USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 726 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 40 TYR OH : rot 47:sc= -2.87! USER MOD Set 1.2: A 82 TYR OH : rot -91:sc= 1.28 USER MOD Set 2.1: A 25 ASN : amide:sc= -0.195 K(o=-0.7,f=-1.6) USER MOD Set 2.2: A 27 HIS : no HD1:sc= -0.501 K(o=-0.7,f=-1.8) USER MOD Set 3.1: A 14 TYR OH : rot 180:sc= -0.207 USER MOD Set 3.2: A 44 GLN : amide:sc= -0.513 K(o=-0.72,f=0.37) USER MOD Single : A 1 HIS : no HD1:sc= -0.0648 X(o=-0.065,f=-0.077) USER MOD Single : A 1 HIS N :NH3+ 168:sc= 0 (180deg=-0.137) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -3.12! C(o=-3.1!,f=-2.9!) USER MOD Single : A 15 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.057) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0335 USER MOD Single : A 37 LYS NZ :NH3+ -131:sc= 0.776 (180deg=-0.202) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.1) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00107) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -3.15! C(o=-3.1!,f=-6.9!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 50:sc= -1.7 USER MOD Single : A 70 ASN : amide:sc= -5.76! C(o=-5.8!,f=-11!) USER MOD Single : A 73 ASN : amide:sc= -0.629 X(o=-0.63,f=-1.1) USER MOD Single : A 75 THR OG1 : rot -140:sc= 0.397 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -87:sc= 1.23 USER MOD Single : A 81 ASN : amide:sc= -0.711 K(o=-0.71,f=-2.1!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -6.668 -13.497 10.348 1.00 32.41 N ATOM 2 CA HIS A 1 -7.760 -12.631 9.915 1.00 43.45 C ATOM 3 C HIS A 1 -8.757 -12.406 11.047 1.00 44.23 C ATOM 4 O HIS A 1 -9.966 -12.367 10.823 1.00 62.11 O ATOM 5 CB HIS A 1 -8.471 -13.239 8.705 1.00 24.25 C ATOM 6 CG HIS A 1 -9.270 -12.245 7.920 1.00 33.04 C ATOM 7 ND1 HIS A 1 -10.644 -12.296 7.818 1.00 31.41 N ATOM 8 CD2 HIS A 1 -8.881 -11.168 7.198 1.00 14.11 C ATOM 9 CE1 HIS A 1 -11.066 -11.295 7.065 1.00 61.22 C ATOM 10 NE2 HIS A 1 -10.016 -10.595 6.677 1.00 41.03 N ATOM 0 H1 HIS A 1 -6.117 -13.801 9.520 1.00 32.41 H new ATOM 0 H2 HIS A 1 -6.051 -12.976 11.003 1.00 32.41 H new ATOM 0 H3 HIS A 1 -7.058 -14.332 10.830 1.00 32.41 H new ATOM 0 HA HIS A 1 -7.337 -11.667 9.632 1.00 43.45 H new ATOM 0 HB2 HIS A 1 -7.730 -13.696 8.050 1.00 24.25 H new ATOM 0 HB3 HIS A 1 -9.131 -14.037 9.045 1.00 24.25 H new ATOM 0 HD2 HIS A 1 -7.867 -10.823 7.058 1.00 14.11 H new ATOM 0 HE1 HIS A 1 -12.094 -11.085 6.811 1.00 61.22 H new ATOM 0 HE2 HIS A 1 -10.043 -9.764 6.086 1.00 41.03 H new ATOM 19 N MET A 2 -8.241 -12.260 12.264 1.00 52.12 N ATOM 20 CA MET A 2 -9.086 -12.038 13.430 1.00 35.21 C ATOM 21 C MET A 2 -8.537 -10.907 14.294 1.00 40.22 C ATOM 22 O MET A 2 -7.985 -11.145 15.369 1.00 34.30 O ATOM 23 CB MET A 2 -9.196 -13.321 14.258 1.00 44.22 C ATOM 24 CG MET A 2 -10.240 -14.293 13.736 1.00 54.14 C ATOM 25 SD MET A 2 -9.517 -15.652 12.797 1.00 50.20 S ATOM 26 CE MET A 2 -9.622 -16.983 13.990 1.00 24.51 C ATOM 0 H MET A 2 -7.242 -12.292 12.467 1.00 52.12 H new ATOM 0 HA MET A 2 -10.078 -11.753 13.079 1.00 35.21 H new ATOM 0 HB2 MET A 2 -8.226 -13.817 14.275 1.00 44.22 H new ATOM 0 HB3 MET A 2 -9.438 -13.059 15.288 1.00 44.22 H new ATOM 0 HG2 MET A 2 -10.806 -14.697 14.575 1.00 54.14 H new ATOM 0 HG3 MET A 2 -10.947 -13.756 13.104 1.00 54.14 H new ATOM 0 HE1 MET A 2 -9.212 -17.895 13.555 1.00 24.51 H new ATOM 0 HE2 MET A 2 -9.053 -16.718 14.881 1.00 24.51 H new ATOM 0 HE3 MET A 2 -10.665 -17.147 14.261 1.00 24.51 H new ATOM 36 N LYS A 3 -8.690 -9.677 13.817 1.00 2.12 N ATOM 37 CA LYS A 3 -8.210 -8.508 14.545 1.00 4.51 C ATOM 38 C LYS A 3 -8.973 -7.255 14.125 1.00 1.00 C ATOM 39 O LYS A 3 -9.890 -7.322 13.307 1.00 3.52 O ATOM 40 CB LYS A 3 -6.712 -8.311 14.303 1.00 54.21 C ATOM 41 CG LYS A 3 -6.367 -7.971 12.864 1.00 14.13 C ATOM 42 CD LYS A 3 -4.881 -7.708 12.694 1.00 62.24 C ATOM 43 CE LYS A 3 -4.577 -7.073 11.345 1.00 15.33 C ATOM 44 NZ LYS A 3 -4.508 -8.088 10.256 1.00 22.44 N ATOM 0 H LYS A 3 -9.143 -9.463 12.929 1.00 2.12 H new ATOM 0 HA LYS A 3 -8.381 -8.677 15.608 1.00 4.51 H new ATOM 0 HB2 LYS A 3 -6.350 -7.514 14.952 1.00 54.21 H new ATOM 0 HB3 LYS A 3 -6.184 -9.221 14.589 1.00 54.21 H new ATOM 0 HG2 LYS A 3 -6.669 -8.791 12.213 1.00 14.13 H new ATOM 0 HG3 LYS A 3 -6.931 -7.092 12.552 1.00 14.13 H new ATOM 0 HD2 LYS A 3 -4.533 -7.053 13.492 1.00 62.24 H new ATOM 0 HD3 LYS A 3 -4.332 -8.645 12.788 1.00 62.24 H new ATOM 0 HE2 LYS A 3 -5.346 -6.338 11.108 1.00 15.33 H new ATOM 0 HE3 LYS A 3 -3.630 -6.536 11.402 1.00 15.33 H new ATOM 0 HZ1 LYS A 3 -4.299 -7.615 9.354 1.00 22.44 H new ATOM 0 HZ2 LYS A 3 -3.757 -8.775 10.469 1.00 22.44 H new ATOM 0 HZ3 LYS A 3 -5.420 -8.583 10.185 1.00 22.44 H new ATOM 58 N GLU A 4 -8.586 -6.116 14.691 1.00 10.01 N ATOM 59 CA GLU A 4 -9.234 -4.849 14.373 1.00 11.03 C ATOM 60 C GLU A 4 -8.306 -3.952 13.558 1.00 4.12 C ATOM 61 O GLU A 4 -7.120 -3.826 13.864 1.00 23.54 O ATOM 62 CB GLU A 4 -9.656 -4.131 15.657 1.00 32.25 C ATOM 63 CG GLU A 4 -10.896 -4.723 16.307 1.00 44.35 C ATOM 64 CD GLU A 4 -10.801 -4.760 17.820 1.00 10.22 C ATOM 65 OE1 GLU A 4 -11.025 -3.708 18.453 1.00 21.02 O ATOM 66 OE2 GLU A 4 -10.503 -5.840 18.369 1.00 33.11 O ATOM 0 H GLU A 4 -7.829 -6.045 15.371 1.00 10.01 H new ATOM 0 HA GLU A 4 -10.120 -5.063 13.776 1.00 11.03 H new ATOM 0 HB2 GLU A 4 -8.832 -4.164 16.369 1.00 32.25 H new ATOM 0 HB3 GLU A 4 -9.841 -3.081 15.432 1.00 32.25 H new ATOM 0 HG2 GLU A 4 -11.769 -4.138 16.016 1.00 44.35 H new ATOM 0 HG3 GLU A 4 -11.051 -5.735 15.932 1.00 44.35 H new ATOM 73 N ARG A 5 -8.854 -3.333 12.518 1.00 35.32 N ATOM 74 CA ARG A 5 -8.077 -2.450 11.658 1.00 54.33 C ATOM 75 C ARG A 5 -6.949 -3.215 10.972 1.00 62.14 C ATOM 76 O ARG A 5 -6.534 -4.287 11.413 1.00 12.24 O ATOM 77 CB ARG A 5 -7.499 -1.289 12.469 1.00 34.52 C ATOM 78 CG ARG A 5 -8.148 0.051 12.162 1.00 33.11 C ATOM 79 CD ARG A 5 -7.112 1.156 12.039 1.00 63.53 C ATOM 80 NE ARG A 5 -7.565 2.402 12.651 1.00 13.43 N ATOM 81 CZ ARG A 5 -6.774 3.448 12.866 1.00 63.42 C ATOM 82 NH1 ARG A 5 -5.494 3.395 12.521 1.00 33.33 N ATOM 83 NH2 ARG A 5 -7.261 4.546 13.427 1.00 62.12 N ATOM 0 H ARG A 5 -9.834 -3.427 12.251 1.00 35.32 H new ATOM 0 HA ARG A 5 -8.743 -2.052 10.892 1.00 54.33 H new ATOM 0 HB2 ARG A 5 -7.616 -1.505 13.531 1.00 34.52 H new ATOM 0 HB3 ARG A 5 -6.429 -1.218 12.274 1.00 34.52 H new ATOM 0 HG2 ARG A 5 -8.715 -0.022 11.234 1.00 33.11 H new ATOM 0 HG3 ARG A 5 -8.858 0.302 12.950 1.00 33.11 H new ATOM 0 HD2 ARG A 5 -6.183 0.837 12.512 1.00 63.53 H new ATOM 0 HD3 ARG A 5 -6.890 1.329 10.986 1.00 63.53 H new ATOM 0 HE ARG A 5 -8.544 2.474 12.929 1.00 13.43 H new ATOM 0 HH11 ARG A 5 -5.116 2.551 12.090 1.00 33.33 H new ATOM 0 HH12 ARG A 5 -4.888 4.198 12.686 1.00 33.33 H new ATOM 0 HH21 ARG A 5 -8.244 4.589 13.694 1.00 62.12 H new ATOM 0 HH22 ARG A 5 -6.652 5.348 13.591 1.00 62.12 H new ATOM 97 N PRO A 6 -6.440 -2.653 9.865 1.00 51.33 N ATOM 98 CA PRO A 6 -5.354 -3.265 9.094 1.00 61.32 C ATOM 99 C PRO A 6 -4.024 -3.233 9.840 1.00 1.12 C ATOM 100 O PRO A 6 -3.871 -2.552 10.854 1.00 20.04 O ATOM 101 CB PRO A 6 -5.281 -2.398 7.834 1.00 53.23 C ATOM 102 CG PRO A 6 -5.834 -1.079 8.249 1.00 23.10 C ATOM 103 CD PRO A 6 -6.886 -1.377 9.281 1.00 10.43 C ATOM 0 HA PRO A 6 -5.542 -4.320 8.892 1.00 61.32 H new ATOM 0 HB2 PRO A 6 -4.255 -2.303 7.478 1.00 53.23 H new ATOM 0 HB3 PRO A 6 -5.862 -2.832 7.020 1.00 53.23 H new ATOM 0 HG2 PRO A 6 -5.053 -0.441 8.661 1.00 23.10 H new ATOM 0 HG3 PRO A 6 -6.262 -0.550 7.397 1.00 23.10 H new ATOM 0 HD2 PRO A 6 -6.945 -0.590 10.033 1.00 10.43 H new ATOM 0 HD3 PRO A 6 -7.876 -1.465 8.832 1.00 10.43 H new ATOM 111 N PRO A 7 -3.039 -3.985 9.328 1.00 21.01 N ATOM 112 CA PRO A 7 -1.704 -4.059 9.930 1.00 23.34 C ATOM 113 C PRO A 7 -0.925 -2.757 9.773 1.00 33.50 C ATOM 114 O PRO A 7 -1.312 -1.860 9.024 1.00 54.22 O ATOM 115 CB PRO A 7 -1.025 -5.187 9.150 1.00 52.22 C ATOM 116 CG PRO A 7 -1.729 -5.218 7.839 1.00 12.51 C ATOM 117 CD PRO A 7 -3.152 -4.822 8.123 1.00 53.12 C ATOM 0 HA PRO A 7 -1.750 -4.234 11.005 1.00 23.34 H new ATOM 0 HB2 PRO A 7 0.040 -4.995 9.023 1.00 52.22 H new ATOM 0 HB3 PRO A 7 -1.117 -6.140 9.671 1.00 52.22 H new ATOM 0 HG2 PRO A 7 -1.266 -4.530 7.131 1.00 12.51 H new ATOM 0 HG3 PRO A 7 -1.682 -6.212 7.394 1.00 12.51 H new ATOM 0 HD2 PRO A 7 -3.589 -4.271 7.291 1.00 53.12 H new ATOM 0 HD3 PRO A 7 -3.784 -5.693 8.296 1.00 53.12 H new ATOM 125 N PRO A 8 0.201 -2.650 10.494 1.00 50.41 N ATOM 126 CA PRO A 8 1.059 -1.462 10.449 1.00 52.33 C ATOM 127 C PRO A 8 1.783 -1.319 9.114 1.00 65.24 C ATOM 128 O PRO A 8 1.689 -2.191 8.250 1.00 31.24 O ATOM 129 CB PRO A 8 2.063 -1.707 11.579 1.00 30.02 C ATOM 130 CG PRO A 8 2.107 -3.188 11.731 1.00 3.51 C ATOM 131 CD PRO A 8 0.724 -3.680 11.407 1.00 62.13 C ATOM 0 HA PRO A 8 0.486 -0.541 10.561 1.00 52.33 H new ATOM 0 HB2 PRO A 8 3.045 -1.305 11.330 1.00 30.02 H new ATOM 0 HB3 PRO A 8 1.745 -1.223 12.503 1.00 30.02 H new ATOM 0 HG2 PRO A 8 2.845 -3.627 11.059 1.00 3.51 H new ATOM 0 HG3 PRO A 8 2.393 -3.468 12.745 1.00 3.51 H new ATOM 0 HD2 PRO A 8 0.747 -4.662 10.934 1.00 62.13 H new ATOM 0 HD3 PRO A 8 0.110 -3.772 12.303 1.00 62.13 H new ATOM 139 N VAL A 9 2.507 -0.215 8.954 1.00 62.43 N ATOM 140 CA VAL A 9 3.249 0.040 7.725 1.00 22.40 C ATOM 141 C VAL A 9 4.178 -1.123 7.392 1.00 31.53 C ATOM 142 O VAL A 9 4.746 -1.768 8.274 1.00 0.10 O ATOM 143 CB VAL A 9 4.080 1.332 7.830 1.00 14.12 C ATOM 144 CG1 VAL A 9 3.192 2.555 7.653 1.00 73.10 C ATOM 145 CG2 VAL A 9 4.815 1.386 9.161 1.00 10.01 C ATOM 0 H VAL A 9 2.595 0.516 9.660 1.00 62.43 H new ATOM 0 HA VAL A 9 2.513 0.153 6.929 1.00 22.40 H new ATOM 0 HB VAL A 9 4.821 1.332 7.031 1.00 14.12 H new ATOM 0 HG11 VAL A 9 3.797 3.458 7.730 1.00 73.10 H new ATOM 0 HG12 VAL A 9 2.716 2.520 6.673 1.00 73.10 H new ATOM 0 HG13 VAL A 9 2.426 2.564 8.429 1.00 73.10 H new ATOM 0 HG21 VAL A 9 5.397 2.306 9.218 1.00 10.01 H new ATOM 0 HG22 VAL A 9 4.093 1.363 9.977 1.00 10.01 H new ATOM 0 HG23 VAL A 9 5.483 0.528 9.243 1.00 10.01 H new ATOM 155 N PRO A 10 4.336 -1.399 6.089 1.00 34.23 N ATOM 156 CA PRO A 10 5.196 -2.484 5.609 1.00 64.44 C ATOM 157 C PRO A 10 6.676 -2.190 5.828 1.00 74.05 C ATOM 158 O PRO A 10 7.411 -1.919 4.880 1.00 52.14 O ATOM 159 CB PRO A 10 4.880 -2.552 4.112 1.00 21.12 C ATOM 160 CG PRO A 10 4.402 -1.184 3.765 1.00 0.44 C ATOM 161 CD PRO A 10 3.689 -0.671 4.985 1.00 53.12 C ATOM 0 HA PRO A 10 5.010 -3.417 6.141 1.00 64.44 H new ATOM 0 HB2 PRO A 10 5.763 -2.822 3.533 1.00 21.12 H new ATOM 0 HB3 PRO A 10 4.119 -3.303 3.901 1.00 21.12 H new ATOM 0 HG2 PRO A 10 5.237 -0.535 3.499 1.00 0.44 H new ATOM 0 HG3 PRO A 10 3.733 -1.211 2.905 1.00 0.44 H new ATOM 0 HD2 PRO A 10 3.803 0.408 5.093 1.00 53.12 H new ATOM 0 HD3 PRO A 10 2.619 -0.876 4.941 1.00 53.12 H new ATOM 169 N ASN A 11 7.107 -2.247 7.084 1.00 61.43 N ATOM 170 CA ASN A 11 8.500 -1.988 7.428 1.00 44.44 C ATOM 171 C ASN A 11 9.067 -0.854 6.578 1.00 20.33 C ATOM 172 O ASN A 11 9.717 -1.075 5.556 1.00 30.11 O ATOM 173 CB ASN A 11 9.339 -3.253 7.233 1.00 64.20 C ATOM 174 CG ASN A 11 9.143 -3.873 5.863 1.00 3.43 C ATOM 175 OD1 ASN A 11 9.887 -3.581 4.926 1.00 34.31 O ATOM 176 ND2 ASN A 11 8.139 -4.732 5.740 1.00 61.50 N ATOM 0 H ASN A 11 6.511 -2.470 7.881 1.00 61.43 H new ATOM 0 HA ASN A 11 8.541 -1.690 8.476 1.00 44.44 H new ATOM 0 HB2 ASN A 11 10.393 -3.011 7.372 1.00 64.20 H new ATOM 0 HB3 ASN A 11 9.075 -3.982 7.999 1.00 64.20 H new ATOM 0 HD21 ASN A 11 7.958 -5.180 4.842 1.00 61.50 H new ATOM 0 HD22 ASN A 11 7.548 -4.944 6.544 1.00 61.50 H new ATOM 183 N PRO A 12 8.817 0.390 7.011 1.00 24.15 N ATOM 184 CA PRO A 12 9.294 1.584 6.308 1.00 23.22 C ATOM 185 C PRO A 12 10.807 1.749 6.406 1.00 40.21 C ATOM 186 O PRO A 12 11.393 1.564 7.472 1.00 5.31 O ATOM 187 CB PRO A 12 8.584 2.731 7.032 1.00 54.41 C ATOM 188 CG PRO A 12 8.300 2.201 8.395 1.00 61.52 C ATOM 189 CD PRO A 12 8.049 0.729 8.222 1.00 72.45 C ATOM 0 HA PRO A 12 9.081 1.539 5.240 1.00 23.22 H new ATOM 0 HB2 PRO A 12 9.213 3.620 7.076 1.00 54.41 H new ATOM 0 HB3 PRO A 12 7.665 3.015 6.518 1.00 54.41 H new ATOM 0 HG2 PRO A 12 9.141 2.377 9.065 1.00 61.52 H new ATOM 0 HG3 PRO A 12 7.433 2.696 8.834 1.00 61.52 H new ATOM 0 HD2 PRO A 12 8.390 0.159 9.086 1.00 72.45 H new ATOM 0 HD3 PRO A 12 6.988 0.515 8.097 1.00 72.45 H new ATOM 197 N ASP A 13 11.432 2.098 5.287 1.00 22.44 N ATOM 198 CA ASP A 13 12.878 2.290 5.248 1.00 54.25 C ATOM 199 C ASP A 13 13.236 3.571 4.499 1.00 70.23 C ATOM 200 O ASP A 13 13.969 3.539 3.510 1.00 72.15 O ATOM 201 CB ASP A 13 13.554 1.091 4.583 1.00 42.22 C ATOM 202 CG ASP A 13 15.064 1.130 4.717 1.00 41.24 C ATOM 203 OD1 ASP A 13 15.560 1.074 5.863 1.00 55.12 O ATOM 204 OD2 ASP A 13 15.750 1.215 3.678 1.00 14.30 O ATOM 0 H ASP A 13 10.961 2.254 4.396 1.00 22.44 H new ATOM 0 HA ASP A 13 13.236 2.378 6.274 1.00 54.25 H new ATOM 0 HB2 ASP A 13 13.176 0.171 5.029 1.00 42.22 H new ATOM 0 HB3 ASP A 13 13.286 1.066 3.527 1.00 42.22 H new ATOM 210 N TYR A 14 12.713 4.694 4.977 1.00 42.22 N ATOM 211 CA TYR A 14 12.976 5.984 4.352 1.00 32.34 C ATOM 212 C TYR A 14 13.900 6.834 5.219 1.00 72.03 C ATOM 213 O TYR A 14 14.520 7.784 4.741 1.00 34.32 O ATOM 214 CB TYR A 14 11.664 6.731 4.105 1.00 55.01 C ATOM 215 CG TYR A 14 10.727 6.720 5.292 1.00 1.00 C ATOM 216 CD1 TYR A 14 11.059 7.383 6.468 1.00 33.11 C ATOM 217 CD2 TYR A 14 9.514 6.047 5.239 1.00 61.54 C ATOM 218 CE1 TYR A 14 10.207 7.375 7.555 1.00 64.41 C ATOM 219 CE2 TYR A 14 8.655 6.035 6.322 1.00 70.02 C ATOM 220 CZ TYR A 14 9.007 6.700 7.478 1.00 51.02 C ATOM 221 OH TYR A 14 8.155 6.689 8.558 1.00 12.10 O ATOM 0 H TYR A 14 12.105 4.737 5.795 1.00 42.22 H new ATOM 0 HA TYR A 14 13.470 5.801 3.398 1.00 32.34 H new ATOM 0 HB2 TYR A 14 11.888 7.764 3.840 1.00 55.01 H new ATOM 0 HB3 TYR A 14 11.158 6.285 3.249 1.00 55.01 H new ATOM 0 HD1 TYR A 14 11.998 7.913 6.533 1.00 33.11 H new ATOM 0 HD2 TYR A 14 9.237 5.524 4.336 1.00 61.54 H new ATOM 0 HE1 TYR A 14 10.479 7.895 8.461 1.00 64.41 H new ATOM 0 HE2 TYR A 14 7.714 5.508 6.263 1.00 70.02 H new ATOM 0 HH TYR A 14 7.354 6.170 8.337 1.00 12.10 H new ATOM 231 N ASN A 15 13.989 6.482 6.498 1.00 53.20 N ATOM 232 CA ASN A 15 14.837 7.210 7.433 1.00 63.41 C ATOM 233 C ASN A 15 16.143 6.460 7.680 1.00 22.44 C ATOM 234 O ASN A 15 16.187 5.507 8.459 1.00 0.25 O ATOM 235 CB ASN A 15 14.104 7.427 8.757 1.00 32.53 C ATOM 236 CG ASN A 15 13.942 8.897 9.095 1.00 63.31 C ATOM 237 OD1 ASN A 15 14.204 9.319 10.222 1.00 13.12 O ATOM 238 ND2 ASN A 15 13.509 9.684 8.118 1.00 43.23 N ATOM 0 H ASN A 15 13.484 5.697 6.910 1.00 53.20 H new ATOM 0 HA ASN A 15 15.072 8.179 6.992 1.00 63.41 H new ATOM 0 HB2 ASN A 15 13.121 6.958 8.706 1.00 32.53 H new ATOM 0 HB3 ASN A 15 14.652 6.931 9.558 1.00 32.53 H new ATOM 0 HD21 ASN A 15 13.381 10.682 8.286 1.00 43.23 H new ATOM 0 HD22 ASN A 15 13.304 9.291 7.199 1.00 43.23 H new ATOM 245 N SER A 16 17.207 6.896 7.013 1.00 35.04 N ATOM 246 CA SER A 16 18.511 6.265 7.156 1.00 43.34 C ATOM 247 C SER A 16 19.445 7.132 7.998 1.00 54.04 C ATOM 248 O SER A 16 20.022 6.669 8.982 1.00 73.11 O ATOM 249 CB SER A 16 19.135 6.013 5.782 1.00 53.34 C ATOM 250 OG SER A 16 19.266 4.624 5.529 1.00 12.32 O ATOM 0 H SER A 16 17.190 7.685 6.367 1.00 35.04 H new ATOM 0 HA SER A 16 18.370 5.311 7.664 1.00 43.34 H new ATOM 0 HB2 SER A 16 18.517 6.470 5.009 1.00 53.34 H new ATOM 0 HB3 SER A 16 20.114 6.489 5.731 1.00 53.34 H new ATOM 0 HG SER A 16 19.665 4.489 4.644 1.00 12.32 H new ATOM 256 N LEU A 17 19.588 8.392 7.602 1.00 22.45 N ATOM 257 CA LEU A 17 20.450 9.325 8.320 1.00 71.22 C ATOM 258 C LEU A 17 19.947 10.757 8.169 1.00 34.13 C ATOM 259 O LEU A 17 19.113 11.047 7.310 1.00 72.42 O ATOM 260 CB LEU A 17 21.887 9.222 7.803 1.00 70.31 C ATOM 261 CG LEU A 17 22.742 8.113 8.419 1.00 31.02 C ATOM 262 CD1 LEU A 17 23.006 7.016 7.401 1.00 42.03 C ATOM 263 CD2 LEU A 17 24.051 8.681 8.946 1.00 72.44 C ATOM 0 H LEU A 17 19.119 8.791 6.789 1.00 22.45 H new ATOM 0 HA LEU A 17 20.429 9.061 9.377 1.00 71.22 H new ATOM 0 HB2 LEU A 17 21.854 9.072 6.724 1.00 70.31 H new ATOM 0 HB3 LEU A 17 22.384 10.176 7.977 1.00 70.31 H new ATOM 0 HG LEU A 17 22.194 7.679 9.256 1.00 31.02 H new ATOM 0 HD11 LEU A 17 23.616 6.236 7.857 1.00 42.03 H new ATOM 0 HD12 LEU A 17 22.058 6.590 7.071 1.00 42.03 H new ATOM 0 HD13 LEU A 17 23.534 7.434 6.544 1.00 42.03 H new ATOM 0 HD21 LEU A 17 24.647 7.879 9.381 1.00 72.44 H new ATOM 0 HD22 LEU A 17 24.604 9.141 8.127 1.00 72.44 H new ATOM 0 HD23 LEU A 17 23.841 9.431 9.708 1.00 72.44 H new ATOM 275 N LYS A 18 20.459 11.649 9.009 1.00 4.53 N ATOM 276 CA LYS A 18 20.064 13.052 8.969 1.00 4.43 C ATOM 277 C LYS A 18 20.949 13.840 8.008 1.00 11.31 C ATOM 278 O LYS A 18 22.106 13.486 7.782 1.00 63.12 O ATOM 279 CB LYS A 18 20.143 13.666 10.369 1.00 32.14 C ATOM 280 CG LYS A 18 18.791 13.809 11.048 1.00 51.54 C ATOM 281 CD LYS A 18 18.669 12.882 12.246 1.00 55.33 C ATOM 282 CE LYS A 18 18.975 13.609 13.546 1.00 72.10 C ATOM 283 NZ LYS A 18 17.890 13.430 14.549 1.00 62.33 N ATOM 0 H LYS A 18 21.149 11.426 9.726 1.00 4.53 H new ATOM 0 HA LYS A 18 19.035 13.103 8.613 1.00 4.43 H new ATOM 0 HB2 LYS A 18 20.789 13.048 10.992 1.00 32.14 H new ATOM 0 HB3 LYS A 18 20.611 14.648 10.300 1.00 32.14 H new ATOM 0 HG2 LYS A 18 18.651 14.841 11.369 1.00 51.54 H new ATOM 0 HG3 LYS A 18 17.998 13.588 10.333 1.00 51.54 H new ATOM 0 HD2 LYS A 18 17.661 12.469 12.287 1.00 55.33 H new ATOM 0 HD3 LYS A 18 19.353 12.041 12.128 1.00 55.33 H new ATOM 0 HE2 LYS A 18 19.914 13.239 13.957 1.00 72.10 H new ATOM 0 HE3 LYS A 18 19.112 14.671 13.345 1.00 72.10 H new ATOM 0 HZ1 LYS A 18 18.136 13.940 15.421 1.00 62.33 H new ATOM 0 HZ2 LYS A 18 16.999 13.806 14.167 1.00 62.33 H new ATOM 0 HZ3 LYS A 18 17.776 12.418 14.761 1.00 62.33 H new ATOM 297 N LYS A 19 20.398 14.909 7.443 1.00 54.21 N ATOM 298 CA LYS A 19 21.136 15.748 6.507 1.00 20.01 C ATOM 299 C LYS A 19 21.694 14.919 5.355 1.00 41.23 C ATOM 300 O LYS A 19 22.906 14.828 5.172 1.00 60.13 O ATOM 301 CB LYS A 19 22.278 16.468 7.228 1.00 4.03 C ATOM 302 CG LYS A 19 21.861 17.106 8.543 1.00 55.30 C ATOM 303 CD LYS A 19 22.865 18.150 9.000 1.00 43.25 C ATOM 304 CE LYS A 19 22.261 19.093 10.028 1.00 30.35 C ATOM 305 NZ LYS A 19 21.651 20.294 9.390 1.00 75.34 N ATOM 0 H LYS A 19 19.441 15.215 7.618 1.00 54.21 H new ATOM 0 HA LYS A 19 20.446 16.487 6.099 1.00 20.01 H new ATOM 0 HB2 LYS A 19 23.082 15.757 7.418 1.00 4.03 H new ATOM 0 HB3 LYS A 19 22.682 17.239 6.572 1.00 4.03 H new ATOM 0 HG2 LYS A 19 20.881 17.568 8.429 1.00 55.30 H new ATOM 0 HG3 LYS A 19 21.763 16.335 9.307 1.00 55.30 H new ATOM 0 HD2 LYS A 19 23.737 17.655 9.427 1.00 43.25 H new ATOM 0 HD3 LYS A 19 23.213 18.722 8.140 1.00 43.25 H new ATOM 0 HE2 LYS A 19 21.503 18.564 10.605 1.00 30.35 H new ATOM 0 HE3 LYS A 19 23.033 19.408 10.730 1.00 30.35 H new ATOM 0 HZ1 LYS A 19 21.250 20.912 10.125 1.00 75.34 H new ATOM 0 HZ2 LYS A 19 22.380 20.814 8.860 1.00 75.34 H new ATOM 0 HZ3 LYS A 19 20.897 19.996 8.739 1.00 75.34 H new ATOM 319 N GLY A 20 20.799 14.315 4.579 1.00 35.12 N ATOM 320 CA GLY A 20 21.219 13.502 3.454 1.00 71.53 C ATOM 321 C GLY A 20 21.762 14.332 2.308 1.00 3.43 C ATOM 322 O GLY A 20 22.578 13.856 1.519 1.00 14.04 O ATOM 0 H GLY A 20 19.789 14.375 4.710 1.00 35.12 H new ATOM 0 HA2 GLY A 20 21.984 12.799 3.784 1.00 71.53 H new ATOM 0 HA3 GLY A 20 20.374 12.911 3.102 1.00 71.53 H new ATOM 326 N SER A 21 21.310 15.579 2.218 1.00 54.31 N ATOM 327 CA SER A 21 21.750 16.476 1.157 1.00 4.34 C ATOM 328 C SER A 21 21.443 15.889 -0.217 1.00 60.44 C ATOM 329 O SER A 21 22.350 15.604 -1.000 1.00 71.12 O ATOM 330 CB SER A 21 23.251 16.750 1.284 1.00 12.44 C ATOM 331 OG SER A 21 23.637 16.854 2.642 1.00 61.53 O ATOM 0 H SER A 21 20.639 15.990 2.867 1.00 54.31 H new ATOM 0 HA SER A 21 21.205 17.414 1.260 1.00 4.34 H new ATOM 0 HB2 SER A 21 23.812 15.948 0.804 1.00 12.44 H new ATOM 0 HB3 SER A 21 23.501 17.672 0.760 1.00 12.44 H new ATOM 0 HG SER A 21 24.600 17.027 2.696 1.00 61.53 H new ATOM 337 N LEU A 22 20.159 15.709 -0.502 1.00 73.31 N ATOM 338 CA LEU A 22 19.730 15.154 -1.780 1.00 14.10 C ATOM 339 C LEU A 22 20.259 15.989 -2.942 1.00 53.01 C ATOM 340 O LEU A 22 20.911 17.013 -2.738 1.00 61.21 O ATOM 341 CB LEU A 22 18.202 15.084 -1.842 1.00 42.04 C ATOM 342 CG LEU A 22 17.570 13.783 -1.347 1.00 54.42 C ATOM 343 CD1 LEU A 22 17.230 13.883 0.132 1.00 50.43 C ATOM 344 CD2 LEU A 22 16.326 13.452 -2.160 1.00 70.32 C ATOM 0 H LEU A 22 19.396 15.939 0.135 1.00 73.31 H new ATOM 0 HA LEU A 22 20.138 14.147 -1.865 1.00 14.10 H new ATOM 0 HB2 LEU A 22 17.796 15.908 -1.255 1.00 42.04 H new ATOM 0 HB3 LEU A 22 17.892 15.245 -2.875 1.00 42.04 H new ATOM 0 HG LEU A 22 18.292 12.978 -1.479 1.00 54.42 H new ATOM 0 HD11 LEU A 22 16.781 12.948 0.466 1.00 50.43 H new ATOM 0 HD12 LEU A 22 18.139 14.073 0.702 1.00 50.43 H new ATOM 0 HD13 LEU A 22 16.526 14.700 0.289 1.00 50.43 H new ATOM 0 HD21 LEU A 22 15.889 12.523 -1.794 1.00 70.32 H new ATOM 0 HD22 LEU A 22 15.600 14.259 -2.059 1.00 70.32 H new ATOM 0 HD23 LEU A 22 16.597 13.337 -3.209 1.00 70.32 H new ATOM 356 N VAL A 23 19.971 15.547 -4.162 1.00 51.32 N ATOM 357 CA VAL A 23 20.415 16.255 -5.356 1.00 2.23 C ATOM 358 C VAL A 23 19.414 16.094 -6.495 1.00 43.44 C ATOM 359 O VAL A 23 18.323 15.556 -6.307 1.00 21.25 O ATOM 360 CB VAL A 23 21.795 15.755 -5.825 1.00 43.23 C ATOM 361 CG1 VAL A 23 22.809 15.848 -4.696 1.00 30.32 C ATOM 362 CG2 VAL A 23 21.695 14.330 -6.347 1.00 74.44 C ATOM 0 H VAL A 23 19.432 14.702 -4.349 1.00 51.32 H new ATOM 0 HA VAL A 23 20.490 17.309 -5.089 1.00 2.23 H new ATOM 0 HB VAL A 23 22.136 16.393 -6.640 1.00 43.23 H new ATOM 0 HG11 VAL A 23 23.777 15.491 -5.046 1.00 30.32 H new ATOM 0 HG12 VAL A 23 22.900 16.885 -4.373 1.00 30.32 H new ATOM 0 HG13 VAL A 23 22.478 15.235 -3.858 1.00 30.32 H new ATOM 0 HG21 VAL A 23 22.678 13.992 -6.674 1.00 74.44 H new ATOM 0 HG22 VAL A 23 21.332 13.676 -5.554 1.00 74.44 H new ATOM 0 HG23 VAL A 23 21.002 14.298 -7.188 1.00 74.44 H new ATOM 372 N LYS A 24 19.794 16.562 -7.679 1.00 73.20 N ATOM 373 CA LYS A 24 18.931 16.469 -8.852 1.00 31.54 C ATOM 374 C LYS A 24 19.363 15.317 -9.754 1.00 14.32 C ATOM 375 O LYS A 24 20.551 15.025 -9.878 1.00 32.51 O ATOM 376 CB LYS A 24 18.957 17.783 -9.635 1.00 44.32 C ATOM 377 CG LYS A 24 17.908 18.783 -9.182 1.00 62.33 C ATOM 378 CD LYS A 24 18.414 20.212 -9.293 1.00 0.42 C ATOM 379 CE LYS A 24 17.959 21.057 -8.113 1.00 14.31 C ATOM 380 NZ LYS A 24 16.846 21.974 -8.485 1.00 41.10 N ATOM 0 H LYS A 24 20.694 17.010 -7.852 1.00 73.20 H new ATOM 0 HA LYS A 24 17.914 16.278 -8.511 1.00 31.54 H new ATOM 0 HB2 LYS A 24 19.944 18.235 -9.537 1.00 44.32 H new ATOM 0 HB3 LYS A 24 18.809 17.568 -10.693 1.00 44.32 H new ATOM 0 HG2 LYS A 24 17.008 18.667 -9.786 1.00 62.33 H new ATOM 0 HG3 LYS A 24 17.627 18.575 -8.150 1.00 62.33 H new ATOM 0 HD2 LYS A 24 19.503 20.211 -9.343 1.00 0.42 H new ATOM 0 HD3 LYS A 24 18.053 20.656 -10.221 1.00 0.42 H new ATOM 0 HE2 LYS A 24 17.636 20.404 -7.302 1.00 14.31 H new ATOM 0 HE3 LYS A 24 18.800 21.640 -7.738 1.00 14.31 H new ATOM 0 HZ1 LYS A 24 16.564 22.533 -7.654 1.00 41.10 H new ATOM 0 HZ2 LYS A 24 17.162 22.614 -9.242 1.00 41.10 H new ATOM 0 HZ3 LYS A 24 16.034 21.417 -8.819 1.00 41.10 H new ATOM 394 N ASN A 25 18.388 14.669 -10.384 1.00 61.14 N ATOM 395 CA ASN A 25 18.668 13.550 -11.276 1.00 41.42 C ATOM 396 C ASN A 25 17.500 13.308 -12.229 1.00 5.02 C ATOM 397 O ASN A 25 16.376 13.740 -11.972 1.00 31.23 O ATOM 398 CB ASN A 25 18.949 12.282 -10.467 1.00 33.14 C ATOM 399 CG ASN A 25 17.926 12.058 -9.369 1.00 22.03 C ATOM 400 OD1 ASN A 25 16.754 11.801 -9.641 1.00 74.23 O ATOM 401 ND2 ASN A 25 18.368 12.158 -8.120 1.00 51.20 N ATOM 0 H ASN A 25 17.399 14.899 -10.293 1.00 61.14 H new ATOM 0 HA ASN A 25 19.550 13.801 -11.865 1.00 41.42 H new ATOM 0 HB2 ASN A 25 18.955 11.421 -11.136 1.00 33.14 H new ATOM 0 HB3 ASN A 25 19.943 12.349 -10.025 1.00 33.14 H new ATOM 0 HD21 ASN A 25 17.726 12.020 -7.339 1.00 51.20 H new ATOM 0 HD22 ASN A 25 19.349 12.373 -7.942 1.00 51.20 H new ATOM 408 N LEU A 26 17.775 12.618 -13.330 1.00 22.34 N ATOM 409 CA LEU A 26 16.748 12.319 -14.323 1.00 25.33 C ATOM 410 C LEU A 26 15.721 11.341 -13.763 1.00 15.31 C ATOM 411 O LEU A 26 14.516 11.593 -13.815 1.00 53.30 O ATOM 412 CB LEU A 26 17.386 11.739 -15.586 1.00 31.14 C ATOM 413 CG LEU A 26 17.876 12.756 -16.617 1.00 32.04 C ATOM 414 CD1 LEU A 26 19.333 12.500 -16.970 1.00 32.42 C ATOM 415 CD2 LEU A 26 17.007 12.711 -17.865 1.00 42.41 C ATOM 0 H LEU A 26 18.700 12.255 -13.558 1.00 22.34 H new ATOM 0 HA LEU A 26 16.238 13.249 -14.576 1.00 25.33 H new ATOM 0 HB2 LEU A 26 18.230 11.116 -15.290 1.00 31.14 H new ATOM 0 HB3 LEU A 26 16.660 11.084 -16.068 1.00 31.14 H new ATOM 0 HG LEU A 26 17.799 13.752 -16.181 1.00 32.04 H new ATOM 0 HD11 LEU A 26 19.664 13.234 -17.705 1.00 32.42 H new ATOM 0 HD12 LEU A 26 19.945 12.585 -16.072 1.00 32.42 H new ATOM 0 HD13 LEU A 26 19.436 11.498 -17.386 1.00 32.42 H new ATOM 0 HD21 LEU A 26 17.370 13.441 -18.588 1.00 42.41 H new ATOM 0 HD22 LEU A 26 17.051 11.714 -18.303 1.00 42.41 H new ATOM 0 HD23 LEU A 26 15.976 12.945 -17.599 1.00 42.41 H new ATOM 427 N HIS A 27 16.202 10.225 -13.227 1.00 62.03 N ATOM 428 CA HIS A 27 15.326 9.210 -12.656 1.00 34.23 C ATOM 429 C HIS A 27 14.353 8.678 -13.704 1.00 42.41 C ATOM 430 O HIS A 27 14.441 9.030 -14.881 1.00 31.23 O ATOM 431 CB HIS A 27 14.550 9.784 -11.469 1.00 4.53 C ATOM 432 CG HIS A 27 14.871 9.119 -10.166 1.00 13.32 C ATOM 433 ND1 HIS A 27 14.897 9.795 -8.963 1.00 54.44 N ATOM 434 CD2 HIS A 27 15.177 7.832 -9.881 1.00 1.21 C ATOM 435 CE1 HIS A 27 15.207 8.953 -7.995 1.00 62.44 C ATOM 436 NE2 HIS A 27 15.383 7.754 -8.525 1.00 13.15 N ATOM 0 H HIS A 27 17.196 10.000 -13.176 1.00 62.03 H new ATOM 0 HA HIS A 27 15.947 8.384 -12.310 1.00 34.23 H new ATOM 0 HB2 HIS A 27 14.764 10.849 -11.386 1.00 4.53 H new ATOM 0 HB3 HIS A 27 13.482 9.688 -11.663 1.00 4.53 H new ATOM 0 HD2 HIS A 27 15.246 7.018 -10.588 1.00 1.21 H new ATOM 0 HE1 HIS A 27 15.301 9.201 -6.948 1.00 62.44 H new ATOM 0 HE2 HIS A 27 15.631 6.909 -8.011 1.00 13.15 H new ATOM 445 N MET A 28 13.429 7.829 -13.271 1.00 33.32 N ATOM 446 CA MET A 28 12.440 7.250 -14.173 1.00 33.24 C ATOM 447 C MET A 28 11.195 8.126 -14.250 1.00 13.42 C ATOM 448 O MET A 28 10.376 8.147 -13.330 1.00 64.30 O ATOM 449 CB MET A 28 12.059 5.842 -13.711 1.00 20.31 C ATOM 450 CG MET A 28 12.294 4.771 -14.763 1.00 30.34 C ATOM 451 SD MET A 28 13.828 3.861 -14.498 1.00 23.43 S ATOM 452 CE MET A 28 15.017 4.981 -15.234 1.00 15.02 C ATOM 0 H MET A 28 13.344 7.526 -12.301 1.00 33.32 H new ATOM 0 HA MET A 28 12.883 7.191 -15.167 1.00 33.24 H new ATOM 0 HB2 MET A 28 12.633 5.594 -12.818 1.00 20.31 H new ATOM 0 HB3 MET A 28 11.007 5.835 -13.426 1.00 20.31 H new ATOM 0 HG2 MET A 28 11.457 4.073 -14.759 1.00 30.34 H new ATOM 0 HG3 MET A 28 12.317 5.235 -15.749 1.00 30.34 H new ATOM 0 HE1 MET A 28 16.018 4.557 -15.149 1.00 15.02 H new ATOM 0 HE2 MET A 28 14.774 5.129 -16.286 1.00 15.02 H new ATOM 0 HE3 MET A 28 14.984 5.939 -14.716 1.00 15.02 H new ATOM 462 N THR A 29 11.056 8.854 -15.355 1.00 34.24 N ATOM 463 CA THR A 29 9.911 9.734 -15.552 1.00 45.31 C ATOM 464 C THR A 29 8.844 9.065 -16.411 1.00 73.42 C ATOM 465 O THR A 29 9.095 8.706 -17.561 1.00 24.53 O ATOM 466 CB THR A 29 10.331 11.060 -16.215 1.00 15.32 C ATOM 467 OG1 THR A 29 11.699 10.989 -16.631 1.00 71.22 O ATOM 468 CG2 THR A 29 10.146 12.227 -15.256 1.00 63.54 C ATOM 0 H THR A 29 11.723 8.851 -16.127 1.00 34.24 H new ATOM 0 HA THR A 29 9.499 9.943 -14.565 1.00 45.31 H new ATOM 0 HB THR A 29 9.696 11.222 -17.086 1.00 15.32 H new ATOM 0 HG1 THR A 29 11.957 11.835 -17.053 1.00 71.22 H new ATOM 0 HG21 THR A 29 10.449 13.152 -15.746 1.00 63.54 H new ATOM 0 HG22 THR A 29 9.098 12.297 -14.966 1.00 63.54 H new ATOM 0 HG23 THR A 29 10.759 12.069 -14.368 1.00 63.54 H new ATOM 476 N GLU A 30 7.652 8.901 -15.844 1.00 5.22 N ATOM 477 CA GLU A 30 6.547 8.274 -16.559 1.00 65.22 C ATOM 478 C GLU A 30 5.230 8.976 -16.248 1.00 34.34 C ATOM 479 O GLU A 30 5.215 10.059 -15.660 1.00 51.24 O ATOM 480 CB GLU A 30 6.448 6.792 -16.192 1.00 40.10 C ATOM 481 CG GLU A 30 7.780 6.061 -16.241 1.00 13.35 C ATOM 482 CD GLU A 30 8.439 5.959 -14.880 1.00 61.13 C ATOM 483 OE1 GLU A 30 8.199 6.848 -14.036 1.00 34.30 O ATOM 484 OE2 GLU A 30 9.198 4.991 -14.658 1.00 35.24 O ATOM 0 H GLU A 30 7.428 9.193 -14.893 1.00 5.22 H new ATOM 0 HA GLU A 30 6.742 8.363 -17.628 1.00 65.22 H new ATOM 0 HB2 GLU A 30 6.031 6.702 -15.189 1.00 40.10 H new ATOM 0 HB3 GLU A 30 5.750 6.304 -16.872 1.00 40.10 H new ATOM 0 HG2 GLU A 30 7.626 5.059 -16.642 1.00 13.35 H new ATOM 0 HG3 GLU A 30 8.450 6.579 -16.927 1.00 13.35 H new ATOM 491 N GLU A 31 4.125 8.353 -16.643 1.00 50.45 N ATOM 492 CA GLU A 31 2.801 8.919 -16.407 1.00 5.12 C ATOM 493 C GLU A 31 1.883 7.896 -15.746 1.00 34.14 C ATOM 494 O GLU A 31 0.900 7.452 -16.341 1.00 71.40 O ATOM 495 CB GLU A 31 2.185 9.399 -17.723 1.00 22.31 C ATOM 496 CG GLU A 31 3.142 10.206 -18.584 1.00 40.34 C ATOM 497 CD GLU A 31 2.543 10.583 -19.925 1.00 44.34 C ATOM 498 OE1 GLU A 31 1.496 11.261 -19.939 1.00 54.32 O ATOM 499 OE2 GLU A 31 3.124 10.198 -20.961 1.00 41.50 O ATOM 0 H GLU A 31 4.119 7.456 -17.128 1.00 50.45 H new ATOM 0 HA GLU A 31 2.912 9.770 -15.735 1.00 5.12 H new ATOM 0 HB2 GLU A 31 1.841 8.534 -18.290 1.00 22.31 H new ATOM 0 HB3 GLU A 31 1.307 10.006 -17.503 1.00 22.31 H new ATOM 0 HG2 GLU A 31 3.429 11.112 -18.051 1.00 40.34 H new ATOM 0 HG3 GLU A 31 4.053 9.630 -18.746 1.00 40.34 H new ATOM 506 N VAL A 32 2.208 7.527 -14.511 1.00 40.34 N ATOM 507 CA VAL A 32 1.414 6.557 -13.767 1.00 53.23 C ATOM 508 C VAL A 32 0.654 7.227 -12.628 1.00 22.10 C ATOM 509 O VAL A 32 1.050 8.289 -12.145 1.00 44.02 O ATOM 510 CB VAL A 32 2.294 5.432 -13.193 1.00 62.31 C ATOM 511 CG1 VAL A 32 1.431 4.291 -12.674 1.00 4.23 C ATOM 512 CG2 VAL A 32 3.275 4.934 -14.243 1.00 5.02 C ATOM 0 H VAL A 32 3.017 7.886 -14.004 1.00 40.34 H new ATOM 0 HA VAL A 32 0.702 6.126 -14.470 1.00 53.23 H new ATOM 0 HB VAL A 32 2.866 5.833 -12.356 1.00 62.31 H new ATOM 0 HG11 VAL A 32 2.070 3.505 -12.272 1.00 4.23 H new ATOM 0 HG12 VAL A 32 0.773 4.661 -11.888 1.00 4.23 H new ATOM 0 HG13 VAL A 32 0.831 3.889 -13.490 1.00 4.23 H new ATOM 0 HG21 VAL A 32 3.889 4.139 -13.819 1.00 5.02 H new ATOM 0 HG22 VAL A 32 2.725 4.549 -15.102 1.00 5.02 H new ATOM 0 HG23 VAL A 32 3.916 5.756 -14.561 1.00 5.02 H new ATOM 522 N ILE A 33 -0.436 6.601 -12.201 1.00 70.50 N ATOM 523 CA ILE A 33 -1.251 7.136 -11.117 1.00 64.35 C ATOM 524 C ILE A 33 -1.699 6.029 -10.169 1.00 34.33 C ATOM 525 O ILE A 33 -2.125 4.958 -10.604 1.00 4.21 O ATOM 526 CB ILE A 33 -2.491 7.871 -11.654 1.00 2.35 C ATOM 527 CG1 ILE A 33 -2.081 9.176 -12.340 1.00 22.31 C ATOM 528 CG2 ILE A 33 -3.473 8.147 -10.525 1.00 75.01 C ATOM 529 CD1 ILE A 33 -3.230 9.890 -13.017 1.00 41.44 C ATOM 0 H ILE A 33 -0.776 5.721 -12.589 1.00 70.50 H new ATOM 0 HA ILE A 33 -0.627 7.846 -10.574 1.00 64.35 H new ATOM 0 HB ILE A 33 -2.982 7.234 -12.390 1.00 2.35 H new ATOM 0 HG12 ILE A 33 -1.636 9.841 -11.600 1.00 22.31 H new ATOM 0 HG13 ILE A 33 -1.311 8.961 -13.080 1.00 22.31 H new ATOM 0 HG21 ILE A 33 -4.345 8.668 -10.921 1.00 75.01 H new ATOM 0 HG22 ILE A 33 -3.786 7.204 -10.076 1.00 75.01 H new ATOM 0 HG23 ILE A 33 -2.993 8.767 -9.768 1.00 75.01 H new ATOM 0 HD11 ILE A 33 -2.866 10.806 -13.482 1.00 41.44 H new ATOM 0 HD12 ILE A 33 -3.662 9.243 -13.780 1.00 41.44 H new ATOM 0 HD13 ILE A 33 -3.992 10.136 -12.277 1.00 41.44 H new ATOM 541 N VAL A 34 -1.603 6.294 -8.870 1.00 35.43 N ATOM 542 CA VAL A 34 -2.003 5.322 -7.859 1.00 74.03 C ATOM 543 C VAL A 34 -3.284 5.754 -7.156 1.00 5.44 C ATOM 544 O VAL A 34 -3.800 6.847 -7.401 1.00 64.33 O ATOM 545 CB VAL A 34 -0.896 5.119 -6.808 1.00 74.45 C ATOM 546 CG1 VAL A 34 -1.072 6.092 -5.652 1.00 61.04 C ATOM 547 CG2 VAL A 34 -0.893 3.681 -6.309 1.00 73.23 C ATOM 0 H VAL A 34 -1.252 7.174 -8.493 1.00 35.43 H new ATOM 0 HA VAL A 34 -2.179 4.380 -8.378 1.00 74.03 H new ATOM 0 HB VAL A 34 0.067 5.319 -7.277 1.00 74.45 H new ATOM 0 HG11 VAL A 34 -0.281 5.934 -4.919 1.00 61.04 H new ATOM 0 HG12 VAL A 34 -1.021 7.115 -6.026 1.00 61.04 H new ATOM 0 HG13 VAL A 34 -2.041 5.926 -5.181 1.00 61.04 H new ATOM 0 HG21 VAL A 34 -0.105 3.555 -5.567 1.00 73.23 H new ATOM 0 HG22 VAL A 34 -1.858 3.451 -5.856 1.00 73.23 H new ATOM 0 HG23 VAL A 34 -0.715 3.006 -7.146 1.00 73.23 H new ATOM 557 N ILE A 35 -3.792 4.894 -6.282 1.00 24.42 N ATOM 558 CA ILE A 35 -5.013 5.190 -5.541 1.00 61.05 C ATOM 559 C ILE A 35 -4.921 4.682 -4.106 1.00 60.52 C ATOM 560 O ILE A 35 -4.694 3.495 -3.869 1.00 1.43 O ATOM 561 CB ILE A 35 -6.247 4.562 -6.217 1.00 1.53 C ATOM 562 CG1 ILE A 35 -6.385 5.077 -7.651 1.00 22.31 C ATOM 563 CG2 ILE A 35 -7.502 4.869 -5.415 1.00 21.43 C ATOM 564 CD1 ILE A 35 -7.574 4.498 -8.387 1.00 13.14 C ATOM 0 H ILE A 35 -3.378 3.986 -6.069 1.00 24.42 H new ATOM 0 HA ILE A 35 -5.124 6.274 -5.534 1.00 61.05 H new ATOM 0 HB ILE A 35 -6.116 3.480 -6.250 1.00 1.53 H new ATOM 0 HG12 ILE A 35 -6.473 6.163 -7.632 1.00 22.31 H new ATOM 0 HG13 ILE A 35 -5.475 4.841 -8.203 1.00 22.31 H new ATOM 0 HG21 ILE A 35 -8.366 4.419 -5.905 1.00 21.43 H new ATOM 0 HG22 ILE A 35 -7.401 4.460 -4.410 1.00 21.43 H new ATOM 0 HG23 ILE A 35 -7.640 5.949 -5.355 1.00 21.43 H new ATOM 0 HD11 ILE A 35 -7.611 4.906 -9.397 1.00 13.14 H new ATOM 0 HD12 ILE A 35 -7.478 3.413 -8.437 1.00 13.14 H new ATOM 0 HD13 ILE A 35 -8.491 4.757 -7.857 1.00 13.14 H new ATOM 576 N ALA A 36 -5.100 5.589 -3.150 1.00 51.12 N ATOM 577 CA ALA A 36 -5.041 5.234 -1.738 1.00 74.42 C ATOM 578 C ALA A 36 -6.278 4.447 -1.318 1.00 54.50 C ATOM 579 O ALA A 36 -7.394 4.966 -1.339 1.00 32.34 O ATOM 580 CB ALA A 36 -4.894 6.484 -0.885 1.00 12.02 C ATOM 0 H ALA A 36 -5.287 6.576 -3.329 1.00 51.12 H new ATOM 0 HA ALA A 36 -4.169 4.599 -1.585 1.00 74.42 H new ATOM 0 HB1 ALA A 36 -4.851 6.203 0.167 1.00 12.02 H new ATOM 0 HB2 ALA A 36 -3.977 7.006 -1.159 1.00 12.02 H new ATOM 0 HB3 ALA A 36 -5.748 7.140 -1.051 1.00 12.02 H new ATOM 586 N LYS A 37 -6.075 3.190 -0.939 1.00 43.54 N ATOM 587 CA LYS A 37 -7.172 2.329 -0.513 1.00 10.32 C ATOM 588 C LYS A 37 -7.883 2.917 0.702 1.00 75.13 C ATOM 589 O LYS A 37 -9.087 2.731 0.877 1.00 0.35 O ATOM 590 CB LYS A 37 -6.653 0.928 -0.186 1.00 32.10 C ATOM 591 CG LYS A 37 -5.719 0.364 -1.243 1.00 72.41 C ATOM 592 CD LYS A 37 -5.544 -1.138 -1.088 1.00 43.20 C ATOM 593 CE LYS A 37 -4.114 -1.497 -0.716 1.00 30.51 C ATOM 594 NZ LYS A 37 -4.046 -2.758 0.075 1.00 35.21 N ATOM 0 H LYS A 37 -5.158 2.744 -0.918 1.00 43.54 H new ATOM 0 HA LYS A 37 -7.887 2.261 -1.333 1.00 10.32 H new ATOM 0 HB2 LYS A 37 -6.131 0.957 0.770 1.00 32.10 H new ATOM 0 HB3 LYS A 37 -7.501 0.254 -0.066 1.00 32.10 H new ATOM 0 HG2 LYS A 37 -6.114 0.585 -2.234 1.00 72.41 H new ATOM 0 HG3 LYS A 37 -4.748 0.854 -1.171 1.00 72.41 H new ATOM 0 HD2 LYS A 37 -6.224 -1.507 -0.321 1.00 43.20 H new ATOM 0 HD3 LYS A 37 -5.814 -1.635 -2.020 1.00 43.20 H new ATOM 0 HE2 LYS A 37 -3.519 -1.605 -1.623 1.00 30.51 H new ATOM 0 HE3 LYS A 37 -3.673 -0.683 -0.140 1.00 30.51 H new ATOM 0 HZ1 LYS A 37 -3.455 -2.608 0.918 1.00 35.21 H new ATOM 0 HZ2 LYS A 37 -5.004 -3.036 0.369 1.00 35.21 H new ATOM 0 HZ3 LYS A 37 -3.631 -3.512 -0.509 1.00 35.21 H new ATOM 608 N TRP A 38 -7.131 3.624 1.537 1.00 43.42 N ATOM 609 CA TRP A 38 -7.690 4.239 2.735 1.00 0.11 C ATOM 610 C TRP A 38 -6.985 5.553 3.053 1.00 71.04 C ATOM 611 O TRP A 38 -6.219 6.069 2.239 1.00 21.32 O ATOM 612 CB TRP A 38 -7.576 3.284 3.924 1.00 13.41 C ATOM 613 CG TRP A 38 -7.272 1.872 3.525 1.00 42.05 C ATOM 614 CD1 TRP A 38 -6.039 1.288 3.456 1.00 62.20 C ATOM 615 CD2 TRP A 38 -8.216 0.868 3.138 1.00 74.15 C ATOM 616 NE1 TRP A 38 -6.161 -0.019 3.049 1.00 64.14 N ATOM 617 CE2 TRP A 38 -7.485 -0.302 2.848 1.00 23.42 C ATOM 618 CE3 TRP A 38 -9.607 0.841 3.010 1.00 32.34 C ATOM 619 CZ2 TRP A 38 -8.100 -1.482 2.438 1.00 30.53 C ATOM 620 CZ3 TRP A 38 -10.216 -0.331 2.603 1.00 12.43 C ATOM 621 CH2 TRP A 38 -9.464 -1.479 2.321 1.00 31.43 C ATOM 0 H TRP A 38 -6.132 3.786 1.407 1.00 43.42 H new ATOM 0 HA TRP A 38 -8.743 4.450 2.547 1.00 0.11 H new ATOM 0 HB2 TRP A 38 -6.794 3.641 4.594 1.00 13.41 H new ATOM 0 HB3 TRP A 38 -8.510 3.302 4.486 1.00 13.41 H new ATOM 0 HD1 TRP A 38 -5.106 1.781 3.687 1.00 62.20 H new ATOM 0 HE1 TRP A 38 -5.389 -0.673 2.918 1.00 64.14 H new ATOM 0 HE3 TRP A 38 -10.196 1.720 3.225 1.00 32.34 H new ATOM 0 HZ2 TRP A 38 -7.522 -2.368 2.220 1.00 30.53 H new ATOM 0 HZ3 TRP A 38 -11.291 -0.362 2.501 1.00 12.43 H new ATOM 0 HH2 TRP A 38 -9.970 -2.379 2.005 1.00 31.43 H new ATOM 632 N ASP A 39 -7.249 6.088 4.239 1.00 21.14 N ATOM 633 CA ASP A 39 -6.636 7.343 4.665 1.00 14.11 C ATOM 634 C ASP A 39 -5.538 7.089 5.692 1.00 11.04 C ATOM 635 O ASP A 39 -5.739 6.362 6.665 1.00 52.14 O ATOM 636 CB ASP A 39 -7.695 8.277 5.251 1.00 51.31 C ATOM 637 CG ASP A 39 -8.763 7.531 6.025 1.00 75.31 C ATOM 638 OD1 ASP A 39 -9.959 7.705 5.707 1.00 24.33 O ATOM 639 OD2 ASP A 39 -8.405 6.769 6.948 1.00 52.53 O ATOM 0 H ASP A 39 -7.882 5.674 4.923 1.00 21.14 H new ATOM 0 HA ASP A 39 -6.188 7.817 3.792 1.00 14.11 H new ATOM 0 HB2 ASP A 39 -7.213 9.000 5.909 1.00 51.31 H new ATOM 0 HB3 ASP A 39 -8.163 8.842 4.445 1.00 51.31 H new ATOM 645 N TYR A 40 -4.376 7.694 5.469 1.00 20.31 N ATOM 646 CA TYR A 40 -3.244 7.532 6.373 1.00 62.23 C ATOM 647 C TYR A 40 -2.724 8.887 6.844 1.00 33.02 C ATOM 648 O TYR A 40 -2.740 9.865 6.097 1.00 34.24 O ATOM 649 CB TYR A 40 -2.122 6.753 5.684 1.00 25.35 C ATOM 650 CG TYR A 40 -1.314 5.893 6.629 1.00 24.50 C ATOM 651 CD1 TYR A 40 -1.935 4.979 7.473 1.00 72.43 C ATOM 652 CD2 TYR A 40 0.071 5.992 6.679 1.00 35.14 C ATOM 653 CE1 TYR A 40 -1.201 4.191 8.338 1.00 73.22 C ATOM 654 CE2 TYR A 40 0.814 5.208 7.541 1.00 14.20 C ATOM 655 CZ TYR A 40 0.172 4.309 8.367 1.00 65.44 C ATOM 656 OH TYR A 40 0.908 3.525 9.227 1.00 65.23 O ATOM 0 H TYR A 40 -4.194 8.301 4.670 1.00 20.31 H new ATOM 0 HA TYR A 40 -3.584 6.972 7.244 1.00 62.23 H new ATOM 0 HB2 TYR A 40 -2.554 6.120 4.909 1.00 25.35 H new ATOM 0 HB3 TYR A 40 -1.455 7.457 5.186 1.00 25.35 H new ATOM 0 HD1 TYR A 40 -3.011 4.883 7.452 1.00 72.43 H new ATOM 0 HD2 TYR A 40 0.576 6.694 6.032 1.00 35.14 H new ATOM 0 HE1 TYR A 40 -1.700 3.487 8.988 1.00 73.22 H new ATOM 0 HE2 TYR A 40 1.890 5.299 7.568 1.00 14.20 H new ATOM 0 HH TYR A 40 0.603 2.596 9.165 1.00 65.23 H new ATOM 666 N THR A 41 -2.261 8.936 8.090 1.00 73.24 N ATOM 667 CA THR A 41 -1.736 10.168 8.662 1.00 12.34 C ATOM 668 C THR A 41 -0.215 10.213 8.572 1.00 42.20 C ATOM 669 O THR A 41 0.468 9.278 8.987 1.00 61.24 O ATOM 670 CB THR A 41 -2.157 10.328 10.135 1.00 10.42 C ATOM 671 OG1 THR A 41 -3.481 9.819 10.324 1.00 70.41 O ATOM 672 CG2 THR A 41 -2.105 11.790 10.557 1.00 75.34 C ATOM 0 H THR A 41 -2.240 8.135 8.722 1.00 73.24 H new ATOM 0 HA THR A 41 -2.155 10.989 8.081 1.00 12.34 H new ATOM 0 HB THR A 41 -1.459 9.763 10.753 1.00 10.42 H new ATOM 0 HG1 THR A 41 -3.740 9.923 11.263 1.00 70.41 H new ATOM 0 HG21 THR A 41 -2.406 11.878 11.601 1.00 75.34 H new ATOM 0 HG22 THR A 41 -1.089 12.167 10.440 1.00 75.34 H new ATOM 0 HG23 THR A 41 -2.782 12.373 9.933 1.00 75.34 H new ATOM 680 N ALA A 42 0.310 11.306 8.027 1.00 72.31 N ATOM 681 CA ALA A 42 1.750 11.473 7.886 1.00 54.34 C ATOM 682 C ALA A 42 2.455 11.326 9.230 1.00 24.23 C ATOM 683 O ALA A 42 2.470 12.257 10.036 1.00 73.33 O ATOM 684 CB ALA A 42 2.067 12.826 7.266 1.00 33.10 C ATOM 0 H ALA A 42 -0.242 12.089 7.676 1.00 72.31 H new ATOM 0 HA ALA A 42 2.118 10.688 7.225 1.00 54.34 H new ATOM 0 HB1 ALA A 42 3.147 12.937 7.167 1.00 33.10 H new ATOM 0 HB2 ALA A 42 1.603 12.893 6.282 1.00 33.10 H new ATOM 0 HB3 ALA A 42 1.678 13.619 7.905 1.00 33.10 H new ATOM 690 N GLN A 43 3.036 10.155 9.464 1.00 53.23 N ATOM 691 CA GLN A 43 3.740 9.887 10.712 1.00 54.21 C ATOM 692 C GLN A 43 4.918 10.839 10.887 1.00 31.24 C ATOM 693 O GLN A 43 5.294 11.176 12.009 1.00 31.04 O ATOM 694 CB GLN A 43 4.230 8.439 10.746 1.00 75.52 C ATOM 695 CG GLN A 43 4.955 8.012 9.479 1.00 75.20 C ATOM 696 CD GLN A 43 4.178 6.983 8.681 1.00 30.32 C ATOM 697 OE1 GLN A 43 4.133 5.807 9.041 1.00 51.24 O ATOM 698 NE2 GLN A 43 3.561 7.422 7.591 1.00 45.33 N ATOM 0 H GLN A 43 3.033 9.376 8.806 1.00 53.23 H new ATOM 0 HA GLN A 43 3.042 10.046 11.534 1.00 54.21 H new ATOM 0 HB2 GLN A 43 4.898 8.310 11.598 1.00 75.52 H new ATOM 0 HB3 GLN A 43 3.377 7.779 10.907 1.00 75.52 H new ATOM 0 HG2 GLN A 43 5.137 8.888 8.856 1.00 75.20 H new ATOM 0 HG3 GLN A 43 5.929 7.601 9.743 1.00 75.20 H new ATOM 0 HE21 GLN A 43 3.625 8.406 7.330 1.00 45.33 H new ATOM 0 HE22 GLN A 43 3.023 6.775 7.014 1.00 45.33 H new ATOM 707 N GLN A 44 5.495 11.270 9.770 1.00 65.43 N ATOM 708 CA GLN A 44 6.631 12.183 9.801 1.00 1.41 C ATOM 709 C GLN A 44 6.484 13.272 8.744 1.00 34.40 C ATOM 710 O GLN A 44 5.425 13.416 8.132 1.00 2.25 O ATOM 711 CB GLN A 44 7.935 11.415 9.580 1.00 64.22 C ATOM 712 CG GLN A 44 8.091 10.205 10.487 1.00 40.34 C ATOM 713 CD GLN A 44 9.343 9.405 10.184 1.00 5.11 C ATOM 714 OE1 GLN A 44 10.278 9.907 9.560 1.00 11.42 O ATOM 715 NE2 GLN A 44 9.368 8.154 10.628 1.00 1.30 N ATOM 0 H GLN A 44 5.195 11.002 8.833 1.00 65.43 H new ATOM 0 HA GLN A 44 6.657 12.656 10.783 1.00 1.41 H new ATOM 0 HB2 GLN A 44 7.983 11.088 8.541 1.00 64.22 H new ATOM 0 HB3 GLN A 44 8.776 12.090 9.741 1.00 64.22 H new ATOM 0 HG2 GLN A 44 8.118 10.535 11.525 1.00 40.34 H new ATOM 0 HG3 GLN A 44 7.218 9.561 10.380 1.00 40.34 H new ATOM 0 HE21 GLN A 44 8.570 7.779 11.141 1.00 1.30 H new ATOM 0 HE22 GLN A 44 10.185 7.568 10.456 1.00 1.30 H new ATOM 724 N ASP A 45 7.550 14.036 8.535 1.00 2.21 N ATOM 725 CA ASP A 45 7.540 15.113 7.553 1.00 55.35 C ATOM 726 C ASP A 45 7.885 14.583 6.164 1.00 41.13 C ATOM 727 O ASP A 45 7.534 15.192 5.152 1.00 43.20 O ATOM 728 CB ASP A 45 8.527 16.209 7.953 1.00 22.31 C ATOM 729 CG ASP A 45 8.008 17.065 9.092 1.00 13.22 C ATOM 730 OD1 ASP A 45 7.083 17.870 8.856 1.00 23.24 O ATOM 731 OD2 ASP A 45 8.527 16.930 10.220 1.00 73.05 O ATOM 0 H ASP A 45 8.433 13.929 9.034 1.00 2.21 H new ATOM 0 HA ASP A 45 6.535 15.535 7.524 1.00 55.35 H new ATOM 0 HB2 ASP A 45 9.473 15.753 8.246 1.00 22.31 H new ATOM 0 HB3 ASP A 45 8.732 16.842 7.090 1.00 22.31 H new ATOM 737 N GLN A 46 8.576 13.448 6.123 1.00 73.10 N ATOM 738 CA GLN A 46 8.970 12.838 4.859 1.00 25.43 C ATOM 739 C GLN A 46 7.800 12.097 4.223 1.00 14.13 C ATOM 740 O GLN A 46 7.754 11.917 3.006 1.00 35.21 O ATOM 741 CB GLN A 46 10.140 11.878 5.075 1.00 63.34 C ATOM 742 CG GLN A 46 11.382 12.243 4.277 1.00 52.32 C ATOM 743 CD GLN A 46 12.649 11.653 4.865 1.00 22.11 C ATOM 744 OE1 GLN A 46 13.042 10.535 4.527 1.00 42.13 O ATOM 745 NE2 GLN A 46 13.295 12.400 5.751 1.00 44.24 N ATOM 0 H GLN A 46 8.874 12.933 6.951 1.00 73.10 H new ATOM 0 HA GLN A 46 9.282 13.634 4.183 1.00 25.43 H new ATOM 0 HB2 GLN A 46 10.392 11.859 6.135 1.00 63.34 H new ATOM 0 HB3 GLN A 46 9.827 10.870 4.803 1.00 63.34 H new ATOM 0 HG2 GLN A 46 11.265 11.894 3.251 1.00 52.32 H new ATOM 0 HG3 GLN A 46 11.476 13.328 4.236 1.00 52.32 H new ATOM 0 HE21 GLN A 46 12.934 13.320 6.002 1.00 44.24 H new ATOM 0 HE22 GLN A 46 14.153 12.054 6.181 1.00 44.24 H new ATOM 754 N GLU A 47 6.855 11.668 5.055 1.00 1.33 N ATOM 755 CA GLU A 47 5.684 10.946 4.572 1.00 62.50 C ATOM 756 C GLU A 47 4.622 11.912 4.056 1.00 35.51 C ATOM 757 O GLU A 47 4.742 13.127 4.215 1.00 10.55 O ATOM 758 CB GLU A 47 5.100 10.075 5.687 1.00 11.14 C ATOM 759 CG GLU A 47 6.151 9.330 6.492 1.00 74.23 C ATOM 760 CD GLU A 47 7.286 8.812 5.631 1.00 75.13 C ATOM 761 OE1 GLU A 47 7.005 8.116 4.633 1.00 74.22 O ATOM 762 OE2 GLU A 47 8.455 9.103 5.954 1.00 43.42 O ATOM 0 H GLU A 47 6.878 11.808 6.065 1.00 1.33 H new ATOM 0 HA GLU A 47 5.998 10.306 3.747 1.00 62.50 H new ATOM 0 HB2 GLU A 47 4.517 10.704 6.360 1.00 11.14 H new ATOM 0 HB3 GLU A 47 4.411 9.353 5.249 1.00 11.14 H new ATOM 0 HG2 GLU A 47 6.554 9.993 7.258 1.00 74.23 H new ATOM 0 HG3 GLU A 47 5.681 8.493 7.009 1.00 74.23 H new ATOM 769 N LEU A 48 3.582 11.363 3.438 1.00 11.34 N ATOM 770 CA LEU A 48 2.498 12.175 2.896 1.00 23.34 C ATOM 771 C LEU A 48 1.148 11.704 3.428 1.00 12.11 C ATOM 772 O LEU A 48 0.896 10.505 3.536 1.00 65.53 O ATOM 773 CB LEU A 48 2.505 12.118 1.367 1.00 72.33 C ATOM 774 CG LEU A 48 2.379 13.460 0.646 1.00 31.52 C ATOM 775 CD1 LEU A 48 2.551 13.277 -0.854 1.00 62.24 C ATOM 776 CD2 LEU A 48 1.038 14.109 0.955 1.00 71.53 C ATOM 0 H LEU A 48 3.466 10.359 3.300 1.00 11.34 H new ATOM 0 HA LEU A 48 2.655 13.206 3.215 1.00 23.34 H new ATOM 0 HB2 LEU A 48 3.431 11.641 1.045 1.00 72.33 H new ATOM 0 HB3 LEU A 48 1.686 11.476 1.043 1.00 72.33 H new ATOM 0 HG LEU A 48 3.170 14.119 1.005 1.00 31.52 H new ATOM 0 HD11 LEU A 48 2.458 14.242 -1.351 1.00 62.24 H new ATOM 0 HD12 LEU A 48 3.536 12.856 -1.059 1.00 62.24 H new ATOM 0 HD13 LEU A 48 1.783 12.601 -1.229 1.00 62.24 H new ATOM 0 HD21 LEU A 48 0.967 15.063 0.433 1.00 71.53 H new ATOM 0 HD22 LEU A 48 0.232 13.454 0.625 1.00 71.53 H new ATOM 0 HD23 LEU A 48 0.953 14.276 2.029 1.00 71.53 H new ATOM 788 N ASP A 49 0.283 12.657 3.757 1.00 71.45 N ATOM 789 CA ASP A 49 -1.044 12.340 4.273 1.00 22.33 C ATOM 790 C ASP A 49 -2.016 12.047 3.135 1.00 2.10 C ATOM 791 O ASP A 49 -2.374 12.940 2.366 1.00 63.52 O ATOM 792 CB ASP A 49 -1.572 13.495 5.126 1.00 24.53 C ATOM 793 CG ASP A 49 -0.523 14.040 6.076 1.00 61.33 C ATOM 794 OD1 ASP A 49 -0.656 13.818 7.298 1.00 25.23 O ATOM 795 OD2 ASP A 49 0.432 14.688 5.598 1.00 35.53 O ATOM 0 H ASP A 49 0.477 13.655 3.676 1.00 71.45 H new ATOM 0 HA ASP A 49 -0.961 11.448 4.893 1.00 22.33 H new ATOM 0 HB2 ASP A 49 -1.918 14.296 4.473 1.00 24.53 H new ATOM 0 HB3 ASP A 49 -2.435 13.155 5.699 1.00 24.53 H new ATOM 801 N ILE A 50 -2.437 10.792 3.032 1.00 74.44 N ATOM 802 CA ILE A 50 -3.367 10.381 1.988 1.00 75.41 C ATOM 803 C ILE A 50 -4.764 10.153 2.554 1.00 50.11 C ATOM 804 O ILE A 50 -4.922 9.717 3.695 1.00 23.00 O ATOM 805 CB ILE A 50 -2.893 9.093 1.286 1.00 33.34 C ATOM 806 CG1 ILE A 50 -2.528 8.028 2.322 1.00 24.43 C ATOM 807 CG2 ILE A 50 -1.707 9.390 0.381 1.00 72.12 C ATOM 808 CD1 ILE A 50 -2.171 6.691 1.712 1.00 51.32 C ATOM 0 H ILE A 50 -2.149 10.041 3.659 1.00 74.44 H new ATOM 0 HA ILE A 50 -3.401 11.191 1.259 1.00 75.41 H new ATOM 0 HB ILE A 50 -3.707 8.710 0.670 1.00 33.34 H new ATOM 0 HG12 ILE A 50 -1.686 8.384 2.916 1.00 24.43 H new ATOM 0 HG13 ILE A 50 -3.367 7.894 3.005 1.00 24.43 H new ATOM 0 HG21 ILE A 50 -1.383 8.471 -0.108 1.00 72.12 H new ATOM 0 HG22 ILE A 50 -1.999 10.119 -0.374 1.00 72.12 H new ATOM 0 HG23 ILE A 50 -0.887 9.793 0.976 1.00 72.12 H new ATOM 0 HD11 ILE A 50 -1.923 5.984 2.504 1.00 51.32 H new ATOM 0 HD12 ILE A 50 -3.019 6.313 1.141 1.00 51.32 H new ATOM 0 HD13 ILE A 50 -1.313 6.810 1.051 1.00 51.32 H new ATOM 820 N LYS A 51 -5.779 10.451 1.748 1.00 60.22 N ATOM 821 CA LYS A 51 -7.164 10.275 2.166 1.00 3.34 C ATOM 822 C LYS A 51 -7.842 9.174 1.359 1.00 62.43 C ATOM 823 O LYS A 51 -7.362 8.785 0.293 1.00 24.23 O ATOM 824 CB LYS A 51 -7.936 11.587 2.005 1.00 14.43 C ATOM 825 CG LYS A 51 -7.374 12.730 2.832 1.00 23.41 C ATOM 826 CD LYS A 51 -7.984 14.062 2.432 1.00 11.32 C ATOM 827 CE LYS A 51 -6.924 15.146 2.305 1.00 15.04 C ATOM 828 NZ LYS A 51 -6.274 15.440 3.612 1.00 1.30 N ATOM 0 H LYS A 51 -5.667 10.815 0.802 1.00 60.22 H new ATOM 0 HA LYS A 51 -7.165 9.984 3.216 1.00 3.34 H new ATOM 0 HB2 LYS A 51 -7.932 11.874 0.954 1.00 14.43 H new ATOM 0 HB3 LYS A 51 -8.976 11.423 2.287 1.00 14.43 H new ATOM 0 HG2 LYS A 51 -7.566 12.544 3.889 1.00 23.41 H new ATOM 0 HG3 LYS A 51 -6.292 12.773 2.707 1.00 23.41 H new ATOM 0 HD2 LYS A 51 -8.509 13.952 1.483 1.00 11.32 H new ATOM 0 HD3 LYS A 51 -8.725 14.361 3.174 1.00 11.32 H new ATOM 0 HE2 LYS A 51 -6.168 14.832 1.585 1.00 15.04 H new ATOM 0 HE3 LYS A 51 -7.379 16.055 1.913 1.00 15.04 H new ATOM 0 HZ1 LYS A 51 -5.570 16.195 3.487 1.00 1.30 H new ATOM 0 HZ2 LYS A 51 -6.994 15.747 4.297 1.00 1.30 H new ATOM 0 HZ3 LYS A 51 -5.803 14.583 3.966 1.00 1.30 H new ATOM 842 N LYS A 52 -8.960 8.671 1.872 1.00 65.32 N ATOM 843 CA LYS A 52 -9.706 7.615 1.199 1.00 22.00 C ATOM 844 C LYS A 52 -9.947 7.968 -0.265 1.00 43.32 C ATOM 845 O LYS A 52 -10.106 9.137 -0.614 1.00 33.05 O ATOM 846 CB LYS A 52 -11.041 7.376 1.905 1.00 15.42 C ATOM 847 CG LYS A 52 -11.763 6.125 1.432 1.00 14.35 C ATOM 848 CD LYS A 52 -11.920 5.114 2.556 1.00 44.03 C ATOM 849 CE LYS A 52 -11.864 3.687 2.033 1.00 14.25 C ATOM 850 NZ LYS A 52 -12.858 2.810 2.712 1.00 32.55 N ATOM 0 H LYS A 52 -9.370 8.979 2.754 1.00 65.32 H new ATOM 0 HA LYS A 52 -9.113 6.702 1.241 1.00 22.00 H new ATOM 0 HB2 LYS A 52 -10.867 7.301 2.978 1.00 15.42 H new ATOM 0 HB3 LYS A 52 -11.686 8.240 1.746 1.00 15.42 H new ATOM 0 HG2 LYS A 52 -12.745 6.395 1.044 1.00 14.35 H new ATOM 0 HG3 LYS A 52 -11.209 5.673 0.609 1.00 14.35 H new ATOM 0 HD2 LYS A 52 -11.132 5.263 3.294 1.00 44.03 H new ATOM 0 HD3 LYS A 52 -12.869 5.279 3.065 1.00 44.03 H new ATOM 0 HE2 LYS A 52 -12.052 3.686 0.959 1.00 14.25 H new ATOM 0 HE3 LYS A 52 -10.862 3.284 2.182 1.00 14.25 H new ATOM 0 HZ1 LYS A 52 -12.789 1.846 2.329 1.00 32.55 H new ATOM 0 HZ2 LYS A 52 -12.664 2.791 3.734 1.00 32.55 H new ATOM 0 HZ3 LYS A 52 -13.816 3.180 2.549 1.00 32.55 H new ATOM 864 N ASN A 53 -9.972 6.948 -1.118 1.00 1.45 N ATOM 865 CA ASN A 53 -10.196 7.153 -2.546 1.00 70.11 C ATOM 866 C ASN A 53 -9.451 8.389 -3.042 1.00 40.15 C ATOM 867 O ASN A 53 -10.060 9.332 -3.544 1.00 54.12 O ATOM 868 CB ASN A 53 -11.691 7.295 -2.833 1.00 51.51 C ATOM 869 CG ASN A 53 -12.359 8.315 -1.932 1.00 33.25 C ATOM 870 OD1 ASN A 53 -12.689 8.022 -0.782 1.00 2.20 O ATOM 871 ND2 ASN A 53 -12.563 9.520 -2.450 1.00 23.43 N ATOM 0 H ASN A 53 -9.840 5.974 -0.846 1.00 1.45 H new ATOM 0 HA ASN A 53 -9.812 6.282 -3.078 1.00 70.11 H new ATOM 0 HB2 ASN A 53 -11.832 7.586 -3.874 1.00 51.51 H new ATOM 0 HB3 ASN A 53 -12.176 6.328 -2.704 1.00 51.51 H new ATOM 0 HD21 ASN A 53 -13.009 10.247 -1.890 1.00 23.43 H new ATOM 0 HD22 ASN A 53 -12.273 9.719 -3.408 1.00 23.43 H new ATOM 878 N GLU A 54 -8.130 8.374 -2.896 1.00 52.40 N ATOM 879 CA GLU A 54 -7.302 9.494 -3.330 1.00 15.53 C ATOM 880 C GLU A 54 -6.302 9.052 -4.395 1.00 30.02 C ATOM 881 O GLU A 54 -5.556 8.091 -4.199 1.00 61.12 O ATOM 882 CB GLU A 54 -6.559 10.101 -2.137 1.00 22.41 C ATOM 883 CG GLU A 54 -5.746 11.334 -2.490 1.00 21.11 C ATOM 884 CD GLU A 54 -6.407 12.620 -2.030 1.00 71.35 C ATOM 885 OE1 GLU A 54 -6.269 12.965 -0.838 1.00 71.44 O ATOM 886 OE2 GLU A 54 -7.062 13.280 -2.863 1.00 63.22 O ATOM 0 H GLU A 54 -7.611 7.600 -2.481 1.00 52.40 H new ATOM 0 HA GLU A 54 -7.957 10.250 -3.763 1.00 15.53 H new ATOM 0 HB2 GLU A 54 -7.282 10.362 -1.364 1.00 22.41 H new ATOM 0 HB3 GLU A 54 -5.895 9.348 -1.712 1.00 22.41 H new ATOM 0 HG2 GLU A 54 -4.758 11.255 -2.036 1.00 21.11 H new ATOM 0 HG3 GLU A 54 -5.599 11.371 -3.569 1.00 21.11 H new ATOM 893 N ARG A 55 -6.293 9.758 -5.520 1.00 70.33 N ATOM 894 CA ARG A 55 -5.387 9.437 -6.615 1.00 4.54 C ATOM 895 C ARG A 55 -4.286 10.488 -6.736 1.00 32.20 C ATOM 896 O ARG A 55 -4.513 11.672 -6.481 1.00 24.40 O ATOM 897 CB ARG A 55 -6.159 9.341 -7.933 1.00 33.52 C ATOM 898 CG ARG A 55 -7.248 10.391 -8.079 1.00 11.41 C ATOM 899 CD ARG A 55 -7.568 10.662 -9.541 1.00 45.42 C ATOM 900 NE ARG A 55 -7.953 12.052 -9.769 1.00 25.22 N ATOM 901 CZ ARG A 55 -7.083 13.053 -9.850 1.00 43.33 C ATOM 902 NH1 ARG A 55 -5.785 12.817 -9.723 1.00 64.02 N ATOM 903 NH2 ARG A 55 -7.510 14.291 -10.060 1.00 34.43 N ATOM 0 H ARG A 55 -6.903 10.556 -5.697 1.00 70.33 H new ATOM 0 HA ARG A 55 -4.925 8.473 -6.400 1.00 4.54 H new ATOM 0 HB2 ARG A 55 -5.459 9.439 -8.762 1.00 33.52 H new ATOM 0 HB3 ARG A 55 -6.608 8.351 -8.010 1.00 33.52 H new ATOM 0 HG2 ARG A 55 -8.149 10.057 -7.564 1.00 11.41 H new ATOM 0 HG3 ARG A 55 -6.930 11.316 -7.597 1.00 11.41 H new ATOM 0 HD2 ARG A 55 -6.698 10.422 -10.153 1.00 45.42 H new ATOM 0 HD3 ARG A 55 -8.376 10.005 -9.863 1.00 45.42 H new ATOM 0 HE ARG A 55 -8.945 12.266 -9.872 1.00 25.22 H new ATOM 0 HH11 ARG A 55 -5.453 11.866 -9.563 1.00 64.02 H new ATOM 0 HH12 ARG A 55 -5.118 13.586 -9.785 1.00 64.02 H new ATOM 0 HH21 ARG A 55 -8.508 14.476 -10.160 1.00 34.43 H new ATOM 0 HH22 ARG A 55 -6.840 15.058 -10.122 1.00 34.43 H new ATOM 917 N LEU A 56 -3.096 10.048 -7.126 1.00 64.31 N ATOM 918 CA LEU A 56 -1.958 10.949 -7.279 1.00 11.24 C ATOM 919 C LEU A 56 -1.051 10.492 -8.417 1.00 13.20 C ATOM 920 O LEU A 56 -1.301 9.465 -9.049 1.00 0.43 O ATOM 921 CB LEU A 56 -1.163 11.025 -5.975 1.00 72.13 C ATOM 922 CG LEU A 56 -1.612 12.092 -4.975 1.00 44.54 C ATOM 923 CD1 LEU A 56 -2.792 11.595 -4.156 1.00 54.24 C ATOM 924 CD2 LEU A 56 -0.457 12.489 -4.065 1.00 74.14 C ATOM 0 H LEU A 56 -2.893 9.072 -7.342 1.00 64.31 H new ATOM 0 HA LEU A 56 -2.341 11.940 -7.521 1.00 11.24 H new ATOM 0 HB2 LEU A 56 -1.213 10.053 -5.485 1.00 72.13 H new ATOM 0 HB3 LEU A 56 -0.116 11.204 -6.221 1.00 72.13 H new ATOM 0 HG LEU A 56 -1.930 12.973 -5.532 1.00 44.54 H new ATOM 0 HD11 LEU A 56 -3.097 12.368 -3.451 1.00 54.24 H new ATOM 0 HD12 LEU A 56 -3.624 11.362 -4.821 1.00 54.24 H new ATOM 0 HD13 LEU A 56 -2.503 10.698 -3.609 1.00 54.24 H new ATOM 0 HD21 LEU A 56 -0.794 13.249 -3.360 1.00 74.14 H new ATOM 0 HD22 LEU A 56 -0.109 11.614 -3.516 1.00 74.14 H new ATOM 0 HD23 LEU A 56 0.359 12.889 -4.667 1.00 74.14 H new ATOM 936 N TRP A 57 0.003 11.260 -8.670 1.00 20.21 N ATOM 937 CA TRP A 57 0.950 10.932 -9.730 1.00 71.13 C ATOM 938 C TRP A 57 2.086 10.068 -9.196 1.00 71.35 C ATOM 939 O TRP A 57 2.860 10.499 -8.341 1.00 33.05 O ATOM 940 CB TRP A 57 1.513 12.210 -10.351 1.00 1.41 C ATOM 941 CG TRP A 57 0.586 12.849 -11.340 1.00 34.15 C ATOM 942 CD1 TRP A 57 0.762 12.939 -12.691 1.00 11.44 C ATOM 943 CD2 TRP A 57 -0.663 13.488 -11.053 1.00 12.30 C ATOM 944 NE1 TRP A 57 -0.300 13.598 -13.262 1.00 73.24 N ATOM 945 CE2 TRP A 57 -1.190 13.942 -12.279 1.00 3.35 C ATOM 946 CE3 TRP A 57 -1.391 13.718 -9.883 1.00 4.43 C ATOM 947 CZ2 TRP A 57 -2.407 14.615 -12.363 1.00 71.31 C ATOM 948 CZ3 TRP A 57 -2.597 14.385 -9.967 1.00 4.22 C ATOM 949 CH2 TRP A 57 -3.096 14.826 -11.199 1.00 53.44 C ATOM 0 H TRP A 57 0.223 12.113 -8.156 1.00 20.21 H new ATOM 0 HA TRP A 57 0.419 10.367 -10.496 1.00 71.13 H new ATOM 0 HB2 TRP A 57 1.734 12.924 -9.558 1.00 1.41 H new ATOM 0 HB3 TRP A 57 2.457 11.980 -10.845 1.00 1.41 H new ATOM 0 HD1 TRP A 57 1.612 12.549 -13.232 1.00 11.44 H new ATOM 0 HE1 TRP A 57 -0.408 13.798 -14.256 1.00 73.24 H new ATOM 0 HE3 TRP A 57 -1.016 13.380 -8.928 1.00 4.43 H new ATOM 0 HZ2 TRP A 57 -2.793 14.958 -13.312 1.00 71.31 H new ATOM 0 HZ3 TRP A 57 -3.165 14.570 -9.067 1.00 4.22 H new ATOM 0 HH2 TRP A 57 -4.044 15.343 -11.231 1.00 53.44 H new ATOM 960 N LEU A 58 2.183 8.845 -9.707 1.00 72.51 N ATOM 961 CA LEU A 58 3.228 7.918 -9.282 1.00 10.03 C ATOM 962 C LEU A 58 4.603 8.416 -9.709 1.00 41.03 C ATOM 963 O LEU A 58 4.842 8.676 -10.889 1.00 3.01 O ATOM 964 CB LEU A 58 2.971 6.527 -9.864 1.00 40.43 C ATOM 965 CG LEU A 58 2.450 5.475 -8.885 1.00 24.22 C ATOM 966 CD1 LEU A 58 2.346 4.117 -9.565 1.00 24.34 C ATOM 967 CD2 LEU A 58 3.350 5.393 -7.661 1.00 63.41 C ATOM 0 H LEU A 58 1.551 8.472 -10.416 1.00 72.51 H new ATOM 0 HA LEU A 58 3.206 7.858 -8.194 1.00 10.03 H new ATOM 0 HB2 LEU A 58 2.253 6.623 -10.679 1.00 40.43 H new ATOM 0 HB3 LEU A 58 3.900 6.160 -10.300 1.00 40.43 H new ATOM 0 HG LEU A 58 1.453 5.772 -8.559 1.00 24.22 H new ATOM 0 HD11 LEU A 58 1.973 3.381 -8.853 1.00 24.34 H new ATOM 0 HD12 LEU A 58 1.660 4.184 -10.409 1.00 24.34 H new ATOM 0 HD13 LEU A 58 3.330 3.812 -9.921 1.00 24.34 H new ATOM 0 HD21 LEU A 58 2.964 4.639 -6.975 1.00 63.41 H new ATOM 0 HD22 LEU A 58 4.359 5.120 -7.969 1.00 63.41 H new ATOM 0 HD23 LEU A 58 3.373 6.361 -7.161 1.00 63.41 H new ATOM 979 N LEU A 59 5.508 8.543 -8.745 1.00 31.41 N ATOM 980 CA LEU A 59 6.862 9.007 -9.021 1.00 42.42 C ATOM 981 C LEU A 59 7.844 7.841 -9.043 1.00 54.12 C ATOM 982 O LEU A 59 8.353 7.464 -10.098 1.00 73.14 O ATOM 983 CB LEU A 59 7.295 10.033 -7.973 1.00 11.42 C ATOM 984 CG LEU A 59 6.465 11.315 -7.904 1.00 34.31 C ATOM 985 CD1 LEU A 59 7.116 12.325 -6.972 1.00 2.51 C ATOM 986 CD2 LEU A 59 6.283 11.908 -9.294 1.00 23.32 C ATOM 0 H LEU A 59 5.328 8.331 -7.764 1.00 31.41 H new ATOM 0 HA LEU A 59 6.864 9.478 -10.004 1.00 42.42 H new ATOM 0 HB2 LEU A 59 7.270 9.555 -6.994 1.00 11.42 H new ATOM 0 HB3 LEU A 59 8.332 10.306 -8.168 1.00 11.42 H new ATOM 0 HG LEU A 59 5.482 11.066 -7.505 1.00 34.31 H new ATOM 0 HD11 LEU A 59 6.510 13.230 -6.936 1.00 2.51 H new ATOM 0 HD12 LEU A 59 7.192 11.900 -5.971 1.00 2.51 H new ATOM 0 HD13 LEU A 59 8.113 12.569 -7.339 1.00 2.51 H new ATOM 0 HD21 LEU A 59 5.690 12.820 -9.226 1.00 23.32 H new ATOM 0 HD22 LEU A 59 7.259 12.141 -9.721 1.00 23.32 H new ATOM 0 HD23 LEU A 59 5.770 11.189 -9.932 1.00 23.32 H new ATOM 998 N ASP A 60 8.104 7.271 -7.871 1.00 44.41 N ATOM 999 CA ASP A 60 9.023 6.144 -7.755 1.00 53.21 C ATOM 1000 C ASP A 60 8.438 5.057 -6.858 1.00 45.45 C ATOM 1001 O ASP A 60 8.339 5.228 -5.644 1.00 11.00 O ATOM 1002 CB ASP A 60 10.370 6.610 -7.202 1.00 33.53 C ATOM 1003 CG ASP A 60 11.543 5.944 -7.894 1.00 10.14 C ATOM 1004 OD1 ASP A 60 11.859 6.338 -9.037 1.00 33.32 O ATOM 1005 OD2 ASP A 60 12.144 5.029 -7.293 1.00 2.54 O ATOM 0 H ASP A 60 7.691 7.571 -6.988 1.00 44.41 H new ATOM 0 HA ASP A 60 9.174 5.726 -8.750 1.00 53.21 H new ATOM 0 HB2 ASP A 60 10.451 7.691 -7.315 1.00 33.53 H new ATOM 0 HB3 ASP A 60 10.414 6.397 -6.134 1.00 33.53 H new ATOM 1011 N ASP A 61 8.053 3.940 -7.467 1.00 74.32 N ATOM 1012 CA ASP A 61 7.479 2.825 -6.723 1.00 35.31 C ATOM 1013 C ASP A 61 8.305 1.558 -6.919 1.00 73.24 C ATOM 1014 O ASP A 61 7.923 0.666 -7.679 1.00 5.12 O ATOM 1015 CB ASP A 61 6.035 2.580 -7.163 1.00 10.40 C ATOM 1016 CG ASP A 61 5.783 3.015 -8.594 1.00 45.04 C ATOM 1017 OD1 ASP A 61 5.656 2.132 -9.469 1.00 4.14 O ATOM 1018 OD2 ASP A 61 5.717 4.237 -8.839 1.00 54.01 O ATOM 0 H ASP A 61 8.128 3.783 -8.472 1.00 74.32 H new ATOM 0 HA ASP A 61 7.489 3.084 -5.664 1.00 35.31 H new ATOM 0 HB2 ASP A 61 5.803 1.520 -7.063 1.00 10.40 H new ATOM 0 HB3 ASP A 61 5.360 3.119 -6.498 1.00 10.40 H new ATOM 1024 N SER A 62 9.439 1.485 -6.230 1.00 51.14 N ATOM 1025 CA SER A 62 10.323 0.328 -6.333 1.00 21.31 C ATOM 1026 C SER A 62 10.322 -0.472 -5.034 1.00 65.44 C ATOM 1027 O SER A 62 10.143 -1.690 -5.041 1.00 44.24 O ATOM 1028 CB SER A 62 11.746 0.776 -6.668 1.00 42.43 C ATOM 1029 OG SER A 62 12.140 0.306 -7.946 1.00 55.42 O ATOM 0 H SER A 62 9.768 2.212 -5.595 1.00 51.14 H new ATOM 0 HA SER A 62 9.953 -0.312 -7.134 1.00 21.31 H new ATOM 0 HB2 SER A 62 11.804 1.864 -6.643 1.00 42.43 H new ATOM 0 HB3 SER A 62 12.436 0.403 -5.911 1.00 42.43 H new ATOM 0 HG SER A 62 13.053 0.607 -8.138 1.00 55.42 H new ATOM 1035 N LYS A 63 10.524 0.222 -3.919 1.00 71.41 N ATOM 1036 CA LYS A 63 10.547 -0.421 -2.610 1.00 24.40 C ATOM 1037 C LYS A 63 9.140 -0.524 -2.030 1.00 72.32 C ATOM 1038 O LYS A 63 8.172 -0.057 -2.632 1.00 1.31 O ATOM 1039 CB LYS A 63 11.451 0.357 -1.652 1.00 11.43 C ATOM 1040 CG LYS A 63 12.870 -0.178 -1.584 1.00 24.11 C ATOM 1041 CD LYS A 63 13.666 0.494 -0.477 1.00 40.02 C ATOM 1042 CE LYS A 63 14.901 -0.316 -0.110 1.00 20.25 C ATOM 1043 NZ LYS A 63 16.080 0.558 0.145 1.00 63.04 N ATOM 0 H LYS A 63 10.674 1.231 -3.896 1.00 71.41 H new ATOM 0 HA LYS A 63 10.944 -1.429 -2.735 1.00 24.40 H new ATOM 0 HB2 LYS A 63 11.480 1.402 -1.962 1.00 11.43 H new ATOM 0 HB3 LYS A 63 11.014 0.332 -0.654 1.00 11.43 H new ATOM 0 HG2 LYS A 63 12.846 -1.255 -1.415 1.00 24.11 H new ATOM 0 HG3 LYS A 63 13.367 -0.017 -2.541 1.00 24.11 H new ATOM 0 HD2 LYS A 63 13.966 1.492 -0.797 1.00 40.02 H new ATOM 0 HD3 LYS A 63 13.035 0.617 0.403 1.00 40.02 H new ATOM 0 HE2 LYS A 63 14.693 -0.914 0.777 1.00 20.25 H new ATOM 0 HE3 LYS A 63 15.132 -1.012 -0.916 1.00 20.25 H new ATOM 0 HZ1 LYS A 63 16.901 -0.030 0.392 1.00 63.04 H new ATOM 0 HZ2 LYS A 63 16.294 1.110 -0.710 1.00 63.04 H new ATOM 0 HZ3 LYS A 63 15.869 1.205 0.931 1.00 63.04 H new ATOM 1057 N THR A 64 9.032 -1.135 -0.854 1.00 50.53 N ATOM 1058 CA THR A 64 7.745 -1.299 -0.192 1.00 10.15 C ATOM 1059 C THR A 64 6.946 0.001 -0.215 1.00 23.43 C ATOM 1060 O THR A 64 5.732 -0.010 -0.417 1.00 61.41 O ATOM 1061 CB THR A 64 7.918 -1.757 1.269 1.00 11.43 C ATOM 1062 OG1 THR A 64 6.735 -1.458 2.019 1.00 4.45 O ATOM 1063 CG2 THR A 64 9.118 -1.078 1.909 1.00 71.23 C ATOM 0 H THR A 64 9.822 -1.525 -0.340 1.00 50.53 H new ATOM 0 HA THR A 64 7.202 -2.067 -0.743 1.00 10.15 H new ATOM 0 HB THR A 64 8.086 -2.834 1.273 1.00 11.43 H new ATOM 0 HG1 THR A 64 5.949 -1.790 1.537 1.00 4.45 H new ATOM 0 HG21 THR A 64 9.221 -1.416 2.940 1.00 71.23 H new ATOM 0 HG22 THR A 64 10.020 -1.332 1.352 1.00 71.23 H new ATOM 0 HG23 THR A 64 8.975 0.003 1.894 1.00 71.23 H new ATOM 1071 N TRP A 65 7.636 1.115 -0.008 1.00 2.24 N ATOM 1072 CA TRP A 65 6.992 2.424 -0.004 1.00 55.41 C ATOM 1073 C TRP A 65 7.061 3.067 -1.385 1.00 3.44 C ATOM 1074 O TRP A 65 8.090 3.008 -2.056 1.00 74.01 O ATOM 1075 CB TRP A 65 7.648 3.338 1.031 1.00 74.24 C ATOM 1076 CG TRP A 65 7.174 3.086 2.431 1.00 40.13 C ATOM 1077 CD1 TRP A 65 7.363 1.952 3.169 1.00 41.13 C ATOM 1078 CD2 TRP A 65 6.431 3.986 3.260 1.00 32.10 C ATOM 1079 NE1 TRP A 65 6.781 2.093 4.407 1.00 41.13 N ATOM 1080 CE2 TRP A 65 6.204 3.332 4.487 1.00 63.13 C ATOM 1081 CE3 TRP A 65 5.937 5.282 3.086 1.00 52.21 C ATOM 1082 CZ2 TRP A 65 5.506 3.932 5.531 1.00 15.20 C ATOM 1083 CZ3 TRP A 65 5.244 5.874 4.122 1.00 34.33 C ATOM 1084 CH2 TRP A 65 5.033 5.202 5.333 1.00 73.24 C ATOM 0 H TRP A 65 8.642 1.139 0.159 1.00 2.24 H new ATOM 0 HA TRP A 65 5.944 2.284 0.261 1.00 55.41 H new ATOM 0 HB2 TRP A 65 8.729 3.203 0.991 1.00 74.24 H new ATOM 0 HB3 TRP A 65 7.446 4.376 0.768 1.00 74.24 H new ATOM 0 HD1 TRP A 65 7.892 1.074 2.830 1.00 41.13 H new ATOM 0 HE1 TRP A 65 6.779 1.389 5.145 1.00 41.13 H new ATOM 0 HE3 TRP A 65 6.095 5.810 2.157 1.00 52.21 H new ATOM 0 HZ2 TRP A 65 5.343 3.414 6.465 1.00 15.20 H new ATOM 0 HZ3 TRP A 65 4.857 6.874 3.997 1.00 34.33 H new ATOM 0 HH2 TRP A 65 4.488 5.694 6.125 1.00 73.24 H new ATOM 1095 N TRP A 66 5.960 3.683 -1.800 1.00 11.04 N ATOM 1096 CA TRP A 66 5.897 4.339 -3.102 1.00 51.41 C ATOM 1097 C TRP A 66 5.781 5.852 -2.945 1.00 40.22 C ATOM 1098 O TRP A 66 5.290 6.344 -1.928 1.00 62.23 O ATOM 1099 CB TRP A 66 4.711 3.807 -3.907 1.00 74.03 C ATOM 1100 CG TRP A 66 4.771 2.327 -4.144 1.00 13.10 C ATOM 1101 CD1 TRP A 66 5.837 1.504 -3.921 1.00 11.32 C ATOM 1102 CD2 TRP A 66 3.720 1.498 -4.652 1.00 3.33 C ATOM 1103 NE1 TRP A 66 5.513 0.213 -4.259 1.00 53.43 N ATOM 1104 CE2 TRP A 66 4.220 0.182 -4.709 1.00 11.42 C ATOM 1105 CE3 TRP A 66 2.406 1.738 -5.062 1.00 24.42 C ATOM 1106 CZ2 TRP A 66 3.450 -0.887 -5.161 1.00 32.24 C ATOM 1107 CZ3 TRP A 66 1.644 0.676 -5.509 1.00 34.32 C ATOM 1108 CH2 TRP A 66 2.165 -0.623 -5.556 1.00 64.11 C ATOM 0 H TRP A 66 5.100 3.742 -1.255 1.00 11.04 H new ATOM 0 HA TRP A 66 6.820 4.117 -3.637 1.00 51.41 H new ATOM 0 HB2 TRP A 66 3.787 4.047 -3.381 1.00 74.03 H new ATOM 0 HB3 TRP A 66 4.673 4.321 -4.868 1.00 74.03 H new ATOM 0 HD1 TRP A 66 6.795 1.822 -3.535 1.00 11.32 H new ATOM 0 HE1 TRP A 66 6.135 -0.592 -4.187 1.00 53.43 H new ATOM 0 HE3 TRP A 66 1.994 2.736 -5.030 1.00 24.42 H new ATOM 0 HZ2 TRP A 66 3.852 -1.889 -5.199 1.00 32.24 H new ATOM 0 HZ3 TRP A 66 0.627 0.851 -5.828 1.00 34.32 H new ATOM 0 HH2 TRP A 66 1.543 -1.431 -5.910 1.00 64.11 H new ATOM 1119 N ARG A 67 6.237 6.584 -3.955 1.00 53.22 N ATOM 1120 CA ARG A 67 6.185 8.041 -3.929 1.00 64.51 C ATOM 1121 C ARG A 67 5.144 8.566 -4.912 1.00 31.42 C ATOM 1122 O ARG A 67 5.139 8.194 -6.085 1.00 53.33 O ATOM 1123 CB ARG A 67 7.558 8.627 -4.260 1.00 32.31 C ATOM 1124 CG ARG A 67 7.617 10.142 -4.148 1.00 23.21 C ATOM 1125 CD ARG A 67 8.842 10.596 -3.368 1.00 73.42 C ATOM 1126 NE ARG A 67 9.049 12.038 -3.465 1.00 43.52 N ATOM 1127 CZ ARG A 67 9.677 12.623 -4.480 1.00 31.41 C ATOM 1128 NH1 ARG A 67 10.156 11.893 -5.478 1.00 3.33 N ATOM 1129 NH2 ARG A 67 9.827 13.942 -4.497 1.00 31.31 N ATOM 0 H ARG A 67 6.647 6.192 -4.803 1.00 53.22 H new ATOM 0 HA ARG A 67 5.898 8.352 -2.924 1.00 64.51 H new ATOM 0 HB2 ARG A 67 8.300 8.192 -3.590 1.00 32.31 H new ATOM 0 HB3 ARG A 67 7.834 8.335 -5.273 1.00 32.31 H new ATOM 0 HG2 ARG A 67 7.636 10.581 -5.145 1.00 23.21 H new ATOM 0 HG3 ARG A 67 6.715 10.507 -3.656 1.00 23.21 H new ATOM 0 HD2 ARG A 67 8.729 10.316 -2.321 1.00 73.42 H new ATOM 0 HD3 ARG A 67 9.724 10.077 -3.744 1.00 73.42 H new ATOM 0 HE ARG A 67 8.693 12.628 -2.713 1.00 43.52 H new ATOM 0 HH11 ARG A 67 10.043 10.879 -5.468 1.00 3.33 H new ATOM 0 HH12 ARG A 67 10.637 12.345 -6.255 1.00 3.33 H new ATOM 0 HH21 ARG A 67 9.460 14.507 -3.731 1.00 31.31 H new ATOM 0 HH22 ARG A 67 10.309 14.390 -5.276 1.00 31.31 H new ATOM 1143 N VAL A 68 4.263 9.434 -4.425 1.00 11.43 N ATOM 1144 CA VAL A 68 3.217 10.012 -5.261 1.00 51.33 C ATOM 1145 C VAL A 68 3.151 11.526 -5.091 1.00 72.32 C ATOM 1146 O VAL A 68 3.591 12.066 -4.076 1.00 31.35 O ATOM 1147 CB VAL A 68 1.839 9.409 -4.933 1.00 33.54 C ATOM 1148 CG1 VAL A 68 1.859 7.899 -5.113 1.00 74.03 C ATOM 1149 CG2 VAL A 68 1.419 9.779 -3.518 1.00 22.25 C ATOM 0 H VAL A 68 4.253 9.752 -3.456 1.00 11.43 H new ATOM 0 HA VAL A 68 3.472 9.776 -6.294 1.00 51.33 H new ATOM 0 HB VAL A 68 1.107 9.824 -5.626 1.00 33.54 H new ATOM 0 HG11 VAL A 68 0.876 7.491 -4.876 1.00 74.03 H new ATOM 0 HG12 VAL A 68 2.112 7.659 -6.146 1.00 74.03 H new ATOM 0 HG13 VAL A 68 2.603 7.463 -4.446 1.00 74.03 H new ATOM 0 HG21 VAL A 68 0.443 9.345 -3.303 1.00 22.25 H new ATOM 0 HG22 VAL A 68 2.152 9.394 -2.809 1.00 22.25 H new ATOM 0 HG23 VAL A 68 1.361 10.864 -3.427 1.00 22.25 H new ATOM 1159 N ARG A 69 2.597 12.204 -6.091 1.00 22.13 N ATOM 1160 CA ARG A 69 2.475 13.656 -6.052 1.00 21.04 C ATOM 1161 C ARG A 69 1.024 14.084 -6.257 1.00 24.12 C ATOM 1162 O ARG A 69 0.298 13.491 -7.052 1.00 24.12 O ATOM 1163 CB ARG A 69 3.362 14.293 -7.125 1.00 35.24 C ATOM 1164 CG ARG A 69 3.398 15.812 -7.060 1.00 55.14 C ATOM 1165 CD ARG A 69 4.066 16.404 -8.292 1.00 54.03 C ATOM 1166 NE ARG A 69 3.512 15.862 -9.530 1.00 12.32 N ATOM 1167 CZ ARG A 69 2.386 16.297 -10.084 1.00 41.13 C ATOM 1168 NH1 ARG A 69 1.698 17.277 -9.513 1.00 52.42 N ATOM 1169 NH2 ARG A 69 1.946 15.753 -11.212 1.00 24.41 N ATOM 0 H ARG A 69 2.226 11.771 -6.937 1.00 22.13 H new ATOM 0 HA ARG A 69 2.802 13.997 -5.070 1.00 21.04 H new ATOM 0 HB2 ARG A 69 4.377 13.909 -7.021 1.00 35.24 H new ATOM 0 HB3 ARG A 69 3.005 13.988 -8.109 1.00 35.24 H new ATOM 0 HG2 ARG A 69 2.382 16.198 -6.974 1.00 55.14 H new ATOM 0 HG3 ARG A 69 3.936 16.127 -6.166 1.00 55.14 H new ATOM 0 HD2 ARG A 69 3.945 17.487 -8.285 1.00 54.03 H new ATOM 0 HD3 ARG A 69 5.137 16.203 -8.256 1.00 54.03 H new ATOM 0 HE ARG A 69 4.018 15.108 -9.995 1.00 12.32 H new ATOM 0 HH11 ARG A 69 2.033 17.698 -8.647 1.00 52.42 H new ATOM 0 HH12 ARG A 69 0.834 17.609 -9.940 1.00 52.42 H new ATOM 0 HH21 ARG A 69 2.473 15.000 -11.654 1.00 24.41 H new ATOM 0 HH22 ARG A 69 1.081 16.088 -11.636 1.00 24.41 H new ATOM 1183 N ASN A 70 0.610 15.119 -5.531 1.00 71.21 N ATOM 1184 CA ASN A 70 -0.753 15.624 -5.632 1.00 10.55 C ATOM 1185 C ASN A 70 -0.827 16.803 -6.600 1.00 64.30 C ATOM 1186 O ASN A 70 0.184 17.215 -7.169 1.00 23.35 O ATOM 1187 CB ASN A 70 -1.265 16.051 -4.255 1.00 31.20 C ATOM 1188 CG ASN A 70 -0.173 16.657 -3.394 1.00 63.10 C ATOM 1189 OD1 ASN A 70 0.815 15.997 -3.070 1.00 73.30 O ATOM 1190 ND2 ASN A 70 -0.346 17.919 -3.020 1.00 21.55 N ATOM 0 H ASN A 70 1.199 15.623 -4.868 1.00 71.21 H new ATOM 0 HA ASN A 70 -1.383 14.821 -6.015 1.00 10.55 H new ATOM 0 HB2 ASN A 70 -2.070 16.775 -4.378 1.00 31.20 H new ATOM 0 HB3 ASN A 70 -1.689 15.187 -3.744 1.00 31.20 H new ATOM 0 HD21 ASN A 70 0.356 18.380 -2.441 1.00 21.55 H new ATOM 0 HD22 ASN A 70 -1.181 18.428 -3.312 1.00 21.55 H new ATOM 1197 N ALA A 71 -2.028 17.340 -6.780 1.00 43.52 N ATOM 1198 CA ALA A 71 -2.232 18.472 -7.676 1.00 74.51 C ATOM 1199 C ALA A 71 -1.545 19.724 -7.144 1.00 53.02 C ATOM 1200 O ALA A 71 -1.390 20.711 -7.862 1.00 5.33 O ATOM 1201 CB ALA A 71 -3.720 18.727 -7.874 1.00 64.22 C ATOM 0 H ALA A 71 -2.875 17.010 -6.318 1.00 43.52 H new ATOM 0 HA ALA A 71 -1.785 18.226 -8.639 1.00 74.51 H new ATOM 0 HB1 ALA A 71 -3.858 19.575 -8.545 1.00 64.22 H new ATOM 0 HB2 ALA A 71 -4.186 17.842 -8.307 1.00 64.22 H new ATOM 0 HB3 ALA A 71 -4.183 18.947 -6.912 1.00 64.22 H new ATOM 1207 N ALA A 72 -1.135 19.678 -5.881 1.00 33.44 N ATOM 1208 CA ALA A 72 -0.464 20.809 -5.252 1.00 14.44 C ATOM 1209 C ALA A 72 1.030 20.798 -5.557 1.00 64.23 C ATOM 1210 O ALA A 72 1.795 21.575 -4.988 1.00 4.33 O ATOM 1211 CB ALA A 72 -0.700 20.795 -3.750 1.00 23.32 C ATOM 0 H ALA A 72 -1.256 18.868 -5.272 1.00 33.44 H new ATOM 0 HA ALA A 72 -0.885 21.726 -5.664 1.00 14.44 H new ATOM 0 HB1 ALA A 72 -0.193 21.645 -3.294 1.00 23.32 H new ATOM 0 HB2 ALA A 72 -1.769 20.860 -3.549 1.00 23.32 H new ATOM 0 HB3 ALA A 72 -0.307 19.870 -3.329 1.00 23.32 H new ATOM 1217 N ASN A 73 1.440 19.909 -6.455 1.00 74.52 N ATOM 1218 CA ASN A 73 2.844 19.795 -6.832 1.00 53.25 C ATOM 1219 C ASN A 73 3.688 19.320 -5.654 1.00 63.40 C ATOM 1220 O ASN A 73 4.915 19.415 -5.677 1.00 52.32 O ATOM 1221 CB ASN A 73 3.367 21.139 -7.341 1.00 61.03 C ATOM 1222 CG ASN A 73 2.298 21.945 -8.054 1.00 75.43 C ATOM 1223 OD1 ASN A 73 1.493 21.397 -8.808 1.00 13.05 O ATOM 1224 ND2 ASN A 73 2.285 23.250 -7.818 1.00 42.32 N ATOM 0 H ASN A 73 0.820 19.257 -6.935 1.00 74.52 H new ATOM 0 HA ASN A 73 2.921 19.057 -7.630 1.00 53.25 H new ATOM 0 HB2 ASN A 73 3.754 21.717 -6.501 1.00 61.03 H new ATOM 0 HB3 ASN A 73 4.202 20.967 -8.021 1.00 61.03 H new ATOM 0 HD21 ASN A 73 1.588 23.843 -8.269 1.00 42.32 H new ATOM 0 HD22 ASN A 73 2.972 23.661 -7.185 1.00 42.32 H new ATOM 1231 N ARG A 74 3.022 18.810 -4.623 1.00 12.24 N ATOM 1232 CA ARG A 74 3.710 18.321 -3.435 1.00 35.34 C ATOM 1233 C ARG A 74 4.018 16.832 -3.559 1.00 0.13 C ATOM 1234 O ARG A 74 3.195 16.054 -4.044 1.00 50.20 O ATOM 1235 CB ARG A 74 2.860 18.576 -2.187 1.00 44.41 C ATOM 1236 CG ARG A 74 3.671 18.653 -0.904 1.00 51.12 C ATOM 1237 CD ARG A 74 3.937 20.095 -0.499 1.00 33.32 C ATOM 1238 NE ARG A 74 4.648 20.183 0.773 1.00 24.35 N ATOM 1239 CZ ARG A 74 4.091 19.912 1.948 1.00 74.13 C ATOM 1240 NH1 ARG A 74 2.821 19.534 2.012 1.00 42.43 N ATOM 1241 NH2 ARG A 74 4.804 20.015 3.062 1.00 71.33 N ATOM 0 H ARG A 74 2.006 18.725 -4.587 1.00 12.24 H new ATOM 0 HA ARG A 74 4.652 18.862 -3.342 1.00 35.34 H new ATOM 0 HB2 ARG A 74 2.311 19.508 -2.316 1.00 44.41 H new ATOM 0 HB3 ARG A 74 2.121 17.781 -2.092 1.00 44.41 H new ATOM 0 HG2 ARG A 74 3.137 18.142 -0.103 1.00 51.12 H new ATOM 0 HG3 ARG A 74 4.618 18.131 -1.039 1.00 51.12 H new ATOM 0 HD2 ARG A 74 4.521 20.588 -1.276 1.00 33.32 H new ATOM 0 HD3 ARG A 74 2.991 20.631 -0.423 1.00 33.32 H new ATOM 0 HE ARG A 74 5.627 20.469 0.759 1.00 24.35 H new ATOM 0 HH11 ARG A 74 2.270 19.451 1.158 1.00 42.43 H new ATOM 0 HH12 ARG A 74 2.396 19.326 2.916 1.00 42.43 H new ATOM 0 HH21 ARG A 74 5.782 20.303 3.017 1.00 71.33 H new ATOM 0 HH22 ARG A 74 4.375 19.807 3.963 1.00 71.33 H new ATOM 1255 N THR A 75 5.208 16.442 -3.116 1.00 62.05 N ATOM 1256 CA THR A 75 5.626 15.046 -3.178 1.00 2.41 C ATOM 1257 C THR A 75 5.891 14.488 -1.785 1.00 20.33 C ATOM 1258 O THR A 75 6.422 15.182 -0.918 1.00 64.24 O ATOM 1259 CB THR A 75 6.896 14.879 -4.034 1.00 54.14 C ATOM 1260 OG1 THR A 75 7.922 15.763 -3.570 1.00 12.30 O ATOM 1261 CG2 THR A 75 6.602 15.161 -5.499 1.00 52.05 C ATOM 0 H THR A 75 5.900 17.072 -2.710 1.00 62.05 H new ATOM 0 HA THR A 75 4.808 14.492 -3.639 1.00 2.41 H new ATOM 0 HB THR A 75 7.237 13.848 -3.939 1.00 54.14 H new ATOM 0 HG1 THR A 75 8.398 16.143 -4.338 1.00 12.30 H new ATOM 0 HG21 THR A 75 7.514 15.037 -6.084 1.00 52.05 H new ATOM 0 HG22 THR A 75 5.843 14.466 -5.858 1.00 52.05 H new ATOM 0 HG23 THR A 75 6.238 16.183 -5.607 1.00 52.05 H new ATOM 1269 N GLY A 76 5.516 13.229 -1.574 1.00 12.01 N ATOM 1270 CA GLY A 76 5.721 12.600 -0.283 1.00 73.20 C ATOM 1271 C GLY A 76 5.853 11.094 -0.388 1.00 52.23 C ATOM 1272 O GLY A 76 5.971 10.548 -1.485 1.00 34.11 O ATOM 0 H GLY A 76 5.074 12.634 -2.275 1.00 12.01 H new ATOM 0 HA2 GLY A 76 6.619 13.009 0.179 1.00 73.20 H new ATOM 0 HA3 GLY A 76 4.886 12.844 0.374 1.00 73.20 H new ATOM 1276 N TYR A 77 5.838 10.420 0.757 1.00 13.10 N ATOM 1277 CA TYR A 77 5.961 8.967 0.790 1.00 31.32 C ATOM 1278 C TYR A 77 4.712 8.327 1.389 1.00 13.31 C ATOM 1279 O TYR A 77 4.029 8.930 2.217 1.00 61.23 O ATOM 1280 CB TYR A 77 7.195 8.558 1.597 1.00 13.24 C ATOM 1281 CG TYR A 77 8.491 8.683 0.829 1.00 54.01 C ATOM 1282 CD1 TYR A 77 9.066 9.927 0.595 1.00 62.33 C ATOM 1283 CD2 TYR A 77 9.140 7.558 0.334 1.00 74.12 C ATOM 1284 CE1 TYR A 77 10.249 10.045 -0.108 1.00 2.44 C ATOM 1285 CE2 TYR A 77 10.323 7.667 -0.367 1.00 43.35 C ATOM 1286 CZ TYR A 77 10.875 8.913 -0.587 1.00 11.25 C ATOM 1287 OH TYR A 77 12.053 9.026 -1.287 1.00 11.41 O ATOM 0 H TYR A 77 5.742 10.856 1.674 1.00 13.10 H new ATOM 0 HA TYR A 77 6.071 8.613 -0.235 1.00 31.32 H new ATOM 0 HB2 TYR A 77 7.253 9.175 2.494 1.00 13.24 H new ATOM 0 HB3 TYR A 77 7.077 7.526 1.928 1.00 13.24 H new ATOM 0 HD1 TYR A 77 8.580 10.816 0.969 1.00 62.33 H new ATOM 0 HD2 TYR A 77 8.710 6.581 0.501 1.00 74.12 H new ATOM 0 HE1 TYR A 77 10.682 11.019 -0.282 1.00 2.44 H new ATOM 0 HE2 TYR A 77 10.815 6.782 -0.742 1.00 43.35 H new ATOM 0 HH TYR A 77 12.363 8.135 -1.552 1.00 11.41 H new ATOM 1297 N VAL A 78 4.421 7.103 0.963 1.00 35.31 N ATOM 1298 CA VAL A 78 3.256 6.378 1.457 1.00 32.45 C ATOM 1299 C VAL A 78 3.447 4.871 1.321 1.00 11.42 C ATOM 1300 O VAL A 78 4.061 4.381 0.373 1.00 12.43 O ATOM 1301 CB VAL A 78 1.976 6.793 0.706 1.00 51.24 C ATOM 1302 CG1 VAL A 78 1.456 8.122 1.232 1.00 10.42 C ATOM 1303 CG2 VAL A 78 2.240 6.868 -0.790 1.00 31.11 C ATOM 0 H VAL A 78 4.976 6.592 0.277 1.00 35.31 H new ATOM 0 HA VAL A 78 3.148 6.633 2.511 1.00 32.45 H new ATOM 0 HB VAL A 78 1.210 6.037 0.880 1.00 51.24 H new ATOM 0 HG11 VAL A 78 0.552 8.399 0.690 1.00 10.42 H new ATOM 0 HG12 VAL A 78 1.228 8.029 2.294 1.00 10.42 H new ATOM 0 HG13 VAL A 78 2.215 8.892 1.090 1.00 10.42 H new ATOM 0 HG21 VAL A 78 1.326 7.162 -1.306 1.00 31.11 H new ATOM 0 HG22 VAL A 78 3.020 7.604 -0.985 1.00 31.11 H new ATOM 0 HG23 VAL A 78 2.563 5.892 -1.152 1.00 31.11 H new ATOM 1313 N PRO A 79 2.908 4.117 2.291 1.00 0.52 N ATOM 1314 CA PRO A 79 3.005 2.655 2.301 1.00 60.03 C ATOM 1315 C PRO A 79 2.168 2.011 1.200 1.00 45.15 C ATOM 1316 O PRO A 79 0.965 2.245 1.105 1.00 14.55 O ATOM 1317 CB PRO A 79 2.459 2.273 3.679 1.00 3.11 C ATOM 1318 CG PRO A 79 1.557 3.397 4.054 1.00 20.35 C ATOM 1319 CD PRO A 79 2.162 4.634 3.451 1.00 41.04 C ATOM 0 HA PRO A 79 4.024 2.313 2.121 1.00 60.03 H new ATOM 0 HB2 PRO A 79 1.919 1.327 3.642 1.00 3.11 H new ATOM 0 HB3 PRO A 79 3.264 2.152 4.404 1.00 3.11 H new ATOM 0 HG2 PRO A 79 0.549 3.231 3.674 1.00 20.35 H new ATOM 0 HG3 PRO A 79 1.479 3.489 5.137 1.00 20.35 H new ATOM 0 HD2 PRO A 79 1.397 5.350 3.150 1.00 41.04 H new ATOM 0 HD3 PRO A 79 2.818 5.145 4.156 1.00 41.04 H new ATOM 1327 N SER A 80 2.816 1.197 0.370 1.00 32.54 N ATOM 1328 CA SER A 80 2.131 0.522 -0.726 1.00 53.30 C ATOM 1329 C SER A 80 0.993 -0.348 -0.202 1.00 21.43 C ATOM 1330 O SER A 80 0.088 -0.720 -0.948 1.00 22.43 O ATOM 1331 CB SER A 80 3.119 -0.334 -1.520 1.00 30.21 C ATOM 1332 OG SER A 80 3.592 -1.421 -0.742 1.00 43.25 O ATOM 0 H SER A 80 3.813 0.990 0.436 1.00 32.54 H new ATOM 0 HA SER A 80 1.709 1.283 -1.383 1.00 53.30 H new ATOM 0 HB2 SER A 80 2.636 -0.711 -2.421 1.00 30.21 H new ATOM 0 HB3 SER A 80 3.960 0.280 -1.842 1.00 30.21 H new ATOM 0 HG SER A 80 4.370 -1.135 -0.219 1.00 43.25 H new ATOM 1338 N ASN A 81 1.046 -0.669 1.087 1.00 63.01 N ATOM 1339 CA ASN A 81 0.021 -1.495 1.712 1.00 74.31 C ATOM 1340 C ASN A 81 -1.293 -0.730 1.838 1.00 23.33 C ATOM 1341 O ASN A 81 -2.374 -1.320 1.808 1.00 30.42 O ATOM 1342 CB ASN A 81 0.485 -1.965 3.092 1.00 33.11 C ATOM 1343 CG ASN A 81 1.293 -3.246 3.025 1.00 55.10 C ATOM 1344 OD1 ASN A 81 1.538 -3.783 1.944 1.00 3.34 O ATOM 1345 ND2 ASN A 81 1.712 -3.743 4.183 1.00 11.10 N ATOM 0 H ASN A 81 1.789 -0.369 1.719 1.00 63.01 H new ATOM 0 HA ASN A 81 -0.145 -2.365 1.077 1.00 74.31 H new ATOM 0 HB2 ASN A 81 1.086 -1.183 3.556 1.00 33.11 H new ATOM 0 HB3 ASN A 81 -0.384 -2.120 3.731 1.00 33.11 H new ATOM 0 HD21 ASN A 81 2.260 -4.603 4.200 1.00 11.10 H new ATOM 0 HD22 ASN A 81 1.486 -3.265 5.055 1.00 11.10 H new ATOM 1352 N TYR A 82 -1.193 0.587 1.980 1.00 2.23 N ATOM 1353 CA TYR A 82 -2.372 1.434 2.112 1.00 31.24 C ATOM 1354 C TYR A 82 -2.763 2.039 0.768 1.00 51.11 C ATOM 1355 O TYR A 82 -3.697 2.835 0.680 1.00 15.34 O ATOM 1356 CB TYR A 82 -2.114 2.547 3.129 1.00 24.13 C ATOM 1357 CG TYR A 82 -1.909 2.044 4.541 1.00 52.31 C ATOM 1358 CD1 TYR A 82 -0.756 1.355 4.893 1.00 52.32 C ATOM 1359 CD2 TYR A 82 -2.870 2.258 5.522 1.00 64.31 C ATOM 1360 CE1 TYR A 82 -0.564 0.893 6.181 1.00 41.41 C ATOM 1361 CE2 TYR A 82 -2.686 1.801 6.812 1.00 15.01 C ATOM 1362 CZ TYR A 82 -1.533 1.118 7.136 1.00 62.11 C ATOM 1363 OH TYR A 82 -1.346 0.660 8.420 1.00 1.05 O ATOM 0 H TYR A 82 -0.307 1.091 2.007 1.00 2.23 H new ATOM 0 HA TYR A 82 -3.196 0.813 2.463 1.00 31.24 H new ATOM 0 HB2 TYR A 82 -1.233 3.111 2.822 1.00 24.13 H new ATOM 0 HB3 TYR A 82 -2.956 3.240 3.118 1.00 24.13 H new ATOM 0 HD1 TYR A 82 0.004 1.177 4.147 1.00 52.32 H new ATOM 0 HD2 TYR A 82 -3.776 2.790 5.271 1.00 64.31 H new ATOM 0 HE1 TYR A 82 0.339 0.359 6.438 1.00 41.41 H new ATOM 0 HE2 TYR A 82 -3.441 1.978 7.563 1.00 15.01 H new ATOM 0 HH TYR A 82 -1.720 -0.242 8.503 1.00 1.05 H new ATOM 1373 N VAL A 83 -2.040 1.654 -0.279 1.00 14.05 N ATOM 1374 CA VAL A 83 -2.311 2.155 -1.621 1.00 11.32 C ATOM 1375 C VAL A 83 -2.453 1.010 -2.617 1.00 13.03 C ATOM 1376 O VAL A 83 -1.985 -0.100 -2.371 1.00 50.54 O ATOM 1377 CB VAL A 83 -1.196 3.103 -2.102 1.00 33.33 C ATOM 1378 CG1 VAL A 83 -0.128 2.330 -2.860 1.00 3.54 C ATOM 1379 CG2 VAL A 83 -1.777 4.213 -2.965 1.00 65.14 C ATOM 0 H VAL A 83 -1.262 0.997 -0.223 1.00 14.05 H new ATOM 0 HA VAL A 83 -3.250 2.706 -1.569 1.00 11.32 H new ATOM 0 HB VAL A 83 -0.729 3.559 -1.229 1.00 33.33 H new ATOM 0 HG11 VAL A 83 0.651 3.016 -3.192 1.00 3.54 H new ATOM 0 HG12 VAL A 83 0.308 1.575 -2.206 1.00 3.54 H new ATOM 0 HG13 VAL A 83 -0.577 1.844 -3.726 1.00 3.54 H new ATOM 0 HG21 VAL A 83 -0.976 4.874 -3.296 1.00 65.14 H new ATOM 0 HG22 VAL A 83 -2.271 3.778 -3.834 1.00 65.14 H new ATOM 0 HG23 VAL A 83 -2.501 4.784 -2.384 1.00 65.14 H new ATOM 1389 N GLU A 84 -3.105 1.289 -3.742 1.00 34.12 N ATOM 1390 CA GLU A 84 -3.310 0.282 -4.776 1.00 41.04 C ATOM 1391 C GLU A 84 -3.621 0.935 -6.120 1.00 10.01 C ATOM 1392 O GLU A 84 -4.707 1.478 -6.321 1.00 14.30 O ATOM 1393 CB GLU A 84 -4.447 -0.663 -4.381 1.00 21.31 C ATOM 1394 CG GLU A 84 -4.546 -1.898 -5.259 1.00 41.51 C ATOM 1395 CD GLU A 84 -5.885 -2.599 -5.133 1.00 4.13 C ATOM 1396 OE1 GLU A 84 -6.804 -2.016 -4.519 1.00 32.41 O ATOM 1397 OE2 GLU A 84 -6.014 -3.729 -5.648 1.00 3.21 O ATOM 0 H GLU A 84 -3.500 2.204 -3.960 1.00 34.12 H new ATOM 0 HA GLU A 84 -2.388 -0.291 -4.875 1.00 41.04 H new ATOM 0 HB2 GLU A 84 -4.306 -0.974 -3.346 1.00 21.31 H new ATOM 0 HB3 GLU A 84 -5.391 -0.120 -4.425 1.00 21.31 H new ATOM 0 HG2 GLU A 84 -4.386 -1.613 -6.299 1.00 41.51 H new ATOM 0 HG3 GLU A 84 -3.750 -2.593 -4.992 1.00 41.51 H new ATOM 1404 N ARG A 85 -2.659 0.878 -7.034 1.00 43.52 N ATOM 1405 CA ARG A 85 -2.828 1.465 -8.358 1.00 13.31 C ATOM 1406 C ARG A 85 -4.000 0.822 -9.093 1.00 61.43 C ATOM 1407 O ARG A 85 -4.443 -0.272 -8.740 1.00 40.32 O ATOM 1408 CB ARG A 85 -1.547 1.305 -9.179 1.00 63.12 C ATOM 1409 CG ARG A 85 -1.105 -0.140 -9.340 1.00 71.51 C ATOM 1410 CD ARG A 85 0.403 -0.246 -9.506 1.00 73.44 C ATOM 1411 NE ARG A 85 0.967 -1.328 -8.702 1.00 2.03 N ATOM 1412 CZ ARG A 85 2.163 -1.864 -8.926 1.00 0.04 C ATOM 1413 NH1 ARG A 85 2.915 -1.417 -9.922 1.00 60.33 N ATOM 1414 NH2 ARG A 85 2.607 -2.844 -8.151 1.00 51.25 N ATOM 0 H ARG A 85 -1.754 0.432 -6.883 1.00 43.52 H new ATOM 0 HA ARG A 85 -3.039 2.527 -8.232 1.00 13.31 H new ATOM 0 HB2 ARG A 85 -1.701 1.741 -10.166 1.00 63.12 H new ATOM 0 HB3 ARG A 85 -0.746 1.870 -8.702 1.00 63.12 H new ATOM 0 HG2 ARG A 85 -1.418 -0.716 -8.469 1.00 71.51 H new ATOM 0 HG3 ARG A 85 -1.599 -0.578 -10.207 1.00 71.51 H new ATOM 0 HD2 ARG A 85 0.641 -0.413 -10.556 1.00 73.44 H new ATOM 0 HD3 ARG A 85 0.867 0.698 -9.220 1.00 73.44 H new ATOM 0 HE ARG A 85 0.413 -1.692 -7.927 1.00 2.03 H new ATOM 0 HH11 ARG A 85 2.576 -0.661 -10.517 1.00 60.33 H new ATOM 0 HH12 ARG A 85 3.832 -1.829 -10.093 1.00 60.33 H new ATOM 0 HH21 ARG A 85 2.031 -3.187 -7.382 1.00 51.25 H new ATOM 0 HH22 ARG A 85 3.525 -3.255 -8.323 1.00 51.25 H new ATOM 1428 N LYS A 86 -4.499 1.508 -10.116 1.00 70.52 N ATOM 1429 CA LYS A 86 -5.619 1.003 -10.902 1.00 1.14 C ATOM 1430 C LYS A 86 -6.815 0.695 -10.007 1.00 75.41 C ATOM 1431 O LYS A 86 -7.774 0.053 -10.437 1.00 33.55 O ATOM 1432 CB LYS A 86 -5.205 -0.252 -11.670 1.00 13.02 C ATOM 1433 CG LYS A 86 -4.914 0.002 -13.139 1.00 72.04 C ATOM 1434 CD LYS A 86 -3.454 -0.256 -13.470 1.00 14.32 C ATOM 1435 CE LYS A 86 -3.281 -0.710 -14.912 1.00 13.35 C ATOM 1436 NZ LYS A 86 -1.932 -1.295 -15.152 1.00 32.34 N ATOM 0 H LYS A 86 -4.146 2.415 -10.420 1.00 70.52 H new ATOM 0 HA LYS A 86 -5.910 1.776 -11.614 1.00 1.14 H new ATOM 0 HB2 LYS A 86 -4.318 -0.679 -11.201 1.00 13.02 H new ATOM 0 HB3 LYS A 86 -5.998 -0.996 -11.589 1.00 13.02 H new ATOM 0 HG2 LYS A 86 -5.546 -0.640 -13.753 1.00 72.04 H new ATOM 0 HG3 LYS A 86 -5.168 1.032 -13.389 1.00 72.04 H new ATOM 0 HD2 LYS A 86 -2.876 0.652 -13.302 1.00 14.32 H new ATOM 0 HD3 LYS A 86 -3.056 -1.016 -12.798 1.00 14.32 H new ATOM 0 HE2 LYS A 86 -4.045 -1.448 -15.154 1.00 13.35 H new ATOM 0 HE3 LYS A 86 -3.433 0.138 -15.580 1.00 13.35 H new ATOM 0 HZ1 LYS A 86 -1.854 -1.592 -16.146 1.00 32.34 H new ATOM 0 HZ2 LYS A 86 -1.203 -0.583 -14.945 1.00 32.34 H new ATOM 0 HZ3 LYS A 86 -1.796 -2.119 -14.533 1.00 32.34 H new TER 1450 LYS A 86