USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1108 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 89 THR OG1 : rot 180:sc= 0.973 USER MOD Set 1.2: A 97 CYS SG : rot 142:sc= -1.11 USER MOD Set 2.1: A 32 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.62) USER MOD Set 2.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -129:sc= 0 (180deg=-0.0016) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 67:sc= 0.876 USER MOD Single : A 5 LYS NZ :NH3+ -120:sc= -1.56! (180deg=-3.12!) USER MOD Single : A 6 THR OG1 : rot 35:sc= 0.364 USER MOD Single : A 8 GLN : amide:sc= -0.576 K(o=-0.58,f=-3.6!) USER MOD Single : A 10 GLN : amide:sc= 0.328 K(o=0.33,f=-6.7!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.26! USER MOD Single : A 19 ASN : amide:sc= -1.02 K(o=-1,f=-5.9!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.378 USER MOD Single : A 24 ASN : amide:sc= -1.56! C(o=-1.6!,f=-2.8!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.559 USER MOD Single : A 28 GLN : amide:sc= -7.06! C(o=-7.1!,f=-6.7!) USER MOD Single : A 29 LYS NZ :NH3+ -130:sc= -4.39! (180deg=-7.2!) USER MOD Single : A 30 CYS SG : rot -50:sc= -18.2! USER MOD Single : A 39 SER OG : rot -101:sc= 0.0153! USER MOD Single : A 40 HIS : no HE2:sc= -1.63! C(o=-1.6!,f=-3.1!) USER MOD Single : A 48 ASN : amide:sc= -5.46! C(o=-5.5!,f=-2.5!) USER MOD Single : A 52 THR OG1 : rot -156:sc= -2.37! USER MOD Single : A 55 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.73) USER MOD Single : A 57 GLN : amide:sc= -1.9! C(o=-1.9!,f=-3.3!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -149:sc= -1.06 (180deg=-2.91!) USER MOD Single : A 61 THR OG1 : rot -98:sc= 0.766 USER MOD Single : A 62 SER OG : rot 77:sc= 0.114 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.0038) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -6.96! C(o=-7!,f=-8.3!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -160:sc= -7.4! USER MOD Single : A 82 LYS NZ :NH3+ -156:sc= -0.0328 (180deg=-0.257) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.0863 X(o=-0.086,f=-0.0047) USER MOD Single : A 86 THR OG1 : rot 180:sc= -1.19! USER MOD Single : A 92 MET CE :methyl -143:sc= -17.4! (180deg=-22.9!) USER MOD Single : A 95 GLN : amide:sc= -8.66! C(o=-8.7!,f=-15!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -1.94! C(o=-1.9!,f=-10!) USER MOD Single : A 104 ASN : amide:sc= 0.172! C(o=0.17!,f=-5.6!) USER MOD Single : A 106 LYS NZ :NH3+ -179:sc= 0.532 (180deg=0.462) USER MOD Single : A 115 ASN : amide:sc= -10.6! C(o=-11!,f=-21!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= 0.302 K(o=0.3,f=-4.1!) USER MOD Single : A 127 LYS NZ :NH3+ 164:sc=-0.00643 (180deg=-0.19) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -10! C(o=-10!,f=-18!) USER MOD Single : A 133 LYS NZ :NH3+ 155:sc= -5.21! (180deg=-8.45!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.391 -3.394 15.568 1.00 0.00 N ATOM 2 CA MET A 1 21.494 -3.410 14.119 1.00 0.00 C ATOM 3 C MET A 1 21.132 -4.787 13.558 1.00 0.00 C ATOM 4 O MET A 1 21.852 -5.759 13.781 1.00 0.00 O ATOM 5 CB MET A 1 22.921 -3.048 13.704 1.00 0.00 C ATOM 6 CG MET A 1 23.079 -1.534 13.545 1.00 0.00 C ATOM 7 SD MET A 1 24.137 -0.892 14.831 1.00 0.00 S ATOM 8 CE MET A 1 25.727 -1.420 14.214 1.00 0.00 C ATOM 0 H1 MET A 1 21.642 -2.449 15.923 1.00 0.00 H new ATOM 0 H2 MET A 1 20.416 -3.622 15.849 1.00 0.00 H new ATOM 0 H3 MET A 1 22.041 -4.099 15.970 1.00 0.00 H new ATOM 0 HA MET A 1 20.793 -2.679 13.716 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.625 -3.414 14.452 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.167 -3.543 12.765 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.502 -1.305 12.567 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.103 -1.051 13.591 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.267 -1.944 15.002 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.584 -2.089 13.365 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.302 -0.550 13.897 1.00 0.00 H new ATOM 18 N SER A 2 20.018 -4.825 12.842 1.00 0.00 N ATOM 19 CA SER A 2 19.553 -6.067 12.248 1.00 0.00 C ATOM 20 C SER A 2 18.064 -5.961 11.913 1.00 0.00 C ATOM 21 O SER A 2 17.417 -4.972 12.252 1.00 0.00 O ATOM 22 CB SER A 2 19.805 -7.252 13.182 1.00 0.00 C ATOM 23 OG SER A 2 20.974 -7.981 12.818 1.00 0.00 O ATOM 0 H SER A 2 19.424 -4.016 12.660 1.00 0.00 H new ATOM 0 HA SER A 2 20.114 -6.238 11.329 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.907 -6.891 14.205 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.942 -7.918 13.163 1.00 0.00 H new ATOM 0 HG SER A 2 21.767 -7.424 12.968 1.00 0.00 H new ATOM 29 N PHE A 3 17.564 -6.995 11.253 1.00 0.00 N ATOM 30 CA PHE A 3 16.163 -7.031 10.868 1.00 0.00 C ATOM 31 C PHE A 3 15.690 -5.657 10.390 1.00 0.00 C ATOM 32 O PHE A 3 14.758 -5.086 10.954 1.00 0.00 O ATOM 33 CB PHE A 3 15.368 -7.426 12.114 1.00 0.00 C ATOM 34 CG PHE A 3 15.362 -8.929 12.398 1.00 0.00 C ATOM 35 CD1 PHE A 3 15.061 -9.808 11.405 1.00 0.00 C ATOM 36 CD2 PHE A 3 15.658 -9.387 13.645 1.00 0.00 C ATOM 37 CE1 PHE A 3 15.056 -11.203 11.669 1.00 0.00 C ATOM 38 CE2 PHE A 3 15.652 -10.782 13.908 1.00 0.00 C ATOM 39 CZ PHE A 3 15.352 -11.661 12.915 1.00 0.00 C ATOM 0 H PHE A 3 18.104 -7.814 10.975 1.00 0.00 H new ATOM 0 HA PHE A 3 16.019 -7.739 10.052 1.00 0.00 H new ATOM 0 HB2 PHE A 3 15.783 -6.905 12.977 1.00 0.00 H new ATOM 0 HB3 PHE A 3 14.339 -7.084 11.999 1.00 0.00 H new ATOM 0 HD1 PHE A 3 14.826 -9.445 10.415 1.00 0.00 H new ATOM 0 HD2 PHE A 3 15.897 -8.689 14.434 1.00 0.00 H new ATOM 0 HE1 PHE A 3 14.817 -11.901 10.880 1.00 0.00 H new ATOM 0 HE2 PHE A 3 15.886 -11.145 14.898 1.00 0.00 H new ATOM 0 HZ PHE A 3 15.349 -12.722 13.116 1.00 0.00 H new ATOM 49 N TRP A 4 16.356 -5.164 9.355 1.00 0.00 N ATOM 50 CA TRP A 4 16.015 -3.868 8.795 1.00 0.00 C ATOM 51 C TRP A 4 14.822 -4.057 7.856 1.00 0.00 C ATOM 52 O TRP A 4 13.865 -3.285 7.900 1.00 0.00 O ATOM 53 CB TRP A 4 17.224 -3.234 8.104 1.00 0.00 C ATOM 54 CG TRP A 4 17.467 -1.774 8.491 1.00 0.00 C ATOM 55 CD1 TRP A 4 16.556 -0.818 8.716 1.00 0.00 C ATOM 56 CD2 TRP A 4 18.748 -1.139 8.689 1.00 0.00 C ATOM 57 NE1 TRP A 4 17.153 0.383 9.043 1.00 0.00 N ATOM 58 CE2 TRP A 4 18.528 0.181 9.027 1.00 0.00 C ATOM 59 CE3 TRP A 4 20.049 -1.662 8.586 1.00 0.00 C ATOM 60 CZ2 TRP A 4 19.563 1.088 9.289 1.00 0.00 C ATOM 61 CZ3 TRP A 4 21.071 -0.743 8.852 1.00 0.00 C ATOM 62 CH2 TRP A 4 20.867 0.588 9.193 1.00 0.00 C ATOM 0 H TRP A 4 17.130 -5.639 8.890 1.00 0.00 H new ATOM 0 HA TRP A 4 15.731 -3.171 9.583 1.00 0.00 H new ATOM 0 HB2 TRP A 4 18.114 -3.816 8.345 1.00 0.00 H new ATOM 0 HB3 TRP A 4 17.086 -3.295 7.025 1.00 0.00 H new ATOM 0 HD1 TRP A 4 15.489 -0.968 8.650 1.00 0.00 H new ATOM 0 HE1 TRP A 4 16.673 1.257 9.257 1.00 0.00 H new ATOM 0 HE3 TRP A 4 20.244 -2.691 8.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 19.366 2.117 9.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 22.090 -1.094 8.788 1.00 0.00 H new ATOM 0 HH2 TRP A 4 21.711 1.234 9.383 1.00 0.00 H new ATOM 73 N LYS A 5 14.917 -5.088 7.030 1.00 0.00 N ATOM 74 CA LYS A 5 13.858 -5.388 6.082 1.00 0.00 C ATOM 75 C LYS A 5 12.631 -5.899 6.841 1.00 0.00 C ATOM 76 O LYS A 5 11.507 -5.483 6.563 1.00 0.00 O ATOM 77 CB LYS A 5 14.360 -6.352 5.005 1.00 0.00 C ATOM 78 CG LYS A 5 14.592 -5.621 3.681 1.00 0.00 C ATOM 79 CD LYS A 5 15.212 -4.242 3.918 1.00 0.00 C ATOM 80 CE LYS A 5 16.500 -4.073 3.109 1.00 0.00 C ATOM 81 NZ LYS A 5 16.841 -2.640 2.970 1.00 0.00 N ATOM 0 H LYS A 5 15.712 -5.727 6.998 1.00 0.00 H new ATOM 0 HA LYS A 5 13.554 -4.485 5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.288 -6.819 5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.634 -7.152 4.861 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.248 -6.214 3.044 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.646 -5.512 3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.499 -3.466 3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.425 -4.113 4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 5 17.317 -4.601 3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.378 -4.521 2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.864 -2.385 1.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.125 -2.064 3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.774 -2.462 3.394 1.00 0.00 H new ATOM 95 N THR A 6 12.888 -6.794 7.783 1.00 0.00 N ATOM 96 CA THR A 6 11.818 -7.366 8.584 1.00 0.00 C ATOM 97 C THR A 6 12.194 -7.348 10.067 1.00 0.00 C ATOM 98 O THR A 6 13.040 -8.126 10.506 1.00 0.00 O ATOM 99 CB THR A 6 11.525 -8.768 8.048 1.00 0.00 C ATOM 100 OG1 THR A 6 12.634 -9.547 8.489 1.00 0.00 O ATOM 101 CG2 THR A 6 11.603 -8.840 6.522 1.00 0.00 C ATOM 0 H THR A 6 13.821 -7.138 8.010 1.00 0.00 H new ATOM 0 HA THR A 6 10.905 -6.775 8.506 1.00 0.00 H new ATOM 0 HB THR A 6 10.534 -9.082 8.376 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.923 -9.235 9.372 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.387 -9.857 6.194 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.874 -8.156 6.088 1.00 0.00 H new ATOM 0 HG23 THR A 6 12.604 -8.559 6.195 1.00 0.00 H new ATOM 109 N LEU A 7 11.548 -6.452 10.798 1.00 0.00 N ATOM 110 CA LEU A 7 11.803 -6.323 12.222 1.00 0.00 C ATOM 111 C LEU A 7 12.016 -7.712 12.826 1.00 0.00 C ATOM 112 O LEU A 7 12.961 -7.926 13.584 1.00 0.00 O ATOM 113 CB LEU A 7 10.687 -5.523 12.897 1.00 0.00 C ATOM 114 CG LEU A 7 10.099 -4.371 12.079 1.00 0.00 C ATOM 115 CD1 LEU A 7 8.946 -4.857 11.198 1.00 0.00 C ATOM 116 CD2 LEU A 7 9.677 -3.214 12.987 1.00 0.00 C ATOM 0 H LEU A 7 10.848 -5.808 10.430 1.00 0.00 H new ATOM 0 HA LEU A 7 12.718 -5.756 12.395 1.00 0.00 H new ATOM 0 HB2 LEU A 7 9.880 -6.209 13.154 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.072 -5.118 13.833 1.00 0.00 H new ATOM 0 HG LEU A 7 10.876 -3.993 11.414 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.546 -4.019 10.627 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.310 -5.622 10.512 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.160 -5.276 11.826 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.263 -2.408 12.381 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.923 -3.562 13.693 1.00 0.00 H new ATOM 0 HD23 LEU A 7 10.545 -2.846 13.535 1.00 0.00 H new ATOM 128 N GLN A 8 11.121 -8.621 12.468 1.00 0.00 N ATOM 129 CA GLN A 8 11.199 -9.984 12.964 1.00 0.00 C ATOM 130 C GLN A 8 10.734 -10.969 11.889 1.00 0.00 C ATOM 131 O GLN A 8 9.661 -10.800 11.311 1.00 0.00 O ATOM 132 CB GLN A 8 10.382 -10.148 14.248 1.00 0.00 C ATOM 133 CG GLN A 8 11.166 -10.935 15.300 1.00 0.00 C ATOM 134 CD GLN A 8 10.246 -11.881 16.074 1.00 0.00 C ATOM 135 OE1 GLN A 8 10.248 -13.086 15.881 1.00 0.00 O ATOM 136 NE2 GLN A 8 9.463 -11.271 16.959 1.00 0.00 N ATOM 0 H GLN A 8 10.338 -8.440 11.840 1.00 0.00 H new ATOM 0 HA GLN A 8 12.240 -10.203 13.203 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.119 -9.167 14.644 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.447 -10.663 14.025 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.958 -11.507 14.816 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.648 -10.244 15.992 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.512 -10.258 17.070 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.814 -11.816 17.526 1.00 0.00 H new ATOM 145 N ARG A 9 11.563 -11.975 11.654 1.00 0.00 N ATOM 146 CA ARG A 9 11.250 -12.986 10.659 1.00 0.00 C ATOM 147 C ARG A 9 11.091 -12.342 9.280 1.00 0.00 C ATOM 148 O ARG A 9 10.427 -11.316 9.143 1.00 0.00 O ATOM 149 CB ARG A 9 9.963 -13.732 11.018 1.00 0.00 C ATOM 150 CG ARG A 9 10.263 -14.959 11.881 1.00 0.00 C ATOM 151 CD ARG A 9 9.931 -14.690 13.350 1.00 0.00 C ATOM 152 NE ARG A 9 10.000 -15.950 14.124 1.00 0.00 N ATOM 153 CZ ARG A 9 11.130 -16.455 14.638 1.00 0.00 C ATOM 154 NH1 ARG A 9 12.291 -15.810 14.465 1.00 0.00 N ATOM 155 NH2 ARG A 9 11.097 -17.604 15.326 1.00 0.00 N ATOM 0 H ARG A 9 12.452 -12.112 12.136 1.00 0.00 H new ATOM 0 HA ARG A 9 12.075 -13.698 10.638 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.288 -13.063 11.552 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.451 -14.040 10.107 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.684 -15.810 11.523 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.315 -15.227 11.785 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.630 -13.962 13.762 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.934 -14.257 13.433 1.00 0.00 H new ATOM 0 HE ARG A 9 9.133 -16.466 14.276 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.315 -14.935 13.942 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.151 -16.194 14.856 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.212 -18.094 15.458 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.957 -17.989 15.717 1.00 0.00 H new ATOM 169 N GLN A 10 11.712 -12.972 8.293 1.00 0.00 N ATOM 170 CA GLN A 10 11.648 -12.473 6.930 1.00 0.00 C ATOM 171 C GLN A 10 10.488 -13.130 6.179 1.00 0.00 C ATOM 172 O GLN A 10 10.366 -14.354 6.167 1.00 0.00 O ATOM 173 CB GLN A 10 12.973 -12.701 6.200 1.00 0.00 C ATOM 174 CG GLN A 10 14.157 -12.251 7.059 1.00 0.00 C ATOM 175 CD GLN A 10 14.787 -13.438 7.790 1.00 0.00 C ATOM 176 OE1 GLN A 10 14.155 -14.121 8.579 1.00 0.00 O ATOM 177 NE2 GLN A 10 16.064 -13.645 7.484 1.00 0.00 N ATOM 0 H GLN A 10 12.262 -13.823 8.410 1.00 0.00 H new ATOM 0 HA GLN A 10 11.471 -11.398 6.965 1.00 0.00 H new ATOM 0 HB2 GLN A 10 13.079 -13.757 5.953 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.973 -12.152 5.258 1.00 0.00 H new ATOM 0 HG2 GLN A 10 14.905 -11.769 6.430 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.823 -11.508 7.784 1.00 0.00 H new ATOM 0 HE21 GLN A 10 16.533 -13.035 6.815 1.00 0.00 H new ATOM 0 HE22 GLN A 10 16.574 -14.414 7.919 1.00 0.00 H new ATOM 186 N PRO A 11 9.645 -12.266 5.554 1.00 0.00 N ATOM 187 CA PRO A 11 8.499 -12.749 4.802 1.00 0.00 C ATOM 188 C PRO A 11 8.935 -13.346 3.463 1.00 0.00 C ATOM 189 O PRO A 11 10.089 -13.740 3.301 1.00 0.00 O ATOM 190 CB PRO A 11 7.592 -11.540 4.647 1.00 0.00 C ATOM 191 CG PRO A 11 8.468 -10.325 4.908 1.00 0.00 C ATOM 192 CD PRO A 11 9.759 -10.810 5.547 1.00 0.00 C ATOM 0 HA PRO A 11 7.975 -13.560 5.308 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.159 -11.502 3.647 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.762 -11.582 5.352 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.677 -9.798 3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.958 -9.621 5.565 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.629 -10.484 4.978 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.873 -10.417 6.557 1.00 0.00 H new ATOM 200 N ARG A 12 7.989 -13.394 2.537 1.00 0.00 N ATOM 201 CA ARG A 12 8.260 -13.936 1.216 1.00 0.00 C ATOM 202 C ARG A 12 7.434 -13.200 0.160 1.00 0.00 C ATOM 203 O ARG A 12 7.932 -12.898 -0.923 1.00 0.00 O ATOM 204 CB ARG A 12 7.936 -15.430 1.157 1.00 0.00 C ATOM 205 CG ARG A 12 8.957 -16.179 0.297 1.00 0.00 C ATOM 206 CD ARG A 12 10.158 -16.624 1.135 1.00 0.00 C ATOM 207 NE ARG A 12 10.184 -18.100 1.239 1.00 0.00 N ATOM 208 CZ ARG A 12 10.932 -18.778 2.119 1.00 0.00 C ATOM 209 NH1 ARG A 12 11.720 -18.117 2.978 1.00 0.00 N ATOM 210 NH2 ARG A 12 10.892 -20.117 2.142 1.00 0.00 N ATOM 0 H ARG A 12 7.033 -13.066 2.675 1.00 0.00 H new ATOM 0 HA ARG A 12 9.322 -13.797 1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.930 -15.845 2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.936 -15.573 0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.485 -17.049 -0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.294 -15.536 -0.516 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.082 -16.267 0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.101 -16.182 2.130 1.00 0.00 H new ATOM 0 HE ARG A 12 9.595 -18.635 0.600 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.750 -17.098 2.962 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.290 -18.633 3.648 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.292 -20.621 1.489 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.462 -20.633 2.812 1.00 0.00 H new ATOM 224 N THR A 13 6.185 -12.932 0.512 1.00 0.00 N ATOM 225 CA THR A 13 5.285 -12.237 -0.392 1.00 0.00 C ATOM 226 C THR A 13 5.013 -10.819 0.112 1.00 0.00 C ATOM 227 O THR A 13 4.448 -10.637 1.190 1.00 0.00 O ATOM 228 CB THR A 13 4.019 -13.083 -0.542 1.00 0.00 C ATOM 229 OG1 THR A 13 4.465 -14.261 -1.207 1.00 0.00 O ATOM 230 CG2 THR A 13 3.013 -12.464 -1.514 1.00 0.00 C ATOM 0 H THR A 13 5.775 -13.184 1.411 1.00 0.00 H new ATOM 0 HA THR A 13 5.731 -12.117 -1.379 1.00 0.00 H new ATOM 0 HB THR A 13 3.550 -13.210 0.434 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.707 -14.867 -1.343 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.133 -13.104 -1.584 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.717 -11.479 -1.153 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.470 -12.367 -2.499 1.00 0.00 H new ATOM 238 N ILE A 14 5.426 -9.850 -0.691 1.00 0.00 N ATOM 239 CA ILE A 14 5.234 -8.453 -0.339 1.00 0.00 C ATOM 240 C ILE A 14 4.007 -7.910 -1.075 1.00 0.00 C ATOM 241 O ILE A 14 4.007 -7.815 -2.302 1.00 0.00 O ATOM 242 CB ILE A 14 6.512 -7.653 -0.601 1.00 0.00 C ATOM 243 CG1 ILE A 14 7.754 -8.518 -0.379 1.00 0.00 C ATOM 244 CG2 ILE A 14 6.543 -6.378 0.243 1.00 0.00 C ATOM 245 CD1 ILE A 14 7.855 -8.970 1.079 1.00 0.00 C ATOM 0 H ILE A 14 5.893 -10.004 -1.585 1.00 0.00 H new ATOM 0 HA ILE A 14 5.037 -8.353 0.728 1.00 0.00 H new ATOM 0 HB ILE A 14 6.516 -7.346 -1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.715 -9.390 -1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.647 -7.955 -0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.461 -5.828 0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.684 -5.755 -0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.506 -6.641 1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 14 8.747 -9.583 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.918 -8.096 1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.972 -9.553 1.341 1.00 0.00 H new ATOM 257 N SER A 15 2.991 -7.570 -0.296 1.00 0.00 N ATOM 258 CA SER A 15 1.761 -7.039 -0.859 1.00 0.00 C ATOM 259 C SER A 15 1.749 -5.513 -0.746 1.00 0.00 C ATOM 260 O SER A 15 1.447 -4.968 0.315 1.00 0.00 O ATOM 261 CB SER A 15 0.536 -7.633 -0.161 1.00 0.00 C ATOM 262 OG SER A 15 -0.172 -8.538 -1.004 1.00 0.00 O ATOM 0 H SER A 15 2.994 -7.652 0.721 1.00 0.00 H new ATOM 0 HA SER A 15 1.718 -7.318 -1.912 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.851 -8.152 0.745 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.131 -6.828 0.148 1.00 0.00 H new ATOM 0 HG SER A 15 -0.946 -8.897 -0.522 1.00 0.00 H new ATOM 268 N LEU A 16 2.083 -4.867 -1.853 1.00 0.00 N ATOM 269 CA LEU A 16 2.114 -3.415 -1.892 1.00 0.00 C ATOM 270 C LEU A 16 1.109 -2.915 -2.932 1.00 0.00 C ATOM 271 O LEU A 16 1.166 -3.311 -4.095 1.00 0.00 O ATOM 272 CB LEU A 16 3.541 -2.916 -2.126 1.00 0.00 C ATOM 273 CG LEU A 16 3.673 -1.583 -2.865 1.00 0.00 C ATOM 274 CD1 LEU A 16 3.019 -0.450 -2.072 1.00 0.00 C ATOM 275 CD2 LEU A 16 5.136 -1.281 -3.195 1.00 0.00 C ATOM 0 H LEU A 16 2.335 -5.323 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 16 1.810 -3.002 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.035 -2.823 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.083 -3.676 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 16 3.140 -1.663 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.127 0.487 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.960 -0.668 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.503 -0.360 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.201 -0.328 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.714 -1.227 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.537 -2.072 -3.828 1.00 0.00 H new ATOM 287 N PHE A 17 0.213 -2.053 -2.475 1.00 0.00 N ATOM 288 CA PHE A 17 -0.802 -1.494 -3.352 1.00 0.00 C ATOM 289 C PHE A 17 -0.379 -0.121 -3.877 1.00 0.00 C ATOM 290 O PHE A 17 0.393 0.584 -3.229 1.00 0.00 O ATOM 291 CB PHE A 17 -2.076 -1.338 -2.518 1.00 0.00 C ATOM 292 CG PHE A 17 -2.343 -2.506 -1.566 1.00 0.00 C ATOM 293 CD1 PHE A 17 -1.845 -3.740 -1.847 1.00 0.00 C ATOM 294 CD2 PHE A 17 -3.079 -2.310 -0.439 1.00 0.00 C ATOM 295 CE1 PHE A 17 -2.094 -4.824 -0.963 1.00 0.00 C ATOM 296 CE2 PHE A 17 -3.327 -3.393 0.444 1.00 0.00 C ATOM 297 CZ PHE A 17 -2.829 -4.627 0.164 1.00 0.00 C ATOM 0 H PHE A 17 0.169 -1.728 -1.509 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.954 -2.149 -4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.008 -0.418 -1.938 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.927 -1.229 -3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.261 -3.896 -2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.475 -1.330 -0.216 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.700 -5.804 -1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.911 -3.237 1.339 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.017 -5.451 0.837 1.00 0.00 H new ATOM 307 N THR A 18 -0.904 0.218 -5.045 1.00 0.00 N ATOM 308 CA THR A 18 -0.590 1.494 -5.664 1.00 0.00 C ATOM 309 C THR A 18 -1.777 2.452 -5.544 1.00 0.00 C ATOM 310 O THR A 18 -2.930 2.030 -5.621 1.00 0.00 O ATOM 311 CB THR A 18 -0.169 1.227 -7.111 1.00 0.00 C ATOM 312 OG1 THR A 18 1.217 0.911 -7.016 1.00 0.00 O ATOM 313 CG2 THR A 18 -0.205 2.490 -7.974 1.00 0.00 C ATOM 0 H THR A 18 -1.545 -0.369 -5.579 1.00 0.00 H new ATOM 0 HA THR A 18 0.238 1.987 -5.155 1.00 0.00 H new ATOM 0 HB THR A 18 -0.823 0.472 -7.546 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.571 0.722 -7.910 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.102 2.245 -8.991 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.218 2.892 -7.988 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.475 3.234 -7.559 1.00 0.00 H new ATOM 321 N ASN A 19 -1.454 3.723 -5.357 1.00 0.00 N ATOM 322 CA ASN A 19 -2.480 4.744 -5.225 1.00 0.00 C ATOM 323 C ASN A 19 -2.025 6.014 -5.948 1.00 0.00 C ATOM 324 O ASN A 19 -1.692 7.010 -5.308 1.00 0.00 O ATOM 325 CB ASN A 19 -2.721 5.096 -3.756 1.00 0.00 C ATOM 326 CG ASN A 19 -2.646 3.849 -2.873 1.00 0.00 C ATOM 327 OD1 ASN A 19 -3.646 3.304 -2.437 1.00 0.00 O ATOM 328 ND2 ASN A 19 -1.407 3.428 -2.636 1.00 0.00 N ATOM 0 H ASN A 19 -0.497 4.069 -5.294 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.401 4.355 -5.658 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.980 5.824 -3.427 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.699 5.565 -3.647 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.251 2.602 -2.058 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.613 3.931 -3.032 1.00 0.00 H new ATOM 335 N ASP A 20 -2.026 5.936 -7.270 1.00 0.00 N ATOM 336 CA ASP A 20 -1.618 7.067 -8.086 1.00 0.00 C ATOM 337 C ASP A 20 -0.273 7.594 -7.584 1.00 0.00 C ATOM 338 O ASP A 20 0.204 7.181 -6.528 1.00 0.00 O ATOM 339 CB ASP A 20 -2.635 8.206 -7.997 1.00 0.00 C ATOM 340 CG ASP A 20 -2.262 9.469 -8.777 1.00 0.00 C ATOM 341 OD1 ASP A 20 -1.508 10.286 -8.206 1.00 0.00 O ATOM 342 OD2 ASP A 20 -2.739 9.589 -9.926 1.00 0.00 O ATOM 0 H ASP A 20 -2.303 5.108 -7.797 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.546 6.728 -9.119 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.597 7.844 -8.360 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.770 8.471 -6.948 1.00 0.00 H new ATOM 347 N ILE A 21 0.301 8.499 -8.363 1.00 0.00 N ATOM 348 CA ILE A 21 1.582 9.087 -8.010 1.00 0.00 C ATOM 349 C ILE A 21 1.986 10.099 -9.083 1.00 0.00 C ATOM 350 O ILE A 21 1.534 11.243 -9.065 1.00 0.00 O ATOM 351 CB ILE A 21 2.625 7.994 -7.771 1.00 0.00 C ATOM 352 CG1 ILE A 21 2.143 6.647 -8.315 1.00 0.00 C ATOM 353 CG2 ILE A 21 3.005 7.912 -6.291 1.00 0.00 C ATOM 354 CD1 ILE A 21 3.064 6.145 -9.429 1.00 0.00 C ATOM 0 H ILE A 21 -0.098 8.840 -9.238 1.00 0.00 H new ATOM 0 HA ILE A 21 1.505 9.633 -7.070 1.00 0.00 H new ATOM 0 HB ILE A 21 3.528 8.258 -8.321 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.110 5.915 -7.508 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.127 6.747 -8.696 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.748 7.127 -6.149 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.420 8.867 -5.968 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.118 7.683 -5.700 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.699 5.186 -9.798 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.075 6.868 -10.245 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.074 6.023 -9.038 1.00 0.00 H new ATOM 366 N ALA A 22 2.835 9.643 -9.993 1.00 0.00 N ATOM 367 CA ALA A 22 3.306 10.494 -11.072 1.00 0.00 C ATOM 368 C ALA A 22 3.163 9.751 -12.402 1.00 0.00 C ATOM 369 O ALA A 22 2.210 8.999 -12.597 1.00 0.00 O ATOM 370 CB ALA A 22 4.749 10.920 -10.794 1.00 0.00 C ATOM 0 H ALA A 22 3.209 8.694 -10.005 1.00 0.00 H new ATOM 0 HA ALA A 22 2.705 11.401 -11.135 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.102 11.559 -11.604 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.791 11.470 -9.854 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.383 10.036 -10.726 1.00 0.00 H new ATOM 376 N SER A 23 4.125 9.989 -13.281 1.00 0.00 N ATOM 377 CA SER A 23 4.119 9.351 -14.587 1.00 0.00 C ATOM 378 C SER A 23 3.312 8.052 -14.531 1.00 0.00 C ATOM 379 O SER A 23 2.128 8.038 -14.866 1.00 0.00 O ATOM 380 CB SER A 23 5.543 9.071 -15.070 1.00 0.00 C ATOM 381 OG SER A 23 5.597 7.953 -15.953 1.00 0.00 O ATOM 0 H SER A 23 4.914 10.614 -13.115 1.00 0.00 H new ATOM 0 HA SER A 23 3.651 10.032 -15.298 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.934 9.953 -15.577 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.188 8.886 -14.211 1.00 0.00 H new ATOM 0 HG SER A 23 6.523 7.808 -16.241 1.00 0.00 H new ATOM 387 N ASN A 24 3.985 6.993 -14.106 1.00 0.00 N ATOM 388 CA ASN A 24 3.345 5.693 -14.003 1.00 0.00 C ATOM 389 C ASN A 24 2.722 5.545 -12.613 1.00 0.00 C ATOM 390 O ASN A 24 3.399 5.150 -11.664 1.00 0.00 O ATOM 391 CB ASN A 24 4.360 4.563 -14.189 1.00 0.00 C ATOM 392 CG ASN A 24 4.048 3.746 -15.444 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.015 3.106 -15.558 1.00 0.00 O ATOM 394 ND2 ASN A 24 4.994 3.803 -16.376 1.00 0.00 N ATOM 0 H ASN A 24 4.967 7.009 -13.829 1.00 0.00 H new ATOM 0 HA ASN A 24 2.586 5.628 -14.783 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.364 4.980 -14.263 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.349 3.912 -13.315 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.879 3.292 -17.251 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.835 4.358 -16.216 1.00 0.00 H new ATOM 401 N ILE A 25 1.440 5.869 -12.537 1.00 0.00 N ATOM 402 CA ILE A 25 0.719 5.777 -11.279 1.00 0.00 C ATOM 403 C ILE A 25 1.110 4.482 -10.564 1.00 0.00 C ATOM 404 O ILE A 25 1.221 4.453 -9.340 1.00 0.00 O ATOM 405 CB ILE A 25 -0.787 5.919 -11.513 1.00 0.00 C ATOM 406 CG1 ILE A 25 -1.228 7.377 -11.372 1.00 0.00 C ATOM 407 CG2 ILE A 25 -1.575 4.990 -10.588 1.00 0.00 C ATOM 408 CD1 ILE A 25 -0.773 8.206 -12.575 1.00 0.00 C ATOM 0 H ILE A 25 0.882 6.196 -13.326 1.00 0.00 H new ATOM 0 HA ILE A 25 0.996 6.601 -10.621 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.004 5.614 -12.537 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.313 7.425 -11.282 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.813 7.799 -10.457 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.642 5.110 -10.774 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.288 3.956 -10.780 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.358 5.240 -9.550 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.099 9.238 -12.450 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.314 8.175 -12.648 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.209 7.796 -13.486 1.00 0.00 H new ATOM 420 N LYS A 26 1.310 3.441 -11.361 1.00 0.00 N ATOM 421 CA LYS A 26 1.687 2.146 -10.820 1.00 0.00 C ATOM 422 C LYS A 26 3.206 2.096 -10.642 1.00 0.00 C ATOM 423 O LYS A 26 3.698 1.921 -9.529 1.00 0.00 O ATOM 424 CB LYS A 26 1.131 1.019 -11.692 1.00 0.00 C ATOM 425 CG LYS A 26 -0.153 1.455 -12.400 1.00 0.00 C ATOM 426 CD LYS A 26 0.129 1.860 -13.848 1.00 0.00 C ATOM 427 CE LYS A 26 -0.632 3.135 -14.220 1.00 0.00 C ATOM 428 NZ LYS A 26 -1.793 2.813 -15.079 1.00 0.00 N ATOM 0 H LYS A 26 1.218 3.469 -12.376 1.00 0.00 H new ATOM 0 HA LYS A 26 1.246 2.001 -9.834 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.876 0.725 -12.431 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.931 0.143 -11.076 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.877 0.641 -12.381 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.601 2.293 -11.865 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.199 2.019 -13.983 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.161 1.051 -14.519 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.970 3.641 -13.316 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.033 3.824 -14.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.298 3.689 -15.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.463 2.350 -15.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.435 2.173 -14.569 1.00 0.00 H new ATOM 442 N SER A 27 3.905 2.251 -11.756 1.00 0.00 N ATOM 443 CA SER A 27 5.358 2.225 -11.738 1.00 0.00 C ATOM 444 C SER A 27 5.887 3.249 -10.731 1.00 0.00 C ATOM 445 O SER A 27 6.451 2.880 -9.703 1.00 0.00 O ATOM 446 CB SER A 27 5.932 2.503 -13.129 1.00 0.00 C ATOM 447 OG SER A 27 7.067 1.689 -13.410 1.00 0.00 O ATOM 0 H SER A 27 3.492 2.395 -12.678 1.00 0.00 H new ATOM 0 HA SER A 27 5.678 1.228 -11.436 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.163 2.325 -13.881 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.212 3.554 -13.202 1.00 0.00 H new ATOM 0 HG SER A 27 7.403 1.895 -14.307 1.00 0.00 H new ATOM 453 N GLN A 28 5.686 4.516 -11.063 1.00 0.00 N ATOM 454 CA GLN A 28 6.135 5.596 -10.201 1.00 0.00 C ATOM 455 C GLN A 28 5.808 5.280 -8.741 1.00 0.00 C ATOM 456 O GLN A 28 6.478 5.767 -7.831 1.00 0.00 O ATOM 457 CB GLN A 28 5.518 6.930 -10.626 1.00 0.00 C ATOM 458 CG GLN A 28 5.684 7.984 -9.530 1.00 0.00 C ATOM 459 CD GLN A 28 7.148 8.410 -9.396 1.00 0.00 C ATOM 460 OE1 GLN A 28 7.710 9.070 -10.254 1.00 0.00 O ATOM 461 NE2 GLN A 28 7.731 7.996 -8.275 1.00 0.00 N ATOM 0 H GLN A 28 5.218 4.819 -11.917 1.00 0.00 H new ATOM 0 HA GLN A 28 7.217 5.687 -10.299 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.991 7.277 -11.544 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.459 6.792 -10.845 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.068 8.853 -9.760 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.329 7.585 -8.580 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.202 7.446 -7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.707 8.228 -8.092 1.00 0.00 H new ATOM 470 N LYS A 29 4.777 4.468 -8.561 1.00 0.00 N ATOM 471 CA LYS A 29 4.352 4.081 -7.226 1.00 0.00 C ATOM 472 C LYS A 29 5.522 3.420 -6.495 1.00 0.00 C ATOM 473 O LYS A 29 6.228 4.072 -5.727 1.00 0.00 O ATOM 474 CB LYS A 29 3.097 3.209 -7.294 1.00 0.00 C ATOM 475 CG LYS A 29 2.093 3.608 -6.211 1.00 0.00 C ATOM 476 CD LYS A 29 2.762 3.661 -4.836 1.00 0.00 C ATOM 477 CE LYS A 29 3.138 5.097 -4.465 1.00 0.00 C ATOM 478 NZ LYS A 29 4.603 5.221 -4.295 1.00 0.00 N ATOM 0 H LYS A 29 4.223 4.067 -9.318 1.00 0.00 H new ATOM 0 HA LYS A 29 4.069 4.960 -6.647 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.635 3.306 -8.277 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.371 2.161 -7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.664 4.582 -6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.270 2.893 -6.192 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.088 3.252 -4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.655 3.036 -4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.797 5.781 -5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.633 5.385 -3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.809 5.692 -3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.034 4.275 -4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.997 5.784 -5.076 1.00 0.00 H new ATOM 492 N CYS A 30 5.692 2.133 -6.759 1.00 0.00 N ATOM 493 CA CYS A 30 6.764 1.376 -6.136 1.00 0.00 C ATOM 494 C CYS A 30 7.958 1.357 -7.092 1.00 0.00 C ATOM 495 O CYS A 30 9.078 1.677 -6.697 1.00 0.00 O ATOM 496 CB CYS A 30 6.313 -0.037 -5.758 1.00 0.00 C ATOM 497 SG CYS A 30 4.486 -0.131 -5.753 1.00 0.00 S ATOM 0 H CYS A 30 5.105 1.595 -7.396 1.00 0.00 H new ATOM 0 HA CYS A 30 7.056 1.856 -5.202 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.720 -0.759 -6.466 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.702 -0.301 -4.774 1.00 0.00 H new ATOM 0 HG CYS A 30 4.003 0.850 -5.050 1.00 0.00 H new ATOM 503 N LEU A 31 7.678 0.980 -8.331 1.00 0.00 N ATOM 504 CA LEU A 31 8.715 0.916 -9.346 1.00 0.00 C ATOM 505 C LEU A 31 9.701 2.067 -9.135 1.00 0.00 C ATOM 506 O LEU A 31 10.909 1.890 -9.288 1.00 0.00 O ATOM 507 CB LEU A 31 8.095 0.887 -10.745 1.00 0.00 C ATOM 508 CG LEU A 31 7.487 -0.448 -11.181 1.00 0.00 C ATOM 509 CD1 LEU A 31 8.579 -1.485 -11.450 1.00 0.00 C ATOM 510 CD2 LEU A 31 6.464 -0.945 -10.157 1.00 0.00 C ATOM 0 H LEU A 31 6.748 0.716 -8.655 1.00 0.00 H new ATOM 0 HA LEU A 31 9.281 -0.011 -9.254 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.318 1.650 -10.793 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.862 1.167 -11.467 1.00 0.00 H new ATOM 0 HG LEU A 31 6.954 -0.291 -12.119 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.120 -2.425 -11.758 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.236 -1.125 -12.242 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.160 -1.646 -10.542 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.047 -1.895 -10.491 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.952 -1.082 -9.192 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.663 -0.212 -10.058 1.00 0.00 H new ATOM 522 N GLN A 32 9.149 3.221 -8.788 1.00 0.00 N ATOM 523 CA GLN A 32 9.965 4.400 -8.554 1.00 0.00 C ATOM 524 C GLN A 32 10.591 4.345 -7.159 1.00 0.00 C ATOM 525 O GLN A 32 11.795 4.546 -7.006 1.00 0.00 O ATOM 526 CB GLN A 32 9.146 5.679 -8.738 1.00 0.00 C ATOM 527 CG GLN A 32 9.324 6.247 -10.147 1.00 0.00 C ATOM 528 CD GLN A 32 10.733 6.813 -10.336 1.00 0.00 C ATOM 529 OE1 GLN A 32 11.279 7.486 -9.478 1.00 0.00 O ATOM 530 NE2 GLN A 32 11.288 6.504 -11.504 1.00 0.00 N ATOM 0 H GLN A 32 8.147 3.364 -8.663 1.00 0.00 H new ATOM 0 HA GLN A 32 10.769 4.413 -9.290 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.092 5.469 -8.557 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.454 6.421 -8.001 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.140 5.465 -10.884 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.587 7.030 -10.323 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.775 5.936 -12.178 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.227 6.835 -11.726 1.00 0.00 H new ATOM 539 N LEU A 33 9.744 4.073 -6.176 1.00 0.00 N ATOM 540 CA LEU A 33 10.199 3.989 -4.799 1.00 0.00 C ATOM 541 C LEU A 33 11.265 2.898 -4.684 1.00 0.00 C ATOM 542 O LEU A 33 12.329 3.123 -4.109 1.00 0.00 O ATOM 543 CB LEU A 33 9.012 3.791 -3.854 1.00 0.00 C ATOM 544 CG LEU A 33 9.343 3.228 -2.470 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.522 3.974 -1.843 1.00 0.00 C ATOM 546 CD2 LEU A 33 8.110 3.241 -1.564 1.00 0.00 C ATOM 0 H LEU A 33 8.746 3.908 -6.306 1.00 0.00 H new ATOM 0 HA LEU A 33 10.667 4.925 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.513 4.751 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.298 3.123 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 33 9.646 2.187 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.737 3.555 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.399 3.870 -2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.271 5.030 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.372 2.836 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.754 4.265 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.324 2.632 -2.010 1.00 0.00 H new ATOM 558 N LEU A 34 10.942 1.739 -5.239 1.00 0.00 N ATOM 559 CA LEU A 34 11.859 0.612 -5.205 1.00 0.00 C ATOM 560 C LEU A 34 12.995 0.854 -6.202 1.00 0.00 C ATOM 561 O LEU A 34 14.007 0.155 -6.177 1.00 0.00 O ATOM 562 CB LEU A 34 11.106 -0.699 -5.439 1.00 0.00 C ATOM 563 CG LEU A 34 9.634 -0.710 -5.022 1.00 0.00 C ATOM 564 CD1 LEU A 34 9.189 -2.117 -4.617 1.00 0.00 C ATOM 565 CD2 LEU A 34 9.369 0.315 -3.917 1.00 0.00 C ATOM 0 H LEU A 34 10.058 1.556 -5.715 1.00 0.00 H new ATOM 0 HA LEU A 34 12.313 0.521 -4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.165 -0.944 -6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.622 -1.493 -4.899 1.00 0.00 H new ATOM 0 HG LEU A 34 9.033 -0.418 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.139 -2.097 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.318 -2.796 -5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.792 -2.462 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.315 0.286 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.980 0.078 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.622 1.312 -4.277 1.00 0.00 H new ATOM 577 N LYS A 35 12.789 1.847 -7.055 1.00 0.00 N ATOM 578 CA LYS A 35 13.783 2.190 -8.057 1.00 0.00 C ATOM 579 C LYS A 35 15.123 2.459 -7.370 1.00 0.00 C ATOM 580 O LYS A 35 16.155 2.562 -8.032 1.00 0.00 O ATOM 581 CB LYS A 35 13.292 3.353 -8.922 1.00 0.00 C ATOM 582 CG LYS A 35 13.967 4.664 -8.514 1.00 0.00 C ATOM 583 CD LYS A 35 15.125 5.001 -9.457 1.00 0.00 C ATOM 584 CE LYS A 35 15.644 6.418 -9.202 1.00 0.00 C ATOM 585 NZ LYS A 35 14.777 7.415 -9.870 1.00 0.00 N ATOM 0 H LYS A 35 11.948 2.425 -7.073 1.00 0.00 H new ATOM 0 HA LYS A 35 13.937 1.356 -8.741 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.501 3.144 -9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.211 3.451 -8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.236 5.473 -8.526 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.337 4.584 -7.492 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.933 4.283 -9.318 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.794 4.912 -10.492 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.674 6.613 -8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.665 6.510 -9.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.143 8.371 -9.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.769 7.237 -10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.809 7.338 -9.498 1.00 0.00 H new ATOM 599 N GLY A 36 15.064 2.564 -6.050 1.00 0.00 N ATOM 600 CA GLY A 36 16.261 2.819 -5.266 1.00 0.00 C ATOM 601 C GLY A 36 17.284 1.696 -5.447 1.00 0.00 C ATOM 602 O GLY A 36 18.002 1.661 -6.445 1.00 0.00 O ATOM 0 H GLY A 36 14.207 2.477 -5.504 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.702 3.769 -5.567 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.998 2.909 -4.212 1.00 0.00 H new ATOM 606 N ASP A 37 17.318 0.806 -4.466 1.00 0.00 N ATOM 607 CA ASP A 37 18.242 -0.315 -4.504 1.00 0.00 C ATOM 608 C ASP A 37 17.554 -1.514 -5.159 1.00 0.00 C ATOM 609 O ASP A 37 16.437 -1.397 -5.660 1.00 0.00 O ATOM 610 CB ASP A 37 18.668 -0.726 -3.094 1.00 0.00 C ATOM 611 CG ASP A 37 19.516 0.306 -2.348 1.00 0.00 C ATOM 612 OD1 ASP A 37 20.652 0.548 -2.810 1.00 0.00 O ATOM 613 OD2 ASP A 37 19.009 0.830 -1.332 1.00 0.00 O ATOM 0 H ASP A 37 16.721 0.838 -3.640 1.00 0.00 H new ATOM 0 HA ASP A 37 19.121 -0.009 -5.071 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.774 -0.932 -2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 37 19.230 -1.658 -3.158 1.00 0.00 H new ATOM 618 N VAL A 38 18.251 -2.641 -5.134 1.00 0.00 N ATOM 619 CA VAL A 38 17.721 -3.861 -5.719 1.00 0.00 C ATOM 620 C VAL A 38 18.811 -4.935 -5.722 1.00 0.00 C ATOM 621 O VAL A 38 19.999 -4.619 -5.676 1.00 0.00 O ATOM 622 CB VAL A 38 17.162 -3.573 -7.114 1.00 0.00 C ATOM 623 CG1 VAL A 38 17.803 -4.486 -8.161 1.00 0.00 C ATOM 624 CG2 VAL A 38 15.637 -3.705 -7.131 1.00 0.00 C ATOM 0 H VAL A 38 19.178 -2.735 -4.718 1.00 0.00 H new ATOM 0 HA VAL A 38 16.891 -4.241 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 38 17.412 -2.543 -7.370 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.388 -4.261 -9.143 1.00 0.00 H new ATOM 0 HG12 VAL A 38 18.881 -4.322 -8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 38 17.598 -5.527 -7.911 1.00 0.00 H new ATOM 0 HG21 VAL A 38 15.265 -3.495 -8.134 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.356 -4.718 -6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 38 15.202 -2.995 -6.427 1.00 0.00 H new ATOM 634 N SER A 39 18.368 -6.183 -5.777 1.00 0.00 N ATOM 635 CA SER A 39 19.291 -7.305 -5.786 1.00 0.00 C ATOM 636 C SER A 39 18.590 -8.563 -5.268 1.00 0.00 C ATOM 637 O SER A 39 17.469 -8.492 -4.768 1.00 0.00 O ATOM 638 CB SER A 39 20.533 -7.004 -4.945 1.00 0.00 C ATOM 639 OG SER A 39 20.238 -6.146 -3.846 1.00 0.00 O ATOM 0 H SER A 39 17.382 -6.441 -5.816 1.00 0.00 H new ATOM 0 HA SER A 39 19.614 -7.474 -6.813 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.954 -7.938 -4.573 1.00 0.00 H new ATOM 0 HB3 SER A 39 21.293 -6.540 -5.574 1.00 0.00 H new ATOM 0 HG SER A 39 20.521 -5.232 -4.059 1.00 0.00 H new ATOM 645 N HIS A 40 19.281 -9.685 -5.406 1.00 0.00 N ATOM 646 CA HIS A 40 18.739 -10.957 -4.958 1.00 0.00 C ATOM 647 C HIS A 40 17.942 -10.749 -3.669 1.00 0.00 C ATOM 648 O HIS A 40 18.424 -10.115 -2.732 1.00 0.00 O ATOM 649 CB HIS A 40 19.851 -11.998 -4.807 1.00 0.00 C ATOM 650 CG HIS A 40 20.564 -11.946 -3.477 1.00 0.00 C ATOM 651 ND1 HIS A 40 20.881 -10.758 -2.842 1.00 0.00 N ATOM 652 CD2 HIS A 40 21.017 -12.948 -2.670 1.00 0.00 C ATOM 653 CE1 HIS A 40 21.497 -11.044 -1.704 1.00 0.00 C ATOM 654 NE2 HIS A 40 21.582 -12.401 -1.600 1.00 0.00 N ATOM 0 H HIS A 40 20.211 -9.740 -5.821 1.00 0.00 H new ATOM 0 HA HIS A 40 18.053 -11.350 -5.709 1.00 0.00 H new ATOM 0 HB2 HIS A 40 19.425 -12.992 -4.940 1.00 0.00 H new ATOM 0 HB3 HIS A 40 20.580 -11.854 -5.604 1.00 0.00 H new ATOM 0 HD1 HIS A 40 20.676 -9.822 -3.191 1.00 0.00 H new ATOM 0 HD2 HIS A 40 20.931 -14.006 -2.868 1.00 0.00 H new ATOM 0 HE1 HIS A 40 21.867 -10.328 -0.985 1.00 0.00 H new ATOM 662 N ARG A 41 16.736 -11.297 -3.662 1.00 0.00 N ATOM 663 CA ARG A 41 15.867 -11.180 -2.503 1.00 0.00 C ATOM 664 C ARG A 41 14.497 -11.791 -2.803 1.00 0.00 C ATOM 665 O ARG A 41 14.401 -12.788 -3.517 1.00 0.00 O ATOM 666 CB ARG A 41 15.686 -9.716 -2.096 1.00 0.00 C ATOM 667 CG ARG A 41 15.603 -9.577 -0.575 1.00 0.00 C ATOM 668 CD ARG A 41 16.941 -9.924 0.082 1.00 0.00 C ATOM 669 NE ARG A 41 17.000 -11.373 0.375 1.00 0.00 N ATOM 670 CZ ARG A 41 18.120 -12.026 0.713 1.00 0.00 C ATOM 671 NH1 ARG A 41 19.281 -11.363 0.803 1.00 0.00 N ATOM 672 NH2 ARG A 41 18.079 -13.342 0.962 1.00 0.00 N ATOM 0 H ARG A 41 16.340 -11.823 -4.441 1.00 0.00 H new ATOM 0 HA ARG A 41 16.337 -11.719 -1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.519 -9.124 -2.474 1.00 0.00 H new ATOM 0 HB3 ARG A 41 14.779 -9.317 -2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 41 15.320 -8.557 -0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.823 -10.233 -0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 41 17.763 -9.644 -0.577 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.062 -9.353 1.003 1.00 0.00 H new ATOM 0 HE ARG A 41 16.134 -11.908 0.316 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.312 -10.361 0.614 1.00 0.00 H new ATOM 0 HH12 ARG A 41 20.134 -11.860 1.060 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.195 -13.847 0.894 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.932 -13.839 1.219 1.00 0.00 H new ATOM 686 N PHE A 42 13.471 -11.168 -2.243 1.00 0.00 N ATOM 687 CA PHE A 42 12.110 -11.638 -2.441 1.00 0.00 C ATOM 688 C PHE A 42 11.448 -10.921 -3.619 1.00 0.00 C ATOM 689 O PHE A 42 12.022 -9.992 -4.187 1.00 0.00 O ATOM 690 CB PHE A 42 11.335 -11.316 -1.162 1.00 0.00 C ATOM 691 CG PHE A 42 12.201 -10.751 -0.035 1.00 0.00 C ATOM 692 CD1 PHE A 42 12.674 -9.478 -0.114 1.00 0.00 C ATOM 693 CD2 PHE A 42 12.498 -11.521 1.046 1.00 0.00 C ATOM 694 CE1 PHE A 42 13.478 -8.953 0.932 1.00 0.00 C ATOM 695 CE2 PHE A 42 13.302 -10.996 2.092 1.00 0.00 C ATOM 696 CZ PHE A 42 13.775 -9.723 2.013 1.00 0.00 C ATOM 0 H PHE A 42 13.555 -10.341 -1.652 1.00 0.00 H new ATOM 0 HA PHE A 42 12.113 -12.706 -2.657 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.549 -10.598 -1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.844 -12.223 -0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 42 12.438 -8.867 -0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.122 -12.532 1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 42 13.854 -7.942 0.869 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.538 -11.607 2.950 1.00 0.00 H new ATOM 0 HZ PHE A 42 14.386 -9.324 2.809 1.00 0.00 H new ATOM 706 N ASP A 43 10.250 -11.378 -3.952 1.00 0.00 N ATOM 707 CA ASP A 43 9.504 -10.792 -5.052 1.00 0.00 C ATOM 708 C ASP A 43 8.531 -9.747 -4.503 1.00 0.00 C ATOM 709 O ASP A 43 7.779 -10.024 -3.569 1.00 0.00 O ATOM 710 CB ASP A 43 8.689 -11.854 -5.793 1.00 0.00 C ATOM 711 CG ASP A 43 9.248 -12.261 -7.158 1.00 0.00 C ATOM 712 OD1 ASP A 43 10.036 -11.464 -7.710 1.00 0.00 O ATOM 713 OD2 ASP A 43 8.874 -13.362 -7.619 1.00 0.00 O ATOM 0 H ASP A 43 9.777 -12.148 -3.479 1.00 0.00 H new ATOM 0 HA ASP A 43 10.218 -10.340 -5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.621 -12.742 -5.165 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.674 -11.482 -5.929 1.00 0.00 H new ATOM 718 N VAL A 44 8.576 -8.568 -5.106 1.00 0.00 N ATOM 719 CA VAL A 44 7.707 -7.481 -4.689 1.00 0.00 C ATOM 720 C VAL A 44 6.460 -7.461 -5.575 1.00 0.00 C ATOM 721 O VAL A 44 6.535 -7.762 -6.765 1.00 0.00 O ATOM 722 CB VAL A 44 8.476 -6.158 -4.710 1.00 0.00 C ATOM 723 CG1 VAL A 44 9.981 -6.397 -4.565 1.00 0.00 C ATOM 724 CG2 VAL A 44 8.167 -5.365 -5.981 1.00 0.00 C ATOM 0 H VAL A 44 9.201 -8.342 -5.880 1.00 0.00 H new ATOM 0 HA VAL A 44 7.374 -7.632 -3.662 1.00 0.00 H new ATOM 0 HB VAL A 44 8.147 -5.565 -3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.505 -5.441 -4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.180 -6.902 -3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.332 -7.018 -5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.726 -4.429 -5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.455 -5.950 -6.854 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.099 -5.149 -6.025 1.00 0.00 H new ATOM 734 N GLU A 45 5.342 -7.104 -4.961 1.00 0.00 N ATOM 735 CA GLU A 45 4.080 -7.041 -5.679 1.00 0.00 C ATOM 736 C GLU A 45 3.639 -5.586 -5.851 1.00 0.00 C ATOM 737 O GLU A 45 3.370 -4.895 -4.870 1.00 0.00 O ATOM 738 CB GLU A 45 3.002 -7.860 -4.966 1.00 0.00 C ATOM 739 CG GLU A 45 2.504 -9.002 -5.855 1.00 0.00 C ATOM 740 CD GLU A 45 2.458 -10.320 -5.079 1.00 0.00 C ATOM 741 OE1 GLU A 45 1.669 -10.382 -4.112 1.00 0.00 O ATOM 742 OE2 GLU A 45 3.214 -11.235 -5.472 1.00 0.00 O ATOM 0 H GLU A 45 5.283 -6.855 -3.974 1.00 0.00 H new ATOM 0 HA GLU A 45 4.225 -7.475 -6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.403 -8.266 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.167 -7.213 -4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.510 -8.765 -6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.160 -9.107 -6.719 1.00 0.00 H new ATOM 749 N ILE A 46 3.579 -5.164 -7.106 1.00 0.00 N ATOM 750 CA ILE A 46 3.175 -3.804 -7.419 1.00 0.00 C ATOM 751 C ILE A 46 1.843 -3.832 -8.171 1.00 0.00 C ATOM 752 O ILE A 46 1.808 -4.110 -9.368 1.00 0.00 O ATOM 753 CB ILE A 46 4.290 -3.074 -8.172 1.00 0.00 C ATOM 754 CG1 ILE A 46 5.646 -3.302 -7.499 1.00 0.00 C ATOM 755 CG2 ILE A 46 3.967 -1.586 -8.322 1.00 0.00 C ATOM 756 CD1 ILE A 46 5.524 -3.210 -5.977 1.00 0.00 C ATOM 0 H ILE A 46 3.803 -5.740 -7.917 1.00 0.00 H new ATOM 0 HA ILE A 46 3.013 -3.235 -6.504 1.00 0.00 H new ATOM 0 HB ILE A 46 4.355 -3.492 -9.177 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.034 -4.282 -7.778 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.362 -2.562 -7.856 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.775 -1.091 -8.860 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.036 -1.470 -8.877 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.859 -1.136 -7.335 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.501 -3.376 -5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.158 -2.221 -5.700 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.826 -3.968 -5.622 1.00 0.00 H new ATOM 768 N ALA A 47 0.780 -3.542 -7.436 1.00 0.00 N ATOM 769 CA ALA A 47 -0.552 -3.530 -8.018 1.00 0.00 C ATOM 770 C ALA A 47 -1.365 -2.393 -7.397 1.00 0.00 C ATOM 771 O ALA A 47 -1.261 -2.132 -6.200 1.00 0.00 O ATOM 772 CB ALA A 47 -1.210 -4.896 -7.814 1.00 0.00 C ATOM 0 H ALA A 47 0.813 -3.313 -6.442 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.500 -3.350 -9.092 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.209 -4.887 -8.250 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.609 -5.665 -8.299 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.282 -5.110 -6.748 1.00 0.00 H new ATOM 778 N ASN A 48 -2.158 -1.747 -8.239 1.00 0.00 N ATOM 779 CA ASN A 48 -2.989 -0.644 -7.788 1.00 0.00 C ATOM 780 C ASN A 48 -4.448 -1.100 -7.730 1.00 0.00 C ATOM 781 O ASN A 48 -5.018 -1.499 -8.744 1.00 0.00 O ATOM 782 CB ASN A 48 -2.903 0.541 -8.753 1.00 0.00 C ATOM 783 CG ASN A 48 -2.414 0.091 -10.131 1.00 0.00 C ATOM 784 OD1 ASN A 48 -3.108 0.197 -11.129 1.00 0.00 O ATOM 785 ND2 ASN A 48 -1.184 -0.415 -10.131 1.00 0.00 N ATOM 0 H ASN A 48 -2.243 -1.967 -9.232 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.634 -0.336 -6.805 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.882 1.011 -8.846 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.225 1.294 -8.351 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.767 -0.743 -11.002 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.657 -0.475 -9.260 1.00 0.00 H new ATOM 792 N ARG A 49 -5.010 -1.027 -6.532 1.00 0.00 N ATOM 793 CA ARG A 49 -6.392 -1.428 -6.328 1.00 0.00 C ATOM 794 C ARG A 49 -6.911 -0.884 -4.996 1.00 0.00 C ATOM 795 O ARG A 49 -6.127 -0.560 -4.106 1.00 0.00 O ATOM 796 CB ARG A 49 -6.530 -2.952 -6.338 1.00 0.00 C ATOM 797 CG ARG A 49 -5.667 -3.588 -5.247 1.00 0.00 C ATOM 798 CD ARG A 49 -5.058 -4.906 -5.728 1.00 0.00 C ATOM 799 NE ARG A 49 -5.156 -5.928 -4.662 1.00 0.00 N ATOM 800 CZ ARG A 49 -4.707 -7.185 -4.782 1.00 0.00 C ATOM 801 NH1 ARG A 49 -4.127 -7.583 -5.923 1.00 0.00 N ATOM 802 NH2 ARG A 49 -4.838 -8.044 -3.762 1.00 0.00 N ATOM 0 H ARG A 49 -4.534 -0.696 -5.693 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.982 -1.016 -7.147 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.574 -3.227 -6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.235 -3.341 -7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.872 -2.900 -4.960 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.272 -3.766 -4.358 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.577 -5.251 -6.622 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.014 -4.755 -6.003 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.593 -5.659 -3.780 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.027 -6.929 -6.700 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.785 -8.540 -6.015 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.280 -7.741 -2.894 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.496 -9.001 -3.854 1.00 0.00 H new ATOM 816 N PHE A 50 -8.230 -0.801 -4.901 1.00 0.00 N ATOM 817 CA PHE A 50 -8.863 -0.303 -3.692 1.00 0.00 C ATOM 818 C PHE A 50 -8.673 -1.280 -2.530 1.00 0.00 C ATOM 819 O PHE A 50 -9.247 -2.367 -2.528 1.00 0.00 O ATOM 820 CB PHE A 50 -10.358 -0.170 -3.992 1.00 0.00 C ATOM 821 CG PHE A 50 -11.112 -1.502 -3.996 1.00 0.00 C ATOM 822 CD1 PHE A 50 -10.599 -2.571 -4.663 1.00 0.00 C ATOM 823 CD2 PHE A 50 -12.294 -1.616 -3.334 1.00 0.00 C ATOM 824 CE1 PHE A 50 -11.299 -3.807 -4.667 1.00 0.00 C ATOM 825 CE2 PHE A 50 -12.994 -2.851 -3.339 1.00 0.00 C ATOM 826 CZ PHE A 50 -12.482 -3.921 -4.005 1.00 0.00 C ATOM 0 H PHE A 50 -8.878 -1.070 -5.642 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.419 0.650 -3.406 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.810 0.489 -3.251 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.482 0.309 -4.963 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.660 -2.480 -5.189 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.700 -0.767 -2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.892 -4.656 -5.196 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.933 -2.941 -2.814 1.00 0.00 H new ATOM 0 HZ PHE A 50 -13.014 -4.861 -4.008 1.00 0.00 H new ATOM 836 N PRO A 51 -7.843 -0.845 -1.544 1.00 0.00 N ATOM 837 CA PRO A 51 -7.570 -1.669 -0.379 1.00 0.00 C ATOM 838 C PRO A 51 -8.762 -1.676 0.580 1.00 0.00 C ATOM 839 O PRO A 51 -8.625 -1.319 1.749 1.00 0.00 O ATOM 840 CB PRO A 51 -6.314 -1.074 0.238 1.00 0.00 C ATOM 841 CG PRO A 51 -6.197 0.332 -0.329 1.00 0.00 C ATOM 842 CD PRO A 51 -7.146 0.437 -1.512 1.00 0.00 C ATOM 0 HA PRO A 51 -7.415 -2.718 -0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.386 -1.052 1.325 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.436 -1.670 -0.011 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.450 1.072 0.430 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.173 0.534 -0.642 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.845 1.264 -1.387 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.603 0.616 -2.440 1.00 0.00 H new ATOM 850 N THR A 52 -9.905 -2.085 0.050 1.00 0.00 N ATOM 851 CA THR A 52 -11.120 -2.143 0.844 1.00 0.00 C ATOM 852 C THR A 52 -10.926 -3.063 2.050 1.00 0.00 C ATOM 853 O THR A 52 -10.081 -3.957 2.024 1.00 0.00 O ATOM 854 CB THR A 52 -12.264 -2.578 -0.074 1.00 0.00 C ATOM 855 OG1 THR A 52 -11.612 -2.981 -1.276 1.00 0.00 O ATOM 856 CG2 THR A 52 -13.148 -1.406 -0.505 1.00 0.00 C ATOM 0 H THR A 52 -10.015 -2.380 -0.920 1.00 0.00 H new ATOM 0 HA THR A 52 -11.369 -1.166 1.258 1.00 0.00 H new ATOM 0 HB THR A 52 -12.874 -3.324 0.436 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.238 -2.912 -2.027 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.944 -1.770 -1.155 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.585 -0.937 0.376 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.546 -0.675 -1.044 1.00 0.00 H new ATOM 864 N TRP A 53 -11.721 -2.812 3.080 1.00 0.00 N ATOM 865 CA TRP A 53 -11.647 -3.607 4.294 1.00 0.00 C ATOM 866 C TRP A 53 -11.953 -5.060 3.927 1.00 0.00 C ATOM 867 O TRP A 53 -11.543 -5.982 4.632 1.00 0.00 O ATOM 868 CB TRP A 53 -12.582 -3.052 5.370 1.00 0.00 C ATOM 869 CG TRP A 53 -12.807 -1.541 5.281 1.00 0.00 C ATOM 870 CD1 TRP A 53 -13.899 -0.848 5.628 1.00 0.00 C ATOM 871 CD2 TRP A 53 -11.866 -0.559 4.798 1.00 0.00 C ATOM 872 NE1 TRP A 53 -13.733 0.504 5.405 1.00 0.00 N ATOM 873 CE2 TRP A 53 -12.457 0.685 4.884 1.00 0.00 C ATOM 874 CE3 TRP A 53 -10.559 -0.717 4.305 1.00 0.00 C ATOM 875 CZ2 TRP A 53 -11.815 1.867 4.495 1.00 0.00 C ATOM 876 CZ3 TRP A 53 -9.931 0.474 3.920 1.00 0.00 C ATOM 877 CH2 TRP A 53 -10.512 1.734 4.000 1.00 0.00 C ATOM 0 H TRP A 53 -12.420 -2.069 3.099 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.647 -3.561 4.725 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -13.545 -3.557 5.296 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.172 -3.291 6.351 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -14.797 -1.291 6.032 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -14.420 1.235 5.589 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -10.077 -1.681 4.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -12.299 2.829 4.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -8.925 0.409 3.534 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -9.961 2.607 3.682 1.00 0.00 H new ATOM 888 N ASP A 54 -12.671 -5.220 2.825 1.00 0.00 N ATOM 889 CA ASP A 54 -13.037 -6.546 2.356 1.00 0.00 C ATOM 890 C ASP A 54 -11.803 -7.450 2.381 1.00 0.00 C ATOM 891 O ASP A 54 -11.772 -8.445 3.104 1.00 0.00 O ATOM 892 CB ASP A 54 -13.559 -6.498 0.919 1.00 0.00 C ATOM 893 CG ASP A 54 -15.010 -6.949 0.742 1.00 0.00 C ATOM 894 OD1 ASP A 54 -15.726 -6.973 1.767 1.00 0.00 O ATOM 895 OD2 ASP A 54 -15.371 -7.260 -0.413 1.00 0.00 O ATOM 0 H ASP A 54 -13.009 -4.453 2.243 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.819 -6.931 3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.464 -5.478 0.548 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.921 -7.125 0.296 1.00 0.00 H new ATOM 900 N GLN A 55 -10.816 -7.071 1.583 1.00 0.00 N ATOM 901 CA GLN A 55 -9.582 -7.835 1.504 1.00 0.00 C ATOM 902 C GLN A 55 -8.617 -7.399 2.608 1.00 0.00 C ATOM 903 O GLN A 55 -7.896 -8.224 3.168 1.00 0.00 O ATOM 904 CB GLN A 55 -8.937 -7.693 0.124 1.00 0.00 C ATOM 905 CG GLN A 55 -8.547 -9.060 -0.443 1.00 0.00 C ATOM 906 CD GLN A 55 -9.787 -9.858 -0.851 1.00 0.00 C ATOM 907 OE1 GLN A 55 -10.368 -10.594 -0.070 1.00 0.00 O ATOM 908 NE2 GLN A 55 -10.160 -9.671 -2.114 1.00 0.00 N ATOM 0 H GLN A 55 -10.845 -6.245 0.985 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.819 -8.889 1.651 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.630 -7.198 -0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.053 -7.059 0.195 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.895 -8.927 -1.307 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.980 -9.618 0.302 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.629 -9.040 -2.715 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.977 -10.158 -2.482 1.00 0.00 H new ATOM 917 N LEU A 56 -8.633 -6.104 2.888 1.00 0.00 N ATOM 918 CA LEU A 56 -7.768 -5.549 3.915 1.00 0.00 C ATOM 919 C LEU A 56 -8.134 -6.162 5.269 1.00 0.00 C ATOM 920 O LEU A 56 -7.347 -6.104 6.213 1.00 0.00 O ATOM 921 CB LEU A 56 -7.826 -4.021 3.895 1.00 0.00 C ATOM 922 CG LEU A 56 -7.301 -3.314 5.147 1.00 0.00 C ATOM 923 CD1 LEU A 56 -8.387 -3.222 6.221 1.00 0.00 C ATOM 924 CD2 LEU A 56 -6.034 -3.993 5.670 1.00 0.00 C ATOM 0 H LEU A 56 -9.232 -5.423 2.421 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.727 -5.808 3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.256 -3.667 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.861 -3.718 3.738 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.030 -2.294 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.988 -2.716 7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.236 -2.660 5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.712 -4.225 6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.682 -3.471 6.560 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.255 -5.030 5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.261 -3.962 4.902 1.00 0.00 H new ATOM 936 N GLN A 57 -9.327 -6.734 5.320 1.00 0.00 N ATOM 937 CA GLN A 57 -9.807 -7.356 6.543 1.00 0.00 C ATOM 938 C GLN A 57 -8.683 -8.153 7.208 1.00 0.00 C ATOM 939 O GLN A 57 -8.683 -8.336 8.425 1.00 0.00 O ATOM 940 CB GLN A 57 -11.021 -8.245 6.266 1.00 0.00 C ATOM 941 CG GLN A 57 -10.613 -9.717 6.174 1.00 0.00 C ATOM 942 CD GLN A 57 -10.568 -10.361 7.561 1.00 0.00 C ATOM 943 OE1 GLN A 57 -11.261 -9.961 8.482 1.00 0.00 O ATOM 944 NE2 GLN A 57 -9.716 -11.378 7.658 1.00 0.00 N ATOM 0 H GLN A 57 -9.976 -6.780 4.535 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.124 -6.570 7.228 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.758 -8.117 7.059 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.497 -7.937 5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.320 -10.255 5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.635 -9.798 5.700 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.166 -11.662 6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.613 -11.874 8.543 1.00 0.00 H new ATOM 953 N TYR A 58 -7.752 -8.607 6.381 1.00 0.00 N ATOM 954 CA TYR A 58 -6.626 -9.380 6.875 1.00 0.00 C ATOM 955 C TYR A 58 -5.768 -8.551 7.832 1.00 0.00 C ATOM 956 O TYR A 58 -5.545 -8.948 8.975 1.00 0.00 O ATOM 957 CB TYR A 58 -5.791 -9.741 5.644 1.00 0.00 C ATOM 958 CG TYR A 58 -6.409 -10.837 4.773 1.00 0.00 C ATOM 959 CD1 TYR A 58 -6.836 -12.017 5.347 1.00 0.00 C ATOM 960 CD2 TYR A 58 -6.539 -10.645 3.412 1.00 0.00 C ATOM 961 CE1 TYR A 58 -7.418 -13.047 4.527 1.00 0.00 C ATOM 962 CE2 TYR A 58 -7.120 -11.676 2.592 1.00 0.00 C ATOM 963 CZ TYR A 58 -7.531 -12.826 3.190 1.00 0.00 C ATOM 964 OH TYR A 58 -8.080 -13.800 2.415 1.00 0.00 O ATOM 0 H TYR A 58 -7.755 -8.454 5.373 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.973 -10.259 7.419 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.650 -8.846 5.038 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.802 -10.064 5.970 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.734 -12.168 6.412 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.205 -9.722 2.963 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.757 -13.975 4.964 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.227 -11.539 1.526 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.098 -13.504 1.481 1.00 0.00 H new ATOM 974 N MET A 59 -5.311 -7.413 7.331 1.00 0.00 N ATOM 975 CA MET A 59 -4.482 -6.523 8.128 1.00 0.00 C ATOM 976 C MET A 59 -5.334 -5.712 9.106 1.00 0.00 C ATOM 977 O MET A 59 -4.875 -5.365 10.194 1.00 0.00 O ATOM 978 CB MET A 59 -3.719 -5.572 7.204 1.00 0.00 C ATOM 979 CG MET A 59 -3.426 -6.235 5.856 1.00 0.00 C ATOM 980 SD MET A 59 -2.779 -7.879 6.112 1.00 0.00 S ATOM 981 CE MET A 59 -1.412 -7.856 4.964 1.00 0.00 C ATOM 0 H MET A 59 -5.499 -7.086 6.383 1.00 0.00 H new ATOM 0 HA MET A 59 -3.779 -7.127 8.702 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.303 -4.665 7.048 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.784 -5.272 7.677 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.337 -6.283 5.259 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.708 -5.636 5.295 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.245 -8.861 4.577 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.641 -7.182 4.138 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.513 -7.511 5.475 1.00 0.00 H new ATOM 991 N ARG A 60 -6.558 -5.431 8.684 1.00 0.00 N ATOM 992 CA ARG A 60 -7.477 -4.666 9.509 1.00 0.00 C ATOM 993 C ARG A 60 -7.597 -5.299 10.897 1.00 0.00 C ATOM 994 O ARG A 60 -7.862 -4.607 11.879 1.00 0.00 O ATOM 995 CB ARG A 60 -8.864 -4.595 8.868 1.00 0.00 C ATOM 996 CG ARG A 60 -9.887 -5.390 9.682 1.00 0.00 C ATOM 997 CD ARG A 60 -10.304 -4.622 10.938 1.00 0.00 C ATOM 998 NE ARG A 60 -10.166 -5.487 12.130 1.00 0.00 N ATOM 999 CZ ARG A 60 -10.052 -5.027 13.384 1.00 0.00 C ATOM 1000 NH1 ARG A 60 -10.059 -3.708 13.616 1.00 0.00 N ATOM 1001 NH2 ARG A 60 -9.932 -5.887 14.405 1.00 0.00 N ATOM 0 H ARG A 60 -6.935 -5.720 7.781 1.00 0.00 H new ATOM 0 HA ARG A 60 -7.078 -3.656 9.599 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.182 -3.555 8.795 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.819 -4.987 7.852 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.764 -5.595 9.069 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.463 -6.354 9.965 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.686 -3.731 11.051 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.336 -4.284 10.842 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.157 -6.497 11.989 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.151 -3.054 12.839 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.972 -3.358 14.570 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.927 -6.891 14.228 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.845 -5.537 15.359 1.00 0.00 H new ATOM 1015 N THR A 61 -7.395 -6.608 10.935 1.00 0.00 N ATOM 1016 CA THR A 61 -7.477 -7.343 12.186 1.00 0.00 C ATOM 1017 C THR A 61 -6.111 -7.379 12.873 1.00 0.00 C ATOM 1018 O THR A 61 -6.008 -7.128 14.073 1.00 0.00 O ATOM 1019 CB THR A 61 -8.042 -8.732 11.883 1.00 0.00 C ATOM 1020 OG1 THR A 61 -7.684 -8.963 10.523 1.00 0.00 O ATOM 1021 CG2 THR A 61 -9.572 -8.753 11.875 1.00 0.00 C ATOM 0 H THR A 61 -7.175 -7.179 10.119 1.00 0.00 H new ATOM 0 HA THR A 61 -8.148 -6.851 12.891 1.00 0.00 H new ATOM 0 HB THR A 61 -7.674 -9.443 12.622 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.445 -8.748 9.944 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.921 -9.762 11.655 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.945 -8.445 12.852 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.941 -8.067 11.113 1.00 0.00 H new ATOM 1029 N SER A 62 -5.095 -7.693 12.083 1.00 0.00 N ATOM 1030 CA SER A 62 -3.739 -7.766 12.601 1.00 0.00 C ATOM 1031 C SER A 62 -3.308 -6.397 13.132 1.00 0.00 C ATOM 1032 O SER A 62 -2.471 -6.312 14.030 1.00 0.00 O ATOM 1033 CB SER A 62 -2.764 -8.248 11.525 1.00 0.00 C ATOM 1034 OG SER A 62 -3.139 -9.517 10.995 1.00 0.00 O ATOM 0 H SER A 62 -5.183 -7.900 11.088 1.00 0.00 H new ATOM 0 HA SER A 62 -3.723 -8.488 13.418 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.723 -7.516 10.718 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.761 -8.313 11.947 1.00 0.00 H new ATOM 0 HG SER A 62 -3.881 -9.402 10.365 1.00 0.00 H new ATOM 1040 N CYS A 63 -3.898 -5.361 12.556 1.00 0.00 N ATOM 1041 CA CYS A 63 -3.586 -4.001 12.960 1.00 0.00 C ATOM 1042 C CYS A 63 -4.901 -3.257 13.201 1.00 0.00 C ATOM 1043 O CYS A 63 -5.871 -3.452 12.470 1.00 0.00 O ATOM 1044 CB CYS A 63 -2.710 -3.290 11.927 1.00 0.00 C ATOM 1045 SG CYS A 63 -0.984 -3.196 12.528 1.00 0.00 S ATOM 0 H CYS A 63 -4.591 -5.436 11.812 1.00 0.00 H new ATOM 0 HA CYS A 63 -3.005 -4.018 13.882 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.745 -3.826 10.978 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.094 -2.287 11.741 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.248 -2.592 11.642 1.00 0.00 H new ATOM 1051 N PRO A 64 -4.891 -2.399 14.256 1.00 0.00 N ATOM 1052 CA PRO A 64 -6.071 -1.625 14.602 1.00 0.00 C ATOM 1053 C PRO A 64 -6.278 -0.470 13.620 1.00 0.00 C ATOM 1054 O PRO A 64 -7.412 -0.105 13.315 1.00 0.00 O ATOM 1055 CB PRO A 64 -5.830 -1.156 16.028 1.00 0.00 C ATOM 1056 CG PRO A 64 -4.334 -1.289 16.263 1.00 0.00 C ATOM 1057 CD PRO A 64 -3.761 -2.143 15.143 1.00 0.00 C ATOM 0 HA PRO A 64 -6.989 -2.208 14.538 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.156 -0.124 16.160 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.392 -1.762 16.739 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.861 -0.307 16.275 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.139 -1.749 17.232 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.958 -1.624 14.621 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.342 -3.072 15.529 1.00 0.00 H new ATOM 1065 N GLN A 65 -5.163 0.072 13.152 1.00 0.00 N ATOM 1066 CA GLN A 65 -5.208 1.178 12.210 1.00 0.00 C ATOM 1067 C GLN A 65 -5.057 0.662 10.778 1.00 0.00 C ATOM 1068 O GLN A 65 -4.870 1.446 9.848 1.00 0.00 O ATOM 1069 CB GLN A 65 -4.133 2.218 12.534 1.00 0.00 C ATOM 1070 CG GLN A 65 -4.480 3.575 11.920 1.00 0.00 C ATOM 1071 CD GLN A 65 -3.335 4.572 12.111 1.00 0.00 C ATOM 1072 OE1 GLN A 65 -2.803 4.746 13.195 1.00 0.00 O ATOM 1073 NE2 GLN A 65 -2.987 5.215 11.000 1.00 0.00 N ATOM 0 H GLN A 65 -4.224 -0.234 13.407 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.178 1.666 12.299 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.033 2.319 13.615 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.169 1.879 12.155 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.689 3.455 10.857 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.388 3.965 12.381 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.474 5.022 10.125 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.233 5.902 11.023 1.00 0.00 H new ATOM 1082 N GLY A 66 -5.145 -0.653 10.644 1.00 0.00 N ATOM 1083 CA GLY A 66 -5.021 -1.283 9.341 1.00 0.00 C ATOM 1084 C GLY A 66 -5.875 -0.559 8.298 1.00 0.00 C ATOM 1085 O GLY A 66 -5.385 -0.201 7.229 1.00 0.00 O ATOM 0 H GLY A 66 -5.301 -1.300 11.417 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.977 -1.278 9.028 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.329 -2.327 9.407 1.00 0.00 H new ATOM 1089 N PRO A 67 -7.172 -0.359 8.656 1.00 0.00 N ATOM 1090 CA PRO A 67 -8.099 0.316 7.764 1.00 0.00 C ATOM 1091 C PRO A 67 -7.838 1.824 7.740 1.00 0.00 C ATOM 1092 O PRO A 67 -7.736 2.423 6.670 1.00 0.00 O ATOM 1093 CB PRO A 67 -9.480 -0.038 8.289 1.00 0.00 C ATOM 1094 CG PRO A 67 -9.273 -0.511 9.719 1.00 0.00 C ATOM 1095 CD PRO A 67 -7.788 -0.769 9.914 1.00 0.00 C ATOM 0 HA PRO A 67 -7.989 -0.000 6.727 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.144 0.826 8.255 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.941 -0.818 7.682 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.626 0.241 10.425 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.846 -1.419 9.908 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.393 -0.196 10.753 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.593 -1.820 10.126 1.00 0.00 H new ATOM 1103 N VAL A 68 -7.736 2.393 8.932 1.00 0.00 N ATOM 1104 CA VAL A 68 -7.488 3.819 9.061 1.00 0.00 C ATOM 1105 C VAL A 68 -6.323 4.214 8.151 1.00 0.00 C ATOM 1106 O VAL A 68 -6.281 5.333 7.641 1.00 0.00 O ATOM 1107 CB VAL A 68 -7.248 4.177 10.529 1.00 0.00 C ATOM 1108 CG1 VAL A 68 -6.429 5.464 10.653 1.00 0.00 C ATOM 1109 CG2 VAL A 68 -8.571 4.295 11.288 1.00 0.00 C ATOM 0 H VAL A 68 -7.821 1.893 9.817 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.359 4.389 8.739 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.673 3.369 10.981 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.273 5.696 11.707 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.464 5.330 10.164 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.966 6.284 10.177 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.372 4.550 12.329 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.183 5.075 10.834 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.102 3.344 11.243 1.00 0.00 H new ATOM 1119 N SER A 69 -5.406 3.274 7.975 1.00 0.00 N ATOM 1120 CA SER A 69 -4.244 3.511 7.136 1.00 0.00 C ATOM 1121 C SER A 69 -4.685 3.786 5.697 1.00 0.00 C ATOM 1122 O SER A 69 -4.035 4.544 4.978 1.00 0.00 O ATOM 1123 CB SER A 69 -3.283 2.321 7.178 1.00 0.00 C ATOM 1124 OG SER A 69 -2.252 2.502 8.145 1.00 0.00 O ATOM 0 H SER A 69 -5.444 2.347 8.399 1.00 0.00 H new ATOM 0 HA SER A 69 -3.716 4.384 7.521 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.840 1.413 7.408 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.836 2.181 6.194 1.00 0.00 H new ATOM 0 HG SER A 69 -1.660 1.721 8.143 1.00 0.00 H new ATOM 1130 N LEU A 70 -5.787 3.154 5.318 1.00 0.00 N ATOM 1131 CA LEU A 70 -6.322 3.321 3.978 1.00 0.00 C ATOM 1132 C LEU A 70 -7.016 4.681 3.876 1.00 0.00 C ATOM 1133 O LEU A 70 -6.724 5.465 2.974 1.00 0.00 O ATOM 1134 CB LEU A 70 -7.225 2.142 3.611 1.00 0.00 C ATOM 1135 CG LEU A 70 -6.542 0.775 3.526 1.00 0.00 C ATOM 1136 CD1 LEU A 70 -5.091 0.915 3.062 1.00 0.00 C ATOM 1137 CD2 LEU A 70 -6.649 0.026 4.856 1.00 0.00 C ATOM 0 H LEU A 70 -6.323 2.526 5.916 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.517 3.317 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.026 2.081 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.692 2.353 2.649 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.063 0.178 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.629 -0.071 3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.067 1.379 2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.541 1.537 3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.156 -0.942 4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.168 0.609 5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.699 -0.123 5.106 1.00 0.00 H new ATOM 1149 N GLN A 71 -7.920 4.920 4.814 1.00 0.00 N ATOM 1150 CA GLN A 71 -8.657 6.172 4.842 1.00 0.00 C ATOM 1151 C GLN A 71 -7.691 7.355 4.925 1.00 0.00 C ATOM 1152 O GLN A 71 -7.911 8.387 4.292 1.00 0.00 O ATOM 1153 CB GLN A 71 -9.654 6.196 6.002 1.00 0.00 C ATOM 1154 CG GLN A 71 -10.111 4.781 6.362 1.00 0.00 C ATOM 1155 CD GLN A 71 -11.500 4.800 7.004 1.00 0.00 C ATOM 1156 OE1 GLN A 71 -12.521 4.820 6.336 1.00 0.00 O ATOM 1157 NE2 GLN A 71 -11.481 4.791 8.333 1.00 0.00 N ATOM 0 H GLN A 71 -8.159 4.268 5.561 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.226 6.257 3.916 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.194 6.666 6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.518 6.803 5.731 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.129 4.162 5.465 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.396 4.327 7.048 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.591 4.774 8.830 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.357 4.801 8.856 1.00 0.00 H new ATOM 1166 N ARG A 72 -6.641 7.167 5.711 1.00 0.00 N ATOM 1167 CA ARG A 72 -5.640 8.206 5.885 1.00 0.00 C ATOM 1168 C ARG A 72 -4.643 8.181 4.725 1.00 0.00 C ATOM 1169 O ARG A 72 -3.953 9.168 4.474 1.00 0.00 O ATOM 1170 CB ARG A 72 -4.884 8.027 7.203 1.00 0.00 C ATOM 1171 CG ARG A 72 -5.855 7.851 8.372 1.00 0.00 C ATOM 1172 CD ARG A 72 -5.789 9.046 9.325 1.00 0.00 C ATOM 1173 NE ARG A 72 -5.249 8.619 10.635 1.00 0.00 N ATOM 1174 CZ ARG A 72 -4.850 9.464 11.595 1.00 0.00 C ATOM 1175 NH1 ARG A 72 -4.928 10.787 11.397 1.00 0.00 N ATOM 1176 NH2 ARG A 72 -4.373 8.987 12.753 1.00 0.00 N ATOM 0 H ARG A 72 -6.462 6.310 6.235 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.157 9.165 5.904 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.229 7.158 7.136 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.247 8.893 7.382 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.871 7.740 7.992 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.616 6.936 8.914 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.159 9.827 8.899 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.783 9.474 9.454 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.176 7.618 10.819 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.291 11.150 10.516 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.624 11.431 12.128 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.314 7.980 12.904 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.069 9.631 13.483 1.00 0.00 H new ATOM 1190 N GLN A 73 -4.597 7.043 4.049 1.00 0.00 N ATOM 1191 CA GLN A 73 -3.695 6.876 2.922 1.00 0.00 C ATOM 1192 C GLN A 73 -4.220 7.642 1.706 1.00 0.00 C ATOM 1193 O GLN A 73 -3.446 8.261 0.977 1.00 0.00 O ATOM 1194 CB GLN A 73 -3.495 5.396 2.594 1.00 0.00 C ATOM 1195 CG GLN A 73 -3.170 5.202 1.111 1.00 0.00 C ATOM 1196 CD GLN A 73 -4.433 5.308 0.254 1.00 0.00 C ATOM 1197 OE1 GLN A 73 -4.515 6.083 -0.684 1.00 0.00 O ATOM 1198 NE2 GLN A 73 -5.411 4.486 0.628 1.00 0.00 N ATOM 0 H GLN A 73 -5.170 6.226 4.260 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.723 7.287 3.195 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.687 4.991 3.203 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.396 4.838 2.848 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.446 5.952 0.793 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.706 4.227 0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.276 3.862 1.423 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.295 4.480 0.119 1.00 0.00 H new ATOM 1207 N ILE A 74 -5.530 7.574 1.523 1.00 0.00 N ATOM 1208 CA ILE A 74 -6.167 8.254 0.408 1.00 0.00 C ATOM 1209 C ILE A 74 -6.300 9.743 0.732 1.00 0.00 C ATOM 1210 O ILE A 74 -6.141 10.148 1.882 1.00 0.00 O ATOM 1211 CB ILE A 74 -7.495 7.579 0.057 1.00 0.00 C ATOM 1212 CG1 ILE A 74 -7.510 7.125 -1.404 1.00 0.00 C ATOM 1213 CG2 ILE A 74 -8.677 8.493 0.385 1.00 0.00 C ATOM 1214 CD1 ILE A 74 -8.909 7.263 -2.007 1.00 0.00 C ATOM 0 H ILE A 74 -6.168 7.058 2.129 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.550 8.177 -0.488 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.598 6.685 0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.801 7.720 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.183 6.087 -1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.609 7.990 0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.673 8.725 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.592 9.417 -0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.892 6.934 -3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.611 6.648 -1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.223 8.306 -1.962 1.00 0.00 H new ATOM 1226 N PRO A 75 -6.598 10.538 -0.331 1.00 0.00 N ATOM 1227 CA PRO A 75 -6.755 11.973 -0.171 1.00 0.00 C ATOM 1228 C PRO A 75 -8.089 12.308 0.499 1.00 0.00 C ATOM 1229 O PRO A 75 -8.885 11.415 0.787 1.00 0.00 O ATOM 1230 CB PRO A 75 -6.637 12.541 -1.576 1.00 0.00 C ATOM 1231 CG PRO A 75 -6.883 11.375 -2.519 1.00 0.00 C ATOM 1232 CD PRO A 75 -6.794 10.093 -1.707 1.00 0.00 C ATOM 0 HA PRO A 75 -6.001 12.408 0.485 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.366 13.335 -1.739 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.651 12.975 -1.740 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -7.863 11.463 -2.987 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.145 11.371 -3.322 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -7.702 9.498 -1.805 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.966 9.468 -2.043 1.00 0.00 H new ATOM 1240 N LYS A 76 -8.293 13.597 0.727 1.00 0.00 N ATOM 1241 CA LYS A 76 -9.517 14.061 1.358 1.00 0.00 C ATOM 1242 C LYS A 76 -9.916 13.086 2.467 1.00 0.00 C ATOM 1243 O LYS A 76 -10.977 12.467 2.403 1.00 0.00 O ATOM 1244 CB LYS A 76 -10.610 14.280 0.309 1.00 0.00 C ATOM 1245 CG LYS A 76 -11.352 15.595 0.556 1.00 0.00 C ATOM 1246 CD LYS A 76 -12.543 15.739 -0.393 1.00 0.00 C ATOM 1247 CE LYS A 76 -12.816 17.211 -0.711 1.00 0.00 C ATOM 1248 NZ LYS A 76 -12.692 17.458 -2.165 1.00 0.00 N ATOM 0 H LYS A 76 -7.631 14.335 0.486 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.359 15.031 1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.167 14.290 -0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.316 13.450 0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.699 15.633 1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.669 16.433 0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.345 15.194 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.428 15.290 0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.816 17.483 -0.374 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.114 17.843 -0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.880 18.461 -2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.729 17.218 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.379 16.869 -2.677 1.00 0.00 H new ATOM 1262 N LEU A 77 -9.044 12.980 3.459 1.00 0.00 N ATOM 1263 CA LEU A 77 -9.291 12.091 4.581 1.00 0.00 C ATOM 1264 C LEU A 77 -10.730 12.277 5.066 1.00 0.00 C ATOM 1265 O LEU A 77 -11.556 11.375 4.930 1.00 0.00 O ATOM 1266 CB LEU A 77 -8.242 12.303 5.674 1.00 0.00 C ATOM 1267 CG LEU A 77 -7.292 11.131 5.929 1.00 0.00 C ATOM 1268 CD1 LEU A 77 -5.876 11.459 5.451 1.00 0.00 C ATOM 1269 CD2 LEU A 77 -7.318 10.714 7.401 1.00 0.00 C ATOM 0 H LEU A 77 -8.165 13.495 3.509 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.190 11.051 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.646 13.178 5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.758 12.535 6.605 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.639 10.277 5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.221 10.609 5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.892 11.669 4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.504 12.333 5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.634 9.879 7.555 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.010 11.555 8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.328 10.411 7.675 1.00 0.00 H new ATOM 1281 N ASP A 78 -10.987 13.452 5.621 1.00 0.00 N ATOM 1282 CA ASP A 78 -12.312 13.768 6.126 1.00 0.00 C ATOM 1283 C ASP A 78 -13.365 13.252 5.142 1.00 0.00 C ATOM 1284 O ASP A 78 -14.500 12.980 5.529 1.00 0.00 O ATOM 1285 CB ASP A 78 -12.501 15.279 6.271 1.00 0.00 C ATOM 1286 CG ASP A 78 -13.926 15.724 6.604 1.00 0.00 C ATOM 1287 OD1 ASP A 78 -14.805 15.503 5.743 1.00 0.00 O ATOM 1288 OD2 ASP A 78 -14.105 16.274 7.712 1.00 0.00 O ATOM 0 H ASP A 78 -10.300 14.197 5.732 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.422 13.296 7.102 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.832 15.640 7.052 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.195 15.759 5.342 1.00 0.00 H new ATOM 1293 N SER A 79 -12.950 13.134 3.889 1.00 0.00 N ATOM 1294 CA SER A 79 -13.842 12.657 2.847 1.00 0.00 C ATOM 1295 C SER A 79 -13.987 11.136 2.938 1.00 0.00 C ATOM 1296 O SER A 79 -15.091 10.624 3.118 1.00 0.00 O ATOM 1297 CB SER A 79 -13.336 13.059 1.461 1.00 0.00 C ATOM 1298 OG SER A 79 -14.404 13.393 0.579 1.00 0.00 O ATOM 0 H SER A 79 -12.007 13.361 3.572 1.00 0.00 H new ATOM 0 HA SER A 79 -14.818 13.119 2.995 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.663 13.911 1.554 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.757 12.240 1.035 1.00 0.00 H new ATOM 0 HG SER A 79 -14.093 13.334 -0.348 1.00 0.00 H new ATOM 1304 N VAL A 80 -12.856 10.457 2.811 1.00 0.00 N ATOM 1305 CA VAL A 80 -12.843 9.006 2.876 1.00 0.00 C ATOM 1306 C VAL A 80 -12.816 8.566 4.342 1.00 0.00 C ATOM 1307 O VAL A 80 -13.380 7.532 4.694 1.00 0.00 O ATOM 1308 CB VAL A 80 -11.669 8.456 2.065 1.00 0.00 C ATOM 1309 CG1 VAL A 80 -10.345 8.672 2.801 1.00 0.00 C ATOM 1310 CG2 VAL A 80 -11.876 6.977 1.733 1.00 0.00 C ATOM 0 H VAL A 80 -11.942 10.885 2.663 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.749 8.595 2.430 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.624 9.007 1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.527 8.272 2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.188 9.738 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.376 8.160 3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.027 6.611 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.960 6.405 2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.789 6.859 1.149 1.00 0.00 H new ATOM 1320 N LEU A 81 -12.153 9.374 5.156 1.00 0.00 N ATOM 1321 CA LEU A 81 -12.044 9.081 6.575 1.00 0.00 C ATOM 1322 C LEU A 81 -13.444 8.889 7.161 1.00 0.00 C ATOM 1323 O LEU A 81 -13.589 8.528 8.328 1.00 0.00 O ATOM 1324 CB LEU A 81 -11.224 10.162 7.284 1.00 0.00 C ATOM 1325 CG LEU A 81 -11.361 10.217 8.807 1.00 0.00 C ATOM 1326 CD1 LEU A 81 -12.728 10.771 9.214 1.00 0.00 C ATOM 1327 CD2 LEU A 81 -11.089 8.847 9.432 1.00 0.00 C ATOM 0 H LEU A 81 -11.686 10.231 4.860 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.502 8.148 6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.173 10.012 7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.510 11.132 6.878 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.607 10.903 9.194 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.800 10.800 10.301 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.845 11.779 8.816 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.514 10.130 8.815 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.193 8.914 10.515 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.803 8.121 9.043 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.077 8.528 9.184 1.00 0.00 H new ATOM 1339 N LYS A 82 -14.441 9.139 6.323 1.00 0.00 N ATOM 1340 CA LYS A 82 -15.824 8.998 6.743 1.00 0.00 C ATOM 1341 C LYS A 82 -16.564 8.097 5.753 1.00 0.00 C ATOM 1342 O LYS A 82 -16.570 6.876 5.904 1.00 0.00 O ATOM 1343 CB LYS A 82 -16.471 10.372 6.926 1.00 0.00 C ATOM 1344 CG LYS A 82 -17.995 10.254 7.010 1.00 0.00 C ATOM 1345 CD LYS A 82 -18.669 11.058 5.897 1.00 0.00 C ATOM 1346 CE LYS A 82 -19.491 12.212 6.474 1.00 0.00 C ATOM 1347 NZ LYS A 82 -20.622 11.694 7.274 1.00 0.00 N ATOM 0 H LYS A 82 -14.317 9.438 5.356 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.878 8.513 7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -16.088 10.840 7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -16.198 11.020 6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -18.287 9.207 6.935 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -18.338 10.612 7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.912 11.450 5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -19.315 10.404 5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -18.856 12.842 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -19.867 12.838 5.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -21.375 12.410 7.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -20.992 10.828 6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -20.296 11.479 8.238 1.00 0.00 H new ATOM 1361 N TYR A 83 -17.170 8.734 4.761 1.00 0.00 N ATOM 1362 CA TYR A 83 -17.911 8.005 3.746 1.00 0.00 C ATOM 1363 C TYR A 83 -18.215 8.898 2.542 1.00 0.00 C ATOM 1364 O TYR A 83 -19.038 8.549 1.697 1.00 0.00 O ATOM 1365 CB TYR A 83 -19.228 7.589 4.403 1.00 0.00 C ATOM 1366 CG TYR A 83 -19.350 6.085 4.656 1.00 0.00 C ATOM 1367 CD1 TYR A 83 -18.882 5.187 3.718 1.00 0.00 C ATOM 1368 CD2 TYR A 83 -19.926 5.626 5.823 1.00 0.00 C ATOM 1369 CE1 TYR A 83 -18.997 3.772 3.956 1.00 0.00 C ATOM 1370 CE2 TYR A 83 -20.040 4.210 6.061 1.00 0.00 C ATOM 1371 CZ TYR A 83 -19.570 3.353 5.116 1.00 0.00 C ATOM 1372 OH TYR A 83 -19.678 2.016 5.342 1.00 0.00 O ATOM 0 H TYR A 83 -17.163 9.747 4.639 1.00 0.00 H new ATOM 0 HA TYR A 83 -17.334 7.152 3.388 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -19.331 8.116 5.352 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -20.055 7.909 3.769 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -18.430 5.546 2.805 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -20.291 6.328 6.558 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -18.636 3.059 3.229 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -20.489 3.837 6.970 1.00 0.00 H new ATOM 0 HH TYR A 83 -20.106 1.865 6.210 1.00 0.00 H new ATOM 1382 N LYS A 84 -17.534 10.035 2.501 1.00 0.00 N ATOM 1383 CA LYS A 84 -17.722 10.981 1.415 1.00 0.00 C ATOM 1384 C LYS A 84 -17.453 10.280 0.082 1.00 0.00 C ATOM 1385 O LYS A 84 -17.663 9.074 -0.043 1.00 0.00 O ATOM 1386 CB LYS A 84 -16.864 12.228 1.637 1.00 0.00 C ATOM 1387 CG LYS A 84 -17.663 13.501 1.351 1.00 0.00 C ATOM 1388 CD LYS A 84 -16.740 14.717 1.249 1.00 0.00 C ATOM 1389 CE LYS A 84 -16.440 15.056 -0.212 1.00 0.00 C ATOM 1390 NZ LYS A 84 -17.113 16.316 -0.601 1.00 0.00 N ATOM 0 H LYS A 84 -16.852 10.322 3.203 1.00 0.00 H new ATOM 0 HA LYS A 84 -18.754 11.332 1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -16.501 12.246 2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.988 12.191 0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -18.220 13.384 0.421 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -18.395 13.661 2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.206 15.573 1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.808 14.516 1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.364 15.152 -0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.776 14.244 -0.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.899 16.531 -1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.141 16.211 -0.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.773 17.092 0.002 1.00 0.00 H new ATOM 1404 N HIS A 85 -16.993 11.065 -0.881 1.00 0.00 N ATOM 1405 CA HIS A 85 -16.693 10.534 -2.200 1.00 0.00 C ATOM 1406 C HIS A 85 -16.131 9.118 -2.068 1.00 0.00 C ATOM 1407 O HIS A 85 -16.169 8.339 -3.020 1.00 0.00 O ATOM 1408 CB HIS A 85 -15.759 11.474 -2.965 1.00 0.00 C ATOM 1409 CG HIS A 85 -16.475 12.553 -3.743 1.00 0.00 C ATOM 1410 ND1 HIS A 85 -16.166 13.896 -3.620 1.00 0.00 N ATOM 1411 CD2 HIS A 85 -17.486 12.471 -4.655 1.00 0.00 C ATOM 1412 CE1 HIS A 85 -16.963 14.583 -4.425 1.00 0.00 C ATOM 1413 NE2 HIS A 85 -17.780 13.699 -5.066 1.00 0.00 N ATOM 0 H HIS A 85 -16.821 12.065 -0.774 1.00 0.00 H new ATOM 0 HA HIS A 85 -17.609 10.470 -2.787 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -15.074 11.943 -2.259 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -15.153 10.886 -3.654 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.966 11.562 -4.986 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -16.965 15.656 -4.551 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -18.498 13.941 -5.748 1.00 0.00 H new ATOM 1421 N THR A 86 -15.621 8.826 -0.880 1.00 0.00 N ATOM 1422 CA THR A 86 -15.051 7.517 -0.611 1.00 0.00 C ATOM 1423 C THR A 86 -16.033 6.415 -1.015 1.00 0.00 C ATOM 1424 O THR A 86 -15.640 5.263 -1.193 1.00 0.00 O ATOM 1425 CB THR A 86 -14.656 7.468 0.866 1.00 0.00 C ATOM 1426 OG1 THR A 86 -14.586 6.075 1.160 1.00 0.00 O ATOM 1427 CG2 THR A 86 -15.763 7.988 1.786 1.00 0.00 C ATOM 0 H THR A 86 -15.591 9.474 -0.093 1.00 0.00 H new ATOM 0 HA THR A 86 -14.155 7.345 -1.207 1.00 0.00 H new ATOM 0 HB THR A 86 -13.751 8.056 1.020 1.00 0.00 H new ATOM 0 HG1 THR A 86 -14.334 5.951 2.099 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.431 7.931 2.823 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.989 9.024 1.534 1.00 0.00 H new ATOM 0 HG23 THR A 86 -16.658 7.380 1.658 1.00 0.00 H new ATOM 1435 N ASP A 87 -17.291 6.807 -1.148 1.00 0.00 N ATOM 1436 CA ASP A 87 -18.332 5.867 -1.527 1.00 0.00 C ATOM 1437 C ASP A 87 -17.750 4.829 -2.488 1.00 0.00 C ATOM 1438 O ASP A 87 -16.600 4.419 -2.342 1.00 0.00 O ATOM 1439 CB ASP A 87 -19.484 6.579 -2.241 1.00 0.00 C ATOM 1440 CG ASP A 87 -19.732 8.019 -1.790 1.00 0.00 C ATOM 1441 OD1 ASP A 87 -20.020 8.196 -0.587 1.00 0.00 O ATOM 1442 OD2 ASP A 87 -19.628 8.912 -2.659 1.00 0.00 O ATOM 0 H ASP A 87 -17.613 7.763 -1.000 1.00 0.00 H new ATOM 0 HA ASP A 87 -18.707 5.395 -0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.283 6.579 -3.312 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -20.397 6.004 -2.088 1.00 0.00 H new ATOM 1447 N PRO A 88 -18.593 4.422 -3.474 1.00 0.00 N ATOM 1448 CA PRO A 88 -18.175 3.438 -4.459 1.00 0.00 C ATOM 1449 C PRO A 88 -17.222 4.059 -5.482 1.00 0.00 C ATOM 1450 O PRO A 88 -17.037 3.519 -6.571 1.00 0.00 O ATOM 1451 CB PRO A 88 -19.465 2.930 -5.080 1.00 0.00 C ATOM 1452 CG PRO A 88 -20.523 3.972 -4.756 1.00 0.00 C ATOM 1453 CD PRO A 88 -19.963 4.885 -3.677 1.00 0.00 C ATOM 0 HA PRO A 88 -17.610 2.616 -4.020 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.357 2.805 -6.157 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.738 1.957 -4.672 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -20.779 4.546 -5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -21.439 3.492 -4.412 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -19.986 5.929 -3.990 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.545 4.815 -2.758 1.00 0.00 H new ATOM 1461 N THR A 89 -16.641 5.186 -5.095 1.00 0.00 N ATOM 1462 CA THR A 89 -15.712 5.886 -5.966 1.00 0.00 C ATOM 1463 C THR A 89 -14.338 5.214 -5.929 1.00 0.00 C ATOM 1464 O THR A 89 -13.750 4.936 -6.974 1.00 0.00 O ATOM 1465 CB THR A 89 -15.681 7.355 -5.540 1.00 0.00 C ATOM 1466 OG1 THR A 89 -15.418 8.061 -6.750 1.00 0.00 O ATOM 1467 CG2 THR A 89 -14.481 7.682 -4.649 1.00 0.00 C ATOM 0 H THR A 89 -16.796 5.631 -4.190 1.00 0.00 H new ATOM 0 HA THR A 89 -16.034 5.841 -7.006 1.00 0.00 H new ATOM 0 HB THR A 89 -16.602 7.599 -5.011 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.382 9.023 -6.566 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.507 8.737 -4.376 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.521 7.072 -3.746 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.558 7.470 -5.189 1.00 0.00 H new ATOM 1475 N PHE A 90 -13.865 4.971 -4.715 1.00 0.00 N ATOM 1476 CA PHE A 90 -12.571 4.337 -4.529 1.00 0.00 C ATOM 1477 C PHE A 90 -12.726 2.833 -4.297 1.00 0.00 C ATOM 1478 O PHE A 90 -11.777 2.072 -4.480 1.00 0.00 O ATOM 1479 CB PHE A 90 -11.937 4.970 -3.289 1.00 0.00 C ATOM 1480 CG PHE A 90 -11.442 6.401 -3.504 1.00 0.00 C ATOM 1481 CD1 PHE A 90 -10.669 6.698 -4.582 1.00 0.00 C ATOM 1482 CD2 PHE A 90 -11.776 7.377 -2.617 1.00 0.00 C ATOM 1483 CE1 PHE A 90 -10.209 8.027 -4.782 1.00 0.00 C ATOM 1484 CE2 PHE A 90 -11.316 8.705 -2.817 1.00 0.00 C ATOM 1485 CZ PHE A 90 -10.543 9.002 -3.895 1.00 0.00 C ATOM 0 H PHE A 90 -14.355 5.202 -3.851 1.00 0.00 H new ATOM 0 HA PHE A 90 -11.956 4.479 -5.418 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -12.666 4.967 -2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.099 4.352 -2.966 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.405 5.923 -5.287 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.391 7.142 -1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.594 8.263 -5.638 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -11.580 9.480 -2.112 1.00 0.00 H new ATOM 0 HZ PHE A 90 -10.194 10.013 -4.047 1.00 0.00 H new ATOM 1495 N GLY A 91 -13.930 2.449 -3.899 1.00 0.00 N ATOM 1496 CA GLY A 91 -14.222 1.049 -3.640 1.00 0.00 C ATOM 1497 C GLY A 91 -13.704 0.162 -4.775 1.00 0.00 C ATOM 1498 O GLY A 91 -12.683 0.468 -5.390 1.00 0.00 O ATOM 0 H GLY A 91 -14.715 3.083 -3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.763 0.746 -2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.298 0.913 -3.529 1.00 0.00 H new ATOM 1502 N MET A 92 -14.430 -0.919 -5.017 1.00 0.00 N ATOM 1503 CA MET A 92 -14.057 -1.852 -6.066 1.00 0.00 C ATOM 1504 C MET A 92 -12.846 -1.340 -6.850 1.00 0.00 C ATOM 1505 O MET A 92 -11.775 -1.944 -6.808 1.00 0.00 O ATOM 1506 CB MET A 92 -15.237 -2.046 -7.020 1.00 0.00 C ATOM 1507 CG MET A 92 -16.041 -0.753 -7.170 1.00 0.00 C ATOM 1508 SD MET A 92 -17.260 -0.638 -5.871 1.00 0.00 S ATOM 1509 CE MET A 92 -16.903 0.998 -5.254 1.00 0.00 C ATOM 0 H MET A 92 -15.275 -1.170 -4.504 1.00 0.00 H new ATOM 0 HA MET A 92 -13.792 -2.803 -5.603 1.00 0.00 H new ATOM 0 HB2 MET A 92 -14.871 -2.366 -7.996 1.00 0.00 H new ATOM 0 HB3 MET A 92 -15.884 -2.839 -6.646 1.00 0.00 H new ATOM 0 HG2 MET A 92 -15.373 0.107 -7.130 1.00 0.00 H new ATOM 0 HG3 MET A 92 -16.531 -0.731 -8.143 1.00 0.00 H new ATOM 0 HE1 MET A 92 -17.023 1.013 -4.171 1.00 0.00 H new ATOM 0 HE2 MET A 92 -15.878 1.267 -5.509 1.00 0.00 H new ATOM 0 HE3 MET A 92 -17.589 1.715 -5.705 1.00 0.00 H new ATOM 1519 N ASP A 93 -13.057 -0.232 -7.545 1.00 0.00 N ATOM 1520 CA ASP A 93 -11.996 0.367 -8.337 1.00 0.00 C ATOM 1521 C ASP A 93 -11.563 1.684 -7.688 1.00 0.00 C ATOM 1522 O ASP A 93 -12.279 2.681 -7.762 1.00 0.00 O ATOM 1523 CB ASP A 93 -12.475 0.675 -9.757 1.00 0.00 C ATOM 1524 CG ASP A 93 -12.005 -0.313 -10.826 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -10.800 -0.646 -10.800 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -12.860 -0.713 -11.645 1.00 0.00 O ATOM 0 H ASP A 93 -13.946 0.266 -7.576 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.168 -0.340 -8.381 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.565 0.699 -9.760 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.134 1.673 -10.031 1.00 0.00 H new ATOM 1531 N LEU A 94 -10.394 1.644 -7.067 1.00 0.00 N ATOM 1532 CA LEU A 94 -9.857 2.822 -6.405 1.00 0.00 C ATOM 1533 C LEU A 94 -9.005 3.615 -7.398 1.00 0.00 C ATOM 1534 O LEU A 94 -9.227 4.808 -7.598 1.00 0.00 O ATOM 1535 CB LEU A 94 -9.109 2.426 -5.131 1.00 0.00 C ATOM 1536 CG LEU A 94 -7.859 3.246 -4.805 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -8.218 4.497 -4.000 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -6.810 2.388 -4.095 1.00 0.00 C ATOM 0 H LEU A 94 -9.803 0.815 -7.008 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.664 3.479 -6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.798 2.502 -4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.821 1.378 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.417 3.583 -5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.312 5.062 -3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.902 5.118 -4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.697 4.204 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.932 2.995 -3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.226 2.000 -3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.524 1.556 -4.739 1.00 0.00 H new ATOM 1550 N GLN A 95 -8.047 2.920 -7.994 1.00 0.00 N ATOM 1551 CA GLN A 95 -7.160 3.544 -8.961 1.00 0.00 C ATOM 1552 C GLN A 95 -7.972 4.303 -10.013 1.00 0.00 C ATOM 1553 O GLN A 95 -7.477 5.253 -10.618 1.00 0.00 O ATOM 1554 CB GLN A 95 -6.246 2.507 -9.616 1.00 0.00 C ATOM 1555 CG GLN A 95 -4.799 3.002 -9.660 1.00 0.00 C ATOM 1556 CD GLN A 95 -4.719 4.412 -10.246 1.00 0.00 C ATOM 1557 OE1 GLN A 95 -4.669 5.405 -9.539 1.00 0.00 O ATOM 1558 NE2 GLN A 95 -4.709 4.445 -11.576 1.00 0.00 N ATOM 0 H GLN A 95 -7.866 1.930 -7.826 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.526 4.258 -8.436 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.297 1.570 -9.061 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.594 2.298 -10.628 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.379 2.998 -8.654 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.196 2.320 -10.260 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.753 3.576 -12.108 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.657 5.339 -12.064 1.00 0.00 H new ATOM 1567 N LYS A 96 -9.205 3.854 -10.199 1.00 0.00 N ATOM 1568 CA LYS A 96 -10.090 4.479 -11.168 1.00 0.00 C ATOM 1569 C LYS A 96 -10.427 5.897 -10.704 1.00 0.00 C ATOM 1570 O LYS A 96 -10.700 6.773 -11.523 1.00 0.00 O ATOM 1571 CB LYS A 96 -11.320 3.603 -11.412 1.00 0.00 C ATOM 1572 CG LYS A 96 -10.917 2.228 -11.949 1.00 0.00 C ATOM 1573 CD LYS A 96 -9.782 2.349 -12.968 1.00 0.00 C ATOM 1574 CE LYS A 96 -10.168 3.294 -14.108 1.00 0.00 C ATOM 1575 NZ LYS A 96 -10.889 2.557 -15.171 1.00 0.00 N ATOM 0 H LYS A 96 -9.612 3.066 -9.696 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.594 4.569 -12.135 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.877 3.485 -10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.985 4.094 -12.122 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.603 1.589 -11.124 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.778 1.748 -12.414 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.883 2.717 -12.474 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.544 1.365 -13.371 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.796 4.098 -13.725 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.273 3.758 -14.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.144 3.213 -15.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.277 1.805 -15.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.753 2.135 -14.776 1.00 0.00 H new ATOM 1589 N CYS A 97 -10.397 6.079 -9.392 1.00 0.00 N ATOM 1590 CA CYS A 97 -10.696 7.376 -8.810 1.00 0.00 C ATOM 1591 C CYS A 97 -9.374 8.062 -8.460 1.00 0.00 C ATOM 1592 O CYS A 97 -9.216 9.263 -8.677 1.00 0.00 O ATOM 1593 CB CYS A 97 -11.614 7.251 -7.592 1.00 0.00 C ATOM 1594 SG CYS A 97 -12.807 8.638 -7.563 1.00 0.00 S ATOM 0 H CYS A 97 -10.170 5.350 -8.716 1.00 0.00 H new ATOM 0 HA CYS A 97 -11.240 7.985 -9.532 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -12.148 6.302 -7.625 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -11.021 7.251 -6.678 1.00 0.00 H new ATOM 0 HG CYS A 97 -13.961 8.209 -7.147 1.00 0.00 H new ATOM 1600 N VAL A 98 -8.457 7.270 -7.923 1.00 0.00 N ATOM 1601 CA VAL A 98 -7.153 7.786 -7.541 1.00 0.00 C ATOM 1602 C VAL A 98 -6.323 8.045 -8.800 1.00 0.00 C ATOM 1603 O VAL A 98 -5.417 8.877 -8.790 1.00 0.00 O ATOM 1604 CB VAL A 98 -6.475 6.823 -6.565 1.00 0.00 C ATOM 1605 CG1 VAL A 98 -4.952 6.905 -6.684 1.00 0.00 C ATOM 1606 CG2 VAL A 98 -6.928 7.088 -5.128 1.00 0.00 C ATOM 0 H VAL A 98 -8.591 6.275 -7.743 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.256 8.737 -7.019 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.778 5.810 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.494 6.211 -5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.652 6.643 -7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.624 7.920 -6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.431 6.389 -4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.669 8.109 -4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.007 6.955 -5.056 1.00 0.00 H new ATOM 1616 N GLN A 99 -6.663 7.318 -9.854 1.00 0.00 N ATOM 1617 CA GLN A 99 -5.960 7.459 -11.118 1.00 0.00 C ATOM 1618 C GLN A 99 -5.573 8.921 -11.350 1.00 0.00 C ATOM 1619 O GLN A 99 -4.555 9.204 -11.980 1.00 0.00 O ATOM 1620 CB GLN A 99 -6.804 6.925 -12.277 1.00 0.00 C ATOM 1621 CG GLN A 99 -8.288 7.229 -12.060 1.00 0.00 C ATOM 1622 CD GLN A 99 -8.742 8.399 -12.935 1.00 0.00 C ATOM 1623 OE1 GLN A 99 -9.285 9.385 -12.465 1.00 0.00 O ATOM 1624 NE2 GLN A 99 -8.490 8.235 -14.231 1.00 0.00 N ATOM 0 H GLN A 99 -7.416 6.630 -9.859 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.047 6.865 -11.072 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -6.470 7.374 -13.212 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -6.660 5.849 -12.371 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -8.882 6.345 -12.292 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.465 7.465 -11.011 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.032 7.384 -14.558 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.755 8.960 -14.898 1.00 0.00 H new ATOM 1633 N ARG A 100 -6.405 9.810 -10.829 1.00 0.00 N ATOM 1634 CA ARG A 100 -6.162 11.235 -10.971 1.00 0.00 C ATOM 1635 C ARG A 100 -7.436 12.024 -10.664 1.00 0.00 C ATOM 1636 O ARG A 100 -7.370 13.155 -10.185 1.00 0.00 O ATOM 1637 CB ARG A 100 -5.688 11.575 -12.386 1.00 0.00 C ATOM 1638 CG ARG A 100 -6.569 10.896 -13.437 1.00 0.00 C ATOM 1639 CD ARG A 100 -7.114 11.917 -14.437 1.00 0.00 C ATOM 1640 NE ARG A 100 -8.592 11.949 -14.373 1.00 0.00 N ATOM 1641 CZ ARG A 100 -9.356 12.805 -15.064 1.00 0.00 C ATOM 1642 NH1 ARG A 100 -8.786 13.706 -15.876 1.00 0.00 N ATOM 1643 NH2 ARG A 100 -10.690 12.762 -14.943 1.00 0.00 N ATOM 0 H ARG A 100 -7.249 9.571 -10.308 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.381 11.510 -10.263 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.710 12.655 -12.531 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.653 11.257 -12.513 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.992 10.137 -13.965 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -7.397 10.384 -12.947 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.711 12.905 -14.216 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.791 11.659 -15.445 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.058 11.277 -13.764 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.771 13.740 -15.968 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.367 14.358 -16.402 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -11.124 12.077 -14.324 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.271 13.414 -15.470 1.00 0.00 H new ATOM 1657 N GLY A 101 -8.567 11.397 -10.954 1.00 0.00 N ATOM 1658 CA GLY A 101 -9.854 12.026 -10.715 1.00 0.00 C ATOM 1659 C GLY A 101 -9.902 12.667 -9.327 1.00 0.00 C ATOM 1660 O GLY A 101 -9.436 13.790 -9.141 1.00 0.00 O ATOM 0 H GLY A 101 -8.618 10.459 -11.352 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.039 12.784 -11.476 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.648 11.284 -10.804 1.00 0.00 H new ATOM 1664 N LEU A 102 -10.470 11.926 -8.387 1.00 0.00 N ATOM 1665 CA LEU A 102 -10.585 12.408 -7.021 1.00 0.00 C ATOM 1666 C LEU A 102 -9.351 13.243 -6.674 1.00 0.00 C ATOM 1667 O LEU A 102 -9.324 14.449 -6.918 1.00 0.00 O ATOM 1668 CB LEU A 102 -10.829 11.243 -6.060 1.00 0.00 C ATOM 1669 CG LEU A 102 -11.833 11.501 -4.934 1.00 0.00 C ATOM 1670 CD1 LEU A 102 -11.178 12.260 -3.779 1.00 0.00 C ATOM 1671 CD2 LEU A 102 -13.076 12.221 -5.462 1.00 0.00 C ATOM 0 H LEU A 102 -10.856 10.995 -8.544 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.452 13.061 -6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.175 10.387 -6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.876 10.961 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.161 10.539 -4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.913 12.430 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.350 11.673 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.803 13.218 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.773 12.392 -4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.785 13.177 -5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -13.556 11.607 -6.224 1.00 0.00 H new ATOM 1683 N TRP A 103 -8.360 12.570 -6.110 1.00 0.00 N ATOM 1684 CA TRP A 103 -7.126 13.234 -5.727 1.00 0.00 C ATOM 1685 C TRP A 103 -5.986 12.221 -5.848 1.00 0.00 C ATOM 1686 O TRP A 103 -6.213 11.014 -5.777 1.00 0.00 O ATOM 1687 CB TRP A 103 -7.241 13.840 -4.327 1.00 0.00 C ATOM 1688 CG TRP A 103 -7.214 15.370 -4.306 1.00 0.00 C ATOM 1689 CD1 TRP A 103 -7.544 16.214 -5.293 1.00 0.00 C ATOM 1690 CD2 TRP A 103 -6.821 16.208 -3.199 1.00 0.00 C ATOM 1691 NE1 TRP A 103 -7.393 17.530 -4.905 1.00 0.00 N ATOM 1692 CE2 TRP A 103 -6.939 17.526 -3.591 1.00 0.00 C ATOM 1693 CE3 TRP A 103 -6.380 15.864 -1.909 1.00 0.00 C ATOM 1694 CZ2 TRP A 103 -6.635 18.605 -2.753 1.00 0.00 C ATOM 1695 CZ3 TRP A 103 -6.080 16.954 -1.084 1.00 0.00 C ATOM 1696 CH2 TRP A 103 -6.194 18.286 -1.463 1.00 0.00 C ATOM 0 H TRP A 103 -8.386 11.570 -5.909 1.00 0.00 H new ATOM 0 HA TRP A 103 -6.918 14.073 -6.391 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.169 13.497 -3.869 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.424 13.464 -3.711 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -7.885 15.904 -6.270 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -7.580 18.354 -5.477 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.281 14.840 -1.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -6.735 19.628 -3.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -5.736 16.745 -0.082 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -5.944 19.072 -0.766 1.00 0.00 H new ATOM 1707 N ASN A 104 -4.784 12.749 -6.028 1.00 0.00 N ATOM 1708 CA ASN A 104 -3.608 11.906 -6.159 1.00 0.00 C ATOM 1709 C ASN A 104 -2.925 11.775 -4.797 1.00 0.00 C ATOM 1710 O ASN A 104 -2.231 12.689 -4.356 1.00 0.00 O ATOM 1711 CB ASN A 104 -2.600 12.514 -7.137 1.00 0.00 C ATOM 1712 CG ASN A 104 -2.529 14.034 -6.976 1.00 0.00 C ATOM 1713 OD1 ASN A 104 -3.532 14.726 -6.921 1.00 0.00 O ATOM 1714 ND2 ASN A 104 -1.290 14.513 -6.903 1.00 0.00 N ATOM 0 H ASN A 104 -4.599 13.750 -6.086 1.00 0.00 H new ATOM 0 HA ASN A 104 -3.930 10.934 -6.532 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -1.615 12.080 -6.966 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.885 12.266 -8.159 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -1.136 15.515 -6.794 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -0.494 13.878 -6.956 1.00 0.00 H new ATOM 1721 N PRO A 105 -3.151 10.600 -4.151 1.00 0.00 N ATOM 1722 CA PRO A 105 -2.566 10.337 -2.847 1.00 0.00 C ATOM 1723 C PRO A 105 -1.073 10.022 -2.970 1.00 0.00 C ATOM 1724 O PRO A 105 -0.366 9.947 -1.966 1.00 0.00 O ATOM 1725 CB PRO A 105 -3.372 9.181 -2.279 1.00 0.00 C ATOM 1726 CG PRO A 105 -4.070 8.537 -3.466 1.00 0.00 C ATOM 1727 CD PRO A 105 -3.968 9.494 -4.642 1.00 0.00 C ATOM 0 HA PRO A 105 -2.612 11.200 -2.183 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.725 8.466 -1.771 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.096 9.533 -1.544 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.605 7.582 -3.710 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.114 8.332 -3.230 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.506 9.013 -5.505 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.952 9.839 -4.958 1.00 0.00 H new ATOM 1735 N LYS A 106 -0.638 9.846 -4.209 1.00 0.00 N ATOM 1736 CA LYS A 106 0.757 9.541 -4.476 1.00 0.00 C ATOM 1737 C LYS A 106 1.347 8.786 -3.283 1.00 0.00 C ATOM 1738 O LYS A 106 2.529 8.931 -2.975 1.00 0.00 O ATOM 1739 CB LYS A 106 1.524 10.814 -4.838 1.00 0.00 C ATOM 1740 CG LYS A 106 2.490 11.209 -3.720 1.00 0.00 C ATOM 1741 CD LYS A 106 1.738 11.477 -2.414 1.00 0.00 C ATOM 1742 CE LYS A 106 0.471 12.294 -2.670 1.00 0.00 C ATOM 1743 NZ LYS A 106 -0.298 12.465 -1.416 1.00 0.00 N ATOM 0 H LYS A 106 -1.227 9.909 -5.039 1.00 0.00 H new ATOM 0 HA LYS A 106 0.844 8.886 -5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.078 10.658 -5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 106 0.821 11.627 -5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.219 10.414 -3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 106 3.046 12.100 -4.013 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.476 10.531 -1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.386 12.012 -1.720 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.736 13.270 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -0.146 11.795 -3.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.164 13.007 -1.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -0.553 11.531 -1.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.282 12.976 -0.720 1.00 0.00 H new ATOM 1757 N GLU A 107 0.496 7.996 -2.644 1.00 0.00 N ATOM 1758 CA GLU A 107 0.918 7.218 -1.492 1.00 0.00 C ATOM 1759 C GLU A 107 1.081 5.746 -1.876 1.00 0.00 C ATOM 1760 O GLU A 107 0.413 5.261 -2.789 1.00 0.00 O ATOM 1761 CB GLU A 107 -0.067 7.377 -0.333 1.00 0.00 C ATOM 1762 CG GLU A 107 0.326 8.553 0.564 1.00 0.00 C ATOM 1763 CD GLU A 107 0.655 8.076 1.980 1.00 0.00 C ATOM 1764 OE1 GLU A 107 0.029 7.081 2.405 1.00 0.00 O ATOM 1765 OE2 GLU A 107 1.526 8.718 2.606 1.00 0.00 O ATOM 0 H GLU A 107 -0.484 7.878 -2.903 1.00 0.00 H new ATOM 0 HA GLU A 107 1.885 7.595 -1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.072 7.534 -0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.093 6.460 0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.189 9.066 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.489 9.276 0.600 1.00 0.00 H new ATOM 1772 N ALA A 108 1.971 5.075 -1.160 1.00 0.00 N ATOM 1773 CA ALA A 108 2.229 3.668 -1.414 1.00 0.00 C ATOM 1774 C ALA A 108 1.799 2.847 -0.198 1.00 0.00 C ATOM 1775 O ALA A 108 2.176 3.158 0.931 1.00 0.00 O ATOM 1776 CB ALA A 108 3.708 3.474 -1.755 1.00 0.00 C ATOM 0 H ALA A 108 2.523 5.480 -0.404 1.00 0.00 H new ATOM 0 HA ALA A 108 1.649 3.320 -2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.902 2.418 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.956 4.055 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.321 3.810 -0.919 1.00 0.00 H new ATOM 1782 N LEU A 109 1.014 1.814 -0.468 1.00 0.00 N ATOM 1783 CA LEU A 109 0.528 0.946 0.590 1.00 0.00 C ATOM 1784 C LEU A 109 1.323 -0.361 0.577 1.00 0.00 C ATOM 1785 O LEU A 109 1.235 -1.136 -0.374 1.00 0.00 O ATOM 1786 CB LEU A 109 -0.984 0.747 0.468 1.00 0.00 C ATOM 1787 CG LEU A 109 -1.856 1.883 1.008 1.00 0.00 C ATOM 1788 CD1 LEU A 109 -3.264 1.824 0.413 1.00 0.00 C ATOM 1789 CD2 LEU A 109 -1.879 1.877 2.537 1.00 0.00 C ATOM 0 H LEU A 109 0.703 1.559 -1.405 1.00 0.00 H new ATOM 0 HA LEU A 109 0.688 1.407 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.227 0.598 -0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.253 -0.171 0.991 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.415 2.830 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.863 2.642 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.205 1.915 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.729 0.873 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.506 2.694 2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.283 0.928 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.865 2.004 2.917 1.00 0.00 H new ATOM 1801 N TRP A 110 2.081 -0.566 1.645 1.00 0.00 N ATOM 1802 CA TRP A 110 2.891 -1.766 1.768 1.00 0.00 C ATOM 1803 C TRP A 110 2.283 -2.635 2.871 1.00 0.00 C ATOM 1804 O TRP A 110 1.983 -2.145 3.958 1.00 0.00 O ATOM 1805 CB TRP A 110 4.357 -1.414 2.024 1.00 0.00 C ATOM 1806 CG TRP A 110 4.713 -1.266 3.505 1.00 0.00 C ATOM 1807 CD1 TRP A 110 5.086 -0.156 4.157 1.00 0.00 C ATOM 1808 CD2 TRP A 110 4.712 -2.313 4.498 1.00 0.00 C ATOM 1809 NE1 TRP A 110 5.325 -0.411 5.492 1.00 0.00 N ATOM 1810 CE2 TRP A 110 5.091 -1.764 5.706 1.00 0.00 C ATOM 1811 CE3 TRP A 110 4.402 -3.679 4.379 1.00 0.00 C ATOM 1812 CZ2 TRP A 110 5.195 -2.508 6.887 1.00 0.00 C ATOM 1813 CZ3 TRP A 110 4.511 -4.409 5.569 1.00 0.00 C ATOM 1814 CH2 TRP A 110 4.890 -3.871 6.793 1.00 0.00 C ATOM 0 H TRP A 110 2.151 0.079 2.432 1.00 0.00 H new ATOM 0 HA TRP A 110 2.887 -2.332 0.836 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.987 -2.187 1.585 1.00 0.00 H new ATOM 0 HB3 TRP A 110 4.591 -0.482 1.510 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.187 0.815 3.696 1.00 0.00 H new ATOM 0 HE1 TRP A 110 5.619 0.269 6.193 1.00 0.00 H new ATOM 0 HE3 TRP A 110 4.103 -4.130 3.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 5.494 -2.055 7.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 4.285 -5.464 5.533 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.949 -4.502 7.668 1.00 0.00 H new ATOM 1825 N VAL A 111 2.121 -3.911 2.552 1.00 0.00 N ATOM 1826 CA VAL A 111 1.555 -4.853 3.503 1.00 0.00 C ATOM 1827 C VAL A 111 2.007 -6.270 3.141 1.00 0.00 C ATOM 1828 O VAL A 111 1.844 -6.705 2.003 1.00 0.00 O ATOM 1829 CB VAL A 111 0.033 -4.704 3.544 1.00 0.00 C ATOM 1830 CG1 VAL A 111 -0.368 -3.263 3.866 1.00 0.00 C ATOM 1831 CG2 VAL A 111 -0.600 -5.169 2.231 1.00 0.00 C ATOM 0 H VAL A 111 2.372 -4.314 1.649 1.00 0.00 H new ATOM 0 HA VAL A 111 1.916 -4.643 4.510 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.344 -5.343 4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.455 -3.184 3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.037 -2.981 4.838 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.028 -2.595 3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.682 -5.052 2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.213 -4.569 1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.357 -6.218 2.061 1.00 0.00 H new ATOM 1841 N ASP A 112 2.566 -6.949 4.132 1.00 0.00 N ATOM 1842 CA ASP A 112 3.043 -8.307 3.933 1.00 0.00 C ATOM 1843 C ASP A 112 2.079 -9.285 4.608 1.00 0.00 C ATOM 1844 O ASP A 112 1.525 -8.986 5.665 1.00 0.00 O ATOM 1845 CB ASP A 112 4.427 -8.501 4.554 1.00 0.00 C ATOM 1846 CG ASP A 112 5.585 -7.904 3.753 1.00 0.00 C ATOM 1847 OD1 ASP A 112 5.345 -6.869 3.094 1.00 0.00 O ATOM 1848 OD2 ASP A 112 6.684 -8.496 3.817 1.00 0.00 O ATOM 0 H ASP A 112 2.699 -6.584 5.075 1.00 0.00 H new ATOM 0 HA ASP A 112 3.101 -8.491 2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 112 4.427 -8.057 5.550 1.00 0.00 H new ATOM 0 HB3 ASP A 112 4.605 -9.569 4.681 1.00 0.00 H new ATOM 1853 N TRP A 113 1.910 -10.434 3.970 1.00 0.00 N ATOM 1854 CA TRP A 113 1.023 -11.458 4.496 1.00 0.00 C ATOM 1855 C TRP A 113 1.867 -12.692 4.823 1.00 0.00 C ATOM 1856 O TRP A 113 1.331 -13.732 5.201 1.00 0.00 O ATOM 1857 CB TRP A 113 -0.115 -11.754 3.517 1.00 0.00 C ATOM 1858 CG TRP A 113 -1.409 -12.216 4.189 1.00 0.00 C ATOM 1859 CD1 TRP A 113 -2.456 -11.468 4.566 1.00 0.00 C ATOM 1860 CD2 TRP A 113 -1.755 -13.570 4.551 1.00 0.00 C ATOM 1861 NE1 TRP A 113 -3.446 -12.238 5.141 1.00 0.00 N ATOM 1862 CE2 TRP A 113 -3.006 -13.556 5.132 1.00 0.00 C ATOM 1863 CE3 TRP A 113 -1.034 -14.766 4.392 1.00 0.00 C ATOM 1864 CZ2 TRP A 113 -3.646 -14.710 5.601 1.00 0.00 C ATOM 1865 CZ3 TRP A 113 -1.687 -15.910 4.866 1.00 0.00 C ATOM 1866 CH2 TRP A 113 -2.947 -15.913 5.453 1.00 0.00 C ATOM 0 H TRP A 113 2.372 -10.678 3.094 1.00 0.00 H new ATOM 0 HA TRP A 113 0.538 -11.116 5.410 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -0.321 -10.857 2.933 1.00 0.00 H new ATOM 0 HB3 TRP A 113 0.213 -12.522 2.816 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -2.517 -10.398 4.436 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -4.337 -11.902 5.506 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.054 -14.800 3.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.626 -14.673 6.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.176 -16.856 4.769 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -3.385 -16.840 5.793 1.00 0.00 H new ATOM 1877 N GLU A 114 3.173 -12.535 4.664 1.00 0.00 N ATOM 1878 CA GLU A 114 4.096 -13.623 4.938 1.00 0.00 C ATOM 1879 C GLU A 114 4.559 -13.573 6.395 1.00 0.00 C ATOM 1880 O GLU A 114 4.601 -14.600 7.072 1.00 0.00 O ATOM 1881 CB GLU A 114 5.290 -13.582 3.982 1.00 0.00 C ATOM 1882 CG GLU A 114 5.248 -14.757 3.002 1.00 0.00 C ATOM 1883 CD GLU A 114 5.041 -16.080 3.741 1.00 0.00 C ATOM 1884 OE1 GLU A 114 5.889 -16.385 4.607 1.00 0.00 O ATOM 1885 OE2 GLU A 114 4.039 -16.757 3.423 1.00 0.00 O ATOM 0 H GLU A 114 3.614 -11.671 4.349 1.00 0.00 H new ATOM 0 HA GLU A 114 3.574 -14.566 4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.286 -12.642 3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.218 -13.612 4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.442 -14.608 2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.178 -14.795 2.434 1.00 0.00 H new ATOM 1892 N ASN A 115 4.895 -12.370 6.835 1.00 0.00 N ATOM 1893 CA ASN A 115 5.353 -12.173 8.200 1.00 0.00 C ATOM 1894 C ASN A 115 4.333 -11.321 8.958 1.00 0.00 C ATOM 1895 O ASN A 115 4.653 -10.736 9.992 1.00 0.00 O ATOM 1896 CB ASN A 115 6.696 -11.440 8.230 1.00 0.00 C ATOM 1897 CG ASN A 115 7.798 -12.339 8.792 1.00 0.00 C ATOM 1898 OD1 ASN A 115 8.324 -12.120 9.872 1.00 0.00 O ATOM 1899 ND2 ASN A 115 8.119 -13.361 8.003 1.00 0.00 N ATOM 0 H ASN A 115 4.859 -11.521 6.270 1.00 0.00 H new ATOM 0 HA ASN A 115 5.467 -13.154 8.662 1.00 0.00 H new ATOM 0 HB2 ASN A 115 6.962 -11.119 7.223 1.00 0.00 H new ATOM 0 HB3 ASN A 115 6.610 -10.540 8.839 1.00 0.00 H new ATOM 0 HD21 ASN A 115 8.844 -14.019 8.290 1.00 0.00 H new ATOM 0 HD22 ASN A 115 7.640 -13.487 7.111 1.00 0.00 H new ATOM 1906 N LYS A 116 3.125 -11.279 8.415 1.00 0.00 N ATOM 1907 CA LYS A 116 2.056 -10.508 9.027 1.00 0.00 C ATOM 1908 C LYS A 116 2.540 -9.078 9.273 1.00 0.00 C ATOM 1909 O LYS A 116 2.398 -8.552 10.376 1.00 0.00 O ATOM 1910 CB LYS A 116 1.544 -11.209 10.287 1.00 0.00 C ATOM 1911 CG LYS A 116 2.541 -11.066 11.438 1.00 0.00 C ATOM 1912 CD LYS A 116 3.400 -12.324 11.580 1.00 0.00 C ATOM 1913 CE LYS A 116 2.928 -13.181 12.756 1.00 0.00 C ATOM 1914 NZ LYS A 116 3.064 -14.619 12.437 1.00 0.00 N ATOM 0 H LYS A 116 2.863 -11.766 7.558 1.00 0.00 H new ATOM 0 HA LYS A 116 1.200 -10.444 8.355 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.583 -10.784 10.579 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.375 -12.265 10.077 1.00 0.00 H new ATOM 0 HG2 LYS A 116 3.182 -10.202 11.263 1.00 0.00 H new ATOM 0 HG3 LYS A 116 2.004 -10.881 12.368 1.00 0.00 H new ATOM 0 HD2 LYS A 116 3.353 -12.906 10.660 1.00 0.00 H new ATOM 0 HD3 LYS A 116 4.443 -12.042 11.726 1.00 0.00 H new ATOM 0 HE2 LYS A 116 3.512 -12.943 13.645 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.888 -12.951 12.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 2.739 -15.186 13.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 2.487 -14.845 11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 4.061 -14.838 12.239 1.00 0.00 H new ATOM 1928 N LEU A 117 3.101 -8.489 8.227 1.00 0.00 N ATOM 1929 CA LEU A 117 3.607 -7.130 8.315 1.00 0.00 C ATOM 1930 C LEU A 117 2.691 -6.197 7.521 1.00 0.00 C ATOM 1931 O LEU A 117 2.187 -6.569 6.463 1.00 0.00 O ATOM 1932 CB LEU A 117 5.072 -7.074 7.877 1.00 0.00 C ATOM 1933 CG LEU A 117 6.089 -6.756 8.975 1.00 0.00 C ATOM 1934 CD1 LEU A 117 7.519 -6.841 8.439 1.00 0.00 C ATOM 1935 CD2 LEU A 117 5.797 -5.397 9.616 1.00 0.00 C ATOM 0 H LEU A 117 3.216 -8.928 7.314 1.00 0.00 H new ATOM 0 HA LEU A 117 3.595 -6.785 9.349 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.335 -8.034 7.433 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.168 -6.323 7.092 1.00 0.00 H new ATOM 0 HG LEU A 117 5.993 -7.509 9.758 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.222 -6.611 9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 117 7.709 -7.848 8.068 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.646 -6.125 7.627 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.534 -5.195 10.393 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.848 -4.618 8.856 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.800 -5.409 10.056 1.00 0.00 H new ATOM 1947 N VAL A 118 2.503 -5.002 8.062 1.00 0.00 N ATOM 1948 CA VAL A 118 1.657 -4.013 7.417 1.00 0.00 C ATOM 1949 C VAL A 118 2.164 -2.611 7.761 1.00 0.00 C ATOM 1950 O VAL A 118 2.622 -2.370 8.877 1.00 0.00 O ATOM 1951 CB VAL A 118 0.196 -4.234 7.815 1.00 0.00 C ATOM 1952 CG1 VAL A 118 -0.612 -2.943 7.673 1.00 0.00 C ATOM 1953 CG2 VAL A 118 -0.429 -5.366 6.998 1.00 0.00 C ATOM 0 H VAL A 118 2.922 -4.697 8.940 1.00 0.00 H new ATOM 0 HA VAL A 118 1.705 -4.119 6.333 1.00 0.00 H new ATOM 0 HB VAL A 118 0.175 -4.528 8.864 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -1.647 -3.128 7.962 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.187 -2.175 8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -0.579 -2.605 6.637 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.467 -5.503 7.300 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.390 -5.114 5.938 1.00 0.00 H new ATOM 0 HG23 VAL A 118 0.124 -6.289 7.172 1.00 0.00 H new ATOM 1963 N GLY A 119 2.066 -1.724 6.782 1.00 0.00 N ATOM 1964 CA GLY A 119 2.510 -0.353 6.968 1.00 0.00 C ATOM 1965 C GLY A 119 2.252 0.482 5.711 1.00 0.00 C ATOM 1966 O GLY A 119 2.636 0.088 4.611 1.00 0.00 O ATOM 0 H GLY A 119 1.686 -1.928 5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 119 1.989 0.090 7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.574 -0.340 7.205 1.00 0.00 H new ATOM 1970 N ASN A 120 1.605 1.619 5.917 1.00 0.00 N ATOM 1971 CA ASN A 120 1.291 2.512 4.814 1.00 0.00 C ATOM 1972 C ASN A 120 2.465 3.467 4.588 1.00 0.00 C ATOM 1973 O ASN A 120 3.438 3.450 5.341 1.00 0.00 O ATOM 1974 CB ASN A 120 0.050 3.352 5.122 1.00 0.00 C ATOM 1975 CG ASN A 120 0.297 4.278 6.315 1.00 0.00 C ATOM 1976 OD1 ASN A 120 0.829 3.885 7.339 1.00 0.00 O ATOM 1977 ND2 ASN A 120 -0.119 5.527 6.125 1.00 0.00 N ATOM 0 H ASN A 120 1.289 1.943 6.831 1.00 0.00 H new ATOM 0 HA ASN A 120 1.104 1.904 3.929 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -0.219 3.944 4.247 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -0.794 2.696 5.335 1.00 0.00 H new ATOM 0 HD21 ASN A 120 0.000 6.222 6.862 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -0.557 5.790 5.242 1.00 0.00 H new ATOM 1984 N GLU A 121 2.335 4.278 3.549 1.00 0.00 N ATOM 1985 CA GLU A 121 3.372 5.238 3.214 1.00 0.00 C ATOM 1986 C GLU A 121 4.467 4.568 2.381 1.00 0.00 C ATOM 1987 O GLU A 121 4.787 3.400 2.594 1.00 0.00 O ATOM 1988 CB GLU A 121 3.957 5.876 4.476 1.00 0.00 C ATOM 1989 CG GLU A 121 3.924 7.403 4.384 1.00 0.00 C ATOM 1990 CD GLU A 121 5.336 7.987 4.457 1.00 0.00 C ATOM 1991 OE1 GLU A 121 6.240 7.362 3.860 1.00 0.00 O ATOM 1992 OE2 GLU A 121 5.480 9.045 5.107 1.00 0.00 O ATOM 0 H GLU A 121 1.526 4.290 2.927 1.00 0.00 H new ATOM 0 HA GLU A 121 2.924 6.033 2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.392 5.548 5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.984 5.539 4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.450 7.704 3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.317 7.807 5.194 1.00 0.00 H new ATOM 1999 N PRO A 122 5.026 5.358 1.425 1.00 0.00 N ATOM 2000 CA PRO A 122 6.079 4.853 0.559 1.00 0.00 C ATOM 2001 C PRO A 122 7.409 4.760 1.310 1.00 0.00 C ATOM 2002 O PRO A 122 8.151 3.793 1.148 1.00 0.00 O ATOM 2003 CB PRO A 122 6.123 5.822 -0.611 1.00 0.00 C ATOM 2004 CG PRO A 122 5.421 7.083 -0.135 1.00 0.00 C ATOM 2005 CD PRO A 122 4.673 6.746 1.144 1.00 0.00 C ATOM 0 HA PRO A 122 5.888 3.838 0.211 1.00 0.00 H new ATOM 0 HB2 PRO A 122 7.151 6.034 -0.904 1.00 0.00 H new ATOM 0 HB3 PRO A 122 5.623 5.403 -1.484 1.00 0.00 H new ATOM 0 HG2 PRO A 122 6.145 7.878 0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 122 4.731 7.446 -0.896 1.00 0.00 H new ATOM 0 HD2 PRO A 122 4.970 7.403 1.961 1.00 0.00 H new ATOM 0 HD3 PRO A 122 3.597 6.863 1.016 1.00 0.00 H new ATOM 2013 N ALA A 123 7.670 5.780 2.115 1.00 0.00 N ATOM 2014 CA ALA A 123 8.897 5.825 2.891 1.00 0.00 C ATOM 2015 C ALA A 123 8.904 4.671 3.895 1.00 0.00 C ATOM 2016 O ALA A 123 9.966 4.176 4.270 1.00 0.00 O ATOM 2017 CB ALA A 123 9.021 7.190 3.571 1.00 0.00 C ATOM 0 H ALA A 123 7.053 6.581 2.246 1.00 0.00 H new ATOM 0 HA ALA A 123 9.765 5.703 2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 123 9.942 7.224 4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.042 7.973 2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 123 8.168 7.346 4.231 1.00 0.00 H new ATOM 2023 N ASP A 124 7.707 4.276 4.302 1.00 0.00 N ATOM 2024 CA ASP A 124 7.562 3.189 5.255 1.00 0.00 C ATOM 2025 C ASP A 124 8.117 1.901 4.643 1.00 0.00 C ATOM 2026 O ASP A 124 8.745 1.102 5.334 1.00 0.00 O ATOM 2027 CB ASP A 124 6.090 2.952 5.601 1.00 0.00 C ATOM 2028 CG ASP A 124 5.824 2.544 7.051 1.00 0.00 C ATOM 2029 OD1 ASP A 124 6.477 3.138 7.937 1.00 0.00 O ATOM 2030 OD2 ASP A 124 4.974 1.648 7.241 1.00 0.00 O ATOM 0 H ASP A 124 6.828 4.689 3.989 1.00 0.00 H new ATOM 0 HA ASP A 124 8.106 3.460 6.160 1.00 0.00 H new ATOM 0 HB2 ASP A 124 5.531 3.863 5.387 1.00 0.00 H new ATOM 0 HB3 ASP A 124 5.698 2.176 4.943 1.00 0.00 H new ATOM 2035 N ILE A 125 7.864 1.741 3.352 1.00 0.00 N ATOM 2036 CA ILE A 125 8.330 0.564 2.639 1.00 0.00 C ATOM 2037 C ILE A 125 9.816 0.350 2.934 1.00 0.00 C ATOM 2038 O ILE A 125 10.206 -0.699 3.443 1.00 0.00 O ATOM 2039 CB ILE A 125 8.010 0.680 1.147 1.00 0.00 C ATOM 2040 CG1 ILE A 125 6.817 -0.201 0.772 1.00 0.00 C ATOM 2041 CG2 ILE A 125 9.242 0.368 0.296 1.00 0.00 C ATOM 2042 CD1 ILE A 125 7.164 -1.128 -0.395 1.00 0.00 C ATOM 0 H ILE A 125 7.342 2.407 2.782 1.00 0.00 H new ATOM 0 HA ILE A 125 7.804 -0.325 2.986 1.00 0.00 H new ATOM 0 HB ILE A 125 7.727 1.712 0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.514 -0.794 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.968 0.427 0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.987 0.458 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.039 1.071 0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.579 -0.648 0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.298 -1.743 -0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.443 -0.531 -1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 125 7.998 -1.771 -0.113 1.00 0.00 H new ATOM 2054 N ASP A 126 10.605 1.361 2.601 1.00 0.00 N ATOM 2055 CA ASP A 126 12.039 1.297 2.824 1.00 0.00 C ATOM 2056 C ASP A 126 12.308 0.826 4.255 1.00 0.00 C ATOM 2057 O ASP A 126 13.033 -0.144 4.467 1.00 0.00 O ATOM 2058 CB ASP A 126 12.686 2.672 2.650 1.00 0.00 C ATOM 2059 CG ASP A 126 14.059 2.829 3.305 1.00 0.00 C ATOM 2060 OD1 ASP A 126 14.579 1.799 3.787 1.00 0.00 O ATOM 2061 OD2 ASP A 126 14.559 3.975 3.310 1.00 0.00 O ATOM 0 H ASP A 126 10.278 2.230 2.178 1.00 0.00 H new ATOM 0 HA ASP A 126 12.462 0.605 2.096 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.783 2.879 1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 126 12.016 3.427 3.061 1.00 0.00 H new ATOM 2066 N LYS A 127 11.708 1.536 5.200 1.00 0.00 N ATOM 2067 CA LYS A 127 11.874 1.203 6.604 1.00 0.00 C ATOM 2068 C LYS A 127 11.588 -0.286 6.808 1.00 0.00 C ATOM 2069 O LYS A 127 12.379 -0.994 7.430 1.00 0.00 O ATOM 2070 CB LYS A 127 11.013 2.119 7.477 1.00 0.00 C ATOM 2071 CG LYS A 127 11.249 3.590 7.128 1.00 0.00 C ATOM 2072 CD LYS A 127 12.694 3.821 6.679 1.00 0.00 C ATOM 2073 CE LYS A 127 13.028 5.314 6.656 1.00 0.00 C ATOM 2074 NZ LYS A 127 13.170 5.835 8.035 1.00 0.00 N ATOM 0 H LYS A 127 11.107 2.340 5.020 1.00 0.00 H new ATOM 0 HA LYS A 127 12.903 1.376 6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 127 9.960 1.873 7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 127 11.246 1.949 8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 127 10.565 3.894 6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 127 11.030 4.213 7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 127 13.376 3.302 7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 127 12.843 3.396 5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 127 13.953 5.477 6.102 1.00 0.00 H new ATOM 0 HE3 LYS A 127 12.243 5.860 6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 13.653 6.756 8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 12.228 5.949 8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 13.729 5.166 8.603 1.00 0.00 H new ATOM 2088 N TYR A 128 10.456 -0.718 6.272 1.00 0.00 N ATOM 2089 CA TYR A 128 10.057 -2.110 6.387 1.00 0.00 C ATOM 2090 C TYR A 128 10.661 -2.949 5.259 1.00 0.00 C ATOM 2091 O TYR A 128 11.767 -3.471 5.393 1.00 0.00 O ATOM 2092 CB TYR A 128 8.533 -2.124 6.256 1.00 0.00 C ATOM 2093 CG TYR A 128 7.794 -1.784 7.552 1.00 0.00 C ATOM 2094 CD1 TYR A 128 7.607 -2.755 8.515 1.00 0.00 C ATOM 2095 CD2 TYR A 128 7.314 -0.507 7.759 1.00 0.00 C ATOM 2096 CE1 TYR A 128 6.911 -2.436 9.735 1.00 0.00 C ATOM 2097 CE2 TYR A 128 6.618 -0.187 8.978 1.00 0.00 C ATOM 2098 CZ TYR A 128 6.451 -1.167 9.906 1.00 0.00 C ATOM 2099 OH TYR A 128 5.794 -0.865 11.058 1.00 0.00 O ATOM 0 H TYR A 128 9.802 -0.128 5.757 1.00 0.00 H new ATOM 0 HA TYR A 128 10.400 -2.530 7.333 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.238 -1.413 5.484 1.00 0.00 H new ATOM 0 HB3 TYR A 128 8.217 -3.111 5.918 1.00 0.00 H new ATOM 0 HD1 TYR A 128 7.983 -3.755 8.354 1.00 0.00 H new ATOM 0 HD2 TYR A 128 7.461 0.253 7.006 1.00 0.00 H new ATOM 0 HE1 TYR A 128 6.758 -3.187 10.496 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.237 0.809 9.152 1.00 0.00 H new ATOM 0 HH TYR A 128 5.524 0.077 11.043 1.00 0.00 H new ATOM 2109 N ILE A 129 9.909 -3.053 4.174 1.00 0.00 N ATOM 2110 CA ILE A 129 10.356 -3.819 3.023 1.00 0.00 C ATOM 2111 C ILE A 129 10.660 -2.865 1.867 1.00 0.00 C ATOM 2112 O ILE A 129 9.753 -2.442 1.152 1.00 0.00 O ATOM 2113 CB ILE A 129 9.337 -4.905 2.673 1.00 0.00 C ATOM 2114 CG1 ILE A 129 7.907 -4.401 2.878 1.00 0.00 C ATOM 2115 CG2 ILE A 129 9.610 -6.188 3.461 1.00 0.00 C ATOM 2116 CD1 ILE A 129 7.448 -4.621 4.320 1.00 0.00 C ATOM 0 H ILE A 129 8.992 -2.619 4.067 1.00 0.00 H new ATOM 0 HA ILE A 129 11.282 -4.346 3.253 1.00 0.00 H new ATOM 0 HB ILE A 129 9.446 -5.147 1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 129 7.853 -3.340 2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 129 7.234 -4.920 2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.871 -6.944 3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 129 10.608 -6.556 3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 129 9.545 -5.980 4.529 1.00 0.00 H new ATOM 0 HD11 ILE A 129 6.428 -4.254 4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 129 7.479 -5.685 4.553 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.109 -4.081 4.998 1.00 0.00 H new ATOM 2128 N ILE A 130 11.939 -2.554 1.719 1.00 0.00 N ATOM 2129 CA ILE A 130 12.374 -1.657 0.661 1.00 0.00 C ATOM 2130 C ILE A 130 12.341 -2.400 -0.677 1.00 0.00 C ATOM 2131 O ILE A 130 11.805 -3.503 -0.765 1.00 0.00 O ATOM 2132 CB ILE A 130 13.739 -1.055 0.997 1.00 0.00 C ATOM 2133 CG1 ILE A 130 14.860 -1.790 0.258 1.00 0.00 C ATOM 2134 CG2 ILE A 130 13.971 -1.029 2.509 1.00 0.00 C ATOM 2135 CD1 ILE A 130 14.921 -3.260 0.679 1.00 0.00 C ATOM 0 H ILE A 130 12.689 -2.907 2.314 1.00 0.00 H new ATOM 0 HA ILE A 130 11.692 -0.811 0.573 1.00 0.00 H new ATOM 0 HB ILE A 130 13.749 -0.021 0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 130 14.697 -1.722 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 130 15.815 -1.308 0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 130 14.949 -0.596 2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 130 13.197 -0.427 2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 130 13.932 -2.045 2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 130 15.726 -3.760 0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 130 15.108 -3.324 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 130 13.973 -3.745 0.447 1.00 0.00 H new ATOM 2147 N GLN A 131 12.922 -1.765 -1.684 1.00 0.00 N ATOM 2148 CA GLN A 131 12.967 -2.351 -3.012 1.00 0.00 C ATOM 2149 C GLN A 131 13.445 -3.803 -2.936 1.00 0.00 C ATOM 2150 O GLN A 131 12.806 -4.700 -3.485 1.00 0.00 O ATOM 2151 CB GLN A 131 13.858 -1.529 -3.945 1.00 0.00 C ATOM 2152 CG GLN A 131 14.901 -0.739 -3.152 1.00 0.00 C ATOM 2153 CD GLN A 131 14.492 0.729 -3.018 1.00 0.00 C ATOM 2154 OE1 GLN A 131 14.271 1.430 -3.992 1.00 0.00 O ATOM 2155 NE2 GLN A 131 14.404 1.154 -1.761 1.00 0.00 N ATOM 0 H GLN A 131 13.366 -0.850 -1.607 1.00 0.00 H new ATOM 0 HA GLN A 131 11.959 -2.342 -3.426 1.00 0.00 H new ATOM 0 HB2 GLN A 131 14.358 -2.191 -4.652 1.00 0.00 H new ATOM 0 HB3 GLN A 131 13.244 -0.843 -4.529 1.00 0.00 H new ATOM 0 HG2 GLN A 131 15.020 -1.179 -2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 131 15.869 -0.807 -3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 131 14.603 0.515 -0.991 1.00 0.00 H new ATOM 0 HE22 GLN A 131 14.138 2.119 -1.566 1.00 0.00 H new ATOM 2164 N ARG A 132 14.563 -3.989 -2.251 1.00 0.00 N ATOM 2165 CA ARG A 132 15.134 -5.316 -2.096 1.00 0.00 C ATOM 2166 C ARG A 132 14.046 -6.320 -1.711 1.00 0.00 C ATOM 2167 O ARG A 132 14.207 -7.523 -1.911 1.00 0.00 O ATOM 2168 CB ARG A 132 16.228 -5.324 -1.026 1.00 0.00 C ATOM 2169 CG ARG A 132 15.765 -6.073 0.225 1.00 0.00 C ATOM 2170 CD ARG A 132 16.955 -6.676 0.974 1.00 0.00 C ATOM 2171 NE ARG A 132 18.026 -5.664 1.121 1.00 0.00 N ATOM 2172 CZ ARG A 132 19.074 -5.794 1.945 1.00 0.00 C ATOM 2173 NH1 ARG A 132 19.199 -6.892 2.703 1.00 0.00 N ATOM 2174 NH2 ARG A 132 19.998 -4.825 2.012 1.00 0.00 N ATOM 0 H ARG A 132 15.089 -3.243 -1.797 1.00 0.00 H new ATOM 0 HA ARG A 132 15.575 -5.601 -3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 132 17.127 -5.794 -1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 132 16.493 -4.300 -0.764 1.00 0.00 H new ATOM 0 HG2 ARG A 132 15.224 -5.392 0.882 1.00 0.00 H new ATOM 0 HG3 ARG A 132 15.069 -6.863 -0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 132 16.637 -7.027 1.956 1.00 0.00 H new ATOM 0 HD3 ARG A 132 17.334 -7.543 0.433 1.00 0.00 H new ATOM 0 HE ARG A 132 17.962 -4.815 0.560 1.00 0.00 H new ATOM 0 HH11 ARG A 132 18.496 -7.629 2.653 1.00 0.00 H new ATOM 0 HH12 ARG A 132 19.997 -6.991 3.330 1.00 0.00 H new ATOM 0 HH21 ARG A 132 19.903 -3.989 1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 132 20.796 -4.924 2.639 1.00 0.00 H new ATOM 2188 N LYS A 133 12.962 -5.789 -1.164 1.00 0.00 N ATOM 2189 CA LYS A 133 11.848 -6.623 -0.749 1.00 0.00 C ATOM 2190 C LYS A 133 11.398 -7.490 -1.927 1.00 0.00 C ATOM 2191 O LYS A 133 10.456 -8.271 -1.803 1.00 0.00 O ATOM 2192 CB LYS A 133 10.729 -5.766 -0.153 1.00 0.00 C ATOM 2193 CG LYS A 133 9.780 -5.268 -1.245 1.00 0.00 C ATOM 2194 CD LYS A 133 9.081 -3.976 -0.817 1.00 0.00 C ATOM 2195 CE LYS A 133 7.986 -3.589 -1.814 1.00 0.00 C ATOM 2196 NZ LYS A 133 6.659 -4.012 -1.315 1.00 0.00 N ATOM 0 H LYS A 133 12.832 -4.791 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 133 12.156 -7.301 0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 133 10.171 -6.348 0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 133 11.159 -4.915 0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 133 10.338 -5.096 -2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 133 9.035 -6.034 -1.462 1.00 0.00 H new ATOM 0 HD2 LYS A 133 8.646 -4.105 0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 133 9.811 -3.170 -0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 133 7.995 -2.511 -1.973 1.00 0.00 H new ATOM 0 HE3 LYS A 133 8.184 -4.055 -2.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 5.922 -3.412 -1.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 6.490 -5.004 -1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 6.631 -3.918 -0.280 1.00 0.00 H new TER 2210 LYS A 133