USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 831 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 139 TYR OH : rot 132:sc= 0.00612 USER MOD Set 1.2: B 166 THR OG1 : rot 180:sc= 0.00579 USER MOD Set 2.1: A 93 LYS NZ :NH3+ 144:sc= -6.03! (180deg=-3.24!) USER MOD Set 2.2: A 96 HIS : no HD1:sc= -4.39! K(o=-10!,f=-8.1) USER MOD Set 3.1: A 59 SER OG : rot 132:sc= 0.0567 USER MOD Set 3.2: A 140 SER OG : rot -174:sc= -1.1! USER MOD Set 4.1: A 28 ASN : amide:sc= -20.6! C(o=-25!,f=-16!) USER MOD Set 4.2: A 54 SER OG : rot -162:sc= -3.98! USER MOD Single : A 1 GLU N :NH3+ -140:sc= -0.222 (180deg=-1.34!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 7 ASN : amide:sc=-0.00923 X(o=-0.0092,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -2.51 K(o=-2.5,f=-0.00055) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot -128:sc= -7.61! USER MOD Single : A 20 SER OG : rot 180:sc= -3.17! USER MOD Single : A 23 THR OG1 : rot -140:sc= -1.55! USER MOD Single : A 32 SER OG : rot 130:sc= -2.68! USER MOD Single : A 38 THR OG1 : rot 79:sc= -0.641 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.59) USER MOD Single : A 52 THR OG1 : rot -58:sc= 0.00231 USER MOD Single : A 56 LYS NZ :NH3+ -145:sc= -0.543 (180deg=-2.86!) USER MOD Single : A 57 THR OG1 : rot -84:sc= 1.37 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 18:sc= -4.59! USER MOD Single : A 62 LYS NZ :NH3+ -152:sc= -0.312 (180deg=-2.07!) USER MOD Single : A 63 ASN : amide:sc= -0.443 K(o=-0.44,f=-1.7) USER MOD Single : A 67 GLN : amide:sc= -0.626 K(o=-0.63,f=0) USER MOD Single : A 68 CYS SG : rot 18:sc= 1.02 USER MOD Single : A 72 SER OG : rot 7:sc= -1.62! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -2.81 K(o=-2.8,f=-9.5!) USER MOD Single : A 98 TYR OH : rot -54:sc= 0.74 USER MOD Single : A 99 MET CE :methyl -147:sc= -2.54 (180deg=-7.47!) USER MOD Single : A 136 TYR OH : rot 86:sc= -2.43! USER MOD Single : A 137 TYR OH : rot -61:sc= -2.82! USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 SER OG : rot 180:sc= -0.113 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : B 165 SER OG : rot 40:sc= 0.187 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -7.757 -22.411 10.012 1.00 0.00 N ATOM 2 CA GLU A 1 -6.632 -21.490 10.347 1.00 0.00 C ATOM 3 C GLU A 1 -6.370 -20.530 9.183 1.00 0.00 C ATOM 4 O GLU A 1 -6.903 -19.440 9.133 1.00 0.00 O ATOM 5 CB GLU A 1 -5.426 -22.403 10.571 1.00 0.00 C ATOM 6 CG GLU A 1 -5.670 -23.278 11.803 1.00 0.00 C ATOM 7 CD GLU A 1 -5.121 -24.683 11.548 1.00 0.00 C ATOM 8 OE1 GLU A 1 -3.931 -24.876 11.735 1.00 0.00 O ATOM 9 OE2 GLU A 1 -5.900 -25.543 11.169 1.00 0.00 O ATOM 0 H1 GLU A 1 -8.357 -22.546 10.851 1.00 0.00 H new ATOM 0 H2 GLU A 1 -8.324 -22.001 9.243 1.00 0.00 H new ATOM 0 H3 GLU A 1 -7.375 -23.329 9.708 1.00 0.00 H new ATOM 0 HA GLU A 1 -6.847 -20.877 11.222 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -5.262 -23.029 9.694 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -4.525 -21.806 10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -5.185 -22.840 12.675 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -6.737 -23.327 12.022 1.00 0.00 H new ATOM 15 N TYR A 2 -5.552 -20.927 8.247 1.00 0.00 N ATOM 16 CA TYR A 2 -5.256 -20.037 7.087 1.00 0.00 C ATOM 17 C TYR A 2 -6.557 -19.614 6.400 1.00 0.00 C ATOM 18 O TYR A 2 -6.691 -18.499 5.935 1.00 0.00 O ATOM 19 CB TYR A 2 -4.400 -20.883 6.144 1.00 0.00 C ATOM 20 CG TYR A 2 -5.263 -21.931 5.484 1.00 0.00 C ATOM 21 CD1 TYR A 2 -5.572 -23.114 6.164 1.00 0.00 C ATOM 22 CD2 TYR A 2 -5.755 -21.719 4.190 1.00 0.00 C ATOM 23 CE1 TYR A 2 -6.373 -24.086 5.552 1.00 0.00 C ATOM 24 CE2 TYR A 2 -6.556 -22.690 3.578 1.00 0.00 C ATOM 25 CZ TYR A 2 -6.865 -23.873 4.259 1.00 0.00 C ATOM 26 OH TYR A 2 -7.654 -24.831 3.655 1.00 0.00 O ATOM 0 H TYR A 2 -5.076 -21.829 8.235 1.00 0.00 H new ATOM 0 HA TYR A 2 -4.745 -19.123 7.388 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -3.938 -20.249 5.388 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -3.591 -21.359 6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -5.192 -23.278 7.162 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.516 -20.806 3.664 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -6.611 -24.999 6.077 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -6.936 -22.526 2.580 1.00 0.00 H new ATOM 0 HH TYR A 2 -7.912 -24.526 2.760 1.00 0.00 H new ATOM 36 N GLN A 3 -7.517 -20.495 6.333 1.00 0.00 N ATOM 37 CA GLN A 3 -8.809 -20.141 5.679 1.00 0.00 C ATOM 38 C GLN A 3 -9.392 -18.880 6.322 1.00 0.00 C ATOM 39 O GLN A 3 -10.043 -18.083 5.675 1.00 0.00 O ATOM 40 CB GLN A 3 -9.722 -21.342 5.928 1.00 0.00 C ATOM 41 CG GLN A 3 -10.698 -21.495 4.760 1.00 0.00 C ATOM 42 CD GLN A 3 -10.931 -22.980 4.479 1.00 0.00 C ATOM 43 OE1 GLN A 3 -10.974 -23.394 3.337 1.00 0.00 O ATOM 44 NE2 GLN A 3 -11.083 -23.804 5.478 1.00 0.00 N ATOM 0 H GLN A 3 -7.463 -21.444 6.703 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.693 -19.934 4.615 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -9.126 -22.248 6.038 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -10.272 -21.207 6.859 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -11.643 -21.006 4.996 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -10.299 -21.005 3.872 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -11.047 -23.456 6.436 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.238 -24.797 5.301 1.00 0.00 H new ATOM 53 N LEU A 4 -9.163 -18.695 7.592 1.00 0.00 N ATOM 54 CA LEU A 4 -9.702 -17.489 8.282 1.00 0.00 C ATOM 55 C LEU A 4 -9.160 -16.214 7.627 1.00 0.00 C ATOM 56 O LEU A 4 -9.894 -15.289 7.341 1.00 0.00 O ATOM 57 CB LEU A 4 -9.195 -17.613 9.720 1.00 0.00 C ATOM 58 CG LEU A 4 -9.843 -18.826 10.388 1.00 0.00 C ATOM 59 CD1 LEU A 4 -8.855 -19.460 11.368 1.00 0.00 C ATOM 60 CD2 LEU A 4 -11.096 -18.382 11.146 1.00 0.00 C ATOM 0 H LEU A 4 -8.625 -19.328 8.184 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.789 -17.428 8.230 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.110 -17.718 9.726 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.431 -16.708 10.279 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.117 -19.555 9.626 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.318 -20.325 11.843 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.962 -19.777 10.830 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.580 -18.731 12.130 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.558 -19.246 11.622 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.821 -17.652 11.907 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.802 -17.931 10.449 1.00 0.00 H new ATOM 72 N VAL A 5 -7.877 -16.159 7.394 1.00 0.00 N ATOM 73 CA VAL A 5 -7.275 -14.948 6.763 1.00 0.00 C ATOM 74 C VAL A 5 -7.803 -14.759 5.335 1.00 0.00 C ATOM 75 O VAL A 5 -8.144 -13.665 4.932 1.00 0.00 O ATOM 76 CB VAL A 5 -5.772 -15.232 6.750 1.00 0.00 C ATOM 77 CG1 VAL A 5 -5.111 -14.493 5.585 1.00 0.00 C ATOM 78 CG2 VAL A 5 -5.157 -14.756 8.066 1.00 0.00 C ATOM 0 H VAL A 5 -7.216 -16.904 7.614 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.521 -14.034 7.303 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.610 -16.303 6.632 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.041 -14.700 5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.548 -14.831 4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.272 -13.421 5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.086 -14.957 8.061 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.325 -13.685 8.180 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.621 -15.286 8.897 1.00 0.00 H new ATOM 88 N VAL A 6 -7.860 -15.811 4.568 1.00 0.00 N ATOM 89 CA VAL A 6 -8.350 -15.686 3.163 1.00 0.00 C ATOM 90 C VAL A 6 -9.771 -15.109 3.137 1.00 0.00 C ATOM 91 O VAL A 6 -10.140 -14.388 2.232 1.00 0.00 O ATOM 92 CB VAL A 6 -8.326 -17.116 2.609 1.00 0.00 C ATOM 93 CG1 VAL A 6 -9.707 -17.761 2.750 1.00 0.00 C ATOM 94 CG2 VAL A 6 -7.935 -17.077 1.130 1.00 0.00 C ATOM 0 H VAL A 6 -7.589 -16.753 4.851 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.735 -15.010 2.569 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.600 -17.704 3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.677 -18.776 2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -9.989 -17.791 3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.440 -17.176 2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.917 -18.091 0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.663 -16.483 0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.947 -16.629 1.027 1.00 0.00 H new ATOM 104 N ASN A 7 -10.571 -15.420 4.119 1.00 0.00 N ATOM 105 CA ASN A 7 -11.965 -14.887 4.142 1.00 0.00 C ATOM 106 C ASN A 7 -11.963 -13.385 4.451 1.00 0.00 C ATOM 107 O ASN A 7 -12.720 -12.624 3.881 1.00 0.00 O ATOM 108 CB ASN A 7 -12.667 -15.662 5.257 1.00 0.00 C ATOM 109 CG ASN A 7 -14.031 -15.028 5.537 1.00 0.00 C ATOM 110 OD1 ASN A 7 -14.362 -14.747 6.672 1.00 0.00 O ATOM 111 ND2 ASN A 7 -14.842 -14.789 4.543 1.00 0.00 N ATOM 0 H ASN A 7 -10.322 -16.019 4.906 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.465 -15.008 3.181 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -12.791 -16.705 4.967 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -12.057 -15.653 6.160 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -15.754 -14.366 4.719 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.564 -15.025 3.590 1.00 0.00 H new ATOM 118 N ALA A 8 -11.127 -12.956 5.358 1.00 0.00 N ATOM 119 CA ALA A 8 -11.086 -11.506 5.715 1.00 0.00 C ATOM 120 C ALA A 8 -10.363 -10.701 4.632 1.00 0.00 C ATOM 121 O ALA A 8 -10.807 -9.644 4.231 1.00 0.00 O ATOM 122 CB ALA A 8 -10.295 -11.453 7.016 1.00 0.00 C ATOM 0 H ALA A 8 -10.470 -13.546 5.868 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.085 -11.081 5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.216 -10.419 7.352 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.806 -12.044 7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.297 -11.858 6.852 1.00 0.00 H new ATOM 128 N VAL A 9 -9.253 -11.192 4.160 1.00 0.00 N ATOM 129 CA VAL A 9 -8.500 -10.455 3.106 1.00 0.00 C ATOM 130 C VAL A 9 -9.396 -10.222 1.894 1.00 0.00 C ATOM 131 O VAL A 9 -9.345 -9.187 1.263 1.00 0.00 O ATOM 132 CB VAL A 9 -7.319 -11.352 2.738 1.00 0.00 C ATOM 133 CG1 VAL A 9 -6.286 -11.321 3.863 1.00 0.00 C ATOM 134 CG2 VAL A 9 -7.803 -12.788 2.534 1.00 0.00 C ATOM 0 H VAL A 9 -8.833 -12.073 4.458 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.163 -9.478 3.451 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.867 -10.989 1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.443 -11.961 3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.935 -10.299 4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.742 -11.681 4.785 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.957 -13.423 2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.259 -13.153 3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.539 -12.813 1.730 1.00 0.00 H new ATOM 144 N ARG A 10 -10.212 -11.177 1.554 1.00 0.00 N ATOM 145 CA ARG A 10 -11.099 -10.999 0.369 1.00 0.00 C ATOM 146 C ARG A 10 -11.911 -9.709 0.516 1.00 0.00 C ATOM 147 O ARG A 10 -11.967 -8.895 -0.385 1.00 0.00 O ATOM 148 CB ARG A 10 -12.020 -12.218 0.373 1.00 0.00 C ATOM 149 CG ARG A 10 -13.150 -12.010 -0.637 1.00 0.00 C ATOM 150 CD ARG A 10 -14.258 -13.035 -0.385 1.00 0.00 C ATOM 151 NE ARG A 10 -15.519 -12.244 -0.375 1.00 0.00 N ATOM 152 CZ ARG A 10 -16.607 -12.753 0.136 1.00 0.00 C ATOM 153 NH1 ARG A 10 -16.592 -13.957 0.639 1.00 0.00 N ATOM 154 NH2 ARG A 10 -17.711 -12.057 0.143 1.00 0.00 N ATOM 0 H ARG A 10 -10.305 -12.069 2.040 1.00 0.00 H new ATOM 0 HA ARG A 10 -10.538 -10.921 -0.562 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.454 -13.115 0.121 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.433 -12.371 1.370 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.549 -10.999 -0.549 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.768 -12.115 -1.652 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.276 -13.797 -1.165 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.109 -13.552 0.563 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.533 -11.303 -0.768 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.729 -14.501 0.633 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.443 -14.354 1.038 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -17.723 -11.116 -0.251 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -18.562 -12.454 0.542 1.00 0.00 H new ATOM 168 N LYS A 11 -12.531 -9.508 1.644 1.00 0.00 N ATOM 169 CA LYS A 11 -13.326 -8.263 1.845 1.00 0.00 C ATOM 170 C LYS A 11 -12.390 -7.091 2.163 1.00 0.00 C ATOM 171 O LYS A 11 -12.582 -5.983 1.702 1.00 0.00 O ATOM 172 CB LYS A 11 -14.238 -8.559 3.035 1.00 0.00 C ATOM 173 CG LYS A 11 -15.000 -9.863 2.783 1.00 0.00 C ATOM 174 CD LYS A 11 -16.371 -9.792 3.458 1.00 0.00 C ATOM 175 CE LYS A 11 -16.195 -9.818 4.979 1.00 0.00 C ATOM 176 NZ LYS A 11 -17.102 -8.752 5.488 1.00 0.00 N ATOM 0 H LYS A 11 -12.523 -10.151 2.436 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.896 -7.987 0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.648 -8.641 3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.940 -7.738 3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.118 -10.026 1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.434 -10.709 3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.889 -8.882 3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.989 -10.631 3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.460 -10.792 5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.160 -9.624 5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.038 -8.708 6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.822 -7.836 5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.081 -8.967 5.211 1.00 0.00 H new ATOM 190 N LEU A 12 -11.382 -7.332 2.958 1.00 0.00 N ATOM 191 CA LEU A 12 -10.428 -6.243 3.324 1.00 0.00 C ATOM 192 C LEU A 12 -9.529 -5.877 2.137 1.00 0.00 C ATOM 193 O LEU A 12 -9.089 -4.753 2.007 1.00 0.00 O ATOM 194 CB LEU A 12 -9.596 -6.822 4.477 1.00 0.00 C ATOM 195 CG LEU A 12 -8.117 -6.453 4.304 1.00 0.00 C ATOM 196 CD1 LEU A 12 -7.944 -4.939 4.439 1.00 0.00 C ATOM 197 CD2 LEU A 12 -7.285 -7.155 5.380 1.00 0.00 C ATOM 0 H LEU A 12 -11.177 -8.241 3.372 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.945 -5.326 3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.965 -6.439 5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.706 -7.906 4.506 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.781 -6.770 3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.892 -4.681 4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.534 -4.436 3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.283 -4.621 5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.234 -6.892 5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.625 -6.839 6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.403 -8.234 5.284 1.00 0.00 H new ATOM 209 N GLN A 13 -9.224 -6.820 1.287 1.00 0.00 N ATOM 210 CA GLN A 13 -8.321 -6.512 0.140 1.00 0.00 C ATOM 211 C GLN A 13 -8.906 -5.408 -0.744 1.00 0.00 C ATOM 212 O GLN A 13 -8.199 -4.528 -1.193 1.00 0.00 O ATOM 213 CB GLN A 13 -8.208 -7.820 -0.646 1.00 0.00 C ATOM 214 CG GLN A 13 -7.090 -8.680 -0.049 1.00 0.00 C ATOM 215 CD GLN A 13 -6.947 -9.968 -0.862 1.00 0.00 C ATOM 216 OE1 GLN A 13 -5.963 -10.160 -1.548 1.00 0.00 O ATOM 217 NE2 GLN A 13 -7.894 -10.864 -0.815 1.00 0.00 N ATOM 0 H GLN A 13 -9.558 -7.783 1.336 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.351 -6.151 0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.154 -8.360 -0.612 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.999 -7.609 -1.695 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.150 -8.128 -0.054 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.315 -8.917 0.991 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.720 -10.703 -0.239 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.808 -11.726 -1.354 1.00 0.00 H new ATOM 226 N GLU A 14 -10.182 -5.438 -1.003 1.00 0.00 N ATOM 227 CA GLU A 14 -10.780 -4.376 -1.861 1.00 0.00 C ATOM 228 C GLU A 14 -10.966 -3.080 -1.064 1.00 0.00 C ATOM 229 O GLU A 14 -10.541 -2.018 -1.472 1.00 0.00 O ATOM 230 CB GLU A 14 -12.134 -4.936 -2.296 1.00 0.00 C ATOM 231 CG GLU A 14 -12.968 -3.822 -2.933 1.00 0.00 C ATOM 232 CD GLU A 14 -13.567 -4.323 -4.249 1.00 0.00 C ATOM 233 OE1 GLU A 14 -14.130 -5.405 -4.247 1.00 0.00 O ATOM 234 OE2 GLU A 14 -13.453 -3.614 -5.236 1.00 0.00 O ATOM 0 H GLU A 14 -10.833 -6.145 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.144 -4.131 -2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.991 -5.750 -3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.660 -5.352 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.762 -3.514 -2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.346 -2.946 -3.114 1.00 0.00 H new ATOM 241 N SER A 15 -11.612 -3.165 0.066 1.00 0.00 N ATOM 242 CA SER A 15 -11.847 -1.947 0.897 1.00 0.00 C ATOM 243 C SER A 15 -10.565 -1.482 1.599 1.00 0.00 C ATOM 244 O SER A 15 -10.291 -0.302 1.686 1.00 0.00 O ATOM 245 CB SER A 15 -12.891 -2.374 1.927 1.00 0.00 C ATOM 246 OG SER A 15 -12.759 -1.570 3.091 1.00 0.00 O ATOM 0 H SER A 15 -11.990 -4.030 0.453 1.00 0.00 H new ATOM 0 HA SER A 15 -12.176 -1.106 0.286 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.893 -2.270 1.511 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.759 -3.426 2.181 1.00 0.00 H new ATOM 0 HG SER A 15 -13.429 -1.841 3.753 1.00 0.00 H new ATOM 252 N GLY A 16 -9.799 -2.394 2.134 1.00 0.00 N ATOM 253 CA GLY A 16 -8.564 -1.991 2.868 1.00 0.00 C ATOM 254 C GLY A 16 -7.353 -1.929 1.931 1.00 0.00 C ATOM 255 O GLY A 16 -6.429 -2.705 2.064 1.00 0.00 O ATOM 0 H GLY A 16 -9.974 -3.398 2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.717 -1.017 3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.368 -2.701 3.672 1.00 0.00 H new ATOM 259 N PHE A 17 -7.342 -0.994 1.011 1.00 0.00 N ATOM 260 CA PHE A 17 -6.177 -0.847 0.075 1.00 0.00 C ATOM 261 C PHE A 17 -5.130 -1.932 0.336 1.00 0.00 C ATOM 262 O PHE A 17 -4.078 -1.679 0.888 1.00 0.00 O ATOM 263 CB PHE A 17 -5.598 0.535 0.391 1.00 0.00 C ATOM 264 CG PHE A 17 -5.989 0.936 1.794 1.00 0.00 C ATOM 265 CD1 PHE A 17 -5.429 0.274 2.894 1.00 0.00 C ATOM 266 CD2 PHE A 17 -6.921 1.962 1.995 1.00 0.00 C ATOM 267 CE1 PHE A 17 -5.800 0.637 4.193 1.00 0.00 C ATOM 268 CE2 PHE A 17 -7.291 2.327 3.295 1.00 0.00 C ATOM 269 CZ PHE A 17 -6.730 1.664 4.395 1.00 0.00 C ATOM 0 H PHE A 17 -8.094 -0.321 0.866 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.476 -0.947 -0.968 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.512 0.517 0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.968 1.269 -0.325 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.710 -0.517 2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.354 2.472 1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.369 0.125 5.040 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.008 3.119 3.450 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.015 1.945 5.398 1.00 0.00 H new ATOM 279 N TYR A 18 -5.423 -3.142 -0.041 1.00 0.00 N ATOM 280 CA TYR A 18 -4.464 -4.258 0.200 1.00 0.00 C ATOM 281 C TYR A 18 -3.517 -4.435 -0.989 1.00 0.00 C ATOM 282 O TYR A 18 -3.925 -4.408 -2.134 1.00 0.00 O ATOM 283 CB TYR A 18 -5.351 -5.487 0.368 1.00 0.00 C ATOM 284 CG TYR A 18 -4.513 -6.695 0.705 1.00 0.00 C ATOM 285 CD1 TYR A 18 -3.588 -7.192 -0.220 1.00 0.00 C ATOM 286 CD2 TYR A 18 -4.668 -7.323 1.946 1.00 0.00 C ATOM 287 CE1 TYR A 18 -2.817 -8.317 0.097 1.00 0.00 C ATOM 288 CE2 TYR A 18 -3.898 -8.446 2.264 1.00 0.00 C ATOM 289 CZ TYR A 18 -2.972 -8.944 1.340 1.00 0.00 C ATOM 290 OH TYR A 18 -2.215 -10.051 1.654 1.00 0.00 O ATOM 0 H TYR A 18 -6.289 -3.410 -0.508 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.829 -4.077 1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.082 -5.311 1.157 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.910 -5.668 -0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.469 -6.708 -1.178 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.383 -6.940 2.659 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.103 -8.701 -0.617 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.018 -8.929 3.222 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.803 -10.775 1.956 1.00 0.00 H new ATOM 300 N TRP A 19 -2.253 -4.623 -0.721 1.00 0.00 N ATOM 301 CA TRP A 19 -1.270 -4.811 -1.824 1.00 0.00 C ATOM 302 C TRP A 19 -0.649 -6.208 -1.738 1.00 0.00 C ATOM 303 O TRP A 19 -0.493 -6.762 -0.668 1.00 0.00 O ATOM 304 CB TRP A 19 -0.205 -3.739 -1.597 1.00 0.00 C ATOM 305 CG TRP A 19 -0.835 -2.384 -1.650 1.00 0.00 C ATOM 306 CD1 TRP A 19 -1.860 -1.970 -0.869 1.00 0.00 C ATOM 307 CD2 TRP A 19 -0.496 -1.258 -2.510 1.00 0.00 C ATOM 308 NE1 TRP A 19 -2.168 -0.661 -1.192 1.00 0.00 N ATOM 309 CE2 TRP A 19 -1.356 -0.179 -2.200 1.00 0.00 C ATOM 310 CE3 TRP A 19 0.466 -1.070 -3.519 1.00 0.00 C ATOM 311 CZ2 TRP A 19 -1.266 1.044 -2.867 1.00 0.00 C ATOM 312 CZ3 TRP A 19 0.560 0.159 -4.193 1.00 0.00 C ATOM 313 CH2 TRP A 19 -0.304 1.213 -3.867 1.00 0.00 C ATOM 0 H TRP A 19 -1.858 -4.654 0.219 1.00 0.00 H new ATOM 0 HA TRP A 19 -1.731 -4.723 -2.808 1.00 0.00 H new ATOM 0 HB2 TRP A 19 0.276 -3.889 -0.631 1.00 0.00 H new ATOM 0 HB3 TRP A 19 0.573 -3.819 -2.356 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -2.356 -2.565 -0.116 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -2.904 -0.118 -0.741 1.00 0.00 H new ATOM 0 HE3 TRP A 19 1.137 -1.876 -3.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -1.934 1.853 -2.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 1.302 0.292 -4.966 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -0.227 2.156 -4.388 1.00 0.00 H new ATOM 324 N SER A 20 -0.301 -6.783 -2.854 1.00 0.00 N ATOM 325 CA SER A 20 0.304 -8.147 -2.836 1.00 0.00 C ATOM 326 C SER A 20 1.400 -8.247 -3.895 1.00 0.00 C ATOM 327 O SER A 20 1.726 -9.317 -4.370 1.00 0.00 O ATOM 328 CB SER A 20 -0.847 -9.079 -3.186 1.00 0.00 C ATOM 329 OG SER A 20 -1.136 -9.912 -2.071 1.00 0.00 O ATOM 0 H SER A 20 -0.409 -6.369 -3.780 1.00 0.00 H new ATOM 0 HA SER A 20 0.760 -8.389 -1.876 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.729 -8.499 -3.459 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.586 -9.688 -4.051 1.00 0.00 H new ATOM 0 HG SER A 20 -1.878 -10.512 -2.294 1.00 0.00 H new ATOM 335 N ALA A 21 1.959 -7.139 -4.275 1.00 0.00 N ATOM 336 CA ALA A 21 3.027 -7.160 -5.317 1.00 0.00 C ATOM 337 C ALA A 21 4.412 -6.993 -4.685 1.00 0.00 C ATOM 338 O ALA A 21 5.414 -6.979 -5.373 1.00 0.00 O ATOM 339 CB ALA A 21 2.710 -5.975 -6.228 1.00 0.00 C ATOM 0 H ALA A 21 1.726 -6.215 -3.911 1.00 0.00 H new ATOM 0 HA ALA A 21 3.047 -8.106 -5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.452 -5.920 -7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.719 -6.106 -6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.732 -5.053 -5.647 1.00 0.00 H new ATOM 345 N VAL A 22 4.487 -6.863 -3.389 1.00 0.00 N ATOM 346 CA VAL A 22 5.818 -6.697 -2.741 1.00 0.00 C ATOM 347 C VAL A 22 6.088 -7.854 -1.776 1.00 0.00 C ATOM 348 O VAL A 22 5.512 -8.917 -1.889 1.00 0.00 O ATOM 349 CB VAL A 22 5.744 -5.365 -1.988 1.00 0.00 C ATOM 350 CG1 VAL A 22 6.513 -4.301 -2.770 1.00 0.00 C ATOM 351 CG2 VAL A 22 4.285 -4.922 -1.841 1.00 0.00 C ATOM 0 H VAL A 22 3.689 -6.864 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 22 6.629 -6.699 -3.469 1.00 0.00 H new ATOM 0 HB VAL A 22 6.182 -5.492 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.463 -3.351 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.555 -4.606 -2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.071 -4.186 -3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.245 -3.974 -1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.841 -4.799 -2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.730 -5.677 -1.285 1.00 0.00 H new ATOM 361 N THR A 23 6.964 -7.657 -0.830 1.00 0.00 N ATOM 362 CA THR A 23 7.274 -8.748 0.138 1.00 0.00 C ATOM 363 C THR A 23 6.434 -8.588 1.406 1.00 0.00 C ATOM 364 O THR A 23 5.822 -7.562 1.632 1.00 0.00 O ATOM 365 CB THR A 23 8.761 -8.588 0.456 1.00 0.00 C ATOM 366 OG1 THR A 23 9.385 -7.829 -0.571 1.00 0.00 O ATOM 367 CG2 THR A 23 9.417 -9.968 0.543 1.00 0.00 C ATOM 0 H THR A 23 7.479 -6.788 -0.685 1.00 0.00 H new ATOM 0 HA THR A 23 7.048 -9.734 -0.268 1.00 0.00 H new ATOM 0 HB THR A 23 8.875 -8.073 1.410 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.267 -8.208 -0.768 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.477 -9.853 0.770 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.938 -10.549 1.331 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.304 -10.485 -0.410 1.00 0.00 H new ATOM 375 N GLY A 24 6.397 -9.598 2.232 1.00 0.00 N ATOM 376 CA GLY A 24 5.594 -9.516 3.486 1.00 0.00 C ATOM 377 C GLY A 24 5.730 -8.124 4.104 1.00 0.00 C ATOM 378 O GLY A 24 4.906 -7.257 3.893 1.00 0.00 O ATOM 0 H GLY A 24 6.890 -10.480 2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.546 -9.727 3.271 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.932 -10.272 4.194 1.00 0.00 H new ATOM 382 N GLY A 25 6.759 -7.906 4.876 1.00 0.00 N ATOM 383 CA GLY A 25 6.940 -6.573 5.518 1.00 0.00 C ATOM 384 C GLY A 25 7.519 -5.579 4.510 1.00 0.00 C ATOM 385 O GLY A 25 7.246 -4.397 4.567 1.00 0.00 O ATOM 0 H GLY A 25 7.482 -8.593 5.090 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.984 -6.208 5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.605 -6.662 6.377 1.00 0.00 H new ATOM 389 N GLU A 26 8.319 -6.040 3.590 1.00 0.00 N ATOM 390 CA GLU A 26 8.909 -5.101 2.594 1.00 0.00 C ATOM 391 C GLU A 26 7.797 -4.404 1.813 1.00 0.00 C ATOM 392 O GLU A 26 7.973 -3.316 1.301 1.00 0.00 O ATOM 393 CB GLU A 26 9.757 -5.974 1.668 1.00 0.00 C ATOM 394 CG GLU A 26 10.928 -5.152 1.123 1.00 0.00 C ATOM 395 CD GLU A 26 11.608 -5.922 -0.010 1.00 0.00 C ATOM 396 OE1 GLU A 26 12.339 -6.852 0.287 1.00 0.00 O ATOM 397 OE2 GLU A 26 11.387 -5.569 -1.157 1.00 0.00 O ATOM 0 H GLU A 26 8.589 -7.018 3.484 1.00 0.00 H new ATOM 0 HA GLU A 26 9.506 -4.320 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.130 -6.843 2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.148 -6.349 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.572 -4.188 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.644 -4.947 1.919 1.00 0.00 H new ATOM 404 N ALA A 27 6.650 -5.014 1.726 1.00 0.00 N ATOM 405 CA ALA A 27 5.527 -4.375 0.990 1.00 0.00 C ATOM 406 C ALA A 27 4.972 -3.210 1.812 1.00 0.00 C ATOM 407 O ALA A 27 4.786 -2.117 1.316 1.00 0.00 O ATOM 408 CB ALA A 27 4.476 -5.475 0.836 1.00 0.00 C ATOM 0 H ALA A 27 6.442 -5.926 2.132 1.00 0.00 H new ATOM 0 HA ALA A 27 5.833 -3.973 0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.612 -5.081 0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.901 -6.308 0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.165 -5.821 1.822 1.00 0.00 H new ATOM 414 N ASN A 28 4.714 -3.438 3.069 1.00 0.00 N ATOM 415 CA ASN A 28 4.179 -2.347 3.933 1.00 0.00 C ATOM 416 C ASN A 28 5.246 -1.269 4.151 1.00 0.00 C ATOM 417 O ASN A 28 4.953 -0.096 4.230 1.00 0.00 O ATOM 418 CB ASN A 28 3.803 -3.027 5.253 1.00 0.00 C ATOM 419 CG ASN A 28 4.899 -2.793 6.293 1.00 0.00 C ATOM 420 OD1 ASN A 28 4.856 -1.830 7.033 1.00 0.00 O ATOM 421 ND2 ASN A 28 5.891 -3.635 6.374 1.00 0.00 N ATOM 0 H ASN A 28 4.850 -4.334 3.537 1.00 0.00 H new ATOM 0 HA ASN A 28 3.321 -1.847 3.483 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.854 -2.633 5.617 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.664 -4.096 5.094 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.632 -3.486 7.059 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.926 -4.443 5.752 1.00 0.00 H new ATOM 428 N LEU A 29 6.483 -1.663 4.263 1.00 0.00 N ATOM 429 CA LEU A 29 7.571 -0.672 4.499 1.00 0.00 C ATOM 430 C LEU A 29 7.613 0.373 3.380 1.00 0.00 C ATOM 431 O LEU A 29 7.961 1.515 3.606 1.00 0.00 O ATOM 432 CB LEU A 29 8.858 -1.495 4.529 1.00 0.00 C ATOM 433 CG LEU A 29 9.378 -1.576 5.968 1.00 0.00 C ATOM 434 CD1 LEU A 29 8.210 -1.816 6.931 1.00 0.00 C ATOM 435 CD2 LEU A 29 10.375 -2.731 6.084 1.00 0.00 C ATOM 0 H LEU A 29 6.790 -2.634 4.201 1.00 0.00 H new ATOM 0 HA LEU A 29 7.422 -0.117 5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.671 -2.496 4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.609 -1.039 3.884 1.00 0.00 H new ATOM 0 HG LEU A 29 9.870 -0.638 6.225 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.586 -1.873 7.952 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.498 -0.994 6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.714 -2.752 6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.746 -2.790 7.107 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.880 -3.666 5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.210 -2.560 5.405 1.00 0.00 H new ATOM 447 N LEU A 30 7.260 0.006 2.179 1.00 0.00 N ATOM 448 CA LEU A 30 7.289 1.007 1.073 1.00 0.00 C ATOM 449 C LEU A 30 6.438 2.209 1.462 1.00 0.00 C ATOM 450 O LEU A 30 6.641 3.308 0.986 1.00 0.00 O ATOM 451 CB LEU A 30 6.697 0.287 -0.144 1.00 0.00 C ATOM 452 CG LEU A 30 5.170 0.263 -0.040 1.00 0.00 C ATOM 453 CD1 LEU A 30 4.600 1.596 -0.529 1.00 0.00 C ATOM 454 CD2 LEU A 30 4.619 -0.871 -0.908 1.00 0.00 C ATOM 0 H LEU A 30 6.956 -0.932 1.916 1.00 0.00 H new ATOM 0 HA LEU A 30 8.294 1.373 0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.000 0.793 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.083 -0.731 -0.199 1.00 0.00 H new ATOM 0 HG LEU A 30 4.882 0.104 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.513 1.576 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.992 2.407 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.889 1.756 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.532 -0.890 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.910 -0.709 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.022 -1.823 -0.562 1.00 0.00 H new ATOM 466 N LEU A 31 5.500 2.020 2.347 1.00 0.00 N ATOM 467 CA LEU A 31 4.666 3.167 2.782 1.00 0.00 C ATOM 468 C LEU A 31 5.528 4.106 3.625 1.00 0.00 C ATOM 469 O LEU A 31 5.359 5.309 3.614 1.00 0.00 O ATOM 470 CB LEU A 31 3.541 2.557 3.622 1.00 0.00 C ATOM 471 CG LEU A 31 4.080 2.162 4.998 1.00 0.00 C ATOM 472 CD1 LEU A 31 4.071 3.380 5.923 1.00 0.00 C ATOM 473 CD2 LEU A 31 3.196 1.063 5.592 1.00 0.00 C ATOM 0 H LEU A 31 5.278 1.126 2.784 1.00 0.00 H new ATOM 0 HA LEU A 31 4.262 3.742 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.727 3.273 3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.130 1.683 3.117 1.00 0.00 H new ATOM 0 HG LEU A 31 5.101 1.795 4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.455 3.096 6.903 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.700 4.163 5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.051 3.750 6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.578 0.779 6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.175 1.432 5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.205 0.194 4.934 1.00 0.00 H new ATOM 485 N SER A 32 6.462 3.553 4.352 1.00 0.00 N ATOM 486 CA SER A 32 7.358 4.391 5.197 1.00 0.00 C ATOM 487 C SER A 32 8.304 5.204 4.313 1.00 0.00 C ATOM 488 O SER A 32 8.679 6.312 4.644 1.00 0.00 O ATOM 489 CB SER A 32 8.146 3.394 6.045 1.00 0.00 C ATOM 490 OG SER A 32 7.245 2.645 6.849 1.00 0.00 O ATOM 0 H SER A 32 6.643 2.550 4.396 1.00 0.00 H new ATOM 0 HA SER A 32 6.804 5.101 5.811 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.719 2.726 5.402 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.862 3.921 6.676 1.00 0.00 H new ATOM 0 HG SER A 32 7.436 1.689 6.750 1.00 0.00 H new ATOM 496 N ALA A 33 8.698 4.663 3.192 1.00 0.00 N ATOM 497 CA ALA A 33 9.626 5.408 2.295 1.00 0.00 C ATOM 498 C ALA A 33 8.846 6.425 1.461 1.00 0.00 C ATOM 499 O ALA A 33 9.399 7.387 0.967 1.00 0.00 O ATOM 500 CB ALA A 33 10.252 4.342 1.396 1.00 0.00 C ATOM 0 H ALA A 33 8.418 3.740 2.860 1.00 0.00 H new ATOM 0 HA ALA A 33 10.381 5.964 2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.950 4.814 0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.784 3.615 2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.469 3.836 0.832 1.00 0.00 H new ATOM 506 N GLU A 34 7.564 6.231 1.307 1.00 0.00 N ATOM 507 CA GLU A 34 6.766 7.208 0.512 1.00 0.00 C ATOM 508 C GLU A 34 5.620 7.791 1.363 1.00 0.00 C ATOM 509 O GLU A 34 5.770 8.859 1.923 1.00 0.00 O ATOM 510 CB GLU A 34 6.248 6.424 -0.695 1.00 0.00 C ATOM 511 CG GLU A 34 7.299 6.451 -1.807 1.00 0.00 C ATOM 512 CD GLU A 34 6.745 7.207 -3.016 1.00 0.00 C ATOM 513 OE1 GLU A 34 5.810 7.970 -2.835 1.00 0.00 O ATOM 514 OE2 GLU A 34 7.264 7.010 -4.102 1.00 0.00 O ATOM 0 H GLU A 34 7.039 5.446 1.693 1.00 0.00 H new ATOM 0 HA GLU A 34 7.359 8.064 0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.032 5.395 -0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.314 6.859 -1.051 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.209 6.933 -1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.567 5.434 -2.093 1.00 0.00 H new ATOM 521 N PRO A 35 4.513 7.089 1.449 1.00 0.00 N ATOM 522 CA PRO A 35 3.372 7.593 2.258 1.00 0.00 C ATOM 523 C PRO A 35 3.669 7.441 3.754 1.00 0.00 C ATOM 524 O PRO A 35 3.064 6.640 4.436 1.00 0.00 O ATOM 525 CB PRO A 35 2.212 6.691 1.850 1.00 0.00 C ATOM 526 CG PRO A 35 2.854 5.427 1.380 1.00 0.00 C ATOM 527 CD PRO A 35 4.206 5.795 0.825 1.00 0.00 C ATOM 0 HA PRO A 35 3.166 8.650 2.089 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.542 6.505 2.689 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.615 7.148 1.061 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.955 4.718 2.202 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.243 4.945 0.617 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.956 5.045 1.075 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.182 5.873 -0.262 1.00 0.00 H new ATOM 535 N ALA A 36 4.594 8.203 4.267 1.00 0.00 N ATOM 536 CA ALA A 36 4.924 8.097 5.720 1.00 0.00 C ATOM 537 C ALA A 36 3.667 8.303 6.569 1.00 0.00 C ATOM 538 O ALA A 36 2.827 9.126 6.262 1.00 0.00 O ATOM 539 CB ALA A 36 5.933 9.213 5.981 1.00 0.00 C ATOM 0 H ALA A 36 5.136 8.893 3.747 1.00 0.00 H new ATOM 0 HA ALA A 36 5.323 7.116 5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.225 9.201 7.031 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.814 9.060 5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.481 10.175 5.741 1.00 0.00 H new ATOM 545 N GLY A 37 3.532 7.562 7.635 1.00 0.00 N ATOM 546 CA GLY A 37 2.327 7.714 8.500 1.00 0.00 C ATOM 547 C GLY A 37 1.181 6.893 7.913 1.00 0.00 C ATOM 548 O GLY A 37 0.025 7.116 8.208 1.00 0.00 O ATOM 0 H GLY A 37 4.203 6.859 7.944 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.548 7.380 9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.042 8.764 8.566 1.00 0.00 H new ATOM 552 N THR A 38 1.500 5.946 7.075 1.00 0.00 N ATOM 553 CA THR A 38 0.441 5.099 6.448 1.00 0.00 C ATOM 554 C THR A 38 0.691 3.621 6.762 1.00 0.00 C ATOM 555 O THR A 38 1.815 3.193 6.908 1.00 0.00 O ATOM 556 CB THR A 38 0.561 5.360 4.947 1.00 0.00 C ATOM 557 OG1 THR A 38 0.770 6.748 4.724 1.00 0.00 O ATOM 558 CG2 THR A 38 -0.724 4.918 4.246 1.00 0.00 C ATOM 0 H THR A 38 2.454 5.719 6.795 1.00 0.00 H new ATOM 0 HA THR A 38 -0.555 5.337 6.822 1.00 0.00 H new ATOM 0 HB THR A 38 1.403 4.796 4.547 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.710 6.968 4.892 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.637 5.105 3.176 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.884 3.853 4.417 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.568 5.480 4.645 1.00 0.00 H new ATOM 566 N PHE A 39 -0.347 2.833 6.876 1.00 0.00 N ATOM 567 CA PHE A 39 -0.143 1.386 7.185 1.00 0.00 C ATOM 568 C PHE A 39 -0.775 0.522 6.088 1.00 0.00 C ATOM 569 O PHE A 39 -1.847 0.810 5.595 1.00 0.00 O ATOM 570 CB PHE A 39 -0.847 1.161 8.527 1.00 0.00 C ATOM 571 CG PHE A 39 -2.333 1.000 8.305 1.00 0.00 C ATOM 572 CD1 PHE A 39 -2.843 -0.214 7.828 1.00 0.00 C ATOM 573 CD2 PHE A 39 -3.201 2.063 8.579 1.00 0.00 C ATOM 574 CE1 PHE A 39 -4.219 -0.364 7.624 1.00 0.00 C ATOM 575 CE2 PHE A 39 -4.578 1.913 8.375 1.00 0.00 C ATOM 576 CZ PHE A 39 -5.087 0.700 7.897 1.00 0.00 C ATOM 0 H PHE A 39 -1.318 3.125 6.770 1.00 0.00 H new ATOM 0 HA PHE A 39 0.912 1.116 7.234 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.445 0.273 9.015 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.659 2.003 9.193 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.174 -1.035 7.617 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.809 2.999 8.948 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.612 -1.300 7.256 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.248 2.734 8.587 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.149 0.585 7.739 1.00 0.00 H new ATOM 586 N LEU A 40 -0.106 -0.529 5.694 1.00 0.00 N ATOM 587 CA LEU A 40 -0.651 -1.407 4.616 1.00 0.00 C ATOM 588 C LEU A 40 -0.338 -2.877 4.919 1.00 0.00 C ATOM 589 O LEU A 40 0.557 -3.185 5.677 1.00 0.00 O ATOM 590 CB LEU A 40 0.074 -0.948 3.351 1.00 0.00 C ATOM 591 CG LEU A 40 0.061 -2.064 2.309 1.00 0.00 C ATOM 592 CD1 LEU A 40 0.293 -1.461 0.925 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.179 -3.064 2.617 1.00 0.00 C ATOM 0 H LEU A 40 0.796 -0.818 6.073 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.734 -1.334 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.408 -0.057 2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.102 -0.674 3.590 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.902 -2.575 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.285 -2.254 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.498 -0.744 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.258 -0.954 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.170 -3.861 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.142 -2.553 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.023 -3.491 3.608 1.00 0.00 H new ATOM 605 N ILE A 41 -1.070 -3.787 4.331 1.00 0.00 N ATOM 606 CA ILE A 41 -0.811 -5.234 4.593 1.00 0.00 C ATOM 607 C ILE A 41 -0.379 -5.955 3.307 1.00 0.00 C ATOM 608 O ILE A 41 -0.784 -5.602 2.217 1.00 0.00 O ATOM 609 CB ILE A 41 -2.146 -5.787 5.099 1.00 0.00 C ATOM 610 CG1 ILE A 41 -1.886 -6.978 6.024 1.00 0.00 C ATOM 611 CG2 ILE A 41 -2.997 -6.246 3.914 1.00 0.00 C ATOM 612 CD1 ILE A 41 -2.956 -7.018 7.117 1.00 0.00 C ATOM 0 H ILE A 41 -1.833 -3.592 3.683 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.005 -5.380 5.312 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.675 -5.006 5.645 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.900 -7.906 5.452 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.896 -6.895 6.472 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.946 -6.639 4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.184 -5.401 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.468 -7.026 3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.771 -7.866 7.776 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.920 -6.095 7.695 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.940 -7.122 6.659 1.00 0.00 H new ATOM 624 N ARG A 42 0.436 -6.968 3.436 1.00 0.00 N ATOM 625 CA ARG A 42 0.898 -7.730 2.236 1.00 0.00 C ATOM 626 C ARG A 42 0.506 -9.206 2.381 1.00 0.00 C ATOM 627 O ARG A 42 0.373 -9.714 3.476 1.00 0.00 O ATOM 628 CB ARG A 42 2.421 -7.568 2.236 1.00 0.00 C ATOM 629 CG ARG A 42 3.079 -8.781 1.570 1.00 0.00 C ATOM 630 CD ARG A 42 2.793 -8.762 0.067 1.00 0.00 C ATOM 631 NE ARG A 42 2.886 -10.188 -0.356 1.00 0.00 N ATOM 632 CZ ARG A 42 3.110 -10.488 -1.607 1.00 0.00 C ATOM 633 NH1 ARG A 42 3.251 -9.541 -2.493 1.00 0.00 N ATOM 634 NH2 ARG A 42 3.194 -11.739 -1.970 1.00 0.00 N ATOM 0 H ARG A 42 0.804 -7.303 4.326 1.00 0.00 H new ATOM 0 HA ARG A 42 0.453 -7.371 1.308 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.698 -6.657 1.705 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.784 -7.464 3.259 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.155 -8.765 1.746 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.697 -9.702 2.011 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.806 -8.351 -0.143 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.516 -8.143 -0.465 1.00 0.00 H new ATOM 0 HE ARG A 42 2.774 -10.931 0.333 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.186 -8.563 -2.209 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.426 -9.778 -3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.085 -12.480 -1.277 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.369 -11.976 -2.947 1.00 0.00 H new ATOM 648 N ASP A 43 0.323 -9.897 1.289 1.00 0.00 N ATOM 649 CA ASP A 43 -0.058 -11.338 1.377 1.00 0.00 C ATOM 650 C ASP A 43 1.194 -12.219 1.389 1.00 0.00 C ATOM 651 O ASP A 43 1.827 -12.428 0.373 1.00 0.00 O ATOM 652 CB ASP A 43 -0.889 -11.608 0.123 1.00 0.00 C ATOM 653 CG ASP A 43 -1.907 -12.713 0.413 1.00 0.00 C ATOM 654 OD1 ASP A 43 -2.281 -12.860 1.565 1.00 0.00 O ATOM 655 OD2 ASP A 43 -2.294 -13.395 -0.522 1.00 0.00 O ATOM 0 H ASP A 43 0.420 -9.529 0.343 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.612 -11.561 2.289 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.403 -10.698 -0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.239 -11.905 -0.700 1.00 0.00 H new ATOM 660 N SER A 44 1.554 -12.739 2.529 1.00 0.00 N ATOM 661 CA SER A 44 2.764 -13.607 2.605 1.00 0.00 C ATOM 662 C SER A 44 2.663 -14.743 1.583 1.00 0.00 C ATOM 663 O SER A 44 1.622 -14.979 1.002 1.00 0.00 O ATOM 664 CB SER A 44 2.763 -14.164 4.027 1.00 0.00 C ATOM 665 OG SER A 44 4.037 -14.727 4.311 1.00 0.00 O ATOM 0 H SER A 44 1.063 -12.601 3.412 1.00 0.00 H new ATOM 0 HA SER A 44 3.680 -13.060 2.383 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.535 -13.372 4.740 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.986 -14.921 4.133 1.00 0.00 H new ATOM 0 HG SER A 44 4.041 -15.084 5.224 1.00 0.00 H new ATOM 735 N HIS A 49 -0.568 -19.780 4.048 1.00 0.00 N ATOM 736 CA HIS A 49 -1.457 -18.743 3.449 1.00 0.00 C ATOM 737 C HIS A 49 -1.844 -17.705 4.506 1.00 0.00 C ATOM 738 O HIS A 49 -2.797 -17.880 5.240 1.00 0.00 O ATOM 739 CB HIS A 49 -2.692 -19.511 2.976 1.00 0.00 C ATOM 740 CG HIS A 49 -3.098 -19.023 1.612 1.00 0.00 C ATOM 741 ND1 HIS A 49 -2.746 -17.768 1.140 1.00 0.00 N ATOM 742 CD2 HIS A 49 -3.830 -19.610 0.609 1.00 0.00 C ATOM 743 CE1 HIS A 49 -3.260 -17.643 -0.097 1.00 0.00 C ATOM 744 NE2 HIS A 49 -3.932 -18.736 -0.469 1.00 0.00 N ATOM 0 HA HIS A 49 -0.974 -18.203 2.635 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.478 -20.579 2.942 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.511 -19.372 3.682 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -4.261 -20.599 0.651 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.143 -16.765 -0.715 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -4.416 -18.896 -1.353 1.00 0.00 H new ATOM 752 N PHE A 50 -1.113 -16.628 4.592 1.00 0.00 N ATOM 753 CA PHE A 50 -1.443 -15.585 5.605 1.00 0.00 C ATOM 754 C PHE A 50 -0.898 -14.221 5.168 1.00 0.00 C ATOM 755 O PHE A 50 0.042 -14.134 4.403 1.00 0.00 O ATOM 756 CB PHE A 50 -0.755 -16.049 6.889 1.00 0.00 C ATOM 757 CG PHE A 50 -0.723 -14.911 7.879 1.00 0.00 C ATOM 758 CD1 PHE A 50 -1.919 -14.326 8.308 1.00 0.00 C ATOM 759 CD2 PHE A 50 0.501 -14.435 8.365 1.00 0.00 C ATOM 760 CE1 PHE A 50 -1.894 -13.269 9.223 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.528 -13.376 9.279 1.00 0.00 C ATOM 762 CZ PHE A 50 -0.671 -12.793 9.708 1.00 0.00 C ATOM 0 H PHE A 50 -0.303 -16.425 4.006 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.519 -15.467 5.736 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.288 -16.900 7.313 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.259 -16.384 6.671 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.863 -14.691 7.932 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.425 -14.886 8.034 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.818 -12.820 9.555 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.472 -13.009 9.653 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.652 -11.976 10.414 1.00 0.00 H new ATOM 772 N PHE A 51 -1.479 -13.157 5.654 1.00 0.00 N ATOM 773 CA PHE A 51 -0.991 -11.799 5.270 1.00 0.00 C ATOM 774 C PHE A 51 -0.443 -11.069 6.500 1.00 0.00 C ATOM 775 O PHE A 51 -0.861 -11.312 7.615 1.00 0.00 O ATOM 776 CB PHE A 51 -2.221 -11.077 4.719 1.00 0.00 C ATOM 777 CG PHE A 51 -3.211 -10.831 5.833 1.00 0.00 C ATOM 778 CD1 PHE A 51 -2.942 -9.863 6.810 1.00 0.00 C ATOM 779 CD2 PHE A 51 -4.400 -11.567 5.888 1.00 0.00 C ATOM 780 CE1 PHE A 51 -3.861 -9.633 7.839 1.00 0.00 C ATOM 781 CE2 PHE A 51 -5.321 -11.336 6.916 1.00 0.00 C ATOM 782 CZ PHE A 51 -5.050 -10.369 7.892 1.00 0.00 C ATOM 0 H PHE A 51 -2.269 -13.168 6.299 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.183 -11.840 4.539 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.926 -10.130 4.266 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.684 -11.675 3.934 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.025 -9.294 6.768 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.607 -12.314 5.136 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.653 -8.888 8.592 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.239 -11.903 6.957 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.760 -10.191 8.687 1.00 0.00 H new ATOM 792 N THR A 52 0.491 -10.178 6.308 1.00 0.00 N ATOM 793 CA THR A 52 1.065 -9.434 7.467 1.00 0.00 C ATOM 794 C THR A 52 0.978 -7.925 7.225 1.00 0.00 C ATOM 795 O THR A 52 1.063 -7.462 6.105 1.00 0.00 O ATOM 796 CB THR A 52 2.526 -9.882 7.541 1.00 0.00 C ATOM 797 OG1 THR A 52 2.628 -11.231 7.112 1.00 0.00 O ATOM 798 CG2 THR A 52 3.026 -9.763 8.982 1.00 0.00 C ATOM 0 H THR A 52 0.882 -9.932 5.399 1.00 0.00 H new ATOM 0 HA THR A 52 0.528 -9.637 8.394 1.00 0.00 H new ATOM 0 HB THR A 52 3.134 -9.248 6.895 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.061 -11.797 7.676 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.067 -10.082 9.034 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.948 -8.726 9.310 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.420 -10.395 9.631 1.00 0.00 H new ATOM 806 N LEU A 53 0.807 -7.154 8.265 1.00 0.00 N ATOM 807 CA LEU A 53 0.715 -5.676 8.083 1.00 0.00 C ATOM 808 C LEU A 53 1.646 -4.958 9.066 1.00 0.00 C ATOM 809 O LEU A 53 1.574 -5.148 10.263 1.00 0.00 O ATOM 810 CB LEU A 53 -0.756 -5.334 8.363 1.00 0.00 C ATOM 811 CG LEU A 53 -0.865 -3.984 9.080 1.00 0.00 C ATOM 812 CD1 LEU A 53 -0.055 -2.925 8.331 1.00 0.00 C ATOM 813 CD2 LEU A 53 -2.332 -3.552 9.125 1.00 0.00 C ATOM 0 H LEU A 53 0.727 -7.481 9.228 1.00 0.00 H new ATOM 0 HA LEU A 53 1.019 -5.360 7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.313 -5.301 7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.207 -6.115 8.975 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.474 -4.086 10.092 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.139 -1.969 8.848 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.992 -3.227 8.294 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.440 -2.823 7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.413 -2.592 9.635 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.715 -3.457 8.109 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.915 -4.299 9.664 1.00 0.00 H new ATOM 825 N SER A 54 2.515 -4.125 8.559 1.00 0.00 N ATOM 826 CA SER A 54 3.450 -3.379 9.447 1.00 0.00 C ATOM 827 C SER A 54 3.280 -1.874 9.223 1.00 0.00 C ATOM 828 O SER A 54 2.864 -1.436 8.168 1.00 0.00 O ATOM 829 CB SER A 54 4.851 -3.834 9.035 1.00 0.00 C ATOM 830 OG SER A 54 4.744 -4.896 8.095 1.00 0.00 O ATOM 0 H SER A 54 2.617 -3.929 7.563 1.00 0.00 H new ATOM 0 HA SER A 54 3.265 -3.572 10.504 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.402 -3.001 8.599 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.411 -4.163 9.910 1.00 0.00 H new ATOM 0 HG SER A 54 5.597 -5.375 8.044 1.00 0.00 H new ATOM 836 N VAL A 55 3.586 -1.078 10.208 1.00 0.00 N ATOM 837 CA VAL A 55 3.429 0.397 10.054 1.00 0.00 C ATOM 838 C VAL A 55 4.770 1.102 10.277 1.00 0.00 C ATOM 839 O VAL A 55 5.754 0.485 10.636 1.00 0.00 O ATOM 840 CB VAL A 55 2.427 0.802 11.135 1.00 0.00 C ATOM 841 CG1 VAL A 55 1.183 -0.083 11.036 1.00 0.00 C ATOM 842 CG2 VAL A 55 3.067 0.627 12.514 1.00 0.00 C ATOM 0 H VAL A 55 3.939 -1.384 11.115 1.00 0.00 H new ATOM 0 HA VAL A 55 3.089 0.672 9.056 1.00 0.00 H new ATOM 0 HB VAL A 55 2.143 1.845 10.994 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.469 0.206 11.807 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.726 0.040 10.054 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.466 -1.126 11.177 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.353 0.916 13.286 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.351 -0.416 12.654 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.954 1.257 12.586 1.00 0.00 H new ATOM 852 N LYS A 56 4.817 2.388 10.069 1.00 0.00 N ATOM 853 CA LYS A 56 6.096 3.130 10.271 1.00 0.00 C ATOM 854 C LYS A 56 6.052 3.905 11.589 1.00 0.00 C ATOM 855 O LYS A 56 5.144 4.672 11.839 1.00 0.00 O ATOM 856 CB LYS A 56 6.189 4.094 9.088 1.00 0.00 C ATOM 857 CG LYS A 56 7.613 4.643 8.990 1.00 0.00 C ATOM 858 CD LYS A 56 7.588 6.014 8.309 1.00 0.00 C ATOM 859 CE LYS A 56 8.796 6.835 8.767 1.00 0.00 C ATOM 860 NZ LYS A 56 8.722 6.830 10.255 1.00 0.00 N ATOM 0 H LYS A 56 4.027 2.958 9.768 1.00 0.00 H new ATOM 0 HA LYS A 56 6.956 2.463 10.321 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.921 3.581 8.165 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.480 4.912 9.215 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.050 4.728 9.985 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.241 3.955 8.423 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.606 5.894 7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.664 6.538 8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.729 6.394 8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.756 7.850 8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.059 7.743 10.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.737 6.679 10.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.318 6.065 10.630 1.00 0.00 H new ATOM 874 N THR A 57 7.027 3.710 12.433 1.00 0.00 N ATOM 875 CA THR A 57 7.041 4.434 13.736 1.00 0.00 C ATOM 876 C THR A 57 8.394 5.118 13.947 1.00 0.00 C ATOM 877 O THR A 57 9.337 4.888 13.218 1.00 0.00 O ATOM 878 CB THR A 57 6.817 3.350 14.791 1.00 0.00 C ATOM 879 OG1 THR A 57 7.994 2.564 14.917 1.00 0.00 O ATOM 880 CG2 THR A 57 5.647 2.459 14.371 1.00 0.00 C ATOM 0 H THR A 57 7.815 3.081 12.277 1.00 0.00 H new ATOM 0 HA THR A 57 6.281 5.214 13.784 1.00 0.00 H new ATOM 0 HB THR A 57 6.588 3.817 15.749 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.993 1.862 14.233 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.489 1.687 15.124 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.745 3.064 14.276 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.872 1.990 13.413 1.00 0.00 H new ATOM 888 N GLN A 58 8.496 5.957 14.942 1.00 0.00 N ATOM 889 CA GLN A 58 9.790 6.654 15.200 1.00 0.00 C ATOM 890 C GLN A 58 10.858 5.642 15.621 1.00 0.00 C ATOM 891 O GLN A 58 12.038 5.850 15.417 1.00 0.00 O ATOM 892 CB GLN A 58 9.494 7.629 16.340 1.00 0.00 C ATOM 893 CG GLN A 58 8.834 8.889 15.778 1.00 0.00 C ATOM 894 CD GLN A 58 8.525 9.859 16.920 1.00 0.00 C ATOM 895 OE1 GLN A 58 9.418 10.477 17.465 1.00 0.00 O ATOM 896 NE2 GLN A 58 7.290 10.019 17.308 1.00 0.00 N ATOM 0 H GLN A 58 7.741 6.190 15.587 1.00 0.00 H new ATOM 0 HA GLN A 58 10.169 7.166 14.315 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.839 7.159 17.073 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.417 7.890 16.858 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.494 9.364 15.052 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.916 8.627 15.251 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.540 9.500 16.850 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.074 10.663 18.069 1.00 0.00 H new ATOM 905 N SER A 59 10.454 4.548 16.206 1.00 0.00 N ATOM 906 CA SER A 59 11.447 3.523 16.639 1.00 0.00 C ATOM 907 C SER A 59 11.758 2.568 15.483 1.00 0.00 C ATOM 908 O SER A 59 12.834 2.009 15.400 1.00 0.00 O ATOM 909 CB SER A 59 10.767 2.774 17.785 1.00 0.00 C ATOM 910 OG SER A 59 11.427 1.532 17.989 1.00 0.00 O ATOM 0 H SER A 59 9.480 4.319 16.403 1.00 0.00 H new ATOM 0 HA SER A 59 12.393 3.968 16.947 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.801 3.371 18.696 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.715 2.607 17.552 1.00 0.00 H new ATOM 0 HG SER A 59 11.609 1.412 18.944 1.00 0.00 H new ATOM 916 N GLY A 60 10.824 2.377 14.592 1.00 0.00 N ATOM 917 CA GLY A 60 11.067 1.458 13.443 1.00 0.00 C ATOM 918 C GLY A 60 9.758 0.774 13.048 1.00 0.00 C ATOM 919 O GLY A 60 8.844 0.658 13.840 1.00 0.00 O ATOM 0 H GLY A 60 9.904 2.817 14.609 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.468 2.016 12.596 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.813 0.710 13.714 1.00 0.00 H new ATOM 923 N THR A 61 9.661 0.318 11.829 1.00 0.00 N ATOM 924 CA THR A 61 8.409 -0.360 11.383 1.00 0.00 C ATOM 925 C THR A 61 8.392 -1.810 11.873 1.00 0.00 C ATOM 926 O THR A 61 9.390 -2.502 11.828 1.00 0.00 O ATOM 927 CB THR A 61 8.454 -0.311 9.855 1.00 0.00 C ATOM 928 OG1 THR A 61 9.398 -1.260 9.380 1.00 0.00 O ATOM 929 CG2 THR A 61 8.863 1.091 9.399 1.00 0.00 C ATOM 0 H THR A 61 10.394 0.385 11.122 1.00 0.00 H new ATOM 0 HA THR A 61 7.515 0.121 11.779 1.00 0.00 H new ATOM 0 HB THR A 61 7.468 -0.547 9.455 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.589 -1.913 10.085 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.895 1.125 8.310 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.138 1.818 9.764 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.849 1.330 9.798 1.00 0.00 H new ATOM 937 N LYS A 62 7.267 -2.275 12.341 1.00 0.00 N ATOM 938 CA LYS A 62 7.188 -3.681 12.834 1.00 0.00 C ATOM 939 C LYS A 62 5.895 -4.341 12.349 1.00 0.00 C ATOM 940 O LYS A 62 4.948 -3.676 11.976 1.00 0.00 O ATOM 941 CB LYS A 62 7.192 -3.567 14.358 1.00 0.00 C ATOM 942 CG LYS A 62 8.549 -3.034 14.828 1.00 0.00 C ATOM 943 CD LYS A 62 9.487 -4.207 15.115 1.00 0.00 C ATOM 944 CE LYS A 62 10.863 -3.672 15.520 1.00 0.00 C ATOM 945 NZ LYS A 62 11.244 -2.731 14.430 1.00 0.00 N ATOM 0 H LYS A 62 6.399 -1.743 12.404 1.00 0.00 H new ATOM 0 HA LYS A 62 8.013 -4.293 12.468 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.394 -2.900 14.685 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.997 -4.541 14.806 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.982 -2.387 14.065 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.423 -2.428 15.725 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.077 -4.828 15.912 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.576 -4.840 14.232 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.822 -3.164 16.484 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.588 -4.480 15.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.280 -2.690 14.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.843 -3.062 13.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.875 -1.783 14.645 1.00 0.00 H new ATOM 959 N ASN A 63 5.848 -5.645 12.351 1.00 0.00 N ATOM 960 CA ASN A 63 4.616 -6.350 11.892 1.00 0.00 C ATOM 961 C ASN A 63 4.312 -7.529 12.818 1.00 0.00 C ATOM 962 O ASN A 63 5.192 -8.072 13.454 1.00 0.00 O ATOM 963 CB ASN A 63 4.946 -6.847 10.484 1.00 0.00 C ATOM 964 CG ASN A 63 6.075 -7.875 10.556 1.00 0.00 C ATOM 965 OD1 ASN A 63 5.833 -9.065 10.530 1.00 0.00 O ATOM 966 ND2 ASN A 63 7.310 -7.463 10.647 1.00 0.00 N ATOM 0 H ASN A 63 6.610 -6.254 12.651 1.00 0.00 H new ATOM 0 HA ASN A 63 3.740 -5.702 11.900 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.062 -7.294 10.028 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.242 -6.010 9.852 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.071 -8.140 10.696 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.514 -6.464 10.669 1.00 0.00 H new ATOM 973 N LEU A 64 3.074 -7.932 12.898 1.00 0.00 N ATOM 974 CA LEU A 64 2.720 -9.078 13.784 1.00 0.00 C ATOM 975 C LEU A 64 1.733 -10.006 13.071 1.00 0.00 C ATOM 976 O LEU A 64 0.930 -9.576 12.269 1.00 0.00 O ATOM 977 CB LEU A 64 2.075 -8.442 15.014 1.00 0.00 C ATOM 978 CG LEU A 64 3.161 -8.100 16.036 1.00 0.00 C ATOM 979 CD1 LEU A 64 2.656 -7.005 16.977 1.00 0.00 C ATOM 980 CD2 LEU A 64 3.505 -9.350 16.850 1.00 0.00 C ATOM 0 H LEU A 64 2.293 -7.518 12.389 1.00 0.00 H new ATOM 0 HA LEU A 64 3.587 -9.683 14.050 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.532 -7.541 14.729 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.349 -9.127 15.453 1.00 0.00 H new ATOM 0 HG LEU A 64 4.050 -7.746 15.514 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.432 -6.764 17.704 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.410 -6.114 16.399 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.766 -7.356 17.499 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.279 -9.108 17.579 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.614 -9.702 17.370 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.868 -10.131 16.182 1.00 0.00 H new ATOM 992 N ARG A 65 1.791 -11.279 13.355 1.00 0.00 N ATOM 993 CA ARG A 65 0.857 -12.231 12.687 1.00 0.00 C ATOM 994 C ARG A 65 -0.334 -12.537 13.598 1.00 0.00 C ATOM 995 O ARG A 65 -0.235 -12.476 14.807 1.00 0.00 O ATOM 996 CB ARG A 65 1.685 -13.493 12.447 1.00 0.00 C ATOM 997 CG ARG A 65 2.935 -13.138 11.640 1.00 0.00 C ATOM 998 CD ARG A 65 3.411 -14.370 10.867 1.00 0.00 C ATOM 999 NE ARG A 65 4.835 -14.545 11.265 1.00 0.00 N ATOM 1000 CZ ARG A 65 5.602 -15.371 10.606 1.00 0.00 C ATOM 1001 NH1 ARG A 65 5.122 -16.043 9.595 1.00 0.00 N ATOM 1002 NH2 ARG A 65 6.850 -15.523 10.957 1.00 0.00 N ATOM 0 H ARG A 65 2.442 -11.700 14.018 1.00 0.00 H new ATOM 0 HA ARG A 65 0.450 -11.826 11.761 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.969 -13.941 13.399 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.091 -14.234 11.911 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.715 -12.324 10.949 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.723 -12.787 12.306 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.819 -15.249 11.121 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.317 -14.222 9.791 1.00 0.00 H new ATOM 0 HE ARG A 65 5.212 -14.019 12.053 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.147 -15.923 9.319 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.722 -16.688 9.081 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.226 -14.997 11.746 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.450 -16.168 10.442 1.00 0.00 H new ATOM 1016 N ILE A 66 -1.461 -12.865 13.026 1.00 0.00 N ATOM 1017 CA ILE A 66 -2.657 -13.173 13.860 1.00 0.00 C ATOM 1018 C ILE A 66 -2.571 -14.595 14.418 1.00 0.00 C ATOM 1019 O ILE A 66 -2.165 -15.517 13.739 1.00 0.00 O ATOM 1020 CB ILE A 66 -3.849 -13.042 12.912 1.00 0.00 C ATOM 1021 CG1 ILE A 66 -5.143 -13.288 13.690 1.00 0.00 C ATOM 1022 CG2 ILE A 66 -3.727 -14.075 11.790 1.00 0.00 C ATOM 1023 CD1 ILE A 66 -6.114 -12.133 13.447 1.00 0.00 C ATOM 0 H ILE A 66 -1.605 -12.933 12.018 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.740 -12.504 14.716 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.864 -12.040 12.482 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.595 -14.229 13.376 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.928 -13.378 14.755 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.577 -13.981 11.115 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.804 -13.904 11.237 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.713 -15.077 12.218 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.035 -12.309 14.002 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.661 -11.200 13.783 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.339 -12.064 12.383 1.00 0.00 H new ATOM 1035 N GLN A 67 -2.956 -14.779 15.652 1.00 0.00 N ATOM 1036 CA GLN A 67 -2.903 -16.141 16.257 1.00 0.00 C ATOM 1037 C GLN A 67 -4.275 -16.813 16.153 1.00 0.00 C ATOM 1038 O GLN A 67 -5.298 -16.157 16.141 1.00 0.00 O ATOM 1039 CB GLN A 67 -2.530 -15.910 17.721 1.00 0.00 C ATOM 1040 CG GLN A 67 -1.056 -15.511 17.816 1.00 0.00 C ATOM 1041 CD GLN A 67 -0.630 -15.475 19.286 1.00 0.00 C ATOM 1042 OE1 GLN A 67 0.513 -15.731 19.605 1.00 0.00 O ATOM 1043 NE2 GLN A 67 -1.510 -15.167 20.199 1.00 0.00 N ATOM 0 H GLN A 67 -3.305 -14.045 16.268 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.188 -16.792 15.753 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.158 -15.128 18.148 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.711 -16.815 18.300 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.440 -16.222 17.265 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.903 -14.534 17.358 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.470 -14.952 19.930 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.238 -15.141 21.182 1.00 0.00 H new ATOM 1052 N CYS A 68 -4.307 -18.115 16.076 1.00 0.00 N ATOM 1053 CA CYS A 68 -5.617 -18.820 15.973 1.00 0.00 C ATOM 1054 C CYS A 68 -6.041 -19.359 17.342 1.00 0.00 C ATOM 1055 O CYS A 68 -5.245 -19.905 18.079 1.00 0.00 O ATOM 1056 CB CYS A 68 -5.372 -19.973 14.997 1.00 0.00 C ATOM 1057 SG CYS A 68 -4.332 -21.225 15.788 1.00 0.00 S ATOM 0 H CYS A 68 -3.486 -18.720 16.080 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.414 -18.158 15.633 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.321 -20.413 14.693 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.889 -19.602 14.093 1.00 0.00 H new ATOM 0 HG CYS A 68 -4.358 -21.059 17.077 1.00 0.00 H new ATOM 1063 N GLU A 69 -7.292 -19.210 17.687 1.00 0.00 N ATOM 1064 CA GLU A 69 -7.765 -19.716 19.007 1.00 0.00 C ATOM 1065 C GLU A 69 -9.036 -20.551 18.826 1.00 0.00 C ATOM 1066 O GLU A 69 -10.115 -20.023 18.641 1.00 0.00 O ATOM 1067 CB GLU A 69 -8.058 -18.461 19.829 1.00 0.00 C ATOM 1068 CG GLU A 69 -7.067 -18.368 20.991 1.00 0.00 C ATOM 1069 CD GLU A 69 -7.196 -17.001 21.665 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -8.207 -16.772 22.307 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -6.281 -16.206 21.526 1.00 0.00 O ATOM 0 H GLU A 69 -8.005 -18.761 17.113 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.030 -20.358 19.493 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.980 -17.575 19.199 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.079 -18.493 20.210 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.262 -19.161 21.713 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.050 -18.511 20.627 1.00 0.00 H new ATOM 1078 N GLY A 70 -8.916 -21.849 18.879 1.00 0.00 N ATOM 1079 CA GLY A 70 -10.117 -22.716 18.711 1.00 0.00 C ATOM 1080 C GLY A 70 -10.975 -22.186 17.561 1.00 0.00 C ATOM 1081 O GLY A 70 -10.738 -22.486 16.407 1.00 0.00 O ATOM 0 H GLY A 70 -8.039 -22.347 19.031 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.812 -23.742 18.507 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.698 -22.733 19.633 1.00 0.00 H new ATOM 1085 N GLY A 71 -11.971 -21.399 17.864 1.00 0.00 N ATOM 1086 CA GLY A 71 -12.843 -20.850 16.789 1.00 0.00 C ATOM 1087 C GLY A 71 -12.792 -19.322 16.820 1.00 0.00 C ATOM 1088 O GLY A 71 -13.758 -18.653 16.513 1.00 0.00 O ATOM 0 H GLY A 71 -12.218 -21.113 18.811 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -12.513 -21.216 15.817 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.868 -21.193 16.927 1.00 0.00 H new ATOM 1092 N SER A 72 -11.671 -18.765 17.188 1.00 0.00 N ATOM 1093 CA SER A 72 -11.557 -17.280 17.238 1.00 0.00 C ATOM 1094 C SER A 72 -10.193 -16.834 16.705 1.00 0.00 C ATOM 1095 O SER A 72 -9.214 -17.548 16.799 1.00 0.00 O ATOM 1096 CB SER A 72 -11.699 -16.922 18.715 1.00 0.00 C ATOM 1097 OG SER A 72 -10.941 -17.839 19.495 1.00 0.00 O ATOM 0 H SER A 72 -10.829 -19.274 17.456 1.00 0.00 H new ATOM 0 HA SER A 72 -12.312 -16.788 16.625 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.351 -15.904 18.889 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.748 -16.956 19.010 1.00 0.00 H new ATOM 0 HG SER A 72 -10.413 -18.414 18.903 1.00 0.00 H new ATOM 1103 N PHE A 73 -10.122 -15.660 16.143 1.00 0.00 N ATOM 1104 CA PHE A 73 -8.818 -15.168 15.599 1.00 0.00 C ATOM 1105 C PHE A 73 -8.458 -13.814 16.227 1.00 0.00 C ATOM 1106 O PHE A 73 -9.318 -13.001 16.499 1.00 0.00 O ATOM 1107 CB PHE A 73 -9.061 -15.015 14.096 1.00 0.00 C ATOM 1108 CG PHE A 73 -7.881 -15.550 13.319 1.00 0.00 C ATOM 1109 CD1 PHE A 73 -7.229 -16.714 13.740 1.00 0.00 C ATOM 1110 CD2 PHE A 73 -7.443 -14.881 12.170 1.00 0.00 C ATOM 1111 CE1 PHE A 73 -6.139 -17.207 13.013 1.00 0.00 C ATOM 1112 CE2 PHE A 73 -6.356 -15.372 11.443 1.00 0.00 C ATOM 1113 CZ PHE A 73 -5.702 -16.536 11.863 1.00 0.00 C ATOM 0 H PHE A 73 -10.907 -15.018 16.035 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.992 -15.845 15.816 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.967 -15.550 13.810 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.221 -13.965 13.851 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.566 -17.232 14.626 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.947 -13.983 11.845 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.635 -18.105 13.339 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.020 -14.854 10.557 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.862 -16.917 11.301 1.00 0.00 H new ATOM 1123 N SER A 74 -7.194 -13.565 16.459 1.00 0.00 N ATOM 1124 CA SER A 74 -6.792 -12.261 17.070 1.00 0.00 C ATOM 1125 C SER A 74 -5.344 -11.915 16.702 1.00 0.00 C ATOM 1126 O SER A 74 -4.485 -12.772 16.655 1.00 0.00 O ATOM 1127 CB SER A 74 -6.925 -12.474 18.577 1.00 0.00 C ATOM 1128 OG SER A 74 -6.063 -11.569 19.255 1.00 0.00 O ATOM 0 H SER A 74 -6.426 -14.204 16.253 1.00 0.00 H new ATOM 0 HA SER A 74 -7.410 -11.436 16.715 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.957 -12.315 18.889 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.669 -13.502 18.835 1.00 0.00 H new ATOM 0 HG SER A 74 -6.146 -11.701 20.223 1.00 0.00 H new ATOM 1134 N LEU A 75 -5.069 -10.663 16.443 1.00 0.00 N ATOM 1135 CA LEU A 75 -3.676 -10.261 16.079 1.00 0.00 C ATOM 1136 C LEU A 75 -2.789 -10.214 17.327 1.00 0.00 C ATOM 1137 O LEU A 75 -1.621 -9.884 17.257 1.00 0.00 O ATOM 1138 CB LEU A 75 -3.809 -8.867 15.463 1.00 0.00 C ATOM 1139 CG LEU A 75 -2.422 -8.233 15.321 1.00 0.00 C ATOM 1140 CD1 LEU A 75 -1.500 -9.183 14.554 1.00 0.00 C ATOM 1141 CD2 LEU A 75 -2.539 -6.913 14.553 1.00 0.00 C ATOM 0 H LEU A 75 -5.747 -9.902 16.468 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.214 -10.968 15.390 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.291 -8.934 14.488 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.444 -8.241 16.090 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.009 -8.045 16.312 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.513 -8.731 14.454 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.414 -10.124 15.097 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.915 -9.372 13.564 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.552 -6.462 14.452 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.954 -7.103 13.563 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.195 -6.233 15.096 1.00 0.00 H new ATOM 1384 N VAL A 91 -9.512 -12.846 11.108 1.00 0.00 N ATOM 1385 CA VAL A 91 -8.540 -11.735 10.885 1.00 0.00 C ATOM 1386 C VAL A 91 -9.178 -10.375 11.184 1.00 0.00 C ATOM 1387 O VAL A 91 -8.494 -9.406 11.450 1.00 0.00 O ATOM 1388 CB VAL A 91 -8.113 -11.860 9.420 1.00 0.00 C ATOM 1389 CG1 VAL A 91 -8.051 -10.479 8.767 1.00 0.00 C ATOM 1390 CG2 VAL A 91 -6.726 -12.504 9.366 1.00 0.00 C ATOM 0 HA VAL A 91 -7.681 -11.803 11.552 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.838 -12.472 8.883 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.746 -10.582 7.726 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.034 -10.011 8.813 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.328 -9.858 9.297 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.409 -12.599 8.327 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.014 -11.881 9.907 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.765 -13.492 9.825 1.00 0.00 H new ATOM 1400 N LEU A 92 -10.473 -10.284 11.133 1.00 0.00 N ATOM 1401 CA LEU A 92 -11.132 -8.975 11.407 1.00 0.00 C ATOM 1402 C LEU A 92 -10.674 -8.430 12.763 1.00 0.00 C ATOM 1403 O LEU A 92 -10.500 -7.240 12.935 1.00 0.00 O ATOM 1404 CB LEU A 92 -12.621 -9.309 11.456 1.00 0.00 C ATOM 1405 CG LEU A 92 -13.462 -8.120 10.978 1.00 0.00 C ATOM 1406 CD1 LEU A 92 -12.719 -6.807 11.229 1.00 0.00 C ATOM 1407 CD2 LEU A 92 -13.742 -8.277 9.485 1.00 0.00 C ATOM 0 H LEU A 92 -11.105 -11.054 10.915 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.893 -8.219 10.659 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -12.824 -10.178 10.831 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -12.905 -9.575 12.474 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.401 -8.098 11.531 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -13.329 -5.972 10.884 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.524 -6.698 12.296 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.774 -6.814 10.686 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -14.340 -7.435 9.136 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.799 -8.303 8.939 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.287 -9.205 9.313 1.00 0.00 H new ATOM 1419 N LYS A 93 -10.460 -9.286 13.724 1.00 0.00 N ATOM 1420 CA LYS A 93 -9.996 -8.797 15.054 1.00 0.00 C ATOM 1421 C LYS A 93 -8.632 -8.124 14.901 1.00 0.00 C ATOM 1422 O LYS A 93 -8.336 -7.139 15.549 1.00 0.00 O ATOM 1423 CB LYS A 93 -9.882 -10.045 15.927 1.00 0.00 C ATOM 1424 CG LYS A 93 -10.564 -9.787 17.272 1.00 0.00 C ATOM 1425 CD LYS A 93 -10.004 -8.505 17.892 1.00 0.00 C ATOM 1426 CE LYS A 93 -11.149 -7.526 18.167 1.00 0.00 C ATOM 1427 NZ LYS A 93 -10.482 -6.261 18.579 1.00 0.00 N ATOM 0 H LYS A 93 -10.585 -10.295 13.648 1.00 0.00 H new ATOM 0 HA LYS A 93 -10.676 -8.066 15.490 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -10.347 -10.895 15.428 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.834 -10.300 16.081 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.641 -9.696 17.134 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.399 -10.630 17.943 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.479 -8.736 18.819 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.277 -8.051 17.219 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -11.763 -7.377 17.279 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.808 -7.899 18.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -11.021 -5.450 18.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -10.442 -6.212 19.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -9.516 -6.237 18.194 1.00 0.00 H new ATOM 1441 N LEU A 94 -7.804 -8.645 14.039 1.00 0.00 N ATOM 1442 CA LEU A 94 -6.462 -8.036 13.829 1.00 0.00 C ATOM 1443 C LEU A 94 -6.623 -6.590 13.358 1.00 0.00 C ATOM 1444 O LEU A 94 -5.852 -5.719 13.715 1.00 0.00 O ATOM 1445 CB LEU A 94 -5.806 -8.899 12.747 1.00 0.00 C ATOM 1446 CG LEU A 94 -4.665 -8.127 12.082 1.00 0.00 C ATOM 1447 CD1 LEU A 94 -3.360 -8.909 12.243 1.00 0.00 C ATOM 1448 CD2 LEU A 94 -4.974 -7.955 10.594 1.00 0.00 C ATOM 0 H LEU A 94 -8.000 -9.468 13.470 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.860 -8.008 14.737 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.425 -9.820 13.187 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.546 -9.185 12.000 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.562 -7.148 12.551 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.546 -8.360 11.770 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.142 -9.039 13.303 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.461 -9.886 11.771 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.164 -7.405 10.115 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.073 -8.935 10.127 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.906 -7.402 10.477 1.00 0.00 H new ATOM 1460 N VAL A 95 -7.625 -6.323 12.565 1.00 0.00 N ATOM 1461 CA VAL A 95 -7.841 -4.930 12.080 1.00 0.00 C ATOM 1462 C VAL A 95 -7.961 -3.979 13.273 1.00 0.00 C ATOM 1463 O VAL A 95 -7.473 -2.867 13.245 1.00 0.00 O ATOM 1464 CB VAL A 95 -9.153 -4.982 11.299 1.00 0.00 C ATOM 1465 CG1 VAL A 95 -9.572 -3.564 10.905 1.00 0.00 C ATOM 1466 CG2 VAL A 95 -8.961 -5.824 10.035 1.00 0.00 C ATOM 0 H VAL A 95 -8.303 -7.009 12.232 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.018 -4.569 11.463 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.927 -5.430 11.922 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -10.508 -3.603 10.348 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.709 -2.962 11.803 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.798 -3.116 10.283 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -9.897 -5.862 9.477 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.186 -5.376 9.413 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.664 -6.835 10.313 1.00 0.00 H new ATOM 1476 N HIS A 96 -8.604 -4.411 14.323 1.00 0.00 N ATOM 1477 CA HIS A 96 -8.751 -3.535 15.520 1.00 0.00 C ATOM 1478 C HIS A 96 -7.375 -3.060 15.989 1.00 0.00 C ATOM 1479 O HIS A 96 -7.168 -1.893 16.258 1.00 0.00 O ATOM 1480 CB HIS A 96 -9.407 -4.418 16.582 1.00 0.00 C ATOM 1481 CG HIS A 96 -9.346 -3.726 17.916 1.00 0.00 C ATOM 1482 ND1 HIS A 96 -9.808 -2.433 18.099 1.00 0.00 N ATOM 1483 CD2 HIS A 96 -8.881 -4.135 19.141 1.00 0.00 C ATOM 1484 CE1 HIS A 96 -9.611 -2.110 19.390 1.00 0.00 C ATOM 1485 NE2 HIS A 96 -9.048 -3.113 20.071 1.00 0.00 N ATOM 0 H HIS A 96 -9.034 -5.332 14.404 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.344 -2.644 15.313 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.444 -4.621 16.312 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -8.898 -5.380 16.636 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.451 -5.103 19.351 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -9.875 -1.157 19.823 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -8.795 -3.127 21.059 1.00 0.00 H new ATOM 1493 N HIS A 97 -6.429 -3.954 16.082 1.00 0.00 N ATOM 1494 CA HIS A 97 -5.066 -3.549 16.525 1.00 0.00 C ATOM 1495 C HIS A 97 -4.382 -2.745 15.417 1.00 0.00 C ATOM 1496 O HIS A 97 -3.755 -1.735 15.665 1.00 0.00 O ATOM 1497 CB HIS A 97 -4.322 -4.862 16.775 1.00 0.00 C ATOM 1498 CG HIS A 97 -3.603 -4.788 18.095 1.00 0.00 C ATOM 1499 ND1 HIS A 97 -4.269 -4.536 19.285 1.00 0.00 N ATOM 1500 CD2 HIS A 97 -2.279 -4.931 18.431 1.00 0.00 C ATOM 1501 CE1 HIS A 97 -3.352 -4.535 20.270 1.00 0.00 C ATOM 1502 NE2 HIS A 97 -2.123 -4.771 19.805 1.00 0.00 N ATOM 0 H HIS A 97 -6.541 -4.946 15.871 1.00 0.00 H new ATOM 0 HA HIS A 97 -5.085 -2.921 17.416 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.024 -5.696 16.778 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -3.610 -5.048 15.971 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.480 -5.137 17.734 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.583 -4.364 21.311 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -1.257 -4.823 20.341 1.00 0.00 H new ATOM 1510 N TYR A 98 -4.507 -3.183 14.194 1.00 0.00 N ATOM 1511 CA TYR A 98 -3.872 -2.441 13.067 1.00 0.00 C ATOM 1512 C TYR A 98 -4.587 -1.105 12.852 1.00 0.00 C ATOM 1513 O TYR A 98 -4.038 -0.179 12.288 1.00 0.00 O ATOM 1514 CB TYR A 98 -4.055 -3.341 11.844 1.00 0.00 C ATOM 1515 CG TYR A 98 -2.926 -4.347 11.760 1.00 0.00 C ATOM 1516 CD1 TYR A 98 -1.657 -4.031 12.260 1.00 0.00 C ATOM 1517 CD2 TYR A 98 -3.154 -5.597 11.173 1.00 0.00 C ATOM 1518 CE1 TYR A 98 -0.617 -4.965 12.173 1.00 0.00 C ATOM 1519 CE2 TYR A 98 -2.115 -6.532 11.085 1.00 0.00 C ATOM 1520 CZ TYR A 98 -0.846 -6.216 11.586 1.00 0.00 C ATOM 1521 OH TYR A 98 0.179 -7.136 11.500 1.00 0.00 O ATOM 0 H TYR A 98 -5.021 -4.022 13.926 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.822 -2.220 13.258 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -5.011 -3.861 11.906 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -4.080 -2.735 10.938 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.480 -3.067 12.713 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -4.133 -5.841 10.787 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.362 -4.721 12.559 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -2.292 -7.496 10.631 1.00 0.00 H new ATOM 0 HH TYR A 98 0.950 -6.727 11.054 1.00 0.00 H new ATOM 1531 N MET A 99 -5.809 -0.999 13.295 1.00 0.00 N ATOM 1532 CA MET A 99 -6.560 0.277 13.115 1.00 0.00 C ATOM 1533 C MET A 99 -7.811 0.284 13.999 1.00 0.00 C ATOM 1534 O MET A 99 -8.197 -0.734 14.538 1.00 0.00 O ATOM 1535 CB MET A 99 -6.949 0.300 11.636 1.00 0.00 C ATOM 1536 CG MET A 99 -6.373 1.554 10.977 1.00 0.00 C ATOM 1537 SD MET A 99 -7.562 2.204 9.776 1.00 0.00 S ATOM 1538 CE MET A 99 -8.070 0.614 9.076 1.00 0.00 C ATOM 0 H MET A 99 -6.321 -1.740 13.774 1.00 0.00 H new ATOM 0 HA MET A 99 -5.968 1.148 13.396 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.572 -0.592 11.136 1.00 0.00 H new ATOM 0 HB3 MET A 99 -8.034 0.288 11.534 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.155 2.308 11.733 1.00 0.00 H new ATOM 0 HG3 MET A 99 -5.431 1.318 10.481 1.00 0.00 H new ATOM 0 HE1 MET A 99 -8.305 0.740 8.019 1.00 0.00 H new ATOM 0 HE2 MET A 99 -7.259 -0.107 9.184 1.00 0.00 H new ATOM 0 HE3 MET A 99 -8.952 0.250 9.603 1.00 0.00 H new ATOM 2022 N ARG A 134 -7.600 1.851 22.118 1.00 0.00 N ATOM 2023 CA ARG A 134 -6.723 1.058 21.209 1.00 0.00 C ATOM 2024 C ARG A 134 -5.322 1.672 21.165 1.00 0.00 C ATOM 2025 O ARG A 134 -5.067 2.702 21.756 1.00 0.00 O ATOM 2026 CB ARG A 134 -7.392 1.144 19.836 1.00 0.00 C ATOM 2027 CG ARG A 134 -7.539 2.612 19.428 1.00 0.00 C ATOM 2028 CD ARG A 134 -6.340 3.029 18.573 1.00 0.00 C ATOM 2029 NE ARG A 134 -6.489 4.500 18.396 1.00 0.00 N ATOM 2030 CZ ARG A 134 -5.481 5.213 17.969 1.00 0.00 C ATOM 2031 NH1 ARG A 134 -4.342 4.639 17.696 1.00 0.00 N ATOM 2032 NH2 ARG A 134 -5.615 6.503 17.816 1.00 0.00 N ATOM 0 HA ARG A 134 -6.608 0.026 21.540 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -6.797 0.608 19.096 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.370 0.665 19.866 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -8.464 2.754 18.869 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -7.603 3.242 20.315 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -5.399 2.784 19.066 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -6.341 2.513 17.613 1.00 0.00 H new ATOM 0 HE ARG A 134 -7.379 4.951 18.608 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -4.237 3.632 17.816 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -3.556 5.198 17.363 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -6.505 6.952 18.030 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -4.829 7.061 17.483 1.00 0.00 H new ATOM 2046 N ALA A 135 -4.410 1.049 20.470 1.00 0.00 N ATOM 2047 CA ALA A 135 -3.027 1.601 20.393 1.00 0.00 C ATOM 2048 C ALA A 135 -2.083 0.586 19.754 1.00 0.00 C ATOM 2049 O ALA A 135 -2.020 -0.554 20.164 1.00 0.00 O ATOM 2050 CB ALA A 135 -2.612 1.851 21.849 1.00 0.00 C ATOM 0 H ALA A 135 -4.562 0.183 19.953 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.987 2.507 19.789 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -1.602 2.259 21.874 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -3.301 2.560 22.307 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -2.638 0.912 22.401 1.00 0.00 H new ATOM 2056 N TYR A 136 -1.325 0.985 18.770 1.00 0.00 N ATOM 2057 CA TYR A 136 -0.373 0.021 18.162 1.00 0.00 C ATOM 2058 C TYR A 136 1.051 0.519 18.406 1.00 0.00 C ATOM 2059 O TYR A 136 1.409 1.611 18.017 1.00 0.00 O ATOM 2060 CB TYR A 136 -0.699 0.019 16.667 1.00 0.00 C ATOM 2061 CG TYR A 136 -0.466 -1.362 16.103 1.00 0.00 C ATOM 2062 CD1 TYR A 136 -1.368 -2.393 16.387 1.00 0.00 C ATOM 2063 CD2 TYR A 136 0.656 -1.613 15.303 1.00 0.00 C ATOM 2064 CE1 TYR A 136 -1.149 -3.676 15.870 1.00 0.00 C ATOM 2065 CE2 TYR A 136 0.875 -2.896 14.787 1.00 0.00 C ATOM 2066 CZ TYR A 136 -0.029 -3.927 15.070 1.00 0.00 C ATOM 2067 OH TYR A 136 0.188 -5.193 14.567 1.00 0.00 O ATOM 0 H TYR A 136 -1.324 1.922 18.367 1.00 0.00 H new ATOM 0 HA TYR A 136 -0.453 -0.982 18.582 1.00 0.00 H new ATOM 0 HB2 TYR A 136 -1.735 0.318 16.509 1.00 0.00 H new ATOM 0 HB3 TYR A 136 -0.075 0.746 16.147 1.00 0.00 H new ATOM 0 HD1 TYR A 136 -2.233 -2.200 17.005 1.00 0.00 H new ATOM 0 HD2 TYR A 136 1.352 -0.817 15.084 1.00 0.00 H new ATOM 0 HE1 TYR A 136 -1.845 -4.472 16.089 1.00 0.00 H new ATOM 0 HE2 TYR A 136 1.741 -3.090 14.171 1.00 0.00 H new ATOM 0 HH TYR A 136 -0.307 -5.301 13.728 1.00 0.00 H new ATOM 2077 N TYR A 137 1.869 -0.262 19.048 1.00 0.00 N ATOM 2078 CA TYR A 137 3.257 0.198 19.312 1.00 0.00 C ATOM 2079 C TYR A 137 4.197 -0.985 19.539 1.00 0.00 C ATOM 2080 O TYR A 137 3.770 -2.111 19.688 1.00 0.00 O ATOM 2081 CB TYR A 137 3.143 1.113 20.524 1.00 0.00 C ATOM 2082 CG TYR A 137 3.207 0.350 21.816 1.00 0.00 C ATOM 2083 CD1 TYR A 137 4.440 -0.031 22.352 1.00 0.00 C ATOM 2084 CD2 TYR A 137 2.024 0.066 22.498 1.00 0.00 C ATOM 2085 CE1 TYR A 137 4.486 -0.703 23.578 1.00 0.00 C ATOM 2086 CE2 TYR A 137 2.063 -0.609 23.717 1.00 0.00 C ATOM 2087 CZ TYR A 137 3.295 -0.996 24.262 1.00 0.00 C ATOM 2088 OH TYR A 137 3.338 -1.659 25.471 1.00 0.00 O ATOM 0 H TYR A 137 1.640 -1.192 19.399 1.00 0.00 H new ATOM 0 HA TYR A 137 3.691 0.731 18.466 1.00 0.00 H new ATOM 0 HB2 TYR A 137 3.946 1.850 20.498 1.00 0.00 H new ATOM 0 HB3 TYR A 137 2.204 1.664 20.475 1.00 0.00 H new ATOM 0 HD1 TYR A 137 5.354 0.193 21.822 1.00 0.00 H new ATOM 0 HD2 TYR A 137 1.075 0.370 22.081 1.00 0.00 H new ATOM 0 HE1 TYR A 137 5.437 -0.996 23.998 1.00 0.00 H new ATOM 0 HE2 TYR A 137 1.145 -0.833 24.241 1.00 0.00 H new ATOM 0 HH TYR A 137 3.740 -2.544 25.345 1.00 0.00 H new ATOM 2098 N ILE A 138 5.476 -0.740 19.542 1.00 0.00 N ATOM 2099 CA ILE A 138 6.448 -1.856 19.731 1.00 0.00 C ATOM 2100 C ILE A 138 7.336 -1.607 20.951 1.00 0.00 C ATOM 2101 O ILE A 138 7.623 -0.481 21.304 1.00 0.00 O ATOM 2102 CB ILE A 138 7.287 -1.867 18.454 1.00 0.00 C ATOM 2103 CG1 ILE A 138 6.404 -2.261 17.268 1.00 0.00 C ATOM 2104 CG2 ILE A 138 8.424 -2.880 18.600 1.00 0.00 C ATOM 2105 CD1 ILE A 138 6.138 -1.031 16.399 1.00 0.00 C ATOM 0 H ILE A 138 5.892 0.183 19.422 1.00 0.00 H new ATOM 0 HA ILE A 138 5.945 -2.807 19.904 1.00 0.00 H new ATOM 0 HB ILE A 138 7.704 -0.874 18.284 1.00 0.00 H new ATOM 0 HG12 ILE A 138 6.893 -3.037 16.679 1.00 0.00 H new ATOM 0 HG13 ILE A 138 5.462 -2.678 17.625 1.00 0.00 H new ATOM 0 HG21 ILE A 138 9.023 -2.888 17.689 1.00 0.00 H new ATOM 0 HG22 ILE A 138 9.053 -2.602 19.446 1.00 0.00 H new ATOM 0 HG23 ILE A 138 8.007 -3.873 18.769 1.00 0.00 H new ATOM 0 HD11 ILE A 138 5.509 -1.312 15.554 1.00 0.00 H new ATOM 0 HD12 ILE A 138 5.631 -0.270 16.992 1.00 0.00 H new ATOM 0 HD13 ILE A 138 7.084 -0.634 16.031 1.00 0.00 H new ATOM 2117 N TYR A 139 7.768 -2.655 21.596 1.00 0.00 N ATOM 2118 CA TYR A 139 8.637 -2.483 22.796 1.00 0.00 C ATOM 2119 C TYR A 139 10.098 -2.330 22.370 1.00 0.00 C ATOM 2120 O TYR A 139 10.720 -3.261 21.898 1.00 0.00 O ATOM 2121 CB TYR A 139 8.446 -3.760 23.621 1.00 0.00 C ATOM 2122 CG TYR A 139 6.991 -4.168 23.597 1.00 0.00 C ATOM 2123 CD1 TYR A 139 6.005 -3.216 23.316 1.00 0.00 C ATOM 2124 CD2 TYR A 139 6.631 -5.496 23.847 1.00 0.00 C ATOM 2125 CE1 TYR A 139 4.658 -3.591 23.282 1.00 0.00 C ATOM 2126 CE2 TYR A 139 5.282 -5.873 23.816 1.00 0.00 C ATOM 2127 CZ TYR A 139 4.296 -4.920 23.533 1.00 0.00 C ATOM 2128 OH TYR A 139 2.967 -5.292 23.500 1.00 0.00 O ATOM 0 H TYR A 139 7.558 -3.621 21.346 1.00 0.00 H new ATOM 0 HA TYR A 139 8.377 -1.592 23.368 1.00 0.00 H new ATOM 0 HB2 TYR A 139 9.065 -4.561 23.218 1.00 0.00 H new ATOM 0 HB3 TYR A 139 8.770 -3.593 24.648 1.00 0.00 H new ATOM 0 HD1 TYR A 139 6.284 -2.190 23.125 1.00 0.00 H new ATOM 0 HD2 TYR A 139 7.392 -6.231 24.064 1.00 0.00 H new ATOM 0 HE1 TYR A 139 3.898 -2.856 23.062 1.00 0.00 H new ATOM 0 HE2 TYR A 139 5.003 -6.898 24.010 1.00 0.00 H new ATOM 0 HH TYR A 139 2.867 -6.101 22.956 1.00 0.00 H new ATOM 2138 N SER A 140 10.649 -1.159 22.532 1.00 0.00 N ATOM 2139 CA SER A 140 12.070 -0.937 22.136 1.00 0.00 C ATOM 2140 C SER A 140 13.011 -1.757 23.027 1.00 0.00 C ATOM 2141 O SER A 140 13.905 -1.227 23.654 1.00 0.00 O ATOM 2142 CB SER A 140 12.308 0.558 22.342 1.00 0.00 C ATOM 2143 OG SER A 140 11.839 1.269 21.204 1.00 0.00 O ATOM 0 H SER A 140 10.176 -0.344 22.922 1.00 0.00 H new ATOM 0 HA SER A 140 12.262 -1.246 21.108 1.00 0.00 H new ATOM 0 HB2 SER A 140 11.790 0.900 23.238 1.00 0.00 H new ATOM 0 HB3 SER A 140 13.370 0.751 22.494 1.00 0.00 H new ATOM 0 HG SER A 140 12.074 2.216 21.290 1.00 0.00 H new ATOM 2149 N GLY A 141 12.819 -3.047 23.080 1.00 0.00 N ATOM 2150 CA GLY A 141 13.705 -3.901 23.921 1.00 0.00 C ATOM 2151 C GLY A 141 13.509 -3.562 25.401 1.00 0.00 C ATOM 2152 O GLY A 141 14.268 -2.811 25.982 1.00 0.00 O ATOM 0 H GLY A 141 12.086 -3.547 22.577 1.00 0.00 H new ATOM 0 HA2 GLY A 141 13.480 -4.953 23.748 1.00 0.00 H new ATOM 0 HA3 GLY A 141 14.747 -3.747 23.639 1.00 0.00 H new ATOM 2156 N GLY A 142 12.504 -4.121 26.020 1.00 0.00 N ATOM 2157 CA GLY A 142 12.269 -3.842 27.466 1.00 0.00 C ATOM 2158 C GLY A 142 11.534 -2.510 27.633 1.00 0.00 C ATOM 2159 O GLY A 142 11.076 -2.178 28.708 1.00 0.00 O ATOM 0 H GLY A 142 11.836 -4.759 25.587 1.00 0.00 H new ATOM 0 HA2 GLY A 142 11.683 -4.647 27.909 1.00 0.00 H new ATOM 0 HA3 GLY A 142 13.220 -3.810 27.997 1.00 0.00 H new ATOM 2163 N GLU A 143 11.414 -1.743 26.585 1.00 0.00 N ATOM 2164 CA GLU A 143 10.706 -0.436 26.702 1.00 0.00 C ATOM 2165 C GLU A 143 9.499 -0.403 25.762 1.00 0.00 C ATOM 2166 O GLU A 143 9.630 -0.558 24.565 1.00 0.00 O ATOM 2167 CB GLU A 143 11.737 0.616 26.290 1.00 0.00 C ATOM 2168 CG GLU A 143 11.356 1.968 26.896 1.00 0.00 C ATOM 2169 CD GLU A 143 12.475 2.978 26.639 1.00 0.00 C ATOM 2170 OE1 GLU A 143 12.558 3.468 25.525 1.00 0.00 O ATOM 2171 OE2 GLU A 143 13.229 3.245 27.559 1.00 0.00 O ATOM 0 H GLU A 143 11.774 -1.963 25.656 1.00 0.00 H new ATOM 0 HA GLU A 143 10.329 -0.261 27.710 1.00 0.00 H new ATOM 0 HB2 GLU A 143 12.730 0.320 26.629 1.00 0.00 H new ATOM 0 HB3 GLU A 143 11.781 0.692 25.204 1.00 0.00 H new ATOM 0 HG2 GLU A 143 10.423 2.324 26.459 1.00 0.00 H new ATOM 0 HG3 GLU A 143 11.186 1.863 27.968 1.00 0.00 H new ATOM 2178 N LYS A 144 8.326 -0.200 26.293 1.00 0.00 N ATOM 2179 CA LYS A 144 7.115 -0.159 25.427 1.00 0.00 C ATOM 2180 C LYS A 144 6.851 1.269 24.943 1.00 0.00 C ATOM 2181 O LYS A 144 6.379 2.111 25.681 1.00 0.00 O ATOM 2182 CB LYS A 144 5.975 -0.638 26.327 1.00 0.00 C ATOM 2183 CG LYS A 144 5.967 0.178 27.621 1.00 0.00 C ATOM 2184 CD LYS A 144 4.551 0.692 27.892 1.00 0.00 C ATOM 2185 CE LYS A 144 3.671 -0.465 28.371 1.00 0.00 C ATOM 2186 NZ LYS A 144 2.466 0.187 28.956 1.00 0.00 N ATOM 0 H LYS A 144 8.153 -0.061 27.289 1.00 0.00 H new ATOM 0 HA LYS A 144 7.224 -0.777 24.536 1.00 0.00 H new ATOM 0 HB2 LYS A 144 5.021 -0.530 25.811 1.00 0.00 H new ATOM 0 HB3 LYS A 144 6.097 -1.697 26.554 1.00 0.00 H new ATOM 0 HG2 LYS A 144 6.307 -0.438 28.454 1.00 0.00 H new ATOM 0 HG3 LYS A 144 6.660 1.015 27.540 1.00 0.00 H new ATOM 0 HD2 LYS A 144 4.576 1.480 28.645 1.00 0.00 H new ATOM 0 HD3 LYS A 144 4.132 1.131 26.986 1.00 0.00 H new ATOM 0 HE2 LYS A 144 3.402 -1.125 27.546 1.00 0.00 H new ATOM 0 HE3 LYS A 144 4.189 -1.075 29.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 1.813 -0.542 29.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 2.752 0.804 29.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 1.990 0.755 28.227 1.00 0.00 H new ATOM 2200 N ILE A 145 7.136 1.537 23.701 1.00 0.00 N ATOM 2201 CA ILE A 145 6.887 2.898 23.150 1.00 0.00 C ATOM 2202 C ILE A 145 5.569 2.883 22.379 1.00 0.00 C ATOM 2203 O ILE A 145 5.481 2.276 21.332 1.00 0.00 O ATOM 2204 CB ILE A 145 8.064 3.165 22.212 1.00 0.00 C ATOM 2205 CG1 ILE A 145 9.211 3.800 23.000 1.00 0.00 C ATOM 2206 CG2 ILE A 145 7.627 4.111 21.094 1.00 0.00 C ATOM 2207 CD1 ILE A 145 10.147 2.703 23.507 1.00 0.00 C ATOM 0 H ILE A 145 7.533 0.869 23.040 1.00 0.00 H new ATOM 0 HA ILE A 145 6.811 3.667 23.919 1.00 0.00 H new ATOM 0 HB ILE A 145 8.399 2.224 21.777 1.00 0.00 H new ATOM 0 HG12 ILE A 145 9.759 4.497 22.367 1.00 0.00 H new ATOM 0 HG13 ILE A 145 8.817 4.373 23.839 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.468 4.299 20.427 1.00 0.00 H new ATOM 0 HG22 ILE A 145 6.812 3.657 20.531 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.288 5.053 21.526 1.00 0.00 H new ATOM 0 HD11 ILE A 145 10.965 3.154 24.069 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.593 2.023 24.155 1.00 0.00 H new ATOM 0 HD13 ILE A 145 10.551 2.149 22.660 1.00 0.00 H new ATOM 2219 N PRO A 146 4.579 3.526 22.935 1.00 0.00 N ATOM 2220 CA PRO A 146 3.241 3.550 22.296 1.00 0.00 C ATOM 2221 C PRO A 146 3.218 4.439 21.051 1.00 0.00 C ATOM 2222 O PRO A 146 3.615 5.586 21.070 1.00 0.00 O ATOM 2223 CB PRO A 146 2.335 4.115 23.387 1.00 0.00 C ATOM 2224 CG PRO A 146 3.244 4.913 24.271 1.00 0.00 C ATOM 2225 CD PRO A 146 4.609 4.278 24.193 1.00 0.00 C ATOM 0 HA PRO A 146 2.932 2.565 21.946 1.00 0.00 H new ATOM 0 HB2 PRO A 146 1.549 4.739 22.963 1.00 0.00 H new ATOM 0 HB3 PRO A 146 1.843 3.317 23.944 1.00 0.00 H new ATOM 0 HG2 PRO A 146 3.284 5.952 23.945 1.00 0.00 H new ATOM 0 HG3 PRO A 146 2.878 4.915 25.298 1.00 0.00 H new ATOM 0 HD2 PRO A 146 5.399 5.029 24.190 1.00 0.00 H new ATOM 0 HD3 PRO A 146 4.794 3.624 25.045 1.00 0.00 H new ATOM 2233 N LEU A 147 2.730 3.895 19.971 1.00 0.00 N ATOM 2234 CA LEU A 147 2.632 4.653 18.696 1.00 0.00 C ATOM 2235 C LEU A 147 1.190 4.594 18.193 1.00 0.00 C ATOM 2236 O LEU A 147 0.567 3.554 18.216 1.00 0.00 O ATOM 2237 CB LEU A 147 3.575 3.935 17.736 1.00 0.00 C ATOM 2238 CG LEU A 147 4.942 3.777 18.401 1.00 0.00 C ATOM 2239 CD1 LEU A 147 5.428 2.337 18.236 1.00 0.00 C ATOM 2240 CD2 LEU A 147 5.935 4.737 17.747 1.00 0.00 C ATOM 0 H LEU A 147 2.388 2.935 19.920 1.00 0.00 H new ATOM 0 HA LEU A 147 2.900 5.705 18.800 1.00 0.00 H new ATOM 0 HB2 LEU A 147 3.170 2.958 17.472 1.00 0.00 H new ATOM 0 HB3 LEU A 147 3.671 4.501 16.810 1.00 0.00 H new ATOM 0 HG LEU A 147 4.862 4.007 19.463 1.00 0.00 H new ATOM 0 HD11 LEU A 147 6.403 2.225 18.711 1.00 0.00 H new ATOM 0 HD12 LEU A 147 4.716 1.657 18.704 1.00 0.00 H new ATOM 0 HD13 LEU A 147 5.512 2.101 17.175 1.00 0.00 H new ATOM 0 HD21 LEU A 147 6.912 4.627 18.219 1.00 0.00 H new ATOM 0 HD22 LEU A 147 6.017 4.507 16.685 1.00 0.00 H new ATOM 0 HD23 LEU A 147 5.585 5.762 17.871 1.00 0.00 H new ATOM 2252 N VAL A 148 0.639 5.679 17.744 1.00 0.00 N ATOM 2253 CA VAL A 148 -0.767 5.610 17.259 1.00 0.00 C ATOM 2254 C VAL A 148 -0.791 5.477 15.736 1.00 0.00 C ATOM 2255 O VAL A 148 -0.351 6.354 15.019 1.00 0.00 O ATOM 2256 CB VAL A 148 -1.398 6.933 17.693 1.00 0.00 C ATOM 2257 CG1 VAL A 148 -1.285 7.080 19.212 1.00 0.00 C ATOM 2258 CG2 VAL A 148 -0.666 8.092 17.014 1.00 0.00 C ATOM 0 H VAL A 148 1.086 6.594 17.690 1.00 0.00 H new ATOM 0 HA VAL A 148 -1.304 4.751 17.661 1.00 0.00 H new ATOM 0 HB VAL A 148 -2.449 6.946 17.405 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -1.735 8.024 19.521 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -1.805 6.254 19.697 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -0.234 7.067 19.502 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -1.115 9.036 17.322 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.385 8.078 17.303 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.746 7.989 15.932 1.00 0.00 H new ATOM 2268 N LEU A 149 -1.310 4.386 15.233 1.00 0.00 N ATOM 2269 CA LEU A 149 -1.365 4.206 13.753 1.00 0.00 C ATOM 2270 C LEU A 149 -2.823 4.111 13.289 1.00 0.00 C ATOM 2271 O LEU A 149 -3.640 3.461 13.910 1.00 0.00 O ATOM 2272 CB LEU A 149 -0.611 2.897 13.482 1.00 0.00 C ATOM 2273 CG LEU A 149 -1.593 1.722 13.449 1.00 0.00 C ATOM 2274 CD1 LEU A 149 -2.272 1.663 12.080 1.00 0.00 C ATOM 2275 CD2 LEU A 149 -0.832 0.418 13.693 1.00 0.00 C ATOM 0 H LEU A 149 -1.696 3.617 15.780 1.00 0.00 H new ATOM 0 HA LEU A 149 -0.920 5.042 13.213 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -0.080 2.964 12.533 1.00 0.00 H new ATOM 0 HB3 LEU A 149 0.139 2.733 14.256 1.00 0.00 H new ATOM 0 HG LEU A 149 -2.347 1.857 14.224 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -2.971 0.827 12.056 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -2.812 2.593 11.901 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -1.517 1.527 11.305 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -1.529 -0.420 13.670 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -0.079 0.285 12.916 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -0.345 0.458 14.667 1.00 0.00 H new ATOM 2287 N SER A 150 -3.156 4.752 12.201 1.00 0.00 N ATOM 2288 CA SER A 150 -4.561 4.695 11.706 1.00 0.00 C ATOM 2289 C SER A 150 -4.690 5.436 10.371 1.00 0.00 C ATOM 2290 O SER A 150 -5.644 6.150 10.137 1.00 0.00 O ATOM 2291 CB SER A 150 -5.390 5.389 12.786 1.00 0.00 C ATOM 2292 OG SER A 150 -4.582 6.351 13.452 1.00 0.00 O ATOM 0 H SER A 150 -2.518 5.311 11.635 1.00 0.00 H new ATOM 0 HA SER A 150 -4.892 3.672 11.530 1.00 0.00 H new ATOM 0 HB2 SER A 150 -6.258 5.873 12.339 1.00 0.00 H new ATOM 0 HB3 SER A 150 -5.766 4.656 13.500 1.00 0.00 H new ATOM 0 HG SER A 150 -5.111 6.799 14.145 1.00 0.00 H new ATOM 2298 N ARG A 151 -3.739 5.270 9.492 1.00 0.00 N ATOM 2299 CA ARG A 151 -3.813 5.963 8.173 1.00 0.00 C ATOM 2300 C ARG A 151 -4.036 4.941 7.055 1.00 0.00 C ATOM 2301 O ARG A 151 -3.286 3.996 6.920 1.00 0.00 O ATOM 2302 CB ARG A 151 -2.460 6.651 8.012 1.00 0.00 C ATOM 2303 CG ARG A 151 -2.627 8.159 8.210 1.00 0.00 C ATOM 2304 CD ARG A 151 -3.214 8.429 9.597 1.00 0.00 C ATOM 2305 NE ARG A 151 -4.254 9.472 9.379 1.00 0.00 N ATOM 2306 CZ ARG A 151 -5.187 9.661 10.273 1.00 0.00 C ATOM 2307 NH1 ARG A 151 -5.211 8.937 11.359 1.00 0.00 N ATOM 2308 NH2 ARG A 151 -6.098 10.576 10.081 1.00 0.00 N ATOM 0 H ARG A 151 -2.915 4.685 9.630 1.00 0.00 H new ATOM 0 HA ARG A 151 -4.638 6.674 8.122 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -1.750 6.255 8.738 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -2.052 6.447 7.022 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -1.664 8.659 8.107 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -3.282 8.567 7.440 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -3.646 7.525 10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -2.447 8.775 10.290 1.00 0.00 H new ATOM 0 HE ARG A 151 -4.238 10.039 8.531 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -4.500 8.222 11.511 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -5.941 9.087 12.056 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -6.081 11.143 9.233 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -6.827 10.724 10.779 1.00 0.00 H new ATOM 2322 N PRO A 152 -5.073 5.162 6.295 1.00 0.00 N ATOM 2323 CA PRO A 152 -5.412 4.243 5.181 1.00 0.00 C ATOM 2324 C PRO A 152 -4.430 4.405 4.015 1.00 0.00 C ATOM 2325 O PRO A 152 -3.933 5.481 3.751 1.00 0.00 O ATOM 2326 CB PRO A 152 -6.814 4.680 4.769 1.00 0.00 C ATOM 2327 CG PRO A 152 -6.917 6.109 5.200 1.00 0.00 C ATOM 2328 CD PRO A 152 -6.020 6.277 6.399 1.00 0.00 C ATOM 0 HA PRO A 152 -5.360 3.194 5.471 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -6.958 4.581 3.693 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -7.576 4.067 5.250 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -6.612 6.777 4.394 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -7.947 6.362 5.451 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -5.507 7.239 6.382 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -6.586 6.234 7.330 1.00 0.00 H new ATOM 2336 N LEU A 153 -4.160 3.338 3.313 1.00 0.00 N ATOM 2337 CA LEU A 153 -3.220 3.414 2.157 1.00 0.00 C ATOM 2338 C LEU A 153 -3.996 3.746 0.879 1.00 0.00 C ATOM 2339 O LEU A 153 -4.977 3.108 0.555 1.00 0.00 O ATOM 2340 CB LEU A 153 -2.601 2.018 2.064 1.00 0.00 C ATOM 2341 CG LEU A 153 -1.283 2.088 1.291 1.00 0.00 C ATOM 2342 CD1 LEU A 153 -1.486 2.874 -0.004 1.00 0.00 C ATOM 2343 CD2 LEU A 153 -0.224 2.784 2.148 1.00 0.00 C ATOM 0 H LEU A 153 -4.551 2.413 3.491 1.00 0.00 H new ATOM 0 HA LEU A 153 -2.462 4.187 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 153 -2.427 1.620 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 153 -3.290 1.337 1.565 1.00 0.00 H new ATOM 0 HG LEU A 153 -0.952 1.077 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 153 -0.545 2.922 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 153 -2.238 2.377 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 153 -1.820 3.884 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 153 0.715 2.834 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 153 -0.557 3.793 2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 153 -0.074 2.221 3.070 1.00 0.00 H new ATOM 2355 N SER A 154 -3.567 4.741 0.152 1.00 0.00 N ATOM 2356 CA SER A 154 -4.285 5.112 -1.101 1.00 0.00 C ATOM 2357 C SER A 154 -4.019 4.072 -2.195 1.00 0.00 C ATOM 2358 O SER A 154 -3.096 4.201 -2.974 1.00 0.00 O ATOM 2359 CB SER A 154 -3.710 6.470 -1.501 1.00 0.00 C ATOM 2360 OG SER A 154 -3.935 7.402 -0.452 1.00 0.00 O ATOM 0 H SER A 154 -2.751 5.313 0.371 1.00 0.00 H new ATOM 0 HA SER A 154 -5.365 5.152 -0.959 1.00 0.00 H new ATOM 0 HB2 SER A 154 -2.642 6.381 -1.701 1.00 0.00 H new ATOM 0 HB3 SER A 154 -4.179 6.820 -2.421 1.00 0.00 H new ATOM 0 HG SER A 154 -3.566 8.274 -0.704 1.00 0.00 H new ATOM 2510 N SER B 165 7.736 -8.292 17.209 1.00 0.00 N ATOM 2511 CA SER B 165 7.583 -8.927 18.550 1.00 0.00 C ATOM 2512 C SER B 165 6.115 -8.902 18.988 1.00 0.00 C ATOM 2513 O SER B 165 5.506 -9.930 19.208 1.00 0.00 O ATOM 2514 CB SER B 165 8.437 -8.076 19.489 1.00 0.00 C ATOM 2515 OG SER B 165 9.789 -8.108 19.052 1.00 0.00 O ATOM 0 HA SER B 165 7.893 -9.972 18.549 1.00 0.00 H new ATOM 0 HB2 SER B 165 8.071 -7.049 19.502 1.00 0.00 H new ATOM 0 HB3 SER B 165 8.363 -8.454 20.509 1.00 0.00 H new ATOM 0 HG SER B 165 9.817 -8.071 18.073 1.00 0.00 H new ATOM 2521 N THR B 166 5.542 -7.735 19.119 1.00 0.00 N ATOM 2522 CA THR B 166 4.115 -7.649 19.545 1.00 0.00 C ATOM 2523 C THR B 166 3.697 -6.183 19.701 1.00 0.00 C ATOM 2524 O THR B 166 4.519 -5.314 19.921 1.00 0.00 O ATOM 2525 CB THR B 166 4.059 -8.369 20.894 1.00 0.00 C ATOM 2526 OG1 THR B 166 2.864 -8.009 21.571 1.00 0.00 O ATOM 2527 CG2 THR B 166 5.268 -7.969 21.741 1.00 0.00 C ATOM 0 H THR B 166 6.000 -6.839 18.950 1.00 0.00 H new ATOM 0 HA THR B 166 3.439 -8.096 18.816 1.00 0.00 H new ATOM 0 HB THR B 166 4.075 -9.447 20.731 1.00 0.00 H new ATOM 0 HG1 THR B 166 2.826 -8.470 22.435 1.00 0.00 H new ATOM 0 HG21 THR B 166 5.226 -8.483 22.701 1.00 0.00 H new ATOM 0 HG22 THR B 166 6.185 -8.247 21.221 1.00 0.00 H new ATOM 0 HG23 THR B 166 5.257 -6.892 21.906 1.00 0.00 H new ATOM 2535 N VAL B 167 2.426 -5.901 19.590 1.00 0.00 N ATOM 2536 CA VAL B 167 1.963 -4.490 19.733 1.00 0.00 C ATOM 2537 C VAL B 167 1.002 -4.364 20.919 1.00 0.00 C ATOM 2538 O VAL B 167 0.083 -5.145 21.073 1.00 0.00 O ATOM 2539 CB VAL B 167 1.245 -4.170 18.420 1.00 0.00 C ATOM 2540 CG1 VAL B 167 0.347 -2.946 18.606 1.00 0.00 C ATOM 2541 CG2 VAL B 167 2.279 -3.870 17.333 1.00 0.00 C ATOM 0 H VAL B 167 1.691 -6.584 19.407 1.00 0.00 H new ATOM 0 HA VAL B 167 2.788 -3.803 19.921 1.00 0.00 H new ATOM 0 HB VAL B 167 0.638 -5.027 18.127 1.00 0.00 H new ATOM 0 HG11 VAL B 167 -0.162 -2.722 17.668 1.00 0.00 H new ATOM 0 HG12 VAL B 167 -0.392 -3.151 19.380 1.00 0.00 H new ATOM 0 HG13 VAL B 167 0.954 -2.091 18.902 1.00 0.00 H new ATOM 0 HG21 VAL B 167 1.768 -3.642 16.398 1.00 0.00 H new ATOM 0 HG22 VAL B 167 2.885 -3.015 17.633 1.00 0.00 H new ATOM 0 HG23 VAL B 167 2.922 -4.739 17.193 1.00 0.00 H new ATOM 2551 N VAL B 168 1.207 -3.382 21.756 1.00 0.00 N ATOM 2552 CA VAL B 168 0.307 -3.199 22.932 1.00 0.00 C ATOM 2553 C VAL B 168 -0.037 -4.555 23.555 1.00 0.00 C ATOM 2554 O VAL B 168 -0.964 -5.223 23.141 1.00 0.00 O ATOM 2555 CB VAL B 168 -0.947 -2.527 22.367 1.00 0.00 C ATOM 2556 CG1 VAL B 168 -2.125 -2.756 23.316 1.00 0.00 C ATOM 2557 CG2 VAL B 168 -0.700 -1.023 22.222 1.00 0.00 C ATOM 0 H VAL B 168 1.959 -2.698 21.676 1.00 0.00 H new ATOM 0 HA VAL B 168 0.769 -2.602 23.719 1.00 0.00 H new ATOM 0 HB VAL B 168 -1.177 -2.956 21.392 1.00 0.00 H new ATOM 0 HG11 VAL B 168 -3.017 -2.277 22.912 1.00 0.00 H new ATOM 0 HG12 VAL B 168 -2.305 -3.826 23.422 1.00 0.00 H new ATOM 0 HG13 VAL B 168 -1.894 -2.329 24.292 1.00 0.00 H new ATOM 0 HG21 VAL B 168 -1.593 -0.545 21.820 1.00 0.00 H new ATOM 0 HG22 VAL B 168 -0.468 -0.597 23.198 1.00 0.00 H new ATOM 0 HG23 VAL B 168 0.138 -0.855 21.545 1.00 0.00 H new