USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 869 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 119 GLN : amide:sc= -0.3 X(o=0.19,f=0.42) USER MOD Set 1.2: A 122 SER OG : rot -21:sc= 0.471 USER MOD Set 1.3: A 123 THR OG1 : rot 76:sc= 0.0234! USER MOD Set 2.1: A 114 ASN :FLIP amide:sc= -0.949 F(o=-8.6,f=-4.9) USER MOD Set 2.2: A 117 HIS : no HD1:sc= -3.97 K(o=-4.9,f=-8.6!) USER MOD Set 3.1: A 109 ASN : amide:sc= -1.64 K(o=-3.6,f=-7.8!) USER MOD Set 3.2: A 115 THR OG1 : rot -171:sc= -1.99! USER MOD Set 4.1: A 80 GLN : amide:sc= -0.744 X(o=-2.7,f=-2.6) USER MOD Set 4.2: A 83 HIS : no HD1:sc= -1.98 K(o=-2.7,f=-7.3!) USER MOD Set 5.1: A 30 THR OG1 : rot -90:sc= -0.437 USER MOD Set 5.2: A 121 GLN : amide:sc= 0 X(o=-0.44,f=-0.44) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.0519 X(o=-0.052,f=-0.052) USER MOD Single : A 42 THR OG1 : rot 138:sc= -0.194 USER MOD Single : A 49 ASN :FLIP amide:sc= -2.85! C(o=-4.6!,f=-2.8!) USER MOD Single : A 51 MET CE :methyl -172:sc= -6.43! (180deg=-6.58!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot -61:sc= -0.0437 USER MOD Single : A 65 ASN : amide:sc= -0.464 K(o=-0.46,f=-2.2!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -2.41! C(o=-9.2!,f=-2.4!) USER MOD Single : A 71 SER OG : rot 71:sc= -3.67! USER MOD Single : A 73 GLN : amide:sc= -0.0471 X(o=-0.047,f=-0.047) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.051) USER MOD Single : A 81 ASN : amide:sc= -0.314 K(o=-0.31,f=-2.2) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -1.49! C(o=-1.5!,f=-5.6!) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.264 F(o=-1.4,f=-0.26) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 80:sc= -1.77! USER MOD Single : A 101 LYS NZ :NH3+ 168:sc= -0.0267 (180deg=-0.217) USER MOD Single : A 103 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-3.4!) USER MOD Single : A 116 ASN : amide:sc= -0.613 K(o=-0.61,f=-6.1!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -2.74! C(o=-2.7!,f=-6.3!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 166:sc= -0.0416 (180deg=-0.302) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 27 -16.363 -8.931 -8.804 1.00 0.00 N ATOM 2 CA MET A 27 -15.095 -8.249 -8.441 1.00 0.00 C ATOM 3 C MET A 27 -14.275 -7.908 -9.684 1.00 0.00 C ATOM 4 O MET A 27 -14.132 -8.732 -10.587 1.00 0.00 O ATOM 5 CB MET A 27 -14.294 -9.171 -7.518 1.00 0.00 C ATOM 6 CG MET A 27 -15.025 -9.532 -6.236 1.00 0.00 C ATOM 7 SD MET A 27 -15.435 -8.087 -5.239 1.00 0.00 S ATOM 8 CE MET A 27 -16.267 -8.856 -3.851 1.00 0.00 C ATOM 0 HA MET A 27 -15.325 -7.313 -7.933 1.00 0.00 H new ATOM 0 HB2 MET A 27 -14.048 -10.086 -8.057 1.00 0.00 H new ATOM 0 HB3 MET A 27 -13.351 -8.687 -7.265 1.00 0.00 H new ATOM 0 HG2 MET A 27 -15.941 -10.069 -6.484 1.00 0.00 H new ATOM 0 HG3 MET A 27 -14.406 -10.210 -5.648 1.00 0.00 H new ATOM 0 HE1 MET A 27 -16.582 -8.088 -3.144 1.00 0.00 H new ATOM 0 HE2 MET A 27 -17.141 -9.401 -4.207 1.00 0.00 H new ATOM 0 HE3 MET A 27 -15.585 -9.547 -3.356 1.00 0.00 H new ATOM 20 N PRO A 28 -13.724 -6.682 -9.748 1.00 0.00 N ATOM 21 CA PRO A 28 -12.917 -6.237 -10.890 1.00 0.00 C ATOM 22 C PRO A 28 -11.700 -7.128 -11.118 1.00 0.00 C ATOM 23 O PRO A 28 -10.975 -7.456 -10.178 1.00 0.00 O ATOM 24 CB PRO A 28 -12.475 -4.823 -10.498 1.00 0.00 C ATOM 25 CG PRO A 28 -13.444 -4.389 -9.451 1.00 0.00 C ATOM 26 CD PRO A 28 -13.843 -5.636 -8.717 1.00 0.00 C ATOM 0 HA PRO A 28 -13.482 -6.274 -11.822 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.454 -4.821 -10.116 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.495 -4.152 -11.356 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.989 -3.666 -8.774 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.312 -3.905 -9.899 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.188 -5.831 -7.867 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -14.859 -5.567 -8.328 1.00 0.00 H new ATOM 34 N GLN A 29 -11.480 -7.514 -12.370 1.00 0.00 N ATOM 35 CA GLN A 29 -10.349 -8.366 -12.720 1.00 0.00 C ATOM 36 C GLN A 29 -9.027 -7.657 -12.446 1.00 0.00 C ATOM 37 O GLN A 29 -8.835 -6.506 -12.841 1.00 0.00 O ATOM 38 CB GLN A 29 -10.429 -8.780 -14.191 1.00 0.00 C ATOM 39 CG GLN A 29 -10.446 -7.605 -15.156 1.00 0.00 C ATOM 40 CD GLN A 29 -10.527 -8.042 -16.606 1.00 0.00 C ATOM 41 OE1 GLN A 29 -11.479 -8.708 -17.013 1.00 0.00 O ATOM 42 NE2 GLN A 29 -9.525 -7.669 -17.392 1.00 0.00 N ATOM 0 H GLN A 29 -12.070 -7.251 -13.159 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.394 -9.260 -12.098 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.578 -9.420 -14.426 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.328 -9.377 -14.343 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.296 -6.963 -14.926 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.546 -7.007 -15.010 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.756 -7.117 -17.011 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.524 -7.934 -18.377 1.00 0.00 H new ATOM 51 N THR A 30 -8.120 -8.348 -11.765 1.00 0.00 N ATOM 52 CA THR A 30 -6.816 -7.785 -11.437 1.00 0.00 C ATOM 53 C THR A 30 -5.952 -7.618 -12.684 1.00 0.00 C ATOM 54 O THR A 30 -5.661 -8.591 -13.381 1.00 0.00 O ATOM 55 CB THR A 30 -6.067 -8.666 -10.418 1.00 0.00 C ATOM 56 OG1 THR A 30 -4.737 -8.174 -10.225 1.00 0.00 O ATOM 57 CG2 THR A 30 -6.015 -10.114 -10.883 1.00 0.00 C ATOM 0 H THR A 30 -8.264 -9.300 -11.429 1.00 0.00 H new ATOM 0 HA THR A 30 -6.998 -6.805 -10.997 1.00 0.00 H new ATOM 0 HB THR A 30 -6.609 -8.625 -9.473 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.133 -8.603 -10.867 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.481 -10.714 -10.146 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.029 -10.496 -10.996 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.497 -10.170 -11.840 1.00 0.00 H new ATOM 65 N GLU A 31 -5.539 -6.379 -12.953 1.00 0.00 N ATOM 66 CA GLU A 31 -4.700 -6.081 -14.113 1.00 0.00 C ATOM 67 C GLU A 31 -4.456 -4.573 -14.230 1.00 0.00 C ATOM 68 O GLU A 31 -4.027 -3.934 -13.269 1.00 0.00 O ATOM 69 CB GLU A 31 -5.344 -6.627 -15.395 1.00 0.00 C ATOM 70 CG GLU A 31 -4.403 -6.667 -16.592 1.00 0.00 C ATOM 71 CD GLU A 31 -3.219 -7.593 -16.383 1.00 0.00 C ATOM 72 OE1 GLU A 31 -2.420 -7.338 -15.458 1.00 0.00 O ATOM 73 OE2 GLU A 31 -3.092 -8.574 -17.145 1.00 0.00 O ATOM 0 H GLU A 31 -5.772 -5.566 -12.383 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.736 -6.572 -13.976 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.714 -7.634 -15.203 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.208 -6.012 -15.646 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.958 -6.989 -17.473 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.039 -5.660 -16.795 1.00 0.00 H new ATOM 80 N ARG A 32 -4.726 -4.008 -15.408 1.00 0.00 N ATOM 81 CA ARG A 32 -4.527 -2.582 -15.642 1.00 0.00 C ATOM 82 C ARG A 32 -5.334 -1.743 -14.657 1.00 0.00 C ATOM 83 O ARG A 32 -4.881 -0.689 -14.213 1.00 0.00 O ATOM 84 CB ARG A 32 -4.919 -2.222 -17.075 1.00 0.00 C ATOM 85 CG ARG A 32 -4.671 -0.764 -17.420 1.00 0.00 C ATOM 86 CD ARG A 32 -5.046 -0.462 -18.859 1.00 0.00 C ATOM 87 NE ARG A 32 -4.262 -1.252 -19.805 1.00 0.00 N ATOM 88 CZ ARG A 32 -4.400 -1.169 -21.126 1.00 0.00 C ATOM 89 NH1 ARG A 32 -5.286 -0.335 -21.654 1.00 0.00 N ATOM 90 NH2 ARG A 32 -3.649 -1.921 -21.920 1.00 0.00 N ATOM 0 H ARG A 32 -5.084 -4.520 -16.215 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.470 -2.362 -15.492 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.359 -2.852 -17.766 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.975 -2.448 -17.223 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.249 -0.127 -16.751 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.620 -0.524 -17.259 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.106 -0.665 -19.008 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.894 0.599 -19.059 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.571 -1.903 -19.433 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.865 0.246 -21.047 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.389 -0.274 -22.667 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.966 -2.563 -21.518 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.755 -1.857 -22.932 1.00 0.00 H new ATOM 104 N GLN A 33 -6.531 -2.215 -14.324 1.00 0.00 N ATOM 105 CA GLN A 33 -7.405 -1.507 -13.394 1.00 0.00 C ATOM 106 C GLN A 33 -6.655 -1.128 -12.120 1.00 0.00 C ATOM 107 O GLN A 33 -6.817 -0.025 -11.599 1.00 0.00 O ATOM 108 CB GLN A 33 -8.620 -2.369 -13.047 1.00 0.00 C ATOM 109 CG GLN A 33 -9.470 -2.735 -14.253 1.00 0.00 C ATOM 110 CD GLN A 33 -10.036 -1.519 -14.959 1.00 0.00 C ATOM 111 OE1 GLN A 33 -10.780 -0.734 -14.371 1.00 0.00 O ATOM 112 NE2 GLN A 33 -9.685 -1.356 -16.230 1.00 0.00 N ATOM 0 H GLN A 33 -6.919 -3.087 -14.685 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.743 -0.592 -13.879 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.280 -3.284 -12.562 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.239 -1.836 -12.325 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.868 -3.311 -14.956 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.289 -3.379 -13.933 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.066 -2.031 -16.679 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.035 -0.556 -16.757 1.00 0.00 H new ATOM 121 N LEU A 34 -5.836 -2.051 -11.626 1.00 0.00 N ATOM 122 CA LEU A 34 -5.059 -1.815 -10.412 1.00 0.00 C ATOM 123 C LEU A 34 -4.084 -0.654 -10.588 1.00 0.00 C ATOM 124 O LEU A 34 -3.982 0.216 -9.723 1.00 0.00 O ATOM 125 CB LEU A 34 -4.292 -3.080 -10.019 1.00 0.00 C ATOM 126 CG LEU A 34 -5.151 -4.226 -9.481 1.00 0.00 C ATOM 127 CD1 LEU A 34 -4.286 -5.441 -9.186 1.00 0.00 C ATOM 128 CD2 LEU A 34 -5.899 -3.791 -8.229 1.00 0.00 C ATOM 0 H LEU A 34 -5.692 -2.969 -12.047 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.759 -1.553 -9.618 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.743 -3.438 -10.890 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.553 -2.816 -9.263 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.883 -4.496 -10.243 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.911 -6.248 -8.804 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.792 -5.767 -10.101 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.534 -5.180 -8.441 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.505 -4.619 -7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.183 -3.496 -7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.546 -2.946 -8.467 1.00 0.00 H new ATOM 140 N ARG A 35 -3.362 -0.650 -11.704 1.00 0.00 N ATOM 141 CA ARG A 35 -2.388 0.402 -11.978 1.00 0.00 C ATOM 142 C ARG A 35 -3.066 1.759 -12.150 1.00 0.00 C ATOM 143 O ARG A 35 -2.760 2.707 -11.432 1.00 0.00 O ATOM 144 CB ARG A 35 -1.569 0.070 -13.231 1.00 0.00 C ATOM 145 CG ARG A 35 -0.641 -1.127 -13.074 1.00 0.00 C ATOM 146 CD ARG A 35 -1.412 -2.429 -12.921 1.00 0.00 C ATOM 147 NE ARG A 35 -0.524 -3.584 -12.806 1.00 0.00 N ATOM 148 CZ ARG A 35 0.310 -3.975 -13.767 1.00 0.00 C ATOM 149 NH1 ARG A 35 0.362 -3.317 -14.918 1.00 0.00 N ATOM 150 NH2 ARG A 35 1.091 -5.030 -13.578 1.00 0.00 N ATOM 0 H ARG A 35 -3.432 -1.361 -12.432 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.720 0.458 -11.119 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.253 -0.121 -14.058 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.975 0.942 -13.504 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.015 -1.194 -13.942 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.003 -0.979 -12.203 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.048 -2.372 -12.037 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.071 -2.563 -13.779 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.544 -4.122 -11.939 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.239 -2.507 -15.070 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.003 -3.621 -15.651 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.053 -5.542 -12.696 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.730 -5.330 -14.314 1.00 0.00 H new ATOM 164 N VAL A 36 -3.983 1.845 -13.107 1.00 0.00 N ATOM 165 CA VAL A 36 -4.697 3.090 -13.376 1.00 0.00 C ATOM 166 C VAL A 36 -5.330 3.659 -12.108 1.00 0.00 C ATOM 167 O VAL A 36 -5.350 4.872 -11.902 1.00 0.00 O ATOM 168 CB VAL A 36 -5.796 2.886 -14.438 1.00 0.00 C ATOM 169 CG1 VAL A 36 -6.550 4.184 -14.689 1.00 0.00 C ATOM 170 CG2 VAL A 36 -5.195 2.353 -15.730 1.00 0.00 C ATOM 0 H VAL A 36 -4.250 1.067 -13.711 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.959 3.798 -13.753 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.506 2.150 -14.061 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.321 4.017 -15.442 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.015 4.520 -13.762 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.855 4.946 -15.043 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.985 2.215 -16.469 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.462 3.064 -16.111 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.707 1.398 -15.537 1.00 0.00 H new ATOM 180 N TRP A 37 -5.854 2.774 -11.269 1.00 0.00 N ATOM 181 CA TRP A 37 -6.500 3.181 -10.026 1.00 0.00 C ATOM 182 C TRP A 37 -5.540 3.922 -9.089 1.00 0.00 C ATOM 183 O TRP A 37 -5.684 5.125 -8.871 1.00 0.00 O ATOM 184 CB TRP A 37 -7.100 1.946 -9.330 1.00 0.00 C ATOM 185 CG TRP A 37 -7.159 2.036 -7.830 1.00 0.00 C ATOM 186 CD1 TRP A 37 -7.475 3.131 -7.074 1.00 0.00 C ATOM 187 CD2 TRP A 37 -6.892 0.977 -6.905 1.00 0.00 C ATOM 188 NE1 TRP A 37 -7.388 2.822 -5.741 1.00 0.00 N ATOM 189 CE2 TRP A 37 -7.045 1.504 -5.610 1.00 0.00 C ATOM 190 CE3 TRP A 37 -6.533 -0.367 -7.047 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -6.852 0.736 -4.465 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -6.343 -1.128 -5.910 1.00 0.00 C ATOM 193 CH2 TRP A 37 -6.503 -0.576 -4.633 1.00 0.00 C ATOM 0 H TRP A 37 -5.844 1.766 -11.427 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.297 3.882 -10.274 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -8.109 1.786 -9.711 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.513 1.070 -9.605 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.752 4.097 -7.469 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.553 3.470 -4.971 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.407 -0.802 -8.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -6.973 1.161 -3.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.066 -2.167 -6.008 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -6.348 -1.198 -3.764 1.00 0.00 H new ATOM 204 N ILE A 38 -4.590 3.195 -8.509 1.00 0.00 N ATOM 205 CA ILE A 38 -3.646 3.786 -7.566 1.00 0.00 C ATOM 206 C ILE A 38 -2.718 4.802 -8.233 1.00 0.00 C ATOM 207 O ILE A 38 -2.559 5.919 -7.740 1.00 0.00 O ATOM 208 CB ILE A 38 -2.802 2.700 -6.874 1.00 0.00 C ATOM 209 CG1 ILE A 38 -3.711 1.646 -6.238 1.00 0.00 C ATOM 210 CG2 ILE A 38 -1.888 3.323 -5.826 1.00 0.00 C ATOM 211 CD1 ILE A 38 -2.961 0.480 -5.630 1.00 0.00 C ATOM 0 H ILE A 38 -4.453 2.198 -8.675 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.244 4.311 -6.821 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.180 2.212 -7.624 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.316 2.120 -5.465 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.399 1.269 -6.994 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.299 2.542 -5.346 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.220 4.039 -6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.491 3.835 -5.076 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.672 -0.225 -5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.377 -0.020 -6.403 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.293 0.844 -4.850 1.00 0.00 H new ATOM 223 N GLU A 39 -2.106 4.416 -9.349 1.00 0.00 N ATOM 224 CA GLU A 39 -1.197 5.309 -10.064 1.00 0.00 C ATOM 225 C GLU A 39 -1.900 6.608 -10.442 1.00 0.00 C ATOM 226 O GLU A 39 -1.349 7.695 -10.275 1.00 0.00 O ATOM 227 CB GLU A 39 -0.649 4.629 -11.322 1.00 0.00 C ATOM 228 CG GLU A 39 0.171 3.382 -11.036 1.00 0.00 C ATOM 229 CD GLU A 39 0.667 2.705 -12.298 1.00 0.00 C ATOM 230 OE1 GLU A 39 0.365 3.208 -13.402 1.00 0.00 O ATOM 231 OE2 GLU A 39 1.356 1.669 -12.185 1.00 0.00 O ATOM 0 H GLU A 39 -2.221 3.497 -9.776 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.365 5.542 -9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.482 4.364 -11.973 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.032 5.341 -11.869 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.024 3.649 -10.412 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.434 2.678 -10.465 1.00 0.00 H new ATOM 238 N GLY A 40 -3.121 6.484 -10.951 1.00 0.00 N ATOM 239 CA GLY A 40 -3.886 7.651 -11.345 1.00 0.00 C ATOM 240 C GLY A 40 -4.203 8.563 -10.176 1.00 0.00 C ATOM 241 O GLY A 40 -4.279 9.782 -10.335 1.00 0.00 O ATOM 0 H GLY A 40 -3.595 5.593 -11.098 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.328 8.210 -12.096 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.817 7.330 -11.813 1.00 0.00 H new ATOM 245 N ALA A 41 -4.397 7.970 -9.002 1.00 0.00 N ATOM 246 CA ALA A 41 -4.719 8.730 -7.798 1.00 0.00 C ATOM 247 C ALA A 41 -3.708 9.846 -7.551 1.00 0.00 C ATOM 248 O ALA A 41 -4.065 11.023 -7.525 1.00 0.00 O ATOM 249 CB ALA A 41 -4.781 7.802 -6.594 1.00 0.00 C ATOM 0 H ALA A 41 -4.337 6.962 -8.858 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.695 9.192 -7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.022 8.380 -5.702 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.550 7.047 -6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.816 7.314 -6.461 1.00 0.00 H new ATOM 255 N THR A 42 -2.447 9.469 -7.367 1.00 0.00 N ATOM 256 CA THR A 42 -1.389 10.443 -7.119 1.00 0.00 C ATOM 257 C THR A 42 -0.754 10.922 -8.419 1.00 0.00 C ATOM 258 O THR A 42 -0.719 12.119 -8.702 1.00 0.00 O ATOM 259 CB THR A 42 -0.294 9.856 -6.210 1.00 0.00 C ATOM 260 OG1 THR A 42 0.218 8.645 -6.781 1.00 0.00 O ATOM 261 CG2 THR A 42 -0.842 9.576 -4.818 1.00 0.00 C ATOM 0 H THR A 42 -2.133 8.499 -7.385 1.00 0.00 H new ATOM 0 HA THR A 42 -1.855 11.292 -6.619 1.00 0.00 H new ATOM 0 HB THR A 42 0.511 10.586 -6.126 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.193 8.626 -6.688 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.051 9.162 -4.192 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.205 10.504 -4.377 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.662 8.861 -4.887 1.00 0.00 H new ATOM 269 N GLY A 43 -0.248 9.976 -9.202 1.00 0.00 N ATOM 270 CA GLY A 43 0.387 10.312 -10.461 1.00 0.00 C ATOM 271 C GLY A 43 1.769 9.705 -10.576 1.00 0.00 C ATOM 272 O GLY A 43 2.710 10.362 -11.018 1.00 0.00 O ATOM 0 H GLY A 43 -0.267 8.979 -8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.233 9.961 -11.286 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.458 11.396 -10.554 1.00 0.00 H new ATOM 276 N ARG A 44 1.887 8.445 -10.168 1.00 0.00 N ATOM 277 CA ARG A 44 3.163 7.742 -10.216 1.00 0.00 C ATOM 278 C ARG A 44 2.986 6.345 -10.798 1.00 0.00 C ATOM 279 O ARG A 44 2.099 5.601 -10.383 1.00 0.00 O ATOM 280 CB ARG A 44 3.754 7.619 -8.811 1.00 0.00 C ATOM 281 CG ARG A 44 3.772 8.918 -8.023 1.00 0.00 C ATOM 282 CD ARG A 44 4.668 9.950 -8.678 1.00 0.00 C ATOM 283 NE ARG A 44 6.040 9.473 -8.831 1.00 0.00 N ATOM 284 CZ ARG A 44 6.837 9.161 -7.813 1.00 0.00 C ATOM 285 NH1 ARG A 44 6.405 9.288 -6.564 1.00 0.00 N ATOM 286 NH2 ARG A 44 8.067 8.725 -8.042 1.00 0.00 N ATOM 0 H ARG A 44 1.114 7.890 -9.801 1.00 0.00 H new ATOM 0 HA ARG A 44 3.838 8.316 -10.851 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.182 6.877 -8.253 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.774 7.242 -8.890 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.759 9.311 -7.944 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.119 8.725 -7.008 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.264 10.210 -9.657 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.667 10.861 -8.080 1.00 0.00 H new ATOM 0 HE ARG A 44 6.410 9.373 -9.776 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.460 9.626 -6.383 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.018 9.048 -5.785 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.404 8.628 -9.000 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.677 8.486 -7.260 1.00 0.00 H new ATOM 300 N ARG A 45 3.842 5.986 -11.747 1.00 0.00 N ATOM 301 CA ARG A 45 3.780 4.667 -12.366 1.00 0.00 C ATOM 302 C ARG A 45 4.488 3.634 -11.493 1.00 0.00 C ATOM 303 O ARG A 45 5.193 2.763 -11.998 1.00 0.00 O ATOM 304 CB ARG A 45 4.409 4.704 -13.760 1.00 0.00 C ATOM 305 CG ARG A 45 3.697 5.639 -14.724 1.00 0.00 C ATOM 306 CD ARG A 45 2.254 5.214 -14.951 1.00 0.00 C ATOM 307 NE ARG A 45 1.549 6.118 -15.857 1.00 0.00 N ATOM 308 CZ ARG A 45 1.318 7.401 -15.594 1.00 0.00 C ATOM 309 NH1 ARG A 45 1.720 7.932 -14.446 1.00 0.00 N ATOM 310 NH2 ARG A 45 0.678 8.155 -16.477 1.00 0.00 N ATOM 0 H ARG A 45 4.585 6.587 -12.104 1.00 0.00 H new ATOM 0 HA ARG A 45 2.733 4.379 -12.463 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.451 5.012 -13.671 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.408 3.697 -14.177 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.720 6.655 -14.331 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.227 5.654 -15.676 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.235 4.204 -15.360 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.732 5.181 -13.995 1.00 0.00 H new ATOM 0 HE ARG A 45 1.214 5.743 -16.744 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.209 7.356 -13.761 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.540 8.917 -14.249 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.362 7.751 -17.359 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.501 9.139 -16.274 1.00 0.00 H new ATOM 324 N ILE A 46 4.288 3.749 -10.180 1.00 0.00 N ATOM 325 CA ILE A 46 4.896 2.845 -9.209 1.00 0.00 C ATOM 326 C ILE A 46 6.419 2.978 -9.200 1.00 0.00 C ATOM 327 O ILE A 46 6.994 3.521 -8.257 1.00 0.00 O ATOM 328 CB ILE A 46 4.499 1.382 -9.487 1.00 0.00 C ATOM 329 CG1 ILE A 46 3.025 1.156 -9.140 1.00 0.00 C ATOM 330 CG2 ILE A 46 5.386 0.425 -8.705 1.00 0.00 C ATOM 331 CD1 ILE A 46 2.528 -0.235 -9.472 1.00 0.00 C ATOM 0 H ILE A 46 3.701 4.471 -9.762 1.00 0.00 H new ATOM 0 HA ILE A 46 4.519 3.129 -8.226 1.00 0.00 H new ATOM 0 HB ILE A 46 4.640 1.183 -10.549 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.879 1.340 -8.076 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.419 1.886 -9.676 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.088 -0.602 -8.916 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.425 0.569 -9.000 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.281 0.621 -7.638 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.476 -0.321 -9.199 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.641 -0.416 -10.541 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.108 -0.971 -8.916 1.00 0.00 H new ATOM 343 N GLY A 47 7.065 2.489 -10.253 1.00 0.00 N ATOM 344 CA GLY A 47 8.511 2.574 -10.338 1.00 0.00 C ATOM 345 C GLY A 47 9.111 1.486 -11.208 1.00 0.00 C ATOM 346 O GLY A 47 9.943 1.761 -12.073 1.00 0.00 O ATOM 0 H GLY A 47 6.614 2.036 -11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.791 3.549 -10.738 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.934 2.507 -9.336 1.00 0.00 H new ATOM 350 N ASP A 48 8.688 0.248 -10.972 1.00 0.00 N ATOM 351 CA ASP A 48 9.185 -0.896 -11.730 1.00 0.00 C ATOM 352 C ASP A 48 8.429 -2.163 -11.345 1.00 0.00 C ATOM 353 O ASP A 48 8.073 -2.351 -10.181 1.00 0.00 O ATOM 354 CB ASP A 48 10.683 -1.089 -11.484 1.00 0.00 C ATOM 355 CG ASP A 48 11.249 -2.266 -12.256 1.00 0.00 C ATOM 356 OD1 ASP A 48 11.171 -2.252 -13.501 1.00 0.00 O ATOM 357 OD2 ASP A 48 11.770 -3.201 -11.612 1.00 0.00 O ATOM 0 H ASP A 48 7.999 0.010 -10.258 1.00 0.00 H new ATOM 0 HA ASP A 48 9.023 -0.699 -12.790 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.215 -0.181 -11.769 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.857 -1.239 -10.419 1.00 0.00 H new ATOM 362 N ASN A 49 8.177 -3.023 -12.329 1.00 0.00 N ATOM 363 CA ASN A 49 7.454 -4.267 -12.088 1.00 0.00 C ATOM 364 C ASN A 49 6.040 -3.966 -11.587 1.00 0.00 C ATOM 365 O ASN A 49 5.280 -3.256 -12.246 1.00 0.00 O ATOM 366 CB ASN A 49 8.218 -5.140 -11.080 1.00 0.00 C ATOM 367 CG ASN A 49 7.621 -6.530 -10.917 1.00 0.00 C ATOM 368 OD1 ASN A 49 6.580 -6.832 -11.688 1.00 0.00 O flip ATOM 369 ND2 ASN A 49 8.097 -7.326 -10.109 1.00 0.00 N flip ATOM 0 H ASN A 49 8.462 -2.881 -13.298 1.00 0.00 H new ATOM 0 HA ASN A 49 7.375 -4.818 -13.025 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.255 -5.233 -11.402 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.229 -4.640 -10.111 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.896 -7.055 -9.536 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.692 -8.257 -10.012 1.00 0.00 H new ATOM 376 N PHE A 50 5.692 -4.501 -10.420 1.00 0.00 N ATOM 377 CA PHE A 50 4.378 -4.280 -9.835 1.00 0.00 C ATOM 378 C PHE A 50 4.419 -4.584 -8.344 1.00 0.00 C ATOM 379 O PHE A 50 3.896 -3.826 -7.530 1.00 0.00 O ATOM 380 CB PHE A 50 3.330 -5.160 -10.524 1.00 0.00 C ATOM 381 CG PHE A 50 1.922 -4.888 -10.074 1.00 0.00 C ATOM 382 CD1 PHE A 50 1.405 -3.602 -10.107 1.00 0.00 C ATOM 383 CD2 PHE A 50 1.115 -5.919 -9.620 1.00 0.00 C ATOM 384 CE1 PHE A 50 0.110 -3.349 -9.695 1.00 0.00 C ATOM 385 CE2 PHE A 50 -0.181 -5.672 -9.207 1.00 0.00 C ATOM 386 CZ PHE A 50 -0.684 -4.385 -9.244 1.00 0.00 C ATOM 0 H PHE A 50 6.306 -5.093 -9.861 1.00 0.00 H new ATOM 0 HA PHE A 50 4.101 -3.236 -9.979 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.393 -5.009 -11.602 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.567 -6.207 -10.335 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.022 -2.788 -10.459 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.503 -6.926 -9.588 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.280 -2.342 -9.726 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.800 -6.484 -8.856 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.696 -4.190 -8.921 1.00 0.00 H new ATOM 396 N MET A 51 5.060 -5.695 -7.998 1.00 0.00 N ATOM 397 CA MET A 51 5.195 -6.106 -6.605 1.00 0.00 C ATOM 398 C MET A 51 6.409 -5.433 -5.978 1.00 0.00 C ATOM 399 O MET A 51 6.350 -4.932 -4.856 1.00 0.00 O ATOM 400 CB MET A 51 5.346 -7.623 -6.518 1.00 0.00 C ATOM 401 CG MET A 51 4.392 -8.372 -7.430 1.00 0.00 C ATOM 402 SD MET A 51 2.661 -8.027 -7.067 1.00 0.00 S ATOM 403 CE MET A 51 2.555 -8.608 -5.380 1.00 0.00 C ATOM 0 H MET A 51 5.496 -6.330 -8.667 1.00 0.00 H new ATOM 0 HA MET A 51 4.299 -5.805 -6.062 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.370 -7.895 -6.772 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.178 -7.940 -5.489 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.601 -8.104 -8.466 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.572 -9.443 -7.335 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.514 -8.596 -5.056 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.942 -9.625 -5.321 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.144 -7.957 -4.733 1.00 0.00 H new ATOM 413 N ASP A 52 7.513 -5.428 -6.723 1.00 0.00 N ATOM 414 CA ASP A 52 8.752 -4.823 -6.264 1.00 0.00 C ATOM 415 C ASP A 52 8.573 -3.329 -6.004 1.00 0.00 C ATOM 416 O ASP A 52 9.121 -2.782 -5.048 1.00 0.00 O ATOM 417 CB ASP A 52 9.847 -5.046 -7.304 1.00 0.00 C ATOM 418 CG ASP A 52 10.135 -6.517 -7.541 1.00 0.00 C ATOM 419 OD1 ASP A 52 9.486 -7.362 -6.889 1.00 0.00 O ATOM 420 OD2 ASP A 52 11.010 -6.823 -8.378 1.00 0.00 O ATOM 0 H ASP A 52 7.569 -5.841 -7.654 1.00 0.00 H new ATOM 0 HA ASP A 52 9.039 -5.296 -5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.550 -4.581 -8.244 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.760 -4.549 -6.977 1.00 0.00 H new ATOM 425 N GLY A 53 7.804 -2.673 -6.866 1.00 0.00 N ATOM 426 CA GLY A 53 7.564 -1.249 -6.715 1.00 0.00 C ATOM 427 C GLY A 53 6.830 -0.914 -5.430 1.00 0.00 C ATOM 428 O GLY A 53 7.014 0.161 -4.862 1.00 0.00 O ATOM 0 H GLY A 53 7.342 -3.102 -7.668 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.517 -0.720 -6.733 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.983 -0.890 -7.565 1.00 0.00 H new ATOM 432 N LEU A 54 5.988 -1.835 -4.980 1.00 0.00 N ATOM 433 CA LEU A 54 5.212 -1.641 -3.758 1.00 0.00 C ATOM 434 C LEU A 54 6.097 -1.757 -2.515 1.00 0.00 C ATOM 435 O LEU A 54 5.802 -1.168 -1.474 1.00 0.00 O ATOM 436 CB LEU A 54 4.087 -2.678 -3.685 1.00 0.00 C ATOM 437 CG LEU A 54 3.156 -2.723 -4.900 1.00 0.00 C ATOM 438 CD1 LEU A 54 2.206 -3.906 -4.795 1.00 0.00 C ATOM 439 CD2 LEU A 54 2.371 -1.428 -5.030 1.00 0.00 C ATOM 0 H LEU A 54 5.823 -2.728 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 54 4.787 -0.638 -3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.533 -3.664 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.488 -2.478 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 54 3.769 -2.842 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.551 -3.925 -5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.780 -4.831 -4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.605 -3.811 -3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.717 -1.485 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.770 -1.275 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.062 -0.594 -5.149 1.00 0.00 H new ATOM 451 N LYS A 55 7.162 -2.548 -2.629 1.00 0.00 N ATOM 452 CA LYS A 55 8.087 -2.791 -1.518 1.00 0.00 C ATOM 453 C LYS A 55 8.448 -1.514 -0.758 1.00 0.00 C ATOM 454 O LYS A 55 8.236 -1.430 0.452 1.00 0.00 O ATOM 455 CB LYS A 55 9.362 -3.454 -2.039 1.00 0.00 C ATOM 456 CG LYS A 55 9.101 -4.687 -2.887 1.00 0.00 C ATOM 457 CD LYS A 55 10.392 -5.280 -3.426 1.00 0.00 C ATOM 458 CE LYS A 55 11.168 -6.000 -2.340 1.00 0.00 C ATOM 459 NZ LYS A 55 12.467 -6.529 -2.842 1.00 0.00 N ATOM 0 H LYS A 55 7.410 -3.038 -3.489 1.00 0.00 H new ATOM 0 HA LYS A 55 7.576 -3.451 -0.817 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.924 -2.730 -2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.990 -3.731 -1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.578 -5.435 -2.291 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.446 -4.426 -3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.165 -5.975 -4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.008 -4.488 -3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.351 -5.317 -1.511 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.568 -6.822 -1.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.966 -7.014 -2.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.292 -7.201 -3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.051 -5.742 -3.191 1.00 0.00 H new ATOM 473 N ASP A 56 9.003 -0.528 -1.458 1.00 0.00 N ATOM 474 CA ASP A 56 9.396 0.726 -0.817 1.00 0.00 C ATOM 475 C ASP A 56 8.209 1.403 -0.138 1.00 0.00 C ATOM 476 O ASP A 56 8.348 1.972 0.945 1.00 0.00 O ATOM 477 CB ASP A 56 10.045 1.679 -1.825 1.00 0.00 C ATOM 478 CG ASP A 56 9.232 1.835 -3.092 1.00 0.00 C ATOM 479 OD1 ASP A 56 9.107 0.845 -3.840 1.00 0.00 O ATOM 480 OD2 ASP A 56 8.721 2.949 -3.337 1.00 0.00 O ATOM 0 H ASP A 56 9.190 -0.571 -2.460 1.00 0.00 H new ATOM 0 HA ASP A 56 10.130 0.481 -0.049 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.177 2.656 -1.361 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.039 1.310 -2.079 1.00 0.00 H new ATOM 485 N GLY A 57 7.047 1.341 -0.778 1.00 0.00 N ATOM 486 CA GLY A 57 5.858 1.956 -0.217 1.00 0.00 C ATOM 487 C GLY A 57 5.937 3.469 -0.213 1.00 0.00 C ATOM 488 O GLY A 57 6.718 4.056 0.537 1.00 0.00 O ATOM 0 H GLY A 57 6.907 0.876 -1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.985 1.642 -0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.715 1.600 0.803 1.00 0.00 H new ATOM 492 N VAL A 58 5.113 4.097 -1.049 1.00 0.00 N ATOM 493 CA VAL A 58 5.064 5.555 -1.158 1.00 0.00 C ATOM 494 C VAL A 58 3.729 5.987 -1.747 1.00 0.00 C ATOM 495 O VAL A 58 2.955 6.695 -1.109 1.00 0.00 O ATOM 496 CB VAL A 58 6.182 6.113 -2.070 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.096 7.630 -2.146 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.561 5.683 -1.592 1.00 0.00 C ATOM 0 H VAL A 58 4.463 3.613 -1.668 1.00 0.00 H new ATOM 0 HA VAL A 58 5.199 5.948 -0.150 1.00 0.00 H new ATOM 0 HB VAL A 58 6.034 5.700 -3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.889 8.008 -2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.128 7.920 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.209 8.051 -1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.321 6.094 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.727 6.052 -0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.625 4.595 -1.596 1.00 0.00 H new ATOM 508 N ILE A 59 3.468 5.549 -2.971 1.00 0.00 N ATOM 509 CA ILE A 59 2.232 5.879 -3.656 1.00 0.00 C ATOM 510 C ILE A 59 1.033 5.286 -2.929 1.00 0.00 C ATOM 511 O ILE A 59 0.012 5.948 -2.760 1.00 0.00 O ATOM 512 CB ILE A 59 2.259 5.364 -5.108 1.00 0.00 C ATOM 513 CG1 ILE A 59 3.151 6.245 -5.990 1.00 0.00 C ATOM 514 CG2 ILE A 59 0.851 5.305 -5.683 1.00 0.00 C ATOM 515 CD1 ILE A 59 4.515 6.560 -5.416 1.00 0.00 C ATOM 0 H ILE A 59 4.103 4.960 -3.511 1.00 0.00 H new ATOM 0 HA ILE A 59 2.139 6.965 -3.664 1.00 0.00 H new ATOM 0 HB ILE A 59 2.676 4.357 -5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.285 5.751 -6.952 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.630 7.183 -6.183 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.892 4.939 -6.709 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.240 4.632 -5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.411 6.302 -5.671 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.068 7.188 -6.115 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.398 7.087 -4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.063 5.632 -5.250 1.00 0.00 H new ATOM 527 N LEU A 60 1.166 4.034 -2.499 1.00 0.00 N ATOM 528 CA LEU A 60 0.088 3.359 -1.786 1.00 0.00 C ATOM 529 C LEU A 60 -0.277 4.126 -0.525 1.00 0.00 C ATOM 530 O LEU A 60 -1.456 4.317 -0.222 1.00 0.00 O ATOM 531 CB LEU A 60 0.493 1.930 -1.425 1.00 0.00 C ATOM 532 CG LEU A 60 0.825 1.026 -2.613 1.00 0.00 C ATOM 533 CD1 LEU A 60 1.130 -0.385 -2.133 1.00 0.00 C ATOM 534 CD2 LEU A 60 -0.320 1.018 -3.616 1.00 0.00 C ATOM 0 H LEU A 60 2.005 3.470 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.782 3.322 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.361 1.971 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.317 1.473 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 60 1.710 1.419 -3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.365 -1.018 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.983 -0.362 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.262 -0.788 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.065 0.369 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.224 0.648 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.492 2.031 -3.980 1.00 0.00 H new ATOM 546 N CYS A 61 0.740 4.573 0.202 1.00 0.00 N ATOM 547 CA CYS A 61 0.520 5.329 1.425 1.00 0.00 C ATOM 548 C CYS A 61 -0.176 6.643 1.090 1.00 0.00 C ATOM 549 O CYS A 61 -1.047 7.110 1.823 1.00 0.00 O ATOM 550 CB CYS A 61 1.848 5.592 2.144 1.00 0.00 C ATOM 551 SG CYS A 61 2.708 7.091 1.611 1.00 0.00 S ATOM 0 H CYS A 61 1.721 4.425 -0.034 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.114 4.748 2.094 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.659 5.659 3.215 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.506 4.737 1.989 1.00 0.00 H new ATOM 0 HG CYS A 61 2.994 7.001 0.346 1.00 0.00 H new ATOM 557 N GLU A 62 0.217 7.224 -0.041 1.00 0.00 N ATOM 558 CA GLU A 62 -0.355 8.476 -0.514 1.00 0.00 C ATOM 559 C GLU A 62 -1.811 8.294 -0.939 1.00 0.00 C ATOM 560 O GLU A 62 -2.647 9.164 -0.699 1.00 0.00 O ATOM 561 CB GLU A 62 0.469 9.013 -1.685 1.00 0.00 C ATOM 562 CG GLU A 62 1.874 9.435 -1.296 1.00 0.00 C ATOM 563 CD GLU A 62 2.641 10.050 -2.450 1.00 0.00 C ATOM 564 OE1 GLU A 62 2.182 11.082 -2.985 1.00 0.00 O ATOM 565 OE2 GLU A 62 3.701 9.502 -2.818 1.00 0.00 O ATOM 0 H GLU A 62 0.938 6.840 -0.651 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.331 9.193 0.307 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.530 8.246 -2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.050 9.866 -2.122 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.820 10.153 -0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.419 8.568 -0.924 1.00 0.00 H new ATOM 572 N LEU A 63 -2.106 7.162 -1.574 1.00 0.00 N ATOM 573 CA LEU A 63 -3.457 6.871 -2.036 1.00 0.00 C ATOM 574 C LEU A 63 -4.451 6.929 -0.886 1.00 0.00 C ATOM 575 O LEU A 63 -5.383 7.734 -0.897 1.00 0.00 O ATOM 576 CB LEU A 63 -3.500 5.488 -2.689 1.00 0.00 C ATOM 577 CG LEU A 63 -4.901 4.956 -2.983 1.00 0.00 C ATOM 578 CD1 LEU A 63 -5.649 5.893 -3.920 1.00 0.00 C ATOM 579 CD2 LEU A 63 -4.828 3.556 -3.572 1.00 0.00 C ATOM 0 H LEU A 63 -1.425 6.431 -1.780 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.736 7.627 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.939 5.526 -3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.988 4.779 -2.038 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.450 4.906 -2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.644 5.494 -4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.737 6.876 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.103 5.981 -4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.836 3.194 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.258 3.581 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.338 2.888 -2.863 1.00 0.00 H new ATOM 591 N ILE A 64 -4.241 6.078 0.109 1.00 0.00 N ATOM 592 CA ILE A 64 -5.116 6.042 1.273 1.00 0.00 C ATOM 593 C ILE A 64 -5.095 7.386 1.987 1.00 0.00 C ATOM 594 O ILE A 64 -6.099 7.819 2.547 1.00 0.00 O ATOM 595 CB ILE A 64 -4.711 4.928 2.256 1.00 0.00 C ATOM 596 CG1 ILE A 64 -5.685 4.870 3.429 1.00 0.00 C ATOM 597 CG2 ILE A 64 -3.286 5.134 2.747 1.00 0.00 C ATOM 598 CD1 ILE A 64 -7.096 4.498 3.026 1.00 0.00 C ATOM 0 H ILE A 64 -3.475 5.405 0.134 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.125 5.830 0.919 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.752 3.974 1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.321 4.145 4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.701 5.840 3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.021 4.336 3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.603 5.119 1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.212 6.095 3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.733 4.476 3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.479 5.235 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.093 3.514 2.557 1.00 0.00 H new ATOM 610 N ASN A 65 -3.945 8.046 1.951 1.00 0.00 N ATOM 611 CA ASN A 65 -3.790 9.349 2.580 1.00 0.00 C ATOM 612 C ASN A 65 -4.820 10.326 2.022 1.00 0.00 C ATOM 613 O ASN A 65 -5.275 11.235 2.719 1.00 0.00 O ATOM 614 CB ASN A 65 -2.374 9.882 2.343 1.00 0.00 C ATOM 615 CG ASN A 65 -2.102 11.177 3.078 1.00 0.00 C ATOM 616 OD1 ASN A 65 -2.784 12.181 2.871 1.00 0.00 O ATOM 617 ND2 ASN A 65 -1.093 11.159 3.939 1.00 0.00 N ATOM 0 H ASN A 65 -3.104 7.698 1.491 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.951 9.244 3.653 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.651 9.131 2.660 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.224 10.038 1.275 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.854 12.001 4.463 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.556 10.303 4.077 1.00 0.00 H new ATOM 624 N LYS A 66 -5.184 10.126 0.758 1.00 0.00 N ATOM 625 CA LYS A 66 -6.154 10.969 0.088 1.00 0.00 C ATOM 626 C LYS A 66 -7.570 10.633 0.540 1.00 0.00 C ATOM 627 O LYS A 66 -8.326 11.509 0.961 1.00 0.00 O ATOM 628 CB LYS A 66 -6.035 10.772 -1.420 1.00 0.00 C ATOM 629 CG LYS A 66 -4.655 11.068 -1.977 1.00 0.00 C ATOM 630 CD LYS A 66 -4.277 12.524 -1.785 1.00 0.00 C ATOM 631 CE LYS A 66 -2.930 12.827 -2.413 1.00 0.00 C ATOM 632 NZ LYS A 66 -2.536 14.252 -2.230 1.00 0.00 N ATOM 0 H LYS A 66 -4.812 9.375 0.176 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.951 12.009 0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.300 9.743 -1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.761 11.414 -1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.919 10.432 -1.485 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.630 10.822 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.041 13.163 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.246 12.757 -0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.171 12.182 -1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.966 12.595 -3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.610 14.416 -2.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.247 14.868 -2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.476 14.468 -1.214 1.00 0.00 H new ATOM 646 N LEU A 67 -7.920 9.354 0.440 1.00 0.00 N ATOM 647 CA LEU A 67 -9.245 8.888 0.828 1.00 0.00 C ATOM 648 C LEU A 67 -9.440 8.991 2.337 1.00 0.00 C ATOM 649 O LEU A 67 -10.336 9.690 2.810 1.00 0.00 O ATOM 650 CB LEU A 67 -9.442 7.440 0.375 1.00 0.00 C ATOM 651 CG LEU A 67 -9.183 7.186 -1.112 1.00 0.00 C ATOM 652 CD1 LEU A 67 -9.367 5.712 -1.440 1.00 0.00 C ATOM 653 CD2 LEU A 67 -10.101 8.045 -1.970 1.00 0.00 C ATOM 0 H LEU A 67 -7.302 8.621 0.092 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.986 9.523 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.780 6.800 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.463 7.138 0.607 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.152 7.461 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.179 5.549 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.667 5.118 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.387 5.411 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.902 7.850 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.140 7.803 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.920 9.098 -1.755 1.00 0.00 H new ATOM 665 N GLN A 68 -8.594 8.291 3.085 1.00 0.00 N ATOM 666 CA GLN A 68 -8.671 8.306 4.538 1.00 0.00 C ATOM 667 C GLN A 68 -7.838 9.447 5.118 1.00 0.00 C ATOM 668 O GLN A 68 -6.702 9.676 4.702 1.00 0.00 O ATOM 669 CB GLN A 68 -8.198 6.972 5.118 1.00 0.00 C ATOM 670 CG GLN A 68 -8.294 6.905 6.634 1.00 0.00 C ATOM 671 CD GLN A 68 -7.732 5.618 7.213 1.00 0.00 C ATOM 672 OE1 GLN A 68 -7.234 4.738 6.351 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -7.744 5.418 8.428 1.00 0.00 N flip ATOM 0 H GLN A 68 -7.848 7.707 2.708 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.714 8.461 4.813 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.792 6.166 4.688 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.164 6.800 4.819 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.760 7.753 7.063 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.338 7.003 6.930 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.136 6.119 9.056 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.362 4.551 8.806 1.00 0.00 H new ATOM 682 N PRO A 69 -8.400 10.177 6.093 1.00 0.00 N ATOM 683 CA PRO A 69 -7.720 11.296 6.742 1.00 0.00 C ATOM 684 C PRO A 69 -6.581 10.841 7.650 1.00 0.00 C ATOM 685 O PRO A 69 -6.758 9.951 8.482 1.00 0.00 O ATOM 686 CB PRO A 69 -8.827 11.951 7.562 1.00 0.00 C ATOM 687 CG PRO A 69 -9.799 10.867 7.829 1.00 0.00 C ATOM 688 CD PRO A 69 -9.746 9.959 6.638 1.00 0.00 C ATOM 0 HA PRO A 69 -7.252 11.963 6.018 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.436 12.368 8.490 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.291 12.771 7.014 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.542 10.329 8.741 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.803 11.269 7.968 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.899 8.918 6.921 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.518 10.208 5.910 1.00 0.00 H new ATOM 696 N GLY A 70 -5.416 11.462 7.488 1.00 0.00 N ATOM 697 CA GLY A 70 -4.266 11.114 8.303 1.00 0.00 C ATOM 698 C GLY A 70 -3.906 9.643 8.218 1.00 0.00 C ATOM 699 O GLY A 70 -3.609 9.012 9.233 1.00 0.00 O ATOM 0 H GLY A 70 -5.248 12.201 6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.410 11.711 7.989 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.471 11.373 9.342 1.00 0.00 H new ATOM 703 N SER A 71 -3.929 9.097 7.006 1.00 0.00 N ATOM 704 CA SER A 71 -3.601 7.690 6.796 1.00 0.00 C ATOM 705 C SER A 71 -2.134 7.421 7.113 1.00 0.00 C ATOM 706 O SER A 71 -1.800 6.428 7.761 1.00 0.00 O ATOM 707 CB SER A 71 -3.900 7.287 5.353 1.00 0.00 C ATOM 708 OG SER A 71 -5.265 7.488 5.043 1.00 0.00 O ATOM 0 H SER A 71 -4.171 9.606 6.156 1.00 0.00 H new ATOM 0 HA SER A 71 -4.217 7.095 7.470 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.279 7.870 4.673 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.640 6.239 5.203 1.00 0.00 H new ATOM 0 HG SER A 71 -5.452 8.449 4.996 1.00 0.00 H new ATOM 714 N VAL A 72 -1.265 8.313 6.650 1.00 0.00 N ATOM 715 CA VAL A 72 0.169 8.180 6.877 1.00 0.00 C ATOM 716 C VAL A 72 0.789 9.538 7.195 1.00 0.00 C ATOM 717 O VAL A 72 0.381 10.560 6.645 1.00 0.00 O ATOM 718 CB VAL A 72 0.883 7.568 5.655 1.00 0.00 C ATOM 719 CG1 VAL A 72 2.362 7.366 5.946 1.00 0.00 C ATOM 720 CG2 VAL A 72 0.229 6.254 5.249 1.00 0.00 C ATOM 0 H VAL A 72 -1.530 9.139 6.113 1.00 0.00 H new ATOM 0 HA VAL A 72 0.300 7.510 7.726 1.00 0.00 H new ATOM 0 HB VAL A 72 0.790 8.264 4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.849 6.933 5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.821 8.327 6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.477 6.693 6.796 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.749 5.840 4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.285 5.548 6.078 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.816 6.431 4.993 1.00 0.00 H new ATOM 730 N GLN A 73 1.766 9.540 8.099 1.00 0.00 N ATOM 731 CA GLN A 73 2.434 10.773 8.508 1.00 0.00 C ATOM 732 C GLN A 73 3.192 11.423 7.347 1.00 0.00 C ATOM 733 O GLN A 73 2.755 11.372 6.197 1.00 0.00 O ATOM 734 CB GLN A 73 3.392 10.486 9.666 1.00 0.00 C ATOM 735 CG GLN A 73 2.706 9.917 10.898 1.00 0.00 C ATOM 736 CD GLN A 73 1.656 10.851 11.466 1.00 0.00 C ATOM 737 OE1 GLN A 73 1.956 11.981 11.850 1.00 0.00 O ATOM 738 NE2 GLN A 73 0.414 10.381 11.523 1.00 0.00 N ATOM 0 H GLN A 73 2.113 8.700 8.563 1.00 0.00 H new ATOM 0 HA GLN A 73 1.666 11.475 8.833 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.156 9.785 9.329 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.905 11.408 9.939 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.240 8.965 10.643 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.455 9.710 11.663 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.210 9.438 11.193 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.335 10.964 11.896 1.00 0.00 H new ATOM 747 N LYS A 74 4.329 12.041 7.663 1.00 0.00 N ATOM 748 CA LYS A 74 5.151 12.714 6.661 1.00 0.00 C ATOM 749 C LYS A 74 5.676 11.735 5.619 1.00 0.00 C ATOM 750 O LYS A 74 6.101 12.139 4.536 1.00 0.00 O ATOM 751 CB LYS A 74 6.320 13.435 7.334 1.00 0.00 C ATOM 752 CG LYS A 74 5.888 14.482 8.347 1.00 0.00 C ATOM 753 CD LYS A 74 7.085 15.165 8.989 1.00 0.00 C ATOM 754 CE LYS A 74 6.653 16.207 10.006 1.00 0.00 C ATOM 755 NZ LYS A 74 7.819 16.882 10.641 1.00 0.00 N ATOM 0 H LYS A 74 4.703 12.089 8.611 1.00 0.00 H new ATOM 0 HA LYS A 74 4.521 13.443 6.151 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.952 12.699 7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.930 13.913 6.568 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.262 15.228 7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.278 14.013 9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.713 14.419 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.692 15.638 8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.024 16.952 9.518 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.045 15.732 10.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.481 17.585 11.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.406 16.175 11.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.386 17.357 9.910 1.00 0.00 H new ATOM 769 N VAL A 75 5.654 10.451 5.960 1.00 0.00 N ATOM 770 CA VAL A 75 6.135 9.402 5.064 1.00 0.00 C ATOM 771 C VAL A 75 7.650 9.488 4.893 1.00 0.00 C ATOM 772 O VAL A 75 8.182 10.522 4.489 1.00 0.00 O ATOM 773 CB VAL A 75 5.465 9.493 3.678 1.00 0.00 C ATOM 774 CG1 VAL A 75 5.952 8.374 2.769 1.00 0.00 C ATOM 775 CG2 VAL A 75 3.950 9.461 3.813 1.00 0.00 C ATOM 0 H VAL A 75 5.306 10.109 6.856 1.00 0.00 H new ATOM 0 HA VAL A 75 5.873 8.447 5.520 1.00 0.00 H new ATOM 0 HB VAL A 75 5.746 10.443 3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.466 8.458 1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.032 8.451 2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.707 7.410 3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.495 9.526 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.647 8.530 4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.621 10.304 4.420 1.00 0.00 H new ATOM 785 N ASN A 76 8.339 8.395 5.205 1.00 0.00 N ATOM 786 CA ASN A 76 9.792 8.347 5.090 1.00 0.00 C ATOM 787 C ASN A 76 10.220 7.941 3.683 1.00 0.00 C ATOM 788 O ASN A 76 9.707 6.971 3.124 1.00 0.00 O ATOM 789 CB ASN A 76 10.372 7.364 6.108 1.00 0.00 C ATOM 790 CG ASN A 76 10.024 7.733 7.536 1.00 0.00 C ATOM 791 OD1 ASN A 76 10.355 8.820 8.008 1.00 0.00 O ATOM 792 ND2 ASN A 76 9.352 6.824 8.233 1.00 0.00 N ATOM 0 H ASN A 76 7.914 7.530 5.540 1.00 0.00 H new ATOM 0 HA ASN A 76 10.176 9.347 5.293 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.999 6.362 5.894 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.456 7.331 5.999 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.090 7.014 9.200 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.098 5.935 7.801 1.00 0.00 H new ATOM 799 N ASP A 77 11.171 8.679 3.121 1.00 0.00 N ATOM 800 CA ASP A 77 11.675 8.380 1.786 1.00 0.00 C ATOM 801 C ASP A 77 12.488 7.089 1.807 1.00 0.00 C ATOM 802 O ASP A 77 13.359 6.913 2.659 1.00 0.00 O ATOM 803 CB ASP A 77 12.536 9.535 1.270 1.00 0.00 C ATOM 804 CG ASP A 77 11.765 10.837 1.182 1.00 0.00 C ATOM 805 OD1 ASP A 77 10.757 10.883 0.445 1.00 0.00 O ATOM 806 OD2 ASP A 77 12.168 11.811 1.852 1.00 0.00 O ATOM 0 H ASP A 77 11.607 9.486 3.567 1.00 0.00 H new ATOM 0 HA ASP A 77 10.826 8.251 1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.394 9.668 1.929 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.928 9.281 0.285 1.00 0.00 H new ATOM 811 N PRO A 78 12.216 6.159 0.874 1.00 0.00 N ATOM 812 CA PRO A 78 12.931 4.881 0.807 1.00 0.00 C ATOM 813 C PRO A 78 14.431 5.068 0.608 1.00 0.00 C ATOM 814 O PRO A 78 14.869 5.617 -0.404 1.00 0.00 O ATOM 815 CB PRO A 78 12.310 4.179 -0.406 1.00 0.00 C ATOM 816 CG PRO A 78 10.994 4.847 -0.606 1.00 0.00 C ATOM 817 CD PRO A 78 11.192 6.271 -0.179 1.00 0.00 C ATOM 0 HA PRO A 78 12.835 4.314 1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.943 4.281 -1.288 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.187 3.111 -0.224 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.681 4.791 -1.649 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.216 4.365 -0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.529 6.897 -1.005 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.270 6.711 0.200 1.00 0.00 H new ATOM 825 N VAL A 79 15.211 4.600 1.580 1.00 0.00 N ATOM 826 CA VAL A 79 16.668 4.703 1.527 1.00 0.00 C ATOM 827 C VAL A 79 17.313 3.594 2.350 1.00 0.00 C ATOM 828 O VAL A 79 18.088 2.790 1.830 1.00 0.00 O ATOM 829 CB VAL A 79 17.164 6.065 2.066 1.00 0.00 C ATOM 830 CG1 VAL A 79 18.684 6.093 2.134 1.00 0.00 C ATOM 831 CG2 VAL A 79 16.648 7.212 1.212 1.00 0.00 C ATOM 0 H VAL A 79 14.855 4.143 2.419 1.00 0.00 H new ATOM 0 HA VAL A 79 16.955 4.609 0.480 1.00 0.00 H new ATOM 0 HB VAL A 79 16.769 6.191 3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 79 19.013 7.059 2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 79 19.033 5.302 2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 79 19.096 5.937 1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 79 17.012 8.157 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 79 17.003 7.092 0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 79 15.558 7.210 1.220 1.00 0.00 H new ATOM 841 N GLN A 80 16.985 3.557 3.638 1.00 0.00 N ATOM 842 CA GLN A 80 17.525 2.547 4.538 1.00 0.00 C ATOM 843 C GLN A 80 16.743 1.239 4.417 1.00 0.00 C ATOM 844 O GLN A 80 16.577 0.711 3.317 1.00 0.00 O ATOM 845 CB GLN A 80 17.506 3.061 5.980 1.00 0.00 C ATOM 846 CG GLN A 80 18.329 4.323 6.180 1.00 0.00 C ATOM 847 CD GLN A 80 18.361 4.783 7.623 1.00 0.00 C ATOM 848 OE1 GLN A 80 17.322 5.055 8.223 1.00 0.00 O ATOM 849 NE2 GLN A 80 19.559 4.876 8.186 1.00 0.00 N ATOM 0 H GLN A 80 16.346 4.217 4.081 1.00 0.00 H new ATOM 0 HA GLN A 80 18.558 2.347 4.255 1.00 0.00 H new ATOM 0 HB2 GLN A 80 16.475 3.258 6.275 1.00 0.00 H new ATOM 0 HB3 GLN A 80 17.883 2.281 6.641 1.00 0.00 H new ATOM 0 HG2 GLN A 80 19.348 4.144 5.838 1.00 0.00 H new ATOM 0 HG3 GLN A 80 17.920 5.120 5.559 1.00 0.00 H new ATOM 0 HE21 GLN A 80 20.394 4.640 7.650 1.00 0.00 H new ATOM 0 HE22 GLN A 80 19.645 5.183 9.155 1.00 0.00 H new ATOM 858 N ASN A 81 16.265 0.716 5.545 1.00 0.00 N ATOM 859 CA ASN A 81 15.507 -0.529 5.543 1.00 0.00 C ATOM 860 C ASN A 81 14.206 -0.385 6.326 1.00 0.00 C ATOM 861 O ASN A 81 13.145 -0.804 5.863 1.00 0.00 O ATOM 862 CB ASN A 81 16.347 -1.662 6.135 1.00 0.00 C ATOM 863 CG ASN A 81 17.621 -1.912 5.351 1.00 0.00 C ATOM 864 OD1 ASN A 81 18.468 -1.029 5.224 1.00 0.00 O ATOM 865 ND2 ASN A 81 17.762 -3.121 4.821 1.00 0.00 N ATOM 0 H ASN A 81 16.390 1.135 6.467 1.00 0.00 H new ATOM 0 HA ASN A 81 15.259 -0.767 4.509 1.00 0.00 H new ATOM 0 HB2 ASN A 81 16.601 -1.420 7.167 1.00 0.00 H new ATOM 0 HB3 ASN A 81 15.753 -2.576 6.158 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.599 -3.348 4.283 1.00 0.00 H new ATOM 0 HD22 ASN A 81 17.034 -3.823 4.952 1.00 0.00 H new ATOM 872 N TRP A 82 14.292 0.201 7.517 1.00 0.00 N ATOM 873 CA TRP A 82 13.116 0.388 8.359 1.00 0.00 C ATOM 874 C TRP A 82 12.158 1.412 7.754 1.00 0.00 C ATOM 875 O TRP A 82 10.984 1.464 8.121 1.00 0.00 O ATOM 876 CB TRP A 82 13.523 0.789 9.783 1.00 0.00 C ATOM 877 CG TRP A 82 14.282 2.077 9.874 1.00 0.00 C ATOM 878 CD1 TRP A 82 15.638 2.223 9.956 1.00 0.00 C ATOM 879 CD2 TRP A 82 13.732 3.398 9.937 1.00 0.00 C ATOM 880 NE1 TRP A 82 15.965 3.554 10.045 1.00 0.00 N ATOM 881 CE2 TRP A 82 14.813 4.296 10.039 1.00 0.00 C ATOM 882 CE3 TRP A 82 12.432 3.910 9.909 1.00 0.00 C ATOM 883 CZ2 TRP A 82 14.631 5.674 10.114 1.00 0.00 C ATOM 884 CZ3 TRP A 82 12.252 5.279 9.985 1.00 0.00 C ATOM 885 CH2 TRP A 82 13.347 6.148 10.086 1.00 0.00 C ATOM 0 H TRP A 82 15.161 0.553 7.919 1.00 0.00 H new ATOM 0 HA TRP A 82 12.589 -0.565 8.413 1.00 0.00 H new ATOM 0 HB2 TRP A 82 12.625 0.868 10.395 1.00 0.00 H new ATOM 0 HB3 TRP A 82 14.132 -0.008 10.211 1.00 0.00 H new ATOM 0 HD1 TRP A 82 16.349 1.410 9.951 1.00 0.00 H new ATOM 0 HE1 TRP A 82 16.912 3.929 10.106 1.00 0.00 H new ATOM 0 HE3 TRP A 82 11.582 3.248 9.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 15.473 6.346 10.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 11.251 5.685 9.966 1.00 0.00 H new ATOM 0 HH2 TRP A 82 13.174 7.213 10.143 1.00 0.00 H new ATOM 896 N HIS A 83 12.659 2.216 6.818 1.00 0.00 N ATOM 897 CA HIS A 83 11.834 3.227 6.158 1.00 0.00 C ATOM 898 C HIS A 83 10.598 2.590 5.529 1.00 0.00 C ATOM 899 O HIS A 83 9.477 3.057 5.724 1.00 0.00 O ATOM 900 CB HIS A 83 12.634 3.951 5.069 1.00 0.00 C ATOM 901 CG HIS A 83 13.751 4.801 5.587 1.00 0.00 C ATOM 902 ND1 HIS A 83 14.595 5.515 4.761 1.00 0.00 N ATOM 903 CD2 HIS A 83 14.159 5.061 6.850 1.00 0.00 C ATOM 904 CE1 HIS A 83 15.472 6.175 5.495 1.00 0.00 C ATOM 905 NE2 HIS A 83 15.229 5.917 6.766 1.00 0.00 N ATOM 0 H HIS A 83 13.628 2.188 6.500 1.00 0.00 H new ATOM 0 HA HIS A 83 11.522 3.946 6.916 1.00 0.00 H new ATOM 0 HB2 HIS A 83 13.045 3.210 4.383 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.954 4.577 4.491 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.724 4.668 7.757 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.255 6.817 5.119 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.751 6.293 7.558 1.00 0.00 H new ATOM 914 N LYS A 84 10.821 1.523 4.770 1.00 0.00 N ATOM 915 CA LYS A 84 9.737 0.815 4.099 1.00 0.00 C ATOM 916 C LYS A 84 8.764 0.209 5.106 1.00 0.00 C ATOM 917 O LYS A 84 7.550 0.287 4.930 1.00 0.00 O ATOM 918 CB LYS A 84 10.306 -0.280 3.196 1.00 0.00 C ATOM 919 CG LYS A 84 11.261 0.248 2.138 1.00 0.00 C ATOM 920 CD LYS A 84 11.785 -0.868 1.250 1.00 0.00 C ATOM 921 CE LYS A 84 12.699 -0.329 0.161 1.00 0.00 C ATOM 922 NZ LYS A 84 13.243 -1.417 -0.697 1.00 0.00 N ATOM 0 H LYS A 84 11.747 1.128 4.604 1.00 0.00 H new ATOM 0 HA LYS A 84 9.189 1.535 3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.826 -1.014 3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.483 -0.800 2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.751 0.992 1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.098 0.752 2.621 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.328 -1.593 1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.947 -1.397 0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.148 0.380 -0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.523 0.220 0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.861 -1.008 -1.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.790 -2.080 -0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.458 -1.925 -1.153 1.00 0.00 H new ATOM 936 N LEU A 85 9.305 -0.394 6.157 1.00 0.00 N ATOM 937 CA LEU A 85 8.489 -1.014 7.190 1.00 0.00 C ATOM 938 C LEU A 85 7.496 -0.020 7.785 1.00 0.00 C ATOM 939 O LEU A 85 6.403 -0.396 8.208 1.00 0.00 O ATOM 940 CB LEU A 85 9.386 -1.577 8.292 1.00 0.00 C ATOM 941 CG LEU A 85 10.362 -2.668 7.844 1.00 0.00 C ATOM 942 CD1 LEU A 85 11.243 -3.103 9.005 1.00 0.00 C ATOM 943 CD2 LEU A 85 9.607 -3.858 7.271 1.00 0.00 C ATOM 0 H LEU A 85 10.310 -0.466 6.316 1.00 0.00 H new ATOM 0 HA LEU A 85 7.921 -1.824 6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.957 -0.757 8.728 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.753 -1.980 9.083 1.00 0.00 H new ATOM 0 HG LEU A 85 11.001 -2.258 7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.931 -3.879 8.669 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.811 -2.248 9.371 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.619 -3.494 9.809 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.317 -4.623 6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.943 -4.269 8.032 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.019 -3.536 6.412 1.00 0.00 H new ATOM 955 N GLU A 86 7.888 1.249 7.819 1.00 0.00 N ATOM 956 CA GLU A 86 7.038 2.300 8.368 1.00 0.00 C ATOM 957 C GLU A 86 5.923 2.670 7.398 1.00 0.00 C ATOM 958 O GLU A 86 4.749 2.681 7.764 1.00 0.00 O ATOM 959 CB GLU A 86 7.868 3.533 8.699 1.00 0.00 C ATOM 960 CG GLU A 86 7.073 4.616 9.406 1.00 0.00 C ATOM 961 CD GLU A 86 6.511 4.166 10.744 1.00 0.00 C ATOM 962 OE1 GLU A 86 6.796 3.022 11.157 1.00 0.00 O ATOM 963 OE2 GLU A 86 5.792 4.963 11.381 1.00 0.00 O ATOM 0 H GLU A 86 8.790 1.575 7.472 1.00 0.00 H new ATOM 0 HA GLU A 86 6.583 1.918 9.282 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.709 3.239 9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.285 3.940 7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.712 5.485 9.561 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.253 4.935 8.763 1.00 0.00 H new ATOM 970 N ASN A 87 6.299 2.974 6.161 1.00 0.00 N ATOM 971 CA ASN A 87 5.338 3.348 5.138 1.00 0.00 C ATOM 972 C ASN A 87 4.323 2.235 4.911 1.00 0.00 C ATOM 973 O ASN A 87 3.121 2.485 4.821 1.00 0.00 O ATOM 974 CB ASN A 87 6.070 3.670 3.839 1.00 0.00 C ATOM 975 CG ASN A 87 7.052 4.813 4.000 1.00 0.00 C ATOM 976 OD1 ASN A 87 6.675 5.923 4.371 1.00 0.00 O ATOM 977 ND2 ASN A 87 8.322 4.545 3.721 1.00 0.00 N ATOM 0 H ASN A 87 7.269 2.968 5.844 1.00 0.00 H new ATOM 0 HA ASN A 87 4.797 4.232 5.475 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.602 2.783 3.495 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.343 3.925 3.068 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.029 5.275 3.811 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.591 3.609 3.416 1.00 0.00 H new ATOM 984 N ILE A 88 4.814 1.003 4.822 1.00 0.00 N ATOM 985 CA ILE A 88 3.945 -0.148 4.609 1.00 0.00 C ATOM 986 C ILE A 88 3.063 -0.397 5.829 1.00 0.00 C ATOM 987 O ILE A 88 1.874 -0.692 5.700 1.00 0.00 O ATOM 988 CB ILE A 88 4.752 -1.427 4.311 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.691 -1.206 3.123 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.809 -2.591 4.034 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.565 -2.404 2.808 1.00 0.00 C ATOM 0 H ILE A 88 5.806 0.777 4.894 1.00 0.00 H new ATOM 0 HA ILE A 88 3.323 0.086 3.745 1.00 0.00 H new ATOM 0 HB ILE A 88 5.357 -1.667 5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.097 -0.959 2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.328 -0.346 3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.391 -3.489 3.825 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.177 -2.763 4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.183 -2.355 3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.204 -2.174 1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.185 -2.639 3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.935 -3.261 2.569 1.00 0.00 H new ATOM 1003 N GLY A 89 3.659 -0.281 7.013 1.00 0.00 N ATOM 1004 CA GLY A 89 2.922 -0.500 8.245 1.00 0.00 C ATOM 1005 C GLY A 89 1.740 0.438 8.402 1.00 0.00 C ATOM 1006 O GLY A 89 0.644 0.006 8.755 1.00 0.00 O ATOM 0 H GLY A 89 4.642 -0.039 7.141 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.567 -1.530 8.272 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.595 -0.372 9.093 1.00 0.00 H new ATOM 1010 N ASN A 90 1.963 1.723 8.147 1.00 0.00 N ATOM 1011 CA ASN A 90 0.904 2.721 8.266 1.00 0.00 C ATOM 1012 C ASN A 90 -0.217 2.457 7.266 1.00 0.00 C ATOM 1013 O ASN A 90 -1.395 2.607 7.588 1.00 0.00 O ATOM 1014 CB ASN A 90 1.467 4.129 8.058 1.00 0.00 C ATOM 1015 CG ASN A 90 2.480 4.512 9.115 1.00 0.00 C ATOM 1016 OD1 ASN A 90 3.668 4.908 8.678 1.00 0.00 O flip ATOM 1017 ND2 ASN A 90 2.195 4.464 10.312 1.00 0.00 N flip ATOM 0 H ASN A 90 2.866 2.098 7.857 1.00 0.00 H new ATOM 0 HA ASN A 90 0.491 2.648 9.272 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.933 4.188 7.075 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.648 4.849 8.067 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.268 4.153 10.604 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.886 4.735 11.012 1.00 0.00 H new ATOM 1024 N PHE A 91 0.158 2.070 6.051 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.816 1.793 5.001 1.00 0.00 C ATOM 1026 C PHE A 91 -1.759 0.661 5.405 1.00 0.00 C ATOM 1027 O PHE A 91 -2.979 0.802 5.327 1.00 0.00 O ATOM 1028 CB PHE A 91 -0.098 1.436 3.697 1.00 0.00 C ATOM 1029 CG PHE A 91 -1.025 1.124 2.554 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -2.106 1.944 2.274 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -0.812 0.008 1.762 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -2.957 1.658 1.224 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.660 -0.285 0.710 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.734 0.541 0.441 1.00 0.00 C ATOM 0 H PHE A 91 1.130 1.941 5.769 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.412 2.693 4.849 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.548 2.266 3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.547 0.575 3.873 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.286 2.817 2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.026 -0.641 1.969 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.795 2.306 1.015 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.483 -1.158 0.100 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.398 0.314 -0.380 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.187 -0.459 5.833 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.979 -1.614 6.248 1.00 0.00 C ATOM 1046 C LEU A 92 -2.764 -1.320 7.519 1.00 0.00 C ATOM 1047 O LEU A 92 -3.934 -1.676 7.630 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.077 -2.830 6.454 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.483 -3.405 5.171 1.00 0.00 C ATOM 1050 CD1 LEU A 92 0.598 -4.424 5.492 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.573 -4.036 4.321 1.00 0.00 C ATOM 0 H LEU A 92 -0.178 -0.593 5.902 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.693 -1.832 5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.263 -2.553 7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.650 -3.610 6.955 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.029 -2.591 4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.009 -4.823 4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.392 -3.944 6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.169 -5.237 6.078 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.134 -4.442 3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.053 -4.839 4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.315 -3.281 4.062 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.116 -0.667 8.475 1.00 0.00 N ATOM 1064 CA ARG A 93 -2.762 -0.326 9.735 1.00 0.00 C ATOM 1065 C ARG A 93 -3.995 0.531 9.470 1.00 0.00 C ATOM 1066 O ARG A 93 -5.041 0.349 10.093 1.00 0.00 O ATOM 1067 CB ARG A 93 -1.777 0.413 10.649 1.00 0.00 C ATOM 1068 CG ARG A 93 -2.261 0.591 12.083 1.00 0.00 C ATOM 1069 CD ARG A 93 -3.325 1.666 12.202 1.00 0.00 C ATOM 1070 NE ARG A 93 -3.774 1.842 13.580 1.00 0.00 N ATOM 1071 CZ ARG A 93 -4.704 2.719 13.947 1.00 0.00 C ATOM 1072 NH1 ARG A 93 -5.281 3.497 13.042 1.00 0.00 N ATOM 1073 NH2 ARG A 93 -5.057 2.817 15.221 1.00 0.00 N ATOM 0 H ARG A 93 -1.145 -0.363 8.402 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.076 -1.242 10.236 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.833 -0.132 10.662 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.572 1.395 10.223 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.660 -0.355 12.449 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.415 0.848 12.720 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.930 2.610 11.826 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -4.177 1.404 11.574 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.350 1.259 14.302 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -5.012 3.424 12.061 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.994 4.169 13.327 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.615 2.220 15.920 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.770 3.490 15.502 1.00 0.00 H new ATOM 1087 N ALA A 94 -3.857 1.464 8.535 1.00 0.00 N ATOM 1088 CA ALA A 94 -4.949 2.358 8.173 1.00 0.00 C ATOM 1089 C ALA A 94 -6.102 1.600 7.521 1.00 0.00 C ATOM 1090 O ALA A 94 -7.264 1.824 7.855 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.445 3.451 7.242 1.00 0.00 C ATOM 0 H ALA A 94 -2.995 1.621 8.012 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.326 2.812 9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.270 4.113 6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.665 4.025 7.743 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.039 2.999 6.337 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.778 0.708 6.586 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.799 -0.069 5.885 1.00 0.00 C ATOM 1099 C ILE A 95 -7.425 -1.124 6.796 1.00 0.00 C ATOM 1100 O ILE A 95 -8.577 -1.514 6.609 1.00 0.00 O ATOM 1101 CB ILE A 95 -6.240 -0.752 4.618 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -5.228 -1.842 4.983 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.603 0.283 3.702 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.715 -2.618 3.790 1.00 0.00 C ATOM 0 H ILE A 95 -4.821 0.506 6.297 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.568 0.642 5.583 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.068 -1.226 4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.384 -1.384 5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.691 -2.536 5.685 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.212 -0.210 2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.351 1.020 3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.789 0.782 4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.003 -3.372 4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.550 -3.106 3.287 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.222 -1.936 3.097 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.659 -1.581 7.783 1.00 0.00 N ATOM 1117 CA LYS A 96 -7.133 -2.587 8.729 1.00 0.00 C ATOM 1118 C LYS A 96 -8.067 -1.970 9.760 1.00 0.00 C ATOM 1119 O LYS A 96 -8.182 -2.454 10.887 1.00 0.00 O ATOM 1120 CB LYS A 96 -5.953 -3.231 9.438 1.00 0.00 C ATOM 1121 CG LYS A 96 -5.148 -4.180 8.568 1.00 0.00 C ATOM 1122 CD LYS A 96 -4.008 -4.828 9.343 1.00 0.00 C ATOM 1123 CE LYS A 96 -4.523 -5.667 10.502 1.00 0.00 C ATOM 1124 NZ LYS A 96 -3.414 -6.303 11.264 1.00 0.00 N ATOM 0 H LYS A 96 -5.702 -1.269 7.949 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.683 -3.344 8.169 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.293 -2.446 9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.319 -3.776 10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.804 -4.955 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.744 -3.636 7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.422 -5.455 8.672 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.340 -4.055 9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.110 -5.039 11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.192 -6.439 10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -3.808 -6.866 12.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -2.869 -6.923 10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.790 -5.566 11.649 1.00 0.00 H new ATOM 1138 N HIS A 97 -8.721 -0.899 9.360 1.00 0.00 N ATOM 1139 CA HIS A 97 -9.648 -0.184 10.223 1.00 0.00 C ATOM 1140 C HIS A 97 -10.506 0.761 9.397 1.00 0.00 C ATOM 1141 O HIS A 97 -11.675 0.995 9.705 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.882 0.603 11.284 1.00 0.00 C ATOM 1143 CG HIS A 97 -9.766 1.281 12.285 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -10.644 0.597 13.099 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -9.903 2.590 12.603 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -11.285 1.455 13.873 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -10.853 2.671 13.592 1.00 0.00 N ATOM 0 H HIS A 97 -8.627 -0.497 8.427 1.00 0.00 H new ATOM 0 HA HIS A 97 -10.293 -0.909 10.719 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.206 -0.073 11.808 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.264 1.353 10.791 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.366 3.416 12.161 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -12.034 1.205 14.610 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -11.173 3.531 14.037 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.908 1.302 8.342 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.606 2.229 7.454 1.00 0.00 C ATOM 1158 C TYR A 98 -11.865 1.587 6.881 1.00 0.00 C ATOM 1159 O TYR A 98 -12.922 2.217 6.820 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.684 2.672 6.315 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.330 3.639 5.346 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -11.002 4.768 5.801 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -10.268 3.422 3.976 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -11.592 5.651 4.919 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -10.857 4.300 3.086 1.00 0.00 C ATOM 1166 CZ TYR A 98 -11.517 5.413 3.563 1.00 0.00 C ATOM 1167 OH TYR A 98 -12.104 6.291 2.680 1.00 0.00 O ATOM 0 H TYR A 98 -8.940 1.116 8.079 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.896 3.103 8.038 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.795 3.138 6.740 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.351 1.791 5.766 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.063 4.957 6.862 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.751 2.552 3.599 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.110 6.524 5.289 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -10.801 4.116 2.023 1.00 0.00 H new ATOM 0 HH TYR A 98 -11.519 7.067 2.553 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.745 0.332 6.463 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.880 -0.375 5.899 1.00 0.00 C ATOM 1179 C GLY A 99 -12.562 -1.819 5.570 1.00 0.00 C ATOM 1180 O GLY A 99 -13.346 -2.718 5.876 1.00 0.00 O ATOM 0 H GLY A 99 -10.881 -0.209 6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.711 -0.341 6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.209 0.136 4.994 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.411 -2.044 4.945 1.00 0.00 N ATOM 1185 CA VAL A 100 -10.998 -3.393 4.574 1.00 0.00 C ATOM 1186 C VAL A 100 -10.764 -4.251 5.814 1.00 0.00 C ATOM 1187 O VAL A 100 -10.035 -3.858 6.724 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.713 -3.377 3.724 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -9.393 -4.776 3.219 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -9.854 -2.408 2.560 1.00 0.00 C ATOM 0 H VAL A 100 -10.749 -1.312 4.685 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.807 -3.821 3.982 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.888 -3.040 4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.483 -4.747 2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.249 -5.445 4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.218 -5.140 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.937 -2.411 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.690 -2.714 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -10.037 -1.404 2.943 1.00 0.00 H new ATOM 1200 N LYS A 101 -11.388 -5.424 5.841 1.00 0.00 N ATOM 1201 CA LYS A 101 -11.249 -6.341 6.968 1.00 0.00 C ATOM 1202 C LYS A 101 -9.837 -6.919 7.028 1.00 0.00 C ATOM 1203 O LYS A 101 -9.263 -7.278 6.001 1.00 0.00 O ATOM 1204 CB LYS A 101 -12.273 -7.472 6.859 1.00 0.00 C ATOM 1205 CG LYS A 101 -13.714 -6.990 6.842 1.00 0.00 C ATOM 1206 CD LYS A 101 -14.695 -8.148 6.727 1.00 0.00 C ATOM 1207 CE LYS A 101 -14.608 -9.078 7.927 1.00 0.00 C ATOM 1208 NZ LYS A 101 -14.920 -8.373 9.201 1.00 0.00 N ATOM 0 H LYS A 101 -11.995 -5.763 5.095 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.432 -5.782 7.886 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -12.078 -8.040 5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.137 -8.155 7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.920 -6.428 7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -13.859 -6.306 6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.709 -7.759 6.641 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -14.490 -8.710 5.815 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -15.301 -9.909 7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.606 -9.504 7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -15.050 -9.071 9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.136 -7.736 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -15.793 -7.819 9.087 1.00 0.00 H new ATOM 1222 N PRO A 102 -9.256 -7.019 8.239 1.00 0.00 N ATOM 1223 CA PRO A 102 -7.905 -7.561 8.425 1.00 0.00 C ATOM 1224 C PRO A 102 -7.742 -8.934 7.781 1.00 0.00 C ATOM 1225 O PRO A 102 -6.703 -9.235 7.194 1.00 0.00 O ATOM 1226 CB PRO A 102 -7.766 -7.663 9.945 1.00 0.00 C ATOM 1227 CG PRO A 102 -8.721 -6.655 10.482 1.00 0.00 C ATOM 1228 CD PRO A 102 -9.868 -6.613 9.518 1.00 0.00 C ATOM 0 HA PRO A 102 -7.146 -6.934 7.958 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.008 -8.665 10.298 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.746 -7.451 10.264 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -9.061 -6.933 11.480 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.248 -5.677 10.567 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -10.667 -7.293 9.815 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -10.304 -5.616 9.456 1.00 0.00 H new ATOM 1236 N HIS A 103 -8.779 -9.759 7.894 1.00 0.00 N ATOM 1237 CA HIS A 103 -8.762 -11.100 7.319 1.00 0.00 C ATOM 1238 C HIS A 103 -8.491 -11.036 5.818 1.00 0.00 C ATOM 1239 O HIS A 103 -7.922 -11.961 5.238 1.00 0.00 O ATOM 1240 CB HIS A 103 -10.093 -11.807 7.585 1.00 0.00 C ATOM 1241 CG HIS A 103 -10.139 -13.219 7.088 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -10.006 -13.555 5.756 1.00 0.00 N ATOM 1243 CD2 HIS A 103 -10.302 -14.388 7.753 1.00 0.00 C ATOM 1244 CE1 HIS A 103 -10.087 -14.867 5.625 1.00 0.00 C ATOM 1245 NE2 HIS A 103 -10.267 -15.395 6.820 1.00 0.00 N ATOM 0 H HIS A 103 -9.644 -9.521 8.380 1.00 0.00 H new ATOM 0 HA HIS A 103 -7.961 -11.668 7.792 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.288 -11.803 8.657 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.895 -11.240 7.113 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -9.867 -12.894 4.992 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.435 -14.506 8.818 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -10.018 -15.414 4.697 1.00 0.00 H new ATOM 1254 N ASP A 104 -8.890 -9.928 5.202 1.00 0.00 N ATOM 1255 CA ASP A 104 -8.685 -9.723 3.777 1.00 0.00 C ATOM 1256 C ASP A 104 -7.547 -8.742 3.570 1.00 0.00 C ATOM 1257 O ASP A 104 -7.573 -7.914 2.657 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.964 -9.195 3.127 1.00 0.00 C ATOM 1259 CG ASP A 104 -11.115 -10.176 3.230 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -10.980 -11.306 2.713 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -12.150 -9.816 3.829 1.00 0.00 O ATOM 0 H ASP A 104 -9.360 -9.155 5.673 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.431 -10.674 3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -10.248 -8.256 3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.770 -8.976 2.077 1.00 0.00 H new ATOM 1266 N ILE A 105 -6.556 -8.836 4.444 1.00 0.00 N ATOM 1267 CA ILE A 105 -5.403 -7.955 4.395 1.00 0.00 C ATOM 1268 C ILE A 105 -4.124 -8.704 4.758 1.00 0.00 C ATOM 1269 O ILE A 105 -4.054 -9.372 5.791 1.00 0.00 O ATOM 1270 CB ILE A 105 -5.589 -6.767 5.357 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.775 -5.908 4.914 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -4.323 -5.937 5.430 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -7.074 -4.752 5.845 1.00 0.00 C ATOM 0 H ILE A 105 -6.529 -9.520 5.200 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.316 -7.583 3.374 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.797 -7.156 6.354 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.576 -5.517 3.916 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.660 -6.539 4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.474 -5.102 6.115 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.502 -6.557 5.789 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.081 -5.554 4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.927 -4.190 5.465 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.306 -5.136 6.839 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.205 -4.097 5.903 1.00 0.00 H new ATOM 1285 N PHE A 106 -3.119 -8.589 3.898 1.00 0.00 N ATOM 1286 CA PHE A 106 -1.840 -9.253 4.116 1.00 0.00 C ATOM 1287 C PHE A 106 -1.040 -8.556 5.214 1.00 0.00 C ATOM 1288 O PHE A 106 -1.605 -7.866 6.063 1.00 0.00 O ATOM 1289 CB PHE A 106 -1.044 -9.273 2.806 1.00 0.00 C ATOM 1290 CG PHE A 106 -0.740 -7.906 2.249 1.00 0.00 C ATOM 1291 CD1 PHE A 106 0.306 -7.150 2.752 1.00 0.00 C ATOM 1292 CD2 PHE A 106 -1.495 -7.386 1.210 1.00 0.00 C ATOM 1293 CE1 PHE A 106 0.590 -5.901 2.234 1.00 0.00 C ATOM 1294 CE2 PHE A 106 -1.216 -6.138 0.688 1.00 0.00 C ATOM 1295 CZ PHE A 106 -0.173 -5.393 1.200 1.00 0.00 C ATOM 0 H PHE A 106 -3.166 -8.040 3.040 1.00 0.00 H new ATOM 0 HA PHE A 106 -2.029 -10.276 4.440 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.106 -9.803 2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.603 -9.840 2.062 1.00 0.00 H new ATOM 0 HD1 PHE A 106 0.907 -7.542 3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.312 -7.964 0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.408 -5.322 2.637 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.814 -5.745 -0.121 1.00 0.00 H new ATOM 0 HZ PHE A 106 0.046 -4.417 0.794 1.00 0.00 H new ATOM 1305 N GLU A 107 0.279 -8.728 5.182 1.00 0.00 N ATOM 1306 CA GLU A 107 1.155 -8.104 6.163 1.00 0.00 C ATOM 1307 C GLU A 107 2.391 -7.535 5.485 1.00 0.00 C ATOM 1308 O GLU A 107 2.840 -8.048 4.463 1.00 0.00 O ATOM 1309 CB GLU A 107 1.564 -9.102 7.245 1.00 0.00 C ATOM 1310 CG GLU A 107 0.387 -9.719 7.963 1.00 0.00 C ATOM 1311 CD GLU A 107 0.790 -10.580 9.145 1.00 0.00 C ATOM 1312 OE1 GLU A 107 1.999 -10.650 9.447 1.00 0.00 O ATOM 1313 OE2 GLU A 107 -0.107 -11.180 9.774 1.00 0.00 O ATOM 0 H GLU A 107 0.763 -9.295 4.486 1.00 0.00 H new ATOM 0 HA GLU A 107 0.605 -7.291 6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.161 -9.894 6.792 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.201 -8.599 7.972 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.275 -8.925 8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.183 -10.325 7.258 1.00 0.00 H new ATOM 1320 N ALA A 108 2.925 -6.465 6.058 1.00 0.00 N ATOM 1321 CA ALA A 108 4.105 -5.805 5.515 1.00 0.00 C ATOM 1322 C ALA A 108 5.228 -6.795 5.213 1.00 0.00 C ATOM 1323 O ALA A 108 6.168 -6.468 4.488 1.00 0.00 O ATOM 1324 CB ALA A 108 4.594 -4.738 6.481 1.00 0.00 C ATOM 0 H ALA A 108 2.556 -6.033 6.905 1.00 0.00 H new ATOM 0 HA ALA A 108 3.817 -5.340 4.572 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.476 -4.250 6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.808 -3.998 6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.849 -5.200 7.435 1.00 0.00 H new ATOM 1330 N ASN A 109 5.142 -7.996 5.779 1.00 0.00 N ATOM 1331 CA ASN A 109 6.173 -9.003 5.569 1.00 0.00 C ATOM 1332 C ASN A 109 6.072 -9.666 4.195 1.00 0.00 C ATOM 1333 O ASN A 109 7.089 -9.995 3.590 1.00 0.00 O ATOM 1334 CB ASN A 109 6.110 -10.062 6.668 1.00 0.00 C ATOM 1335 CG ASN A 109 4.756 -10.729 6.769 1.00 0.00 C ATOM 1336 OD1 ASN A 109 4.260 -11.310 5.804 1.00 0.00 O ATOM 1337 ND2 ASN A 109 4.155 -10.659 7.946 1.00 0.00 N ATOM 0 H ASN A 109 4.374 -8.292 6.382 1.00 0.00 H new ATOM 0 HA ASN A 109 7.134 -8.490 5.610 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.869 -10.821 6.478 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.354 -9.600 7.625 1.00 0.00 H new ATOM 0 HD21 ASN A 109 3.244 -11.097 8.080 1.00 0.00 H new ATOM 0 HD22 ASN A 109 4.603 -10.167 8.719 1.00 0.00 H new ATOM 1344 N ASP A 110 4.853 -9.883 3.707 1.00 0.00 N ATOM 1345 CA ASP A 110 4.678 -10.530 2.409 1.00 0.00 C ATOM 1346 C ASP A 110 5.345 -9.720 1.302 1.00 0.00 C ATOM 1347 O ASP A 110 5.871 -10.278 0.339 1.00 0.00 O ATOM 1348 CB ASP A 110 3.194 -10.752 2.086 1.00 0.00 C ATOM 1349 CG ASP A 110 2.448 -9.483 1.723 1.00 0.00 C ATOM 1350 OD1 ASP A 110 2.970 -8.381 1.976 1.00 0.00 O ATOM 1351 OD2 ASP A 110 1.325 -9.601 1.197 1.00 0.00 O ATOM 0 H ASP A 110 3.987 -9.626 4.180 1.00 0.00 H new ATOM 0 HA ASP A 110 5.160 -11.506 2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 110 3.114 -11.458 1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.710 -11.213 2.947 1.00 0.00 H new ATOM 1356 N LEU A 111 5.313 -8.404 1.448 1.00 0.00 N ATOM 1357 CA LEU A 111 5.903 -7.502 0.470 1.00 0.00 C ATOM 1358 C LEU A 111 7.393 -7.307 0.737 1.00 0.00 C ATOM 1359 O LEU A 111 8.206 -7.305 -0.188 1.00 0.00 O ATOM 1360 CB LEU A 111 5.179 -6.155 0.512 1.00 0.00 C ATOM 1361 CG LEU A 111 5.650 -5.120 -0.509 1.00 0.00 C ATOM 1362 CD1 LEU A 111 5.407 -5.614 -1.927 1.00 0.00 C ATOM 1363 CD2 LEU A 111 4.941 -3.795 -0.279 1.00 0.00 C ATOM 0 H LEU A 111 4.880 -7.933 2.243 1.00 0.00 H new ATOM 0 HA LEU A 111 5.792 -7.942 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.114 -6.330 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 111 5.293 -5.732 1.510 1.00 0.00 H new ATOM 0 HG LEU A 111 6.722 -4.970 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.749 -4.862 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.956 -6.542 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.342 -5.792 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.285 -3.066 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.865 -3.935 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.164 -3.433 0.725 1.00 0.00 H new ATOM 1375 N PHE A 112 7.738 -7.128 2.008 1.00 0.00 N ATOM 1376 CA PHE A 112 9.126 -6.912 2.406 1.00 0.00 C ATOM 1377 C PHE A 112 9.932 -8.212 2.399 1.00 0.00 C ATOM 1378 O PHE A 112 10.934 -8.326 1.694 1.00 0.00 O ATOM 1379 CB PHE A 112 9.177 -6.287 3.802 1.00 0.00 C ATOM 1380 CG PHE A 112 10.568 -5.953 4.264 1.00 0.00 C ATOM 1381 CD1 PHE A 112 11.408 -5.180 3.478 1.00 0.00 C ATOM 1382 CD2 PHE A 112 11.033 -6.411 5.486 1.00 0.00 C ATOM 1383 CE1 PHE A 112 12.687 -4.872 3.903 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.311 -6.105 5.916 1.00 0.00 C ATOM 1385 CZ PHE A 112 13.138 -5.335 5.123 1.00 0.00 C ATOM 0 H PHE A 112 7.074 -7.128 2.782 1.00 0.00 H new ATOM 0 HA PHE A 112 9.574 -6.236 1.678 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.574 -5.379 3.806 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.722 -6.974 4.515 1.00 0.00 H new ATOM 0 HD1 PHE A 112 11.060 -4.814 2.523 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.390 -7.014 6.110 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.333 -4.270 3.281 1.00 0.00 H new ATOM 0 HE2 PHE A 112 12.662 -6.468 6.871 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.137 -5.095 5.457 1.00 0.00 H new ATOM 1395 N GLU A 113 9.501 -9.177 3.206 1.00 0.00 N ATOM 1396 CA GLU A 113 10.195 -10.457 3.312 1.00 0.00 C ATOM 1397 C GLU A 113 9.870 -11.385 2.144 1.00 0.00 C ATOM 1398 O GLU A 113 10.391 -12.498 2.071 1.00 0.00 O ATOM 1399 CB GLU A 113 9.838 -11.142 4.632 1.00 0.00 C ATOM 1400 CG GLU A 113 10.214 -10.334 5.857 1.00 0.00 C ATOM 1401 CD GLU A 113 9.849 -11.031 7.153 1.00 0.00 C ATOM 1402 OE1 GLU A 113 10.356 -12.147 7.390 1.00 0.00 O ATOM 1403 OE2 GLU A 113 9.057 -10.460 7.931 1.00 0.00 O ATOM 0 H GLU A 113 8.673 -9.097 3.797 1.00 0.00 H new ATOM 0 HA GLU A 113 11.265 -10.249 3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.766 -11.338 4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 113 10.339 -12.109 4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 113 11.286 -10.139 5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.714 -9.366 5.816 1.00 0.00 H new ATOM 1410 N ASN A 114 9.008 -10.930 1.238 1.00 0.00 N ATOM 1411 CA ASN A 114 8.626 -11.741 0.085 1.00 0.00 C ATOM 1412 C ASN A 114 8.015 -13.059 0.561 1.00 0.00 C ATOM 1413 O ASN A 114 8.299 -14.126 0.018 1.00 0.00 O ATOM 1414 CB ASN A 114 9.856 -12.008 -0.795 1.00 0.00 C ATOM 1415 CG ASN A 114 9.511 -12.590 -2.154 1.00 0.00 C ATOM 1416 OD1 ASN A 114 9.913 -11.894 -3.211 1.00 0.00 O flip ATOM 1417 ND2 ASN A 114 8.899 -13.652 -2.257 1.00 0.00 N flip ATOM 0 H ASN A 114 8.564 -10.012 1.279 1.00 0.00 H new ATOM 0 HA ASN A 114 7.884 -11.203 -0.506 1.00 0.00 H new ATOM 0 HB2 ASN A 114 10.402 -11.075 -0.936 1.00 0.00 H new ATOM 0 HB3 ASN A 114 10.524 -12.693 -0.274 1.00 0.00 H new ATOM 0 HD21 ASN A 114 8.608 -14.156 -1.419 1.00 0.00 H new ATOM 0 HD22 ASN A 114 8.683 -14.029 -3.180 1.00 0.00 H new ATOM 1424 N THR A 115 7.192 -12.977 1.603 1.00 0.00 N ATOM 1425 CA THR A 115 6.561 -14.164 2.174 1.00 0.00 C ATOM 1426 C THR A 115 5.250 -14.531 1.476 1.00 0.00 C ATOM 1427 O THR A 115 4.883 -15.705 1.429 1.00 0.00 O ATOM 1428 CB THR A 115 6.293 -13.995 3.681 1.00 0.00 C ATOM 1429 OG1 THR A 115 5.401 -12.899 3.907 1.00 0.00 O ATOM 1430 CG2 THR A 115 7.591 -13.762 4.438 1.00 0.00 C ATOM 0 H THR A 115 6.947 -12.103 2.068 1.00 0.00 H new ATOM 0 HA THR A 115 7.272 -14.975 2.018 1.00 0.00 H new ATOM 0 HB THR A 115 5.834 -14.913 4.047 1.00 0.00 H new ATOM 0 HG1 THR A 115 5.354 -12.708 4.867 1.00 0.00 H new ATOM 0 HG21 THR A 115 7.377 -13.645 5.500 1.00 0.00 H new ATOM 0 HG22 THR A 115 8.255 -14.614 4.293 1.00 0.00 H new ATOM 0 HG23 THR A 115 8.073 -12.859 4.064 1.00 0.00 H new ATOM 1438 N ASN A 116 4.529 -13.536 0.955 1.00 0.00 N ATOM 1439 CA ASN A 116 3.254 -13.808 0.296 1.00 0.00 C ATOM 1440 C ASN A 116 2.828 -12.668 -0.632 1.00 0.00 C ATOM 1441 O ASN A 116 1.816 -12.009 -0.391 1.00 0.00 O ATOM 1442 CB ASN A 116 2.166 -14.047 1.347 1.00 0.00 C ATOM 1443 CG ASN A 116 0.922 -14.686 0.761 1.00 0.00 C ATOM 1444 OD1 ASN A 116 0.326 -14.167 -0.180 1.00 0.00 O ATOM 1445 ND2 ASN A 116 0.524 -15.822 1.320 1.00 0.00 N ATOM 0 H ASN A 116 4.801 -12.553 0.976 1.00 0.00 H new ATOM 0 HA ASN A 116 3.388 -14.700 -0.315 1.00 0.00 H new ATOM 0 HB2 ASN A 116 2.562 -14.687 2.136 1.00 0.00 H new ATOM 0 HB3 ASN A 116 1.899 -13.097 1.811 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -0.307 -16.299 0.970 1.00 0.00 H new ATOM 0 HD22 ASN A 116 1.049 -16.218 2.100 1.00 0.00 H new ATOM 1452 N HIS A 117 3.594 -12.444 -1.694 1.00 0.00 N ATOM 1453 CA HIS A 117 3.274 -11.389 -2.655 1.00 0.00 C ATOM 1454 C HIS A 117 1.917 -11.633 -3.308 1.00 0.00 C ATOM 1455 O HIS A 117 1.199 -10.690 -3.633 1.00 0.00 O ATOM 1456 CB HIS A 117 4.355 -11.289 -3.733 1.00 0.00 C ATOM 1457 CG HIS A 117 5.638 -10.700 -3.245 1.00 0.00 C ATOM 1458 ND1 HIS A 117 5.726 -9.437 -2.700 1.00 0.00 N ATOM 1459 CD2 HIS A 117 6.893 -11.203 -3.227 1.00 0.00 C ATOM 1460 CE1 HIS A 117 6.980 -9.187 -2.371 1.00 0.00 C ATOM 1461 NE2 HIS A 117 7.709 -10.243 -2.679 1.00 0.00 N ATOM 0 H HIS A 117 4.437 -12.975 -1.913 1.00 0.00 H new ATOM 0 HA HIS A 117 3.233 -10.448 -2.107 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.551 -12.284 -4.132 1.00 0.00 H new ATOM 0 HB3 HIS A 117 3.978 -10.684 -4.558 1.00 0.00 H new ATOM 0 HD2 HIS A 117 7.197 -12.178 -3.578 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.347 -8.274 -1.926 1.00 0.00 H new ATOM 0 HE2 HIS A 117 8.715 -10.332 -2.534 1.00 0.00 H new ATOM 1470 N THR A 118 1.577 -12.903 -3.507 1.00 0.00 N ATOM 1471 CA THR A 118 0.308 -13.267 -4.130 1.00 0.00 C ATOM 1472 C THR A 118 -0.861 -12.539 -3.472 1.00 0.00 C ATOM 1473 O THR A 118 -1.754 -12.036 -4.155 1.00 0.00 O ATOM 1474 CB THR A 118 0.062 -14.787 -4.051 1.00 0.00 C ATOM 1475 OG1 THR A 118 1.132 -15.491 -4.694 1.00 0.00 O ATOM 1476 CG2 THR A 118 -1.259 -15.159 -4.708 1.00 0.00 C ATOM 0 H THR A 118 2.162 -13.697 -3.246 1.00 0.00 H new ATOM 0 HA THR A 118 0.373 -12.968 -5.176 1.00 0.00 H new ATOM 0 HB THR A 118 0.019 -15.069 -2.999 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.969 -16.456 -4.638 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.409 -16.236 -4.639 1.00 0.00 H new ATOM 0 HG22 THR A 118 -2.075 -14.646 -4.200 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.240 -14.862 -5.757 1.00 0.00 H new ATOM 1484 N GLN A 119 -0.847 -12.484 -2.144 1.00 0.00 N ATOM 1485 CA GLN A 119 -1.902 -11.816 -1.394 1.00 0.00 C ATOM 1486 C GLN A 119 -1.900 -10.314 -1.666 1.00 0.00 C ATOM 1487 O GLN A 119 -2.950 -9.674 -1.662 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.730 -12.081 0.102 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.840 -11.496 0.957 1.00 0.00 C ATOM 1490 CD GLN A 119 -4.204 -12.061 0.613 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -4.429 -13.268 0.703 1.00 0.00 O ATOM 1492 NE2 GLN A 119 -5.125 -11.189 0.220 1.00 0.00 N ATOM 0 H GLN A 119 -0.115 -12.895 -1.565 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.861 -12.219 -1.720 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.684 -13.157 0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.776 -11.667 0.428 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -2.625 -11.691 2.008 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.858 -10.413 0.831 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.895 -10.197 0.160 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -6.062 -11.511 -0.021 1.00 0.00 H new ATOM 1501 N VAL A 120 -0.712 -9.758 -1.895 1.00 0.00 N ATOM 1502 CA VAL A 120 -0.567 -8.330 -2.166 1.00 0.00 C ATOM 1503 C VAL A 120 -1.472 -7.881 -3.313 1.00 0.00 C ATOM 1504 O VAL A 120 -2.173 -6.874 -3.205 1.00 0.00 O ATOM 1505 CB VAL A 120 0.895 -7.975 -2.515 1.00 0.00 C ATOM 1506 CG1 VAL A 120 1.007 -6.536 -2.999 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.809 -8.216 -1.324 1.00 0.00 C ATOM 0 H VAL A 120 0.166 -10.277 -1.898 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.861 -7.807 -1.256 1.00 0.00 H new ATOM 0 HB VAL A 120 1.214 -8.629 -3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 120 2.047 -6.312 -3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.393 -6.403 -3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.661 -5.861 -2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.833 -7.959 -1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.488 -7.596 -0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.762 -9.266 -1.036 1.00 0.00 H new ATOM 1517 N GLN A 121 -1.445 -8.628 -4.412 1.00 0.00 N ATOM 1518 CA GLN A 121 -2.242 -8.311 -5.578 1.00 0.00 C ATOM 1519 C GLN A 121 -3.738 -8.405 -5.285 1.00 0.00 C ATOM 1520 O GLN A 121 -4.503 -7.502 -5.622 1.00 0.00 O ATOM 1521 CB GLN A 121 -1.867 -9.264 -6.708 1.00 0.00 C ATOM 1522 CG GLN A 121 -2.632 -9.003 -7.980 1.00 0.00 C ATOM 1523 CD GLN A 121 -2.253 -9.950 -9.102 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -2.399 -11.166 -8.980 1.00 0.00 O ATOM 1525 NE2 GLN A 121 -1.760 -9.395 -10.203 1.00 0.00 N ATOM 0 H GLN A 121 -0.871 -9.465 -4.513 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.034 -7.282 -5.870 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -0.799 -9.177 -6.909 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -2.049 -10.289 -6.386 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -3.700 -9.093 -7.781 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -2.453 -7.977 -8.301 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -1.656 -8.382 -10.261 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -1.485 -9.982 -10.991 1.00 0.00 H new ATOM 1534 N SER A 122 -4.150 -9.509 -4.669 1.00 0.00 N ATOM 1535 CA SER A 122 -5.557 -9.728 -4.342 1.00 0.00 C ATOM 1536 C SER A 122 -6.084 -8.658 -3.390 1.00 0.00 C ATOM 1537 O SER A 122 -7.218 -8.198 -3.531 1.00 0.00 O ATOM 1538 CB SER A 122 -5.745 -11.114 -3.723 1.00 0.00 C ATOM 1539 OG SER A 122 -4.983 -11.253 -2.538 1.00 0.00 O ATOM 0 H SER A 122 -3.529 -10.267 -4.386 1.00 0.00 H new ATOM 0 HA SER A 122 -6.127 -9.665 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.800 -11.276 -3.501 1.00 0.00 H new ATOM 0 HB3 SER A 122 -5.449 -11.879 -4.441 1.00 0.00 H new ATOM 0 HG SER A 122 -4.257 -10.595 -2.537 1.00 0.00 H new ATOM 1545 N THR A 123 -5.262 -8.271 -2.420 1.00 0.00 N ATOM 1546 CA THR A 123 -5.654 -7.262 -1.443 1.00 0.00 C ATOM 1547 C THR A 123 -6.064 -5.960 -2.121 1.00 0.00 C ATOM 1548 O THR A 123 -7.077 -5.359 -1.761 1.00 0.00 O ATOM 1549 CB THR A 123 -4.519 -6.979 -0.442 1.00 0.00 C ATOM 1550 OG1 THR A 123 -4.194 -8.178 0.273 1.00 0.00 O ATOM 1551 CG2 THR A 123 -4.918 -5.890 0.543 1.00 0.00 C ATOM 0 H THR A 123 -4.320 -8.641 -2.290 1.00 0.00 H new ATOM 0 HA THR A 123 -6.511 -7.664 -0.903 1.00 0.00 H new ATOM 0 HB THR A 123 -3.648 -6.636 -1.001 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.668 -8.770 -0.304 1.00 0.00 H new ATOM 0 HG21 THR A 123 -4.098 -5.710 1.238 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.141 -4.972 -0.000 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.801 -6.207 1.098 1.00 0.00 H new ATOM 1559 N LEU A 124 -5.282 -5.532 -3.110 1.00 0.00 N ATOM 1560 CA LEU A 124 -5.586 -4.304 -3.838 1.00 0.00 C ATOM 1561 C LEU A 124 -7.011 -4.342 -4.377 1.00 0.00 C ATOM 1562 O LEU A 124 -7.720 -3.335 -4.358 1.00 0.00 O ATOM 1563 CB LEU A 124 -4.596 -4.094 -4.990 1.00 0.00 C ATOM 1564 CG LEU A 124 -3.159 -3.757 -4.575 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -2.280 -3.580 -5.803 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -3.131 -2.504 -3.712 1.00 0.00 C ATOM 0 H LEU A 124 -4.439 -6.014 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.493 -3.469 -3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.577 -4.998 -5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -4.970 -3.291 -5.625 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.767 -4.586 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.263 -3.341 -5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.274 -4.503 -6.383 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.671 -2.769 -6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.103 -2.281 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.542 -1.666 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.728 -2.667 -2.815 1.00 0.00 H new ATOM 1578 N ILE A 125 -7.425 -5.512 -4.853 1.00 0.00 N ATOM 1579 CA ILE A 125 -8.768 -5.688 -5.395 1.00 0.00 C ATOM 1580 C ILE A 125 -9.829 -5.316 -4.363 1.00 0.00 C ATOM 1581 O ILE A 125 -10.797 -4.623 -4.676 1.00 0.00 O ATOM 1582 CB ILE A 125 -9.001 -7.144 -5.850 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -7.930 -7.568 -6.861 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -10.394 -7.298 -6.445 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -7.900 -6.719 -8.114 1.00 0.00 C ATOM 0 H ILE A 125 -6.849 -6.353 -4.874 1.00 0.00 H new ATOM 0 HA ILE A 125 -8.853 -5.025 -6.256 1.00 0.00 H new ATOM 0 HB ILE A 125 -8.926 -7.796 -4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.953 -7.524 -6.380 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -8.100 -8.607 -7.142 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -10.543 -8.331 -6.761 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -11.141 -7.037 -5.695 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -10.497 -6.637 -7.305 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.117 -7.081 -8.780 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.864 -6.782 -8.619 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -7.698 -5.682 -7.846 1.00 0.00 H new ATOM 1597 N ALA A 126 -9.639 -5.784 -3.132 1.00 0.00 N ATOM 1598 CA ALA A 126 -10.579 -5.504 -2.053 1.00 0.00 C ATOM 1599 C ALA A 126 -10.631 -4.013 -1.736 1.00 0.00 C ATOM 1600 O ALA A 126 -11.711 -3.435 -1.610 1.00 0.00 O ATOM 1601 CB ALA A 126 -10.202 -6.295 -0.809 1.00 0.00 C ATOM 0 H ALA A 126 -8.842 -6.359 -2.858 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.571 -5.811 -2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.911 -6.077 -0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -10.226 -7.361 -1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -9.199 -6.014 -0.489 1.00 0.00 H new ATOM 1607 N LEU A 127 -9.459 -3.398 -1.606 1.00 0.00 N ATOM 1608 CA LEU A 127 -9.364 -1.974 -1.301 1.00 0.00 C ATOM 1609 C LEU A 127 -10.155 -1.143 -2.307 1.00 0.00 C ATOM 1610 O LEU A 127 -10.724 -0.107 -1.962 1.00 0.00 O ATOM 1611 CB LEU A 127 -7.899 -1.529 -1.293 1.00 0.00 C ATOM 1612 CG LEU A 127 -7.667 -0.052 -0.962 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -8.233 0.285 0.411 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -6.184 0.281 -1.022 1.00 0.00 C ATOM 0 H LEU A 127 -8.558 -3.866 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 127 -9.792 -1.813 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -7.356 -2.136 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.467 -1.737 -2.272 1.00 0.00 H new ATOM 0 HG LEU A 127 -8.187 0.552 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -8.058 1.339 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -9.304 0.085 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -7.742 -0.327 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.038 1.335 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.644 -0.332 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.806 0.080 -2.024 1.00 0.00 H new ATOM 1626 N ALA A 128 -10.186 -1.608 -3.551 1.00 0.00 N ATOM 1627 CA ALA A 128 -10.905 -0.917 -4.614 1.00 0.00 C ATOM 1628 C ALA A 128 -12.372 -0.735 -4.247 1.00 0.00 C ATOM 1629 O ALA A 128 -12.967 0.307 -4.522 1.00 0.00 O ATOM 1630 CB ALA A 128 -10.776 -1.680 -5.923 1.00 0.00 C ATOM 0 H ALA A 128 -9.719 -2.465 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.461 0.070 -4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.318 -1.152 -6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.724 -1.756 -6.197 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -11.193 -2.680 -5.804 1.00 0.00 H new ATOM 1636 N SER A 129 -12.946 -1.757 -3.621 1.00 0.00 N ATOM 1637 CA SER A 129 -14.343 -1.716 -3.208 1.00 0.00 C ATOM 1638 C SER A 129 -14.603 -0.521 -2.297 1.00 0.00 C ATOM 1639 O SER A 129 -15.652 0.118 -2.378 1.00 0.00 O ATOM 1640 CB SER A 129 -14.725 -3.012 -2.490 1.00 0.00 C ATOM 1641 OG SER A 129 -16.081 -2.989 -2.081 1.00 0.00 O ATOM 0 H SER A 129 -12.464 -2.625 -3.388 1.00 0.00 H new ATOM 0 HA SER A 129 -14.958 -1.612 -4.102 1.00 0.00 H new ATOM 0 HB2 SER A 129 -14.556 -3.861 -3.152 1.00 0.00 H new ATOM 0 HB3 SER A 129 -14.082 -3.153 -1.621 1.00 0.00 H new ATOM 0 HG SER A 129 -16.300 -3.829 -1.626 1.00 0.00 H new ATOM 1647 N GLN A 130 -13.638 -0.222 -1.430 1.00 0.00 N ATOM 1648 CA GLN A 130 -13.758 0.892 -0.509 1.00 0.00 C ATOM 1649 C GLN A 130 -13.761 2.225 -1.246 1.00 0.00 C ATOM 1650 O GLN A 130 -14.684 3.024 -1.104 1.00 0.00 O ATOM 1651 CB GLN A 130 -12.609 0.854 0.486 1.00 0.00 C ATOM 1652 CG GLN A 130 -12.829 -0.103 1.648 1.00 0.00 C ATOM 1653 CD GLN A 130 -13.050 -1.533 1.199 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -12.192 -2.133 0.553 1.00 0.00 O ATOM 1655 NE2 GLN A 130 -14.206 -2.088 1.541 1.00 0.00 N ATOM 0 H GLN A 130 -12.764 -0.741 -1.351 1.00 0.00 H new ATOM 0 HA GLN A 130 -14.707 0.799 0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -11.697 0.569 -0.038 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -12.450 1.858 0.880 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -11.965 -0.065 2.312 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -13.691 0.228 2.227 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -14.889 -1.554 2.077 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -14.411 -3.049 1.267 1.00 0.00 H new ATOM 1664 N ALA A 131 -12.718 2.459 -2.031 1.00 0.00 N ATOM 1665 CA ALA A 131 -12.592 3.696 -2.789 1.00 0.00 C ATOM 1666 C ALA A 131 -13.787 3.905 -3.715 1.00 0.00 C ATOM 1667 O ALA A 131 -14.178 5.039 -3.992 1.00 0.00 O ATOM 1668 CB ALA A 131 -11.295 3.689 -3.582 1.00 0.00 C ATOM 0 H ALA A 131 -11.945 1.806 -2.160 1.00 0.00 H new ATOM 0 HA ALA A 131 -12.573 4.527 -2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -11.208 4.618 -4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -10.451 3.600 -2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -11.294 2.844 -4.271 1.00 0.00 H new ATOM 1674 N LYS A 132 -14.359 2.805 -4.193 1.00 0.00 N ATOM 1675 CA LYS A 132 -15.497 2.853 -5.086 1.00 0.00 C ATOM 1676 C LYS A 132 -16.661 3.626 -4.470 1.00 0.00 C ATOM 1677 O LYS A 132 -17.164 4.580 -5.063 1.00 0.00 O ATOM 1678 CB LYS A 132 -15.926 1.428 -5.418 1.00 0.00 C ATOM 1679 CG LYS A 132 -17.157 1.370 -6.287 1.00 0.00 C ATOM 1680 CD LYS A 132 -17.546 -0.061 -6.627 1.00 0.00 C ATOM 1681 CE LYS A 132 -17.900 -0.858 -5.381 1.00 0.00 C ATOM 1682 NZ LYS A 132 -18.282 -2.260 -5.708 1.00 0.00 N ATOM 0 H LYS A 132 -14.044 1.861 -3.970 1.00 0.00 H new ATOM 0 HA LYS A 132 -15.205 3.376 -5.996 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -15.107 0.916 -5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -16.116 0.887 -4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -17.986 1.859 -5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -16.978 1.926 -7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -18.396 -0.055 -7.309 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -16.722 -0.548 -7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -17.049 -0.863 -4.700 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -18.723 -0.370 -4.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -18.516 -2.769 -4.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -19.110 -2.256 -6.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -17.488 -2.735 -6.183 1.00 0.00 H new ATOM 1696 N THR A 133 -17.088 3.209 -3.282 1.00 0.00 N ATOM 1697 CA THR A 133 -18.196 3.868 -2.597 1.00 0.00 C ATOM 1698 C THR A 133 -17.800 5.261 -2.113 1.00 0.00 C ATOM 1699 O THR A 133 -18.560 6.218 -2.267 1.00 0.00 O ATOM 1700 CB THR A 133 -18.706 3.032 -1.408 1.00 0.00 C ATOM 1701 OG1 THR A 133 -19.680 3.776 -0.666 1.00 0.00 O ATOM 1702 CG2 THR A 133 -17.563 2.627 -0.493 1.00 0.00 C ATOM 0 H THR A 133 -16.686 2.421 -2.775 1.00 0.00 H new ATOM 0 HA THR A 133 -19.002 3.964 -3.324 1.00 0.00 H new ATOM 0 HB THR A 133 -19.166 2.127 -1.804 1.00 0.00 H new ATOM 0 HG1 THR A 133 -20.000 3.236 0.087 1.00 0.00 H new ATOM 0 HG21 THR A 133 -17.953 2.038 0.337 1.00 0.00 H new ATOM 0 HG22 THR A 133 -16.842 2.032 -1.053 1.00 0.00 H new ATOM 0 HG23 THR A 133 -17.073 3.520 -0.106 1.00 0.00 H new ATOM 1710 N LYS A 134 -16.607 5.374 -1.534 1.00 0.00 N ATOM 1711 CA LYS A 134 -16.116 6.658 -1.041 1.00 0.00 C ATOM 1712 C LYS A 134 -16.027 7.676 -2.173 1.00 0.00 C ATOM 1713 O LYS A 134 -15.770 7.262 -3.323 1.00 0.00 O ATOM 1714 CB LYS A 134 -14.742 6.495 -0.381 1.00 0.00 C ATOM 1715 CG LYS A 134 -14.794 6.006 1.061 1.00 0.00 C ATOM 1716 CD LYS A 134 -15.501 4.672 1.191 1.00 0.00 C ATOM 1717 CE LYS A 134 -15.531 4.205 2.634 1.00 0.00 C ATOM 1718 NZ LYS A 134 -16.225 5.179 3.521 1.00 0.00 N ATOM 1719 OXT LYS A 134 -16.215 8.881 -1.899 1.00 0.00 O ATOM 0 H LYS A 134 -15.964 4.594 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 134 -16.825 7.022 -0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -14.150 5.794 -0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -14.222 7.453 -0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -13.779 5.916 1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -15.305 6.747 1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -16.520 4.759 0.813 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -14.995 3.928 0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -16.034 3.240 2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -14.511 4.055 2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -16.434 4.729 4.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -15.613 6.006 3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -17.113 5.484 3.074 1.00 0.00 H new TER 1733 LYS A 134