41 N ATOM 1304 CA GLY A 85 -13.296 29.975 -4.975 1.00 3.20 C ATOM 1305 C GLY A 85 -12.927 28.947 -3.923 1.00 50.43 C ATOM 1306 O GLY A 85 -11.802 28.449 -3.899 1.00 45.14 O ATOM 0 H GLY A 85 -11.465 29.935 -5.995 1.00 13.41 H new ATOM 0 HA2 GLY A 85 -13.197 30.975 -4.552 1.00 3.20 H new ATOM 0 HA3 GLY A 85 -14.343 29.848 -5.252 1.00 3.20 H new ATOM 1310 N TYR A 86 -13.878 28.629 -3.051 1.00 41.41 N ATOM 1311 CA TYR A 86 -13.647 27.656 -1.990 1.00 41.25 C ATOM 1312 C TYR A 86 -13.670 26.234 -2.540 1.00 72.14 C ATOM 1313 O TYR A 86 -14.668 25.794 -3.113 1.00 64.42 O ATOM 1314 CB TYR A 86 -14.700 27.809 -0.892 1.00 74.23 C ATOM 1315 CG TYR A 86 -14.630 29.132 -0.164 1.00 22.34 C ATOM 1316 CD1 TYR A 86 -13.505 29.481 0.574 1.00 32.13 C ATOM 1317 CD2 TYR A 86 -15.686 30.032 -0.213 1.00 41.44 C ATOM 1318 CE1 TYR A 86 -13.437 30.688 1.243 1.00 62.05 C ATOM 1319 CE2 TYR A 86 -15.626 31.242 0.450 1.00 5.21 C ATOM 1320 CZ TYR A 86 -14.499 31.566 1.177 1.00 32.33 C ATOM 1321 OH TYR A 86 -14.434 32.769 1.840 1.00 12.53 O ATOM 0 H TYR A 86 -14.816 29.031 -3.058 1.00 41.41 H new ATOM 0 HA TYR A 86 -12.661 27.845 -1.566 1.00 41.25 H new ATOM 0 HB2 TYR A 86 -15.691 27.699 -1.333 1.00 74.23 H new ATOM 0 HB3 TYR A 86 -14.580 27.001 -0.171 1.00 74.23 H new ATOM 0 HD1 TYR A 86 -12.670 28.798 0.625 1.00 32.13 H new ATOM 0 HD2 TYR A 86 -16.570 29.781 -0.780 1.00 41.44 H new ATOM 0 HE1 TYR A 86 -12.557 30.943 1.815 1.00 62.05 H new ATOM 0 HE2 TYR A 86 -16.456 31.931 0.400 1.00 5.21 H new ATOM 0 HH TYR A 86 -15.328 33.168 1.882 1.00 12.53 H new ATOM 1331 N HIS A 87 -12.564 25.518 -2.361 1.00 54.25 N ATOM 1332 CA HIS A 87 -12.457 24.144 -2.838 1.00 44.41 C ATOM 1333 C HIS A 87 -12.700 23.154 -1.702 1.00 43.51 C ATOM 1334 O HIS A 87 -12.056 23.228 -0.654 1.00 32.22 O ATOM 1335 CB HIS A 87 -11.079 23.902 -3.455 1.00 5.23 C ATOM 1336 CG HIS A 87 -10.875 24.607 -4.760 1.00 52.21 C ATOM 1337 ND1 HIS A 87 -11.019 23.984 -5.983 1.00 30.44 N ATOM 1338 CD2 HIS A 87 -10.539 25.889 -5.031 1.00 45.22 C ATOM 1339 CE1 HIS A 87 -10.777 24.852 -6.948 1.00 54.13 C ATOM 1340 NE2 HIS A 87 -10.484 26.017 -6.397 1.00 33.30 N ATOM 0 H HIS A 87 -11.730 25.867 -1.889 1.00 54.25 H new ATOM 0 HA HIS A 87 -13.220 23.990 -3.601 1.00 44.41 H new ATOM 0 HB2 HIS A 87 -10.313 24.228 -2.752 1.00 5.23 H new ATOM 0 HB3 HIS A 87 -10.940 22.831 -3.604 1.00 5.23 H new ATOM 0 HD1 HIS A 87 -11.273 23.006 -6.120 1.00 30.44 H new ATOM 0 HD2 HIS A 87 -10.349 26.668 -4.307 1.00 45.22 H new ATOM 0 HE1 HIS A 87 -10.812 24.645 -8.007 1.00 54.13 H new ATOM 1348 N ILE A 88 -13.631 22.232 -1.917 1.00 61.15 N ATOM 1349 CA ILE A 88 -13.957 21.229 -0.912 1.00 30.44 C ATOM 1350 C ILE A 88 -13.596 19.828 -1.395 1.00 52.11 C ATOM 1351 O ILE A 88 -14.439 19.110 -1.935 1.00 44.12 O ATOM 1352 CB ILE A 88 -15.453 21.263 -0.547 1.00 22.04 C ATOM 1353 CG1 ILE A 88 -15.830 22.633 0.021 1.00 50.34 C ATOM 1354 CG2 ILE A 88 -15.780 20.162 0.451 1.00 33.00 C ATOM 1355 CD1 ILE A 88 -15.032 23.020 1.247 1.00 70.45 C ATOM 0 H ILE A 88 -14.173 22.159 -2.778 1.00 61.15 H new ATOM 0 HA ILE A 88 -13.369 21.468 -0.026 1.00 30.44 H new ATOM 0 HB ILE A 88 -16.037 21.092 -1.451 1.00 22.04 H new ATOM 0 HG12 ILE A 88 -15.685 23.389 -0.750 1.00 50.34 H new ATOM 0 HG13 ILE A 88 -16.891 22.634 0.273 1.00 50.34 H new ATOM 0 HG21 ILE A 88 -16.841 20.199 0.699 1.00 33.00 H new ATOM 0 HG22 ILE A 88 -15.543 19.192 0.013 1.00 33.00 H new ATOM 0 HG23 ILE A 88 -15.190 20.305 1.357 1.00 33.00 H new ATOM 0 HD11 ILE A 88 -15.353 24.002 1.595 1.00 70.45 H new ATOM 0 HD12 ILE A 88 -15.196 22.285 2.035 1.00 70.45 H new ATOM 0 HD13 ILE A 88 -13.972 23.052 0.996 1.00 70.45 H new ATOM 1367 N ILE A 89 -12.340 19.444 -1.196 1.00 4.52 N ATOM 1368 CA ILE A 89 -11.867 18.129 -1.609 1.00 30.43 C ATOM 1369 C ILE A 89 -12.247 17.063 -0.586 1.00 71.14 C ATOM 1370 O ILE A 89 -12.023 17.229 0.613 1.00 10.41 O ATOM 1371 CB ILE A 89 -10.340 18.115 -1.805 1.00 74.02 C ATOM 1372 CG1 ILE A 89 -9.893 19.351 -2.589 1.00 13.14 C ATOM 1373 CG2 ILE A 89 -9.910 16.843 -2.520 1.00 71.13 C ATOM 1374 CD1 ILE A 89 -9.255 20.416 -1.724 1.00 63.43 C ATOM 0 H ILE A 89 -11.631 20.026 -0.751 1.00 4.52 H new ATOM 0 HA ILE A 89 -12.348 17.905 -2.561 1.00 30.43 H new ATOM 0 HB ILE A 89 -9.862 18.137 -0.826 1.00 74.02 H new ATOM 0 HG12 ILE A 89 -9.184 19.046 -3.359 1.00 13.14 H new ATOM 0 HG13 ILE A 89 -10.755 19.778 -3.101 1.00 13.14 H new ATOM 0 HG21 ILE A 89 -8.828 16.848 -2.651 1.00 71.13 H new ATOM 0 HG22 ILE A 89 -10.200 15.976 -1.926 1.00 71.13 H new ATOM 0 HG23 ILE A 89 -10.394 16.793 -3.495 1.00 71.13 H new ATOM 0 HD11 ILE A 89 -8.963 21.262 -2.345 1.00 63.43 H new ATOM 0 HD12 ILE A 89 -9.969 20.748 -0.970 1.00 63.43 H new ATOM 0 HD13 ILE A 89 -8.373 20.005 -1.232 1.00 63.43 H new ATOM 1386 N LYS A 90 -12.823 15.967 -1.069 1.00 5.33 N ATOM 1387 CA LYS A 90 -13.231 14.871 -0.199 1.00 73.41 C ATOM 1388 C LYS A 90 -12.754 13.531 -0.751 1.00 35.30 C ATOM 1389 O LYS A 90 -13.116 13.143 -1.861 1.00 60.11 O ATOM 1390 CB LYS A 90 -14.754 14.857 -0.042 1.00 63.35 C ATOM 1391 CG LYS A 90 -15.262 13.749 0.864 1.00 51.34 C ATOM 1392 CD LYS A 90 -16.750 13.508 0.669 1.00 23.12 C ATOM 1393 CE LYS A 90 -17.171 12.153 1.219 1.00 54.55 C ATOM 1394 NZ LYS A 90 -18.652 12.031 1.315 1.00 13.52 N ATOM 0 H LYS A 90 -13.018 15.815 -2.059 1.00 5.33 H new ATOM 0 HA LYS A 90 -12.772 15.026 0.778 1.00 73.41 H new ATOM 0 HB2 LYS A 90 -15.079 15.818 0.357 1.00 63.35 H new ATOM 0 HB3 LYS A 90 -15.211 14.749 -1.026 1.00 63.35 H new ATOM 0 HG2 LYS A 90 -14.714 12.830 0.659 1.00 51.34 H new ATOM 0 HG3 LYS A 90 -15.068 14.011 1.904 1.00 51.34 H new ATOM 0 HD2 LYS A 90 -17.316 14.296 1.166 1.00 23.12 H new ATOM 0 HD3 LYS A 90 -16.993 13.563 -0.392 1.00 23.12 H new ATOM 0 HE2 LYS A 90 -16.782 11.363 0.576 1.00 54.55 H new ATOM 0 HE3 LYS A 90 -16.730 12.008 2.205 1.00 54.55 H new ATOM 0 HZ1 LYS A 90 -18.895 11.250 1.958 1.00 13.52 H new ATOM 0 HZ2 LYS A 90 -19.050 12.919 1.682 1.00 13.52 H new ATOM 0 HZ3 LYS A 90 -19.046 11.838 0.372 1.00 13.52 H new ATOM 1408 N ARG A 91 -11.942 12.829 0.033 1.00 21.03 N ATOM 1409 CA ARG A 91 -11.416 11.532 -0.378 1.00 14.52 C ATOM 1410 C ARG A 91 -12.525 10.485 -0.424 1.00 14.54 C ATOM 1411 O ARG A 91 -13.451 10.510 0.389 1.00 51.41 O ATOM 1412 CB ARG A 91 -10.312 11.080 0.579 1.00 11.11 C ATOM 1413 CG ARG A 91 -9.711 9.730 0.220 1.00 1.53 C ATOM 1414 CD ARG A 91 -8.355 9.532 0.879 1.00 24.31 C ATOM 1415 NE ARG A 91 -8.010 8.118 1.008 1.00 15.31 N ATOM 1416 CZ ARG A 91 -6.776 7.679 1.225 1.00 44.41 C ATOM 1417 NH1 ARG A 91 -5.773 8.540 1.337 1.00 34.14 N ATOM 1418 NH2 ARG A 91 -6.542 6.378 1.331 1.00 15.22 N ATOM 0 H ARG A 91 -11.634 13.136 0.956 1.00 21.03 H new ATOM 0 HA ARG A 91 -10.999 11.638 -1.379 1.00 14.52 H new ATOM 0 HB2 ARG A 91 -9.521 11.830 0.588 1.00 11.11 H new ATOM 0 HB3 ARG A 91 -10.716 11.031 1.590 1.00 11.11 H new ATOM 0 HG2 ARG A 91 -10.388 8.935 0.532 1.00 1.53 H new ATOM 0 HG3 ARG A 91 -9.606 9.653 -0.862 1.00 1.53 H new ATOM 0 HD2 ARG A 91 -7.589 10.040 0.293 1.00 24.31 H new ATOM 0 HD3 ARG A 91 -8.360 9.995 1.866 1.00 24.31 H new ATOM 0 HE ARG A 91 -8.759 7.430 0.927 1.00 15.31 H new ATOM 0 HH11 ARG A 91 -5.949 9.541 1.256 1.00 34.14 H new ATOM 0 HH12 ARG A 91 -4.826 8.201 1.504 1.00 34.14 H new ATOM 0 HH21 ARG A 91 -7.311 5.713 1.246 1.00 15.22 H new ATOM 0 HH22 ARG A 91 -5.593 6.042 1.498 1.00 15.22 H new ATOM 1432 N PHE A 92 -12.427 9.567 -1.379 1.00 4.44 N ATOM 1433 CA PHE A 92 -13.422 8.513 -1.532 1.00 24.13 C ATOM 1434 C PHE A 92 -12.779 7.135 -1.400 1.00 24.22 C ATOM 1435 O PHE A 92 -13.402 6.190 -0.919 1.00 34.14 O ATOM 1436 CB PHE A 92 -14.121 8.634 -2.887 1.00 52.43 C ATOM 1437 CG PHE A 92 -15.323 9.536 -2.863 1.00 63.41 C ATOM 1438 CD1 PHE A 92 -15.217 10.840 -2.407 1.00 0.15 C ATOM 1439 CD2 PHE A 92 -16.556 9.079 -3.296 1.00 53.54 C ATOM 1440 CE1 PHE A 92 -16.321 11.673 -2.383 1.00 31.32 C ATOM 1441 CE2 PHE A 92 -17.663 9.907 -3.276 1.00 55.43 C ATOM 1442 CZ PHE A 92 -17.545 11.205 -2.817 1.00 72.34 C ATOM 0 H PHE A 92 -11.668 9.532 -2.059 1.00 4.44 H new ATOM 0 HA PHE A 92 -14.161 8.628 -0.739 1.00 24.13 H new ATOM 0 HB2 PHE A 92 -13.409 9.010 -3.622 1.00 52.43 H new ATOM 0 HB3 PHE A 92 -14.428 7.642 -3.219 1.00 52.43 H new ATOM 0 HD1 PHE A 92 -14.261 11.210 -2.066 1.00 0.15 H new ATOM 0 HD2 PHE A 92 -16.654 8.065 -3.653 1.00 53.54 H new ATOM 0 HE1 PHE A 92 -16.226 12.688 -2.025 1.00 31.32 H new ATOM 0 HE2 PHE A 92 -18.619 9.540 -3.619 1.00 55.43 H new ATOM 0 HZ PHE A 92 -18.409 11.852 -2.798 1.00 72.34 H new ATOM 1452 N GLY A 93 -11.526 7.029 -1.834 1.00 12.44 N ATOM 1453 CA GLY A 93 -10.819 5.764 -1.757 1.00 3.55 C ATOM 1454 C GLY A 93 -10.836 5.174 -0.360 1.00 52.44 C ATOM 1455 O GLY A 93 -10.316 4.081 -0.136 1.00 12.24 O ATOM 0 H GLY A 93 -10.989 7.796 -2.237 1.00 12.44 H new ATOM 0 HA2 GLY A 93 -11.270 5.056 -2.452 1.00 3.55 H new ATOM 0 HA3 GLY A 93 -9.786 5.909 -2.074 1.00 3.55 H new TER 1459 GLY A 93