USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 796 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 NoAdj-H: A 47 ARGHH21 : A 47 ARG NH2 : A 42 ASP CG :(H bumps) USER MOD NoAdj-H: A 47 ARGHH22 : A 47 ARG NH2 : A 42 ASP OD1 :(H bumps) USER MOD Set 1.1: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 72 TYR OH : rot 180:sc= -0.0433 USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0.878 USER MOD Set 2.2: A 62 THR OG1 : rot -90:sc= 1 USER MOD Set 3.1: A 14 THR OG1 : rot 89:sc= 1.22 USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= -0.0199 USER MOD Single : A 0 SER N :NH3+ -111:sc= -0.0343 (180deg=-0.764) USER MOD Single : A 0 SER OG : rot 180:sc= 0.12 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.15) USER MOD Single : A 16 HIS : no HE2:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -150:sc= 0.0622 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 6:sc= 0.471 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -70:sc= 1.02 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -172:sc= -0.0719 USER MOD Single : A 40 LYS NZ :NH3+ -121:sc= -1.79 (180deg=-6.97!) USER MOD Single : A 45 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.23) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.907 K(o=-0.91,f=-6.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.0524 X(o=0.052,f=0) USER MOD Single : A 59 ASN : amide:sc= -2.59! C(o=-2.6!,f=-8.1!) USER MOD Single : A 64 SER OG : rot 180:sc= -1.05 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -15.6! C(o=-16!,f=-21!) USER MOD Single : A 86 SER OG : rot 140:sc= -0.984 USER MOD Single : A 89 SER OG : rot -31:sc= -0.85! USER MOD Single : A 92 SER OG : rot -93:sc= -1.88! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.00102 USER MOD Single : A 97 CYS SG : rot 80:sc= -1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -25.685 -4.492 -3.662 1.00 2.05 N ATOM 2 CA SER A 0 -24.653 -3.889 -2.778 1.00 1.55 C ATOM 3 C SER A 0 -23.247 -4.274 -3.229 1.00 1.39 C ATOM 4 O SER A 0 -22.612 -5.144 -2.632 1.00 1.50 O ATOM 5 CB SER A 0 -24.896 -4.372 -1.348 1.00 2.08 C ATOM 6 OG SER A 0 -26.282 -4.429 -1.057 1.00 2.74 O ATOM 0 H1 SER A 0 -26.149 -3.743 -4.215 1.00 2.05 H new ATOM 0 H2 SER A 0 -25.235 -5.171 -4.308 1.00 2.05 H new ATOM 0 H3 SER A 0 -26.394 -4.984 -3.082 1.00 2.05 H new ATOM 0 HA SER A 0 -24.729 -2.803 -2.828 1.00 1.55 H new ATOM 0 HB2 SER A 0 -24.452 -5.359 -1.214 1.00 2.08 H new ATOM 0 HB3 SER A 0 -24.401 -3.702 -0.645 1.00 2.08 H new ATOM 0 HG SER A 0 -26.411 -4.742 -0.137 1.00 2.74 H new ATOM 12 N PRO A 1 -22.737 -3.632 -4.293 1.00 1.23 N ATOM 13 CA PRO A 1 -21.406 -3.905 -4.827 1.00 1.19 C ATOM 14 C PRO A 1 -20.316 -3.213 -4.017 1.00 1.24 C ATOM 15 O PRO A 1 -20.526 -2.849 -2.859 1.00 2.06 O ATOM 16 CB PRO A 1 -21.458 -3.327 -6.254 1.00 1.18 C ATOM 17 CG PRO A 1 -22.856 -2.821 -6.444 1.00 1.26 C ATOM 18 CD PRO A 1 -23.407 -2.588 -5.069 1.00 1.24 C ATOM 0 HA PRO A 1 -21.165 -4.968 -4.797 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -20.732 -2.523 -6.376 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -21.215 -4.090 -6.993 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -22.861 -1.900 -7.027 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -23.462 -3.546 -6.988 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -23.172 -1.590 -4.699 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -24.492 -2.691 -5.041 1.00 1.24 H new ATOM 26 N ILE A 2 -19.154 -3.031 -4.633 1.00 0.68 N ATOM 27 CA ILE A 2 -18.032 -2.377 -3.973 1.00 0.61 C ATOM 28 C ILE A 2 -16.916 -2.076 -4.964 1.00 0.57 C ATOM 29 O ILE A 2 -16.673 -2.843 -5.896 1.00 0.63 O ATOM 30 CB ILE A 2 -17.463 -3.230 -2.823 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.322 -2.478 -2.125 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.983 -4.575 -3.353 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.496 -3.335 -1.188 1.00 0.56 C ATOM 0 H ILE A 2 -18.965 -3.328 -5.590 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.417 -1.445 -3.559 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.251 -3.414 -2.092 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.665 -2.052 -2.883 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.742 -1.645 -1.562 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.583 -5.168 -2.531 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.818 -5.105 -3.810 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -16.203 -4.415 -4.098 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.712 -2.728 -0.736 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.137 -3.741 -0.405 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -15.044 -4.154 -1.747 1.00 0.56 H new ATOM 45 N ASP A 3 -16.237 -0.956 -4.752 1.00 0.55 N ATOM 46 CA ASP A 3 -15.142 -0.551 -5.621 1.00 0.54 C ATOM 47 C ASP A 3 -13.898 -0.229 -4.793 1.00 0.47 C ATOM 48 O ASP A 3 -13.965 0.545 -3.840 1.00 0.49 O ATOM 49 CB ASP A 3 -15.549 0.665 -6.453 1.00 0.61 C ATOM 50 CG ASP A 3 -14.847 0.705 -7.795 1.00 1.15 C ATOM 51 OD1 ASP A 3 -14.677 -0.370 -8.408 1.00 1.64 O ATOM 52 OD2 ASP A 3 -14.466 1.810 -8.233 1.00 2.00 O ATOM 0 H ASP A 3 -16.426 -0.312 -3.984 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.910 -1.376 -6.295 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -16.628 0.650 -6.610 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -15.320 1.575 -5.898 1.00 0.61 H new ATOM 57 N PRO A 4 -12.744 -0.823 -5.141 1.00 0.44 N ATOM 58 CA PRO A 4 -11.492 -0.591 -4.413 1.00 0.41 C ATOM 59 C PRO A 4 -10.925 0.806 -4.650 1.00 0.38 C ATOM 60 O PRO A 4 -11.231 1.449 -5.654 1.00 0.43 O ATOM 61 CB PRO A 4 -10.557 -1.658 -4.981 1.00 0.45 C ATOM 62 CG PRO A 4 -11.068 -1.899 -6.357 1.00 0.50 C ATOM 63 CD PRO A 4 -12.563 -1.767 -6.261 1.00 0.50 C ATOM 0 HA PRO A 4 -11.629 -0.653 -3.333 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.523 -1.314 -4.995 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.582 -2.568 -4.382 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.655 -1.176 -7.061 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.784 -2.889 -6.713 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.994 -1.383 -7.186 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -13.040 -2.726 -6.061 1.00 0.50 H new ATOM 71 N PRO A 5 -10.087 1.295 -3.721 1.00 0.37 N ATOM 72 CA PRO A 5 -9.477 2.624 -3.830 1.00 0.39 C ATOM 73 C PRO A 5 -8.732 2.813 -5.145 1.00 0.38 C ATOM 74 O PRO A 5 -8.827 1.983 -6.051 1.00 0.47 O ATOM 75 CB PRO A 5 -8.501 2.668 -2.649 1.00 0.46 C ATOM 76 CG PRO A 5 -9.046 1.687 -1.671 1.00 0.71 C ATOM 77 CD PRO A 5 -9.670 0.595 -2.492 1.00 0.43 C ATOM 0 HA PRO A 5 -10.224 3.417 -3.811 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.492 2.398 -2.959 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.446 3.668 -2.218 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -8.256 1.293 -1.031 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.782 2.154 -1.017 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.960 -0.204 -2.705 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.518 0.140 -1.980 1.00 0.43 H new ATOM 85 N GLY A 6 -7.992 3.912 -5.244 1.00 0.37 N ATOM 86 CA GLY A 6 -7.240 4.200 -6.453 1.00 0.39 C ATOM 87 C GLY A 6 -5.969 3.377 -6.564 1.00 0.42 C ATOM 88 O GLY A 6 -5.880 2.285 -6.005 1.00 0.66 O ATOM 0 H GLY A 6 -7.899 4.611 -4.507 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.869 4.007 -7.322 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.985 5.259 -6.473 1.00 0.39 H new ATOM 92 N LYS A 7 -4.986 3.907 -7.287 1.00 0.41 N ATOM 93 CA LYS A 7 -3.712 3.217 -7.469 1.00 0.44 C ATOM 94 C LYS A 7 -2.685 3.698 -6.442 1.00 0.37 C ATOM 95 O LYS A 7 -2.635 4.886 -6.127 1.00 0.42 O ATOM 96 CB LYS A 7 -3.182 3.456 -8.883 1.00 0.54 C ATOM 97 CG LYS A 7 -2.341 2.310 -9.418 1.00 0.64 C ATOM 98 CD LYS A 7 -1.112 2.821 -10.150 1.00 1.01 C ATOM 99 CE LYS A 7 0.055 3.028 -9.198 1.00 0.95 C ATOM 100 NZ LYS A 7 1.209 3.687 -9.869 1.00 1.52 N ATOM 0 H LYS A 7 -5.047 4.811 -7.756 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.877 2.149 -7.323 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -4.024 3.622 -9.555 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.585 4.368 -8.889 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -2.034 1.666 -8.594 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -2.941 1.700 -10.093 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.828 2.111 -10.927 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -1.348 3.761 -10.648 1.00 1.01 H new ATOM 0 HE2 LYS A 7 -0.269 3.636 -8.353 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.370 2.065 -8.796 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 1.984 3.810 -9.186 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.535 3.095 -10.660 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 0.916 4.617 -10.231 1.00 1.52 H new ATOM 114 N PRO A 8 -1.847 2.790 -5.901 1.00 0.34 N ATOM 115 CA PRO A 8 -0.829 3.135 -4.907 1.00 0.32 C ATOM 116 C PRO A 8 0.483 3.589 -5.553 1.00 0.33 C ATOM 117 O PRO A 8 0.877 3.072 -6.598 1.00 0.44 O ATOM 118 CB PRO A 8 -0.628 1.809 -4.140 1.00 0.39 C ATOM 119 CG PRO A 8 -1.527 0.808 -4.813 1.00 0.44 C ATOM 120 CD PRO A 8 -1.800 1.355 -6.182 1.00 0.41 C ATOM 0 HA PRO A 8 -1.134 3.969 -4.275 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.413 1.488 -4.179 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.887 1.923 -3.087 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.048 -0.169 -4.871 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.453 0.676 -4.253 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.015 1.099 -6.893 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.738 0.984 -6.595 1.00 0.41 H new ATOM 128 N VAL A 9 1.154 4.560 -4.929 1.00 0.34 N ATOM 129 CA VAL A 9 2.418 5.078 -5.456 1.00 0.38 C ATOM 130 C VAL A 9 3.236 5.785 -4.367 1.00 0.34 C ATOM 131 O VAL A 9 2.739 6.704 -3.717 1.00 0.35 O ATOM 132 CB VAL A 9 2.162 6.065 -6.616 1.00 0.43 C ATOM 133 CG1 VAL A 9 1.520 7.347 -6.106 1.00 1.09 C ATOM 134 CG2 VAL A 9 3.455 6.365 -7.359 1.00 0.53 C ATOM 0 H VAL A 9 0.845 5.001 -4.063 1.00 0.34 H new ATOM 0 HA VAL A 9 2.987 4.223 -5.821 1.00 0.38 H new ATOM 0 HB VAL A 9 1.468 5.597 -7.314 1.00 0.43 H new ATOM 0 HG11 VAL A 9 1.350 8.026 -6.942 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.568 7.113 -5.629 1.00 1.09 H new ATOM 0 HG13 VAL A 9 2.182 7.822 -5.382 1.00 1.09 H new ATOM 0 HG21 VAL A 9 3.254 7.062 -8.172 1.00 0.53 H new ATOM 0 HG22 VAL A 9 4.175 6.808 -6.671 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.864 5.440 -7.766 1.00 0.53 H new ATOM 144 N PRO A 10 4.505 5.374 -4.149 1.00 0.34 N ATOM 145 CA PRO A 10 5.361 5.988 -3.132 1.00 0.32 C ATOM 146 C PRO A 10 5.802 7.397 -3.507 1.00 0.37 C ATOM 147 O PRO A 10 6.766 7.573 -4.251 1.00 0.64 O ATOM 148 CB PRO A 10 6.588 5.081 -3.054 1.00 0.38 C ATOM 149 CG PRO A 10 6.269 3.882 -3.881 1.00 0.39 C ATOM 150 CD PRO A 10 5.199 4.293 -4.857 1.00 0.42 C ATOM 0 HA PRO A 10 4.822 6.081 -2.189 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.474 5.591 -3.432 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.799 4.798 -2.023 1.00 0.38 H new ATOM 0 HG2 PRO A 10 7.156 3.529 -4.407 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.923 3.061 -3.253 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.623 4.636 -5.801 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.527 3.467 -5.091 1.00 0.42 H new ATOM 158 N LEU A 11 5.109 8.400 -2.986 1.00 0.34 N ATOM 159 CA LEU A 11 5.462 9.785 -3.274 1.00 0.43 C ATOM 160 C LEU A 11 6.879 10.072 -2.793 1.00 0.43 C ATOM 161 O LEU A 11 7.591 10.897 -3.363 1.00 0.57 O ATOM 162 CB LEU A 11 4.482 10.740 -2.597 1.00 0.56 C ATOM 163 CG LEU A 11 3.007 10.414 -2.815 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.404 9.819 -1.553 1.00 1.12 C ATOM 165 CD2 LEU A 11 2.245 11.659 -3.243 1.00 1.64 C ATOM 0 H LEU A 11 4.306 8.284 -2.367 1.00 0.34 H new ATOM 0 HA LEU A 11 5.410 9.938 -4.352 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.683 10.743 -1.526 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.673 11.750 -2.960 1.00 0.56 H new ATOM 0 HG LEU A 11 2.928 9.675 -3.613 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.352 9.592 -1.725 1.00 1.12 H new ATOM 0 HD12 LEU A 11 2.935 8.903 -1.293 1.00 1.12 H new ATOM 0 HD13 LEU A 11 2.492 10.534 -0.735 1.00 1.12 H new ATOM 0 HD21 LEU A 11 1.195 11.409 -3.394 1.00 1.64 H new ATOM 0 HD22 LEU A 11 2.329 12.421 -2.468 1.00 1.64 H new ATOM 0 HD23 LEU A 11 2.665 12.040 -4.174 1.00 1.64 H new ATOM 177 N ASN A 12 7.273 9.372 -1.736 1.00 0.34 N ATOM 178 CA ASN A 12 8.597 9.521 -1.152 1.00 0.36 C ATOM 179 C ASN A 12 9.060 8.182 -0.599 1.00 0.37 C ATOM 180 O ASN A 12 8.238 7.318 -0.308 1.00 0.58 O ATOM 181 CB ASN A 12 8.573 10.569 -0.037 1.00 0.42 C ATOM 182 CG ASN A 12 9.944 11.147 0.249 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.270 12.248 -0.194 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.755 10.404 0.991 1.00 0.71 N ATOM 0 H ASN A 12 6.684 8.687 -1.262 1.00 0.34 H new ATOM 0 HA ASN A 12 9.291 9.854 -1.924 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.894 11.375 -0.315 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.176 10.118 0.872 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.692 10.740 1.216 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.442 9.497 1.337 1.00 0.71 H new ATOM 191 N ILE A 13 10.365 8.003 -0.456 1.00 0.38 N ATOM 192 CA ILE A 13 10.892 6.752 0.066 1.00 0.43 C ATOM 193 C ILE A 13 12.112 6.988 0.953 1.00 0.53 C ATOM 194 O ILE A 13 13.201 7.296 0.468 1.00 0.75 O ATOM 195 CB ILE A 13 11.240 5.767 -1.069 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.947 6.492 -2.224 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.974 5.063 -1.554 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.021 7.270 -3.140 1.00 0.96 C ATOM 0 H ILE A 13 11.071 8.700 -0.691 1.00 0.38 H new ATOM 0 HA ILE A 13 10.106 6.306 0.675 1.00 0.43 H new ATOM 0 HB ILE A 13 11.928 5.015 -0.683 1.00 0.48 H new ATOM 0 HG12 ILE A 13 12.686 7.177 -1.808 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.492 5.758 -2.818 1.00 0.49 H new ATOM 0 HG21 ILE A 13 10.228 4.369 -2.355 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.524 4.513 -0.727 1.00 0.53 H new ATOM 0 HG23 ILE A 13 9.266 5.803 -1.926 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.605 7.749 -3.926 1.00 0.96 H new ATOM 0 HD12 ILE A 13 10.298 6.590 -3.589 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.494 8.031 -2.564 1.00 0.96 H new ATOM 210 N THR A 14 11.911 6.847 2.264 1.00 0.59 N ATOM 211 CA THR A 14 12.978 7.051 3.241 1.00 0.71 C ATOM 212 C THR A 14 13.709 5.755 3.552 1.00 0.79 C ATOM 213 O THR A 14 13.945 5.438 4.715 1.00 1.46 O ATOM 214 CB THR A 14 12.408 7.650 4.526 1.00 0.75 C ATOM 215 OG1 THR A 14 11.103 8.152 4.306 1.00 0.69 O ATOM 216 CG2 THR A 14 13.246 8.780 5.085 1.00 0.94 C ATOM 0 H THR A 14 11.013 6.591 2.674 1.00 0.59 H new ATOM 0 HA THR A 14 13.697 7.745 2.806 1.00 0.71 H new ATOM 0 HB THR A 14 12.403 6.833 5.248 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.448 7.439 4.459 1.00 0.69 H new ATOM 0 HG21 THR A 14 12.784 9.159 5.997 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.247 8.413 5.311 1.00 0.94 H new ATOM 0 HG23 THR A 14 13.311 9.583 4.350 1.00 0.94 H new ATOM 224 N ARG A 15 14.078 5.033 2.497 1.00 0.66 N ATOM 225 CA ARG A 15 14.804 3.770 2.620 1.00 0.67 C ATOM 226 C ARG A 15 14.055 2.759 3.489 1.00 0.71 C ATOM 227 O ARG A 15 13.495 1.787 2.985 1.00 1.19 O ATOM 228 CB ARG A 15 16.221 3.979 3.189 1.00 0.80 C ATOM 229 CG ARG A 15 16.741 5.415 3.171 1.00 0.96 C ATOM 230 CD ARG A 15 17.162 5.868 4.560 1.00 1.13 C ATOM 231 NE ARG A 15 17.843 7.160 4.535 1.00 1.43 N ATOM 232 CZ ARG A 15 19.131 7.310 4.246 1.00 1.67 C ATOM 233 NH1 ARG A 15 19.876 6.252 3.958 1.00 2.42 N ATOM 234 NH2 ARG A 15 19.675 8.518 4.245 1.00 1.90 N ATOM 0 H ARG A 15 13.883 5.306 1.534 1.00 0.66 H new ATOM 0 HA ARG A 15 14.883 3.369 1.609 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.235 3.621 4.218 1.00 0.80 H new ATOM 0 HB3 ARG A 15 16.914 3.355 2.625 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.589 5.488 2.490 1.00 0.96 H new ATOM 0 HG3 ARG A 15 15.966 6.080 2.789 1.00 0.96 H new ATOM 0 HD2 ARG A 15 16.283 5.935 5.201 1.00 1.13 H new ATOM 0 HD3 ARG A 15 17.821 5.120 5.000 1.00 1.13 H new ATOM 0 HE ARG A 15 17.298 7.995 4.752 1.00 1.43 H new ATOM 0 HH11 ARG A 15 19.461 5.320 3.958 1.00 2.42 H new ATOM 0 HH12 ARG A 15 20.865 6.370 3.736 1.00 2.42 H new ATOM 0 HH21 ARG A 15 19.105 9.334 4.466 1.00 1.90 H new ATOM 0 HH22 ARG A 15 20.664 8.632 4.023 1.00 1.90 H new ATOM 248 N HIS A 16 14.058 2.989 4.796 1.00 0.50 N ATOM 249 CA HIS A 16 13.388 2.092 5.735 1.00 0.54 C ATOM 250 C HIS A 16 11.891 2.367 5.807 1.00 0.57 C ATOM 251 O HIS A 16 11.096 1.456 6.035 1.00 0.97 O ATOM 252 CB HIS A 16 14.002 2.224 7.129 1.00 0.67 C ATOM 253 CG HIS A 16 15.276 1.458 7.298 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.785 1.071 8.518 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.153 1.003 6.366 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.929 0.410 8.296 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.197 0.341 7.006 1.00 0.86 N ATOM 0 H HIS A 16 14.517 3.789 5.232 1.00 0.50 H new ATOM 0 HA HIS A 16 13.529 1.075 5.370 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.191 3.277 7.335 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.280 1.879 7.869 1.00 0.67 H new ATOM 0 HD1 HIS A 16 15.365 1.255 9.429 1.00 0.97 H new ATOM 0 HD2 HIS A 16 16.056 1.134 5.298 1.00 0.78 H new ATOM 0 HE1 HIS A 16 17.551 -0.011 9.072 1.00 1.02 H new ATOM 265 N THR A 17 11.508 3.622 5.619 1.00 0.43 N ATOM 266 CA THR A 17 10.102 3.997 5.667 1.00 0.42 C ATOM 267 C THR A 17 9.690 4.717 4.391 1.00 0.38 C ATOM 268 O THR A 17 10.030 5.884 4.189 1.00 0.56 O ATOM 269 CB THR A 17 9.824 4.888 6.881 1.00 0.56 C ATOM 270 OG1 THR A 17 10.757 5.952 6.950 1.00 0.65 O ATOM 271 CG2 THR A 17 9.879 4.142 8.197 1.00 0.68 C ATOM 0 H THR A 17 12.148 4.394 5.433 1.00 0.43 H new ATOM 0 HA THR A 17 9.514 3.084 5.757 1.00 0.42 H new ATOM 0 HB THR A 17 8.811 5.262 6.736 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.560 6.510 7.732 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.673 4.832 9.015 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.133 3.347 8.196 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.871 3.709 8.329 1.00 0.68 H new ATOM 279 N VAL A 18 8.956 4.022 3.531 1.00 0.27 N ATOM 280 CA VAL A 18 8.506 4.614 2.282 1.00 0.33 C ATOM 281 C VAL A 18 7.125 5.249 2.451 1.00 0.32 C ATOM 282 O VAL A 18 6.375 4.883 3.351 1.00 0.51 O ATOM 283 CB VAL A 18 8.511 3.587 1.122 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.852 2.868 1.041 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.351 2.616 1.211 1.00 0.80 C ATOM 0 H VAL A 18 8.663 3.056 3.675 1.00 0.27 H new ATOM 0 HA VAL A 18 9.214 5.399 2.017 1.00 0.33 H new ATOM 0 HB VAL A 18 8.374 4.141 0.193 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.832 2.152 0.219 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.645 3.596 0.869 1.00 0.46 H new ATOM 0 HG13 VAL A 18 10.040 2.341 1.977 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.397 1.916 0.377 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.409 2.065 2.150 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.411 3.167 1.170 1.00 0.80 H new ATOM 295 N THR A 19 6.803 6.213 1.597 1.00 0.27 N ATOM 296 CA THR A 19 5.521 6.910 1.670 1.00 0.24 C ATOM 297 C THR A 19 4.756 6.818 0.353 1.00 0.22 C ATOM 298 O THR A 19 5.173 7.406 -0.643 1.00 0.34 O ATOM 299 CB THR A 19 5.765 8.385 2.013 1.00 0.28 C ATOM 300 OG1 THR A 19 6.116 8.534 3.376 1.00 0.35 O ATOM 301 CG2 THR A 19 4.572 9.282 1.743 1.00 0.32 C ATOM 0 H THR A 19 7.412 6.532 0.844 1.00 0.27 H new ATOM 0 HA THR A 19 4.920 6.433 2.444 1.00 0.24 H new ATOM 0 HB THR A 19 6.579 8.694 1.358 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.269 9.482 3.573 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.821 10.309 2.010 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.313 9.235 0.685 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.723 8.948 2.339 1.00 0.32 H new ATOM 309 N LEU A 20 3.626 6.111 0.359 1.00 0.28 N ATOM 310 CA LEU A 20 2.813 5.986 -0.843 1.00 0.26 C ATOM 311 C LEU A 20 1.371 6.380 -0.576 1.00 0.28 C ATOM 312 O LEU A 20 0.849 6.211 0.527 1.00 0.40 O ATOM 313 CB LEU A 20 2.854 4.568 -1.439 1.00 0.33 C ATOM 314 CG LEU A 20 3.144 3.420 -0.469 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.538 3.554 0.110 1.00 0.50 C ATOM 316 CD2 LEU A 20 2.099 3.354 0.632 1.00 0.52 C ATOM 0 H LEU A 20 3.258 5.622 1.175 1.00 0.28 H new ATOM 0 HA LEU A 20 3.246 6.671 -1.572 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.895 4.373 -1.919 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.612 4.550 -2.222 1.00 0.33 H new ATOM 0 HG LEU A 20 3.094 2.484 -1.026 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.727 2.730 0.797 1.00 0.50 H new ATOM 0 HD12 LEU A 20 5.271 3.530 -0.696 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.620 4.499 0.646 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.332 2.529 1.305 1.00 0.52 H new ATOM 0 HD22 LEU A 20 2.100 4.290 1.191 1.00 0.52 H new ATOM 0 HD23 LEU A 20 1.115 3.196 0.191 1.00 0.52 H new ATOM 328 N LYS A 21 0.740 6.904 -1.613 1.00 0.25 N ATOM 329 CA LYS A 21 -0.648 7.330 -1.545 1.00 0.31 C ATOM 330 C LYS A 21 -1.381 6.917 -2.822 1.00 0.31 C ATOM 331 O LYS A 21 -0.753 6.538 -3.813 1.00 0.51 O ATOM 332 CB LYS A 21 -0.737 8.852 -1.304 1.00 0.40 C ATOM 333 CG LYS A 21 -0.824 9.695 -2.568 1.00 0.81 C ATOM 334 CD LYS A 21 -2.230 9.670 -3.141 1.00 0.95 C ATOM 335 CE LYS A 21 -2.709 11.059 -3.527 1.00 1.26 C ATOM 336 NZ LYS A 21 -2.026 11.561 -4.753 1.00 1.84 N ATOM 0 H LYS A 21 1.175 7.046 -2.525 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.134 6.839 -0.702 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -1.612 9.057 -0.687 1.00 0.40 H new ATOM 0 HB3 LYS A 21 0.137 9.167 -0.734 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -0.536 10.722 -2.345 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -0.118 9.320 -3.309 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.254 9.021 -4.017 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.913 9.241 -2.408 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -3.786 11.038 -3.694 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -2.527 11.748 -2.702 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -2.380 12.511 -4.983 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -1.000 11.605 -4.586 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -2.220 10.917 -5.547 1.00 1.84 H new ATOM 350 N TRP A 22 -2.707 6.984 -2.789 1.00 0.25 N ATOM 351 CA TRP A 22 -3.516 6.611 -3.942 1.00 0.24 C ATOM 352 C TRP A 22 -4.721 7.560 -4.097 1.00 0.24 C ATOM 353 O TRP A 22 -4.533 8.771 -4.212 1.00 0.40 O ATOM 354 CB TRP A 22 -3.940 5.142 -3.812 1.00 0.27 C ATOM 355 CG TRP A 22 -4.480 4.790 -2.461 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.788 4.597 -2.118 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.720 4.584 -1.265 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.884 4.287 -0.785 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.629 4.275 -0.240 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.357 4.633 -0.963 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.220 4.016 1.063 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -1.951 4.375 0.333 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.882 4.069 1.333 1.00 0.32 C ATOM 0 H TRP A 22 -3.243 7.293 -1.978 1.00 0.25 H new ATOM 0 HA TRP A 22 -2.926 6.712 -4.853 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.697 4.923 -4.565 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.083 4.505 -4.028 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.624 4.677 -2.797 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.751 4.096 -0.282 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.633 4.868 -1.729 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -4.936 3.781 1.836 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.900 4.410 0.578 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.536 3.871 2.337 1.00 0.32 H new ATOM 374 N ALA A 23 -5.953 7.033 -4.105 1.00 0.31 N ATOM 375 CA ALA A 23 -7.134 7.873 -4.254 1.00 0.33 C ATOM 376 C ALA A 23 -8.380 7.172 -3.720 1.00 0.36 C ATOM 377 O ALA A 23 -8.591 5.988 -3.972 1.00 0.83 O ATOM 378 CB ALA A 23 -7.328 8.241 -5.716 1.00 0.36 C ATOM 0 H ALA A 23 -6.150 6.037 -4.010 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.981 8.781 -3.671 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.213 8.869 -5.819 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.454 8.785 -6.073 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.457 7.333 -6.306 1.00 0.36 H new ATOM 384 N LYS A 24 -9.206 7.908 -2.983 1.00 0.59 N ATOM 385 CA LYS A 24 -10.431 7.345 -2.422 1.00 0.61 C ATOM 386 C LYS A 24 -11.253 6.654 -3.509 1.00 0.59 C ATOM 387 O LYS A 24 -11.341 7.148 -4.632 1.00 0.69 O ATOM 388 CB LYS A 24 -11.268 8.444 -1.760 1.00 0.74 C ATOM 389 CG LYS A 24 -12.156 7.943 -0.632 1.00 1.21 C ATOM 390 CD LYS A 24 -13.440 7.322 -1.163 1.00 1.22 C ATOM 391 CE LYS A 24 -14.602 8.302 -1.101 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.477 8.209 -2.302 1.00 2.11 N ATOM 0 H LYS A 24 -9.051 8.891 -2.761 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.153 6.607 -1.670 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.600 9.212 -1.370 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.892 8.919 -2.517 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.613 7.206 -0.040 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.400 8.770 0.035 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.290 6.999 -2.193 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.682 6.432 -0.582 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -15.193 8.107 -0.206 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.215 9.317 -1.012 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -15.905 9.138 -2.493 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -14.910 7.914 -3.123 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -16.228 7.510 -2.131 1.00 2.11 H new ATOM 406 N PRO A 25 -11.865 5.499 -3.187 1.00 0.56 N ATOM 407 CA PRO A 25 -12.685 4.739 -4.137 1.00 0.63 C ATOM 408 C PRO A 25 -13.705 5.615 -4.858 1.00 0.75 C ATOM 409 O PRO A 25 -13.717 6.835 -4.698 1.00 0.89 O ATOM 410 CB PRO A 25 -13.398 3.696 -3.262 1.00 0.63 C ATOM 411 CG PRO A 25 -13.108 4.084 -1.848 1.00 0.71 C ATOM 412 CD PRO A 25 -11.811 4.837 -1.880 1.00 0.58 C ATOM 0 HA PRO A 25 -12.076 4.300 -4.927 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.471 3.692 -3.454 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.032 2.691 -3.475 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.908 4.703 -1.442 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -13.032 3.203 -1.210 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.738 5.555 -1.063 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.952 4.171 -1.797 1.00 0.58 H new ATOM 420 N GLU A 26 -14.562 4.986 -5.658 1.00 0.85 N ATOM 421 CA GLU A 26 -15.574 5.721 -6.407 1.00 1.05 C ATOM 422 C GLU A 26 -16.991 5.267 -6.062 1.00 0.95 C ATOM 423 O GLU A 26 -17.922 6.074 -6.068 1.00 1.12 O ATOM 424 CB GLU A 26 -15.335 5.562 -7.909 1.00 1.29 C ATOM 425 CG GLU A 26 -13.957 6.020 -8.358 1.00 1.83 C ATOM 426 CD GLU A 26 -13.531 5.386 -9.666 1.00 2.18 C ATOM 427 OE1 GLU A 26 -13.025 4.244 -9.634 1.00 2.77 O ATOM 428 OE2 GLU A 26 -13.705 6.028 -10.722 1.00 2.53 O ATOM 0 H GLU A 26 -14.575 3.976 -5.803 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.484 6.770 -6.126 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.467 4.515 -8.180 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.092 6.129 -8.451 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.956 7.105 -8.467 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -13.227 5.776 -7.586 1.00 1.83 H new ATOM 435 N TYR A 27 -17.164 3.980 -5.773 1.00 0.85 N ATOM 436 CA TYR A 27 -18.488 3.460 -5.445 1.00 0.84 C ATOM 437 C TYR A 27 -18.568 2.941 -4.013 1.00 0.86 C ATOM 438 O TYR A 27 -19.255 3.523 -3.175 1.00 1.37 O ATOM 439 CB TYR A 27 -18.884 2.347 -6.418 1.00 0.86 C ATOM 440 CG TYR A 27 -20.379 2.240 -6.626 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.088 3.237 -7.290 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.082 1.137 -6.160 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.453 3.134 -7.481 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.447 1.028 -6.347 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.129 2.058 -7.010 1.00 1.19 C ATOM 446 OH TYR A 27 -24.488 1.923 -7.196 1.00 1.35 O ATOM 0 H TYR A 27 -16.416 3.287 -5.759 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.185 4.293 -5.537 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.402 2.525 -7.379 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.507 1.395 -6.044 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.563 4.105 -7.662 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.553 0.351 -5.642 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -22.983 3.914 -8.008 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -22.981 0.161 -5.987 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.792 1.086 -6.788 1.00 1.35 H new ATOM 456 N THR A 28 -17.882 1.836 -3.741 1.00 0.65 N ATOM 457 CA THR A 28 -17.904 1.243 -2.409 1.00 0.61 C ATOM 458 C THR A 28 -19.341 1.007 -1.966 1.00 0.66 C ATOM 459 O THR A 28 -19.654 1.055 -0.777 1.00 0.81 O ATOM 460 CB THR A 28 -17.187 2.141 -1.400 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.923 3.327 -1.166 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.797 2.541 -1.839 1.00 0.79 C ATOM 0 H THR A 28 -17.308 1.336 -4.420 1.00 0.65 H new ATOM 0 HA THR A 28 -17.380 0.288 -2.452 1.00 0.61 H new ATOM 0 HB THR A 28 -17.107 1.544 -0.491 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.781 3.278 -1.638 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.344 3.177 -1.078 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.187 1.648 -1.975 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.856 3.087 -2.781 1.00 0.79 H new ATOM 470 N GLY A 29 -20.216 0.757 -2.937 1.00 0.75 N ATOM 471 CA GLY A 29 -21.613 0.521 -2.630 1.00 0.80 C ATOM 472 C GLY A 29 -22.189 1.607 -1.741 1.00 0.85 C ATOM 473 O GLY A 29 -22.507 2.701 -2.209 1.00 1.01 O ATOM 0 H GLY A 29 -19.981 0.714 -3.929 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.185 0.470 -3.557 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.718 -0.445 -2.137 1.00 0.80 H new ATOM 477 N GLY A 30 -22.307 1.304 -0.456 1.00 0.83 N ATOM 478 CA GLY A 30 -22.827 2.264 0.499 1.00 0.89 C ATOM 479 C GLY A 30 -21.983 2.278 1.754 1.00 0.85 C ATOM 480 O GLY A 30 -22.481 2.517 2.855 1.00 0.98 O ATOM 0 H GLY A 30 -22.050 0.402 -0.054 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.841 3.258 0.052 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.858 2.013 0.750 1.00 0.89 H new ATOM 484 N PHE A 31 -20.698 1.997 1.571 1.00 0.73 N ATOM 485 CA PHE A 31 -19.741 1.941 2.668 1.00 0.69 C ATOM 486 C PHE A 31 -18.745 3.095 2.602 1.00 0.67 C ATOM 487 O PHE A 31 -18.896 4.017 1.801 1.00 0.74 O ATOM 488 CB PHE A 31 -18.990 0.603 2.629 1.00 0.63 C ATOM 489 CG PHE A 31 -19.766 -0.515 1.981 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.934 -0.988 2.562 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.335 -1.086 0.790 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.653 -2.009 1.971 1.00 0.87 C ATOM 493 CE2 PHE A 31 -20.052 -2.108 0.197 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.213 -2.570 0.788 1.00 0.83 C ATOM 0 H PHE A 31 -20.291 1.801 0.657 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.293 2.029 3.604 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.052 0.740 2.091 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.734 0.311 3.648 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.285 -0.553 3.486 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.430 -0.727 0.322 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.560 -2.369 2.434 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.705 -2.545 -0.728 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.775 -3.368 0.326 1.00 0.83 H new ATOM 504 N LYS A 32 -17.729 3.032 3.459 1.00 0.68 N ATOM 505 CA LYS A 32 -16.699 4.068 3.515 1.00 0.72 C ATOM 506 C LYS A 32 -15.311 3.463 3.717 1.00 0.66 C ATOM 507 O LYS A 32 -14.397 4.141 4.182 1.00 0.74 O ATOM 508 CB LYS A 32 -16.998 5.049 4.649 1.00 0.86 C ATOM 509 CG LYS A 32 -16.871 6.510 4.245 1.00 1.38 C ATOM 510 CD LYS A 32 -16.415 7.376 5.410 1.00 1.38 C ATOM 511 CE LYS A 32 -14.902 7.354 5.565 1.00 1.50 C ATOM 512 NZ LYS A 32 -14.462 7.998 6.836 1.00 2.26 N ATOM 0 H LYS A 32 -17.596 2.272 4.126 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.709 4.596 2.562 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -18.009 4.869 5.015 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -16.318 4.850 5.478 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -16.160 6.600 3.424 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.831 6.871 3.877 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -16.751 8.401 5.255 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -16.881 7.024 6.330 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -14.550 6.323 5.540 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.443 7.868 4.720 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -13.425 7.962 6.903 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -14.775 8.990 6.849 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -14.879 7.492 7.644 1.00 2.26 H new ATOM 526 N ILE A 33 -15.159 2.187 3.370 1.00 0.67 N ATOM 527 CA ILE A 33 -13.879 1.500 3.521 1.00 0.66 C ATOM 528 C ILE A 33 -13.524 1.330 4.994 1.00 0.80 C ATOM 529 O ILE A 33 -13.544 0.219 5.525 1.00 1.71 O ATOM 530 CB ILE A 33 -12.741 2.261 2.814 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.069 2.448 1.330 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.418 1.528 2.994 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.915 1.189 0.505 1.00 0.91 C ATOM 0 H ILE A 33 -15.905 1.609 2.983 1.00 0.67 H new ATOM 0 HA ILE A 33 -13.988 0.520 3.057 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.644 3.247 3.267 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.093 2.809 1.237 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -12.420 3.222 0.919 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.625 2.079 2.488 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.186 1.451 4.056 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.495 0.528 2.566 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.165 1.402 -0.534 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -11.885 0.838 0.566 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -13.584 0.419 0.888 1.00 0.91 H new ATOM 545 N THR A 34 -13.211 2.445 5.650 1.00 0.72 N ATOM 546 CA THR A 34 -12.862 2.441 7.071 1.00 0.73 C ATOM 547 C THR A 34 -11.446 1.920 7.322 1.00 0.59 C ATOM 548 O THR A 34 -11.067 1.689 8.469 1.00 0.76 O ATOM 549 CB THR A 34 -13.865 1.603 7.874 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.444 0.252 7.945 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.267 1.617 7.301 1.00 1.15 C ATOM 0 H THR A 34 -13.192 3.369 5.218 1.00 0.72 H new ATOM 0 HA THR A 34 -12.901 3.478 7.404 1.00 0.73 H new ATOM 0 HB THR A 34 -13.894 2.064 8.861 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.525 -0.163 7.061 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.920 1.003 7.922 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.642 2.640 7.282 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.250 1.218 6.287 1.00 1.15 H new ATOM 559 N SER A 35 -10.659 1.734 6.259 1.00 0.49 N ATOM 560 CA SER A 35 -9.285 1.238 6.410 1.00 0.47 C ATOM 561 C SER A 35 -8.682 0.831 5.069 1.00 0.45 C ATOM 562 O SER A 35 -9.327 0.159 4.268 1.00 0.72 O ATOM 563 CB SER A 35 -9.245 0.039 7.364 1.00 0.64 C ATOM 564 OG SER A 35 -8.053 -0.709 7.193 1.00 1.58 O ATOM 0 H SER A 35 -10.943 1.916 5.296 1.00 0.49 H new ATOM 0 HA SER A 35 -8.694 2.055 6.823 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.315 0.388 8.394 1.00 0.64 H new ATOM 0 HB3 SER A 35 -10.109 -0.601 7.185 1.00 0.64 H new ATOM 0 HG SER A 35 -8.051 -1.467 7.814 1.00 1.58 H new ATOM 570 N TYR A 36 -7.433 1.231 4.837 1.00 0.27 N ATOM 571 CA TYR A 36 -6.743 0.895 3.601 1.00 0.28 C ATOM 572 C TYR A 36 -5.480 0.094 3.894 1.00 0.33 C ATOM 573 O TYR A 36 -4.427 0.664 4.172 1.00 0.68 O ATOM 574 CB TYR A 36 -6.383 2.161 2.829 1.00 0.29 C ATOM 575 CG TYR A 36 -7.575 3.009 2.450 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.624 2.476 1.713 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.650 4.342 2.830 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.716 3.248 1.365 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.738 5.120 2.487 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.769 4.569 1.754 1.00 0.60 C ATOM 581 OH TYR A 36 -10.854 5.344 1.410 1.00 0.76 O ATOM 0 H TYR A 36 -6.882 1.787 5.490 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.413 0.288 2.993 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.701 2.760 3.432 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.846 1.881 1.923 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.586 1.441 1.407 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.845 4.777 3.403 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.524 2.818 0.791 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.782 6.155 2.791 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.678 6.278 1.650 1.00 0.76 H new ATOM 591 N ILE A 37 -5.591 -1.228 3.831 1.00 0.24 N ATOM 592 CA ILE A 37 -4.458 -2.106 4.093 1.00 0.26 C ATOM 593 C ILE A 37 -3.420 -2.021 2.978 1.00 0.33 C ATOM 594 O ILE A 37 -3.753 -1.727 1.830 1.00 0.70 O ATOM 595 CB ILE A 37 -4.905 -3.571 4.243 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.188 -3.660 5.077 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.793 -4.393 4.876 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.560 -5.072 5.477 1.00 1.14 C ATOM 0 H ILE A 37 -6.457 -1.716 3.600 1.00 0.24 H new ATOM 0 HA ILE A 37 -4.012 -1.768 5.028 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.117 -3.976 3.254 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.068 -3.057 5.977 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -7.010 -3.225 4.509 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.119 -5.428 4.978 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.906 -4.352 4.244 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.556 -3.988 5.860 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.478 -5.054 6.064 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -6.714 -5.675 4.582 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -5.757 -5.505 6.073 1.00 1.14 H new ATOM 610 N VAL A 38 -2.162 -2.280 3.325 1.00 0.36 N ATOM 611 CA VAL A 38 -1.080 -2.235 2.350 1.00 0.42 C ATOM 612 C VAL A 38 -0.310 -3.547 2.319 1.00 0.35 C ATOM 613 O VAL A 38 0.489 -3.830 3.211 1.00 0.48 O ATOM 614 CB VAL A 38 -0.083 -1.097 2.642 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.671 -0.722 1.375 1.00 0.51 C ATOM 616 CG2 VAL A 38 -0.789 0.113 3.233 1.00 0.46 C ATOM 0 H VAL A 38 -1.869 -2.522 4.271 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.553 -2.057 1.384 1.00 0.42 H new ATOM 0 HB VAL A 38 0.635 -1.451 3.381 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.372 0.083 1.594 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.218 -1.590 1.007 1.00 0.51 H new ATOM 0 HG13 VAL A 38 -0.037 -0.390 0.615 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.060 0.900 3.429 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.537 0.478 2.529 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.277 -0.170 4.166 1.00 0.46 H new ATOM 626 N GLU A 39 -0.550 -4.342 1.286 1.00 0.30 N ATOM 627 CA GLU A 39 0.131 -5.618 1.137 1.00 0.33 C ATOM 628 C GLU A 39 1.559 -5.398 0.652 1.00 0.32 C ATOM 629 O GLU A 39 1.770 -4.907 -0.453 1.00 0.43 O ATOM 630 CB GLU A 39 -0.626 -6.509 0.154 1.00 0.42 C ATOM 631 CG GLU A 39 -1.467 -7.579 0.830 1.00 0.51 C ATOM 632 CD GLU A 39 -1.046 -8.982 0.437 1.00 0.92 C ATOM 633 OE1 GLU A 39 0.113 -9.354 0.714 1.00 1.52 O ATOM 634 OE2 GLU A 39 -1.877 -9.708 -0.149 1.00 1.67 O ATOM 0 H GLU A 39 -1.211 -4.125 0.540 1.00 0.30 H new ATOM 0 HA GLU A 39 0.161 -6.113 2.107 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -1.273 -5.887 -0.464 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.089 -6.988 -0.514 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.388 -7.469 1.912 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.515 -7.431 0.570 1.00 0.51 H new ATOM 641 N LYS A 40 2.533 -5.755 1.482 1.00 0.28 N ATOM 642 CA LYS A 40 3.940 -5.578 1.124 1.00 0.31 C ATOM 643 C LYS A 40 4.536 -6.817 0.485 1.00 0.29 C ATOM 644 O LYS A 40 4.163 -7.946 0.802 1.00 0.35 O ATOM 645 CB LYS A 40 4.804 -5.248 2.343 1.00 0.43 C ATOM 646 CG LYS A 40 4.321 -4.089 3.182 1.00 0.92 C ATOM 647 CD LYS A 40 5.506 -3.319 3.760 1.00 1.14 C ATOM 648 CE LYS A 40 6.481 -4.238 4.487 1.00 1.65 C ATOM 649 NZ LYS A 40 6.933 -3.666 5.786 1.00 1.97 N ATOM 0 H LYS A 40 2.378 -6.166 2.402 1.00 0.28 H new ATOM 0 HA LYS A 40 3.945 -4.751 0.414 1.00 0.31 H new ATOM 0 HB2 LYS A 40 4.863 -6.133 2.976 1.00 0.43 H new ATOM 0 HB3 LYS A 40 5.816 -5.031 2.002 1.00 0.43 H new ATOM 0 HG2 LYS A 40 3.708 -3.423 2.575 1.00 0.92 H new ATOM 0 HG3 LYS A 40 3.689 -4.456 3.990 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.028 -2.799 2.957 1.00 1.14 H new ATOM 0 HD3 LYS A 40 5.142 -2.557 4.450 1.00 1.14 H new ATOM 0 HE2 LYS A 40 6.005 -5.203 4.663 1.00 1.65 H new ATOM 0 HE3 LYS A 40 7.348 -4.421 3.852 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 7.968 -3.566 5.780 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 6.496 -2.733 5.925 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 6.651 -4.300 6.561 1.00 1.97 H new ATOM 663 N ARG A 41 5.501 -6.584 -0.389 1.00 0.36 N ATOM 664 CA ARG A 41 6.207 -7.656 -1.058 1.00 0.40 C ATOM 665 C ARG A 41 7.696 -7.357 -1.034 1.00 0.41 C ATOM 666 O ARG A 41 8.239 -6.766 -1.972 1.00 0.43 O ATOM 667 CB ARG A 41 5.728 -7.842 -2.497 1.00 0.46 C ATOM 668 CG ARG A 41 6.233 -9.132 -3.126 1.00 0.58 C ATOM 669 CD ARG A 41 5.442 -9.506 -4.366 1.00 0.88 C ATOM 670 NE ARG A 41 4.512 -10.604 -4.112 1.00 0.95 N ATOM 671 CZ ARG A 41 3.966 -11.343 -5.071 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.254 -11.103 -6.342 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.132 -12.326 -4.759 1.00 1.44 N ATOM 0 H ARG A 41 5.814 -5.649 -0.652 1.00 0.36 H new ATOM 0 HA ARG A 41 6.003 -8.587 -0.529 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.638 -7.837 -2.516 1.00 0.46 H new ATOM 0 HB3 ARG A 41 6.061 -6.996 -3.098 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.285 -9.021 -3.387 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.169 -9.940 -2.397 1.00 0.58 H new ATOM 0 HD2 ARG A 41 4.888 -8.636 -4.719 1.00 0.88 H new ATOM 0 HD3 ARG A 41 6.130 -9.790 -5.163 1.00 0.88 H new ATOM 0 HE ARG A 41 4.269 -10.815 -3.144 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.896 -10.349 -6.586 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.833 -11.672 -7.077 1.00 1.44 H new ATOM 0 HH21 ARG A 41 2.909 -12.515 -3.782 1.00 1.44 H new ATOM 0 HH22 ARG A 41 2.713 -12.893 -5.496 1.00 1.44 H new ATOM 687 N ASP A 42 8.346 -7.759 0.055 1.00 0.50 N ATOM 688 CA ASP A 42 9.772 -7.538 0.219 1.00 0.57 C ATOM 689 C ASP A 42 10.537 -8.324 -0.834 1.00 0.62 C ATOM 690 O ASP A 42 10.928 -9.469 -0.607 1.00 0.91 O ATOM 691 CB ASP A 42 10.223 -7.967 1.613 1.00 0.71 C ATOM 692 CG ASP A 42 9.064 -8.412 2.483 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.055 -8.894 1.926 1.00 1.49 O ATOM 694 OD2 ASP A 42 9.166 -8.281 3.721 1.00 1.59 O ATOM 0 H ASP A 42 7.902 -8.241 0.837 1.00 0.50 H new ATOM 0 HA ASP A 42 9.977 -6.474 0.098 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.942 -8.782 1.525 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.739 -7.138 2.096 1.00 0.71 H new ATOM 699 N LEU A 43 10.732 -7.709 -1.987 1.00 0.63 N ATOM 700 CA LEU A 43 11.437 -8.357 -3.087 1.00 0.68 C ATOM 701 C LEU A 43 12.916 -8.563 -2.761 1.00 0.81 C ATOM 702 O LEU A 43 13.522 -7.749 -2.064 1.00 0.90 O ATOM 703 CB LEU A 43 11.294 -7.532 -4.363 1.00 0.62 C ATOM 704 CG LEU A 43 9.871 -7.064 -4.671 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.890 -6.008 -5.760 1.00 0.80 C ATOM 706 CD2 LEU A 43 8.992 -8.237 -5.071 1.00 0.70 C ATOM 0 H LEU A 43 10.413 -6.761 -2.189 1.00 0.63 H new ATOM 0 HA LEU A 43 10.986 -9.338 -3.239 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.940 -6.657 -4.287 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.656 -8.124 -5.204 1.00 0.62 H new ATOM 0 HG LEU A 43 9.449 -6.622 -3.768 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.871 -5.683 -5.970 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.482 -5.155 -5.429 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.331 -6.426 -6.665 1.00 0.80 H new ATOM 0 HD21 LEU A 43 7.985 -7.880 -5.285 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.405 -8.714 -5.960 1.00 0.70 H new ATOM 0 HD23 LEU A 43 8.955 -8.959 -4.255 1.00 0.70 H new ATOM 718 N PRO A 44 13.521 -9.661 -3.262 1.00 0.92 N ATOM 719 CA PRO A 44 12.846 -10.654 -4.092 1.00 0.99 C ATOM 720 C PRO A 44 12.282 -11.809 -3.271 1.00 1.15 C ATOM 721 O PRO A 44 12.349 -12.965 -3.687 1.00 1.43 O ATOM 722 CB PRO A 44 13.981 -11.140 -4.984 1.00 1.15 C ATOM 723 CG PRO A 44 15.198 -11.070 -4.117 1.00 1.25 C ATOM 724 CD PRO A 44 14.933 -10.021 -3.056 1.00 1.08 C ATOM 0 HA PRO A 44 11.987 -10.248 -4.626 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.802 -12.156 -5.335 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.087 -10.512 -5.868 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.400 -12.038 -3.659 1.00 1.25 H new ATOM 0 HG3 PRO A 44 16.076 -10.807 -4.707 1.00 1.25 H new ATOM 0 HD2 PRO A 44 15.103 -10.414 -2.054 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.587 -9.157 -3.175 1.00 1.08 H new ATOM 732 N ASN A 45 11.731 -11.493 -2.102 1.00 1.14 N ATOM 733 CA ASN A 45 11.165 -12.517 -1.232 1.00 1.33 C ATOM 734 C ASN A 45 9.932 -12.007 -0.493 1.00 1.43 C ATOM 735 O ASN A 45 9.763 -12.259 0.700 1.00 2.42 O ATOM 736 CB ASN A 45 12.214 -12.993 -0.227 1.00 1.66 C ATOM 737 CG ASN A 45 13.348 -13.748 -0.894 1.00 1.93 C ATOM 738 OD1 ASN A 45 13.141 -14.809 -1.481 1.00 2.66 O ATOM 739 ND2 ASN A 45 14.555 -13.201 -0.805 1.00 1.89 N ATOM 0 H ASN A 45 11.665 -10.542 -1.738 1.00 1.14 H new ATOM 0 HA ASN A 45 10.858 -13.353 -1.860 1.00 1.33 H new ATOM 0 HB2 ASN A 45 12.618 -12.134 0.308 1.00 1.66 H new ATOM 0 HB3 ASN A 45 11.739 -13.636 0.514 1.00 1.66 H new ATOM 0 HD21 ASN A 45 15.357 -13.663 -1.234 1.00 1.89 H new ATOM 0 HD22 ASN A 45 14.680 -12.319 -0.308 1.00 1.89 H new ATOM 746 N GLY A 46 9.068 -11.294 -1.208 1.00 0.90 N ATOM 747 CA GLY A 46 7.860 -10.769 -0.599 1.00 1.12 C ATOM 748 C GLY A 46 6.702 -11.745 -0.681 1.00 0.76 C ATOM 749 O GLY A 46 6.860 -12.866 -1.163 1.00 0.96 O ATOM 0 H GLY A 46 9.182 -11.071 -2.197 1.00 0.90 H new ATOM 0 HA2 GLY A 46 8.057 -10.530 0.446 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.583 -9.837 -1.092 1.00 1.12 H new ATOM 753 N ARG A 47 5.532 -11.320 -0.207 1.00 0.80 N ATOM 754 CA ARG A 47 4.342 -12.169 -0.229 1.00 0.76 C ATOM 755 C ARG A 47 3.085 -11.364 0.087 1.00 0.85 C ATOM 756 O ARG A 47 2.126 -11.893 0.648 1.00 1.71 O ATOM 757 CB ARG A 47 4.470 -13.330 0.771 1.00 0.99 C ATOM 758 CG ARG A 47 5.520 -13.122 1.855 1.00 1.31 C ATOM 759 CD ARG A 47 5.364 -11.775 2.546 1.00 1.11 C ATOM 760 NE ARG A 47 6.659 -11.139 2.786 1.00 1.41 N ATOM 761 CZ ARG A 47 6.843 -9.823 2.872 1.00 1.71 C ATOM 762 NH1 ARG A 47 5.821 -8.987 2.739 1.00 2.41 N ATOM 763 NH2 ARG A 47 8.058 -9.341 3.093 1.00 2.03 N ATOM 0 H ARG A 47 5.383 -10.395 0.196 1.00 0.80 H new ATOM 0 HA ARG A 47 4.257 -12.577 -1.236 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.503 -13.490 1.247 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.710 -14.240 0.222 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.442 -13.920 2.594 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.515 -13.191 1.415 1.00 1.31 H new ATOM 0 HD2 ARG A 47 4.745 -11.120 1.933 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.843 -11.910 3.494 1.00 1.11 H new ATOM 0 HE ARG A 47 7.474 -11.743 2.895 1.00 1.41 H new ATOM 0 HH11 ARG A 47 4.883 -9.351 2.569 1.00 2.41 H new ATOM 0 HH12 ARG A 47 5.973 -7.981 2.807 1.00 2.41 H new ATOM 777 N TRP A 48 3.094 -10.084 -0.275 1.00 0.50 N ATOM 778 CA TRP A 48 1.951 -9.211 -0.029 1.00 0.43 C ATOM 779 C TRP A 48 1.440 -9.361 1.401 1.00 0.45 C ATOM 780 O TRP A 48 0.553 -10.173 1.664 1.00 0.65 O ATOM 781 CB TRP A 48 0.832 -9.535 -1.006 1.00 0.47 C ATOM 782 CG TRP A 48 1.252 -9.407 -2.435 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.100 -10.341 -3.416 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.902 -8.286 -3.043 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.614 -9.868 -4.596 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.112 -8.609 -4.394 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.325 -7.040 -2.575 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.726 -7.733 -5.283 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.936 -6.172 -3.457 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.129 -6.521 -4.798 1.00 0.38 C ATOM 0 H TRP A 48 3.880 -9.629 -0.739 1.00 0.50 H new ATOM 0 HA TRP A 48 2.277 -8.181 -0.172 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.482 -10.551 -0.825 1.00 0.47 H new ATOM 0 HB3 TRP A 48 -0.011 -8.869 -0.819 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.642 -11.310 -3.284 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.624 -10.373 -5.482 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.177 -6.761 -1.542 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.878 -8.001 -6.318 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.271 -5.207 -3.106 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.607 -5.817 -5.464 1.00 0.38 H new ATOM 801 N LEU A 49 2.001 -8.587 2.328 1.00 0.38 N ATOM 802 CA LEU A 49 1.581 -8.666 3.724 1.00 0.42 C ATOM 803 C LEU A 49 1.264 -7.286 4.291 1.00 0.36 C ATOM 804 O LEU A 49 2.003 -6.326 4.073 1.00 0.39 O ATOM 805 CB LEU A 49 2.663 -9.347 4.564 1.00 0.52 C ATOM 806 CG LEU A 49 2.266 -10.704 5.150 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.073 -10.554 6.080 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.957 -11.696 4.038 1.00 0.84 C ATOM 0 H LEU A 49 2.738 -7.907 2.141 1.00 0.38 H new ATOM 0 HA LEU A 49 0.669 -9.261 3.765 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.551 -9.480 3.947 1.00 0.52 H new ATOM 0 HB3 LEU A 49 2.940 -8.682 5.382 1.00 0.52 H new ATOM 0 HG LEU A 49 3.106 -11.089 5.729 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.804 -11.529 6.487 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.330 -9.878 6.896 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.228 -10.148 5.525 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.677 -12.655 4.474 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.134 -11.318 3.432 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.839 -11.826 3.411 1.00 0.84 H new ATOM 820 N LYS A 50 0.156 -7.199 5.023 1.00 0.40 N ATOM 821 CA LYS A 50 -0.272 -5.944 5.628 1.00 0.40 C ATOM 822 C LYS A 50 0.725 -5.478 6.686 1.00 0.47 C ATOM 823 O LYS A 50 0.508 -5.654 7.884 1.00 0.85 O ATOM 824 CB LYS A 50 -1.665 -6.103 6.245 1.00 0.59 C ATOM 825 CG LYS A 50 -1.781 -7.260 7.226 1.00 0.72 C ATOM 826 CD LYS A 50 -3.188 -7.369 7.791 1.00 1.03 C ATOM 827 CE LYS A 50 -3.628 -6.067 8.440 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.665 -6.292 9.484 1.00 1.30 N ATOM 0 H LYS A 50 -0.463 -7.988 5.211 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.315 -5.186 4.846 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.932 -5.178 6.757 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.391 -6.245 5.445 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -1.515 -8.191 6.726 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -1.070 -7.121 8.040 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.883 -7.632 6.993 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -3.226 -8.174 8.525 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.765 -5.573 8.886 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -4.020 -5.395 7.677 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.939 -5.381 9.903 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -5.499 -6.740 9.054 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -4.282 -6.913 10.225 1.00 1.30 H new ATOM 842 N ALA A 51 1.819 -4.883 6.231 1.00 0.45 N ATOM 843 CA ALA A 51 2.856 -4.394 7.128 1.00 0.63 C ATOM 844 C ALA A 51 2.358 -3.247 8.000 1.00 0.55 C ATOM 845 O ALA A 51 2.633 -3.209 9.199 1.00 0.72 O ATOM 846 CB ALA A 51 4.066 -3.948 6.332 1.00 0.86 C ATOM 0 H ALA A 51 2.011 -4.727 5.242 1.00 0.45 H new ATOM 0 HA ALA A 51 3.134 -5.216 7.787 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.835 -3.584 7.013 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.456 -4.790 5.760 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.778 -3.148 5.649 1.00 0.86 H new ATOM 852 N ASN A 52 1.631 -2.307 7.394 1.00 0.42 N ATOM 853 CA ASN A 52 1.106 -1.152 8.130 1.00 0.43 C ATOM 854 C ASN A 52 0.556 -1.558 9.493 1.00 0.59 C ATOM 855 O ASN A 52 0.984 -1.035 10.523 1.00 1.60 O ATOM 856 CB ASN A 52 0.015 -0.438 7.331 1.00 0.38 C ATOM 857 CG ASN A 52 -1.022 -1.388 6.763 1.00 0.96 C ATOM 858 OD1 ASN A 52 -0.700 -2.284 5.983 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.278 -1.196 7.157 1.00 0.62 N ATOM 0 H ASN A 52 1.393 -2.320 6.402 1.00 0.42 H new ATOM 0 HA ASN A 52 1.941 -0.468 8.282 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.480 0.290 7.973 1.00 0.38 H new ATOM 0 HB3 ASN A 52 0.476 0.119 6.515 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.020 -1.805 6.811 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.499 -0.440 7.805 1.00 0.62 H new ATOM 866 N PHE A 53 -0.394 -2.488 9.496 1.00 0.81 N ATOM 867 CA PHE A 53 -1.007 -2.968 10.734 1.00 0.82 C ATOM 868 C PHE A 53 -1.996 -1.952 11.316 1.00 0.84 C ATOM 869 O PHE A 53 -3.128 -2.305 11.646 1.00 1.20 O ATOM 870 CB PHE A 53 0.068 -3.310 11.769 1.00 0.96 C ATOM 871 CG PHE A 53 0.125 -4.771 12.113 1.00 1.15 C ATOM 872 CD1 PHE A 53 -1.039 -5.489 12.335 1.00 1.32 C ATOM 873 CD2 PHE A 53 1.341 -5.426 12.213 1.00 1.68 C ATOM 874 CE1 PHE A 53 -0.991 -6.832 12.651 1.00 1.66 C ATOM 875 CE2 PHE A 53 1.396 -6.770 12.529 1.00 2.08 C ATOM 876 CZ PHE A 53 0.229 -7.474 12.748 1.00 1.96 C ATOM 0 H PHE A 53 -0.759 -2.927 8.651 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.567 -3.870 10.488 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.040 -2.996 11.389 1.00 0.96 H new ATOM 0 HB3 PHE A 53 -0.119 -2.738 12.678 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.995 -4.992 12.260 1.00 1.32 H new ATOM 0 HD2 PHE A 53 2.257 -4.880 12.042 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -1.906 -7.380 12.822 1.00 1.66 H new ATOM 0 HE2 PHE A 53 2.351 -7.269 12.605 1.00 2.08 H new ATOM 0 HZ PHE A 53 0.269 -8.525 12.995 1.00 1.96 H new ATOM 886 N SER A 54 -1.571 -0.693 11.447 1.00 0.79 N ATOM 887 CA SER A 54 -2.431 0.350 11.995 1.00 0.89 C ATOM 888 C SER A 54 -3.642 0.592 11.101 1.00 0.95 C ATOM 889 O SER A 54 -3.867 -0.131 10.130 1.00 1.89 O ATOM 890 CB SER A 54 -1.645 1.650 12.172 1.00 1.00 C ATOM 891 OG SER A 54 -1.287 1.848 13.528 1.00 1.71 O ATOM 0 H SER A 54 -0.639 -0.375 11.181 1.00 0.79 H new ATOM 0 HA SER A 54 -2.787 0.012 12.968 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.746 1.622 11.556 1.00 1.00 H new ATOM 0 HB3 SER A 54 -2.244 2.491 11.824 1.00 1.00 H new ATOM 0 HG SER A 54 -0.784 2.685 13.615 1.00 1.71 H new ATOM 897 N ASN A 55 -4.422 1.613 11.442 1.00 0.75 N ATOM 898 CA ASN A 55 -5.616 1.954 10.678 1.00 0.69 C ATOM 899 C ASN A 55 -5.332 3.062 9.670 1.00 0.66 C ATOM 900 O ASN A 55 -5.170 4.225 10.039 1.00 1.05 O ATOM 901 CB ASN A 55 -6.737 2.395 11.620 1.00 0.84 C ATOM 902 CG ASN A 55 -8.105 1.959 11.136 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.825 1.245 11.834 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.471 2.390 9.935 1.00 0.83 N ATOM 0 H ASN A 55 -4.248 2.219 12.244 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.926 1.063 10.132 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.557 1.982 12.612 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.719 3.480 11.719 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.382 2.131 9.556 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.841 2.980 9.391 1.00 0.83 H new ATOM 911 N ILE A 56 -5.278 2.693 8.394 1.00 0.40 N ATOM 912 CA ILE A 56 -5.021 3.657 7.330 1.00 0.33 C ATOM 913 C ILE A 56 -6.316 4.316 6.868 1.00 0.31 C ATOM 914 O ILE A 56 -6.966 3.847 5.933 1.00 0.53 O ATOM 915 CB ILE A 56 -4.332 2.987 6.127 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.068 2.258 6.585 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.998 4.020 5.060 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.261 1.663 5.453 1.00 0.69 C ATOM 0 H ILE A 56 -5.409 1.734 8.072 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.357 4.419 7.738 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.016 2.258 5.693 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.439 2.954 7.140 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.349 1.463 7.275 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.512 3.529 4.217 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.915 4.501 4.720 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.328 4.771 5.478 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.381 1.163 5.857 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.872 0.941 4.911 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.948 2.456 4.773 1.00 0.69 H new ATOM 930 N LEU A 57 -6.689 5.404 7.535 1.00 0.44 N ATOM 931 CA LEU A 57 -7.911 6.127 7.202 1.00 0.45 C ATOM 932 C LEU A 57 -7.751 6.929 5.914 1.00 0.42 C ATOM 933 O LEU A 57 -8.630 6.912 5.052 1.00 0.60 O ATOM 934 CB LEU A 57 -8.306 7.058 8.350 1.00 0.48 C ATOM 935 CG LEU A 57 -9.612 6.688 9.055 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.015 7.778 10.035 1.00 1.60 C ATOM 937 CD2 LEU A 57 -10.715 6.446 8.036 1.00 0.72 C ATOM 0 H LEU A 57 -6.161 5.805 8.311 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.700 5.391 7.047 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.502 7.066 9.086 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.394 8.073 7.962 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.455 5.766 9.615 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -10.946 7.498 10.528 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -9.232 7.902 10.783 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -10.156 8.716 9.498 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -11.638 6.184 8.554 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -10.873 7.351 7.449 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -10.426 5.630 7.374 1.00 0.72 H new ATOM 949 N GLU A 58 -6.630 7.630 5.785 1.00 0.39 N ATOM 950 CA GLU A 58 -6.371 8.427 4.601 1.00 0.43 C ATOM 951 C GLU A 58 -5.638 7.595 3.566 1.00 0.51 C ATOM 952 O GLU A 58 -4.878 6.690 3.909 1.00 1.09 O ATOM 953 CB GLU A 58 -5.542 9.663 4.960 1.00 0.44 C ATOM 954 CG GLU A 58 -4.150 9.331 5.475 1.00 0.44 C ATOM 955 CD GLU A 58 -3.649 10.333 6.497 1.00 0.75 C ATOM 956 OE1 GLU A 58 -4.187 11.460 6.538 1.00 1.54 O ATOM 957 OE2 GLU A 58 -2.719 9.990 7.257 1.00 1.29 O ATOM 0 H GLU A 58 -5.890 7.660 6.486 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.324 8.754 4.186 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -5.453 10.299 4.079 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.073 10.240 5.717 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.160 8.337 5.922 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -3.455 9.296 4.636 1.00 0.44 H new ATOM 964 N ASN A 59 -5.865 7.903 2.299 1.00 0.31 N ATOM 965 CA ASN A 59 -5.212 7.174 1.226 1.00 0.28 C ATOM 966 C ASN A 59 -3.716 7.493 1.167 1.00 0.28 C ATOM 967 O ASN A 59 -2.975 6.866 0.413 1.00 0.49 O ATOM 968 CB ASN A 59 -5.878 7.469 -0.118 1.00 0.32 C ATOM 969 CG ASN A 59 -5.648 8.890 -0.599 1.00 0.86 C ATOM 970 OD1 ASN A 59 -4.642 9.519 -0.273 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.588 9.404 -1.383 1.00 0.91 N ATOM 0 H ASN A 59 -6.491 8.647 1.991 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.320 6.110 1.437 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.497 6.773 -0.866 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -6.950 7.290 -0.032 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.491 10.355 -1.739 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.407 8.848 -1.629 1.00 0.91 H new ATOM 978 N GLU A 60 -3.275 8.460 1.975 1.00 0.29 N ATOM 979 CA GLU A 60 -1.868 8.837 2.016 1.00 0.29 C ATOM 980 C GLU A 60 -1.226 8.210 3.239 1.00 0.27 C ATOM 981 O GLU A 60 -1.288 8.761 4.338 1.00 0.35 O ATOM 982 CB GLU A 60 -1.718 10.360 2.058 1.00 0.34 C ATOM 983 CG GLU A 60 -0.273 10.831 1.995 1.00 0.49 C ATOM 984 CD GLU A 60 0.226 10.996 0.573 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.104 10.140 -0.274 1.00 1.91 O ATOM 986 OE2 GLU A 60 0.948 11.980 0.307 1.00 2.05 O ATOM 0 H GLU A 60 -3.873 8.992 2.607 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.371 8.476 1.115 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.270 10.794 1.224 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.175 10.737 2.973 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.182 11.782 2.521 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.361 10.115 2.518 1.00 0.49 H new ATOM 993 N PHE A 61 -0.633 7.042 3.048 1.00 0.24 N ATOM 994 CA PHE A 61 -0.010 6.325 4.145 1.00 0.24 C ATOM 995 C PHE A 61 1.482 6.132 3.919 1.00 0.24 C ATOM 996 O PHE A 61 1.985 6.296 2.808 1.00 0.25 O ATOM 997 CB PHE A 61 -0.695 4.970 4.310 1.00 0.28 C ATOM 998 CG PHE A 61 -0.034 4.071 5.309 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.366 4.142 6.652 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.922 3.152 4.906 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.244 3.314 7.573 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.531 2.325 5.819 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.194 2.403 7.156 1.00 0.48 C ATOM 0 H PHE A 61 -0.571 6.573 2.145 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.127 6.917 5.052 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.730 5.132 4.611 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.719 4.467 3.344 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -1.110 4.852 6.982 1.00 0.41 H new ATOM 0 HD2 PHE A 61 1.191 3.085 3.862 1.00 0.37 H new ATOM 0 HE1 PHE A 61 -0.021 3.379 8.618 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.274 1.613 5.491 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.672 1.753 7.874 1.00 0.48 H new ATOM 1013 N THR A 62 2.182 5.776 4.990 1.00 0.25 N ATOM 1014 CA THR A 62 3.613 5.551 4.926 1.00 0.27 C ATOM 1015 C THR A 62 3.952 4.141 5.377 1.00 0.29 C ATOM 1016 O THR A 62 3.669 3.754 6.511 1.00 0.35 O ATOM 1017 CB THR A 62 4.359 6.578 5.780 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.143 7.890 5.289 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.855 6.347 5.829 1.00 0.37 C ATOM 0 H THR A 62 1.775 5.638 5.915 1.00 0.25 H new ATOM 0 HA THR A 62 3.931 5.668 3.890 1.00 0.27 H new ATOM 0 HB THR A 62 3.958 6.461 6.787 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.831 8.109 4.627 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.321 7.111 6.451 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.058 5.362 6.250 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.265 6.401 4.820 1.00 0.37 H new ATOM 1027 N VAL A 63 4.555 3.375 4.479 1.00 0.31 N ATOM 1028 CA VAL A 63 4.924 2.005 4.780 1.00 0.36 C ATOM 1029 C VAL A 63 6.222 1.932 5.567 1.00 0.38 C ATOM 1030 O VAL A 63 7.252 2.463 5.150 1.00 0.50 O ATOM 1031 CB VAL A 63 5.062 1.171 3.498 1.00 0.44 C ATOM 1032 CG1 VAL A 63 5.404 -0.268 3.840 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.779 1.241 2.684 1.00 0.58 C ATOM 0 H VAL A 63 4.798 3.682 3.537 1.00 0.31 H new ATOM 0 HA VAL A 63 4.121 1.593 5.391 1.00 0.36 H new ATOM 0 HB VAL A 63 5.873 1.582 2.897 1.00 0.44 H new ATOM 0 HG11 VAL A 63 5.499 -0.848 2.922 1.00 1.08 H new ATOM 0 HG12 VAL A 63 6.346 -0.298 4.387 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.613 -0.693 4.457 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.890 0.646 1.778 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.951 0.850 3.276 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.575 2.277 2.414 1.00 0.58 H new ATOM 1043 N SER A 64 6.164 1.257 6.708 1.00 0.49 N ATOM 1044 CA SER A 64 7.329 1.095 7.558 1.00 0.55 C ATOM 1045 C SER A 64 7.664 -0.379 7.730 1.00 0.63 C ATOM 1046 O SER A 64 6.844 -1.255 7.450 1.00 0.99 O ATOM 1047 CB SER A 64 7.099 1.738 8.922 1.00 0.63 C ATOM 1048 OG SER A 64 8.319 1.878 9.632 1.00 1.33 O ATOM 0 H SER A 64 5.318 0.813 7.064 1.00 0.49 H new ATOM 0 HA SER A 64 8.169 1.594 7.075 1.00 0.55 H new ATOM 0 HB2 SER A 64 6.635 2.716 8.793 1.00 0.63 H new ATOM 0 HB3 SER A 64 6.405 1.130 9.502 1.00 0.63 H new ATOM 0 HG SER A 64 8.145 2.294 10.502 1.00 1.33 H new ATOM 1054 N GLY A 65 8.876 -0.639 8.185 1.00 0.71 N ATOM 1055 CA GLY A 65 9.317 -2.004 8.383 1.00 0.78 C ATOM 1056 C GLY A 65 10.221 -2.481 7.262 1.00 0.72 C ATOM 1057 O GLY A 65 10.892 -3.505 7.389 1.00 0.90 O ATOM 0 H GLY A 65 9.567 0.073 8.422 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.847 -2.079 9.332 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.448 -2.659 8.451 1.00 0.78 H new ATOM 1061 N LEU A 66 10.241 -1.736 6.160 1.00 0.64 N ATOM 1062 CA LEU A 66 11.068 -2.085 5.021 1.00 0.65 C ATOM 1063 C LEU A 66 12.513 -2.288 5.459 1.00 0.59 C ATOM 1064 O LEU A 66 12.828 -2.215 6.647 1.00 0.65 O ATOM 1065 CB LEU A 66 10.987 -0.986 3.958 1.00 0.74 C ATOM 1066 CG LEU A 66 9.679 -0.936 3.155 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.474 -1.203 4.043 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.537 0.409 2.456 1.00 0.89 C ATOM 0 H LEU A 66 9.691 -0.886 6.037 1.00 0.64 H new ATOM 0 HA LEU A 66 10.700 -3.018 4.593 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.130 -0.022 4.446 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.815 -1.117 3.262 1.00 0.74 H new ATOM 0 HG LEU A 66 9.719 -1.722 2.401 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.564 -1.160 3.444 1.00 1.47 H new ATOM 0 HD12 LEU A 66 8.566 -2.191 4.494 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.427 -0.449 4.829 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.605 0.429 1.891 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.528 1.206 3.199 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.376 0.556 1.776 1.00 0.89 H new ATOM 1080 N THR A 67 13.389 -2.538 4.496 1.00 0.65 N ATOM 1081 CA THR A 67 14.800 -2.748 4.788 1.00 0.69 C ATOM 1082 C THR A 67 15.668 -2.152 3.689 1.00 0.72 C ATOM 1083 O THR A 67 15.243 -2.038 2.540 1.00 1.06 O ATOM 1084 CB THR A 67 15.099 -4.240 4.942 1.00 0.75 C ATOM 1085 OG1 THR A 67 14.371 -4.787 6.027 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.565 -4.532 5.177 1.00 0.99 C ATOM 0 H THR A 67 13.148 -2.600 3.507 1.00 0.65 H new ATOM 0 HA THR A 67 15.032 -2.246 5.727 1.00 0.69 H new ATOM 0 HB THR A 67 14.801 -4.696 3.998 1.00 0.75 H new ATOM 0 HG1 THR A 67 14.574 -5.742 6.109 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.710 -5.608 5.278 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.149 -4.165 4.333 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.893 -4.035 6.090 1.00 0.99 H new ATOM 1094 N GLU A 68 16.886 -1.768 4.050 1.00 0.66 N ATOM 1095 CA GLU A 68 17.811 -1.179 3.092 1.00 0.67 C ATOM 1096 C GLU A 68 18.279 -2.213 2.069 1.00 0.60 C ATOM 1097 O GLU A 68 18.335 -3.408 2.359 1.00 0.69 O ATOM 1098 CB GLU A 68 19.015 -0.580 3.819 1.00 0.76 C ATOM 1099 CG GLU A 68 19.437 0.777 3.282 1.00 0.96 C ATOM 1100 CD GLU A 68 20.603 0.682 2.317 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.866 -0.430 1.812 1.00 1.91 O ATOM 1102 OE2 GLU A 68 21.250 1.720 2.065 1.00 1.89 O ATOM 0 H GLU A 68 17.255 -1.854 4.997 1.00 0.66 H new ATOM 0 HA GLU A 68 17.284 -0.387 2.559 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.778 -0.484 4.879 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.856 -1.270 3.741 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.590 1.245 2.779 1.00 0.96 H new ATOM 0 HG3 GLU A 68 19.711 1.425 4.115 1.00 0.96 H new ATOM 1109 N ASP A 69 18.617 -1.743 0.871 1.00 0.52 N ATOM 1110 CA ASP A 69 19.083 -2.620 -0.199 1.00 0.49 C ATOM 1111 C ASP A 69 18.081 -3.740 -0.469 1.00 0.44 C ATOM 1112 O ASP A 69 18.444 -4.917 -0.496 1.00 0.54 O ATOM 1113 CB ASP A 69 20.448 -3.212 0.159 1.00 0.59 C ATOM 1114 CG ASP A 69 21.451 -3.082 -0.970 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.474 -2.018 -1.626 1.00 1.66 O ATOM 1116 OD2 ASP A 69 22.215 -4.044 -1.200 1.00 1.87 O ATOM 0 H ASP A 69 18.577 -0.756 0.617 1.00 0.52 H new ATOM 0 HA ASP A 69 19.179 -2.023 -1.106 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.837 -2.711 1.045 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.328 -4.265 0.415 1.00 0.59 H new ATOM 1121 N ALA A 70 16.821 -3.367 -0.672 1.00 0.40 N ATOM 1122 CA ALA A 70 15.769 -4.339 -0.943 1.00 0.40 C ATOM 1123 C ALA A 70 14.558 -3.679 -1.591 1.00 0.35 C ATOM 1124 O ALA A 70 13.968 -2.756 -1.027 1.00 0.36 O ATOM 1125 CB ALA A 70 15.355 -5.034 0.343 1.00 0.49 C ATOM 0 H ALA A 70 16.504 -2.398 -0.654 1.00 0.40 H new ATOM 0 HA ALA A 70 16.166 -5.077 -1.640 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.569 -5.758 0.129 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.215 -5.549 0.772 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.984 -4.295 1.053 1.00 0.49 H new ATOM 1131 N ALA A 71 14.183 -4.162 -2.770 1.00 0.33 N ATOM 1132 CA ALA A 71 13.033 -3.617 -3.479 1.00 0.30 C ATOM 1133 C ALA A 71 11.744 -4.002 -2.770 1.00 0.27 C ATOM 1134 O ALA A 71 11.569 -5.149 -2.358 1.00 0.36 O ATOM 1135 CB ALA A 71 13.019 -4.092 -4.924 1.00 0.34 C ATOM 0 H ALA A 71 14.656 -4.926 -3.253 1.00 0.33 H new ATOM 0 HA ALA A 71 13.111 -2.530 -3.482 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.152 -3.674 -5.436 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.930 -3.763 -5.424 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.965 -5.180 -4.949 1.00 0.34 H new ATOM 1141 N TYR A 72 10.852 -3.034 -2.611 1.00 0.24 N ATOM 1142 CA TYR A 72 9.592 -3.278 -1.925 1.00 0.24 C ATOM 1143 C TYR A 72 8.383 -2.822 -2.732 1.00 0.21 C ATOM 1144 O TYR A 72 8.237 -1.637 -3.034 1.00 0.23 O ATOM 1145 CB TYR A 72 9.596 -2.542 -0.595 1.00 0.30 C ATOM 1146 CG TYR A 72 10.144 -3.349 0.549 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.326 -4.187 1.292 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.489 -3.273 0.875 1.00 0.36 C ATOM 1149 CE1 TYR A 72 9.842 -4.929 2.339 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.015 -4.008 1.911 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.128 -4.837 2.674 1.00 0.46 C ATOM 1152 OH TYR A 72 11.706 -5.575 3.685 1.00 0.56 O ATOM 0 H TYR A 72 10.977 -2.078 -2.945 1.00 0.24 H new ATOM 0 HA TYR A 72 9.507 -4.355 -1.782 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.185 -1.630 -0.698 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.577 -2.238 -0.356 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.276 -4.261 1.051 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.136 -2.624 0.304 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.193 -5.592 2.892 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.069 -3.962 2.144 1.00 0.42 H new ATOM 0 HH TYR A 72 12.657 -5.347 3.754 1.00 0.56 H new ATOM 1162 N GLU A 73 7.500 -3.764 -3.048 1.00 0.21 N ATOM 1163 CA GLU A 73 6.284 -3.448 -3.793 1.00 0.21 C ATOM 1164 C GLU A 73 5.086 -3.502 -2.848 1.00 0.23 C ATOM 1165 O GLU A 73 4.994 -4.413 -2.024 1.00 0.32 O ATOM 1166 CB GLU A 73 6.099 -4.431 -4.952 1.00 0.25 C ATOM 1167 CG GLU A 73 5.905 -3.755 -6.300 1.00 0.65 C ATOM 1168 CD GLU A 73 6.391 -4.609 -7.455 1.00 0.68 C ATOM 1169 OE1 GLU A 73 6.068 -5.816 -7.478 1.00 1.50 O ATOM 1170 OE2 GLU A 73 7.095 -4.072 -8.335 1.00 1.32 O ATOM 0 H GLU A 73 7.602 -4.749 -2.802 1.00 0.21 H new ATOM 0 HA GLU A 73 6.366 -2.445 -4.211 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.970 -5.085 -5.005 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.237 -5.065 -4.745 1.00 0.25 H new ATOM 0 HG2 GLU A 73 4.848 -3.528 -6.440 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.438 -2.804 -6.306 1.00 0.65 H new ATOM 1177 N PHE A 74 4.171 -2.531 -2.937 1.00 0.22 N ATOM 1178 CA PHE A 74 3.006 -2.547 -2.019 1.00 0.28 C ATOM 1179 C PHE A 74 1.662 -2.295 -2.700 1.00 0.25 C ATOM 1180 O PHE A 74 1.424 -1.229 -3.261 1.00 0.30 O ATOM 1181 CB PHE A 74 3.150 -1.526 -0.879 1.00 0.39 C ATOM 1182 CG PHE A 74 4.522 -0.966 -0.697 1.00 0.36 C ATOM 1183 CD1 PHE A 74 4.935 0.151 -1.405 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.404 -1.569 0.179 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.209 0.655 -1.236 1.00 0.60 C ATOM 1186 CE2 PHE A 74 6.674 -1.071 0.353 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.056 0.105 -0.361 1.00 0.53 C ATOM 0 H PHE A 74 4.200 -1.755 -3.598 1.00 0.22 H new ATOM 0 HA PHE A 74 3.007 -3.564 -1.628 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.460 -0.702 -1.061 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.842 -2.000 0.053 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.256 0.631 -2.094 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.092 -2.442 0.734 1.00 0.42 H new ATOM 0 HE1 PHE A 74 6.526 1.507 -1.820 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.370 -1.561 1.018 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.026 0.549 -0.194 1.00 0.53 H new ATOM 1197 N ARG A 75 0.767 -3.271 -2.602 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.574 -3.144 -3.174 1.00 0.34 C ATOM 1199 C ARG A 75 -1.552 -2.682 -2.104 1.00 0.31 C ATOM 1200 O ARG A 75 -1.261 -2.768 -0.911 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.058 -4.465 -3.784 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.411 -5.704 -3.189 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.288 -6.931 -3.363 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.870 -7.749 -4.498 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.209 -7.499 -5.761 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -1.974 -6.457 -6.057 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.780 -8.294 -6.732 1.00 1.87 N ATOM 0 H ARG A 75 0.943 -4.160 -2.133 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.526 -2.404 -3.973 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.138 -4.536 -3.656 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.865 -4.448 -4.857 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.554 -5.876 -3.665 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.219 -5.541 -2.129 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.256 -7.531 -2.453 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.323 -6.619 -3.503 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.282 -8.562 -4.312 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.306 -5.841 -5.315 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.230 -6.271 -7.027 1.00 2.11 H new ATOM 0 HH21 ARG A 75 -0.191 -9.097 -6.511 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -1.040 -8.103 -7.700 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.710 -2.189 -2.529 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.711 -1.714 -1.582 1.00 0.39 C ATOM 1223 C VAL A 76 -4.975 -2.572 -1.599 1.00 0.31 C ATOM 1224 O VAL A 76 -5.569 -2.814 -2.651 1.00 0.43 O ATOM 1225 CB VAL A 76 -4.100 -0.244 -1.848 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -5.144 0.227 -0.845 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.876 0.658 -1.802 1.00 0.54 C ATOM 0 H VAL A 76 -2.977 -2.108 -3.510 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.248 -1.790 -0.598 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.530 -0.186 -2.848 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.404 1.265 -1.051 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -6.036 -0.394 -0.930 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.741 0.147 0.165 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -3.176 1.688 -1.992 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.412 0.591 -0.818 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -2.162 0.342 -2.562 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.376 -3.006 -0.408 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.564 -3.811 -0.213 1.00 0.31 C ATOM 1239 C ILE A 77 -7.373 -3.174 0.917 1.00 0.30 C ATOM 1240 O ILE A 77 -6.797 -2.682 1.887 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.188 -5.271 0.139 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.708 -6.010 -1.108 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.358 -6.008 0.769 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.286 -7.438 -0.840 1.00 0.42 C ATOM 0 H ILE A 77 -4.874 -2.803 0.456 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.153 -3.843 -1.130 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.379 -5.241 0.868 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.506 -6.009 -1.851 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.868 -5.467 -1.542 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.060 -7.030 1.004 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.659 -5.498 1.684 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.195 -6.025 0.071 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.957 -7.901 -1.770 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.467 -7.446 -0.121 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -6.130 -7.997 -0.435 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.694 -3.162 0.800 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.510 -2.549 1.845 1.00 0.30 C ATOM 1258 C ALA A 78 -10.934 -3.078 1.865 1.00 0.34 C ATOM 1259 O ALA A 78 -11.626 -3.062 0.855 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.529 -1.039 1.664 1.00 0.39 C ATOM 0 H ALA A 78 -9.214 -3.557 0.016 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.055 -2.811 2.800 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -10.139 -0.586 2.446 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.512 -0.652 1.728 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.950 -0.795 0.689 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.379 -3.530 3.027 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.733 -4.038 3.155 1.00 0.43 C ATOM 1268 C LYS A 79 -13.724 -2.883 3.181 1.00 0.59 C ATOM 1269 O LYS A 79 -13.427 -1.794 2.690 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.877 -4.893 4.409 1.00 0.56 C ATOM 1271 CG LYS A 79 -11.745 -5.888 4.601 1.00 1.07 C ATOM 1272 CD LYS A 79 -11.331 -5.979 6.059 1.00 1.50 C ATOM 1273 CE LYS A 79 -11.501 -7.391 6.596 1.00 1.71 C ATOM 1274 NZ LYS A 79 -10.328 -7.824 7.400 1.00 1.98 N ATOM 0 H LYS A 79 -10.828 -3.555 3.885 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.948 -4.668 2.292 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.927 -4.240 5.280 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.822 -5.435 4.363 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -12.058 -6.871 4.248 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -10.889 -5.589 3.996 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -10.291 -5.671 6.163 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -11.929 -5.288 6.653 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -12.400 -7.440 7.210 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.645 -8.081 5.764 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -10.484 -8.792 7.748 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -9.474 -7.802 6.807 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -10.205 -7.181 8.208 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.902 -3.115 3.747 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.914 -2.075 3.812 1.00 0.70 C ATOM 1290 C ASN A 80 -16.938 -2.360 4.901 1.00 0.87 C ATOM 1291 O ASN A 80 -17.052 -3.482 5.391 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.618 -1.950 2.461 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.149 -3.278 1.962 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -17.211 -4.255 2.708 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -17.534 -3.318 0.692 1.00 2.05 N ATOM 0 H ASN A 80 -15.176 -4.005 4.163 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.415 -1.137 4.055 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.442 -1.242 2.548 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -15.922 -1.541 1.728 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -17.900 -4.184 0.297 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -17.464 -2.482 0.111 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.677 -1.324 5.269 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.711 -1.410 6.296 1.00 0.82 C ATOM 1304 C ALA A 81 -19.499 -2.722 6.237 1.00 0.88 C ATOM 1305 O ALA A 81 -19.773 -3.333 7.269 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.662 -0.229 6.154 1.00 0.83 C ATOM 0 H ALA A 81 -17.578 -0.394 4.863 1.00 0.76 H new ATOM 0 HA ALA A 81 -18.212 -1.384 7.265 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.435 -0.291 6.920 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -19.107 0.701 6.273 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.125 -0.252 5.168 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.874 -3.143 5.030 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.645 -4.373 4.854 1.00 0.90 C ATOM 1314 C ALA A 82 -19.848 -5.610 5.243 1.00 0.88 C ATOM 1315 O ALA A 82 -20.419 -6.650 5.572 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.122 -4.492 3.415 1.00 0.94 C ATOM 0 H ALA A 82 -19.657 -2.653 4.162 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.506 -4.315 5.520 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.695 -5.412 3.296 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.752 -3.638 3.169 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.261 -4.512 2.747 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.529 -5.501 5.196 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.682 -6.625 5.535 1.00 0.86 C ATOM 1324 C GLY A 83 -17.009 -7.225 4.314 1.00 0.78 C ATOM 1325 O GLY A 83 -16.140 -8.088 4.443 1.00 0.93 O ATOM 0 H GLY A 83 -18.029 -4.653 4.929 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.921 -6.303 6.246 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -18.278 -7.390 6.032 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.407 -6.768 3.126 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.827 -7.264 1.884 1.00 0.78 C ATOM 1331 C ALA A 84 -15.318 -7.069 1.889 1.00 0.76 C ATOM 1332 O ALA A 84 -14.723 -6.827 2.939 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.449 -6.554 0.692 1.00 0.92 C ATOM 0 H ALA A 84 -18.127 -6.057 3.001 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.038 -8.330 1.803 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.007 -6.934 -0.229 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.524 -6.736 0.680 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.263 -5.483 0.769 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.694 -7.169 0.721 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.252 -6.995 0.629 1.00 0.40 C ATOM 1341 C ILE A 85 -12.823 -6.399 -0.708 1.00 0.38 C ATOM 1342 O ILE A 85 -12.902 -7.058 -1.745 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.498 -8.329 0.841 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -11.003 -8.062 1.026 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.726 -9.282 -0.330 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.537 -8.179 2.460 1.00 0.79 C ATOM 0 H ILE A 85 -15.159 -7.367 -0.165 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.990 -6.299 1.426 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.889 -8.803 1.741 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.439 -8.764 0.412 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.774 -7.062 0.659 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.184 -10.211 -0.154 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.791 -9.495 -0.424 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.366 -8.821 -1.250 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.467 -7.976 2.513 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -11.074 -7.458 3.077 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.734 -9.187 2.825 1.00 0.79 H new ATOM 1358 N SER A 86 -12.341 -5.161 -0.689 1.00 0.39 N ATOM 1359 CA SER A 86 -11.875 -4.546 -1.924 1.00 0.45 C ATOM 1360 C SER A 86 -10.582 -5.247 -2.317 1.00 0.44 C ATOM 1361 O SER A 86 -9.567 -5.111 -1.626 1.00 0.43 O ATOM 1362 CB SER A 86 -11.643 -3.043 -1.769 1.00 0.54 C ATOM 1363 OG SER A 86 -10.372 -2.775 -1.198 1.00 0.59 O ATOM 0 H SER A 86 -12.264 -4.578 0.144 1.00 0.39 H new ATOM 0 HA SER A 86 -12.636 -4.658 -2.696 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.716 -2.559 -2.743 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.424 -2.615 -1.141 1.00 0.54 H new ATOM 0 HG SER A 86 -9.970 -2.000 -1.643 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.600 -6.033 -3.409 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.426 -6.786 -3.856 1.00 0.61 C ATOM 1371 C PRO A 87 -8.176 -5.929 -4.036 1.00 0.54 C ATOM 1372 O PRO A 87 -8.227 -4.702 -3.946 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.873 -7.420 -5.180 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.114 -6.692 -5.568 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.760 -6.276 -4.281 1.00 0.59 C ATOM 0 HA PRO A 87 -9.123 -7.519 -3.108 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.103 -7.318 -5.944 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -10.064 -8.486 -5.060 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -10.882 -5.826 -6.188 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.777 -7.332 -6.150 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.371 -5.381 -4.404 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.411 -7.054 -3.883 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.027 -6.585 -4.281 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.734 -5.910 -4.460 1.00 0.56 C ATOM 1385 C PRO A 88 -5.776 -4.770 -5.469 1.00 0.48 C ATOM 1386 O PRO A 88 -6.485 -4.837 -6.473 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.826 -7.026 -4.975 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.409 -8.272 -4.411 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.895 -8.055 -4.391 1.00 0.72 C ATOM 0 HA PRO A 88 -5.403 -5.444 -3.532 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.810 -7.053 -6.065 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -3.797 -6.885 -4.645 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.148 -9.137 -5.021 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.028 -8.463 -3.408 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.368 -8.434 -5.297 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.364 -8.564 -3.549 1.00 0.72 H new ATOM 1397 N SER A 89 -4.998 -3.726 -5.196 1.00 0.43 N ATOM 1398 CA SER A 89 -4.929 -2.574 -6.083 1.00 0.42 C ATOM 1399 C SER A 89 -3.484 -2.290 -6.489 1.00 0.35 C ATOM 1400 O SER A 89 -2.709 -1.727 -5.713 1.00 0.51 O ATOM 1401 CB SER A 89 -5.566 -1.349 -5.426 1.00 0.56 C ATOM 1402 OG SER A 89 -4.592 -0.423 -4.973 1.00 1.28 O ATOM 0 H SER A 89 -4.408 -3.656 -4.367 1.00 0.43 H new ATOM 0 HA SER A 89 -5.493 -2.803 -6.987 1.00 0.42 H new ATOM 0 HB2 SER A 89 -6.229 -0.859 -6.139 1.00 0.56 H new ATOM 0 HB3 SER A 89 -6.182 -1.668 -4.585 1.00 0.56 H new ATOM 0 HG SER A 89 -3.779 -0.905 -4.712 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.162 -2.700 -7.721 1.00 0.38 N ATOM 1409 CA GLU A 90 -1.830 -2.537 -8.342 1.00 0.37 C ATOM 1410 C GLU A 90 -0.730 -2.125 -7.354 1.00 0.34 C ATOM 1411 O GLU A 90 -0.712 -0.994 -6.884 1.00 0.44 O ATOM 1412 CB GLU A 90 -1.911 -1.500 -9.464 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.193 -2.101 -10.831 1.00 0.90 C ATOM 1414 CD GLU A 90 -0.941 -2.624 -11.509 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -0.071 -3.175 -10.805 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -0.833 -2.481 -12.745 1.00 1.76 O ATOM 0 H GLU A 90 -3.832 -3.166 -8.333 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.552 -3.517 -8.729 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.693 -0.779 -9.225 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -0.972 -0.949 -9.506 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -2.911 -2.914 -10.725 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -2.657 -1.347 -11.466 1.00 0.90 H new ATOM 1423 N PRO A 91 0.205 -3.035 -7.026 1.00 0.30 N ATOM 1424 CA PRO A 91 1.299 -2.739 -6.091 1.00 0.29 C ATOM 1425 C PRO A 91 2.135 -1.530 -6.504 1.00 0.31 C ATOM 1426 O PRO A 91 2.387 -1.309 -7.688 1.00 0.55 O ATOM 1427 CB PRO A 91 2.160 -4.000 -6.131 1.00 0.36 C ATOM 1428 CG PRO A 91 1.235 -5.078 -6.571 1.00 0.36 C ATOM 1429 CD PRO A 91 0.274 -4.420 -7.526 1.00 0.39 C ATOM 0 HA PRO A 91 0.911 -2.490 -5.103 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.994 -3.888 -6.824 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.586 -4.219 -5.152 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.779 -5.887 -7.058 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.708 -5.513 -5.722 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.635 -4.460 -8.554 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.703 -4.903 -7.512 1.00 0.39 H new ATOM 1437 N SER A 92 2.574 -0.766 -5.509 1.00 0.27 N ATOM 1438 CA SER A 92 3.396 0.406 -5.739 1.00 0.31 C ATOM 1439 C SER A 92 4.771 -0.041 -6.193 1.00 0.27 C ATOM 1440 O SER A 92 5.313 -1.017 -5.657 1.00 0.24 O ATOM 1441 CB SER A 92 3.504 1.256 -4.459 1.00 0.39 C ATOM 1442 OG SER A 92 4.849 1.403 -4.033 1.00 1.23 O ATOM 0 H SER A 92 2.368 -0.945 -4.526 1.00 0.27 H new ATOM 0 HA SER A 92 2.937 1.023 -6.511 1.00 0.31 H new ATOM 0 HB2 SER A 92 3.071 2.240 -4.639 1.00 0.39 H new ATOM 0 HB3 SER A 92 2.920 0.791 -3.664 1.00 0.39 H new ATOM 0 HG SER A 92 5.065 0.701 -3.385 1.00 1.23 H new ATOM 1448 N ASP A 93 5.322 0.681 -7.175 1.00 0.33 N ATOM 1449 CA ASP A 93 6.640 0.385 -7.733 1.00 0.36 C ATOM 1450 C ASP A 93 7.608 -0.087 -6.658 1.00 0.32 C ATOM 1451 O ASP A 93 7.694 0.500 -5.579 1.00 0.56 O ATOM 1452 CB ASP A 93 7.209 1.618 -8.436 1.00 0.45 C ATOM 1453 CG ASP A 93 6.211 2.260 -9.380 1.00 0.89 C ATOM 1454 OD1 ASP A 93 5.886 1.638 -10.414 1.00 1.63 O ATOM 1455 OD2 ASP A 93 5.752 3.384 -9.085 1.00 1.55 O ATOM 0 H ASP A 93 4.865 1.486 -7.603 1.00 0.33 H new ATOM 0 HA ASP A 93 6.517 -0.420 -8.457 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.519 2.348 -7.688 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.102 1.335 -8.994 1.00 0.45 H new ATOM 1460 N ALA A 94 8.325 -1.154 -6.959 1.00 0.33 N ATOM 1461 CA ALA A 94 9.278 -1.711 -6.021 1.00 0.28 C ATOM 1462 C ALA A 94 10.405 -0.727 -5.733 1.00 0.29 C ATOM 1463 O ALA A 94 11.152 -0.343 -6.633 1.00 0.41 O ATOM 1464 CB ALA A 94 9.845 -3.010 -6.565 1.00 0.34 C ATOM 0 H ALA A 94 8.264 -1.652 -7.847 1.00 0.33 H new ATOM 0 HA ALA A 94 8.756 -1.911 -5.085 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.560 -3.421 -5.853 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.036 -3.724 -6.720 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.346 -2.819 -7.514 1.00 0.34 H new ATOM 1470 N ILE A 95 10.529 -0.326 -4.474 1.00 0.25 N ATOM 1471 CA ILE A 95 11.572 0.609 -4.076 1.00 0.28 C ATOM 1472 C ILE A 95 12.759 -0.132 -3.482 1.00 0.26 C ATOM 1473 O ILE A 95 12.666 -0.700 -2.394 1.00 0.25 O ATOM 1474 CB ILE A 95 11.059 1.635 -3.049 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.780 2.295 -3.558 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.127 2.682 -2.763 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.527 1.645 -3.024 1.00 0.44 C ATOM 0 H ILE A 95 9.922 -0.633 -3.714 1.00 0.25 H new ATOM 0 HA ILE A 95 11.880 1.141 -4.976 1.00 0.28 H new ATOM 0 HB ILE A 95 10.834 1.115 -2.118 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.784 3.348 -3.276 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.767 2.256 -4.647 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.748 3.399 -2.035 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.016 2.195 -2.363 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.383 3.202 -3.686 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.652 2.159 -3.422 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.502 0.598 -3.328 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.520 1.707 -1.936 1.00 0.44 H new ATOM 1489 N THR A 96 13.880 -0.124 -4.201 1.00 0.29 N ATOM 1490 CA THR A 96 15.088 -0.797 -3.736 1.00 0.32 C ATOM 1491 C THR A 96 15.399 -0.406 -2.299 1.00 0.32 C ATOM 1492 O THR A 96 16.037 -1.158 -1.566 1.00 0.38 O ATOM 1493 CB THR A 96 16.272 -0.455 -4.642 1.00 0.37 C ATOM 1494 OG1 THR A 96 15.940 -0.653 -6.004 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.509 -1.276 -4.348 1.00 0.43 C ATOM 0 H THR A 96 13.975 0.340 -5.104 1.00 0.29 H new ATOM 0 HA THR A 96 14.916 -1.873 -3.774 1.00 0.32 H new ATOM 0 HB THR A 96 16.493 0.593 -4.439 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.711 -0.427 -6.565 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.310 -0.983 -5.026 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.824 -1.104 -3.319 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.285 -2.334 -4.487 1.00 0.43 H new ATOM 1503 N CYS A 97 14.940 0.776 -1.897 1.00 0.32 N ATOM 1504 CA CYS A 97 15.166 1.260 -0.542 1.00 0.36 C ATOM 1505 C CYS A 97 16.634 1.121 -0.154 1.00 0.43 C ATOM 1506 O CYS A 97 17.016 0.168 0.519 1.00 0.64 O ATOM 1507 CB CYS A 97 14.291 0.482 0.443 1.00 0.38 C ATOM 1508 SG CYS A 97 12.523 0.832 0.301 1.00 1.10 S ATOM 0 H CYS A 97 14.410 1.414 -2.491 1.00 0.32 H new ATOM 0 HA CYS A 97 14.899 2.316 -0.506 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.452 -0.585 0.290 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.615 0.711 1.458 1.00 0.38 H new ATOM 0 HG CYS A 97 12.025 0.155 -0.691 1.00 1.10 H new ATOM 1514 N ARG A 98 17.452 2.073 -0.582 1.00 0.53 N ATOM 1515 CA ARG A 98 18.877 2.045 -0.273 1.00 0.63 C ATOM 1516 C ARG A 98 19.319 3.369 0.338 1.00 0.80 C ATOM 1517 O ARG A 98 19.351 3.521 1.560 1.00 1.04 O ATOM 1518 CB ARG A 98 19.703 1.729 -1.527 1.00 0.68 C ATOM 1519 CG ARG A 98 19.050 2.174 -2.829 1.00 0.74 C ATOM 1520 CD ARG A 98 20.080 2.670 -3.829 1.00 0.92 C ATOM 1521 NE ARG A 98 20.712 1.574 -4.558 1.00 1.64 N ATOM 1522 CZ ARG A 98 21.627 1.752 -5.505 1.00 2.31 C ATOM 1523 NH1 ARG A 98 22.015 2.976 -5.834 1.00 3.00 N ATOM 1524 NH2 ARG A 98 22.156 0.706 -6.125 1.00 2.68 N ATOM 0 H ARG A 98 17.156 2.872 -1.142 1.00 0.53 H new ATOM 0 HA ARG A 98 19.050 1.253 0.456 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.677 2.210 -1.438 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.881 0.655 -1.571 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.494 1.342 -3.261 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.330 2.966 -2.624 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.601 3.346 -4.537 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.844 3.245 -3.306 1.00 0.92 H new ATOM 0 HE ARG A 98 20.436 0.619 -4.328 1.00 1.64 H new ATOM 0 HH11 ARG A 98 21.611 3.784 -5.360 1.00 3.00 H new ATOM 0 HH12 ARG A 98 22.718 3.110 -6.561 1.00 3.00 H new ATOM 0 HH21 ARG A 98 21.861 -0.238 -5.875 1.00 2.68 H new ATOM 0 HH22 ARG A 98 22.858 0.845 -6.852 1.00 2.68 H new ATOM 1538 N ASP A 99 19.649 4.321 -0.517 1.00 0.92 N ATOM 1539 CA ASP A 99 20.082 5.638 -0.067 1.00 1.20 C ATOM 1540 C ASP A 99 19.010 6.690 -0.350 1.00 1.03 C ATOM 1541 O ASP A 99 19.293 7.889 -0.359 1.00 1.20 O ATOM 1542 CB ASP A 99 21.389 6.030 -0.758 1.00 1.61 C ATOM 1543 CG ASP A 99 21.171 6.522 -2.175 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.190 6.083 -2.812 1.00 2.08 O ATOM 1545 OD2 ASP A 99 21.982 7.346 -2.649 1.00 2.14 O ATOM 0 H ASP A 99 19.626 4.209 -1.531 1.00 0.92 H new ATOM 0 HA ASP A 99 20.246 5.591 1.010 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.883 6.809 -0.178 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.060 5.171 -0.774 1.00 1.61 H new ATOM 1550 N ASP A 100 17.778 6.234 -0.588 1.00 0.85 N ATOM 1551 CA ASP A 100 16.662 7.130 -0.875 1.00 0.92 C ATOM 1552 C ASP A 100 17.046 8.175 -1.918 1.00 1.22 C ATOM 1553 O ASP A 100 16.481 9.268 -1.960 1.00 1.38 O ATOM 1554 CB ASP A 100 16.181 7.811 0.406 1.00 0.87 C ATOM 1555 CG ASP A 100 17.157 8.852 0.916 1.00 1.32 C ATOM 1556 OD1 ASP A 100 18.067 8.485 1.689 1.00 2.06 O ATOM 1557 OD2 ASP A 100 17.011 10.035 0.544 1.00 2.03 O ATOM 0 H ASP A 100 17.530 5.245 -0.587 1.00 0.85 H new ATOM 0 HA ASP A 100 15.848 6.530 -1.282 1.00 0.92 H new ATOM 0 HB2 ASP A 100 15.216 8.283 0.221 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.025 7.057 1.177 1.00 0.87 H new ATOM 1562 N VAL A 101 18.008 7.824 -2.759 1.00 1.43 N ATOM 1563 CA VAL A 101 18.475 8.717 -3.809 1.00 1.90 C ATOM 1564 C VAL A 101 18.269 8.096 -5.191 1.00 2.23 C ATOM 1565 O VAL A 101 18.254 8.802 -6.200 1.00 2.80 O ATOM 1566 CB VAL A 101 19.964 9.065 -3.627 1.00 2.20 C ATOM 1567 CG1 VAL A 101 20.440 9.990 -4.737 1.00 2.67 C ATOM 1568 CG2 VAL A 101 20.198 9.692 -2.260 1.00 2.22 C ATOM 0 H VAL A 101 18.483 6.922 -2.734 1.00 1.43 H new ATOM 0 HA VAL A 101 17.886 9.631 -3.735 1.00 1.90 H new ATOM 0 HB VAL A 101 20.544 8.144 -3.685 1.00 2.20 H new ATOM 0 HG11 VAL A 101 21.494 10.223 -4.589 1.00 2.67 H new ATOM 0 HG12 VAL A 101 20.309 9.499 -5.701 1.00 2.67 H new ATOM 0 HG13 VAL A 101 19.858 10.912 -4.717 1.00 2.67 H new ATOM 0 HG21 VAL A 101 21.255 9.932 -2.146 1.00 2.22 H new ATOM 0 HG22 VAL A 101 19.607 10.604 -2.172 1.00 2.22 H new ATOM 0 HG23 VAL A 101 19.900 8.990 -1.482 1.00 2.22 H new ATOM 1578 N GLU A 102 18.104 6.773 -5.232 1.00 1.99 N ATOM 1579 CA GLU A 102 17.892 6.062 -6.488 1.00 2.40 C ATOM 1580 C GLU A 102 18.847 6.545 -7.575 1.00 2.00 C ATOM 1581 O GLU A 102 18.491 7.378 -8.409 1.00 2.49 O ATOM 1582 CB GLU A 102 16.450 6.242 -6.940 1.00 3.22 C ATOM 1583 CG GLU A 102 15.513 5.178 -6.396 1.00 3.87 C ATOM 1584 CD GLU A 102 15.819 3.798 -6.943 1.00 4.18 C ATOM 1585 OE1 GLU A 102 15.665 3.598 -8.166 1.00 4.58 O ATOM 1586 OE2 GLU A 102 16.212 2.919 -6.148 1.00 4.47 O ATOM 0 H GLU A 102 18.114 6.174 -4.407 1.00 1.99 H new ATOM 0 HA GLU A 102 18.094 5.005 -6.318 1.00 2.40 H new ATOM 0 HB2 GLU A 102 16.097 7.223 -6.623 1.00 3.22 H new ATOM 0 HB3 GLU A 102 16.413 6.226 -8.029 1.00 3.22 H new ATOM 0 HG2 GLU A 102 15.584 5.158 -5.309 1.00 3.87 H new ATOM 0 HG3 GLU A 102 14.485 5.443 -6.643 1.00 3.87 H new ATOM 1593 N ALA A 103 20.060 6.013 -7.554 1.00 1.84 N ATOM 1594 CA ALA A 103 21.076 6.379 -8.531 1.00 2.56 C ATOM 1595 C ALA A 103 21.301 5.253 -9.534 1.00 3.21 C ATOM 1596 O ALA A 103 20.342 4.906 -10.256 1.00 3.72 O ATOM 1597 CB ALA A 103 22.376 6.730 -7.825 1.00 3.26 C ATOM 1598 OXT ALA A 103 22.433 4.727 -9.591 1.00 3.79 O ATOM 0 H ALA A 103 20.366 5.323 -6.868 1.00 1.84 H new ATOM 0 HA ALA A 103 20.725 7.253 -9.080 1.00 2.56 H new ATOM 0 HB1 ALA A 103 23.129 7.002 -8.564 1.00 3.26 H new ATOM 0 HB2 ALA A 103 22.209 7.570 -7.151 1.00 3.26 H new ATOM 0 HB3 ALA A 103 22.723 5.870 -7.253 1.00 3.26 H new TER 1604 ALA A 103