USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 947 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 120 THR OG1 : rot 180:sc= -0.409 USER MOD Set 1.2: A 122 SER OG : rot 180:sc= 0.11 USER MOD Set 1.3: A 123 GLN : amide:sc= -4.18! C(o=-4.5!,f=-12!) USER MOD Set 2.1: A 98 GLN : amide:sc= 0.682 K(o=0.7,f=-0.39) USER MOD Set 2.2: A 100 ASN : amide:sc= 0.0187 K(o=0.7,f=-0.055) USER MOD Set 3.1: A 96 THR OG1 : rot -132:sc= 1.59 USER MOD Set 3.2: A 101 THR OG1 : rot 61:sc= 0.501 USER MOD Single : A 20 HIS : no HD1:sc= -0.0038 X(o=-0.0038,f=0) USER MOD Single : A 21 MET CE :methyl 162:sc= 0 (180deg=-0.492) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0994 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.224 K(o=-0.22,f=-1) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.293 X(o=-0.29,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.723 K(o=0.72,f=-1.8) USER MOD Single : A 48 ASN : amide:sc= 0.0748 X(o=0.075,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.445 X(o=-0.45,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 152:sc= -0.0167 USER MOD Single : A 69 SER OG : rot 157:sc= 0.706 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0.705 K(o=0.71,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -135:sc= 0.663 (180deg=-0.946) USER MOD Single : A 89 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.14) USER MOD Single : A 90 THR OG1 : rot 71:sc= 1.08 USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.18) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -164:sc= 0.339 (180deg=0.244) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.0077 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.2 K(o=-0.2,f=-3.7!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 47:sc= 0.475 USER MOD Single : A 119 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.0061) USER MOD Single : A 124 LYS NZ :NH3+ -168:sc= -0.0041 (180deg=-0.114) USER MOD Single : A 130 TYR OH : rot 130:sc= -0.551 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -20.224 -10.832 6.622 1.00 0.00 N ATOM 2 CA GLY A 19 -19.603 -11.750 5.666 1.00 0.00 C ATOM 3 C GLY A 19 -18.096 -11.688 5.803 1.00 0.00 C ATOM 4 O GLY A 19 -17.518 -10.599 5.810 1.00 0.00 O ATOM 0 HA2 GLY A 19 -19.952 -12.767 5.844 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -19.897 -11.486 4.650 1.00 0.00 H new ATOM 8 N HIS A 20 -17.424 -12.837 5.896 1.00 0.00 N ATOM 9 CA HIS A 20 -16.007 -12.879 5.570 1.00 0.00 C ATOM 10 C HIS A 20 -15.885 -12.590 4.079 1.00 0.00 C ATOM 11 O HIS A 20 -16.681 -13.085 3.272 1.00 0.00 O ATOM 12 CB HIS A 20 -15.377 -14.214 5.964 1.00 0.00 C ATOM 13 CG HIS A 20 -15.073 -14.251 7.439 1.00 0.00 C ATOM 14 ND1 HIS A 20 -15.857 -14.795 8.431 1.00 0.00 N ATOM 15 CD2 HIS A 20 -13.999 -13.652 8.039 1.00 0.00 C ATOM 16 CE1 HIS A 20 -15.254 -14.546 9.605 1.00 0.00 C ATOM 17 NE2 HIS A 20 -14.123 -13.839 9.420 1.00 0.00 N ATOM 0 H HIS A 20 -17.829 -13.727 6.187 1.00 0.00 H new ATOM 0 HA HIS A 20 -15.456 -12.129 6.138 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -16.053 -15.029 5.708 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -14.460 -14.370 5.396 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -13.199 -13.129 7.537 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -15.626 -14.869 10.566 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -13.484 -13.506 10.142 1.00 0.00 H new ATOM 25 N MET A 21 -14.932 -11.741 3.716 1.00 0.00 N ATOM 26 CA MET A 21 -14.889 -11.068 2.431 1.00 0.00 C ATOM 27 C MET A 21 -13.447 -11.178 1.963 1.00 0.00 C ATOM 28 O MET A 21 -12.575 -10.495 2.505 1.00 0.00 O ATOM 29 CB MET A 21 -15.381 -9.615 2.606 1.00 0.00 C ATOM 30 CG MET A 21 -16.384 -9.155 1.545 1.00 0.00 C ATOM 31 SD MET A 21 -15.705 -8.843 -0.104 1.00 0.00 S ATOM 32 CE MET A 21 -15.968 -10.433 -0.935 1.00 0.00 C ATOM 0 H MET A 21 -14.150 -11.498 4.324 1.00 0.00 H new ATOM 0 HA MET A 21 -15.543 -11.509 1.679 1.00 0.00 H new ATOM 0 HB2 MET A 21 -15.840 -9.516 3.590 1.00 0.00 H new ATOM 0 HB3 MET A 21 -14.519 -8.948 2.587 1.00 0.00 H new ATOM 0 HG2 MET A 21 -17.164 -9.911 1.458 1.00 0.00 H new ATOM 0 HG3 MET A 21 -16.863 -8.242 1.898 1.00 0.00 H new ATOM 0 HE1 MET A 21 -15.900 -10.295 -2.014 1.00 0.00 H new ATOM 0 HE2 MET A 21 -15.207 -11.143 -0.611 1.00 0.00 H new ATOM 0 HE3 MET A 21 -16.955 -10.818 -0.680 1.00 0.00 H new ATOM 42 N LYS A 22 -13.191 -12.107 1.040 1.00 0.00 N ATOM 43 CA LYS A 22 -11.867 -12.349 0.481 1.00 0.00 C ATOM 44 C LYS A 22 -11.367 -11.059 -0.157 1.00 0.00 C ATOM 45 O LYS A 22 -12.047 -10.510 -1.027 1.00 0.00 O ATOM 46 CB LYS A 22 -11.952 -13.481 -0.552 1.00 0.00 C ATOM 47 CG LYS A 22 -12.107 -14.869 0.100 1.00 0.00 C ATOM 48 CD LYS A 22 -10.765 -15.603 0.118 1.00 0.00 C ATOM 49 CE LYS A 22 -10.883 -17.007 0.711 1.00 0.00 C ATOM 50 NZ LYS A 22 -9.707 -17.825 0.364 1.00 0.00 N ATOM 0 H LYS A 22 -13.911 -12.720 0.657 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.168 -12.652 1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.797 -13.299 -1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.054 -13.472 -1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.483 -14.760 1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.842 -15.456 -0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.376 -15.671 -0.898 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.044 -15.025 0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.978 -16.941 1.795 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.788 -17.488 0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.810 -18.774 0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.632 -17.904 -0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.848 -17.375 0.740 1.00 0.00 H new ATOM 64 N PHE A 23 -10.223 -10.563 0.307 1.00 0.00 N ATOM 65 CA PHE A 23 -9.527 -9.410 -0.255 1.00 0.00 C ATOM 66 C PHE A 23 -8.216 -9.912 -0.881 1.00 0.00 C ATOM 67 O PHE A 23 -7.840 -11.073 -0.686 1.00 0.00 O ATOM 68 CB PHE A 23 -9.263 -8.362 0.840 1.00 0.00 C ATOM 69 CG PHE A 23 -10.380 -7.370 1.119 1.00 0.00 C ATOM 70 CD1 PHE A 23 -11.734 -7.733 1.019 1.00 0.00 C ATOM 71 CD2 PHE A 23 -10.057 -6.039 1.438 1.00 0.00 C ATOM 72 CE1 PHE A 23 -12.742 -6.789 1.240 1.00 0.00 C ATOM 73 CE2 PHE A 23 -11.068 -5.098 1.691 1.00 0.00 C ATOM 74 CZ PHE A 23 -12.413 -5.470 1.582 1.00 0.00 C ATOM 0 H PHE A 23 -9.740 -10.966 1.110 1.00 0.00 H new ATOM 0 HA PHE A 23 -10.135 -8.927 -1.020 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.036 -8.888 1.767 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.370 -7.801 0.565 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.998 -8.750 0.769 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.021 -5.738 1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.779 -7.078 1.147 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.808 -4.087 1.970 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.193 -4.745 1.760 1.00 0.00 H new ATOM 84 N THR A 24 -7.490 -9.060 -1.595 1.00 0.00 N ATOM 85 CA THR A 24 -6.227 -9.393 -2.244 1.00 0.00 C ATOM 86 C THR A 24 -5.170 -8.362 -1.890 1.00 0.00 C ATOM 87 O THR A 24 -5.505 -7.195 -1.702 1.00 0.00 O ATOM 88 CB THR A 24 -6.447 -9.458 -3.766 1.00 0.00 C ATOM 89 OG1 THR A 24 -7.516 -8.652 -4.206 1.00 0.00 O ATOM 90 CG2 THR A 24 -6.762 -10.891 -4.150 1.00 0.00 C ATOM 0 H THR A 24 -7.771 -8.091 -1.743 1.00 0.00 H new ATOM 0 HA THR A 24 -5.876 -10.364 -1.895 1.00 0.00 H new ATOM 0 HB THR A 24 -5.534 -9.091 -4.235 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.607 -8.732 -5.178 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.921 -10.953 -5.227 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.929 -11.535 -3.868 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.664 -11.217 -3.631 1.00 0.00 H new ATOM 98 N ASP A 25 -3.892 -8.759 -1.903 1.00 0.00 N ATOM 99 CA ASP A 25 -2.742 -7.866 -1.715 1.00 0.00 C ATOM 100 C ASP A 25 -2.877 -6.639 -2.609 1.00 0.00 C ATOM 101 O ASP A 25 -2.648 -5.515 -2.181 1.00 0.00 O ATOM 102 CB ASP A 25 -1.438 -8.576 -2.097 1.00 0.00 C ATOM 103 CG ASP A 25 -1.053 -9.709 -1.162 1.00 0.00 C ATOM 104 OD1 ASP A 25 -1.490 -10.852 -1.431 1.00 0.00 O ATOM 105 OD2 ASP A 25 -0.278 -9.461 -0.206 1.00 0.00 O ATOM 0 H ASP A 25 -3.622 -9.732 -2.048 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.719 -7.576 -0.665 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.534 -8.971 -3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.630 -7.844 -2.116 1.00 0.00 H new ATOM 110 N GLN A 26 -3.321 -6.876 -3.843 1.00 0.00 N ATOM 111 CA GLN A 26 -3.641 -5.898 -4.869 1.00 0.00 C ATOM 112 C GLN A 26 -4.575 -4.811 -4.305 1.00 0.00 C ATOM 113 O GLN A 26 -4.228 -3.634 -4.227 1.00 0.00 O ATOM 114 CB GLN A 26 -4.318 -6.645 -6.039 1.00 0.00 C ATOM 115 CG GLN A 26 -3.604 -7.883 -6.611 1.00 0.00 C ATOM 116 CD GLN A 26 -4.619 -8.823 -7.263 1.00 0.00 C ATOM 117 OE1 GLN A 26 -4.760 -9.980 -6.869 1.00 0.00 O ATOM 118 NE2 GLN A 26 -5.373 -8.341 -8.238 1.00 0.00 N ATOM 0 H GLN A 26 -3.476 -7.829 -4.171 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.734 -5.402 -5.215 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.310 -6.953 -5.710 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.459 -5.934 -6.853 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.859 -7.576 -7.344 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.072 -8.405 -5.816 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.245 -7.380 -8.554 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.082 -8.931 -8.673 1.00 0.00 H new ATOM 127 N GLN A 27 -5.775 -5.236 -3.909 1.00 0.00 N ATOM 128 CA GLN A 27 -6.897 -4.412 -3.491 1.00 0.00 C ATOM 129 C GLN A 27 -6.629 -3.751 -2.137 1.00 0.00 C ATOM 130 O GLN A 27 -7.098 -2.644 -1.867 1.00 0.00 O ATOM 131 CB GLN A 27 -8.122 -5.339 -3.417 1.00 0.00 C ATOM 132 CG GLN A 27 -8.573 -5.890 -4.785 1.00 0.00 C ATOM 133 CD GLN A 27 -9.373 -4.905 -5.628 1.00 0.00 C ATOM 134 OE1 GLN A 27 -10.036 -4.011 -5.105 1.00 0.00 O ATOM 135 NE2 GLN A 27 -9.362 -5.059 -6.940 1.00 0.00 N ATOM 0 H GLN A 27 -5.998 -6.231 -3.871 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.063 -3.601 -4.200 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.893 -6.176 -2.757 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.951 -4.794 -2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.692 -6.198 -5.347 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.176 -6.783 -4.622 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.808 -5.805 -7.361 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.908 -4.432 -7.532 1.00 0.00 H new ATOM 144 N ILE A 28 -5.892 -4.431 -1.264 1.00 0.00 N ATOM 145 CA ILE A 28 -5.452 -3.917 0.022 1.00 0.00 C ATOM 146 C ILE A 28 -4.367 -2.867 -0.212 1.00 0.00 C ATOM 147 O ILE A 28 -4.284 -1.909 0.554 1.00 0.00 O ATOM 148 CB ILE A 28 -4.941 -5.101 0.871 1.00 0.00 C ATOM 149 CG1 ILE A 28 -6.125 -6.027 1.228 1.00 0.00 C ATOM 150 CG2 ILE A 28 -4.241 -4.606 2.148 1.00 0.00 C ATOM 151 CD1 ILE A 28 -5.688 -7.395 1.754 1.00 0.00 C ATOM 0 H ILE A 28 -5.576 -5.385 -1.441 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.269 -3.438 0.562 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.209 -5.659 0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.745 -5.538 1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.746 -6.167 0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.892 -5.461 2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.391 -3.979 1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.944 -4.026 2.747 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.569 -7.994 1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.092 -7.903 0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.091 -7.264 2.657 1.00 0.00 H new ATOM 163 N GLY A 29 -3.538 -3.042 -1.243 1.00 0.00 N ATOM 164 CA GLY A 29 -2.396 -2.205 -1.546 1.00 0.00 C ATOM 165 C GLY A 29 -2.798 -0.742 -1.629 1.00 0.00 C ATOM 166 O GLY A 29 -2.140 0.109 -1.029 1.00 0.00 O ATOM 0 H GLY A 29 -3.656 -3.804 -1.911 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.633 -2.333 -0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.952 -2.518 -2.491 1.00 0.00 H new ATOM 170 N VAL A 30 -3.888 -0.463 -2.344 1.00 0.00 N ATOM 171 CA VAL A 30 -4.396 0.886 -2.530 1.00 0.00 C ATOM 172 C VAL A 30 -4.920 1.422 -1.194 1.00 0.00 C ATOM 173 O VAL A 30 -4.575 2.537 -0.817 1.00 0.00 O ATOM 174 CB VAL A 30 -5.442 0.890 -3.665 1.00 0.00 C ATOM 175 CG1 VAL A 30 -6.026 2.285 -3.913 1.00 0.00 C ATOM 176 CG2 VAL A 30 -4.805 0.422 -4.987 1.00 0.00 C ATOM 0 H VAL A 30 -4.445 -1.178 -2.813 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.604 1.566 -2.843 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.236 0.215 -3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.757 2.235 -4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.512 2.643 -3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.225 2.971 -4.190 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.557 0.431 -5.776 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.989 1.093 -5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.418 -0.590 -4.866 1.00 0.00 H new ATOM 186 N LEU A 31 -5.710 0.638 -0.454 1.00 0.00 N ATOM 187 CA LEU A 31 -6.278 1.045 0.834 1.00 0.00 C ATOM 188 C LEU A 31 -5.186 1.410 1.837 1.00 0.00 C ATOM 189 O LEU A 31 -5.250 2.470 2.452 1.00 0.00 O ATOM 190 CB LEU A 31 -7.170 -0.082 1.393 1.00 0.00 C ATOM 191 CG LEU A 31 -8.682 0.159 1.250 1.00 0.00 C ATOM 192 CD1 LEU A 31 -9.103 0.590 -0.157 1.00 0.00 C ATOM 193 CD2 LEU A 31 -9.453 -1.118 1.592 1.00 0.00 C ATOM 0 H LEU A 31 -5.975 -0.306 -0.735 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.885 1.936 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.915 -1.013 0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.937 -0.220 2.449 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.916 0.970 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.182 0.742 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.599 1.520 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.828 -0.185 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.523 -0.936 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.153 -1.917 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.233 -1.412 2.618 1.00 0.00 H new ATOM 205 N ALA A 32 -4.209 0.526 2.033 1.00 0.00 N ATOM 206 CA ALA A 32 -3.116 0.759 2.964 1.00 0.00 C ATOM 207 C ALA A 32 -2.251 1.943 2.518 1.00 0.00 C ATOM 208 O ALA A 32 -1.830 2.722 3.371 1.00 0.00 O ATOM 209 CB ALA A 32 -2.308 -0.531 3.138 1.00 0.00 C ATOM 0 H ALA A 32 -4.157 -0.370 1.549 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.522 1.033 3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.489 -0.356 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.956 -1.316 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.904 -0.840 2.174 1.00 0.00 H new ATOM 215 N GLY A 33 -2.025 2.119 1.214 1.00 0.00 N ATOM 216 CA GLY A 33 -1.285 3.266 0.708 1.00 0.00 C ATOM 217 C GLY A 33 -2.070 4.568 0.867 1.00 0.00 C ATOM 218 O GLY A 33 -1.479 5.623 1.063 1.00 0.00 O ATOM 0 H GLY A 33 -2.347 1.476 0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.336 3.348 1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.050 3.110 -0.345 1.00 0.00 H new ATOM 222 N LEU A 34 -3.404 4.534 0.858 1.00 0.00 N ATOM 223 CA LEU A 34 -4.201 5.734 1.084 1.00 0.00 C ATOM 224 C LEU A 34 -4.029 6.292 2.500 1.00 0.00 C ATOM 225 O LEU A 34 -4.211 7.490 2.715 1.00 0.00 O ATOM 226 CB LEU A 34 -5.678 5.458 0.773 1.00 0.00 C ATOM 227 CG LEU A 34 -6.139 6.195 -0.489 1.00 0.00 C ATOM 228 CD1 LEU A 34 -5.411 5.758 -1.768 1.00 0.00 C ATOM 229 CD2 LEU A 34 -7.638 5.971 -0.666 1.00 0.00 C ATOM 0 H LEU A 34 -3.951 3.689 0.697 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.836 6.502 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.829 4.386 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.292 5.766 1.619 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.900 7.248 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.794 6.325 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.342 5.943 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.579 4.694 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.980 6.490 -1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.837 4.904 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.169 6.358 0.204 1.00 0.00 H new ATOM 241 N ALA A 35 -3.656 5.448 3.462 1.00 0.00 N ATOM 242 CA ALA A 35 -3.296 5.898 4.799 1.00 0.00 C ATOM 243 C ALA A 35 -1.871 6.477 4.865 1.00 0.00 C ATOM 244 O ALA A 35 -1.574 7.220 5.804 1.00 0.00 O ATOM 245 CB ALA A 35 -3.447 4.736 5.788 1.00 0.00 C ATOM 0 H ALA A 35 -3.596 4.438 3.334 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.975 6.707 5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.177 5.073 6.789 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.481 4.390 5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.790 3.918 5.491 1.00 0.00 H new ATOM 251 N ILE A 36 -0.978 6.126 3.932 1.00 0.00 N ATOM 252 CA ILE A 36 0.442 6.463 3.948 1.00 0.00 C ATOM 253 C ILE A 36 0.780 7.053 2.569 1.00 0.00 C ATOM 254 O ILE A 36 1.173 6.336 1.655 1.00 0.00 O ATOM 255 CB ILE A 36 1.314 5.231 4.325 1.00 0.00 C ATOM 256 CG1 ILE A 36 1.195 4.782 5.804 1.00 0.00 C ATOM 257 CG2 ILE A 36 2.825 5.511 4.135 1.00 0.00 C ATOM 258 CD1 ILE A 36 -0.070 4.052 6.224 1.00 0.00 C ATOM 0 H ILE A 36 -1.240 5.577 3.113 1.00 0.00 H new ATOM 0 HA ILE A 36 0.665 7.202 4.718 1.00 0.00 H new ATOM 0 HB ILE A 36 0.931 4.458 3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.044 4.136 6.027 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.295 5.667 6.432 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.397 4.625 4.410 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.021 5.760 3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.123 6.346 4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.011 3.801 7.283 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.934 4.693 6.051 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.173 3.138 5.640 1.00 0.00 H new ATOM 270 N SER A 37 0.692 8.376 2.441 1.00 0.00 N ATOM 271 CA SER A 37 0.966 9.110 1.209 1.00 0.00 C ATOM 272 C SER A 37 -0.052 8.760 0.100 1.00 0.00 C ATOM 273 O SER A 37 0.322 8.294 -0.981 1.00 0.00 O ATOM 274 CB SER A 37 2.449 8.944 0.818 1.00 0.00 C ATOM 275 OG SER A 37 2.978 10.161 0.322 1.00 0.00 O ATOM 0 H SER A 37 0.420 8.983 3.214 1.00 0.00 H new ATOM 0 HA SER A 37 0.819 10.178 1.371 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.024 8.619 1.685 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.545 8.165 0.061 1.00 0.00 H new ATOM 0 HG SER A 37 3.920 10.035 0.082 1.00 0.00 H new ATOM 281 N PRO A 38 -1.349 9.080 0.308 1.00 0.00 N ATOM 282 CA PRO A 38 -2.378 8.895 -0.712 1.00 0.00 C ATOM 283 C PRO A 38 -2.054 9.694 -1.974 1.00 0.00 C ATOM 284 O PRO A 38 -2.356 9.259 -3.080 1.00 0.00 O ATOM 285 CB PRO A 38 -3.690 9.393 -0.094 1.00 0.00 C ATOM 286 CG PRO A 38 -3.246 10.322 1.028 1.00 0.00 C ATOM 287 CD PRO A 38 -1.922 9.718 1.486 1.00 0.00 C ATOM 0 HA PRO A 38 -2.443 7.848 -1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.301 9.918 -0.828 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.290 8.566 0.287 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.120 11.346 0.675 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.975 10.351 1.837 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.256 10.487 1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.078 8.994 2.286 1.00 0.00 H new ATOM 295 N GLU A 39 -1.460 10.878 -1.815 1.00 0.00 N ATOM 296 CA GLU A 39 -1.180 11.771 -2.927 1.00 0.00 C ATOM 297 C GLU A 39 -0.096 11.193 -3.831 1.00 0.00 C ATOM 298 O GLU A 39 -0.347 11.077 -5.027 1.00 0.00 O ATOM 299 CB GLU A 39 -0.864 13.182 -2.422 1.00 0.00 C ATOM 300 CG GLU A 39 -2.092 13.720 -1.676 1.00 0.00 C ATOM 301 CD GLU A 39 -2.088 15.221 -1.401 1.00 0.00 C ATOM 302 OE1 GLU A 39 -1.022 15.885 -1.389 1.00 0.00 O ATOM 303 OE2 GLU A 39 -3.201 15.732 -1.141 1.00 0.00 O ATOM 0 H GLU A 39 -1.162 11.240 -0.909 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.073 11.860 -3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.002 13.162 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.612 13.835 -3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.983 13.477 -2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.177 13.194 -0.725 1.00 0.00 H new ATOM 310 N TRP A 40 1.041 10.753 -3.276 1.00 0.00 N ATOM 311 CA TRP A 40 2.079 10.053 -4.029 1.00 0.00 C ATOM 312 C TRP A 40 1.464 8.883 -4.792 1.00 0.00 C ATOM 313 O TRP A 40 1.662 8.760 -6.002 1.00 0.00 O ATOM 314 CB TRP A 40 3.180 9.564 -3.076 1.00 0.00 C ATOM 315 CG TRP A 40 4.158 8.594 -3.673 1.00 0.00 C ATOM 316 CD1 TRP A 40 5.211 8.920 -4.451 1.00 0.00 C ATOM 317 CD2 TRP A 40 4.156 7.134 -3.606 1.00 0.00 C ATOM 318 NE1 TRP A 40 5.892 7.781 -4.831 1.00 0.00 N ATOM 319 CE2 TRP A 40 5.297 6.643 -4.314 1.00 0.00 C ATOM 320 CE3 TRP A 40 3.293 6.178 -3.026 1.00 0.00 C ATOM 321 CZ2 TRP A 40 5.597 5.270 -4.379 1.00 0.00 C ATOM 322 CZ3 TRP A 40 3.563 4.801 -3.125 1.00 0.00 C ATOM 323 CH2 TRP A 40 4.723 4.345 -3.777 1.00 0.00 C ATOM 0 H TRP A 40 1.263 10.875 -2.288 1.00 0.00 H new ATOM 0 HA TRP A 40 2.528 10.738 -4.748 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.730 10.430 -2.708 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.709 9.095 -2.212 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.482 9.926 -4.735 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.727 7.778 -5.417 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.411 6.510 -2.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.488 4.929 -4.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 2.874 4.088 -2.697 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.943 3.288 -3.816 1.00 0.00 H new ATOM 334 N LEU A 41 0.692 8.039 -4.098 1.00 0.00 N ATOM 335 CA LEU A 41 0.037 6.885 -4.698 1.00 0.00 C ATOM 336 C LEU A 41 -0.782 7.341 -5.904 1.00 0.00 C ATOM 337 O LEU A 41 -0.525 6.912 -7.029 1.00 0.00 O ATOM 338 CB LEU A 41 -0.782 6.146 -3.623 1.00 0.00 C ATOM 339 CG LEU A 41 -1.519 4.890 -4.137 1.00 0.00 C ATOM 340 CD1 LEU A 41 -1.753 3.933 -2.964 1.00 0.00 C ATOM 341 CD2 LEU A 41 -2.883 5.163 -4.788 1.00 0.00 C ATOM 0 H LEU A 41 0.507 8.143 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 41 0.764 6.166 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.115 5.855 -2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.514 6.836 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.874 4.471 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.273 3.043 -3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.794 3.645 -2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.358 4.429 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.324 4.222 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.543 5.639 -4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.751 5.822 -5.646 1.00 0.00 H new ATOM 353 N LYS A 42 -1.743 8.239 -5.692 1.00 0.00 N ATOM 354 CA LYS A 42 -2.657 8.672 -6.741 1.00 0.00 C ATOM 355 C LYS A 42 -1.933 9.376 -7.890 1.00 0.00 C ATOM 356 O LYS A 42 -2.374 9.222 -9.027 1.00 0.00 O ATOM 357 CB LYS A 42 -3.753 9.560 -6.141 1.00 0.00 C ATOM 358 CG LYS A 42 -4.759 8.760 -5.289 1.00 0.00 C ATOM 359 CD LYS A 42 -5.849 9.662 -4.689 1.00 0.00 C ATOM 360 CE LYS A 42 -6.843 10.088 -5.780 1.00 0.00 C ATOM 361 NZ LYS A 42 -7.221 11.514 -5.739 1.00 0.00 N ATOM 0 H LYS A 42 -1.907 8.684 -4.789 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.118 7.784 -7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.293 10.333 -5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.286 10.068 -6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.224 7.990 -5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.228 8.249 -4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.374 9.131 -3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.394 10.543 -4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.409 9.868 -6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.745 9.483 -5.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.893 11.717 -6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.666 11.729 -4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.371 12.102 -5.858 1.00 0.00 H new ATOM 375 N GLN A 43 -0.835 10.107 -7.649 1.00 0.00 N ATOM 376 CA GLN A 43 -0.081 10.725 -8.739 1.00 0.00 C ATOM 377 C GLN A 43 0.493 9.627 -9.625 1.00 0.00 C ATOM 378 O GLN A 43 0.313 9.658 -10.839 1.00 0.00 O ATOM 379 CB GLN A 43 1.042 11.641 -8.222 1.00 0.00 C ATOM 380 CG GLN A 43 0.513 12.981 -7.683 1.00 0.00 C ATOM 381 CD GLN A 43 1.575 14.069 -7.511 1.00 0.00 C ATOM 382 OE1 GLN A 43 1.223 15.237 -7.361 1.00 0.00 O ATOM 383 NE2 GLN A 43 2.863 13.755 -7.494 1.00 0.00 N ATOM 0 H GLN A 43 -0.456 10.281 -6.718 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.760 11.355 -9.313 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.590 11.127 -7.432 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.750 11.832 -9.029 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.258 13.350 -8.360 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.034 12.805 -6.720 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.153 12.785 -7.619 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.564 14.483 -7.356 1.00 0.00 H new ATOM 392 N ASN A 44 1.130 8.627 -9.018 1.00 0.00 N ATOM 393 CA ASN A 44 1.764 7.561 -9.774 1.00 0.00 C ATOM 394 C ASN A 44 0.745 6.716 -10.528 1.00 0.00 C ATOM 395 O ASN A 44 1.066 6.249 -11.621 1.00 0.00 O ATOM 396 CB ASN A 44 2.580 6.661 -8.860 1.00 0.00 C ATOM 397 CG ASN A 44 3.904 7.281 -8.495 1.00 0.00 C ATOM 398 OD1 ASN A 44 4.868 7.136 -9.233 1.00 0.00 O ATOM 399 ND2 ASN A 44 3.968 7.946 -7.360 1.00 0.00 N ATOM 0 H ASN A 44 1.218 8.537 -8.006 1.00 0.00 H new ATOM 0 HA ASN A 44 2.422 8.039 -10.500 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.013 6.456 -7.952 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.751 5.704 -9.352 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.849 8.366 -7.064 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.137 8.041 -6.777 1.00 0.00 H new ATOM 406 N ILE A 45 -0.460 6.498 -9.985 1.00 0.00 N ATOM 407 CA ILE A 45 -1.548 5.883 -10.736 1.00 0.00 C ATOM 408 C ILE A 45 -1.904 6.770 -11.933 1.00 0.00 C ATOM 409 O ILE A 45 -1.947 6.276 -13.058 1.00 0.00 O ATOM 410 CB ILE A 45 -2.770 5.622 -9.832 1.00 0.00 C ATOM 411 CG1 ILE A 45 -2.503 4.636 -8.677 1.00 0.00 C ATOM 412 CG2 ILE A 45 -3.950 5.109 -10.665 1.00 0.00 C ATOM 413 CD1 ILE A 45 -2.130 3.209 -9.087 1.00 0.00 C ATOM 0 H ILE A 45 -0.701 6.742 -9.024 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.223 4.912 -11.109 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.004 6.584 -9.377 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.699 5.038 -8.061 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.393 4.592 -8.050 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.805 4.929 -10.013 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.216 5.853 -11.416 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.669 4.179 -11.160 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.965 2.605 -8.195 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.940 2.776 -9.674 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.219 3.229 -9.685 1.00 0.00 H new ATOM 425 N ALA A 46 -2.111 8.074 -11.727 1.00 0.00 N ATOM 426 CA ALA A 46 -2.412 9.036 -12.791 1.00 0.00 C ATOM 427 C ALA A 46 -1.248 9.234 -13.782 1.00 0.00 C ATOM 428 O ALA A 46 -1.374 9.984 -14.757 1.00 0.00 O ATOM 429 CB ALA A 46 -2.843 10.354 -12.150 1.00 0.00 C ATOM 0 H ALA A 46 -2.073 8.498 -10.800 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.226 8.634 -13.394 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.071 11.081 -12.930 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.730 10.188 -11.538 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.036 10.735 -11.524 1.00 0.00 H new ATOM 435 N ALA A 47 -0.107 8.584 -13.542 1.00 0.00 N ATOM 436 CA ALA A 47 1.048 8.504 -14.422 1.00 0.00 C ATOM 437 C ALA A 47 1.262 7.093 -14.976 1.00 0.00 C ATOM 438 O ALA A 47 2.107 6.904 -15.852 1.00 0.00 O ATOM 439 CB ALA A 47 2.278 9.009 -13.672 1.00 0.00 C ATOM 0 H ALA A 47 0.038 8.070 -12.673 1.00 0.00 H new ATOM 0 HA ALA A 47 0.869 9.138 -15.291 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.150 8.953 -14.324 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.119 10.043 -13.367 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.445 8.392 -12.789 1.00 0.00 H new ATOM 445 N ASN A 48 0.498 6.106 -14.500 1.00 0.00 N ATOM 446 CA ASN A 48 0.695 4.667 -14.685 1.00 0.00 C ATOM 447 C ASN A 48 2.165 4.276 -14.474 1.00 0.00 C ATOM 448 O ASN A 48 2.722 3.461 -15.206 1.00 0.00 O ATOM 449 CB ASN A 48 0.095 4.182 -16.017 1.00 0.00 C ATOM 450 CG ASN A 48 -0.362 2.728 -15.931 1.00 0.00 C ATOM 451 OD1 ASN A 48 -1.531 2.459 -15.653 1.00 0.00 O ATOM 452 ND2 ASN A 48 0.514 1.773 -16.176 1.00 0.00 N ATOM 0 H ASN A 48 -0.329 6.305 -13.938 1.00 0.00 H new ATOM 0 HA ASN A 48 0.139 4.136 -13.912 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.751 4.814 -16.288 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.836 4.285 -16.809 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.227 0.795 -16.137 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.479 2.012 -16.405 1.00 0.00 H new ATOM 459 N GLN A 49 2.818 4.902 -13.490 1.00 0.00 N ATOM 460 CA GLN A 49 4.244 4.743 -13.177 1.00 0.00 C ATOM 461 C GLN A 49 4.448 3.922 -11.908 1.00 0.00 C ATOM 462 O GLN A 49 5.580 3.652 -11.519 1.00 0.00 O ATOM 463 CB GLN A 49 4.887 6.130 -12.972 1.00 0.00 C ATOM 464 CG GLN A 49 5.166 6.866 -14.286 1.00 0.00 C ATOM 465 CD GLN A 49 6.567 6.632 -14.839 1.00 0.00 C ATOM 466 OE1 GLN A 49 7.248 7.584 -15.199 1.00 0.00 O ATOM 467 NE2 GLN A 49 7.036 5.406 -14.985 1.00 0.00 N ATOM 0 H GLN A 49 2.351 5.559 -12.865 1.00 0.00 H new ATOM 0 HA GLN A 49 4.711 4.222 -14.012 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.229 6.741 -12.354 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.821 6.013 -12.423 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.435 6.550 -15.030 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.021 7.935 -14.130 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.476 4.607 -14.688 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.958 5.258 -15.395 1.00 0.00 H new ATOM 476 N LEU A 50 3.365 3.568 -11.227 1.00 0.00 N ATOM 477 CA LEU A 50 3.400 2.869 -9.955 1.00 0.00 C ATOM 478 C LEU A 50 3.624 1.397 -10.255 1.00 0.00 C ATOM 479 O LEU A 50 2.994 0.881 -11.171 1.00 0.00 O ATOM 480 CB LEU A 50 2.065 3.092 -9.226 1.00 0.00 C ATOM 481 CG LEU A 50 2.264 3.449 -7.742 1.00 0.00 C ATOM 482 CD1 LEU A 50 0.935 3.917 -7.164 1.00 0.00 C ATOM 483 CD2 LEU A 50 2.790 2.338 -6.842 1.00 0.00 C ATOM 0 H LEU A 50 2.419 3.765 -11.554 1.00 0.00 H new ATOM 0 HA LEU A 50 4.199 3.237 -9.312 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.513 3.892 -9.719 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.457 2.191 -9.302 1.00 0.00 H new ATOM 0 HG LEU A 50 3.036 4.218 -7.749 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.065 4.172 -6.112 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.589 4.795 -7.710 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.198 3.119 -7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.888 2.711 -5.823 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.095 1.499 -6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.764 2.008 -7.203 1.00 0.00 H new ATOM 495 N VAL A 51 4.461 0.719 -9.484 1.00 0.00 N ATOM 496 CA VAL A 51 4.735 -0.708 -9.556 1.00 0.00 C ATOM 497 C VAL A 51 4.305 -1.309 -8.215 1.00 0.00 C ATOM 498 O VAL A 51 4.322 -0.636 -7.181 1.00 0.00 O ATOM 499 CB VAL A 51 6.229 -0.948 -9.893 1.00 0.00 C ATOM 500 CG1 VAL A 51 6.628 -2.436 -9.916 1.00 0.00 C ATOM 501 CG2 VAL A 51 6.595 -0.367 -11.271 1.00 0.00 C ATOM 0 H VAL A 51 4.999 1.177 -8.748 1.00 0.00 H new ATOM 0 HA VAL A 51 4.177 -1.197 -10.355 1.00 0.00 H new ATOM 0 HB VAL A 51 6.770 -0.446 -9.091 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.687 -2.525 -10.159 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.442 -2.878 -8.937 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.038 -2.959 -10.668 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.649 -0.553 -11.476 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.987 -0.843 -12.040 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.408 0.707 -11.274 1.00 0.00 H new ATOM 511 N TYR A 52 3.897 -2.571 -8.265 1.00 0.00 N ATOM 512 CA TYR A 52 3.539 -3.462 -7.181 1.00 0.00 C ATOM 513 C TYR A 52 4.418 -4.695 -7.356 1.00 0.00 C ATOM 514 O TYR A 52 4.659 -5.128 -8.486 1.00 0.00 O ATOM 515 CB TYR A 52 2.050 -3.817 -7.325 1.00 0.00 C ATOM 516 CG TYR A 52 1.601 -5.077 -6.606 1.00 0.00 C ATOM 517 CD1 TYR A 52 1.563 -5.155 -5.201 1.00 0.00 C ATOM 518 CD2 TYR A 52 1.252 -6.203 -7.374 1.00 0.00 C ATOM 519 CE1 TYR A 52 1.173 -6.357 -4.576 1.00 0.00 C ATOM 520 CE2 TYR A 52 0.896 -7.412 -6.762 1.00 0.00 C ATOM 521 CZ TYR A 52 0.843 -7.490 -5.355 1.00 0.00 C ATOM 522 OH TYR A 52 0.454 -8.645 -4.756 1.00 0.00 O ATOM 0 H TYR A 52 3.800 -3.040 -9.165 1.00 0.00 H new ATOM 0 HA TYR A 52 3.688 -3.024 -6.194 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.458 -2.979 -6.955 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.822 -3.925 -8.385 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.832 -4.296 -4.604 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.259 -6.134 -8.452 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.126 -6.413 -3.498 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.664 -8.278 -7.364 1.00 0.00 H new ATOM 0 HH TYR A 52 0.264 -9.321 -5.440 1.00 0.00 H new ATOM 532 N GLY A 53 4.887 -5.292 -6.263 1.00 0.00 N ATOM 533 CA GLY A 53 5.729 -6.471 -6.340 1.00 0.00 C ATOM 534 C GLY A 53 5.874 -7.138 -4.985 1.00 0.00 C ATOM 535 O GLY A 53 5.299 -6.692 -3.990 1.00 0.00 O ATOM 0 H GLY A 53 4.694 -4.973 -5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.303 -7.178 -7.051 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.713 -6.193 -6.717 1.00 0.00 H new ATOM 539 N ILE A 54 6.652 -8.217 -4.971 1.00 0.00 N ATOM 540 CA ILE A 54 6.890 -9.077 -3.825 1.00 0.00 C ATOM 541 C ILE A 54 8.378 -9.023 -3.537 1.00 0.00 C ATOM 542 O ILE A 54 9.177 -9.105 -4.471 1.00 0.00 O ATOM 543 CB ILE A 54 6.455 -10.520 -4.167 1.00 0.00 C ATOM 544 CG1 ILE A 54 4.957 -10.622 -4.515 1.00 0.00 C ATOM 545 CG2 ILE A 54 6.811 -11.505 -3.042 1.00 0.00 C ATOM 546 CD1 ILE A 54 4.036 -10.401 -3.316 1.00 0.00 C ATOM 0 H ILE A 54 7.156 -8.527 -5.802 1.00 0.00 H new ATOM 0 HA ILE A 54 6.321 -8.752 -2.954 1.00 0.00 H new ATOM 0 HB ILE A 54 7.017 -10.798 -5.058 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.720 -9.888 -5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.757 -11.606 -4.940 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.489 -12.508 -3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.889 -11.501 -2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.308 -11.205 -2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.997 -10.487 -3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.245 -11.151 -2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.208 -9.407 -2.904 1.00 0.00 H new ATOM 558 N VAL A 55 8.728 -8.931 -2.257 1.00 0.00 N ATOM 559 CA VAL A 55 10.099 -8.969 -1.767 1.00 0.00 C ATOM 560 C VAL A 55 10.935 -10.067 -2.438 1.00 0.00 C ATOM 561 O VAL A 55 11.788 -9.728 -3.254 1.00 0.00 O ATOM 562 CB VAL A 55 10.049 -9.008 -0.224 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.371 -9.450 0.411 1.00 0.00 C ATOM 564 CG2 VAL A 55 9.727 -7.585 0.275 1.00 0.00 C ATOM 0 H VAL A 55 8.042 -8.825 -1.510 1.00 0.00 H new ATOM 0 HA VAL A 55 10.640 -8.067 -2.052 1.00 0.00 H new ATOM 0 HB VAL A 55 9.291 -9.736 0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.269 -9.456 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.624 -10.452 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.162 -8.757 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.685 -7.582 1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.504 -6.897 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.764 -7.268 -0.126 1.00 0.00 H new ATOM 574 N LYS A 56 10.687 -11.350 -2.115 1.00 0.00 N ATOM 575 CA LYS A 56 11.569 -12.486 -2.389 1.00 0.00 C ATOM 576 C LYS A 56 12.996 -12.295 -1.822 1.00 0.00 C ATOM 577 O LYS A 56 13.386 -11.192 -1.446 1.00 0.00 O ATOM 578 CB LYS A 56 11.548 -12.775 -3.895 1.00 0.00 C ATOM 579 CG LYS A 56 10.149 -13.171 -4.395 1.00 0.00 C ATOM 580 CD LYS A 56 10.298 -14.136 -5.566 1.00 0.00 C ATOM 581 CE LYS A 56 8.973 -14.435 -6.267 1.00 0.00 C ATOM 582 NZ LYS A 56 9.207 -15.137 -7.543 1.00 0.00 N ATOM 0 H LYS A 56 9.830 -11.628 -1.637 1.00 0.00 H new ATOM 0 HA LYS A 56 11.192 -13.362 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.888 -11.892 -4.437 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.251 -13.577 -4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.580 -13.638 -3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.595 -12.285 -4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.998 -13.716 -6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.731 -15.070 -5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.343 -15.046 -5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.435 -13.505 -6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.296 -15.331 -8.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.790 -14.541 -8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.701 -16.034 -7.360 1.00 0.00 H new ATOM 596 N PRO A 57 13.812 -13.359 -1.729 1.00 0.00 N ATOM 597 CA PRO A 57 15.199 -13.208 -1.297 1.00 0.00 C ATOM 598 C PRO A 57 16.079 -12.691 -2.443 1.00 0.00 C ATOM 599 O PRO A 57 17.140 -12.121 -2.206 1.00 0.00 O ATOM 600 CB PRO A 57 15.620 -14.602 -0.835 1.00 0.00 C ATOM 601 CG PRO A 57 14.798 -15.523 -1.728 1.00 0.00 C ATOM 602 CD PRO A 57 13.482 -14.769 -1.908 1.00 0.00 C ATOM 0 HA PRO A 57 15.308 -12.475 -0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 57 16.690 -14.764 -0.965 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.399 -14.761 0.221 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.292 -15.701 -2.683 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.642 -16.497 -1.264 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.058 -14.950 -2.896 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.741 -15.094 -1.178 1.00 0.00 H new ATOM 610 N SER A 58 15.648 -12.882 -3.692 1.00 0.00 N ATOM 611 CA SER A 58 16.395 -12.604 -4.912 1.00 0.00 C ATOM 612 C SER A 58 16.445 -11.112 -5.281 1.00 0.00 C ATOM 613 O SER A 58 16.721 -10.788 -6.439 1.00 0.00 O ATOM 614 CB SER A 58 15.778 -13.435 -6.043 1.00 0.00 C ATOM 615 OG SER A 58 15.645 -14.792 -5.653 1.00 0.00 O ATOM 0 H SER A 58 14.718 -13.255 -3.885 1.00 0.00 H new ATOM 0 HA SER A 58 17.435 -12.884 -4.746 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.801 -13.030 -6.307 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.403 -13.367 -6.934 1.00 0.00 H new ATOM 0 HG SER A 58 15.248 -15.306 -6.387 1.00 0.00 H new ATOM 621 N ASP A 59 16.192 -10.205 -4.332 1.00 0.00 N ATOM 622 CA ASP A 59 16.262 -8.753 -4.501 1.00 0.00 C ATOM 623 C ASP A 59 17.048 -8.147 -3.328 1.00 0.00 C ATOM 624 O ASP A 59 17.503 -8.886 -2.450 1.00 0.00 O ATOM 625 CB ASP A 59 14.852 -8.155 -4.645 1.00 0.00 C ATOM 626 CG ASP A 59 14.880 -6.973 -5.612 1.00 0.00 C ATOM 627 OD1 ASP A 59 15.600 -5.984 -5.333 1.00 0.00 O ATOM 628 OD2 ASP A 59 14.257 -7.045 -6.692 1.00 0.00 O ATOM 0 H ASP A 59 15.922 -10.476 -3.386 1.00 0.00 H new ATOM 0 HA ASP A 59 16.793 -8.508 -5.421 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.161 -8.916 -5.008 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.485 -7.830 -3.671 1.00 0.00 H new ATOM 633 N THR A 60 17.272 -6.835 -3.299 1.00 0.00 N ATOM 634 CA THR A 60 17.880 -6.116 -2.181 1.00 0.00 C ATOM 635 C THR A 60 16.756 -5.644 -1.259 1.00 0.00 C ATOM 636 O THR A 60 15.956 -4.802 -1.676 1.00 0.00 O ATOM 637 CB THR A 60 18.687 -4.914 -2.701 1.00 0.00 C ATOM 638 OG1 THR A 60 19.543 -5.306 -3.756 1.00 0.00 O ATOM 639 CG2 THR A 60 19.557 -4.319 -1.594 1.00 0.00 C ATOM 0 H THR A 60 17.028 -6.223 -4.078 1.00 0.00 H new ATOM 0 HA THR A 60 18.563 -6.768 -1.636 1.00 0.00 H new ATOM 0 HB THR A 60 17.968 -4.173 -3.051 1.00 0.00 H new ATOM 0 HG1 THR A 60 20.047 -4.528 -4.075 1.00 0.00 H new ATOM 0 HG21 THR A 60 20.117 -3.471 -1.988 1.00 0.00 H new ATOM 0 HG22 THR A 60 18.923 -3.985 -0.773 1.00 0.00 H new ATOM 0 HG23 THR A 60 20.252 -5.076 -1.231 1.00 0.00 H new ATOM 647 N VAL A 61 16.663 -6.199 -0.048 1.00 0.00 N ATOM 648 CA VAL A 61 15.614 -5.872 0.914 1.00 0.00 C ATOM 649 C VAL A 61 16.172 -5.903 2.349 1.00 0.00 C ATOM 650 O VAL A 61 17.237 -6.492 2.579 1.00 0.00 O ATOM 651 CB VAL A 61 14.434 -6.858 0.749 1.00 0.00 C ATOM 652 CG1 VAL A 61 13.632 -6.520 -0.519 1.00 0.00 C ATOM 653 CG2 VAL A 61 14.880 -8.328 0.744 1.00 0.00 C ATOM 0 H VAL A 61 17.324 -6.897 0.294 1.00 0.00 H new ATOM 0 HA VAL A 61 15.250 -4.862 0.723 1.00 0.00 H new ATOM 0 HB VAL A 61 13.791 -6.738 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.804 -7.221 -0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.241 -5.506 -0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.282 -6.593 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.009 -8.972 0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 61 15.571 -8.496 -0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.377 -8.560 1.686 1.00 0.00 H new ATOM 663 N PRO A 62 15.479 -5.290 3.328 1.00 0.00 N ATOM 664 CA PRO A 62 15.818 -5.405 4.743 1.00 0.00 C ATOM 665 C PRO A 62 15.456 -6.781 5.316 1.00 0.00 C ATOM 666 O PRO A 62 15.085 -7.717 4.605 1.00 0.00 O ATOM 667 CB PRO A 62 15.054 -4.270 5.436 1.00 0.00 C ATOM 668 CG PRO A 62 13.839 -4.059 4.551 1.00 0.00 C ATOM 669 CD PRO A 62 14.338 -4.398 3.148 1.00 0.00 C ATOM 0 HA PRO A 62 16.893 -5.318 4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 62 14.767 -4.543 6.452 1.00 0.00 H new ATOM 0 HB3 PRO A 62 15.659 -3.366 5.508 1.00 0.00 H new ATOM 0 HG2 PRO A 62 13.013 -4.705 4.847 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.477 -3.032 4.608 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.555 -4.880 2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.630 -3.496 2.610 1.00 0.00 H new ATOM 677 N ALA A 63 15.601 -6.902 6.635 1.00 0.00 N ATOM 678 CA ALA A 63 15.051 -7.989 7.421 1.00 0.00 C ATOM 679 C ALA A 63 13.527 -7.902 7.511 1.00 0.00 C ATOM 680 O ALA A 63 12.945 -6.814 7.428 1.00 0.00 O ATOM 681 CB ALA A 63 15.597 -7.857 8.840 1.00 0.00 C ATOM 0 H ALA A 63 16.119 -6.225 7.195 1.00 0.00 H new ATOM 0 HA ALA A 63 15.325 -8.933 6.949 1.00 0.00 H new ATOM 0 HB1 ALA A 63 15.201 -8.662 9.459 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.685 -7.918 8.818 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.295 -6.897 9.258 1.00 0.00 H new ATOM 687 N GLY A 64 12.908 -9.021 7.882 1.00 0.00 N ATOM 688 CA GLY A 64 11.558 -9.062 8.414 1.00 0.00 C ATOM 689 C GLY A 64 10.489 -8.705 7.388 1.00 0.00 C ATOM 690 O GLY A 64 9.501 -8.062 7.745 1.00 0.00 O ATOM 0 H GLY A 64 13.345 -9.941 7.818 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.359 -10.061 8.802 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.487 -8.373 9.256 1.00 0.00 H new ATOM 694 N VAL A 65 10.689 -9.052 6.119 1.00 0.00 N ATOM 695 CA VAL A 65 9.773 -8.719 5.038 1.00 0.00 C ATOM 696 C VAL A 65 9.697 -9.843 3.995 1.00 0.00 C ATOM 697 O VAL A 65 9.398 -9.550 2.846 1.00 0.00 O ATOM 698 CB VAL A 65 10.141 -7.337 4.432 1.00 0.00 C ATOM 699 CG1 VAL A 65 9.775 -6.190 5.384 1.00 0.00 C ATOM 700 CG2 VAL A 65 11.599 -7.200 3.979 1.00 0.00 C ATOM 0 H VAL A 65 11.505 -9.580 5.811 1.00 0.00 H new ATOM 0 HA VAL A 65 8.764 -8.631 5.442 1.00 0.00 H new ATOM 0 HB VAL A 65 9.538 -7.270 3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.046 -5.238 4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.703 -6.207 5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.316 -6.310 6.323 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.761 -6.203 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.261 -7.355 4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.814 -7.945 3.213 1.00 0.00 H new ATOM 710 N ASP A 66 9.944 -11.115 4.351 1.00 0.00 N ATOM 711 CA ASP A 66 10.235 -12.220 3.407 1.00 0.00 C ATOM 712 C ASP A 66 9.191 -12.456 2.329 1.00 0.00 C ATOM 713 O ASP A 66 9.450 -13.104 1.314 1.00 0.00 O ATOM 714 CB ASP A 66 10.321 -13.570 4.154 1.00 0.00 C ATOM 715 CG ASP A 66 11.529 -13.782 5.051 1.00 0.00 C ATOM 716 OD1 ASP A 66 11.797 -12.922 5.921 1.00 0.00 O ATOM 717 OD2 ASP A 66 12.141 -14.869 4.991 1.00 0.00 O ATOM 0 H ASP A 66 9.948 -11.416 5.326 1.00 0.00 H new ATOM 0 HA ASP A 66 11.169 -11.900 2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.423 -13.679 4.762 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.304 -14.370 3.413 1.00 0.00 H new ATOM 722 N ASP A 67 8.023 -11.902 2.546 1.00 0.00 N ATOM 723 CA ASP A 67 6.793 -12.093 1.818 1.00 0.00 C ATOM 724 C ASP A 67 5.948 -10.827 1.861 1.00 0.00 C ATOM 725 O ASP A 67 4.760 -10.879 1.547 1.00 0.00 O ATOM 726 CB ASP A 67 6.033 -13.276 2.438 1.00 0.00 C ATOM 727 CG ASP A 67 5.505 -13.020 3.857 1.00 0.00 C ATOM 728 OD1 ASP A 67 6.114 -12.244 4.635 1.00 0.00 O ATOM 729 OD2 ASP A 67 4.528 -13.712 4.220 1.00 0.00 O ATOM 0 H ASP A 67 7.899 -11.241 3.313 1.00 0.00 H new ATOM 0 HA ASP A 67 7.012 -12.310 0.773 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.193 -13.531 1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.692 -14.144 2.460 1.00 0.00 H new ATOM 734 N TYR A 68 6.531 -9.689 2.240 1.00 0.00 N ATOM 735 CA TYR A 68 5.812 -8.431 2.234 1.00 0.00 C ATOM 736 C TYR A 68 5.684 -7.987 0.783 1.00 0.00 C ATOM 737 O TYR A 68 6.637 -8.009 -0.002 1.00 0.00 O ATOM 738 CB TYR A 68 6.468 -7.392 3.148 1.00 0.00 C ATOM 739 CG TYR A 68 6.127 -7.532 4.630 1.00 0.00 C ATOM 740 CD1 TYR A 68 5.991 -8.798 5.237 1.00 0.00 C ATOM 741 CD2 TYR A 68 5.830 -6.383 5.392 1.00 0.00 C ATOM 742 CE1 TYR A 68 5.549 -8.919 6.561 1.00 0.00 C ATOM 743 CE2 TYR A 68 5.400 -6.503 6.728 1.00 0.00 C ATOM 744 CZ TYR A 68 5.259 -7.775 7.326 1.00 0.00 C ATOM 745 OH TYR A 68 4.813 -7.898 8.606 1.00 0.00 O ATOM 0 H TYR A 68 7.499 -9.621 2.554 1.00 0.00 H new ATOM 0 HA TYR A 68 4.813 -8.552 2.652 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.550 -7.458 3.031 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.172 -6.397 2.814 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.231 -9.687 4.673 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.933 -5.404 4.948 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.430 -9.899 6.998 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.176 -5.615 7.300 1.00 0.00 H new ATOM 0 HH TYR A 68 5.078 -7.108 9.122 1.00 0.00 H new ATOM 755 N SER A 69 4.468 -7.610 0.432 1.00 0.00 N ATOM 756 CA SER A 69 4.147 -6.904 -0.771 1.00 0.00 C ATOM 757 C SER A 69 4.755 -5.502 -0.648 1.00 0.00 C ATOM 758 O SER A 69 4.878 -4.964 0.457 1.00 0.00 O ATOM 759 CB SER A 69 2.614 -6.906 -0.829 1.00 0.00 C ATOM 760 OG SER A 69 2.153 -8.252 -0.879 1.00 0.00 O ATOM 0 H SER A 69 3.650 -7.801 1.010 1.00 0.00 H new ATOM 0 HA SER A 69 4.540 -7.341 -1.689 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.204 -6.400 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.270 -6.358 -1.706 1.00 0.00 H new ATOM 0 HG SER A 69 1.229 -8.294 -0.555 1.00 0.00 H new ATOM 766 N TYR A 70 5.149 -4.892 -1.764 1.00 0.00 N ATOM 767 CA TYR A 70 5.609 -3.510 -1.791 1.00 0.00 C ATOM 768 C TYR A 70 5.020 -2.773 -2.976 1.00 0.00 C ATOM 769 O TYR A 70 4.473 -3.386 -3.897 1.00 0.00 O ATOM 770 CB TYR A 70 7.142 -3.401 -1.739 1.00 0.00 C ATOM 771 CG TYR A 70 7.931 -3.836 -2.964 1.00 0.00 C ATOM 772 CD1 TYR A 70 8.155 -5.203 -3.219 1.00 0.00 C ATOM 773 CD2 TYR A 70 8.526 -2.870 -3.801 1.00 0.00 C ATOM 774 CE1 TYR A 70 8.983 -5.597 -4.287 1.00 0.00 C ATOM 775 CE2 TYR A 70 9.373 -3.263 -4.855 1.00 0.00 C ATOM 776 CZ TYR A 70 9.621 -4.631 -5.092 1.00 0.00 C ATOM 777 OH TYR A 70 10.474 -5.036 -6.071 1.00 0.00 O ATOM 0 H TYR A 70 5.157 -5.346 -2.677 1.00 0.00 H new ATOM 0 HA TYR A 70 5.246 -3.024 -0.885 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.396 -2.362 -1.530 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.490 -3.991 -0.891 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.690 -5.951 -2.594 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.331 -1.821 -3.633 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.131 -6.647 -4.491 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.834 -2.515 -5.483 1.00 0.00 H new ATOM 0 HH TYR A 70 10.832 -4.252 -6.538 1.00 0.00 H new ATOM 787 N LEU A 71 5.113 -1.448 -2.905 1.00 0.00 N ATOM 788 CA LEU A 71 4.638 -0.488 -3.880 1.00 0.00 C ATOM 789 C LEU A 71 5.719 0.584 -3.971 1.00 0.00 C ATOM 790 O LEU A 71 6.246 1.020 -2.941 1.00 0.00 O ATOM 791 CB LEU A 71 3.302 0.124 -3.418 1.00 0.00 C ATOM 792 CG LEU A 71 2.121 -0.873 -3.464 1.00 0.00 C ATOM 793 CD1 LEU A 71 1.021 -0.503 -2.464 1.00 0.00 C ATOM 794 CD2 LEU A 71 1.523 -0.988 -4.867 1.00 0.00 C ATOM 0 H LEU A 71 5.554 -0.992 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 71 4.458 -0.952 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.414 0.496 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.068 0.983 -4.047 1.00 0.00 H new ATOM 0 HG LEU A 71 2.533 -1.842 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.211 -1.229 -2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.431 -0.507 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.637 0.491 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.697 -1.699 -4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.157 -0.013 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.288 -1.335 -5.561 1.00 0.00 H new ATOM 806 N VAL A 72 6.056 0.997 -5.185 1.00 0.00 N ATOM 807 CA VAL A 72 7.138 1.932 -5.486 1.00 0.00 C ATOM 808 C VAL A 72 6.813 2.577 -6.830 1.00 0.00 C ATOM 809 O VAL A 72 6.049 2.007 -7.606 1.00 0.00 O ATOM 810 CB VAL A 72 8.463 1.143 -5.502 1.00 0.00 C ATOM 811 CG1 VAL A 72 8.547 0.133 -6.644 1.00 0.00 C ATOM 812 CG2 VAL A 72 9.721 2.030 -5.517 1.00 0.00 C ATOM 0 H VAL A 72 5.566 0.679 -6.021 1.00 0.00 H new ATOM 0 HA VAL A 72 7.240 2.723 -4.743 1.00 0.00 H new ATOM 0 HB VAL A 72 8.446 0.603 -4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.503 -0.389 -6.599 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.735 -0.589 -6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.463 0.654 -7.598 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.610 1.400 -5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.712 2.660 -6.407 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.733 2.659 -4.627 1.00 0.00 H new ATOM 822 N ALA A 73 7.364 3.745 -7.143 1.00 0.00 N ATOM 823 CA ALA A 73 7.273 4.244 -8.507 1.00 0.00 C ATOM 824 C ALA A 73 8.409 3.637 -9.317 1.00 0.00 C ATOM 825 O ALA A 73 9.480 3.354 -8.776 1.00 0.00 O ATOM 826 CB ALA A 73 7.412 5.752 -8.507 1.00 0.00 C ATOM 0 H ALA A 73 7.865 4.348 -6.490 1.00 0.00 H new ATOM 0 HA ALA A 73 6.310 3.973 -8.940 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.344 6.124 -9.529 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.615 6.191 -7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.378 6.028 -8.084 1.00 0.00 H new ATOM 832 N ALA A 74 8.223 3.527 -10.628 1.00 0.00 N ATOM 833 CA ALA A 74 9.276 3.050 -11.501 1.00 0.00 C ATOM 834 C ALA A 74 10.414 4.045 -11.653 1.00 0.00 C ATOM 835 O ALA A 74 11.492 3.640 -12.077 1.00 0.00 O ATOM 836 CB ALA A 74 8.705 2.675 -12.868 1.00 0.00 C ATOM 0 H ALA A 74 7.352 3.763 -11.104 1.00 0.00 H new ATOM 0 HA ALA A 74 9.698 2.162 -11.030 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.508 2.318 -13.513 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.960 1.888 -12.748 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.239 3.550 -13.320 1.00 0.00 H new ATOM 842 N ASP A 75 10.203 5.305 -11.280 1.00 0.00 N ATOM 843 CA ASP A 75 11.267 6.302 -11.259 1.00 0.00 C ATOM 844 C ASP A 75 11.725 6.568 -9.834 1.00 0.00 C ATOM 845 O ASP A 75 12.931 6.622 -9.597 1.00 0.00 O ATOM 846 CB ASP A 75 10.856 7.594 -11.992 1.00 0.00 C ATOM 847 CG ASP A 75 11.308 7.640 -13.458 1.00 0.00 C ATOM 848 OD1 ASP A 75 12.055 6.747 -13.920 1.00 0.00 O ATOM 849 OD2 ASP A 75 10.930 8.599 -14.167 1.00 0.00 O ATOM 0 H ASP A 75 9.294 5.661 -10.985 1.00 0.00 H new ATOM 0 HA ASP A 75 12.118 5.898 -11.807 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.771 7.695 -11.952 1.00 0.00 H new ATOM 0 HB3 ASP A 75 11.276 8.450 -11.464 1.00 0.00 H new ATOM 854 N ASP A 76 10.802 6.613 -8.868 1.00 0.00 N ATOM 855 CA ASP A 76 11.045 7.110 -7.494 1.00 0.00 C ATOM 856 C ASP A 76 11.687 6.013 -6.629 1.00 0.00 C ATOM 857 O ASP A 76 11.454 5.952 -5.422 1.00 0.00 O ATOM 858 CB ASP A 76 9.795 7.628 -6.726 1.00 0.00 C ATOM 859 CG ASP A 76 8.771 8.516 -7.427 1.00 0.00 C ATOM 860 OD1 ASP A 76 9.023 9.035 -8.537 1.00 0.00 O ATOM 861 OD2 ASP A 76 7.650 8.590 -6.873 1.00 0.00 O ATOM 0 H ASP A 76 9.842 6.300 -9.014 1.00 0.00 H new ATOM 0 HA ASP A 76 11.702 7.966 -7.648 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.261 6.754 -6.352 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.156 8.177 -5.856 1.00 0.00 H new ATOM 866 N GLN A 77 12.444 5.100 -7.238 1.00 0.00 N ATOM 867 CA GLN A 77 12.959 3.867 -6.650 1.00 0.00 C ATOM 868 C GLN A 77 13.635 4.154 -5.308 1.00 0.00 C ATOM 869 O GLN A 77 13.276 3.569 -4.293 1.00 0.00 O ATOM 870 CB GLN A 77 13.915 3.192 -7.650 1.00 0.00 C ATOM 871 CG GLN A 77 13.175 2.676 -8.903 1.00 0.00 C ATOM 872 CD GLN A 77 13.924 2.931 -10.208 1.00 0.00 C ATOM 873 OE1 GLN A 77 14.294 1.999 -10.915 1.00 0.00 O ATOM 874 NE2 GLN A 77 14.150 4.186 -10.560 1.00 0.00 N ATOM 0 H GLN A 77 12.730 5.209 -8.211 1.00 0.00 H new ATOM 0 HA GLN A 77 12.137 3.180 -6.447 1.00 0.00 H new ATOM 0 HB2 GLN A 77 14.685 3.903 -7.951 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.422 2.360 -7.161 1.00 0.00 H new ATOM 0 HG2 GLN A 77 13.003 1.605 -8.797 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.196 3.152 -8.958 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.835 4.949 -9.960 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.639 4.391 -11.431 1.00 0.00 H new ATOM 883 N ASP A 78 14.589 5.084 -5.286 1.00 0.00 N ATOM 884 CA ASP A 78 15.285 5.545 -4.085 1.00 0.00 C ATOM 885 C ASP A 78 14.624 6.776 -3.441 1.00 0.00 C ATOM 886 O ASP A 78 15.175 7.333 -2.489 1.00 0.00 O ATOM 887 CB ASP A 78 16.748 5.834 -4.427 1.00 0.00 C ATOM 888 CG ASP A 78 16.878 7.079 -5.298 1.00 0.00 C ATOM 889 OD1 ASP A 78 16.499 6.990 -6.489 1.00 0.00 O ATOM 890 OD2 ASP A 78 17.397 8.115 -4.826 1.00 0.00 O ATOM 0 H ASP A 78 14.910 5.553 -6.133 1.00 0.00 H new ATOM 0 HA ASP A 78 15.225 4.748 -3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.319 5.969 -3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.178 4.978 -4.946 1.00 0.00 H new ATOM 895 N GLY A 79 13.445 7.183 -3.915 1.00 0.00 N ATOM 896 CA GLY A 79 12.706 8.362 -3.488 1.00 0.00 C ATOM 897 C GLY A 79 11.666 8.014 -2.423 1.00 0.00 C ATOM 898 O GLY A 79 11.836 8.379 -1.257 1.00 0.00 O ATOM 0 H GLY A 79 12.957 6.667 -4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.399 9.104 -3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.211 8.814 -4.348 1.00 0.00 H new ATOM 902 N THR A 80 10.607 7.275 -2.773 1.00 0.00 N ATOM 903 CA THR A 80 9.630 6.773 -1.799 1.00 0.00 C ATOM 904 C THR A 80 9.335 5.313 -2.102 1.00 0.00 C ATOM 905 O THR A 80 9.237 4.921 -3.264 1.00 0.00 O ATOM 906 CB THR A 80 8.313 7.573 -1.819 1.00 0.00 C ATOM 907 OG1 THR A 80 8.549 8.961 -1.988 1.00 0.00 O ATOM 908 CG2 THR A 80 7.545 7.408 -0.498 1.00 0.00 C ATOM 0 H THR A 80 10.403 7.009 -3.736 1.00 0.00 H new ATOM 0 HA THR A 80 10.065 6.886 -0.806 1.00 0.00 H new ATOM 0 HB THR A 80 7.734 7.182 -2.656 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.694 9.439 -1.998 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.620 7.983 -0.541 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.310 6.355 -0.343 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.159 7.769 0.327 1.00 0.00 H new ATOM 916 N ILE A 81 9.146 4.512 -1.055 1.00 0.00 N ATOM 917 CA ILE A 81 8.687 3.147 -1.190 1.00 0.00 C ATOM 918 C ILE A 81 7.761 2.854 -0.015 1.00 0.00 C ATOM 919 O ILE A 81 7.893 3.491 1.038 1.00 0.00 O ATOM 920 CB ILE A 81 9.931 2.228 -1.224 1.00 0.00 C ATOM 921 CG1 ILE A 81 9.562 0.949 -1.972 1.00 0.00 C ATOM 922 CG2 ILE A 81 10.534 1.933 0.161 1.00 0.00 C ATOM 923 CD1 ILE A 81 10.711 -0.034 -2.138 1.00 0.00 C ATOM 0 H ILE A 81 9.310 4.800 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 81 8.126 2.975 -2.109 1.00 0.00 H new ATOM 0 HB ILE A 81 10.726 2.757 -1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.749 0.453 -1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.182 1.216 -2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.402 1.283 0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 81 10.839 2.868 0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 81 9.789 1.440 0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.362 -0.913 -2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.518 0.440 -2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 81 11.078 -0.334 -1.156 1.00 0.00 H new ATOM 935 N ILE A 82 6.877 1.864 -0.130 1.00 0.00 N ATOM 936 CA ILE A 82 5.983 1.449 0.947 1.00 0.00 C ATOM 937 C ILE A 82 5.883 -0.081 0.883 1.00 0.00 C ATOM 938 O ILE A 82 5.809 -0.647 -0.207 1.00 0.00 O ATOM 939 CB ILE A 82 4.609 2.165 0.836 1.00 0.00 C ATOM 940 CG1 ILE A 82 4.728 3.659 0.421 1.00 0.00 C ATOM 941 CG2 ILE A 82 3.903 2.071 2.203 1.00 0.00 C ATOM 942 CD1 ILE A 82 3.407 4.418 0.310 1.00 0.00 C ATOM 0 H ILE A 82 6.761 1.321 -0.986 1.00 0.00 H new ATOM 0 HA ILE A 82 6.370 1.738 1.924 1.00 0.00 H new ATOM 0 HB ILE A 82 4.038 1.667 0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.361 4.170 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.239 3.711 -0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.935 2.568 2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.758 1.023 2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.516 2.555 2.963 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.603 5.449 0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.775 3.941 -0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.899 4.407 1.274 1.00 0.00 H new ATOM 954 N PHE A 83 5.917 -0.761 2.034 1.00 0.00 N ATOM 955 CA PHE A 83 5.766 -2.216 2.148 1.00 0.00 C ATOM 956 C PHE A 83 4.517 -2.515 2.986 1.00 0.00 C ATOM 957 O PHE A 83 4.102 -1.692 3.811 1.00 0.00 O ATOM 958 CB PHE A 83 7.020 -2.845 2.794 1.00 0.00 C ATOM 959 CG PHE A 83 8.295 -2.833 1.963 1.00 0.00 C ATOM 960 CD1 PHE A 83 9.075 -1.663 1.890 1.00 0.00 C ATOM 961 CD2 PHE A 83 8.753 -4.004 1.322 1.00 0.00 C ATOM 962 CE1 PHE A 83 10.293 -1.658 1.187 1.00 0.00 C ATOM 963 CE2 PHE A 83 9.931 -3.970 0.551 1.00 0.00 C ATOM 964 CZ PHE A 83 10.710 -2.805 0.495 1.00 0.00 C ATOM 0 H PHE A 83 6.054 -0.303 2.935 1.00 0.00 H new ATOM 0 HA PHE A 83 5.654 -2.652 1.155 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.219 -2.323 3.730 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.789 -3.879 3.049 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.735 -0.762 2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.200 -4.926 1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.908 -0.770 1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.237 -4.847 -0.001 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.626 -2.791 -0.078 1.00 0.00 H new ATOM 974 N PHE A 84 3.916 -3.697 2.832 1.00 0.00 N ATOM 975 CA PHE A 84 2.796 -4.158 3.649 1.00 0.00 C ATOM 976 C PHE A 84 2.648 -5.679 3.551 1.00 0.00 C ATOM 977 O PHE A 84 3.045 -6.280 2.554 1.00 0.00 O ATOM 978 CB PHE A 84 1.482 -3.469 3.219 1.00 0.00 C ATOM 979 CG PHE A 84 1.000 -3.811 1.816 1.00 0.00 C ATOM 980 CD1 PHE A 84 1.695 -3.337 0.683 1.00 0.00 C ATOM 981 CD2 PHE A 84 -0.142 -4.617 1.639 1.00 0.00 C ATOM 982 CE1 PHE A 84 1.262 -3.672 -0.610 1.00 0.00 C ATOM 983 CE2 PHE A 84 -0.579 -4.945 0.344 1.00 0.00 C ATOM 984 CZ PHE A 84 0.124 -4.478 -0.779 1.00 0.00 C ATOM 0 H PHE A 84 4.201 -4.372 2.122 1.00 0.00 H new ATOM 0 HA PHE A 84 3.004 -3.892 4.685 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.700 -3.737 3.930 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.618 -2.390 3.286 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.566 -2.712 0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.682 -4.983 2.499 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.803 -3.311 -1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.458 -5.558 0.212 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.210 -4.739 -1.772 1.00 0.00 H new ATOM 994 N LYS A 85 1.993 -6.297 4.537 1.00 0.00 N ATOM 995 CA LYS A 85 1.529 -7.681 4.455 1.00 0.00 C ATOM 996 C LYS A 85 0.249 -7.767 5.263 1.00 0.00 C ATOM 997 O LYS A 85 0.278 -7.576 6.478 1.00 0.00 O ATOM 998 CB LYS A 85 2.610 -8.640 4.981 1.00 0.00 C ATOM 999 CG LYS A 85 2.915 -9.832 4.058 1.00 0.00 C ATOM 1000 CD LYS A 85 1.949 -11.010 4.114 1.00 0.00 C ATOM 1001 CE LYS A 85 0.784 -10.786 3.142 1.00 0.00 C ATOM 1002 NZ LYS A 85 -0.142 -11.929 3.087 1.00 0.00 N ATOM 0 H LYS A 85 1.768 -5.844 5.423 1.00 0.00 H new ATOM 0 HA LYS A 85 1.334 -7.976 3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.530 -8.077 5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.297 -9.021 5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.947 -9.467 3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.913 -10.200 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.473 -11.931 3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.568 -11.130 5.128 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.234 -9.893 3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.181 -10.597 2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.374 -12.141 2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.306 -12.760 3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.014 -11.695 3.604 1.00 0.00 H new ATOM 1016 N ALA A 86 -0.885 -7.947 4.587 1.00 0.00 N ATOM 1017 CA ALA A 86 -2.153 -8.179 5.254 1.00 0.00 C ATOM 1018 C ALA A 86 -2.279 -9.668 5.553 1.00 0.00 C ATOM 1019 O ALA A 86 -2.148 -10.495 4.643 1.00 0.00 O ATOM 1020 CB ALA A 86 -3.308 -7.690 4.403 1.00 0.00 C ATOM 0 H ALA A 86 -0.945 -7.935 3.569 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.186 -7.619 6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.247 -7.875 4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.198 -6.621 4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.310 -8.222 3.452 1.00 0.00 H new ATOM 1026 N GLU A 87 -2.502 -9.996 6.818 1.00 0.00 N ATOM 1027 CA GLU A 87 -2.607 -11.330 7.374 1.00 0.00 C ATOM 1028 C GLU A 87 -3.506 -11.333 8.608 1.00 0.00 C ATOM 1029 O GLU A 87 -3.531 -10.342 9.329 1.00 0.00 O ATOM 1030 CB GLU A 87 -1.193 -11.740 7.791 1.00 0.00 C ATOM 1031 CG GLU A 87 -0.635 -12.733 6.788 1.00 0.00 C ATOM 1032 CD GLU A 87 -1.164 -14.136 7.099 1.00 0.00 C ATOM 1033 OE1 GLU A 87 -2.381 -14.298 7.341 1.00 0.00 O ATOM 1034 OE2 GLU A 87 -0.356 -15.078 7.244 1.00 0.00 O ATOM 0 H GLU A 87 -2.623 -9.279 7.533 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.036 -12.014 6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.550 -10.862 7.845 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.211 -12.184 8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.921 -12.442 5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.454 -12.728 6.825 1.00 0.00 H new ATOM 1041 N GLY A 88 -4.184 -12.448 8.891 1.00 0.00 N ATOM 1042 CA GLY A 88 -4.953 -12.673 10.120 1.00 0.00 C ATOM 1043 C GLY A 88 -5.859 -11.497 10.508 1.00 0.00 C ATOM 1044 O GLY A 88 -5.769 -10.992 11.626 1.00 0.00 O ATOM 0 H GLY A 88 -4.215 -13.243 8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.566 -13.566 9.996 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.262 -12.872 10.939 1.00 0.00 H new ATOM 1048 N GLN A 89 -6.715 -11.037 9.587 1.00 0.00 N ATOM 1049 CA GLN A 89 -7.559 -9.834 9.698 1.00 0.00 C ATOM 1050 C GLN A 89 -6.794 -8.521 9.949 1.00 0.00 C ATOM 1051 O GLN A 89 -7.448 -7.515 10.202 1.00 0.00 O ATOM 1052 CB GLN A 89 -8.715 -10.002 10.716 1.00 0.00 C ATOM 1053 CG GLN A 89 -9.771 -11.059 10.396 1.00 0.00 C ATOM 1054 CD GLN A 89 -10.409 -10.882 9.022 1.00 0.00 C ATOM 1055 OE1 GLN A 89 -11.296 -10.060 8.791 1.00 0.00 O ATOM 1056 NE2 GLN A 89 -9.954 -11.632 8.037 1.00 0.00 N ATOM 0 H GLN A 89 -6.847 -11.517 8.697 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.991 -9.737 8.702 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.280 -10.240 11.687 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.218 -9.041 10.819 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.314 -12.047 10.451 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.550 -11.025 11.157 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.219 -12.317 8.215 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.337 -11.527 7.097 1.00 0.00 H new ATOM 1065 N THR A 90 -5.472 -8.482 9.812 1.00 0.00 N ATOM 1066 CA THR A 90 -4.546 -7.424 10.218 1.00 0.00 C ATOM 1067 C THR A 90 -3.659 -7.042 9.018 1.00 0.00 C ATOM 1068 O THR A 90 -3.680 -7.738 8.004 1.00 0.00 O ATOM 1069 CB THR A 90 -3.705 -7.917 11.420 1.00 0.00 C ATOM 1070 OG1 THR A 90 -4.496 -8.685 12.303 1.00 0.00 O ATOM 1071 CG2 THR A 90 -3.123 -6.771 12.258 1.00 0.00 C ATOM 0 H THR A 90 -4.975 -9.258 9.375 1.00 0.00 H new ATOM 0 HA THR A 90 -5.092 -6.534 10.532 1.00 0.00 H new ATOM 0 HB THR A 90 -2.896 -8.500 10.979 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.717 -9.542 11.883 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.544 -7.182 13.085 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.476 -6.155 11.633 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.935 -6.160 12.652 1.00 0.00 H new ATOM 1079 N VAL A 91 -2.871 -5.961 9.097 1.00 0.00 N ATOM 1080 CA VAL A 91 -1.904 -5.580 8.075 1.00 0.00 C ATOM 1081 C VAL A 91 -0.791 -4.723 8.621 1.00 0.00 C ATOM 1082 O VAL A 91 -1.024 -3.562 8.942 1.00 0.00 O ATOM 1083 CB VAL A 91 -2.596 -4.910 6.886 1.00 0.00 C ATOM 1084 CG1 VAL A 91 -3.507 -3.726 7.101 1.00 0.00 C ATOM 1085 CG2 VAL A 91 -1.644 -4.592 5.721 1.00 0.00 C ATOM 0 H VAL A 91 -2.893 -5.320 9.890 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.438 -6.500 7.721 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.283 -5.722 6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.902 -3.392 6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.332 -4.015 7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.946 -2.915 7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.203 -4.119 4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.861 -3.916 6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.193 -5.515 5.357 1.00 0.00 H new ATOM 1095 N ILE A 92 0.410 -5.286 8.697 1.00 0.00 N ATOM 1096 CA ILE A 92 1.619 -4.579 9.057 1.00 0.00 C ATOM 1097 C ILE A 92 2.063 -3.824 7.802 1.00 0.00 C ATOM 1098 O ILE A 92 2.698 -4.386 6.913 1.00 0.00 O ATOM 1099 CB ILE A 92 2.709 -5.532 9.596 1.00 0.00 C ATOM 1100 CG1 ILE A 92 2.230 -6.616 10.590 1.00 0.00 C ATOM 1101 CG2 ILE A 92 3.803 -4.698 10.293 1.00 0.00 C ATOM 1102 CD1 ILE A 92 1.508 -7.809 9.944 1.00 0.00 C ATOM 0 H ILE A 92 0.566 -6.275 8.503 1.00 0.00 H new ATOM 0 HA ILE A 92 1.438 -3.883 9.876 1.00 0.00 H new ATOM 0 HB ILE A 92 3.069 -6.069 8.719 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.092 -6.988 11.144 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.561 -6.154 11.315 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.577 -5.362 10.677 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.243 -4.004 9.577 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.363 -4.138 11.118 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.210 -8.516 10.718 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.623 -7.456 9.415 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.179 -8.303 9.241 1.00 0.00 H new ATOM 1114 N ILE A 93 1.684 -2.557 7.693 1.00 0.00 N ATOM 1115 CA ILE A 93 2.249 -1.602 6.755 1.00 0.00 C ATOM 1116 C ILE A 93 3.604 -1.202 7.345 1.00 0.00 C ATOM 1117 O ILE A 93 3.687 -0.787 8.508 1.00 0.00 O ATOM 1118 CB ILE A 93 1.324 -0.375 6.555 1.00 0.00 C ATOM 1119 CG1 ILE A 93 -0.158 -0.775 6.352 1.00 0.00 C ATOM 1120 CG2 ILE A 93 1.830 0.450 5.351 1.00 0.00 C ATOM 1121 CD1 ILE A 93 -1.099 0.430 6.282 1.00 0.00 C ATOM 0 H ILE A 93 0.950 -2.155 8.276 1.00 0.00 H new ATOM 0 HA ILE A 93 2.360 -2.038 5.762 1.00 0.00 H new ATOM 0 HB ILE A 93 1.362 0.225 7.464 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.250 -1.354 5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.469 -1.424 7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.183 1.315 5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.849 0.787 5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.816 -0.169 4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.123 0.084 6.139 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.034 0.997 7.211 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.811 1.068 5.446 1.00 0.00 H new ATOM 1133 N LYS A 94 4.666 -1.293 6.550 1.00 0.00 N ATOM 1134 CA LYS A 94 6.040 -0.941 6.897 1.00 0.00 C ATOM 1135 C LYS A 94 6.446 0.190 5.956 1.00 0.00 C ATOM 1136 O LYS A 94 6.538 -0.045 4.754 1.00 0.00 O ATOM 1137 CB LYS A 94 6.941 -2.186 6.751 1.00 0.00 C ATOM 1138 CG LYS A 94 6.883 -3.093 7.990 1.00 0.00 C ATOM 1139 CD LYS A 94 7.931 -4.216 7.932 1.00 0.00 C ATOM 1140 CE LYS A 94 7.960 -5.016 9.244 1.00 0.00 C ATOM 1141 NZ LYS A 94 9.181 -5.842 9.369 1.00 0.00 N ATOM 0 H LYS A 94 4.587 -1.634 5.592 1.00 0.00 H new ATOM 0 HA LYS A 94 6.139 -0.607 7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.634 -2.754 5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.970 -1.870 6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.044 -2.493 8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.888 -3.530 8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.707 -4.884 7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.916 -3.789 7.741 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.901 -4.329 10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.082 -5.659 9.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.141 -6.389 10.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.244 -6.493 8.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.018 -5.225 9.382 1.00 0.00 H new ATOM 1155 N TYR A 95 6.623 1.419 6.453 1.00 0.00 N ATOM 1156 CA TYR A 95 7.007 2.560 5.610 1.00 0.00 C ATOM 1157 C TYR A 95 8.244 3.294 6.129 1.00 0.00 C ATOM 1158 O TYR A 95 8.641 3.099 7.281 1.00 0.00 O ATOM 1159 CB TYR A 95 5.816 3.495 5.421 1.00 0.00 C ATOM 1160 CG TYR A 95 5.208 4.004 6.709 1.00 0.00 C ATOM 1161 CD1 TYR A 95 5.761 5.085 7.421 1.00 0.00 C ATOM 1162 CD2 TYR A 95 4.088 3.334 7.216 1.00 0.00 C ATOM 1163 CE1 TYR A 95 5.175 5.502 8.631 1.00 0.00 C ATOM 1164 CE2 TYR A 95 3.496 3.753 8.416 1.00 0.00 C ATOM 1165 CZ TYR A 95 4.020 4.856 9.123 1.00 0.00 C ATOM 1166 OH TYR A 95 3.421 5.264 10.275 1.00 0.00 O ATOM 0 H TYR A 95 6.506 1.651 7.439 1.00 0.00 H new ATOM 0 HA TYR A 95 7.295 2.169 4.634 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.132 4.348 4.821 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.047 2.973 4.852 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.634 5.594 7.039 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.678 2.491 6.680 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.611 6.320 9.186 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.634 3.229 8.801 1.00 0.00 H new ATOM 0 HH TYR A 95 2.639 4.701 10.454 1.00 0.00 H new ATOM 1176 N THR A 96 8.848 4.136 5.284 1.00 0.00 N ATOM 1177 CA THR A 96 10.047 4.916 5.564 1.00 0.00 C ATOM 1178 C THR A 96 9.974 6.226 4.773 1.00 0.00 C ATOM 1179 O THR A 96 9.099 6.393 3.918 1.00 0.00 O ATOM 1180 CB THR A 96 11.293 4.073 5.224 1.00 0.00 C ATOM 1181 OG1 THR A 96 12.428 4.699 5.784 1.00 0.00 O ATOM 1182 CG2 THR A 96 11.491 3.827 3.725 1.00 0.00 C ATOM 0 H THR A 96 8.493 4.296 4.341 1.00 0.00 H new ATOM 0 HA THR A 96 10.118 5.174 6.621 1.00 0.00 H new ATOM 0 HB THR A 96 11.144 3.083 5.655 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.138 4.751 5.111 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.388 3.227 3.570 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.626 3.297 3.326 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.600 4.782 3.211 1.00 0.00 H new ATOM 1190 N SER A 97 10.916 7.129 5.043 1.00 0.00 N ATOM 1191 CA SER A 97 11.183 8.335 4.273 1.00 0.00 C ATOM 1192 C SER A 97 12.564 8.300 3.616 1.00 0.00 C ATOM 1193 O SER A 97 12.912 9.229 2.890 1.00 0.00 O ATOM 1194 CB SER A 97 10.978 9.578 5.143 1.00 0.00 C ATOM 1195 OG SER A 97 11.583 9.410 6.420 1.00 0.00 O ATOM 0 H SER A 97 11.541 7.031 5.843 1.00 0.00 H new ATOM 0 HA SER A 97 10.465 8.383 3.454 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.405 10.449 4.646 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.912 9.770 5.264 1.00 0.00 H new ATOM 0 HG SER A 97 11.441 10.217 6.958 1.00 0.00 H new ATOM 1201 N GLN A 98 13.340 7.233 3.838 1.00 0.00 N ATOM 1202 CA GLN A 98 14.456 6.897 2.965 1.00 0.00 C ATOM 1203 C GLN A 98 14.554 5.383 2.835 1.00 0.00 C ATOM 1204 O GLN A 98 14.389 4.656 3.820 1.00 0.00 O ATOM 1205 CB GLN A 98 15.797 7.456 3.460 1.00 0.00 C ATOM 1206 CG GLN A 98 15.946 8.971 3.269 1.00 0.00 C ATOM 1207 CD GLN A 98 17.403 9.414 3.393 1.00 0.00 C ATOM 1208 OE1 GLN A 98 18.306 8.809 2.819 1.00 0.00 O ATOM 1209 NE2 GLN A 98 17.698 10.476 4.119 1.00 0.00 N ATOM 0 H GLN A 98 13.210 6.590 4.619 1.00 0.00 H new ATOM 0 HA GLN A 98 14.258 7.359 1.998 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.910 7.220 4.518 1.00 0.00 H new ATOM 0 HB3 GLN A 98 16.607 6.952 2.933 1.00 0.00 H new ATOM 0 HG2 GLN A 98 15.561 9.254 2.289 1.00 0.00 H new ATOM 0 HG3 GLN A 98 15.342 9.493 4.011 1.00 0.00 H new ATOM 0 HE21 GLN A 98 16.958 10.987 4.600 1.00 0.00 H new ATOM 0 HE22 GLN A 98 18.666 10.786 4.199 1.00 0.00 H new ATOM 1218 N ARG A 99 14.911 4.896 1.645 1.00 0.00 N ATOM 1219 CA ARG A 99 15.131 3.473 1.384 1.00 0.00 C ATOM 1220 C ARG A 99 16.243 2.858 2.232 1.00 0.00 C ATOM 1221 O ARG A 99 16.343 1.629 2.258 1.00 0.00 O ATOM 1222 CB ARG A 99 15.427 3.255 -0.112 1.00 0.00 C ATOM 1223 CG ARG A 99 14.153 3.215 -0.970 1.00 0.00 C ATOM 1224 CD ARG A 99 14.102 1.964 -1.854 1.00 0.00 C ATOM 1225 NE ARG A 99 15.177 1.916 -2.861 1.00 0.00 N ATOM 1226 CZ ARG A 99 15.325 0.930 -3.753 1.00 0.00 C ATOM 1227 NH1 ARG A 99 14.594 -0.168 -3.681 1.00 0.00 N ATOM 1228 NH2 ARG A 99 16.230 1.001 -4.716 1.00 0.00 N ATOM 0 H ARG A 99 15.057 5.486 0.826 1.00 0.00 H new ATOM 0 HA ARG A 99 14.211 2.961 1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 99 16.076 4.054 -0.470 1.00 0.00 H new ATOM 0 HB3 ARG A 99 15.974 2.320 -0.237 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.277 3.238 -0.322 1.00 0.00 H new ATOM 0 HG3 ARG A 99 14.109 4.105 -1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.166 1.078 -1.222 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.138 1.925 -2.360 1.00 0.00 H new ATOM 0 HE ARG A 99 15.850 2.682 -2.879 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.904 -0.273 -2.937 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.719 -0.910 -4.369 1.00 0.00 H new ATOM 0 HH21 ARG A 99 16.833 1.820 -4.790 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.324 0.237 -5.385 1.00 0.00 H new ATOM 1242 N ASN A 100 17.047 3.657 2.944 1.00 0.00 N ATOM 1243 CA ASN A 100 18.102 3.158 3.829 1.00 0.00 C ATOM 1244 C ASN A 100 17.763 3.170 5.313 1.00 0.00 C ATOM 1245 O ASN A 100 18.609 2.783 6.116 1.00 0.00 O ATOM 1246 CB ASN A 100 19.476 3.787 3.586 1.00 0.00 C ATOM 1247 CG ASN A 100 19.445 5.267 3.867 1.00 0.00 C ATOM 1248 OD1 ASN A 100 19.771 5.757 4.947 1.00 0.00 O ATOM 1249 ND2 ASN A 100 18.934 5.960 2.878 1.00 0.00 N ATOM 0 H ASN A 100 16.982 4.675 2.921 1.00 0.00 H new ATOM 0 HA ASN A 100 18.164 2.110 3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 100 20.218 3.307 4.223 1.00 0.00 H new ATOM 0 HB3 ASN A 100 19.782 3.615 2.554 1.00 0.00 H new ATOM 0 HD21 ASN A 100 18.787 6.964 2.981 1.00 0.00 H new ATOM 0 HD22 ASN A 100 18.683 5.495 2.005 1.00 0.00 H new ATOM 1256 N THR A 101 16.565 3.593 5.689 1.00 0.00 N ATOM 1257 CA THR A 101 16.193 3.750 7.097 1.00 0.00 C ATOM 1258 C THR A 101 15.110 2.759 7.534 1.00 0.00 C ATOM 1259 O THR A 101 14.356 2.209 6.723 1.00 0.00 O ATOM 1260 CB THR A 101 15.892 5.219 7.451 1.00 0.00 C ATOM 1261 OG1 THR A 101 15.008 5.831 6.538 1.00 0.00 O ATOM 1262 CG2 THR A 101 17.164 6.067 7.495 1.00 0.00 C ATOM 0 H THR A 101 15.823 3.837 5.034 1.00 0.00 H new ATOM 0 HA THR A 101 17.064 3.483 7.696 1.00 0.00 H new ATOM 0 HB THR A 101 15.427 5.178 8.436 1.00 0.00 H new ATOM 0 HG1 THR A 101 14.151 5.355 6.543 1.00 0.00 H new ATOM 0 HG21 THR A 101 16.907 7.096 7.748 1.00 0.00 H new ATOM 0 HG22 THR A 101 17.842 5.667 8.248 1.00 0.00 H new ATOM 0 HG23 THR A 101 17.651 6.044 6.520 1.00 0.00 H new ATOM 1270 N LYS A 102 15.078 2.504 8.846 1.00 0.00 N ATOM 1271 CA LYS A 102 14.317 1.440 9.491 1.00 0.00 C ATOM 1272 C LYS A 102 12.827 1.683 9.306 1.00 0.00 C ATOM 1273 O LYS A 102 12.357 2.803 9.522 1.00 0.00 O ATOM 1274 CB LYS A 102 14.745 1.363 10.972 1.00 0.00 C ATOM 1275 CG LYS A 102 14.316 0.052 11.643 1.00 0.00 C ATOM 1276 CD LYS A 102 12.953 0.121 12.340 1.00 0.00 C ATOM 1277 CE LYS A 102 12.305 -1.264 12.286 1.00 0.00 C ATOM 1278 NZ LYS A 102 11.077 -1.331 13.100 1.00 0.00 N ATOM 0 H LYS A 102 15.608 3.063 9.515 1.00 0.00 H new ATOM 0 HA LYS A 102 14.525 0.472 9.035 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.828 1.463 11.039 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.313 2.203 11.515 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.287 -0.736 10.891 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.072 -0.233 12.375 1.00 0.00 H new ATOM 0 HD2 LYS A 102 13.073 0.442 13.375 1.00 0.00 H new ATOM 0 HD3 LYS A 102 12.315 0.856 11.850 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.068 -1.514 11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.016 -2.011 12.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.820 -2.326 13.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.241 -0.864 14.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.302 -0.850 12.600 1.00 0.00 H new ATOM 1292 N LEU A 103 12.075 0.665 8.908 1.00 0.00 N ATOM 1293 CA LEU A 103 10.667 0.809 8.560 1.00 0.00 C ATOM 1294 C LEU A 103 9.834 0.887 9.831 1.00 0.00 C ATOM 1295 O LEU A 103 10.087 0.153 10.791 1.00 0.00 O ATOM 1296 CB LEU A 103 10.214 -0.387 7.720 1.00 0.00 C ATOM 1297 CG LEU A 103 10.915 -0.445 6.351 1.00 0.00 C ATOM 1298 CD1 LEU A 103 11.086 -1.890 5.921 1.00 0.00 C ATOM 1299 CD2 LEU A 103 10.137 0.303 5.274 1.00 0.00 C ATOM 0 H LEU A 103 12.426 -0.288 8.817 1.00 0.00 H new ATOM 0 HA LEU A 103 10.532 1.723 7.981 1.00 0.00 H new ATOM 0 HB2 LEU A 103 10.415 -1.308 8.267 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.136 -0.334 7.570 1.00 0.00 H new ATOM 0 HG LEU A 103 11.886 0.038 6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 103 11.583 -1.925 4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 103 11.690 -2.420 6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 103 10.108 -2.365 5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 103 10.670 0.234 4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.147 -0.140 5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.037 1.350 5.559 1.00 0.00 H new ATOM 1311 N LYS A 104 8.820 1.750 9.825 1.00 0.00 N ATOM 1312 CA LYS A 104 7.880 1.938 10.931 1.00 0.00 C ATOM 1313 C LYS A 104 7.010 0.680 11.130 1.00 0.00 C ATOM 1314 O LYS A 104 7.216 -0.360 10.491 1.00 0.00 O ATOM 1315 CB LYS A 104 7.064 3.235 10.694 1.00 0.00 C ATOM 1316 CG LYS A 104 7.553 4.445 11.512 1.00 0.00 C ATOM 1317 CD LYS A 104 8.865 5.035 10.978 1.00 0.00 C ATOM 1318 CE LYS A 104 9.476 6.104 11.903 1.00 0.00 C ATOM 1319 NZ LYS A 104 8.633 7.300 12.101 1.00 0.00 N ATOM 0 H LYS A 104 8.623 2.356 9.028 1.00 0.00 H new ATOM 0 HA LYS A 104 8.419 2.067 11.869 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.103 3.487 9.634 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.019 3.044 10.938 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.784 5.217 11.505 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.692 4.143 12.550 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.587 4.230 10.839 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.684 5.474 9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.677 5.653 12.875 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.436 6.416 11.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.119 7.966 12.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.460 7.759 11.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.725 7.019 12.524 1.00 0.00 H new ATOM 1333 N ALA A 105 6.026 0.752 12.032 1.00 0.00 N ATOM 1334 CA ALA A 105 5.094 -0.330 12.321 1.00 0.00 C ATOM 1335 C ALA A 105 3.690 0.247 12.454 1.00 0.00 C ATOM 1336 O ALA A 105 3.369 0.842 13.479 1.00 0.00 O ATOM 1337 CB ALA A 105 5.536 -1.065 13.596 1.00 0.00 C ATOM 0 H ALA A 105 5.856 1.587 12.592 1.00 0.00 H new ATOM 0 HA ALA A 105 5.087 -1.057 11.509 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.838 -1.874 13.810 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.535 -1.477 13.451 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.550 -0.366 14.433 1.00 0.00 H new ATOM 1343 N LYS A 106 2.856 0.110 11.427 1.00 0.00 N ATOM 1344 CA LYS A 106 1.448 0.494 11.426 1.00 0.00 C ATOM 1345 C LYS A 106 0.718 -0.803 11.109 1.00 0.00 C ATOM 1346 O LYS A 106 0.984 -1.363 10.054 1.00 0.00 O ATOM 1347 CB LYS A 106 1.278 1.593 10.366 1.00 0.00 C ATOM 1348 CG LYS A 106 -0.143 2.124 10.121 1.00 0.00 C ATOM 1349 CD LYS A 106 -0.423 3.398 10.926 1.00 0.00 C ATOM 1350 CE LYS A 106 -1.785 4.007 10.558 1.00 0.00 C ATOM 1351 NZ LYS A 106 -2.239 5.005 11.549 1.00 0.00 N ATOM 0 H LYS A 106 3.155 -0.288 10.537 1.00 0.00 H new ATOM 0 HA LYS A 106 1.060 0.909 12.356 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.908 2.436 10.650 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.663 1.212 9.420 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.276 2.329 9.059 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.869 1.357 10.391 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.401 3.169 11.991 1.00 0.00 H new ATOM 0 HD3 LYS A 106 0.365 4.128 10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.717 4.477 9.577 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -2.527 3.212 10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -3.161 5.388 11.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -2.330 4.552 12.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -1.546 5.778 11.606 1.00 0.00 H new ATOM 1365 N ALA A 107 -0.056 -1.362 12.032 1.00 0.00 N ATOM 1366 CA ALA A 107 -0.579 -2.724 11.945 1.00 0.00 C ATOM 1367 C ALA A 107 -2.093 -2.661 12.125 1.00 0.00 C ATOM 1368 O ALA A 107 -2.500 -2.411 13.267 1.00 0.00 O ATOM 1369 CB ALA A 107 0.102 -3.615 12.994 1.00 0.00 C ATOM 0 H ALA A 107 -0.344 -0.873 12.879 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.363 -3.168 10.973 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.293 -4.628 12.923 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.177 -3.631 12.815 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.094 -3.219 13.990 1.00 0.00 H new ATOM 1375 N LEU A 108 -2.918 -2.833 11.075 1.00 0.00 N ATOM 1376 CA LEU A 108 -4.296 -2.326 11.127 1.00 0.00 C ATOM 1377 C LEU A 108 -5.253 -3.446 10.758 1.00 0.00 C ATOM 1378 O LEU A 108 -4.823 -4.331 10.024 1.00 0.00 O ATOM 1379 CB LEU A 108 -4.439 -1.199 10.101 1.00 0.00 C ATOM 1380 CG LEU A 108 -3.535 0.024 10.337 1.00 0.00 C ATOM 1381 CD1 LEU A 108 -3.435 0.799 9.024 1.00 0.00 C ATOM 1382 CD2 LEU A 108 -4.076 0.911 11.458 1.00 0.00 C ATOM 0 H LEU A 108 -2.663 -3.304 10.207 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.522 -1.960 12.129 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.226 -1.602 9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.477 -0.867 10.093 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.546 -0.307 10.652 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.798 1.673 9.165 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.006 0.157 8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.429 1.121 8.715 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.413 1.765 11.598 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.073 1.264 11.193 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.128 0.337 12.383 1.00 0.00 H new ATOM 1394 N THR A 109 -6.516 -3.445 11.184 1.00 0.00 N ATOM 1395 CA THR A 109 -7.394 -4.509 10.714 1.00 0.00 C ATOM 1396 C THR A 109 -7.793 -4.300 9.248 1.00 0.00 C ATOM 1397 O THR A 109 -7.970 -3.164 8.810 1.00 0.00 O ATOM 1398 CB THR A 109 -8.559 -4.769 11.678 1.00 0.00 C ATOM 1399 OG1 THR A 109 -9.231 -3.606 12.059 1.00 0.00 O ATOM 1400 CG2 THR A 109 -8.035 -5.463 12.936 1.00 0.00 C ATOM 0 H THR A 109 -6.934 -2.762 11.816 1.00 0.00 H new ATOM 0 HA THR A 109 -6.834 -5.444 10.721 1.00 0.00 H new ATOM 0 HB THR A 109 -9.270 -5.398 11.143 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.962 -3.836 12.670 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.862 -5.648 13.621 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.572 -6.411 12.662 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.297 -4.826 13.422 1.00 0.00 H new ATOM 1408 N LEU A 110 -7.993 -5.375 8.471 1.00 0.00 N ATOM 1409 CA LEU A 110 -8.624 -5.308 7.152 1.00 0.00 C ATOM 1410 C LEU A 110 -9.893 -4.450 7.227 1.00 0.00 C ATOM 1411 O LEU A 110 -10.138 -3.548 6.428 1.00 0.00 O ATOM 1412 CB LEU A 110 -9.018 -6.735 6.723 1.00 0.00 C ATOM 1413 CG LEU A 110 -7.893 -7.683 6.285 1.00 0.00 C ATOM 1414 CD1 LEU A 110 -8.487 -9.046 5.904 1.00 0.00 C ATOM 1415 CD2 LEU A 110 -7.144 -7.162 5.073 1.00 0.00 C ATOM 0 H LEU A 110 -7.719 -6.318 8.745 1.00 0.00 H new ATOM 0 HA LEU A 110 -7.929 -4.869 6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.546 -7.202 7.555 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.728 -6.654 5.900 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.203 -7.763 7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.687 -9.718 5.593 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.004 -9.471 6.764 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.193 -8.919 5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.358 -7.866 4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.836 -7.050 4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.699 -6.195 5.308 1.00 0.00 H new ATOM 1427 N SER A 111 -10.727 -4.745 8.219 1.00 0.00 N ATOM 1428 CA SER A 111 -12.029 -4.135 8.391 1.00 0.00 C ATOM 1429 C SER A 111 -11.931 -2.673 8.837 1.00 0.00 C ATOM 1430 O SER A 111 -12.934 -1.957 8.770 1.00 0.00 O ATOM 1431 CB SER A 111 -12.780 -4.977 9.421 1.00 0.00 C ATOM 1432 OG SER A 111 -14.153 -5.102 9.061 1.00 0.00 O ATOM 0 H SER A 111 -10.505 -5.432 8.940 1.00 0.00 H new ATOM 0 HA SER A 111 -12.559 -4.115 7.439 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.326 -5.965 9.492 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.697 -4.517 10.405 1.00 0.00 H new ATOM 0 HG SER A 111 -14.619 -5.645 9.731 1.00 0.00 H new ATOM 1438 N GLN A 112 -10.773 -2.218 9.317 1.00 0.00 N ATOM 1439 CA GLN A 112 -10.500 -0.838 9.604 1.00 0.00 C ATOM 1440 C GLN A 112 -10.264 -0.118 8.275 1.00 0.00 C ATOM 1441 O GLN A 112 -11.021 0.797 7.973 1.00 0.00 O ATOM 1442 CB GLN A 112 -9.373 -0.828 10.637 1.00 0.00 C ATOM 1443 CG GLN A 112 -8.768 0.538 10.792 1.00 0.00 C ATOM 1444 CD GLN A 112 -9.790 1.537 11.297 1.00 0.00 C ATOM 1445 OE1 GLN A 112 -10.065 2.547 10.670 1.00 0.00 O ATOM 1446 NE2 GLN A 112 -10.405 1.263 12.427 1.00 0.00 N ATOM 0 H GLN A 112 -9.984 -2.832 9.518 1.00 0.00 H new ATOM 0 HA GLN A 112 -11.315 -0.276 10.060 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -9.759 -1.165 11.599 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -8.600 -1.536 10.338 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -7.929 0.490 11.486 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.371 0.873 9.834 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -10.168 0.416 12.944 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.119 1.897 12.786 1.00 0.00 H new ATOM 1455 N LEU A 113 -9.313 -0.554 7.442 1.00 0.00 N ATOM 1456 CA LEU A 113 -9.022 0.091 6.151 1.00 0.00 C ATOM 1457 C LEU A 113 -10.268 0.191 5.272 1.00 0.00 C ATOM 1458 O LEU A 113 -10.460 1.192 4.579 1.00 0.00 O ATOM 1459 CB LEU A 113 -7.961 -0.706 5.364 1.00 0.00 C ATOM 1460 CG LEU A 113 -6.485 -0.459 5.717 1.00 0.00 C ATOM 1461 CD1 LEU A 113 -6.055 1.005 5.607 1.00 0.00 C ATOM 1462 CD2 LEU A 113 -6.126 -0.992 7.097 1.00 0.00 C ATOM 0 H LEU A 113 -8.723 -1.362 7.640 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.656 1.091 6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -8.167 -1.768 5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -8.095 -0.489 4.304 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.932 -1.016 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.002 1.096 5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.203 1.352 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -6.654 1.612 6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.074 -0.794 7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.741 -0.498 7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.306 -2.066 7.130 1.00 0.00 H new ATOM 1474 N LYS A 114 -11.134 -0.831 5.293 1.00 0.00 N ATOM 1475 CA LYS A 114 -12.420 -0.751 4.597 1.00 0.00 C ATOM 1476 C LYS A 114 -13.219 0.456 5.095 1.00 0.00 C ATOM 1477 O LYS A 114 -13.813 1.171 4.291 1.00 0.00 O ATOM 1478 CB LYS A 114 -13.212 -2.060 4.779 1.00 0.00 C ATOM 1479 CG LYS A 114 -14.583 -1.964 4.075 1.00 0.00 C ATOM 1480 CD LYS A 114 -15.529 -3.148 4.296 1.00 0.00 C ATOM 1481 CE LYS A 114 -15.398 -4.179 3.172 1.00 0.00 C ATOM 1482 NZ LYS A 114 -16.578 -5.059 3.073 1.00 0.00 N ATOM 0 H LYS A 114 -10.968 -1.712 5.779 1.00 0.00 H new ATOM 0 HA LYS A 114 -12.237 -0.617 3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.644 -2.896 4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -13.355 -2.261 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -15.082 -1.056 4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -14.414 -1.853 3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -15.308 -3.620 5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -16.557 -2.790 4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -15.254 -3.662 2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -14.509 -4.786 3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -16.440 -5.739 2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -16.703 -5.575 3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -17.424 -4.485 2.884 1.00 0.00 H new ATOM 1496 N LYS A 115 -13.313 0.626 6.412 1.00 0.00 N ATOM 1497 CA LYS A 115 -14.093 1.681 7.037 1.00 0.00 C ATOM 1498 C LYS A 115 -13.483 3.066 6.824 1.00 0.00 C ATOM 1499 O LYS A 115 -14.203 4.050 6.992 1.00 0.00 O ATOM 1500 CB LYS A 115 -14.244 1.387 8.533 1.00 0.00 C ATOM 1501 CG LYS A 115 -15.667 1.644 9.065 1.00 0.00 C ATOM 1502 CD LYS A 115 -16.385 0.342 9.436 1.00 0.00 C ATOM 1503 CE LYS A 115 -16.711 -0.504 8.199 1.00 0.00 C ATOM 1504 NZ LYS A 115 -17.432 -1.737 8.564 1.00 0.00 N ATOM 0 H LYS A 115 -12.839 0.021 7.083 1.00 0.00 H new ATOM 0 HA LYS A 115 -15.073 1.695 6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.976 0.347 8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.539 2.003 9.090 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.615 2.292 9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -16.246 2.175 8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -15.760 -0.236 10.117 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -17.306 0.575 9.970 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -17.315 0.081 7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.788 -0.761 7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -17.637 -2.286 7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.844 -2.306 9.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -18.324 -1.490 9.038 1.00 0.00 H new ATOM 1518 N GLU A 116 -12.191 3.145 6.503 1.00 0.00 N ATOM 1519 CA GLU A 116 -11.514 4.401 6.179 1.00 0.00 C ATOM 1520 C GLU A 116 -11.739 4.782 4.713 1.00 0.00 C ATOM 1521 O GLU A 116 -12.277 5.848 4.425 1.00 0.00 O ATOM 1522 CB GLU A 116 -10.019 4.300 6.534 1.00 0.00 C ATOM 1523 CG GLU A 116 -9.845 4.049 8.042 1.00 0.00 C ATOM 1524 CD GLU A 116 -8.671 4.773 8.695 1.00 0.00 C ATOM 1525 OE1 GLU A 116 -7.525 4.591 8.230 1.00 0.00 O ATOM 1526 OE2 GLU A 116 -8.869 5.353 9.795 1.00 0.00 O ATOM 0 H GLU A 116 -11.579 2.330 6.460 1.00 0.00 H new ATOM 0 HA GLU A 116 -11.943 5.203 6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.558 3.491 5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.508 5.220 6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.762 4.347 8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.724 2.978 8.203 1.00 0.00 H new ATOM 1533 N PHE A 117 -11.367 3.914 3.770 1.00 0.00 N ATOM 1534 CA PHE A 117 -11.201 4.316 2.372 1.00 0.00 C ATOM 1535 C PHE A 117 -12.180 3.623 1.431 1.00 0.00 C ATOM 1536 O PHE A 117 -12.122 3.857 0.224 1.00 0.00 O ATOM 1537 CB PHE A 117 -9.747 4.093 1.945 1.00 0.00 C ATOM 1538 CG PHE A 117 -8.746 4.693 2.911 1.00 0.00 C ATOM 1539 CD1 PHE A 117 -8.709 6.089 3.110 1.00 0.00 C ATOM 1540 CD2 PHE A 117 -7.914 3.852 3.674 1.00 0.00 C ATOM 1541 CE1 PHE A 117 -7.839 6.641 4.067 1.00 0.00 C ATOM 1542 CE2 PHE A 117 -7.055 4.409 4.634 1.00 0.00 C ATOM 1543 CZ PHE A 117 -7.015 5.800 4.832 1.00 0.00 C ATOM 0 H PHE A 117 -11.175 2.928 3.949 1.00 0.00 H new ATOM 0 HA PHE A 117 -11.436 5.378 2.301 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.561 3.023 1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -9.594 4.526 0.957 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -9.349 6.734 2.527 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.937 2.783 3.521 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.805 7.710 4.213 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.421 3.765 5.224 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.351 6.222 5.572 1.00 0.00 H new ATOM 1553 N TYR A 118 -13.071 2.767 1.950 1.00 0.00 N ATOM 1554 CA TYR A 118 -13.969 1.954 1.137 1.00 0.00 C ATOM 1555 C TYR A 118 -15.393 1.881 1.692 1.00 0.00 C ATOM 1556 O TYR A 118 -16.122 0.927 1.405 1.00 0.00 O ATOM 1557 CB TYR A 118 -13.337 0.585 0.851 1.00 0.00 C ATOM 1558 CG TYR A 118 -13.639 0.060 -0.544 1.00 0.00 C ATOM 1559 CD1 TYR A 118 -13.000 0.618 -1.673 1.00 0.00 C ATOM 1560 CD2 TYR A 118 -14.539 -1.004 -0.717 1.00 0.00 C ATOM 1561 CE1 TYR A 118 -13.187 0.061 -2.959 1.00 0.00 C ATOM 1562 CE2 TYR A 118 -14.751 -1.542 -1.998 1.00 0.00 C ATOM 1563 CZ TYR A 118 -14.050 -1.048 -3.119 1.00 0.00 C ATOM 1564 OH TYR A 118 -14.268 -1.641 -4.325 1.00 0.00 O ATOM 0 H TYR A 118 -13.185 2.623 2.953 1.00 0.00 H new ATOM 0 HA TYR A 118 -14.095 2.454 0.177 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.257 0.658 0.978 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.696 -0.134 1.587 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -12.361 1.480 -1.553 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -15.068 -1.408 0.133 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -12.675 0.479 -3.813 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -15.461 -2.346 -2.127 1.00 0.00 H new ATOM 0 HH TYR A 118 -13.410 -1.797 -4.773 1.00 0.00 H new ATOM 1574 N GLN A 119 -15.825 2.900 2.438 1.00 0.00 N ATOM 1575 CA GLN A 119 -17.199 2.972 2.917 1.00 0.00 C ATOM 1576 C GLN A 119 -18.208 3.469 1.876 1.00 0.00 C ATOM 1577 O GLN A 119 -19.387 3.136 1.986 1.00 0.00 O ATOM 1578 CB GLN A 119 -17.271 3.819 4.187 1.00 0.00 C ATOM 1579 CG GLN A 119 -17.049 5.336 4.056 1.00 0.00 C ATOM 1580 CD GLN A 119 -15.593 5.751 4.219 1.00 0.00 C ATOM 1581 OE1 GLN A 119 -15.180 6.098 5.315 1.00 0.00 O ATOM 1582 NE2 GLN A 119 -14.783 5.765 3.172 1.00 0.00 N ATOM 0 H GLN A 119 -15.239 3.685 2.721 1.00 0.00 H new ATOM 0 HA GLN A 119 -17.493 1.946 3.136 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -18.251 3.662 4.638 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -16.532 3.433 4.889 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -17.406 5.665 3.080 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -17.651 5.850 4.805 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -15.128 5.475 2.257 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -13.814 6.065 3.281 1.00 0.00 H new ATOM 1591 N THR A 120 -17.790 4.274 0.897 1.00 0.00 N ATOM 1592 CA THR A 120 -18.713 4.996 0.020 1.00 0.00 C ATOM 1593 C THR A 120 -19.255 4.072 -1.093 1.00 0.00 C ATOM 1594 O THR A 120 -19.160 2.839 -0.993 1.00 0.00 O ATOM 1595 CB THR A 120 -18.070 6.328 -0.427 1.00 0.00 C ATOM 1596 OG1 THR A 120 -16.915 6.098 -1.182 1.00 0.00 O ATOM 1597 CG2 THR A 120 -17.610 7.181 0.762 1.00 0.00 C ATOM 0 H THR A 120 -16.806 4.443 0.691 1.00 0.00 H new ATOM 0 HA THR A 120 -19.616 5.294 0.553 1.00 0.00 H new ATOM 0 HB THR A 120 -18.843 6.841 -0.999 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.527 6.955 -1.455 1.00 0.00 H new ATOM 0 HG21 THR A 120 -17.165 8.106 0.396 1.00 0.00 H new ATOM 0 HG22 THR A 120 -18.466 7.416 1.394 1.00 0.00 H new ATOM 0 HG23 THR A 120 -16.871 6.628 1.342 1.00 0.00 H new ATOM 1605 N ARG A 121 -19.868 4.651 -2.135 1.00 0.00 N ATOM 1606 CA ARG A 121 -20.297 3.940 -3.349 1.00 0.00 C ATOM 1607 C ARG A 121 -19.523 4.407 -4.584 1.00 0.00 C ATOM 1608 O ARG A 121 -19.285 3.607 -5.487 1.00 0.00 O ATOM 1609 CB ARG A 121 -21.824 4.083 -3.520 1.00 0.00 C ATOM 1610 CG ARG A 121 -22.331 3.610 -4.893 1.00 0.00 C ATOM 1611 CD ARG A 121 -23.855 3.433 -4.967 1.00 0.00 C ATOM 1612 NE ARG A 121 -24.277 2.075 -4.564 1.00 0.00 N ATOM 1613 CZ ARG A 121 -24.208 0.974 -5.329 1.00 0.00 C ATOM 1614 NH1 ARG A 121 -23.788 1.042 -6.587 1.00 0.00 N ATOM 1615 NH2 ARG A 121 -24.531 -0.213 -4.827 1.00 0.00 N ATOM 0 H ARG A 121 -20.084 5.648 -2.158 1.00 0.00 H new ATOM 0 HA ARG A 121 -20.066 2.881 -3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.325 3.511 -2.739 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -22.102 5.127 -3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -22.021 4.329 -5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -21.853 2.662 -5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -24.337 4.168 -4.322 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -24.194 3.631 -5.984 1.00 0.00 H new ATOM 0 HE ARG A 121 -24.654 1.965 -3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -23.512 1.940 -6.985 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -23.741 0.196 -7.155 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -24.833 -0.291 -3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -24.477 -1.046 -5.413 1.00 0.00 H new ATOM 1629 N SER A 122 -19.154 5.680 -4.626 1.00 0.00 N ATOM 1630 CA SER A 122 -18.329 6.302 -5.644 1.00 0.00 C ATOM 1631 C SER A 122 -16.942 5.675 -5.676 1.00 0.00 C ATOM 1632 O SER A 122 -16.492 5.281 -6.744 1.00 0.00 O ATOM 1633 CB SER A 122 -18.272 7.799 -5.303 1.00 0.00 C ATOM 1634 OG SER A 122 -18.231 8.023 -3.895 1.00 0.00 O ATOM 0 H SER A 122 -19.442 6.343 -3.906 1.00 0.00 H new ATOM 0 HA SER A 122 -18.747 6.155 -6.640 1.00 0.00 H new ATOM 0 HB2 SER A 122 -17.392 8.244 -5.767 1.00 0.00 H new ATOM 0 HB3 SER A 122 -19.143 8.301 -5.725 1.00 0.00 H new ATOM 0 HG SER A 122 -18.194 8.986 -3.718 1.00 0.00 H new ATOM 1640 N GLN A 123 -16.284 5.514 -4.526 1.00 0.00 N ATOM 1641 CA GLN A 123 -14.887 5.077 -4.461 1.00 0.00 C ATOM 1642 C GLN A 123 -14.639 3.722 -5.131 1.00 0.00 C ATOM 1643 O GLN A 123 -13.523 3.437 -5.543 1.00 0.00 O ATOM 1644 CB GLN A 123 -14.411 5.037 -3.000 1.00 0.00 C ATOM 1645 CG GLN A 123 -14.587 3.700 -2.252 1.00 0.00 C ATOM 1646 CD GLN A 123 -16.023 3.184 -2.096 1.00 0.00 C ATOM 1647 OE1 GLN A 123 -16.959 3.578 -2.776 1.00 0.00 O ATOM 1648 NE2 GLN A 123 -16.264 2.235 -1.216 1.00 0.00 N ATOM 0 H GLN A 123 -16.705 5.683 -3.612 1.00 0.00 H new ATOM 0 HA GLN A 123 -14.309 5.811 -5.023 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -13.354 5.302 -2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -14.945 5.810 -2.447 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -14.006 2.939 -2.773 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -14.153 3.806 -1.258 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -15.509 1.879 -0.630 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -17.206 1.855 -1.121 1.00 0.00 H new ATOM 1657 N LYS A 124 -15.658 2.864 -5.216 1.00 0.00 N ATOM 1658 CA LYS A 124 -15.611 1.568 -5.897 1.00 0.00 C ATOM 1659 C LYS A 124 -15.412 1.700 -7.409 1.00 0.00 C ATOM 1660 O LYS A 124 -15.340 0.684 -8.101 1.00 0.00 O ATOM 1661 CB LYS A 124 -16.903 0.802 -5.594 1.00 0.00 C ATOM 1662 CG LYS A 124 -16.927 0.234 -4.169 1.00 0.00 C ATOM 1663 CD LYS A 124 -18.291 0.426 -3.513 1.00 0.00 C ATOM 1664 CE LYS A 124 -18.399 -0.316 -2.177 1.00 0.00 C ATOM 1665 NZ LYS A 124 -18.437 -1.783 -2.371 1.00 0.00 N ATOM 0 H LYS A 124 -16.568 3.058 -4.799 1.00 0.00 H new ATOM 0 HA LYS A 124 -14.747 1.022 -5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -17.756 1.466 -5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -17.015 -0.013 -6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -16.681 -0.828 -4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -16.161 0.724 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -18.468 1.489 -3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -19.070 0.072 -4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -17.551 -0.054 -1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -19.299 0.006 -1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -18.712 -2.244 -1.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -19.129 -2.018 -3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -17.496 -2.120 -2.659 1.00 0.00 H new ATOM 1679 N ARG A 125 -15.397 2.920 -7.936 1.00 0.00 N ATOM 1680 CA ARG A 125 -14.711 3.245 -9.165 1.00 0.00 C ATOM 1681 C ARG A 125 -13.248 3.404 -8.777 1.00 0.00 C ATOM 1682 O ARG A 125 -12.488 2.453 -8.864 1.00 0.00 O ATOM 1683 CB ARG A 125 -15.311 4.525 -9.772 1.00 0.00 C ATOM 1684 CG ARG A 125 -16.566 4.310 -10.614 1.00 0.00 C ATOM 1685 CD ARG A 125 -17.719 3.589 -9.904 1.00 0.00 C ATOM 1686 NE ARG A 125 -18.839 3.363 -10.832 1.00 0.00 N ATOM 1687 CZ ARG A 125 -19.224 2.194 -11.360 1.00 0.00 C ATOM 1688 NH1 ARG A 125 -18.684 1.047 -10.948 1.00 0.00 N ATOM 1689 NH2 ARG A 125 -20.162 2.193 -12.298 1.00 0.00 N ATOM 0 H ARG A 125 -15.870 3.717 -7.509 1.00 0.00 H new ATOM 0 HA ARG A 125 -14.815 2.478 -9.932 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -15.548 5.217 -8.964 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -14.554 5.006 -10.391 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -16.923 5.281 -10.957 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -16.294 3.739 -11.501 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -17.370 2.635 -9.508 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -18.058 4.182 -9.054 1.00 0.00 H new ATOM 0 HE ARG A 125 -19.380 4.185 -11.102 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -17.968 1.052 -10.222 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -18.987 0.164 -11.359 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -20.577 3.073 -12.605 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -20.468 1.313 -12.712 1.00 0.00 H new ATOM 1703 N GLU A 126 -12.863 4.580 -8.291 1.00 0.00 N ATOM 1704 CA GLU A 126 -11.480 5.040 -8.260 1.00 0.00 C ATOM 1705 C GLU A 126 -10.531 4.073 -7.553 1.00 0.00 C ATOM 1706 O GLU A 126 -9.542 3.624 -8.113 1.00 0.00 O ATOM 1707 CB GLU A 126 -11.434 6.400 -7.555 1.00 0.00 C ATOM 1708 CG GLU A 126 -11.896 7.533 -8.467 1.00 0.00 C ATOM 1709 CD GLU A 126 -13.381 7.483 -8.850 1.00 0.00 C ATOM 1710 OE1 GLU A 126 -14.214 7.187 -7.966 1.00 0.00 O ATOM 1711 OE2 GLU A 126 -13.724 7.715 -10.037 1.00 0.00 O ATOM 0 H GLU A 126 -13.520 5.255 -7.899 1.00 0.00 H new ATOM 0 HA GLU A 126 -11.139 5.110 -9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -12.065 6.369 -6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -10.417 6.599 -7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -11.694 8.484 -7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.299 7.514 -9.379 1.00 0.00 H new ATOM 1718 N VAL A 127 -10.832 3.749 -6.305 1.00 0.00 N ATOM 1719 CA VAL A 127 -9.990 2.917 -5.448 1.00 0.00 C ATOM 1720 C VAL A 127 -9.842 1.491 -6.015 1.00 0.00 C ATOM 1721 O VAL A 127 -8.920 0.771 -5.639 1.00 0.00 O ATOM 1722 CB VAL A 127 -10.614 2.884 -4.038 1.00 0.00 C ATOM 1723 CG1 VAL A 127 -9.817 2.072 -3.012 1.00 0.00 C ATOM 1724 CG2 VAL A 127 -10.744 4.287 -3.432 1.00 0.00 C ATOM 0 H VAL A 127 -11.687 4.063 -5.846 1.00 0.00 H new ATOM 0 HA VAL A 127 -8.988 3.344 -5.403 1.00 0.00 H new ATOM 0 HB VAL A 127 -11.583 2.416 -4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -10.327 2.102 -2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -9.738 1.038 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -8.819 2.497 -2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -11.188 4.215 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -9.757 4.743 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -11.379 4.901 -4.070 1.00 0.00 H new ATOM 1734 N ASP A 128 -10.767 1.052 -6.868 1.00 0.00 N ATOM 1735 CA ASP A 128 -10.768 -0.241 -7.553 1.00 0.00 C ATOM 1736 C ASP A 128 -10.002 -0.131 -8.880 1.00 0.00 C ATOM 1737 O ASP A 128 -9.191 -1.000 -9.204 1.00 0.00 O ATOM 1738 CB ASP A 128 -12.237 -0.643 -7.759 1.00 0.00 C ATOM 1739 CG ASP A 128 -12.476 -2.145 -7.656 1.00 0.00 C ATOM 1740 OD1 ASP A 128 -12.331 -2.871 -8.664 1.00 0.00 O ATOM 1741 OD2 ASP A 128 -12.913 -2.588 -6.561 1.00 0.00 O ATOM 0 H ASP A 128 -11.579 1.619 -7.113 1.00 0.00 H new ATOM 0 HA ASP A 128 -10.263 -1.009 -6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -12.852 -0.133 -7.018 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -12.566 -0.297 -8.739 1.00 0.00 H new ATOM 1746 N ASP A 129 -10.176 0.991 -9.586 1.00 0.00 N ATOM 1747 CA ASP A 129 -9.480 1.375 -10.813 1.00 0.00 C ATOM 1748 C ASP A 129 -7.976 1.455 -10.576 1.00 0.00 C ATOM 1749 O ASP A 129 -7.194 1.054 -11.438 1.00 0.00 O ATOM 1750 CB ASP A 129 -9.932 2.765 -11.298 1.00 0.00 C ATOM 1751 CG ASP A 129 -11.195 2.829 -12.145 1.00 0.00 C ATOM 1752 OD1 ASP A 129 -12.030 1.904 -12.116 1.00 0.00 O ATOM 1753 OD2 ASP A 129 -11.307 3.836 -12.885 1.00 0.00 O ATOM 0 H ASP A 129 -10.850 1.699 -9.295 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.718 0.616 -11.558 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.080 3.397 -10.422 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.117 3.204 -11.873 1.00 0.00 H new ATOM 1758 N TYR A 130 -7.559 1.985 -9.424 1.00 0.00 N ATOM 1759 CA TYR A 130 -6.161 2.124 -9.017 1.00 0.00 C ATOM 1760 C TYR A 130 -5.483 0.762 -8.938 1.00 0.00 C ATOM 1761 O TYR A 130 -4.315 0.624 -9.303 1.00 0.00 O ATOM 1762 CB TYR A 130 -6.097 2.876 -7.684 1.00 0.00 C ATOM 1763 CG TYR A 130 -6.646 4.300 -7.688 1.00 0.00 C ATOM 1764 CD1 TYR A 130 -6.923 4.993 -8.888 1.00 0.00 C ATOM 1765 CD2 TYR A 130 -6.933 4.924 -6.460 1.00 0.00 C ATOM 1766 CE1 TYR A 130 -7.423 6.301 -8.865 1.00 0.00 C ATOM 1767 CE2 TYR A 130 -7.488 6.213 -6.425 1.00 0.00 C ATOM 1768 CZ TYR A 130 -7.704 6.921 -7.631 1.00 0.00 C ATOM 1769 OH TYR A 130 -8.177 8.195 -7.619 1.00 0.00 O ATOM 0 H TYR A 130 -8.210 2.342 -8.724 1.00 0.00 H new ATOM 0 HA TYR A 130 -5.617 2.702 -9.764 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -6.645 2.300 -6.939 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -5.057 2.910 -7.359 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -6.747 4.507 -9.836 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -6.724 4.406 -5.535 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -7.593 6.833 -9.790 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -7.750 6.664 -5.479 1.00 0.00 H new ATOM 0 HH TYR A 130 -8.974 8.243 -7.051 1.00 0.00 H new ATOM 1779 N VAL A 131 -6.225 -0.280 -8.563 1.00 0.00 N ATOM 1780 CA VAL A 131 -5.711 -1.648 -8.532 1.00 0.00 C ATOM 1781 C VAL A 131 -5.444 -2.166 -9.964 1.00 0.00 C ATOM 1782 O VAL A 131 -4.740 -3.157 -10.128 1.00 0.00 O ATOM 1783 CB VAL A 131 -6.686 -2.548 -7.747 1.00 0.00 C ATOM 1784 CG1 VAL A 131 -6.102 -3.945 -7.544 1.00 0.00 C ATOM 1785 CG2 VAL A 131 -7.039 -1.995 -6.358 1.00 0.00 C ATOM 0 H VAL A 131 -7.199 -0.199 -8.272 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.752 -1.668 -8.014 1.00 0.00 H new ATOM 0 HB VAL A 131 -7.590 -2.582 -8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -6.811 -4.558 -6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.909 -4.403 -8.514 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -5.169 -3.872 -6.985 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.728 -2.676 -5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.131 -1.898 -5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -7.509 -1.017 -6.464 1.00 0.00 H new ATOM 1795 N ALA A 132 -5.946 -1.492 -11.004 1.00 0.00 N ATOM 1796 CA ALA A 132 -5.649 -1.762 -12.404 1.00 0.00 C ATOM 1797 C ALA A 132 -4.920 -0.565 -13.060 1.00 0.00 C ATOM 1798 O ALA A 132 -4.966 -0.374 -14.283 1.00 0.00 O ATOM 1799 CB ALA A 132 -6.952 -2.123 -13.132 1.00 0.00 C ATOM 0 H ALA A 132 -6.595 -0.714 -10.883 1.00 0.00 H new ATOM 0 HA ALA A 132 -4.968 -2.610 -12.478 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -6.738 -2.327 -14.181 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -7.392 -3.008 -12.673 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -7.652 -1.291 -13.059 1.00 0.00 H new ATOM 1805 N GLY A 133 -4.350 0.340 -12.256 1.00 0.00 N ATOM 1806 CA GLY A 133 -3.589 1.519 -12.681 1.00 0.00 C ATOM 1807 C GLY A 133 -2.171 1.520 -12.101 1.00 0.00 C ATOM 1808 O GLY A 133 -1.327 2.327 -12.494 1.00 0.00 O ATOM 0 H GLY A 133 -4.410 0.265 -11.241 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -3.537 1.545 -13.769 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -4.111 2.422 -12.365 1.00 0.00 H new ATOM 1812 N LEU A 134 -1.904 0.617 -11.154 1.00 0.00 N ATOM 1813 CA LEU A 134 -0.571 0.143 -10.824 1.00 0.00 C ATOM 1814 C LEU A 134 -0.087 -0.786 -11.934 1.00 0.00 C ATOM 1815 O LEU A 134 -0.866 -1.259 -12.759 1.00 0.00 O ATOM 1816 CB LEU A 134 -0.578 -0.548 -9.442 1.00 0.00 C ATOM 1817 CG LEU A 134 -1.580 -1.718 -9.267 1.00 0.00 C ATOM 1818 CD1 LEU A 134 -1.083 -3.067 -9.805 1.00 0.00 C ATOM 1819 CD2 LEU A 134 -1.904 -1.882 -7.777 1.00 0.00 C ATOM 0 H LEU A 134 -2.633 0.188 -10.584 1.00 0.00 H new ATOM 0 HA LEU A 134 0.123 0.980 -10.755 1.00 0.00 H new ATOM 0 HB2 LEU A 134 0.425 -0.923 -9.242 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -0.794 0.205 -8.684 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.458 -1.451 -9.855 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -1.846 -3.828 -9.641 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -0.880 -2.981 -10.872 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -0.169 -3.352 -9.284 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -2.608 -2.703 -7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -0.988 -2.098 -7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -2.346 -0.961 -7.397 1.00 0.00 H new ATOM 1831 N ARG A 135 1.207 -1.070 -11.936 1.00 0.00 N ATOM 1832 CA ARG A 135 1.900 -2.039 -12.776 1.00 0.00 C ATOM 1833 C ARG A 135 2.350 -3.175 -11.868 1.00 0.00 C ATOM 1834 O ARG A 135 2.494 -2.969 -10.664 1.00 0.00 O ATOM 1835 CB ARG A 135 3.123 -1.342 -13.396 1.00 0.00 C ATOM 1836 CG ARG A 135 2.758 -0.198 -14.356 1.00 0.00 C ATOM 1837 CD ARG A 135 4.021 0.573 -14.764 1.00 0.00 C ATOM 1838 NE ARG A 135 4.183 0.682 -16.224 1.00 0.00 N ATOM 1839 CZ ARG A 135 4.527 -0.305 -17.062 1.00 0.00 C ATOM 1840 NH1 ARG A 135 4.688 -1.546 -16.620 1.00 0.00 N ATOM 1841 NH2 ARG A 135 4.724 -0.064 -18.354 1.00 0.00 N ATOM 0 H ARG A 135 1.849 -0.594 -11.303 1.00 0.00 H new ATOM 0 HA ARG A 135 1.263 -2.424 -13.573 1.00 0.00 H new ATOM 0 HB2 ARG A 135 3.750 -0.948 -12.596 1.00 0.00 H new ATOM 0 HB3 ARG A 135 3.718 -2.080 -13.933 1.00 0.00 H new ATOM 0 HG2 ARG A 135 2.266 -0.600 -15.242 1.00 0.00 H new ATOM 0 HG3 ARG A 135 2.050 0.477 -13.876 1.00 0.00 H new ATOM 0 HD2 ARG A 135 3.985 1.573 -14.332 1.00 0.00 H new ATOM 0 HD3 ARG A 135 4.895 0.076 -14.343 1.00 0.00 H new ATOM 0 HE ARG A 135 4.017 1.599 -16.638 1.00 0.00 H new ATOM 0 HH11 ARG A 135 4.550 -1.757 -15.632 1.00 0.00 H new ATOM 0 HH12 ARG A 135 4.950 -2.288 -17.269 1.00 0.00 H new ATOM 0 HH21 ARG A 135 4.614 0.882 -18.719 1.00 0.00 H new ATOM 0 HH22 ARG A 135 4.986 -0.825 -18.981 1.00 0.00 H new ATOM 1855 N THR A 136 2.683 -4.327 -12.436 1.00 0.00 N ATOM 1856 CA THR A 136 3.198 -5.470 -11.677 1.00 0.00 C ATOM 1857 C THR A 136 4.451 -6.046 -12.360 1.00 0.00 C ATOM 1858 O THR A 136 4.860 -7.177 -12.086 1.00 0.00 O ATOM 1859 CB THR A 136 2.072 -6.497 -11.457 1.00 0.00 C ATOM 1860 OG1 THR A 136 0.871 -5.868 -11.042 1.00 0.00 O ATOM 1861 CG2 THR A 136 2.447 -7.531 -10.388 1.00 0.00 C ATOM 0 H THR A 136 2.605 -4.500 -13.438 1.00 0.00 H new ATOM 0 HA THR A 136 3.523 -5.154 -10.686 1.00 0.00 H new ATOM 0 HB THR A 136 1.926 -6.992 -12.417 1.00 0.00 H new ATOM 0 HG1 THR A 136 0.175 -6.545 -10.912 1.00 0.00 H new ATOM 0 HG21 THR A 136 1.627 -8.238 -10.262 1.00 0.00 H new ATOM 0 HG22 THR A 136 3.344 -8.067 -10.699 1.00 0.00 H new ATOM 0 HG23 THR A 136 2.637 -7.024 -9.442 1.00 0.00 H new ATOM 1869 N GLU A 137 5.071 -5.268 -13.247 1.00 0.00 N ATOM 1870 CA GLU A 137 6.140 -5.612 -14.166 1.00 0.00 C ATOM 1871 C GLU A 137 5.542 -6.438 -15.304 1.00 0.00 C ATOM 1872 O GLU A 137 5.088 -5.778 -16.264 1.00 0.00 O ATOM 1873 CB GLU A 137 7.340 -6.276 -13.445 1.00 0.00 C ATOM 1874 CG GLU A 137 8.609 -6.155 -14.288 1.00 0.00 C ATOM 1875 CD GLU A 137 9.797 -6.877 -13.645 1.00 0.00 C ATOM 1876 OE1 GLU A 137 10.342 -6.384 -12.630 1.00 0.00 O ATOM 1877 OE2 GLU A 137 10.238 -7.916 -14.201 1.00 0.00 O ATOM 0 H GLU A 137 4.807 -4.288 -13.344 1.00 0.00 H new ATOM 0 HA GLU A 137 6.575 -4.712 -14.601 1.00 0.00 H new ATOM 0 HB2 GLU A 137 7.495 -5.803 -12.475 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.121 -7.327 -13.256 1.00 0.00 H new ATOM 0 HG2 GLU A 137 8.426 -6.570 -15.279 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.855 -5.102 -14.423 1.00 0.00 H new TER 1884 GLU A 137