USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 0 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 61 LYS NZ :NH3+ 154:sc= -0.128 (180deg=-1.02) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 90:sc= 0.257 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 148:sc= 0.0862 (180deg=-1.1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 150:sc= -0.0342 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 49 LYS NZ :NH3+ -152:sc= -0.021 (180deg=-0.673) USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.202) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -150:sc= -0.0446 (180deg=-1.03) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc=-0.00627 USER MOD Single : A 60 TYR OH : rot -62:sc= 0.905 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 67 THR OG1 : rot 42:sc= 0.695 USER MOD Single : A 69 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.31) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0352 X(o=-0.035,f=-0.19) USER MOD Single : A 81 TYR OH : rot -100:sc= 0.223 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 119:sc= 0.00179 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -141:sc= 0.94 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.541) USER MOD Single : A 92 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.18) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.0518 X(o=-0.052,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 34 N ASN A 5 12.659 2.942 -11.021 1.00 0.00 N ATOM 35 CA ASN A 5 12.674 3.575 -9.666 1.00 0.00 C ATOM 36 C ASN A 5 11.780 2.789 -8.664 1.00 0.00 C ATOM 37 O ASN A 5 10.841 3.308 -8.052 1.00 0.00 O ATOM 38 CB ASN A 5 12.281 5.055 -9.868 1.00 0.00 C ATOM 39 CG ASN A 5 12.374 5.986 -8.642 1.00 0.00 C ATOM 40 OD1 ASN A 5 11.367 6.482 -8.137 1.00 0.00 O ATOM 41 ND2 ASN A 5 13.577 6.245 -8.153 1.00 0.00 N ATOM 0 HA ASN A 5 13.661 3.540 -9.204 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.914 5.468 -10.654 1.00 0.00 H new ATOM 0 HB3 ASN A 5 11.256 5.084 -10.237 1.00 0.00 H new ATOM 0 HD21 ASN A 5 13.678 6.863 -7.348 1.00 0.00 H new ATOM 0 HD22 ASN A 5 14.403 5.827 -8.582 1.00 0.00 H new ATOM 42 N ALA A 6 12.142 1.509 -8.533 1.00 0.00 N ATOM 43 CA ALA A 6 11.310 0.487 -7.852 1.00 0.00 C ATOM 44 C ALA A 6 12.040 -0.232 -6.690 1.00 0.00 C ATOM 45 O ALA A 6 13.264 -0.402 -6.699 1.00 0.00 O ATOM 46 CB ALA A 6 10.817 -0.535 -8.895 1.00 0.00 C ATOM 0 H ALA A 6 13.022 1.142 -8.895 1.00 0.00 H new ATOM 0 HA ALA A 6 10.467 1.006 -7.395 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.204 -1.290 -8.403 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.224 -0.024 -9.653 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.674 -1.015 -9.368 1.00 0.00 H new ATOM 47 N LEU A 7 11.235 -0.687 -5.709 1.00 0.00 N ATOM 48 CA LEU A 7 11.713 -1.548 -4.600 1.00 0.00 C ATOM 49 C LEU A 7 11.267 -2.997 -4.899 1.00 0.00 C ATOM 50 O LEU A 7 10.075 -3.305 -5.017 1.00 0.00 O ATOM 51 CB LEU A 7 11.198 -1.114 -3.198 1.00 0.00 C ATOM 52 CG LEU A 7 11.513 0.334 -2.748 1.00 0.00 C ATOM 53 CD1 LEU A 7 10.972 0.610 -1.330 1.00 0.00 C ATOM 54 CD2 LEU A 7 13.003 0.731 -2.809 1.00 0.00 C ATOM 0 H LEU A 7 10.239 -0.471 -5.660 1.00 0.00 H new ATOM 0 HA LEU A 7 12.798 -1.458 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.116 -1.246 -3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.616 -1.797 -2.458 1.00 0.00 H new ATOM 0 HG LEU A 7 11.000 0.956 -3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 7 11.209 1.634 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.891 0.471 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.433 -0.080 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.119 1.762 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.582 0.072 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.362 0.640 -3.834 1.00 0.00 H new ATOM 55 N GLU A 8 12.270 -3.880 -4.954 1.00 0.00 N ATOM 56 CA GLU A 8 12.049 -5.354 -4.947 1.00 0.00 C ATOM 57 C GLU A 8 11.692 -5.801 -3.502 1.00 0.00 C ATOM 58 O GLU A 8 12.458 -5.620 -2.550 1.00 0.00 O ATOM 59 CB GLU A 8 13.264 -6.153 -5.483 1.00 0.00 C ATOM 60 CG GLU A 8 13.560 -6.035 -6.996 1.00 0.00 C ATOM 61 CD GLU A 8 12.532 -6.729 -7.896 1.00 0.00 C ATOM 62 OE1 GLU A 8 11.533 -6.083 -8.283 1.00 0.00 O ATOM 63 OE2 GLU A 8 12.719 -7.922 -8.223 1.00 0.00 O ATOM 0 H GLU A 8 13.252 -3.610 -5.004 1.00 0.00 H new ATOM 0 HA GLU A 8 11.225 -5.572 -5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.151 -5.831 -4.937 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.109 -7.206 -5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.606 -4.979 -7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.545 -6.458 -7.196 1.00 0.00 H new ATOM 64 N THR A 9 10.464 -6.312 -3.381 1.00 0.00 N ATOM 65 CA THR A 9 9.706 -6.348 -2.104 1.00 0.00 C ATOM 66 C THR A 9 9.187 -7.809 -1.972 1.00 0.00 C ATOM 67 O THR A 9 8.291 -8.242 -2.698 1.00 0.00 O ATOM 68 CB THR A 9 8.650 -5.198 -2.175 1.00 0.00 C ATOM 69 OG1 THR A 9 9.310 -3.939 -2.085 1.00 0.00 O ATOM 70 CG2 THR A 9 7.552 -5.206 -1.116 1.00 0.00 C ATOM 0 H THR A 9 9.954 -6.718 -4.166 1.00 0.00 H new ATOM 0 HA THR A 9 10.263 -6.148 -1.188 1.00 0.00 H new ATOM 0 HB THR A 9 8.152 -5.368 -3.129 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.552 -3.631 -2.984 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.886 -4.358 -1.276 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.983 -6.133 -1.189 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.001 -5.133 -0.126 1.00 0.00 H new ATOM 71 N TRP A 10 9.831 -8.587 -1.087 1.00 0.00 N ATOM 72 CA TRP A 10 9.930 -10.071 -1.230 1.00 0.00 C ATOM 73 C TRP A 10 8.997 -10.860 -0.270 1.00 0.00 C ATOM 74 O TRP A 10 8.760 -10.434 0.865 1.00 0.00 O ATOM 75 CB TRP A 10 11.403 -10.496 -0.960 1.00 0.00 C ATOM 76 CG TRP A 10 12.386 -10.155 -2.085 1.00 0.00 C ATOM 77 CD1 TRP A 10 13.311 -9.090 -2.097 1.00 0.00 C ATOM 78 CD2 TRP A 10 12.552 -10.810 -3.293 1.00 0.00 C ATOM 79 NE1 TRP A 10 14.050 -9.060 -3.293 1.00 0.00 N ATOM 80 CE2 TRP A 10 13.564 -10.136 -4.018 1.00 0.00 C ATOM 81 CE3 TRP A 10 11.910 -11.952 -3.843 1.00 0.00 C ATOM 82 CZ2 TRP A 10 13.941 -10.595 -5.302 1.00 0.00 C ATOM 83 CZ3 TRP A 10 12.311 -12.394 -5.105 1.00 0.00 C ATOM 84 CH2 TRP A 10 13.305 -11.723 -5.825 1.00 0.00 C ATOM 0 H TRP A 10 10.297 -8.222 -0.256 1.00 0.00 H new ATOM 0 HA TRP A 10 9.611 -10.314 -2.243 1.00 0.00 H new ATOM 0 HB2 TRP A 10 11.742 -10.016 -0.042 1.00 0.00 H new ATOM 0 HB3 TRP A 10 11.430 -11.572 -0.786 1.00 0.00 H new ATOM 0 HD1 TRP A 10 13.436 -8.385 -1.288 1.00 0.00 H new ATOM 0 HE1 TRP A 10 14.777 -8.398 -3.564 1.00 0.00 H new ATOM 0 HE3 TRP A 10 11.131 -12.465 -3.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 14.706 -10.083 -5.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 11.846 -13.270 -5.533 1.00 0.00 H new ATOM 0 HH2 TRP A 10 13.586 -12.084 -6.803 1.00 0.00 H new ATOM 85 N GLY A 11 8.550 -12.053 -0.716 1.00 0.00 N ATOM 86 CA GLY A 11 7.793 -12.988 0.145 1.00 0.00 C ATOM 87 C GLY A 11 7.549 -14.365 -0.500 1.00 0.00 C ATOM 88 O GLY A 11 6.954 -14.442 -1.574 1.00 0.00 O ATOM 0 H GLY A 11 8.700 -12.392 -1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.335 -13.126 1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.832 -12.539 0.396 1.00 0.00 H new ATOM 89 N ALA A 12 7.924 -15.453 0.197 1.00 0.00 N ATOM 90 CA ALA A 12 7.617 -16.851 -0.233 1.00 0.00 C ATOM 91 C ALA A 12 6.100 -17.213 -0.161 1.00 0.00 C ATOM 92 O ALA A 12 5.332 -16.507 0.501 1.00 0.00 O ATOM 93 CB ALA A 12 8.434 -17.789 0.681 1.00 0.00 C ATOM 0 H ALA A 12 8.446 -15.401 1.072 1.00 0.00 H new ATOM 0 HA ALA A 12 7.886 -16.960 -1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.242 -18.825 0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.496 -17.574 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.142 -17.631 1.719 1.00 0.00 H new ATOM 94 N LEU A 13 5.662 -18.313 -0.826 1.00 0.00 N ATOM 95 CA LEU A 13 4.207 -18.654 -0.953 1.00 0.00 C ATOM 96 C LEU A 13 3.483 -18.767 0.432 1.00 0.00 C ATOM 97 O LEU A 13 3.963 -19.456 1.340 1.00 0.00 O ATOM 98 CB LEU A 13 3.908 -19.983 -1.726 1.00 0.00 C ATOM 99 CG LEU A 13 3.850 -19.918 -3.275 1.00 0.00 C ATOM 100 CD1 LEU A 13 5.227 -19.707 -3.891 1.00 0.00 C ATOM 101 CD2 LEU A 13 3.194 -21.153 -3.920 1.00 0.00 C ATOM 0 H LEU A 13 6.285 -18.979 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 13 3.822 -17.813 -1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.670 -20.711 -1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.953 -20.370 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 13 3.219 -19.055 -3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.138 -19.668 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.648 -18.770 -3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.882 -20.532 -3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.188 -21.038 -5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.759 -22.046 -3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.170 -21.251 -3.560 1.00 0.00 H new ATOM 102 N GLY A 14 2.331 -18.090 0.566 1.00 0.00 N ATOM 103 CA GLY A 14 1.503 -18.154 1.795 1.00 0.00 C ATOM 104 C GLY A 14 2.000 -17.299 2.972 1.00 0.00 C ATOM 105 O GLY A 14 2.355 -17.876 4.004 1.00 0.00 O ATOM 0 H GLY A 14 1.945 -17.488 -0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.489 -17.843 1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.447 -19.193 2.121 1.00 0.00 H new ATOM 106 N GLN A 15 2.012 -15.952 2.838 1.00 0.00 N ATOM 107 CA GLN A 15 2.458 -15.062 3.959 1.00 0.00 C ATOM 108 C GLN A 15 1.836 -13.629 3.936 1.00 0.00 C ATOM 109 O GLN A 15 1.301 -13.156 2.930 1.00 0.00 O ATOM 110 CB GLN A 15 4.012 -15.084 4.132 1.00 0.00 C ATOM 111 CG GLN A 15 4.864 -14.307 3.112 1.00 0.00 C ATOM 112 CD GLN A 15 6.365 -14.562 3.333 1.00 0.00 C ATOM 113 OE1 GLN A 15 6.857 -15.671 3.131 1.00 0.00 O ATOM 114 NE2 GLN A 15 7.119 -13.569 3.776 1.00 0.00 N ATOM 0 H GLN A 15 1.728 -15.458 1.992 1.00 0.00 H new ATOM 0 HA GLN A 15 2.042 -15.494 4.869 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.243 -14.696 5.124 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.335 -16.125 4.113 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.587 -14.605 2.101 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.657 -13.240 3.198 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.707 -12.651 3.942 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.112 -13.722 3.951 1.00 0.00 H new ATOM 115 N ASP A 16 1.933 -12.936 5.089 1.00 0.00 N ATOM 116 CA ASP A 16 1.469 -11.532 5.249 1.00 0.00 C ATOM 117 C ASP A 16 2.635 -10.531 4.966 1.00 0.00 C ATOM 118 O ASP A 16 3.695 -10.615 5.595 1.00 0.00 O ATOM 119 CB ASP A 16 0.901 -11.342 6.678 1.00 0.00 C ATOM 120 CG ASP A 16 0.254 -9.971 6.940 1.00 0.00 C ATOM 121 OD1 ASP A 16 -0.942 -9.798 6.626 1.00 0.00 O ATOM 122 OD2 ASP A 16 0.949 -9.059 7.445 1.00 0.00 O ATOM 0 H ASP A 16 2.335 -13.330 5.940 1.00 0.00 H new ATOM 0 HA ASP A 16 0.680 -11.326 4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.160 -12.119 6.865 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.707 -11.491 7.397 1.00 0.00 H new ATOM 123 N ILE A 17 2.379 -9.561 4.070 1.00 0.00 N ATOM 124 CA ILE A 17 3.280 -8.386 3.818 1.00 0.00 C ATOM 125 C ILE A 17 2.398 -7.103 3.710 1.00 0.00 C ATOM 126 O ILE A 17 1.283 -7.132 3.185 1.00 0.00 O ATOM 127 CB ILE A 17 4.221 -8.641 2.575 1.00 0.00 C ATOM 128 CG1 ILE A 17 5.495 -9.441 2.992 1.00 0.00 C ATOM 129 CG2 ILE A 17 4.692 -7.399 1.764 1.00 0.00 C ATOM 130 CD1 ILE A 17 5.854 -10.564 2.024 1.00 0.00 C ATOM 0 H ILE A 17 1.540 -9.556 3.489 1.00 0.00 H new ATOM 0 HA ILE A 17 3.968 -8.239 4.650 1.00 0.00 H new ATOM 0 HB ILE A 17 3.566 -9.201 1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.338 -8.753 3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.340 -9.864 3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.330 -7.722 0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.824 -6.874 1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.252 -6.729 2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.749 -11.076 2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.028 -11.273 1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.042 -10.146 1.035 1.00 0.00 H new ATOM 131 N ASN A 18 2.953 -5.958 4.155 1.00 0.00 N ATOM 132 CA ASN A 18 2.321 -4.622 3.971 1.00 0.00 C ATOM 133 C ASN A 18 2.994 -3.845 2.798 1.00 0.00 C ATOM 134 O ASN A 18 4.213 -3.927 2.608 1.00 0.00 O ATOM 135 CB ASN A 18 2.392 -3.790 5.286 1.00 0.00 C ATOM 136 CG ASN A 18 1.511 -4.261 6.472 1.00 0.00 C ATOM 137 OD1 ASN A 18 1.316 -5.452 6.718 1.00 0.00 O ATOM 138 ND2 ASN A 18 0.975 -3.328 7.245 1.00 0.00 N ATOM 0 H ASN A 18 3.845 -5.925 4.649 1.00 0.00 H new ATOM 0 HA ASN A 18 1.272 -4.779 3.720 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.429 -3.775 5.621 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.119 -2.762 5.050 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.401 -3.596 8.044 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.137 -2.342 7.041 1.00 0.00 H new ATOM 139 N LEU A 19 2.198 -3.044 2.052 1.00 0.00 N ATOM 140 CA LEU A 19 2.752 -2.051 1.070 1.00 0.00 C ATOM 141 C LEU A 19 2.632 -0.636 1.691 1.00 0.00 C ATOM 142 O LEU A 19 1.539 -0.103 1.891 1.00 0.00 O ATOM 143 CB LEU A 19 2.173 -2.132 -0.383 1.00 0.00 C ATOM 144 CG LEU A 19 2.880 -3.180 -1.294 1.00 0.00 C ATOM 145 CD1 LEU A 19 2.155 -3.319 -2.637 1.00 0.00 C ATOM 146 CD2 LEU A 19 4.367 -2.859 -1.587 1.00 0.00 C ATOM 0 H LEU A 19 1.179 -3.056 2.102 1.00 0.00 H new ATOM 0 HA LEU A 19 3.799 -2.308 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.112 -2.374 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.252 -1.150 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 19 2.841 -4.110 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.669 -4.056 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.128 -3.642 -2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.151 -2.357 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.787 -3.635 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.439 -1.895 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.923 -2.821 -0.650 1.00 0.00 H new ATOM 147 N ASP A 20 3.803 -0.078 2.034 1.00 0.00 N ATOM 148 CA ASP A 20 3.936 1.013 3.031 1.00 0.00 C ATOM 149 C ASP A 20 4.967 2.057 2.515 1.00 0.00 C ATOM 150 O ASP A 20 6.127 1.750 2.217 1.00 0.00 O ATOM 151 CB ASP A 20 4.262 0.463 4.449 1.00 0.00 C ATOM 152 CG ASP A 20 5.508 -0.427 4.621 1.00 0.00 C ATOM 153 OD1 ASP A 20 5.391 -1.664 4.467 1.00 0.00 O ATOM 154 OD2 ASP A 20 6.599 0.110 4.913 1.00 0.00 O ATOM 0 H ASP A 20 4.693 -0.368 1.629 1.00 0.00 H new ATOM 0 HA ASP A 20 2.979 1.523 3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.368 1.316 5.120 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.398 -0.106 4.791 1.00 0.00 H new ATOM 155 N ILE A 21 4.488 3.300 2.428 1.00 0.00 N ATOM 156 CA ILE A 21 5.228 4.455 1.845 1.00 0.00 C ATOM 157 C ILE A 21 6.176 5.163 2.881 1.00 0.00 C ATOM 158 O ILE A 21 5.909 5.061 4.086 1.00 0.00 O ATOM 159 CB ILE A 21 4.205 5.450 1.185 1.00 0.00 C ATOM 160 CG1 ILE A 21 3.273 6.275 2.131 1.00 0.00 C ATOM 161 CG2 ILE A 21 3.455 4.809 -0.006 1.00 0.00 C ATOM 162 CD1 ILE A 21 2.117 5.545 2.833 1.00 0.00 C ATOM 0 H ILE A 21 3.558 3.552 2.763 1.00 0.00 H new ATOM 0 HA ILE A 21 5.896 4.077 1.071 1.00 0.00 H new ATOM 0 HB ILE A 21 4.856 6.235 0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.898 6.727 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.846 7.091 1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.759 5.533 -0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.173 4.506 -0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.903 3.935 0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.564 6.251 3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.449 5.118 2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.517 4.748 3.460 1.00 0.00 H new ATOM 163 N PRO A 22 7.239 5.935 2.489 1.00 0.00 N ATOM 164 CA PRO A 22 8.094 6.687 3.451 1.00 0.00 C ATOM 165 C PRO A 22 7.377 7.827 4.230 1.00 0.00 C ATOM 166 O PRO A 22 6.236 8.206 3.946 1.00 0.00 O ATOM 167 CB PRO A 22 9.253 7.181 2.556 1.00 0.00 C ATOM 168 CG PRO A 22 8.662 7.265 1.155 1.00 0.00 C ATOM 169 CD PRO A 22 7.701 6.079 1.092 1.00 0.00 C ATOM 0 HA PRO A 22 8.420 6.059 4.280 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.621 8.152 2.888 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.097 6.492 2.587 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.142 8.210 0.996 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.435 7.194 0.390 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.871 6.271 0.412 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.200 5.176 0.739 1.00 0.00 H new ATOM 170 N SER A 23 8.097 8.355 5.238 1.00 0.00 N ATOM 171 CA SER A 23 7.640 9.386 6.172 1.00 0.00 C ATOM 172 C SER A 23 7.756 10.854 5.646 1.00 0.00 C ATOM 173 O SER A 23 8.078 11.788 6.388 1.00 0.00 O ATOM 174 CB SER A 23 8.291 9.172 7.562 1.00 0.00 C ATOM 175 OG SER A 23 7.961 7.895 8.104 1.00 0.00 O ATOM 0 H SER A 23 9.054 8.057 5.427 1.00 0.00 H new ATOM 0 HA SER A 23 6.563 9.257 6.275 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.374 9.263 7.475 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.959 9.955 8.244 1.00 0.00 H new ATOM 0 HG SER A 23 8.388 7.791 8.980 1.00 0.00 H new ATOM 176 N PHE A 24 7.434 11.029 4.352 1.00 0.00 N ATOM 177 CA PHE A 24 7.392 12.342 3.649 1.00 0.00 C ATOM 178 C PHE A 24 6.496 13.409 4.363 1.00 0.00 C ATOM 179 O PHE A 24 5.427 13.099 4.899 1.00 0.00 O ATOM 180 CB PHE A 24 6.922 12.080 2.184 1.00 0.00 C ATOM 181 CG PHE A 24 7.024 13.283 1.223 1.00 0.00 C ATOM 182 CD1 PHE A 24 8.265 13.661 0.697 1.00 0.00 C ATOM 183 CD2 PHE A 24 5.883 14.021 0.886 1.00 0.00 C ATOM 184 CE1 PHE A 24 8.361 14.763 -0.151 1.00 0.00 C ATOM 185 CE2 PHE A 24 5.983 15.125 0.040 1.00 0.00 C ATOM 186 CZ PHE A 24 7.222 15.493 -0.476 1.00 0.00 C ATOM 0 H PHE A 24 7.188 10.248 3.744 1.00 0.00 H new ATOM 0 HA PHE A 24 8.392 12.777 3.662 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.512 11.260 1.774 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.885 11.745 2.209 1.00 0.00 H new ATOM 0 HD1 PHE A 24 9.151 13.097 0.949 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.921 13.734 1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.320 15.050 -0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.101 15.693 -0.214 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.300 16.348 -1.131 1.00 0.00 H new ATOM 187 N GLN A 25 6.972 14.665 4.342 1.00 0.00 N ATOM 188 CA GLN A 25 6.322 15.810 5.032 1.00 0.00 C ATOM 189 C GLN A 25 4.906 16.182 4.492 1.00 0.00 C ATOM 190 O GLN A 25 4.646 16.112 3.286 1.00 0.00 O ATOM 191 CB GLN A 25 7.289 17.028 5.015 1.00 0.00 C ATOM 192 CG GLN A 25 7.619 17.649 3.631 1.00 0.00 C ATOM 193 CD GLN A 25 8.573 18.848 3.699 1.00 0.00 C ATOM 194 OE1 GLN A 25 9.779 18.720 3.483 1.00 0.00 O ATOM 195 NE2 GLN A 25 8.060 20.035 3.985 1.00 0.00 N ATOM 0 H GLN A 25 7.824 14.924 3.845 1.00 0.00 H new ATOM 0 HA GLN A 25 6.133 15.496 6.058 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.860 17.809 5.643 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.226 16.723 5.481 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.061 16.881 2.995 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.691 17.963 3.154 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.060 20.129 4.162 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.665 20.855 4.028 1.00 0.00 H new ATOM 196 N MET A 26 4.019 16.586 5.418 1.00 0.00 N ATOM 197 CA MET A 26 2.624 16.993 5.103 1.00 0.00 C ATOM 198 C MET A 26 2.362 18.433 5.628 1.00 0.00 C ATOM 199 O MET A 26 2.610 18.738 6.801 1.00 0.00 O ATOM 200 CB MET A 26 1.600 15.954 5.635 1.00 0.00 C ATOM 201 CG MET A 26 1.553 15.701 7.155 1.00 0.00 C ATOM 202 SD MET A 26 0.391 14.367 7.498 1.00 0.00 S ATOM 203 CE MET A 26 0.521 14.261 9.292 1.00 0.00 C ATOM 0 H MET A 26 4.243 16.642 6.412 1.00 0.00 H new ATOM 0 HA MET A 26 2.490 17.013 4.021 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.606 16.271 5.318 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.803 15.002 5.144 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.545 15.439 7.523 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.249 16.608 7.677 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.141 13.477 9.659 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.549 14.027 9.569 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.234 15.215 9.735 1.00 0.00 H new ATOM 204 N SER A 27 1.836 19.306 4.748 1.00 0.00 N ATOM 205 CA SER A 27 1.491 20.708 5.100 1.00 0.00 C ATOM 206 C SER A 27 0.024 20.820 5.607 1.00 0.00 C ATOM 207 O SER A 27 -0.172 21.050 6.805 1.00 0.00 O ATOM 208 CB SER A 27 1.819 21.669 3.929 1.00 0.00 C ATOM 209 OG SER A 27 3.213 21.695 3.653 1.00 0.00 O ATOM 0 H SER A 27 1.637 19.067 3.777 1.00 0.00 H new ATOM 0 HA SER A 27 2.116 21.023 5.935 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.276 21.356 3.037 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.477 22.674 4.175 1.00 0.00 H new ATOM 0 HG SER A 27 3.388 22.308 2.909 1.00 0.00 H new ATOM 210 N ASP A 28 -0.989 20.697 4.720 1.00 0.00 N ATOM 211 CA ASP A 28 -2.413 20.932 5.060 1.00 0.00 C ATOM 212 C ASP A 28 -3.222 20.121 4.010 1.00 0.00 C ATOM 213 O ASP A 28 -3.351 20.538 2.854 1.00 0.00 O ATOM 214 CB ASP A 28 -2.853 22.430 5.036 1.00 0.00 C ATOM 215 CG ASP A 28 -2.105 23.395 5.970 1.00 0.00 C ATOM 216 OD1 ASP A 28 -2.321 23.343 7.201 1.00 0.00 O ATOM 217 OD2 ASP A 28 -1.287 24.200 5.470 1.00 0.00 O ATOM 0 H ASP A 28 -0.843 20.432 3.746 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.590 20.620 6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.747 22.797 4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.914 22.475 5.283 1.00 0.00 H new ATOM 218 N ASP A 29 -3.766 18.972 4.449 1.00 0.00 N ATOM 219 CA ASP A 29 -4.773 18.148 3.707 1.00 0.00 C ATOM 220 C ASP A 29 -4.086 17.011 2.899 1.00 0.00 C ATOM 221 O ASP A 29 -3.473 17.262 1.860 1.00 0.00 O ATOM 222 CB ASP A 29 -5.848 18.889 2.849 1.00 0.00 C ATOM 223 CG ASP A 29 -6.822 19.760 3.658 1.00 0.00 C ATOM 224 OD1 ASP A 29 -6.428 20.863 4.098 1.00 0.00 O ATOM 225 OD2 ASP A 29 -7.985 19.345 3.860 1.00 0.00 O ATOM 0 H ASP A 29 -3.519 18.569 5.353 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.374 17.734 4.516 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.340 19.518 2.118 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.421 18.149 2.290 1.00 0.00 H new ATOM 226 N ILE A 30 -4.240 15.763 3.391 1.00 0.00 N ATOM 227 CA ILE A 30 -3.800 14.518 2.695 1.00 0.00 C ATOM 228 C ILE A 30 -4.846 13.396 3.002 1.00 0.00 C ATOM 229 O ILE A 30 -5.200 13.175 4.166 1.00 0.00 O ATOM 230 CB ILE A 30 -2.316 14.067 2.985 1.00 0.00 C ATOM 231 CG1 ILE A 30 -1.743 14.254 4.425 1.00 0.00 C ATOM 232 CG2 ILE A 30 -1.335 14.709 1.977 1.00 0.00 C ATOM 233 CD1 ILE A 30 -2.420 13.440 5.537 1.00 0.00 C ATOM 0 H ILE A 30 -4.678 15.581 4.294 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.771 14.731 1.626 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.396 12.986 2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.684 13.996 4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.809 15.310 4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.319 14.382 2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.601 14.404 0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.392 15.795 2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.936 13.653 6.490 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.474 13.711 5.596 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.331 12.377 5.315 1.00 0.00 H new ATOM 234 N ASP A 31 -5.354 12.691 1.962 1.00 0.00 N ATOM 235 CA ASP A 31 -6.486 11.725 2.120 1.00 0.00 C ATOM 236 C ASP A 31 -6.316 10.370 1.363 1.00 0.00 C ATOM 237 O ASP A 31 -6.443 9.311 1.985 1.00 0.00 O ATOM 238 CB ASP A 31 -7.816 12.435 1.741 1.00 0.00 C ATOM 239 CG ASP A 31 -9.066 11.809 2.363 1.00 0.00 C ATOM 240 OD1 ASP A 31 -9.407 10.663 2.002 1.00 0.00 O ATOM 241 OD2 ASP A 31 -9.705 12.454 3.224 1.00 0.00 O ATOM 0 H ASP A 31 -5.005 12.767 1.007 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.498 11.430 3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.756 13.479 2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.922 12.427 0.656 1.00 0.00 H new ATOM 242 N ASP A 32 -6.125 10.405 0.032 1.00 0.00 N ATOM 243 CA ASP A 32 -6.206 9.212 -0.855 1.00 0.00 C ATOM 244 C ASP A 32 -4.843 8.483 -0.939 1.00 0.00 C ATOM 245 O ASP A 32 -3.791 9.116 -1.073 1.00 0.00 O ATOM 246 CB ASP A 32 -6.624 9.769 -2.256 1.00 0.00 C ATOM 247 CG ASP A 32 -6.870 8.813 -3.442 1.00 0.00 C ATOM 248 OD1 ASP A 32 -6.031 7.931 -3.720 1.00 0.00 O ATOM 249 OD2 ASP A 32 -7.916 8.955 -4.115 1.00 0.00 O ATOM 0 H ASP A 32 -5.908 11.266 -0.470 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.919 8.479 -0.477 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.539 10.344 -2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.851 10.472 -2.566 1.00 0.00 H new ATOM 250 N ILE A 33 -4.899 7.140 -0.886 1.00 0.00 N ATOM 251 CA ILE A 33 -3.696 6.279 -1.078 1.00 0.00 C ATOM 252 C ILE A 33 -4.149 5.165 -2.072 1.00 0.00 C ATOM 253 O ILE A 33 -4.951 4.289 -1.731 1.00 0.00 O ATOM 254 CB ILE A 33 -3.058 5.760 0.266 1.00 0.00 C ATOM 255 CG1 ILE A 33 -2.479 6.891 1.181 1.00 0.00 C ATOM 256 CG2 ILE A 33 -1.915 4.740 0.009 1.00 0.00 C ATOM 257 CD1 ILE A 33 -3.464 7.528 2.174 1.00 0.00 C ATOM 0 H ILE A 33 -5.759 6.619 -0.713 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.861 6.842 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.894 5.289 0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.641 6.481 1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.079 7.678 0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.503 4.408 0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.309 3.882 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.130 5.214 -0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.951 8.297 2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.293 7.978 1.627 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.848 6.762 2.848 1.00 0.00 H new ATOM 258 N LYS A 34 -3.592 5.223 -3.293 1.00 0.00 N ATOM 259 CA LYS A 34 -3.913 4.291 -4.403 1.00 0.00 C ATOM 260 C LYS A 34 -2.718 3.351 -4.671 1.00 0.00 C ATOM 261 O LYS A 34 -1.566 3.781 -4.735 1.00 0.00 O ATOM 262 CB LYS A 34 -4.307 5.154 -5.642 1.00 0.00 C ATOM 263 CG LYS A 34 -4.448 4.455 -7.017 1.00 0.00 C ATOM 264 CD LYS A 34 -4.899 5.363 -8.183 1.00 0.00 C ATOM 265 CE LYS A 34 -6.373 5.818 -8.178 1.00 0.00 C ATOM 266 NZ LYS A 34 -6.679 6.925 -7.255 1.00 0.00 N ATOM 0 H LYS A 34 -2.897 5.925 -3.547 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.752 3.641 -4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.257 5.640 -5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.562 5.943 -5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.489 4.008 -7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.163 3.638 -6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.269 6.252 -8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.709 4.836 -9.118 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.648 6.121 -9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.000 4.965 -7.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.443 7.508 -7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.981 6.539 -6.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.830 7.511 -7.122 1.00 0.00 H new ATOM 267 N TRP A 35 -3.045 2.066 -4.880 1.00 0.00 N ATOM 268 CA TRP A 35 -2.078 1.035 -5.323 1.00 0.00 C ATOM 269 C TRP A 35 -2.693 0.381 -6.608 1.00 0.00 C ATOM 270 O TRP A 35 -3.751 -0.279 -6.603 1.00 0.00 O ATOM 271 CB TRP A 35 -1.750 0.047 -4.174 1.00 0.00 C ATOM 272 CG TRP A 35 -0.855 0.646 -3.051 1.00 0.00 C ATOM 273 CD1 TRP A 35 -1.212 1.279 -1.841 1.00 0.00 C ATOM 274 CD2 TRP A 35 0.513 0.663 -3.035 1.00 0.00 C ATOM 275 NE1 TRP A 35 -0.103 1.663 -1.069 1.00 0.00 N ATOM 276 CE2 TRP A 35 0.965 1.267 -1.834 1.00 0.00 C ATOM 277 CE3 TRP A 35 1.420 0.146 -3.960 1.00 0.00 C ATOM 278 CZ2 TRP A 35 2.349 1.336 -1.550 1.00 0.00 C ATOM 279 CZ3 TRP A 35 2.777 0.198 -3.665 1.00 0.00 C ATOM 280 CH2 TRP A 35 3.233 0.763 -2.468 1.00 0.00 C ATOM 0 H TRP A 35 -3.990 1.706 -4.747 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.105 1.453 -5.580 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -2.684 -0.301 -3.732 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -1.251 -0.827 -4.593 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.235 1.451 -1.539 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.094 2.125 -0.160 1.00 0.00 H new ATOM 0 HE3 TRP A 35 1.074 -0.286 -4.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.711 1.816 -0.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.490 -0.203 -4.370 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.291 0.756 -2.249 1.00 0.00 H new ATOM 281 N GLU A 36 -1.974 0.667 -7.709 1.00 0.00 N ATOM 282 CA GLU A 36 -2.360 0.353 -9.116 1.00 0.00 C ATOM 283 C GLU A 36 -1.270 -0.525 -9.822 1.00 0.00 C ATOM 284 O GLU A 36 -0.211 -0.783 -9.244 1.00 0.00 O ATOM 285 CB GLU A 36 -2.662 1.697 -9.858 1.00 0.00 C ATOM 286 CG GLU A 36 -1.522 2.735 -10.000 1.00 0.00 C ATOM 287 CD GLU A 36 -1.922 3.971 -10.809 1.00 0.00 C ATOM 288 OE1 GLU A 36 -2.001 3.879 -12.054 1.00 0.00 O ATOM 289 OE2 GLU A 36 -2.149 5.044 -10.207 1.00 0.00 O ATOM 0 H GLU A 36 -1.073 1.141 -7.652 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.266 -0.253 -9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.013 1.451 -10.860 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.490 2.182 -9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.200 3.049 -9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.665 2.259 -10.477 1.00 0.00 H new ATOM 290 N LYS A 37 -1.509 -1.000 -11.069 1.00 0.00 N ATOM 291 CA LYS A 37 -0.548 -1.909 -11.775 1.00 0.00 C ATOM 292 C LYS A 37 0.415 -1.126 -12.719 1.00 0.00 C ATOM 293 O LYS A 37 0.043 -0.077 -13.256 1.00 0.00 O ATOM 294 CB LYS A 37 -1.300 -2.992 -12.591 1.00 0.00 C ATOM 295 CG LYS A 37 -2.196 -3.963 -11.787 1.00 0.00 C ATOM 296 CD LYS A 37 -2.832 -5.042 -12.690 1.00 0.00 C ATOM 297 CE LYS A 37 -3.880 -5.933 -12.006 1.00 0.00 C ATOM 298 NZ LYS A 37 -3.306 -6.909 -11.061 1.00 0.00 N ATOM 0 H LYS A 37 -2.346 -0.777 -11.608 1.00 0.00 H new ATOM 0 HA LYS A 37 0.048 -2.390 -11.000 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.921 -2.490 -13.333 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.563 -3.581 -13.137 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.603 -4.444 -11.009 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.983 -3.400 -11.285 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.298 -4.550 -13.544 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.039 -5.678 -13.083 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.590 -5.300 -11.474 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.442 -6.469 -12.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.070 -7.474 -10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.650 -7.537 -11.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.793 -6.405 -10.310 1.00 0.00 H new ATOM 299 N THR A 38 1.636 -1.658 -12.963 1.00 0.00 N ATOM 300 CA THR A 38 2.579 -1.073 -13.975 1.00 0.00 C ATOM 301 C THR A 38 2.334 -1.605 -15.423 1.00 0.00 C ATOM 302 O THR A 38 2.140 -0.794 -16.333 1.00 0.00 O ATOM 303 CB THR A 38 4.082 -1.187 -13.585 1.00 0.00 C ATOM 304 OG1 THR A 38 4.487 -2.547 -13.501 1.00 0.00 O ATOM 305 CG2 THR A 38 4.467 -0.468 -12.284 1.00 0.00 C ATOM 0 H THR A 38 1.998 -2.482 -12.484 1.00 0.00 H new ATOM 0 HA THR A 38 2.340 -0.010 -13.971 1.00 0.00 H new ATOM 0 HB THR A 38 4.610 -0.677 -14.391 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.436 -2.621 -13.734 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.532 -0.603 -12.095 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.247 0.596 -12.377 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.896 -0.885 -11.455 1.00 0.00 H new ATOM 306 N SER A 39 2.354 -2.941 -15.632 1.00 0.00 N ATOM 307 CA SER A 39 2.151 -3.574 -16.969 1.00 0.00 C ATOM 308 C SER A 39 0.767 -3.310 -17.644 1.00 0.00 C ATOM 309 O SER A 39 0.731 -3.028 -18.845 1.00 0.00 O ATOM 310 CB SER A 39 2.449 -5.087 -16.831 1.00 0.00 C ATOM 311 OG SER A 39 2.489 -5.720 -18.104 1.00 0.00 O ATOM 0 H SER A 39 2.511 -3.616 -14.884 1.00 0.00 H new ATOM 0 HA SER A 39 2.846 -3.095 -17.658 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.402 -5.228 -16.321 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.684 -5.556 -16.212 1.00 0.00 H new ATOM 0 HG SER A 39 2.680 -6.674 -17.989 1.00 0.00 H new ATOM 312 N ASP A 40 -0.342 -3.384 -16.883 1.00 0.00 N ATOM 313 CA ASP A 40 -1.698 -2.989 -17.367 1.00 0.00 C ATOM 314 C ASP A 40 -2.010 -1.456 -17.285 1.00 0.00 C ATOM 315 O ASP A 40 -2.808 -0.978 -18.096 1.00 0.00 O ATOM 316 CB ASP A 40 -2.799 -3.770 -16.597 1.00 0.00 C ATOM 317 CG ASP A 40 -2.784 -5.300 -16.747 1.00 0.00 C ATOM 318 OD1 ASP A 40 -2.044 -5.974 -15.996 1.00 0.00 O ATOM 319 OD2 ASP A 40 -3.508 -5.832 -17.617 1.00 0.00 O ATOM 0 H ASP A 40 -0.334 -3.716 -15.919 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.699 -3.246 -18.426 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.710 -3.530 -15.537 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.771 -3.404 -16.927 1.00 0.00 H new ATOM 320 N LYS A 41 -1.457 -0.708 -16.295 1.00 0.00 N ATOM 321 CA LYS A 41 -1.884 0.680 -15.934 1.00 0.00 C ATOM 322 C LYS A 41 -3.343 0.679 -15.387 1.00 0.00 C ATOM 323 O LYS A 41 -4.269 1.109 -16.083 1.00 0.00 O ATOM 324 CB LYS A 41 -1.583 1.729 -17.048 1.00 0.00 C ATOM 325 CG LYS A 41 -1.545 3.197 -16.556 1.00 0.00 C ATOM 326 CD LYS A 41 -1.423 4.265 -17.663 1.00 0.00 C ATOM 327 CE LYS A 41 -0.100 4.230 -18.455 1.00 0.00 C ATOM 328 NZ LYS A 41 -0.016 5.343 -19.418 1.00 0.00 N ATOM 0 H LYS A 41 -0.692 -1.052 -15.715 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.260 1.028 -15.111 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.624 1.488 -17.506 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.340 1.640 -17.827 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.452 3.394 -15.984 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.705 3.311 -15.871 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.251 4.140 -18.361 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.533 5.251 -17.211 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.741 4.282 -17.763 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.018 3.282 -18.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.886 5.289 -19.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.805 5.278 -20.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.070 6.248 -18.908 1.00 0.00 H new ATOM 329 N LYS A 42 -3.545 0.113 -14.175 1.00 0.00 N ATOM 330 CA LYS A 42 -4.889 -0.337 -13.739 1.00 0.00 C ATOM 331 C LYS A 42 -5.034 -0.226 -12.208 1.00 0.00 C ATOM 332 O LYS A 42 -4.394 -0.971 -11.464 1.00 0.00 O ATOM 333 CB LYS A 42 -5.158 -1.771 -14.275 1.00 0.00 C ATOM 334 CG LYS A 42 -6.612 -2.276 -14.146 1.00 0.00 C ATOM 335 CD LYS A 42 -6.771 -3.731 -14.635 1.00 0.00 C ATOM 336 CE LYS A 42 -8.222 -4.242 -14.562 1.00 0.00 C ATOM 337 NZ LYS A 42 -8.311 -5.662 -14.951 1.00 0.00 N ATOM 0 H LYS A 42 -2.806 -0.042 -13.489 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.652 0.316 -14.162 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.874 -1.804 -15.327 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.504 -2.465 -13.746 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.927 -2.208 -13.105 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.272 -1.627 -14.722 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.419 -3.802 -15.664 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.134 -4.381 -14.035 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.604 -4.116 -13.549 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.854 -3.643 -15.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.300 -5.977 -14.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.969 -5.777 -15.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.726 -6.235 -14.309 1.00 0.00 H new ATOM 338 N LYS A 43 -5.936 0.671 -11.764 1.00 0.00 N ATOM 339 CA LYS A 43 -6.267 0.881 -10.330 1.00 0.00 C ATOM 340 C LYS A 43 -7.077 -0.304 -9.734 1.00 0.00 C ATOM 341 O LYS A 43 -8.312 -0.311 -9.736 1.00 0.00 O ATOM 342 CB LYS A 43 -6.890 2.291 -10.102 1.00 0.00 C ATOM 343 CG LYS A 43 -8.040 2.767 -11.029 1.00 0.00 C ATOM 344 CD LYS A 43 -8.424 4.242 -10.781 1.00 0.00 C ATOM 345 CE LYS A 43 -9.420 4.858 -11.781 1.00 0.00 C ATOM 346 NZ LYS A 43 -8.810 5.126 -13.100 1.00 0.00 N ATOM 0 H LYS A 43 -6.463 1.278 -12.391 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.342 0.879 -9.754 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.259 2.325 -9.077 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.085 3.022 -10.176 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.739 2.643 -12.069 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.914 2.135 -10.872 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.848 4.323 -9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.513 4.840 -10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.267 4.183 -11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.812 5.788 -11.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.523 5.540 -13.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.019 5.791 -12.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.459 4.236 -13.507 1.00 0.00 H new ATOM 347 N ILE A 44 -6.328 -1.310 -9.231 1.00 0.00 N ATOM 348 CA ILE A 44 -6.889 -2.548 -8.624 1.00 0.00 C ATOM 349 C ILE A 44 -7.529 -2.293 -7.227 1.00 0.00 C ATOM 350 O ILE A 44 -8.664 -2.742 -7.031 1.00 0.00 O ATOM 351 CB ILE A 44 -5.895 -3.761 -8.713 1.00 0.00 C ATOM 352 CG1 ILE A 44 -6.585 -5.094 -8.297 1.00 0.00 C ATOM 353 CG2 ILE A 44 -4.561 -3.560 -7.950 1.00 0.00 C ATOM 354 CD1 ILE A 44 -5.898 -6.390 -8.745 1.00 0.00 C ATOM 0 H ILE A 44 -5.308 -1.290 -9.233 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.735 -2.863 -9.235 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.618 -3.820 -9.765 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.668 -5.110 -7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.600 -5.091 -8.694 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.938 -4.447 -8.067 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.038 -2.693 -8.354 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.768 -3.399 -6.892 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.474 -7.247 -8.395 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.839 -6.413 -9.833 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.893 -6.432 -8.326 1.00 0.00 H new ATOM 355 N ALA A 45 -6.870 -1.568 -6.291 1.00 0.00 N ATOM 356 CA ALA A 45 -7.586 -0.998 -5.127 1.00 0.00 C ATOM 357 C ALA A 45 -7.104 0.460 -4.901 1.00 0.00 C ATOM 358 O ALA A 45 -5.995 0.856 -5.278 1.00 0.00 O ATOM 359 CB ALA A 45 -7.440 -1.941 -3.925 1.00 0.00 C ATOM 0 H ALA A 45 -5.870 -1.368 -6.317 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.660 -0.925 -5.299 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.967 -1.522 -3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.865 -2.914 -4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.384 -2.058 -3.680 1.00 0.00 H new ATOM 360 N GLN A 46 -7.979 1.280 -4.301 1.00 0.00 N ATOM 361 CA GLN A 46 -7.696 2.712 -4.031 1.00 0.00 C ATOM 362 C GLN A 46 -8.643 3.248 -2.930 1.00 0.00 C ATOM 363 O GLN A 46 -9.799 2.834 -2.796 1.00 0.00 O ATOM 364 CB GLN A 46 -7.769 3.584 -5.323 1.00 0.00 C ATOM 365 CG GLN A 46 -9.114 3.671 -6.092 1.00 0.00 C ATOM 366 CD GLN A 46 -10.053 4.841 -5.743 1.00 0.00 C ATOM 367 OE1 GLN A 46 -9.873 5.586 -4.776 1.00 0.00 O ATOM 368 NE2 GLN A 46 -11.090 5.025 -6.542 1.00 0.00 N ATOM 0 H GLN A 46 -8.902 0.978 -3.987 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.670 2.784 -3.670 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.477 4.599 -5.053 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.016 3.210 -6.017 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.890 3.724 -7.158 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.658 2.741 -5.926 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.235 4.407 -7.340 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.745 5.785 -6.360 1.00 0.00 H new ATOM 369 N PHE A 47 -8.121 4.206 -2.157 1.00 0.00 N ATOM 370 CA PHE A 47 -8.809 4.759 -0.962 1.00 0.00 C ATOM 371 C PHE A 47 -9.013 6.270 -1.106 1.00 0.00 C ATOM 372 O PHE A 47 -8.123 6.947 -1.615 1.00 0.00 O ATOM 373 CB PHE A 47 -7.960 4.428 0.308 1.00 0.00 C ATOM 374 CG PHE A 47 -8.461 3.136 0.954 1.00 0.00 C ATOM 375 CD1 PHE A 47 -8.282 1.916 0.293 1.00 0.00 C ATOM 376 CD2 PHE A 47 -9.319 3.216 2.049 1.00 0.00 C ATOM 377 CE1 PHE A 47 -9.019 0.802 0.682 1.00 0.00 C ATOM 378 CE2 PHE A 47 -10.028 2.087 2.463 1.00 0.00 C ATOM 379 CZ PHE A 47 -9.890 0.886 1.768 1.00 0.00 C ATOM 0 H PHE A 47 -7.209 4.627 -2.334 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.795 4.304 -0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.910 4.324 0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.024 5.249 1.022 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.573 1.839 -0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.435 4.151 2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.917 -0.128 0.143 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.682 2.144 3.320 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.459 0.019 2.071 1.00 0.00 H new ATOM 380 N ARG A 48 -10.151 6.783 -0.593 1.00 0.00 N ATOM 381 CA ARG A 48 -10.332 8.237 -0.362 1.00 0.00 C ATOM 382 C ARG A 48 -11.268 8.431 0.875 1.00 0.00 C ATOM 383 O ARG A 48 -10.864 8.074 1.986 1.00 0.00 O ATOM 384 CB ARG A 48 -10.685 8.972 -1.695 1.00 0.00 C ATOM 385 CG ARG A 48 -10.621 10.518 -1.635 1.00 0.00 C ATOM 386 CD ARG A 48 -11.022 11.175 -2.968 1.00 0.00 C ATOM 387 NE ARG A 48 -11.093 12.654 -2.856 1.00 0.00 N ATOM 388 CZ ARG A 48 -11.606 13.461 -3.807 1.00 0.00 C ATOM 389 NH1 ARG A 48 -12.065 13.031 -4.981 1.00 0.00 N ATOM 390 NH2 ARG A 48 -11.662 14.757 -3.567 1.00 0.00 N ATOM 0 H ARG A 48 -10.958 6.216 -0.331 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.410 8.743 -0.077 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.004 8.626 -2.473 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -11.690 8.678 -1.998 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.280 10.876 -0.844 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.610 10.827 -1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.300 10.903 -3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.990 10.788 -3.287 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.731 13.087 -2.006 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.041 12.036 -5.205 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -12.441 13.697 -5.656 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.322 15.126 -2.679 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.045 15.390 -4.269 1.00 0.00 H new ATOM 391 N LYS A 49 -12.458 9.049 0.717 1.00 0.00 N ATOM 392 CA LYS A 49 -13.200 9.693 1.840 1.00 0.00 C ATOM 393 C LYS A 49 -14.718 9.355 1.752 1.00 0.00 C ATOM 394 O LYS A 49 -15.560 10.239 1.554 1.00 0.00 O ATOM 395 CB LYS A 49 -12.894 11.220 1.741 1.00 0.00 C ATOM 396 CG LYS A 49 -13.288 12.069 2.969 1.00 0.00 C ATOM 397 CD LYS A 49 -12.977 13.579 2.843 1.00 0.00 C ATOM 398 CE LYS A 49 -13.884 14.401 1.899 1.00 0.00 C ATOM 399 NZ LYS A 49 -13.483 14.336 0.480 1.00 0.00 N ATOM 0 H LYS A 49 -12.935 9.119 -0.182 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.885 9.324 2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.826 11.346 1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.410 11.618 0.868 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.356 11.947 3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.770 11.678 3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.032 14.021 3.838 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.947 13.687 2.503 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.909 14.044 1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.878 15.442 2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.777 15.208 -0.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.450 14.236 0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.939 13.518 0.027 1.00 0.00 H new ATOM 400 N GLU A 50 -15.069 8.054 1.863 1.00 0.00 N ATOM 401 CA GLU A 50 -16.427 7.522 1.509 1.00 0.00 C ATOM 402 C GLU A 50 -16.979 7.927 0.090 1.00 0.00 C ATOM 403 O GLU A 50 -18.176 8.188 -0.076 1.00 0.00 O ATOM 404 CB GLU A 50 -17.466 7.775 2.646 1.00 0.00 C ATOM 405 CG GLU A 50 -17.132 7.265 4.068 1.00 0.00 C ATOM 406 CD GLU A 50 -17.119 5.739 4.202 1.00 0.00 C ATOM 407 OE1 GLU A 50 -18.180 5.149 4.504 1.00 0.00 O ATOM 408 OE2 GLU A 50 -16.047 5.123 4.007 1.00 0.00 O ATOM 0 H GLU A 50 -14.428 7.335 2.199 1.00 0.00 H new ATOM 0 HA GLU A 50 -16.272 6.447 1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.636 8.850 2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.409 7.321 2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.156 7.652 4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -17.860 7.674 4.769 1.00 0.00 H new ATOM 409 N LYS A 51 -16.096 7.979 -0.929 1.00 0.00 N ATOM 410 CA LYS A 51 -16.457 8.388 -2.308 1.00 0.00 C ATOM 411 C LYS A 51 -15.424 7.759 -3.259 1.00 0.00 C ATOM 412 O LYS A 51 -14.239 8.108 -3.296 1.00 0.00 O ATOM 413 CB LYS A 51 -16.632 9.901 -2.563 1.00 0.00 C ATOM 414 CG LYS A 51 -15.508 10.859 -2.089 1.00 0.00 C ATOM 415 CD LYS A 51 -15.791 12.370 -2.230 1.00 0.00 C ATOM 416 CE LYS A 51 -15.898 12.928 -3.665 1.00 0.00 C ATOM 417 NZ LYS A 51 -17.250 12.796 -4.243 1.00 0.00 N ATOM 0 H LYS A 51 -15.111 7.739 -0.821 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.465 8.017 -2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -16.762 10.045 -3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -17.560 10.214 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.298 10.647 -1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.602 10.627 -2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.723 12.591 -1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.000 12.913 -1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.613 13.980 -3.661 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.185 12.408 -4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -17.392 13.531 -4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.351 11.858 -4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.961 12.906 -3.492 1.00 0.00 H new ATOM 418 N GLU A 52 -15.955 6.771 -3.982 1.00 0.00 N ATOM 419 CA GLU A 52 -15.182 5.810 -4.825 1.00 0.00 C ATOM 420 C GLU A 52 -14.029 5.116 -4.033 1.00 0.00 C ATOM 421 O GLU A 52 -12.888 5.591 -4.045 1.00 0.00 O ATOM 422 CB GLU A 52 -14.686 6.417 -6.169 1.00 0.00 C ATOM 423 CG GLU A 52 -15.788 6.819 -7.170 1.00 0.00 C ATOM 424 CD GLU A 52 -15.199 7.393 -8.461 1.00 0.00 C ATOM 425 OE1 GLU A 52 -14.922 6.613 -9.399 1.00 0.00 O ATOM 426 OE2 GLU A 52 -14.999 8.625 -8.538 1.00 0.00 O ATOM 0 H GLU A 52 -16.960 6.599 -4.009 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.895 5.032 -5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.083 7.298 -5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.029 5.694 -6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -16.401 5.949 -7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -16.445 7.557 -6.710 1.00 0.00 H new ATOM 427 N THR A 53 -14.353 4.024 -3.319 1.00 0.00 N ATOM 428 CA THR A 53 -13.361 3.260 -2.516 1.00 0.00 C ATOM 429 C THR A 53 -13.372 1.813 -3.071 1.00 0.00 C ATOM 430 O THR A 53 -14.263 1.014 -2.761 1.00 0.00 O ATOM 431 CB THR A 53 -13.662 3.366 -0.992 1.00 0.00 C ATOM 432 OG1 THR A 53 -13.641 4.734 -0.589 1.00 0.00 O ATOM 433 CG2 THR A 53 -12.640 2.626 -0.112 1.00 0.00 C ATOM 0 H THR A 53 -15.298 3.643 -3.277 1.00 0.00 H new ATOM 0 HA THR A 53 -12.355 3.668 -2.610 1.00 0.00 H new ATOM 0 HB THR A 53 -14.640 2.906 -0.853 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.833 4.795 0.370 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.912 2.742 0.937 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.636 1.567 -0.371 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.647 3.044 -0.278 1.00 0.00 H new ATOM 434 N PHE A 54 -12.344 1.494 -3.875 1.00 0.00 N ATOM 435 CA PHE A 54 -12.096 0.116 -4.373 1.00 0.00 C ATOM 436 C PHE A 54 -11.209 -0.604 -3.316 1.00 0.00 C ATOM 437 O PHE A 54 -10.179 -0.074 -2.887 1.00 0.00 O ATOM 438 CB PHE A 54 -11.420 0.127 -5.778 1.00 0.00 C ATOM 439 CG PHE A 54 -12.028 0.943 -6.950 1.00 0.00 C ATOM 440 CD1 PHE A 54 -13.385 1.296 -7.017 1.00 0.00 C ATOM 441 CD2 PHE A 54 -11.169 1.365 -7.974 1.00 0.00 C ATOM 442 CE1 PHE A 54 -13.859 2.087 -8.061 1.00 0.00 C ATOM 443 CE2 PHE A 54 -11.645 2.157 -9.016 1.00 0.00 C ATOM 444 CZ PHE A 54 -12.988 2.520 -9.057 1.00 0.00 C ATOM 0 H PHE A 54 -11.659 2.176 -4.201 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.039 -0.416 -4.501 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.399 0.481 -5.638 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.356 -0.909 -6.110 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.067 0.952 -6.253 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -10.129 1.074 -7.955 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.902 2.364 -8.098 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -10.972 2.490 -9.792 1.00 0.00 H new ATOM 0 HZ PHE A 54 -13.355 3.139 -9.863 1.00 0.00 H new ATOM 445 N LYS A 55 -11.645 -1.780 -2.847 1.00 0.00 N ATOM 446 CA LYS A 55 -11.023 -2.457 -1.668 1.00 0.00 C ATOM 447 C LYS A 55 -11.042 -4.012 -1.696 1.00 0.00 C ATOM 448 O LYS A 55 -10.122 -4.614 -1.134 1.00 0.00 O ATOM 449 CB LYS A 55 -11.510 -1.842 -0.318 1.00 0.00 C ATOM 450 CG LYS A 55 -13.026 -1.672 -0.036 1.00 0.00 C ATOM 451 CD LYS A 55 -13.834 -2.913 0.399 1.00 0.00 C ATOM 452 CE LYS A 55 -13.655 -3.362 1.863 1.00 0.00 C ATOM 453 NZ LYS A 55 -12.410 -4.115 2.091 1.00 0.00 N ATOM 0 H LYS A 55 -12.425 -2.294 -3.256 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.959 -2.237 -1.751 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.100 -2.457 0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.053 -0.856 -0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.137 -0.915 0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.489 -1.274 -0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.891 -2.710 0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.561 -3.745 -0.250 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.665 -2.484 2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.504 -3.981 2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.552 -4.794 2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.151 -4.628 1.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.647 -3.455 2.344 1.00 0.00 H new ATOM 454 N GLU A 56 -12.034 -4.660 -2.354 1.00 0.00 N ATOM 455 CA GLU A 56 -12.032 -6.121 -2.653 1.00 0.00 C ATOM 456 C GLU A 56 -11.907 -7.056 -1.398 1.00 0.00 C ATOM 457 O GLU A 56 -12.457 -6.737 -0.338 1.00 0.00 O ATOM 458 CB GLU A 56 -11.201 -6.438 -3.945 1.00 0.00 C ATOM 459 CG GLU A 56 -9.667 -6.242 -3.874 1.00 0.00 C ATOM 460 CD GLU A 56 -8.928 -6.700 -5.133 1.00 0.00 C ATOM 461 OE1 GLU A 56 -9.017 -6.005 -6.170 1.00 0.00 O ATOM 462 OE2 GLU A 56 -8.252 -7.751 -5.092 1.00 0.00 O ATOM 0 H GLU A 56 -12.868 -4.183 -2.697 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.038 -6.422 -2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.395 -7.474 -4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.583 -5.813 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.452 -5.187 -3.701 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.279 -6.791 -3.016 1.00 0.00 H new ATOM 463 N LYS A 57 -11.216 -8.201 -1.526 1.00 0.00 N ATOM 464 CA LYS A 57 -11.024 -9.189 -0.428 1.00 0.00 C ATOM 465 C LYS A 57 -9.768 -8.874 0.444 1.00 0.00 C ATOM 466 O LYS A 57 -8.901 -8.087 0.050 1.00 0.00 O ATOM 467 CB LYS A 57 -11.013 -10.609 -1.070 1.00 0.00 C ATOM 468 CG LYS A 57 -9.730 -11.009 -1.844 1.00 0.00 C ATOM 469 CD LYS A 57 -9.886 -12.192 -2.820 1.00 0.00 C ATOM 470 CE LYS A 57 -10.558 -11.795 -4.149 1.00 0.00 C ATOM 471 NZ LYS A 57 -10.623 -12.931 -5.086 1.00 0.00 N ATOM 0 H LYS A 57 -10.767 -8.478 -2.399 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.847 -9.133 0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.177 -11.342 -0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.860 -10.681 -1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.379 -10.142 -2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.953 -11.257 -1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.903 -12.615 -3.029 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.475 -12.975 -2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.565 -11.427 -3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.003 -10.976 -4.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.081 -12.627 -5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.660 -13.266 -5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.174 -13.703 -4.658 1.00 0.00 H new ATOM 472 N ASP A 58 -9.659 -9.542 1.608 1.00 0.00 N ATOM 473 CA ASP A 58 -8.506 -9.360 2.554 1.00 0.00 C ATOM 474 C ASP A 58 -7.069 -9.651 2.030 1.00 0.00 C ATOM 475 O ASP A 58 -6.112 -9.015 2.485 1.00 0.00 O ATOM 476 CB ASP A 58 -8.687 -10.150 3.878 1.00 0.00 C ATOM 477 CG ASP A 58 -10.004 -9.934 4.638 1.00 0.00 C ATOM 478 OD1 ASP A 58 -10.182 -8.856 5.249 1.00 0.00 O ATOM 479 OD2 ASP A 58 -10.866 -10.839 4.618 1.00 0.00 O ATOM 0 H ASP A 58 -10.351 -10.219 1.930 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.557 -8.282 2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.594 -11.213 3.655 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.864 -9.891 4.544 1.00 0.00 H new ATOM 480 N THR A 59 -6.939 -10.583 1.071 1.00 0.00 N ATOM 481 CA THR A 59 -5.665 -10.843 0.333 1.00 0.00 C ATOM 482 C THR A 59 -5.019 -9.631 -0.415 1.00 0.00 C ATOM 483 O THR A 59 -3.813 -9.673 -0.663 1.00 0.00 O ATOM 484 CB THR A 59 -5.762 -12.063 -0.630 1.00 0.00 C ATOM 485 OG1 THR A 59 -6.545 -11.753 -1.780 1.00 0.00 O ATOM 486 CG2 THR A 59 -6.289 -13.379 -0.027 1.00 0.00 C ATOM 0 H THR A 59 -7.708 -11.185 0.776 1.00 0.00 H new ATOM 0 HA THR A 59 -4.983 -11.068 1.153 1.00 0.00 H new ATOM 0 HB THR A 59 -4.719 -12.248 -0.885 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.587 -12.536 -2.368 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.309 -14.150 -0.797 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.635 -13.695 0.786 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.297 -13.225 0.358 1.00 0.00 H new ATOM 487 N TYR A 60 -5.788 -8.580 -0.773 1.00 0.00 N ATOM 488 CA TYR A 60 -5.227 -7.287 -1.228 1.00 0.00 C ATOM 489 C TYR A 60 -6.242 -6.191 -0.809 1.00 0.00 C ATOM 490 O TYR A 60 -7.275 -6.003 -1.461 1.00 0.00 O ATOM 491 CB TYR A 60 -4.914 -7.295 -2.759 1.00 0.00 C ATOM 492 CG TYR A 60 -3.429 -7.051 -3.063 1.00 0.00 C ATOM 493 CD1 TYR A 60 -2.940 -5.742 -3.028 1.00 0.00 C ATOM 494 CD2 TYR A 60 -2.541 -8.113 -3.273 1.00 0.00 C ATOM 495 CE1 TYR A 60 -1.577 -5.497 -3.160 1.00 0.00 C ATOM 496 CE2 TYR A 60 -1.179 -7.860 -3.424 1.00 0.00 C ATOM 497 CZ TYR A 60 -0.701 -6.555 -3.348 1.00 0.00 C ATOM 498 OH TYR A 60 0.643 -6.313 -3.435 1.00 0.00 O ATOM 0 H TYR A 60 -6.808 -8.602 -0.756 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.262 -7.088 -0.762 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.214 -8.254 -3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.512 -6.528 -3.252 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.624 -4.916 -2.898 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.911 -9.127 -3.318 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.202 -4.485 -3.116 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.494 -8.676 -3.600 1.00 0.00 H new ATOM 0 HH TYR A 60 0.824 -5.746 -4.214 1.00 0.00 H new ATOM 499 N LYS A 61 -5.951 -5.503 0.311 1.00 0.00 N ATOM 500 CA LYS A 61 -6.902 -4.550 0.948 1.00 0.00 C ATOM 501 C LYS A 61 -6.114 -3.399 1.616 1.00 0.00 C ATOM 502 O LYS A 61 -5.267 -3.639 2.482 1.00 0.00 O ATOM 503 CB LYS A 61 -7.819 -5.324 1.934 1.00 0.00 C ATOM 504 CG LYS A 61 -8.949 -4.531 2.632 1.00 0.00 C ATOM 505 CD LYS A 61 -8.638 -3.919 4.018 1.00 0.00 C ATOM 506 CE LYS A 61 -8.632 -4.906 5.206 1.00 0.00 C ATOM 507 NZ LYS A 61 -7.401 -5.711 5.304 1.00 0.00 N ATOM 0 H LYS A 61 -5.061 -5.585 0.802 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.552 -4.091 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.275 -6.151 1.390 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.188 -5.761 2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.253 -3.722 1.967 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.808 -5.194 2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.663 -3.434 3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.372 -3.139 4.222 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.764 -4.346 6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.487 -5.576 5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.254 -6.002 6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.490 -6.555 4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.589 -5.144 4.986 1.00 0.00 H new ATOM 508 N LEU A 62 -6.406 -2.149 1.200 1.00 0.00 N ATOM 509 CA LEU A 62 -5.503 -0.993 1.456 1.00 0.00 C ATOM 510 C LEU A 62 -5.964 -0.223 2.727 1.00 0.00 C ATOM 511 O LEU A 62 -7.122 0.182 2.820 1.00 0.00 O ATOM 512 CB LEU A 62 -5.150 -0.133 0.188 1.00 0.00 C ATOM 513 CG LEU A 62 -5.457 -0.612 -1.272 1.00 0.00 C ATOM 514 CD1 LEU A 62 -4.762 0.284 -2.307 1.00 0.00 C ATOM 515 CD2 LEU A 62 -4.983 -2.051 -1.541 1.00 0.00 C ATOM 0 H LEU A 62 -7.254 -1.909 0.687 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.512 -1.381 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.653 0.826 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.078 0.061 0.233 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.542 -0.560 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.993 -0.073 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.115 1.309 -2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.684 0.252 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.223 -2.327 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.905 -2.113 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.485 -2.734 -0.855 1.00 0.00 H new ATOM 516 N PHE A 63 -5.085 -0.040 3.737 1.00 0.00 N ATOM 517 CA PHE A 63 -5.435 0.668 4.999 1.00 0.00 C ATOM 518 C PHE A 63 -5.755 2.182 4.798 1.00 0.00 C ATOM 519 O PHE A 63 -5.250 2.833 3.874 1.00 0.00 O ATOM 520 CB PHE A 63 -4.246 0.464 5.970 1.00 0.00 C ATOM 521 CG PHE A 63 -4.509 0.801 7.445 1.00 0.00 C ATOM 522 CD1 PHE A 63 -5.267 -0.068 8.237 1.00 0.00 C ATOM 523 CD2 PHE A 63 -3.982 1.968 8.009 1.00 0.00 C ATOM 524 CE1 PHE A 63 -5.474 0.214 9.584 1.00 0.00 C ATOM 525 CE2 PHE A 63 -4.189 2.244 9.358 1.00 0.00 C ATOM 526 CZ PHE A 63 -4.930 1.368 10.145 1.00 0.00 C ATOM 0 H PHE A 63 -4.121 -0.373 3.707 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.357 0.249 5.403 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.928 -0.577 5.908 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.412 1.074 5.623 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.693 -0.960 7.802 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.415 2.655 7.398 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.056 -0.461 10.194 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.773 3.140 9.794 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.084 1.583 11.192 1.00 0.00 H new ATOM 527 N LYS A 64 -6.606 2.718 5.693 1.00 0.00 N ATOM 528 CA LYS A 64 -7.159 4.091 5.560 1.00 0.00 C ATOM 529 C LYS A 64 -6.163 5.253 5.830 1.00 0.00 C ATOM 530 O LYS A 64 -6.069 6.147 4.983 1.00 0.00 O ATOM 531 CB LYS A 64 -8.459 4.267 6.396 1.00 0.00 C ATOM 532 CG LYS A 64 -9.657 3.374 5.991 1.00 0.00 C ATOM 533 CD LYS A 64 -10.920 3.542 6.867 1.00 0.00 C ATOM 534 CE LYS A 64 -10.822 3.039 8.322 1.00 0.00 C ATOM 535 NZ LYS A 64 -10.774 1.567 8.430 1.00 0.00 N ATOM 0 H LYS A 64 -6.931 2.222 6.523 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.394 4.175 4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.223 4.071 7.442 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.771 5.309 6.330 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.919 3.591 4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.343 2.331 6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.181 4.600 6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.744 3.020 6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.929 3.459 8.785 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.678 3.410 8.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.709 1.294 9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.637 1.160 8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.942 1.208 7.919 1.00 0.00 H new ATOM 536 N ASN A 65 -5.407 5.245 6.952 1.00 0.00 N ATOM 537 CA ASN A 65 -4.341 6.227 7.245 1.00 0.00 C ATOM 538 C ASN A 65 -3.274 6.385 6.116 1.00 0.00 C ATOM 539 O ASN A 65 -2.901 7.509 5.763 1.00 0.00 O ATOM 540 CB ASN A 65 -3.620 5.954 8.599 1.00 0.00 C ATOM 541 CG ASN A 65 -4.464 6.039 9.893 1.00 0.00 C ATOM 542 OD1 ASN A 65 -5.584 5.538 9.984 1.00 0.00 O ATOM 543 ND2 ASN A 65 -3.922 6.646 10.939 1.00 0.00 N ATOM 0 H ASN A 65 -5.523 4.547 7.687 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.884 7.170 7.312 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.181 4.958 8.550 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.796 6.662 8.689 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.433 6.698 11.820 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.993 7.061 10.863 1.00 0.00 H new ATOM 544 N GLY A 66 -2.828 5.239 5.575 1.00 0.00 N ATOM 545 CA GLY A 66 -1.974 5.197 4.375 1.00 0.00 C ATOM 546 C GLY A 66 -1.046 3.987 4.434 1.00 0.00 C ATOM 547 O GLY A 66 0.126 4.133 4.786 1.00 0.00 O ATOM 0 H GLY A 66 -3.048 4.318 5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.594 5.147 3.480 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.387 6.113 4.305 1.00 0.00 H new ATOM 548 N THR A 67 -1.587 2.800 4.111 1.00 0.00 N ATOM 549 CA THR A 67 -0.843 1.514 4.173 1.00 0.00 C ATOM 550 C THR A 67 -1.605 0.525 3.226 1.00 0.00 C ATOM 551 O THR A 67 -2.596 0.841 2.558 1.00 0.00 O ATOM 552 CB THR A 67 -0.614 1.118 5.693 1.00 0.00 C ATOM 553 OG1 THR A 67 0.624 1.667 6.134 1.00 0.00 O ATOM 554 CG2 THR A 67 -0.605 -0.370 6.090 1.00 0.00 C ATOM 0 H THR A 67 -2.552 2.697 3.798 1.00 0.00 H new ATOM 0 HA THR A 67 0.179 1.533 3.795 1.00 0.00 H new ATOM 0 HB THR A 67 -1.507 1.523 6.170 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.720 2.579 5.787 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.436 -0.459 7.163 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.564 -0.820 5.835 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.192 -0.885 5.553 1.00 0.00 H new ATOM 555 N LEU A 68 -1.076 -0.696 3.145 1.00 0.00 N ATOM 556 CA LEU A 68 -1.730 -1.858 2.524 1.00 0.00 C ATOM 557 C LEU A 68 -1.483 -3.118 3.385 1.00 0.00 C ATOM 558 O LEU A 68 -0.446 -3.226 4.040 1.00 0.00 O ATOM 559 CB LEU A 68 -1.150 -1.951 1.099 1.00 0.00 C ATOM 560 CG LEU A 68 -1.791 -2.962 0.123 1.00 0.00 C ATOM 561 CD1 LEU A 68 -1.735 -2.410 -1.319 1.00 0.00 C ATOM 562 CD2 LEU A 68 -1.174 -4.363 0.157 1.00 0.00 C ATOM 0 H LEU A 68 -0.153 -0.915 3.520 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.814 -1.764 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.215 -0.962 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.091 -2.194 1.184 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.821 -3.079 0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.189 -3.129 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.280 -1.467 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.696 -2.244 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.687 -5.004 -0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.117 -4.302 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.278 -4.782 1.158 1.00 0.00 H new ATOM 563 N LYS A 69 -2.431 -4.075 3.348 1.00 0.00 N ATOM 564 CA LYS A 69 -2.256 -5.407 3.981 1.00 0.00 C ATOM 565 C LYS A 69 -2.633 -6.503 2.940 1.00 0.00 C ATOM 566 O LYS A 69 -3.784 -6.648 2.511 1.00 0.00 O ATOM 567 CB LYS A 69 -3.042 -5.552 5.312 1.00 0.00 C ATOM 568 CG LYS A 69 -2.606 -4.555 6.414 1.00 0.00 C ATOM 569 CD LYS A 69 -3.029 -4.907 7.858 1.00 0.00 C ATOM 570 CE LYS A 69 -2.000 -5.700 8.694 1.00 0.00 C ATOM 571 NZ LYS A 69 -1.761 -7.077 8.226 1.00 0.00 N ATOM 0 H LYS A 69 -3.332 -3.954 2.885 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.211 -5.528 4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.104 -5.414 5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.918 -6.568 5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.520 -4.468 6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.011 -3.573 6.168 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.257 -3.980 8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.953 -5.484 7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.054 -5.159 8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.342 -5.736 9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.640 -7.706 9.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.573 -7.397 7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.901 -7.101 7.641 1.00 0.00 H new ATOM 572 N ILE A 70 -1.600 -7.281 2.571 1.00 0.00 N ATOM 573 CA ILE A 70 -1.705 -8.512 1.745 1.00 0.00 C ATOM 574 C ILE A 70 -1.839 -9.635 2.809 1.00 0.00 C ATOM 575 O ILE A 70 -0.838 -9.957 3.453 1.00 0.00 O ATOM 576 CB ILE A 70 -0.432 -8.743 0.829 1.00 0.00 C ATOM 577 CG1 ILE A 70 0.050 -7.496 0.031 1.00 0.00 C ATOM 578 CG2 ILE A 70 -0.627 -9.946 -0.125 1.00 0.00 C ATOM 579 CD1 ILE A 70 1.334 -7.614 -0.814 1.00 0.00 C ATOM 0 H ILE A 70 -0.640 -7.071 2.843 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.538 -8.469 1.043 1.00 0.00 H new ATOM 0 HB ILE A 70 0.366 -8.961 1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.759 -7.196 -0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.195 -6.683 0.742 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.266 -10.073 -0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.798 -10.850 0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.486 -9.763 -0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.534 -6.663 -1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.173 -7.871 -0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.204 -8.392 -1.566 1.00 0.00 H new ATOM 580 N LYS A 71 -3.042 -10.191 3.040 1.00 0.00 N ATOM 581 CA LYS A 71 -3.249 -11.190 4.129 1.00 0.00 C ATOM 582 C LYS A 71 -3.420 -12.579 3.466 1.00 0.00 C ATOM 583 O LYS A 71 -4.475 -12.874 2.896 1.00 0.00 O ATOM 584 CB LYS A 71 -4.479 -10.825 5.009 1.00 0.00 C ATOM 585 CG LYS A 71 -4.363 -9.518 5.827 1.00 0.00 C ATOM 586 CD LYS A 71 -5.566 -9.287 6.763 1.00 0.00 C ATOM 587 CE LYS A 71 -5.461 -7.974 7.557 1.00 0.00 C ATOM 588 NZ LYS A 71 -6.667 -7.735 8.372 1.00 0.00 N ATOM 0 H LYS A 71 -3.881 -9.976 2.501 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.388 -11.198 4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.354 -10.749 4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.663 -11.648 5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.448 -9.546 6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.274 -8.674 5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.483 -9.277 6.173 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.644 -10.122 7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.585 -8.008 8.204 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.316 -7.142 6.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.562 -6.842 8.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.500 -7.678 7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.791 -8.517 9.046 1.00 0.00 H new ATOM 589 N HIS A 72 -2.358 -13.407 3.526 1.00 0.00 N ATOM 590 CA HIS A 72 -2.247 -14.696 2.782 1.00 0.00 C ATOM 591 C HIS A 72 -1.933 -14.418 1.287 1.00 0.00 C ATOM 592 O HIS A 72 -2.818 -14.007 0.528 1.00 0.00 O ATOM 593 CB HIS A 72 -3.406 -15.732 2.906 1.00 0.00 C ATOM 594 CG HIS A 72 -3.799 -16.120 4.330 1.00 0.00 C ATOM 595 ND1 HIS A 72 -4.840 -15.533 5.037 1.00 0.00 N ATOM 596 CD2 HIS A 72 -3.169 -17.099 5.119 1.00 0.00 C ATOM 597 CE1 HIS A 72 -4.736 -16.211 6.221 1.00 0.00 C ATOM 598 NE2 HIS A 72 -3.770 -17.173 6.364 1.00 0.00 N ATOM 0 H HIS A 72 -1.538 -13.204 4.098 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.428 -15.200 3.294 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.285 -15.328 2.404 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.119 -16.636 2.369 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.335 -17.706 4.799 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.409 -15.990 7.036 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.555 -17.773 7.161 1.00 0.00 H new ATOM 599 N LEU A 73 -0.677 -14.665 0.884 1.00 0.00 N ATOM 600 CA LEU A 73 -0.242 -14.644 -0.516 1.00 0.00 C ATOM 601 C LEU A 73 -0.001 -16.097 -1.031 1.00 0.00 C ATOM 602 O LEU A 73 -0.448 -17.101 -0.482 1.00 0.00 O ATOM 603 CB LEU A 73 0.822 -13.516 -0.723 1.00 0.00 C ATOM 604 CG LEU A 73 2.249 -13.646 -0.117 1.00 0.00 C ATOM 605 CD1 LEU A 73 3.201 -14.513 -0.956 1.00 0.00 C ATOM 606 CD2 LEU A 73 2.865 -12.250 0.097 1.00 0.00 C ATOM 0 H LEU A 73 0.076 -14.888 1.535 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.010 -14.323 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.942 -13.382 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.391 -12.594 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 73 2.127 -14.156 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.176 -14.557 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.794 -15.520 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.310 -14.078 -1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.864 -12.354 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.929 -11.730 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.238 -11.677 0.780 1.00 0.00 H new ATOM 607 N LYS A 74 0.553 -16.078 -2.225 1.00 0.00 N ATOM 608 CA LYS A 74 0.981 -17.198 -3.113 1.00 0.00 C ATOM 609 C LYS A 74 1.515 -16.453 -4.397 1.00 0.00 C ATOM 610 O LYS A 74 1.534 -15.218 -4.516 1.00 0.00 O ATOM 611 CB LYS A 74 -0.125 -18.252 -3.463 1.00 0.00 C ATOM 612 CG LYS A 74 -0.289 -19.463 -2.515 1.00 0.00 C ATOM 613 CD LYS A 74 -1.583 -20.273 -2.726 1.00 0.00 C ATOM 614 CE LYS A 74 -1.643 -21.056 -4.051 1.00 0.00 C ATOM 615 NZ LYS A 74 -2.887 -21.841 -4.140 1.00 0.00 N ATOM 0 H LYS A 74 0.748 -15.182 -2.671 1.00 0.00 H new ATOM 0 HA LYS A 74 1.722 -17.821 -2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.081 -17.731 -3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.080 -18.634 -4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.565 -20.128 -2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.262 -19.107 -1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.695 -20.975 -1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.433 -19.592 -2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.584 -20.363 -4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.782 -21.721 -4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.906 -22.360 -5.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.929 -22.516 -3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.705 -21.201 -4.092 1.00 0.00 H new ATOM 616 N THR A 75 1.904 -17.220 -5.430 1.00 0.00 N ATOM 617 CA THR A 75 2.225 -16.692 -6.773 1.00 0.00 C ATOM 618 C THR A 75 1.049 -16.001 -7.535 1.00 0.00 C ATOM 619 O THR A 75 1.247 -14.951 -8.150 1.00 0.00 O ATOM 620 CB THR A 75 3.010 -17.728 -7.633 1.00 0.00 C ATOM 621 OG1 THR A 75 4.111 -18.262 -6.901 1.00 0.00 O ATOM 622 CG2 THR A 75 3.602 -17.168 -8.941 1.00 0.00 C ATOM 0 H THR A 75 2.006 -18.232 -5.359 1.00 0.00 H new ATOM 0 HA THR A 75 2.898 -15.856 -6.584 1.00 0.00 H new ATOM 0 HB THR A 75 2.260 -18.479 -7.882 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.590 -18.911 -7.457 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.129 -17.961 -9.471 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.798 -16.784 -9.569 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.298 -16.362 -8.709 1.00 0.00 H new ATOM 623 N ASP A 76 -0.151 -16.592 -7.472 1.00 0.00 N ATOM 624 CA ASP A 76 -1.400 -15.981 -8.019 1.00 0.00 C ATOM 625 C ASP A 76 -2.064 -14.851 -7.164 1.00 0.00 C ATOM 626 O ASP A 76 -2.767 -14.011 -7.736 1.00 0.00 O ATOM 627 CB ASP A 76 -2.377 -17.139 -8.363 1.00 0.00 C ATOM 628 CG ASP A 76 -3.556 -16.757 -9.270 1.00 0.00 C ATOM 629 OD1 ASP A 76 -3.384 -16.745 -10.510 1.00 0.00 O ATOM 630 OD2 ASP A 76 -4.653 -16.462 -8.748 1.00 0.00 O ATOM 0 H ASP A 76 -0.298 -17.506 -7.044 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.119 -15.423 -8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.813 -17.937 -8.846 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.773 -17.546 -7.433 1.00 0.00 H new ATOM 631 N ASP A 77 -1.824 -14.793 -5.841 1.00 0.00 N ATOM 632 CA ASP A 77 -2.186 -13.618 -4.995 1.00 0.00 C ATOM 633 C ASP A 77 -1.390 -12.305 -5.293 1.00 0.00 C ATOM 634 O ASP A 77 -1.915 -11.242 -4.945 1.00 0.00 O ATOM 635 CB ASP A 77 -2.039 -14.023 -3.499 1.00 0.00 C ATOM 636 CG ASP A 77 -3.129 -14.965 -2.964 1.00 0.00 C ATOM 637 OD1 ASP A 77 -3.018 -16.195 -3.154 1.00 0.00 O ATOM 638 OD2 ASP A 77 -4.097 -14.475 -2.346 1.00 0.00 O ATOM 0 H ASP A 77 -1.377 -15.549 -5.322 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.217 -13.365 -5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.069 -14.502 -3.363 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.035 -13.117 -2.893 1.00 0.00 H new ATOM 639 N GLN A 78 -0.174 -12.340 -5.901 1.00 0.00 N ATOM 640 CA GLN A 78 0.687 -11.120 -6.019 1.00 0.00 C ATOM 641 C GLN A 78 0.676 -10.391 -7.400 1.00 0.00 C ATOM 642 O GLN A 78 0.115 -10.880 -8.385 1.00 0.00 O ATOM 643 CB GLN A 78 2.108 -11.458 -5.508 1.00 0.00 C ATOM 644 CG GLN A 78 2.946 -12.555 -6.211 1.00 0.00 C ATOM 645 CD GLN A 78 3.391 -12.331 -7.669 1.00 0.00 C ATOM 646 OE1 GLN A 78 2.626 -12.515 -8.615 1.00 0.00 O ATOM 647 NE2 GLN A 78 4.644 -11.977 -7.897 1.00 0.00 N ATOM 0 H GLN A 78 0.231 -13.181 -6.312 1.00 0.00 H new ATOM 0 HA GLN A 78 0.235 -10.360 -5.381 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.690 -10.537 -5.538 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.016 -11.743 -4.460 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.843 -12.718 -5.614 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.370 -13.480 -6.180 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.281 -11.824 -7.115 1.00 0.00 H new ATOM 0 HE22 GLN A 78 4.974 -11.857 -8.855 1.00 0.00 H new ATOM 648 N ASP A 79 1.331 -9.205 -7.441 1.00 0.00 N ATOM 649 CA ASP A 79 1.556 -8.425 -8.690 1.00 0.00 C ATOM 650 C ASP A 79 2.742 -7.407 -8.536 1.00 0.00 C ATOM 651 O ASP A 79 3.232 -7.131 -7.438 1.00 0.00 O ATOM 652 CB ASP A 79 0.251 -7.662 -9.071 1.00 0.00 C ATOM 653 CG ASP A 79 0.026 -7.530 -10.585 1.00 0.00 C ATOM 654 OD1 ASP A 79 -0.344 -8.538 -11.227 1.00 0.00 O ATOM 655 OD2 ASP A 79 0.219 -6.426 -11.139 1.00 0.00 O ATOM 0 H ASP A 79 1.720 -8.759 -6.610 1.00 0.00 H new ATOM 0 HA ASP A 79 1.822 -9.126 -9.481 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.602 -8.179 -8.631 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.283 -6.666 -8.630 1.00 0.00 H new ATOM 656 N ILE A 80 3.115 -6.772 -9.667 1.00 0.00 N ATOM 657 CA ILE A 80 3.939 -5.529 -9.697 1.00 0.00 C ATOM 658 C ILE A 80 3.004 -4.298 -9.396 1.00 0.00 C ATOM 659 O ILE A 80 1.870 -4.238 -9.890 1.00 0.00 O ATOM 660 CB ILE A 80 4.707 -5.389 -11.068 1.00 0.00 C ATOM 661 CG1 ILE A 80 5.679 -6.548 -11.462 1.00 0.00 C ATOM 662 CG2 ILE A 80 5.555 -4.090 -11.097 1.00 0.00 C ATOM 663 CD1 ILE A 80 5.075 -7.882 -11.931 1.00 0.00 C ATOM 0 H ILE A 80 2.855 -7.104 -10.596 1.00 0.00 H new ATOM 0 HA ILE A 80 4.710 -5.572 -8.928 1.00 0.00 H new ATOM 0 HB ILE A 80 3.888 -5.397 -11.787 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.329 -6.181 -12.256 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.314 -6.756 -10.601 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.075 -4.016 -12.052 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.902 -3.226 -10.972 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.285 -4.114 -10.288 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.877 -8.582 -12.167 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.452 -8.298 -11.139 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.467 -7.714 -12.820 1.00 0.00 H new ATOM 664 N TYR A 81 3.495 -3.315 -8.605 1.00 0.00 N ATOM 665 CA TYR A 81 2.701 -2.106 -8.215 1.00 0.00 C ATOM 666 C TYR A 81 3.386 -0.755 -8.589 1.00 0.00 C ATOM 667 O TYR A 81 4.589 -0.663 -8.837 1.00 0.00 O ATOM 668 CB TYR A 81 2.338 -2.148 -6.692 1.00 0.00 C ATOM 669 CG TYR A 81 1.159 -3.083 -6.364 1.00 0.00 C ATOM 670 CD1 TYR A 81 -0.184 -2.682 -6.441 1.00 0.00 C ATOM 671 CD2 TYR A 81 1.451 -4.430 -6.151 1.00 0.00 C ATOM 672 CE1 TYR A 81 -1.193 -3.645 -6.445 1.00 0.00 C ATOM 673 CE2 TYR A 81 0.454 -5.388 -6.221 1.00 0.00 C ATOM 674 CZ TYR A 81 -0.871 -4.998 -6.400 1.00 0.00 C ATOM 675 OH TYR A 81 -1.863 -5.944 -6.448 1.00 0.00 O ATOM 0 H TYR A 81 4.439 -3.328 -8.219 1.00 0.00 H new ATOM 0 HA TYR A 81 1.784 -2.146 -8.803 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.213 -2.469 -6.127 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.095 -1.140 -6.357 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.435 -1.633 -6.497 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.465 -4.729 -5.929 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.228 -3.339 -6.483 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.703 -6.436 -6.137 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.047 -6.271 -5.543 1.00 0.00 H new ATOM 676 N LYS A 82 2.565 0.311 -8.585 1.00 0.00 N ATOM 677 CA LYS A 82 3.031 1.711 -8.446 1.00 0.00 C ATOM 678 C LYS A 82 2.015 2.406 -7.498 1.00 0.00 C ATOM 679 O LYS A 82 0.808 2.407 -7.756 1.00 0.00 O ATOM 680 CB LYS A 82 3.137 2.406 -9.834 1.00 0.00 C ATOM 681 CG LYS A 82 3.525 3.903 -9.800 1.00 0.00 C ATOM 682 CD LYS A 82 3.678 4.536 -11.195 1.00 0.00 C ATOM 683 CE LYS A 82 4.054 6.028 -11.125 1.00 0.00 C ATOM 684 NZ LYS A 82 4.291 6.588 -12.468 1.00 0.00 N ATOM 0 H LYS A 82 1.553 0.229 -8.678 1.00 0.00 H new ATOM 0 HA LYS A 82 4.036 1.767 -8.027 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.873 1.871 -10.434 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.179 2.308 -10.344 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.767 4.453 -9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.463 4.014 -9.256 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.443 3.997 -11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.744 4.425 -11.746 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.255 6.583 -10.634 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.949 6.151 -10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.542 7.594 -12.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.070 6.073 -12.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.428 6.492 -13.041 1.00 0.00 H new ATOM 685 N VAL A 83 2.524 3.056 -6.434 1.00 0.00 N ATOM 686 CA VAL A 83 1.709 3.960 -5.575 1.00 0.00 C ATOM 687 C VAL A 83 1.514 5.360 -6.234 1.00 0.00 C ATOM 688 O VAL A 83 2.430 5.909 -6.861 1.00 0.00 O ATOM 689 CB VAL A 83 2.292 4.034 -4.125 1.00 0.00 C ATOM 690 CG1 VAL A 83 3.603 4.841 -3.956 1.00 0.00 C ATOM 691 CG2 VAL A 83 1.257 4.511 -3.088 1.00 0.00 C ATOM 0 H VAL A 83 3.498 2.977 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 83 0.710 3.535 -5.484 1.00 0.00 H new ATOM 0 HB VAL A 83 2.555 2.994 -3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.910 4.822 -2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.385 4.398 -4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.438 5.873 -4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.719 4.542 -2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.906 5.507 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.413 3.821 -3.072 1.00 0.00 H new ATOM 692 N SER A 84 0.322 5.940 -6.006 1.00 0.00 N ATOM 693 CA SER A 84 0.077 7.386 -6.222 1.00 0.00 C ATOM 694 C SER A 84 -0.824 7.902 -5.072 1.00 0.00 C ATOM 695 O SER A 84 -1.838 7.297 -4.714 1.00 0.00 O ATOM 696 CB SER A 84 -0.583 7.699 -7.579 1.00 0.00 C ATOM 697 OG SER A 84 0.063 7.055 -8.673 1.00 0.00 O ATOM 0 H SER A 84 -0.495 5.429 -5.670 1.00 0.00 H new ATOM 0 HA SER A 84 1.044 7.889 -6.230 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.628 7.391 -7.548 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.573 8.777 -7.742 1.00 0.00 H new ATOM 0 HG SER A 84 -0.569 6.452 -9.117 1.00 0.00 H new ATOM 698 N ILE A 85 -0.428 9.045 -4.507 1.00 0.00 N ATOM 699 CA ILE A 85 -1.079 9.642 -3.300 1.00 0.00 C ATOM 700 C ILE A 85 -1.662 11.013 -3.741 1.00 0.00 C ATOM 701 O ILE A 85 -1.000 11.820 -4.394 1.00 0.00 O ATOM 702 CB ILE A 85 -0.108 9.687 -2.059 1.00 0.00 C ATOM 703 CG1 ILE A 85 0.233 8.236 -1.602 1.00 0.00 C ATOM 704 CG2 ILE A 85 -0.664 10.499 -0.855 1.00 0.00 C ATOM 705 CD1 ILE A 85 1.246 8.062 -0.468 1.00 0.00 C ATOM 0 H ILE A 85 0.353 9.597 -4.861 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.897 9.023 -2.933 1.00 0.00 H new ATOM 0 HB ILE A 85 0.790 10.207 -2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.696 7.754 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.605 7.691 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.060 10.484 -0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.843 11.529 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.600 10.054 -0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.381 7.000 -0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.200 8.499 -0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.879 8.563 0.428 1.00 0.00 H new ATOM 706 N TYR A 86 -2.927 11.242 -3.358 1.00 0.00 N ATOM 707 CA TYR A 86 -3.710 12.450 -3.741 1.00 0.00 C ATOM 708 C TYR A 86 -4.312 13.063 -2.442 1.00 0.00 C ATOM 709 O TYR A 86 -4.509 12.388 -1.425 1.00 0.00 O ATOM 710 CB TYR A 86 -4.771 12.139 -4.845 1.00 0.00 C ATOM 711 CG TYR A 86 -4.324 11.336 -6.090 1.00 0.00 C ATOM 712 CD1 TYR A 86 -4.261 9.940 -6.012 1.00 0.00 C ATOM 713 CD2 TYR A 86 -4.002 11.966 -7.300 1.00 0.00 C ATOM 714 CE1 TYR A 86 -3.888 9.185 -7.118 1.00 0.00 C ATOM 715 CE2 TYR A 86 -3.646 11.202 -8.410 1.00 0.00 C ATOM 716 CZ TYR A 86 -3.583 9.814 -8.319 1.00 0.00 C ATOM 717 OH TYR A 86 -3.216 9.071 -9.412 1.00 0.00 O ATOM 0 H TYR A 86 -3.449 10.594 -2.768 1.00 0.00 H new ATOM 0 HA TYR A 86 -3.060 13.192 -4.204 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.589 11.594 -4.375 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.178 13.089 -5.191 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.504 9.445 -5.084 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.030 13.043 -7.372 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.835 8.109 -7.044 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -3.418 11.689 -9.346 1.00 0.00 H new ATOM 0 HH TYR A 86 -3.039 9.668 -10.169 1.00 0.00 H new ATOM 718 N ASP A 87 -4.578 14.379 -2.457 1.00 0.00 N ATOM 719 CA ASP A 87 -4.988 15.134 -1.237 1.00 0.00 C ATOM 720 C ASP A 87 -6.507 14.954 -0.890 1.00 0.00 C ATOM 721 O ASP A 87 -7.226 14.197 -1.555 1.00 0.00 O ATOM 722 CB ASP A 87 -4.558 16.622 -1.425 1.00 0.00 C ATOM 723 CG ASP A 87 -3.049 16.898 -1.554 1.00 0.00 C ATOM 724 OD1 ASP A 87 -2.278 16.521 -0.646 1.00 0.00 O ATOM 725 OD2 ASP A 87 -2.632 17.498 -2.568 1.00 0.00 O ATOM 0 H ASP A 87 -4.519 14.954 -3.298 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.478 14.728 -0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.051 17.008 -2.317 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.937 17.195 -0.578 1.00 0.00 H new ATOM 726 N THR A 88 -7.019 15.671 0.141 1.00 0.00 N ATOM 727 CA THR A 88 -8.495 15.904 0.295 1.00 0.00 C ATOM 728 C THR A 88 -9.195 16.599 -0.922 1.00 0.00 C ATOM 729 O THR A 88 -10.312 16.213 -1.272 1.00 0.00 O ATOM 730 CB THR A 88 -8.947 16.549 1.647 1.00 0.00 C ATOM 731 OG1 THR A 88 -8.910 17.973 1.565 1.00 0.00 O ATOM 732 CG2 THR A 88 -8.296 16.083 2.963 1.00 0.00 C ATOM 0 H THR A 88 -6.450 16.096 0.873 1.00 0.00 H new ATOM 0 HA THR A 88 -8.857 14.876 0.317 1.00 0.00 H new ATOM 0 HB THR A 88 -9.961 16.160 1.739 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.577 18.341 2.410 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.728 16.635 3.798 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.476 15.017 3.100 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.222 16.267 2.923 1.00 0.00 H new ATOM 733 N LYS A 89 -8.533 17.589 -1.557 1.00 0.00 N ATOM 734 CA LYS A 89 -8.929 18.101 -2.897 1.00 0.00 C ATOM 735 C LYS A 89 -8.653 17.119 -4.085 1.00 0.00 C ATOM 736 O LYS A 89 -9.432 17.147 -5.044 1.00 0.00 O ATOM 737 CB LYS A 89 -8.267 19.479 -3.187 1.00 0.00 C ATOM 738 CG LYS A 89 -8.678 20.637 -2.245 1.00 0.00 C ATOM 739 CD LYS A 89 -8.187 22.024 -2.710 1.00 0.00 C ATOM 740 CE LYS A 89 -8.561 23.139 -1.715 1.00 0.00 C ATOM 741 NZ LYS A 89 -8.131 24.467 -2.186 1.00 0.00 N ATOM 0 H LYS A 89 -7.716 18.056 -1.164 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.012 18.208 -2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.185 19.359 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.506 19.767 -4.211 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.765 20.656 -2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.285 20.438 -1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.105 22.000 -2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.617 22.251 -3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.640 23.141 -1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.102 22.931 -0.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.402 25.188 -1.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.098 24.474 -2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.589 24.678 -3.096 1.00 0.00 H new ATOM 742 N GLY A 90 -7.583 16.288 -4.061 1.00 0.00 N ATOM 743 CA GLY A 90 -7.218 15.413 -5.195 1.00 0.00 C ATOM 744 C GLY A 90 -6.117 16.041 -6.070 1.00 0.00 C ATOM 745 O GLY A 90 -6.389 16.449 -7.201 1.00 0.00 O ATOM 0 H GLY A 90 -6.955 16.207 -3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.876 14.450 -4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.101 15.220 -5.804 1.00 0.00 H new ATOM 746 N LYS A 91 -4.890 16.116 -5.522 1.00 0.00 N ATOM 747 CA LYS A 91 -3.713 16.711 -6.209 1.00 0.00 C ATOM 748 C LYS A 91 -2.502 15.783 -5.943 1.00 0.00 C ATOM 749 O LYS A 91 -2.192 15.455 -4.790 1.00 0.00 O ATOM 750 CB LYS A 91 -3.404 18.152 -5.711 1.00 0.00 C ATOM 751 CG LYS A 91 -4.414 19.262 -6.089 1.00 0.00 C ATOM 752 CD LYS A 91 -4.635 19.546 -7.595 1.00 0.00 C ATOM 753 CE LYS A 91 -3.453 20.177 -8.360 1.00 0.00 C ATOM 754 NZ LYS A 91 -2.431 19.199 -8.779 1.00 0.00 N ATOM 0 H LYS A 91 -4.679 15.766 -4.587 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.924 16.793 -7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.324 18.124 -4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.426 18.440 -6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.378 19.003 -5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.088 20.189 -5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.895 18.607 -8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.496 20.206 -7.694 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.835 20.691 -9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.984 20.932 -7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.976 19.526 -9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.715 19.104 -8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.881 18.277 -8.947 1.00 0.00 H new ATOM 755 N ASN A 92 -1.812 15.372 -7.024 1.00 0.00 N ATOM 756 CA ASN A 92 -0.881 14.205 -6.997 1.00 0.00 C ATOM 757 C ASN A 92 0.435 14.652 -6.287 1.00 0.00 C ATOM 758 O ASN A 92 1.153 15.524 -6.789 1.00 0.00 O ATOM 759 CB ASN A 92 -0.519 13.611 -8.404 1.00 0.00 C ATOM 760 CG ASN A 92 -1.054 14.259 -9.705 1.00 0.00 C ATOM 761 OD1 ASN A 92 -0.347 15.031 -10.352 1.00 0.00 O ATOM 762 ND2 ASN A 92 -2.283 13.986 -10.108 1.00 0.00 N ATOM 0 H ASN A 92 -1.876 15.827 -7.935 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.401 13.408 -6.466 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.569 13.601 -8.476 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.848 12.572 -8.406 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.648 14.416 -10.958 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.866 13.346 -9.569 1.00 0.00 H new ATOM 763 N VAL A 93 0.720 14.056 -5.120 1.00 0.00 N ATOM 764 CA VAL A 93 1.860 14.449 -4.253 1.00 0.00 C ATOM 765 C VAL A 93 2.971 13.374 -4.437 1.00 0.00 C ATOM 766 O VAL A 93 3.855 13.537 -5.285 1.00 0.00 O ATOM 767 CB VAL A 93 1.407 14.802 -2.784 1.00 0.00 C ATOM 768 CG1 VAL A 93 1.023 16.290 -2.640 1.00 0.00 C ATOM 769 CG2 VAL A 93 0.329 13.915 -2.114 1.00 0.00 C ATOM 0 H VAL A 93 0.170 13.285 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 93 2.303 15.399 -4.551 1.00 0.00 H new ATOM 0 HB VAL A 93 2.314 14.571 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.717 16.489 -1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.881 16.913 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.199 16.520 -3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.126 14.285 -1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.587 13.947 -2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.688 12.887 -2.056 1.00 0.00 H new ATOM 770 N LEU A 94 2.899 12.285 -3.661 1.00 0.00 N ATOM 771 CA LEU A 94 3.963 11.246 -3.596 1.00 0.00 C ATOM 772 C LEU A 94 3.625 10.092 -4.588 1.00 0.00 C ATOM 773 O LEU A 94 2.592 9.428 -4.457 1.00 0.00 O ATOM 774 CB LEU A 94 4.119 10.782 -2.114 1.00 0.00 C ATOM 775 CG LEU A 94 5.452 10.124 -1.645 1.00 0.00 C ATOM 776 CD1 LEU A 94 5.728 8.728 -2.240 1.00 0.00 C ATOM 777 CD2 LEU A 94 6.674 11.052 -1.812 1.00 0.00 C ATOM 0 H LEU A 94 2.103 12.089 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 94 4.930 11.641 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.945 11.652 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.317 10.073 -1.909 1.00 0.00 H new ATOM 0 HG LEU A 94 5.297 9.965 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.676 8.350 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.925 8.047 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.778 8.799 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.571 10.537 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.788 11.318 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.527 11.957 -1.223 1.00 0.00 H new ATOM 778 N GLU A 95 4.512 9.884 -5.580 1.00 0.00 N ATOM 779 CA GLU A 95 4.359 8.825 -6.622 1.00 0.00 C ATOM 780 C GLU A 95 5.703 8.045 -6.736 1.00 0.00 C ATOM 781 O GLU A 95 6.781 8.650 -6.788 1.00 0.00 O ATOM 782 CB GLU A 95 3.937 9.438 -7.990 1.00 0.00 C ATOM 783 CG GLU A 95 2.500 10.008 -8.019 1.00 0.00 C ATOM 784 CD GLU A 95 2.049 10.531 -9.384 1.00 0.00 C ATOM 785 OE1 GLU A 95 2.543 11.595 -9.820 1.00 0.00 O ATOM 786 OE2 GLU A 95 1.184 9.889 -10.020 1.00 0.00 O ATOM 0 H GLU A 95 5.359 10.441 -5.690 1.00 0.00 H new ATOM 0 HA GLU A 95 3.565 8.137 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.636 10.234 -8.249 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.027 8.672 -8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.808 9.230 -7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.430 10.818 -7.293 1.00 0.00 H new ATOM 787 N LYS A 96 5.647 6.695 -6.743 1.00 0.00 N ATOM 788 CA LYS A 96 6.859 5.837 -6.605 1.00 0.00 C ATOM 789 C LYS A 96 6.514 4.386 -7.055 1.00 0.00 C ATOM 790 O LYS A 96 5.414 3.881 -6.812 1.00 0.00 O ATOM 791 CB LYS A 96 7.387 5.897 -5.140 1.00 0.00 C ATOM 792 CG LYS A 96 8.723 5.161 -4.879 1.00 0.00 C ATOM 793 CD LYS A 96 9.121 5.117 -3.391 1.00 0.00 C ATOM 794 CE LYS A 96 10.393 4.295 -3.097 1.00 0.00 C ATOM 795 NZ LYS A 96 11.634 5.032 -3.404 1.00 0.00 N ATOM 0 H LYS A 96 4.778 6.170 -6.842 1.00 0.00 H new ATOM 0 HA LYS A 96 7.659 6.203 -7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.509 6.943 -4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.627 5.477 -4.482 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.647 4.141 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.515 5.652 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.272 6.137 -3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.293 4.700 -2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.398 4.006 -2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.368 3.375 -3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.456 4.433 -3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.646 5.286 -4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.675 5.897 -2.828 1.00 0.00 H new ATOM 796 N ILE A 97 7.483 3.710 -7.697 1.00 0.00 N ATOM 797 CA ILE A 97 7.280 2.359 -8.311 1.00 0.00 C ATOM 798 C ILE A 97 7.681 1.250 -7.263 1.00 0.00 C ATOM 799 O ILE A 97 8.456 1.485 -6.329 1.00 0.00 O ATOM 800 CB ILE A 97 7.970 2.275 -9.731 1.00 0.00 C ATOM 801 CG1 ILE A 97 7.714 3.530 -10.637 1.00 0.00 C ATOM 802 CG2 ILE A 97 7.534 0.995 -10.490 1.00 0.00 C ATOM 803 CD1 ILE A 97 8.441 3.596 -11.992 1.00 0.00 C ATOM 0 H ILE A 97 8.430 4.071 -7.812 1.00 0.00 H new ATOM 0 HA ILE A 97 6.229 2.173 -8.535 1.00 0.00 H new ATOM 0 HB ILE A 97 9.040 2.241 -9.526 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.643 3.592 -10.828 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.988 4.417 -10.066 1.00 0.00 H new ATOM 0 HG21 ILE A 97 8.024 0.964 -11.463 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.818 0.115 -9.913 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.453 1.005 -10.629 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.168 4.517 -12.507 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.518 3.577 -11.828 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.152 2.740 -12.602 1.00 0.00 H new ATOM 804 N PHE A 98 7.067 0.058 -7.380 1.00 0.00 N ATOM 805 CA PHE A 98 7.141 -1.053 -6.371 1.00 0.00 C ATOM 806 C PHE A 98 6.962 -2.448 -7.057 1.00 0.00 C ATOM 807 O PHE A 98 6.581 -2.521 -8.232 1.00 0.00 O ATOM 808 CB PHE A 98 6.020 -0.844 -5.312 1.00 0.00 C ATOM 809 CG PHE A 98 6.374 0.150 -4.197 1.00 0.00 C ATOM 810 CD1 PHE A 98 6.989 -0.305 -3.029 1.00 0.00 C ATOM 811 CD2 PHE A 98 6.071 1.508 -4.334 1.00 0.00 C ATOM 812 CE1 PHE A 98 7.290 0.590 -2.004 1.00 0.00 C ATOM 813 CE2 PHE A 98 6.404 2.404 -3.322 1.00 0.00 C ATOM 814 CZ PHE A 98 7.004 1.943 -2.155 1.00 0.00 C ATOM 0 H PHE A 98 6.491 -0.180 -8.188 1.00 0.00 H new ATOM 0 HA PHE A 98 8.121 -1.033 -5.895 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.120 -0.497 -5.819 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.780 -1.807 -4.860 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.232 -1.352 -2.920 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.578 1.863 -5.227 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.745 0.233 -1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.196 3.457 -3.443 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.248 2.637 -1.364 1.00 0.00 H new ATOM 815 N ASP A 99 7.228 -3.575 -6.343 1.00 0.00 N ATOM 816 CA ASP A 99 7.130 -4.936 -6.952 1.00 0.00 C ATOM 817 C ASP A 99 6.902 -5.987 -5.830 1.00 0.00 C ATOM 818 O ASP A 99 7.893 -6.342 -5.181 1.00 0.00 O ATOM 819 CB ASP A 99 8.431 -5.326 -7.736 1.00 0.00 C ATOM 820 CG ASP A 99 8.736 -4.657 -9.082 1.00 0.00 C ATOM 821 OD1 ASP A 99 9.232 -3.512 -9.092 1.00 0.00 O ATOM 822 OD2 ASP A 99 8.521 -5.295 -10.138 1.00 0.00 O ATOM 0 H ASP A 99 7.507 -3.573 -5.362 1.00 0.00 H new ATOM 0 HA ASP A 99 6.296 -4.920 -7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.278 -5.134 -7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.398 -6.402 -7.907 1.00 0.00 H new ATOM 823 N LEU A 100 5.695 -6.603 -5.632 1.00 0.00 N ATOM 824 CA LEU A 100 5.627 -7.860 -4.825 1.00 0.00 C ATOM 825 C LEU A 100 6.191 -9.041 -5.679 1.00 0.00 C ATOM 826 O LEU A 100 5.640 -9.372 -6.733 1.00 0.00 O ATOM 827 CB LEU A 100 4.212 -8.149 -4.251 1.00 0.00 C ATOM 828 CG LEU A 100 4.088 -9.135 -3.044 1.00 0.00 C ATOM 829 CD1 LEU A 100 4.679 -10.549 -3.241 1.00 0.00 C ATOM 830 CD2 LEU A 100 4.639 -8.549 -1.728 1.00 0.00 C ATOM 0 H LEU A 100 4.803 -6.271 -5.998 1.00 0.00 H new ATOM 0 HA LEU A 100 6.250 -7.735 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.775 -7.197 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.597 -8.538 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 100 3.007 -9.261 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.530 -11.135 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.179 -11.039 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.746 -10.471 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.525 -9.280 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.695 -8.308 -1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.087 -7.644 -1.474 1.00 0.00 H new ATOM 831 N LYS A 101 7.301 -9.633 -5.204 1.00 0.00 N ATOM 832 CA LYS A 101 7.999 -10.774 -5.862 1.00 0.00 C ATOM 833 C LYS A 101 8.028 -12.024 -4.931 1.00 0.00 C ATOM 834 O LYS A 101 7.901 -11.918 -3.707 1.00 0.00 O ATOM 835 CB LYS A 101 9.447 -10.330 -6.220 1.00 0.00 C ATOM 836 CG LYS A 101 9.599 -9.330 -7.390 1.00 0.00 C ATOM 837 CD LYS A 101 9.799 -9.952 -8.791 1.00 0.00 C ATOM 838 CE LYS A 101 8.607 -10.706 -9.414 1.00 0.00 C ATOM 839 NZ LYS A 101 7.452 -9.835 -9.707 1.00 0.00 N ATOM 0 H LYS A 101 7.753 -9.335 -4.340 1.00 0.00 H new ATOM 0 HA LYS A 101 7.460 -11.053 -6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.896 -9.885 -5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.027 -11.222 -6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.712 -8.697 -7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.448 -8.680 -7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.086 -9.154 -9.475 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.641 -10.642 -8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.933 -11.188 -10.336 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.292 -11.498 -8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.686 -10.402 -10.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.117 -9.394 -8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.738 -9.094 -10.378 1.00 0.00 H new ATOM 840 N ILE A 102 8.212 -13.219 -5.531 1.00 0.00 N ATOM 841 CA ILE A 102 8.171 -14.520 -4.796 1.00 0.00 C ATOM 842 C ILE A 102 9.612 -15.107 -4.709 1.00 0.00 C ATOM 843 O ILE A 102 10.306 -15.265 -5.719 1.00 0.00 O ATOM 844 CB ILE A 102 7.118 -15.510 -5.412 1.00 0.00 C ATOM 845 CG1 ILE A 102 5.666 -14.957 -5.462 1.00 0.00 C ATOM 846 CG2 ILE A 102 7.051 -16.901 -4.730 1.00 0.00 C ATOM 847 CD1 ILE A 102 4.984 -14.676 -4.109 1.00 0.00 C ATOM 0 H ILE A 102 8.392 -13.319 -6.530 1.00 0.00 H new ATOM 0 HA ILE A 102 7.824 -14.352 -3.776 1.00 0.00 H new ATOM 0 HB ILE A 102 7.507 -15.622 -6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.674 -14.031 -6.037 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.050 -15.668 -6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.296 -17.513 -5.224 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.022 -17.391 -4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.788 -16.779 -3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.977 -14.295 -4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.929 -15.598 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.563 -13.936 -3.557 1.00 0.00 H new ATOM 848 N GLN A 103 10.009 -15.480 -3.475 1.00 0.00 N ATOM 849 CA GLN A 103 11.314 -16.130 -3.177 1.00 0.00 C ATOM 850 C GLN A 103 11.465 -17.534 -3.840 1.00 0.00 C ATOM 851 O GLN A 103 10.509 -18.311 -3.947 1.00 0.00 O ATOM 852 CB GLN A 103 11.473 -16.257 -1.633 1.00 0.00 C ATOM 853 CG GLN A 103 11.892 -14.971 -0.882 1.00 0.00 C ATOM 854 CD GLN A 103 13.408 -14.677 -0.926 1.00 0.00 C ATOM 855 OE1 GLN A 103 14.244 -15.560 -0.733 1.00 0.00 O ATOM 856 NE2 GLN A 103 13.800 -13.432 -1.140 1.00 0.00 N ATOM 0 H GLN A 103 9.432 -15.340 -2.646 1.00 0.00 H new ATOM 0 HA GLN A 103 12.097 -15.501 -3.600 1.00 0.00 H new ATOM 0 HB2 GLN A 103 10.526 -16.603 -1.218 1.00 0.00 H new ATOM 0 HB3 GLN A 103 12.213 -17.031 -1.427 1.00 0.00 H new ATOM 0 HG2 GLN A 103 11.356 -14.123 -1.309 1.00 0.00 H new ATOM 0 HG3 GLN A 103 11.579 -15.053 0.159 1.00 0.00 H new ATOM 0 HE21 GLN A 103 13.108 -12.700 -1.300 1.00 0.00 H new ATOM 0 HE22 GLN A 103 14.794 -13.204 -1.145 1.00 0.00 H new ATOM 857 N GLU A 104 12.703 -17.819 -4.272 1.00 0.00 N ATOM 858 CA GLU A 104 13.083 -19.110 -4.900 1.00 0.00 C ATOM 859 C GLU A 104 14.430 -19.532 -4.264 1.00 0.00 C ATOM 860 O GLU A 104 15.519 -19.173 -4.723 1.00 0.00 O ATOM 861 CB GLU A 104 13.070 -19.071 -6.451 1.00 0.00 C ATOM 862 CG GLU A 104 13.765 -17.885 -7.166 1.00 0.00 C ATOM 863 CD GLU A 104 13.634 -17.932 -8.691 1.00 0.00 C ATOM 864 OE1 GLU A 104 12.495 -17.880 -9.208 1.00 0.00 O ATOM 865 OE2 GLU A 104 14.672 -18.009 -9.384 1.00 0.00 O ATOM 0 H GLU A 104 13.479 -17.161 -4.198 1.00 0.00 H new ATOM 0 HA GLU A 104 12.336 -19.877 -4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.532 -19.991 -6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.029 -19.089 -6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.339 -16.950 -6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.822 -17.879 -6.900 1.00 0.00 H new ATOM 866 N ARG A 105 14.289 -20.264 -3.149 1.00 0.00 N ATOM 867 CA ARG A 105 15.413 -20.596 -2.241 1.00 0.00 C ATOM 868 C ARG A 105 15.219 -22.058 -1.785 1.00 0.00 C ATOM 869 O ARG A 105 14.370 -22.332 -0.903 1.00 0.00 O ATOM 870 CB ARG A 105 15.465 -19.567 -1.075 1.00 0.00 C ATOM 871 CG ARG A 105 16.776 -19.603 -0.257 1.00 0.00 C ATOM 872 CD ARG A 105 16.823 -18.611 0.922 1.00 0.00 C ATOM 873 NE ARG A 105 15.987 -19.058 2.064 1.00 0.00 N ATOM 874 CZ ARG A 105 15.773 -18.337 3.181 1.00 0.00 C ATOM 875 NH1 ARG A 105 16.239 -17.104 3.375 1.00 0.00 N ATOM 876 NH2 ARG A 105 15.059 -18.888 4.144 1.00 0.00 N ATOM 877 OXT ARG A 105 15.917 -22.947 -2.322 1.00 0.00 O ATOM 0 H ARG A 105 13.394 -20.646 -2.845 1.00 0.00 H new ATOM 0 HA ARG A 105 16.383 -20.526 -2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 105 15.332 -18.565 -1.483 1.00 0.00 H new ATOM 0 HB3 ARG A 105 14.626 -19.752 -0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 105 16.921 -20.612 0.128 1.00 0.00 H new ATOM 0 HG3 ARG A 105 17.612 -19.394 -0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 105 17.854 -18.492 1.254 1.00 0.00 H new ATOM 0 HD3 ARG A 105 16.482 -17.632 0.585 1.00 0.00 H new ATOM 0 HE ARG A 105 15.544 -19.974 1.998 1.00 0.00 H new ATOM 0 HH11 ARG A 105 16.796 -16.650 2.651 1.00 0.00 H new ATOM 0 HH12 ARG A 105 16.039 -16.614 4.247 1.00 0.00 H new ATOM 0 HH21 ARG A 105 14.689 -19.831 4.028 1.00 0.00 H new ATOM 0 HH22 ARG A 105 14.877 -18.371 5.004 1.00 0.00 H new