USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 869 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 HIS : no HE2:sc= -2.28! C(o=-2.3!,f=-4.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -46:sc= 0.0724 USER MOD Single : A 16 ASN : amide:sc= -3.1 X(o=-3.1,f=-3.2!) USER MOD Single : A 24 HIS : no HD1:sc= -0.488 K(o=-0.49,f=-1.7) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot -69:sc= 0.907 USER MOD Single : A 38 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.17) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 81:sc= -6.63! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= -0.0357 (180deg=-0.21) USER MOD Single : A 68 THR OG1 : rot 134:sc= -2.25 USER MOD Single : A 71 SER OG : rot -103:sc= 1.35 USER MOD Single : A 75 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.52) USER MOD Single : A 76 GLN : amide:sc= -0.381 K(o=-0.38,f=-2.7!) USER MOD Single : A 77 TYR OH : rot -81:sc= 1.12 USER MOD Single : A 82 TYR OH : rot 38:sc= -2.8! USER MOD Single : A 84 THR OG1 : rot -10:sc= -0.455 USER MOD Single : A 86 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0548) USER MOD Single : A 90 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.5!) USER MOD Single : A 93 THR OG1 : rot 27:sc= -0.0402 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 153:sc= -1.4 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.472 USER MOD Single : A 110 ASN : amide:sc=-0.00438 K(o=-0.0044,f=-1) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -6.314 2.293 12.547 1.00 1.37 N ATOM 40 CA GLU A 4 -4.921 2.632 12.969 1.00 1.14 C ATOM 41 C GLU A 4 -3.935 1.601 12.416 1.00 0.89 C ATOM 42 O GLU A 4 -4.321 0.569 11.903 1.00 1.30 O ATOM 43 CB GLU A 4 -4.940 2.589 14.499 1.00 1.67 C ATOM 44 CG GLU A 4 -4.391 3.904 15.055 1.00 2.39 C ATOM 45 CD GLU A 4 -5.045 4.200 16.406 1.00 2.65 C ATOM 46 OE1 GLU A 4 -5.187 3.276 17.188 1.00 3.09 O ATOM 47 OE2 GLU A 4 -5.393 5.347 16.635 1.00 3.05 O ATOM 0 HA GLU A 4 -4.606 3.607 12.596 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -5.957 2.428 14.856 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -4.340 1.752 14.857 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -3.309 3.839 15.169 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -4.590 4.717 14.357 1.00 2.39 H new ATOM 54 N GLU A 5 -2.663 1.874 12.511 1.00 1.00 N ATOM 55 CA GLU A 5 -1.650 0.915 11.986 1.00 0.81 C ATOM 56 C GLU A 5 -1.358 -0.176 13.019 1.00 0.87 C ATOM 57 O GLU A 5 -1.511 0.021 14.208 1.00 1.15 O ATOM 58 CB GLU A 5 -0.401 1.760 11.735 1.00 0.95 C ATOM 59 CG GLU A 5 0.078 2.368 13.056 1.00 1.46 C ATOM 60 CD GLU A 5 0.436 1.247 14.035 1.00 1.82 C ATOM 61 OE1 GLU A 5 -0.353 0.325 14.163 1.00 2.50 O ATOM 62 OE2 GLU A 5 1.493 1.329 14.639 1.00 2.19 O ATOM 0 H GLU A 5 -2.280 2.721 12.930 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.993 0.409 11.083 1.00 0.81 H new ATOM 0 HB2 GLU A 5 0.386 1.144 11.299 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -0.622 2.550 11.017 1.00 0.95 H new ATOM 0 HG2 GLU A 5 0.946 3.004 12.882 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -0.701 3.001 13.481 1.00 1.46 H new ATOM 69 N GLU A 6 -0.936 -1.327 12.571 1.00 0.79 N ATOM 70 CA GLU A 6 -0.630 -2.434 13.526 1.00 1.04 C ATOM 71 C GLU A 6 0.861 -2.788 13.466 1.00 1.10 C ATOM 72 O GLU A 6 1.647 -2.337 14.276 1.00 1.76 O ATOM 73 CB GLU A 6 -1.485 -3.610 13.053 1.00 1.28 C ATOM 74 CG GLU A 6 -2.792 -3.643 13.849 1.00 1.68 C ATOM 75 CD GLU A 6 -2.907 -4.978 14.587 1.00 1.97 C ATOM 76 OE1 GLU A 6 -2.576 -5.991 13.993 1.00 2.63 O ATOM 77 OE2 GLU A 6 -3.322 -4.964 15.734 1.00 2.24 O ATOM 0 H GLU A 6 -0.790 -1.550 11.587 1.00 0.79 H new ATOM 0 HA GLU A 6 -0.848 -2.163 14.559 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -1.697 -3.514 11.988 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -0.942 -4.545 13.186 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -2.817 -2.818 14.561 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -3.642 -3.511 13.179 1.00 1.68 H new ATOM 84 N ASP A 7 1.257 -3.588 12.512 1.00 1.27 N ATOM 85 CA ASP A 7 2.699 -3.964 12.402 1.00 1.35 C ATOM 86 C ASP A 7 3.369 -3.144 11.298 1.00 1.28 C ATOM 87 O ASP A 7 3.516 -3.595 10.179 1.00 2.01 O ATOM 88 CB ASP A 7 2.693 -5.449 12.034 1.00 1.53 C ATOM 89 CG ASP A 7 2.755 -5.597 10.513 1.00 1.92 C ATOM 90 OD1 ASP A 7 1.725 -5.437 9.881 1.00 2.57 O ATOM 91 OD2 ASP A 7 3.832 -5.868 10.007 1.00 2.36 O ATOM 0 H ASP A 7 0.646 -3.997 11.805 1.00 1.27 H new ATOM 0 HA ASP A 7 3.250 -3.774 13.323 1.00 1.35 H new ATOM 0 HB2 ASP A 7 3.543 -5.952 12.494 1.00 1.53 H new ATOM 0 HB3 ASP A 7 1.793 -5.927 12.420 1.00 1.53 H new ATOM 96 N HIS A 8 3.768 -1.938 11.599 1.00 1.21 N ATOM 97 CA HIS A 8 4.416 -1.083 10.560 1.00 1.11 C ATOM 98 C HIS A 8 3.525 -1.009 9.318 1.00 0.81 C ATOM 99 O HIS A 8 3.980 -0.748 8.223 1.00 0.87 O ATOM 100 CB HIS A 8 5.742 -1.771 10.239 1.00 1.32 C ATOM 101 CG HIS A 8 6.846 -1.066 10.975 1.00 1.61 C ATOM 102 ND1 HIS A 8 6.901 -1.027 12.360 1.00 2.30 N ATOM 103 CD2 HIS A 8 7.933 -0.353 10.536 1.00 2.02 C ATOM 104 CE1 HIS A 8 7.988 -0.312 12.701 1.00 2.53 C ATOM 105 NE2 HIS A 8 8.653 0.123 11.628 1.00 2.33 N ATOM 0 H HIS A 8 3.674 -1.507 12.519 1.00 1.21 H new ATOM 0 HA HIS A 8 4.572 -0.060 10.902 1.00 1.11 H new ATOM 0 HB2 HIS A 8 5.703 -2.820 10.532 1.00 1.32 H new ATOM 0 HB3 HIS A 8 5.929 -1.747 9.165 1.00 1.32 H new ATOM 0 HD1 HIS A 8 6.238 -1.461 13.003 1.00 2.30 H new ATOM 0 HD2 HIS A 8 8.191 -0.186 9.501 1.00 2.02 H new ATOM 0 HE1 HIS A 8 8.287 -0.114 13.720 1.00 2.53 H new ATOM 113 N VAL A 9 2.251 -1.228 9.494 1.00 0.69 N ATOM 114 CA VAL A 9 1.305 -1.169 8.347 1.00 0.49 C ATOM 115 C VAL A 9 0.106 -0.305 8.747 1.00 0.41 C ATOM 116 O VAL A 9 -0.547 -0.564 9.739 1.00 0.54 O ATOM 117 CB VAL A 9 0.886 -2.624 8.114 1.00 0.68 C ATOM 118 CG1 VAL A 9 -0.257 -2.678 7.100 1.00 0.88 C ATOM 119 CG2 VAL A 9 2.081 -3.419 7.578 1.00 0.89 C ATOM 0 H VAL A 9 1.822 -1.447 10.393 1.00 0.69 H new ATOM 0 HA VAL A 9 1.736 -0.734 7.446 1.00 0.49 H new ATOM 0 HB VAL A 9 0.551 -3.057 9.057 1.00 0.68 H new ATOM 0 HG11 VAL A 9 -0.551 -3.715 6.938 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -1.109 -2.115 7.481 1.00 0.88 H new ATOM 0 HG13 VAL A 9 0.073 -2.243 6.157 1.00 0.88 H new ATOM 0 HG21 VAL A 9 1.784 -4.455 7.412 1.00 0.89 H new ATOM 0 HG22 VAL A 9 2.416 -2.982 6.637 1.00 0.89 H new ATOM 0 HG23 VAL A 9 2.894 -3.387 8.303 1.00 0.89 H new ATOM 129 N LEU A 10 -0.179 0.732 8.007 1.00 0.41 N ATOM 130 CA LEU A 10 -1.325 1.608 8.388 1.00 0.54 C ATOM 131 C LEU A 10 -2.506 1.429 7.434 1.00 0.42 C ATOM 132 O LEU A 10 -2.349 1.297 6.242 1.00 0.59 O ATOM 133 CB LEU A 10 -0.777 3.033 8.304 1.00 0.83 C ATOM 134 CG LEU A 10 -0.456 3.378 6.850 1.00 0.96 C ATOM 135 CD1 LEU A 10 -1.518 4.338 6.308 1.00 1.30 C ATOM 136 CD2 LEU A 10 0.917 4.042 6.781 1.00 1.49 C ATOM 0 H LEU A 10 0.325 1.009 7.165 1.00 0.41 H new ATOM 0 HA LEU A 10 -1.701 1.366 9.382 1.00 0.54 H new ATOM 0 HB2 LEU A 10 -1.507 3.738 8.702 1.00 0.83 H new ATOM 0 HB3 LEU A 10 0.120 3.124 8.916 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.451 2.468 6.250 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -1.290 4.585 5.271 1.00 1.30 H new ATOM 0 HD12 LEU A 10 -2.498 3.864 6.361 1.00 1.30 H new ATOM 0 HD13 LEU A 10 -1.523 5.250 6.905 1.00 1.30 H new ATOM 0 HD21 LEU A 10 1.150 4.290 5.745 1.00 1.49 H new ATOM 0 HD22 LEU A 10 0.911 4.953 7.379 1.00 1.49 H new ATOM 0 HD23 LEU A 10 1.672 3.358 7.169 1.00 1.49 H new ATOM 148 N VAL A 11 -3.694 1.442 7.955 1.00 0.54 N ATOM 149 CA VAL A 11 -4.891 1.293 7.079 1.00 0.46 C ATOM 150 C VAL A 11 -5.434 2.679 6.725 1.00 0.43 C ATOM 151 O VAL A 11 -5.342 3.606 7.505 1.00 0.54 O ATOM 152 CB VAL A 11 -5.909 0.508 7.909 1.00 0.61 C ATOM 153 CG1 VAL A 11 -7.095 0.119 7.023 1.00 1.04 C ATOM 154 CG2 VAL A 11 -5.259 -0.759 8.473 1.00 1.39 C ATOM 0 H VAL A 11 -3.893 1.549 8.950 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.665 0.780 6.144 1.00 0.46 H new ATOM 0 HB VAL A 11 -6.254 1.131 8.734 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -7.821 -0.440 7.612 1.00 1.04 H new ATOM 0 HG12 VAL A 11 -7.565 1.020 6.628 1.00 1.04 H new ATOM 0 HG13 VAL A 11 -6.745 -0.500 6.197 1.00 1.04 H new ATOM 0 HG21 VAL A 11 -5.991 -1.312 9.062 1.00 1.39 H new ATOM 0 HG22 VAL A 11 -4.908 -1.384 7.652 1.00 1.39 H new ATOM 0 HG23 VAL A 11 -4.416 -0.484 9.106 1.00 1.39 H new ATOM 164 N LEU A 12 -5.984 2.836 5.554 1.00 0.40 N ATOM 165 CA LEU A 12 -6.513 4.175 5.158 1.00 0.45 C ATOM 166 C LEU A 12 -8.042 4.159 5.091 1.00 0.44 C ATOM 167 O LEU A 12 -8.670 3.124 5.196 1.00 0.58 O ATOM 168 CB LEU A 12 -5.918 4.431 3.775 1.00 0.63 C ATOM 169 CG LEU A 12 -4.394 4.492 3.883 1.00 0.76 C ATOM 170 CD1 LEU A 12 -3.789 4.686 2.492 1.00 1.16 C ATOM 171 CD2 LEU A 12 -3.992 5.664 4.782 1.00 0.82 C ATOM 0 H LEU A 12 -6.091 2.101 4.855 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.245 4.951 5.876 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -6.214 3.639 3.087 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.303 5.366 3.369 1.00 0.63 H new ATOM 0 HG LEU A 12 -4.024 3.561 4.312 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -2.703 4.729 2.571 1.00 1.16 H new ATOM 0 HD12 LEU A 12 -4.074 3.851 1.852 1.00 1.16 H new ATOM 0 HD13 LEU A 12 -4.159 5.616 2.061 1.00 1.16 H new ATOM 0 HD21 LEU A 12 -2.906 5.708 4.859 1.00 0.82 H new ATOM 0 HD22 LEU A 12 -4.363 6.595 4.354 1.00 0.82 H new ATOM 0 HD23 LEU A 12 -4.421 5.525 5.774 1.00 0.82 H new ATOM 183 N ARG A 13 -8.645 5.304 4.905 1.00 0.47 N ATOM 184 CA ARG A 13 -10.134 5.354 4.820 1.00 0.55 C ATOM 185 C ARG A 13 -10.581 6.530 3.940 1.00 0.54 C ATOM 186 O ARG A 13 -9.886 6.929 3.027 1.00 0.73 O ATOM 187 CB ARG A 13 -10.628 5.489 6.274 1.00 0.69 C ATOM 188 CG ARG A 13 -10.399 6.903 6.822 1.00 1.19 C ATOM 189 CD ARG A 13 -11.694 7.422 7.451 1.00 1.28 C ATOM 190 NE ARG A 13 -11.259 8.484 8.404 1.00 1.86 N ATOM 191 CZ ARG A 13 -11.907 8.665 9.523 1.00 2.30 C ATOM 192 NH1 ARG A 13 -11.574 7.984 10.588 1.00 2.84 N ATOM 193 NH2 ARG A 13 -12.888 9.524 9.578 1.00 2.68 N ATOM 0 H ARG A 13 -8.173 6.203 4.809 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.554 4.462 4.355 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -11.690 5.248 6.321 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -10.109 4.766 6.903 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -9.601 6.892 7.564 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -10.080 7.568 6.020 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -12.368 7.823 6.694 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -12.230 6.625 7.966 1.00 1.28 H new ATOM 0 HE ARG A 13 -10.454 9.070 8.181 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -10.808 7.312 10.545 1.00 2.84 H new ATOM 0 HH12 ARG A 13 -12.080 8.125 11.462 1.00 2.84 H new ATOM 0 HH21 ARG A 13 -13.149 10.054 8.747 1.00 2.68 H new ATOM 0 HH22 ARG A 13 -13.394 9.665 10.452 1.00 2.68 H new ATOM 207 N LYS A 14 -11.738 7.076 4.192 1.00 0.58 N ATOM 208 CA LYS A 14 -12.227 8.211 3.350 1.00 0.63 C ATOM 209 C LYS A 14 -11.434 9.493 3.631 1.00 0.65 C ATOM 210 O LYS A 14 -11.052 10.206 2.723 1.00 0.83 O ATOM 211 CB LYS A 14 -13.691 8.393 3.750 1.00 0.74 C ATOM 212 CG LYS A 14 -14.580 8.236 2.515 1.00 1.26 C ATOM 213 CD LYS A 14 -14.888 9.617 1.931 1.00 1.92 C ATOM 214 CE LYS A 14 -16.094 10.220 2.658 1.00 2.26 C ATOM 215 NZ LYS A 14 -16.536 11.352 1.796 1.00 2.80 N ATOM 0 H LYS A 14 -12.367 6.789 4.942 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.107 8.004 2.287 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -13.967 7.658 4.506 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -13.838 9.377 4.194 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -14.080 7.617 1.770 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -15.506 7.727 2.782 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -14.022 10.270 2.037 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -15.096 9.535 0.864 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -16.889 9.484 2.782 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -15.822 10.566 3.655 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -17.360 11.816 2.228 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -15.761 12.039 1.702 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -16.795 10.992 0.856 1.00 2.80 H new ATOM 229 N SER A 15 -11.192 9.800 4.874 1.00 0.68 N ATOM 230 CA SER A 15 -10.433 11.046 5.201 1.00 0.88 C ATOM 231 C SER A 15 -9.016 10.713 5.678 1.00 0.81 C ATOM 232 O SER A 15 -8.333 11.540 6.250 1.00 1.05 O ATOM 233 CB SER A 15 -11.228 11.696 6.329 1.00 1.10 C ATOM 234 OG SER A 15 -10.875 13.068 6.430 1.00 1.68 O ATOM 0 H SER A 15 -11.485 9.246 5.679 1.00 0.68 H new ATOM 0 HA SER A 15 -10.325 11.697 4.334 1.00 0.88 H new ATOM 0 HB2 SER A 15 -12.297 11.598 6.138 1.00 1.10 H new ATOM 0 HB3 SER A 15 -11.025 11.187 7.271 1.00 1.10 H new ATOM 0 HG SER A 15 -9.900 13.158 6.400 1.00 1.68 H new ATOM 240 N ASN A 16 -8.573 9.509 5.457 1.00 0.65 N ATOM 241 CA ASN A 16 -7.206 9.117 5.905 1.00 0.68 C ATOM 242 C ASN A 16 -6.364 8.661 4.709 1.00 0.55 C ATOM 243 O ASN A 16 -5.152 8.612 4.776 1.00 0.56 O ATOM 244 CB ASN A 16 -7.445 7.962 6.878 1.00 0.87 C ATOM 245 CG ASN A 16 -6.117 7.331 7.300 1.00 0.91 C ATOM 246 OD1 ASN A 16 -5.064 7.900 7.097 1.00 1.74 O ATOM 247 ND2 ASN A 16 -6.133 6.164 7.887 1.00 0.98 N ATOM 0 H ASN A 16 -9.100 8.775 4.983 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.661 9.940 6.368 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -7.978 8.324 7.757 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -8.079 7.209 6.409 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -5.258 5.727 8.177 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -7.020 5.690 8.055 1.00 0.98 H new ATOM 254 N PHE A 17 -6.993 8.331 3.613 1.00 0.55 N ATOM 255 CA PHE A 17 -6.223 7.885 2.420 1.00 0.51 C ATOM 256 C PHE A 17 -5.344 9.024 1.906 1.00 0.46 C ATOM 257 O PHE A 17 -4.134 8.953 1.951 1.00 0.52 O ATOM 258 CB PHE A 17 -7.281 7.513 1.382 1.00 0.56 C ATOM 259 CG PHE A 17 -6.605 6.939 0.160 1.00 0.62 C ATOM 260 CD1 PHE A 17 -5.906 7.781 -0.714 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.676 5.565 -0.099 1.00 0.78 C ATOM 262 CE1 PHE A 17 -5.279 7.249 -1.846 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.048 5.033 -1.232 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.350 5.875 -2.106 1.00 0.87 C ATOM 0 H PHE A 17 -8.006 8.351 3.494 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.561 7.048 2.643 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -7.977 6.787 1.801 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -7.864 8.393 1.109 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -5.851 8.841 -0.514 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -7.215 4.915 0.575 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -4.740 7.899 -2.520 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -6.102 3.973 -1.432 1.00 0.89 H new ATOM 0 HZ PHE A 17 -4.867 5.465 -2.980 1.00 0.87 H new ATOM 274 N ALA A 18 -5.946 10.075 1.420 1.00 0.52 N ATOM 275 CA ALA A 18 -5.147 11.223 0.902 1.00 0.66 C ATOM 276 C ALA A 18 -4.279 11.810 2.017 1.00 0.59 C ATOM 277 O ALA A 18 -3.186 12.283 1.782 1.00 0.75 O ATOM 278 CB ALA A 18 -6.182 12.246 0.435 1.00 0.84 C ATOM 0 H ALA A 18 -6.958 10.189 1.359 1.00 0.52 H new ATOM 0 HA ALA A 18 -4.473 10.927 0.098 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -5.672 13.124 0.038 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -6.804 11.805 -0.344 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -6.809 12.540 1.277 1.00 0.84 H new ATOM 284 N GLU A 19 -4.759 11.780 3.230 1.00 0.46 N ATOM 285 CA GLU A 19 -3.964 12.334 4.363 1.00 0.49 C ATOM 286 C GLU A 19 -2.603 11.645 4.440 1.00 0.48 C ATOM 287 O GLU A 19 -1.570 12.282 4.485 1.00 0.56 O ATOM 288 CB GLU A 19 -4.788 12.015 5.609 1.00 0.55 C ATOM 289 CG GLU A 19 -4.230 12.791 6.804 1.00 0.69 C ATOM 290 CD GLU A 19 -5.357 13.081 7.796 1.00 1.04 C ATOM 291 OE1 GLU A 19 -6.182 13.928 7.495 1.00 1.78 O ATOM 292 OE2 GLU A 19 -5.376 12.450 8.841 1.00 1.66 O ATOM 0 H GLU A 19 -5.668 11.395 3.486 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.776 13.402 4.253 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.832 12.281 5.445 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.760 10.944 5.812 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -3.443 12.214 7.290 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -3.779 13.724 6.467 1.00 0.69 H new ATOM 299 N ALA A 20 -2.599 10.342 4.459 1.00 0.45 N ATOM 300 CA ALA A 20 -1.314 9.597 4.537 1.00 0.53 C ATOM 301 C ALA A 20 -0.381 10.032 3.407 1.00 0.57 C ATOM 302 O ALA A 20 0.826 10.011 3.544 1.00 0.71 O ATOM 303 CB ALA A 20 -1.703 8.126 4.380 1.00 0.57 C ATOM 0 H ALA A 20 -3.435 9.759 4.424 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.783 9.781 5.471 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -0.808 7.506 4.426 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.383 7.842 5.183 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.196 7.981 3.419 1.00 0.57 H new ATOM 309 N LEU A 21 -0.930 10.425 2.292 1.00 0.55 N ATOM 310 CA LEU A 21 -0.070 10.860 1.153 1.00 0.69 C ATOM 311 C LEU A 21 0.570 12.211 1.465 1.00 0.75 C ATOM 312 O LEU A 21 1.770 12.375 1.392 1.00 0.92 O ATOM 313 CB LEU A 21 -1.008 10.981 -0.059 1.00 0.74 C ATOM 314 CG LEU A 21 -1.945 9.763 -0.165 1.00 0.84 C ATOM 315 CD1 LEU A 21 -2.594 9.749 -1.546 1.00 0.90 C ATOM 316 CD2 LEU A 21 -1.163 8.460 0.030 1.00 1.44 C ATOM 0 H LEU A 21 -1.934 10.464 2.119 1.00 0.55 H new ATOM 0 HA LEU A 21 0.738 10.153 0.964 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -1.600 11.892 0.026 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -0.418 11.069 -0.971 1.00 0.74 H new ATOM 0 HG LEU A 21 -2.705 9.839 0.612 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -3.259 8.889 -1.627 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -3.167 10.665 -1.688 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -1.820 9.683 -2.311 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -1.843 7.612 -0.049 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -0.393 8.380 -0.737 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -0.696 8.460 1.015 1.00 1.44 H new ATOM 328 N ALA A 22 -0.226 13.179 1.814 1.00 0.71 N ATOM 329 CA ALA A 22 0.328 14.526 2.136 1.00 0.85 C ATOM 330 C ALA A 22 1.449 14.403 3.174 1.00 0.89 C ATOM 331 O ALA A 22 2.421 15.133 3.141 1.00 1.08 O ATOM 332 CB ALA A 22 -0.850 15.313 2.710 1.00 1.00 C ATOM 0 H ALA A 22 -1.240 13.098 1.891 1.00 0.71 H new ATOM 0 HA ALA A 22 0.757 15.015 1.262 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.522 16.319 2.973 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.645 15.373 1.966 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.224 14.809 3.601 1.00 1.00 H new ATOM 338 N ALA A 23 1.325 13.484 4.093 1.00 0.86 N ATOM 339 CA ALA A 23 2.387 13.317 5.127 1.00 0.93 C ATOM 340 C ALA A 23 3.727 12.997 4.460 1.00 0.85 C ATOM 341 O ALA A 23 4.563 13.860 4.280 1.00 0.95 O ATOM 342 CB ALA A 23 1.922 12.144 5.991 1.00 1.05 C ATOM 0 H ALA A 23 0.536 12.843 4.173 1.00 0.86 H new ATOM 0 HA ALA A 23 2.534 14.221 5.717 1.00 0.93 H new ATOM 0 HB1 ALA A 23 2.654 11.959 6.777 1.00 1.05 H new ATOM 0 HB2 ALA A 23 0.958 12.383 6.441 1.00 1.05 H new ATOM 0 HB3 ALA A 23 1.822 11.253 5.371 1.00 1.05 H new ATOM 348 N HIS A 24 3.939 11.763 4.091 1.00 0.83 N ATOM 349 CA HIS A 24 5.227 11.392 3.434 1.00 0.84 C ATOM 350 C HIS A 24 5.082 11.472 1.912 1.00 0.82 C ATOM 351 O HIS A 24 4.177 12.097 1.398 1.00 1.30 O ATOM 352 CB HIS A 24 5.496 9.951 3.872 1.00 0.95 C ATOM 353 CG HIS A 24 5.706 9.906 5.361 1.00 1.22 C ATOM 354 ND1 HIS A 24 5.671 11.045 6.149 1.00 1.80 N ATOM 355 CD2 HIS A 24 5.957 8.865 6.219 1.00 1.84 C ATOM 356 CE1 HIS A 24 5.894 10.666 7.420 1.00 2.04 C ATOM 357 NE2 HIS A 24 6.075 9.347 7.519 1.00 2.00 N ATOM 0 H HIS A 24 3.278 10.996 4.215 1.00 0.83 H new ATOM 0 HA HIS A 24 6.042 12.060 3.713 1.00 0.84 H new ATOM 0 HB2 HIS A 24 4.657 9.313 3.594 1.00 0.95 H new ATOM 0 HB3 HIS A 24 6.376 9.563 3.359 1.00 0.95 H new ATOM 0 HD2 HIS A 24 6.049 7.829 5.929 1.00 1.84 H new ATOM 0 HE1 HIS A 24 5.923 11.346 8.259 1.00 2.04 H new ATOM 0 HE2 HIS A 24 6.260 8.809 8.365 1.00 2.00 H new ATOM 365 N LYS A 25 5.967 10.845 1.186 1.00 0.72 N ATOM 366 CA LYS A 25 5.874 10.888 -0.302 1.00 0.69 C ATOM 367 C LYS A 25 5.434 9.526 -0.843 1.00 0.59 C ATOM 368 O LYS A 25 4.430 9.409 -1.517 1.00 0.68 O ATOM 369 CB LYS A 25 7.287 11.217 -0.781 1.00 0.81 C ATOM 370 CG LYS A 25 7.620 12.672 -0.442 1.00 1.20 C ATOM 371 CD LYS A 25 6.603 13.599 -1.109 1.00 1.51 C ATOM 372 CE LYS A 25 5.750 14.274 -0.033 1.00 2.06 C ATOM 373 NZ LYS A 25 6.460 15.545 0.275 1.00 2.47 N ATOM 0 H LYS A 25 6.749 10.306 1.557 1.00 0.72 H new ATOM 0 HA LYS A 25 5.145 11.621 -0.647 1.00 0.69 H new ATOM 0 HB2 LYS A 25 8.007 10.549 -0.308 1.00 0.81 H new ATOM 0 HB3 LYS A 25 7.363 11.057 -1.857 1.00 0.81 H new ATOM 0 HG2 LYS A 25 7.606 12.817 0.638 1.00 1.20 H new ATOM 0 HG3 LYS A 25 8.627 12.914 -0.783 1.00 1.20 H new ATOM 0 HD2 LYS A 25 7.117 14.352 -1.706 1.00 1.51 H new ATOM 0 HD3 LYS A 25 5.968 13.031 -1.789 1.00 1.51 H new ATOM 0 HE2 LYS A 25 4.738 14.463 -0.392 1.00 2.06 H new ATOM 0 HE3 LYS A 25 5.662 13.646 0.853 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 5.936 16.067 1.006 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 7.418 15.333 0.620 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 6.523 16.125 -0.586 1.00 2.47 H new ATOM 387 N TYR A 26 6.182 8.497 -0.558 1.00 0.52 N ATOM 388 CA TYR A 26 5.812 7.142 -1.063 1.00 0.48 C ATOM 389 C TYR A 26 4.823 6.471 -0.106 1.00 0.46 C ATOM 390 O TYR A 26 5.191 5.992 0.948 1.00 0.53 O ATOM 391 CB TYR A 26 7.125 6.354 -1.112 1.00 0.56 C ATOM 392 CG TYR A 26 8.165 7.130 -1.889 1.00 0.65 C ATOM 393 CD1 TYR A 26 7.815 7.749 -3.095 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.475 7.227 -1.406 1.00 1.08 C ATOM 395 CE1 TYR A 26 8.776 8.465 -3.818 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.437 7.943 -2.130 1.00 1.31 C ATOM 397 CZ TYR A 26 10.094 8.572 -3.317 1.00 1.08 C ATOM 398 OH TYR A 26 11.033 9.268 -4.051 1.00 1.33 O ATOM 0 H TYR A 26 7.033 8.534 0.002 1.00 0.52 H new ATOM 0 HA TYR A 26 5.331 7.189 -2.040 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.482 6.163 -0.100 1.00 0.56 H new ATOM 0 HB3 TYR A 26 6.959 5.383 -1.579 1.00 0.56 H new ATOM 0 HD1 TYR A 26 6.804 7.674 -3.467 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.744 6.750 -0.475 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.512 8.934 -4.754 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.450 8.005 -1.762 1.00 1.31 H new ATOM 0 HH TYR A 26 11.892 9.256 -3.579 1.00 1.33 H new ATOM 408 N LEU A 27 3.569 6.429 -0.467 1.00 0.46 N ATOM 409 CA LEU A 27 2.559 5.784 0.420 1.00 0.45 C ATOM 410 C LEU A 27 1.940 4.577 -0.285 1.00 0.40 C ATOM 411 O LEU A 27 1.235 4.712 -1.266 1.00 0.50 O ATOM 412 CB LEU A 27 1.495 6.855 0.663 1.00 0.51 C ATOM 413 CG LEU A 27 1.895 7.736 1.849 1.00 0.77 C ATOM 414 CD1 LEU A 27 2.082 6.868 3.097 1.00 0.66 C ATOM 415 CD2 LEU A 27 3.205 8.455 1.524 1.00 1.93 C ATOM 0 H LEU A 27 3.201 6.813 -1.337 1.00 0.46 H new ATOM 0 HA LEU A 27 2.999 5.427 1.352 1.00 0.45 H new ATOM 0 HB2 LEU A 27 1.374 7.468 -0.230 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.532 6.384 0.859 1.00 0.51 H new ATOM 0 HG LEU A 27 1.112 8.470 2.037 1.00 0.77 H new ATOM 0 HD11 LEU A 27 2.367 7.498 3.939 1.00 0.66 H new ATOM 0 HD12 LEU A 27 1.148 6.355 3.327 1.00 0.66 H new ATOM 0 HD13 LEU A 27 2.865 6.132 2.914 1.00 0.66 H new ATOM 0 HD21 LEU A 27 3.494 9.084 2.366 1.00 1.93 H new ATOM 0 HD22 LEU A 27 3.987 7.719 1.336 1.00 1.93 H new ATOM 0 HD23 LEU A 27 3.070 9.075 0.638 1.00 1.93 H new ATOM 427 N LEU A 28 2.199 3.397 0.201 1.00 0.33 N ATOM 428 CA LEU A 28 1.623 2.186 -0.446 1.00 0.32 C ATOM 429 C LEU A 28 0.222 1.906 0.100 1.00 0.29 C ATOM 430 O LEU A 28 -0.041 2.062 1.275 1.00 0.35 O ATOM 431 CB LEU A 28 2.579 1.051 -0.083 1.00 0.40 C ATOM 432 CG LEU A 28 2.918 0.247 -1.339 1.00 0.53 C ATOM 433 CD1 LEU A 28 1.638 -0.366 -1.908 1.00 1.12 C ATOM 434 CD2 LEU A 28 3.551 1.171 -2.382 1.00 0.73 C ATOM 0 H LEU A 28 2.784 3.218 1.017 1.00 0.33 H new ATOM 0 HA LEU A 28 1.522 2.304 -1.525 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.489 1.456 0.359 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.123 0.402 0.665 1.00 0.40 H new ATOM 0 HG LEU A 28 3.621 -0.547 -1.086 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.876 -0.940 -2.804 1.00 1.12 H new ATOM 0 HD12 LEU A 28 1.188 -1.024 -1.165 1.00 1.12 H new ATOM 0 HD13 LEU A 28 0.936 0.428 -2.162 1.00 1.12 H new ATOM 0 HD21 LEU A 28 3.793 0.598 -3.277 1.00 0.73 H new ATOM 0 HD22 LEU A 28 2.850 1.965 -2.638 1.00 0.73 H new ATOM 0 HD23 LEU A 28 4.462 1.609 -1.975 1.00 0.73 H new ATOM 446 N VAL A 29 -0.679 1.492 -0.747 1.00 0.32 N ATOM 447 CA VAL A 29 -2.064 1.200 -0.280 1.00 0.32 C ATOM 448 C VAL A 29 -2.650 0.035 -1.081 1.00 0.34 C ATOM 449 O VAL A 29 -2.570 0.000 -2.292 1.00 0.47 O ATOM 450 CB VAL A 29 -2.848 2.485 -0.544 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.274 2.329 -0.010 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.164 3.655 0.167 1.00 0.77 C ATOM 0 H VAL A 29 -0.516 1.343 -1.743 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.099 0.913 0.771 1.00 0.32 H new ATOM 0 HB VAL A 29 -2.879 2.679 -1.616 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -4.835 3.245 -0.197 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.762 1.495 -0.514 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.242 2.136 1.062 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -2.723 4.572 -0.021 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.134 3.462 1.239 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.147 3.766 -0.210 1.00 0.77 H new ATOM 462 N GLU A 30 -3.237 -0.921 -0.413 1.00 0.32 N ATOM 463 CA GLU A 30 -3.822 -2.084 -1.141 1.00 0.39 C ATOM 464 C GLU A 30 -5.284 -2.290 -0.728 1.00 0.36 C ATOM 465 O GLU A 30 -5.627 -2.224 0.435 1.00 0.42 O ATOM 466 CB GLU A 30 -2.967 -3.281 -0.720 1.00 0.52 C ATOM 467 CG GLU A 30 -3.552 -4.565 -1.314 1.00 0.64 C ATOM 468 CD GLU A 30 -2.720 -5.764 -0.855 1.00 0.89 C ATOM 469 OE1 GLU A 30 -1.554 -5.570 -0.551 1.00 1.48 O ATOM 470 OE2 GLU A 30 -3.261 -6.857 -0.817 1.00 1.60 O ATOM 0 H GLU A 30 -3.337 -0.947 0.602 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.819 -1.941 -2.222 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -1.941 -3.145 -1.061 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -2.935 -3.353 0.367 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.588 -4.685 -0.998 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.555 -4.506 -2.402 1.00 0.64 H new ATOM 477 N PHE A 31 -6.147 -2.537 -1.678 1.00 0.35 N ATOM 478 CA PHE A 31 -7.585 -2.744 -1.347 1.00 0.36 C ATOM 479 C PHE A 31 -7.899 -4.239 -1.240 1.00 0.39 C ATOM 480 O PHE A 31 -7.702 -4.992 -2.172 1.00 0.49 O ATOM 481 CB PHE A 31 -8.342 -2.125 -2.519 1.00 0.41 C ATOM 482 CG PHE A 31 -8.010 -0.655 -2.611 1.00 0.38 C ATOM 483 CD1 PHE A 31 -6.923 -0.229 -3.383 1.00 0.45 C ATOM 484 CD2 PHE A 31 -8.792 0.281 -1.925 1.00 0.53 C ATOM 485 CE1 PHE A 31 -6.618 1.135 -3.469 1.00 0.52 C ATOM 486 CE2 PHE A 31 -8.487 1.645 -2.010 1.00 0.59 C ATOM 487 CZ PHE A 31 -7.390 2.069 -2.780 1.00 0.53 C ATOM 0 H PHE A 31 -5.917 -2.604 -2.669 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.859 -2.296 -0.392 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -8.072 -2.629 -3.447 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.415 -2.259 -2.384 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -6.320 -0.952 -3.912 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -9.631 -0.049 -1.330 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -5.783 1.464 -4.070 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -9.093 2.369 -1.486 1.00 0.59 H new ATOM 0 HZ PHE A 31 -7.145 3.119 -2.838 1.00 0.53 H new ATOM 497 N TYR A 32 -8.394 -4.674 -0.113 1.00 0.37 N ATOM 498 CA TYR A 32 -8.723 -6.121 0.043 1.00 0.44 C ATOM 499 C TYR A 32 -10.037 -6.288 0.821 1.00 0.40 C ATOM 500 O TYR A 32 -10.527 -5.360 1.433 1.00 0.45 O ATOM 501 CB TYR A 32 -7.530 -6.720 0.810 1.00 0.54 C ATOM 502 CG TYR A 32 -7.573 -6.308 2.269 1.00 0.54 C ATOM 503 CD1 TYR A 32 -8.370 -7.012 3.179 1.00 0.66 C ATOM 504 CD2 TYR A 32 -6.810 -5.218 2.705 1.00 0.58 C ATOM 505 CE1 TYR A 32 -8.403 -6.624 4.525 1.00 0.79 C ATOM 506 CE2 TYR A 32 -6.842 -4.832 4.049 1.00 0.67 C ATOM 507 CZ TYR A 32 -7.665 -5.558 4.965 1.00 0.77 C ATOM 508 OH TYR A 32 -7.672 -5.154 6.285 1.00 0.94 O ATOM 0 H TYR A 32 -8.584 -4.093 0.704 1.00 0.37 H new ATOM 0 HA TYR A 32 -8.872 -6.622 -0.913 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.550 -7.807 0.733 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.596 -6.385 0.359 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -8.959 -7.853 2.844 1.00 0.66 H new ATOM 0 HD2 TYR A 32 -6.196 -4.674 2.002 1.00 0.58 H new ATOM 0 HE1 TYR A 32 -9.018 -7.172 5.224 1.00 0.79 H new ATOM 0 HE2 TYR A 32 -6.252 -3.995 4.391 1.00 0.67 H new ATOM 0 HH TYR A 32 -8.548 -4.776 6.507 1.00 0.94 H new ATOM 518 N ALA A 33 -10.607 -7.463 0.810 1.00 0.40 N ATOM 519 CA ALA A 33 -11.878 -7.676 1.556 1.00 0.44 C ATOM 520 C ALA A 33 -11.704 -8.804 2.580 1.00 0.53 C ATOM 521 O ALA A 33 -10.835 -9.639 2.430 1.00 0.56 O ATOM 522 CB ALA A 33 -12.903 -8.071 0.490 1.00 0.49 C ATOM 0 H ALA A 33 -10.248 -8.281 0.318 1.00 0.40 H new ATOM 0 HA ALA A 33 -12.188 -6.789 2.108 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.870 -8.246 0.962 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -12.996 -7.268 -0.241 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.574 -8.981 -0.011 1.00 0.49 H new ATOM 528 N PRO A 34 -12.543 -8.801 3.587 1.00 0.63 N ATOM 529 CA PRO A 34 -12.473 -9.853 4.631 1.00 0.78 C ATOM 530 C PRO A 34 -12.888 -11.208 4.048 1.00 0.82 C ATOM 531 O PRO A 34 -12.595 -12.249 4.600 1.00 0.96 O ATOM 532 CB PRO A 34 -13.467 -9.379 5.689 1.00 0.90 C ATOM 533 CG PRO A 34 -14.422 -8.502 4.944 1.00 0.81 C ATOM 534 CD PRO A 34 -13.634 -7.846 3.843 1.00 0.66 C ATOM 0 HA PRO A 34 -11.471 -9.993 5.036 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -13.982 -10.220 6.154 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.966 -8.831 6.487 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -15.246 -9.086 4.535 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.859 -7.754 5.606 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -14.244 -7.685 2.954 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -13.252 -6.872 4.148 1.00 0.66 H new ATOM 542 N TRP A 35 -13.559 -11.202 2.927 1.00 0.74 N ATOM 543 CA TRP A 35 -13.980 -12.489 2.304 1.00 0.83 C ATOM 544 C TRP A 35 -12.985 -12.894 1.212 1.00 0.78 C ATOM 545 O TRP A 35 -12.943 -14.033 0.793 1.00 0.92 O ATOM 546 CB TRP A 35 -15.366 -12.222 1.707 1.00 0.91 C ATOM 547 CG TRP A 35 -15.299 -11.082 0.740 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.625 -9.800 1.027 1.00 0.84 C ATOM 549 CD2 TRP A 35 -14.897 -11.097 -0.662 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.444 -9.027 -0.105 1.00 0.85 N ATOM 551 CE2 TRP A 35 -14.998 -9.780 -1.173 1.00 1.19 C ATOM 552 CE3 TRP A 35 -14.459 -12.113 -1.530 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -14.675 -9.483 -2.498 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -14.133 -11.817 -2.865 1.00 2.36 C ATOM 555 CH2 TRP A 35 -14.241 -10.504 -3.347 1.00 2.26 C ATOM 0 H TRP A 35 -13.833 -10.362 2.417 1.00 0.74 H new ATOM 0 HA TRP A 35 -14.009 -13.305 3.026 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.731 -13.116 1.202 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -16.075 -11.993 2.502 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.970 -9.439 1.985 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.619 -8.023 -0.146 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.373 -13.127 -1.169 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -14.760 -8.471 -2.864 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -13.798 -12.605 -3.523 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -13.989 -10.283 -4.374 1.00 2.26 H new ATOM 566 N CYS A 36 -12.174 -11.974 0.753 1.00 0.65 N ATOM 567 CA CYS A 36 -11.181 -12.323 -0.301 1.00 0.67 C ATOM 568 C CYS A 36 -10.232 -13.407 0.221 1.00 0.84 C ATOM 569 O CYS A 36 -9.599 -13.248 1.245 1.00 1.63 O ATOM 570 CB CYS A 36 -10.427 -11.021 -0.564 1.00 0.58 C ATOM 571 SG CYS A 36 -9.128 -11.304 -1.791 1.00 1.07 S ATOM 0 H CYS A 36 -12.158 -11.002 1.062 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.643 -12.715 -1.207 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -11.117 -10.256 -0.921 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.990 -10.649 0.363 1.00 0.58 H new ATOM 576 N GLY A 37 -10.140 -14.513 -0.467 1.00 0.96 N ATOM 577 CA GLY A 37 -9.245 -15.609 0.003 1.00 1.08 C ATOM 578 C GLY A 37 -7.837 -15.423 -0.570 1.00 1.00 C ATOM 579 O GLY A 37 -6.860 -15.837 0.022 1.00 1.83 O ATOM 0 H GLY A 37 -10.645 -14.705 -1.332 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.205 -15.614 1.092 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -9.647 -16.574 -0.305 1.00 1.08 H new ATOM 583 N HIS A 38 -7.722 -14.813 -1.717 1.00 0.89 N ATOM 584 CA HIS A 38 -6.370 -14.617 -2.318 1.00 0.97 C ATOM 585 C HIS A 38 -5.739 -13.307 -1.832 1.00 0.88 C ATOM 586 O HIS A 38 -4.745 -12.856 -2.366 1.00 1.13 O ATOM 587 CB HIS A 38 -6.614 -14.561 -3.825 1.00 1.32 C ATOM 588 CG HIS A 38 -5.421 -15.124 -4.547 1.00 1.72 C ATOM 589 ND1 HIS A 38 -5.218 -14.928 -5.904 1.00 2.39 N ATOM 590 CD2 HIS A 38 -4.357 -15.875 -4.112 1.00 2.35 C ATOM 591 CE1 HIS A 38 -4.071 -15.550 -6.234 1.00 2.85 C ATOM 592 NE2 HIS A 38 -3.506 -16.143 -5.179 1.00 2.87 N ATOM 0 H HIS A 38 -8.500 -14.443 -2.263 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.683 -15.415 -2.038 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -7.509 -15.129 -4.081 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -6.789 -13.532 -4.138 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -4.204 -16.207 -3.096 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -3.657 -15.568 -7.232 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -2.637 -16.677 -5.160 1.00 2.87 H new ATOM 600 N CYS A 39 -6.299 -12.693 -0.827 1.00 0.79 N ATOM 601 CA CYS A 39 -5.715 -11.420 -0.318 1.00 0.88 C ATOM 602 C CYS A 39 -4.788 -11.705 0.861 1.00 0.82 C ATOM 603 O CYS A 39 -3.843 -10.984 1.112 1.00 1.00 O ATOM 604 CB CYS A 39 -6.913 -10.582 0.121 1.00 1.08 C ATOM 605 SG CYS A 39 -7.739 -9.917 -1.344 1.00 1.00 S ATOM 0 H CYS A 39 -7.133 -13.016 -0.337 1.00 0.79 H new ATOM 0 HA CYS A 39 -5.118 -10.905 -1.071 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.607 -11.192 0.699 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.586 -9.769 0.770 1.00 1.08 H new ATOM 610 N LYS A 40 -5.048 -12.758 1.585 1.00 0.78 N ATOM 611 CA LYS A 40 -4.177 -13.098 2.745 1.00 0.94 C ATOM 612 C LYS A 40 -2.863 -13.709 2.248 1.00 0.84 C ATOM 613 O LYS A 40 -1.862 -13.696 2.937 1.00 0.94 O ATOM 614 CB LYS A 40 -4.976 -14.115 3.561 1.00 1.21 C ATOM 615 CG LYS A 40 -5.207 -15.381 2.733 1.00 1.56 C ATOM 616 CD LYS A 40 -6.573 -15.976 3.082 1.00 2.11 C ATOM 617 CE LYS A 40 -6.546 -17.489 2.856 1.00 2.72 C ATOM 618 NZ LYS A 40 -7.825 -17.987 3.435 1.00 3.29 N ATOM 0 H LYS A 40 -5.826 -13.398 1.424 1.00 0.78 H new ATOM 0 HA LYS A 40 -3.916 -12.223 3.341 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.439 -14.362 4.477 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -5.932 -13.685 3.858 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -5.162 -15.146 1.670 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -4.420 -16.108 2.933 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -6.822 -15.758 4.121 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -7.348 -15.520 2.466 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -6.473 -17.729 1.795 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -5.686 -17.946 3.346 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -7.880 -19.019 3.318 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -7.863 -17.750 4.447 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -8.626 -17.540 2.944 1.00 3.29 H new ATOM 632 N ALA A 41 -2.858 -14.243 1.056 1.00 0.77 N ATOM 633 CA ALA A 41 -1.608 -14.851 0.518 1.00 0.86 C ATOM 634 C ALA A 41 -0.466 -13.832 0.558 1.00 0.75 C ATOM 635 O ALA A 41 0.678 -14.176 0.781 1.00 0.90 O ATOM 636 CB ALA A 41 -1.940 -15.230 -0.926 1.00 0.93 C ATOM 0 H ALA A 41 -3.664 -14.284 0.433 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.284 -15.714 1.100 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -1.067 -15.686 -1.393 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.768 -15.939 -0.935 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -2.223 -14.336 -1.481 1.00 0.93 H new ATOM 642 N LEU A 42 -0.766 -12.578 0.344 1.00 0.65 N ATOM 643 CA LEU A 42 0.305 -11.539 0.372 1.00 0.67 C ATOM 644 C LEU A 42 0.168 -10.654 1.619 1.00 0.63 C ATOM 645 O LEU A 42 0.830 -9.641 1.744 1.00 0.70 O ATOM 646 CB LEU A 42 0.086 -10.713 -0.896 1.00 0.82 C ATOM 647 CG LEU A 42 1.405 -10.064 -1.315 1.00 0.86 C ATOM 648 CD1 LEU A 42 1.978 -10.807 -2.523 1.00 1.37 C ATOM 649 CD2 LEU A 42 1.157 -8.601 -1.687 1.00 1.24 C ATOM 0 H LEU A 42 -1.705 -12.229 0.151 1.00 0.65 H new ATOM 0 HA LEU A 42 1.301 -11.980 0.410 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.289 -11.350 -1.697 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -0.668 -9.947 -0.718 1.00 0.82 H new ATOM 0 HG LEU A 42 2.114 -10.114 -0.488 1.00 0.86 H new ATOM 0 HD11 LEU A 42 2.919 -10.344 -2.822 1.00 1.37 H new ATOM 0 HD12 LEU A 42 2.154 -11.850 -2.259 1.00 1.37 H new ATOM 0 HD13 LEU A 42 1.270 -10.757 -3.350 1.00 1.37 H new ATOM 0 HD21 LEU A 42 2.097 -8.137 -1.986 1.00 1.24 H new ATOM 0 HD22 LEU A 42 0.449 -8.551 -2.514 1.00 1.24 H new ATOM 0 HD23 LEU A 42 0.748 -8.071 -0.827 1.00 1.24 H new ATOM 661 N ALA A 43 -0.681 -11.022 2.542 1.00 0.71 N ATOM 662 CA ALA A 43 -0.850 -10.198 3.773 1.00 0.73 C ATOM 663 C ALA A 43 0.420 -10.249 4.633 1.00 0.67 C ATOM 664 O ALA A 43 0.992 -9.224 4.943 1.00 0.65 O ATOM 665 CB ALA A 43 -2.024 -10.835 4.517 1.00 0.88 C ATOM 0 H ALA A 43 -1.264 -11.858 2.496 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.031 -9.148 3.541 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.213 -10.284 5.438 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.913 -10.805 3.887 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.784 -11.871 4.756 1.00 0.88 H new ATOM 671 N PRO A 44 0.822 -11.445 4.999 1.00 0.69 N ATOM 672 CA PRO A 44 2.036 -11.604 5.837 1.00 0.70 C ATOM 673 C PRO A 44 3.305 -11.309 5.031 1.00 0.59 C ATOM 674 O PRO A 44 4.390 -11.256 5.573 1.00 0.65 O ATOM 675 CB PRO A 44 1.988 -13.064 6.269 1.00 0.83 C ATOM 676 CG PRO A 44 1.174 -13.753 5.220 1.00 0.84 C ATOM 677 CD PRO A 44 0.199 -12.740 4.682 1.00 0.76 C ATOM 0 HA PRO A 44 2.058 -10.915 6.681 1.00 0.70 H new ATOM 0 HB2 PRO A 44 2.990 -13.489 6.334 1.00 0.83 H new ATOM 0 HB3 PRO A 44 1.533 -13.169 7.254 1.00 0.83 H new ATOM 0 HG2 PRO A 44 1.814 -14.133 4.424 1.00 0.84 H new ATOM 0 HG3 PRO A 44 0.647 -14.609 5.641 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.050 -12.860 3.609 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.779 -12.838 5.152 1.00 0.76 H new ATOM 685 N GLU A 45 3.184 -11.096 3.749 1.00 0.53 N ATOM 686 CA GLU A 45 4.387 -10.783 2.935 1.00 0.46 C ATOM 687 C GLU A 45 4.509 -9.269 2.825 1.00 0.41 C ATOM 688 O GLU A 45 5.581 -8.704 2.896 1.00 0.47 O ATOM 689 CB GLU A 45 4.118 -11.410 1.567 1.00 0.48 C ATOM 690 CG GLU A 45 4.163 -12.934 1.685 1.00 0.61 C ATOM 691 CD GLU A 45 2.737 -13.479 1.789 1.00 1.12 C ATOM 692 OE1 GLU A 45 1.902 -13.050 1.010 1.00 1.83 O ATOM 693 OE2 GLU A 45 2.504 -14.316 2.646 1.00 1.90 O ATOM 0 H GLU A 45 2.305 -11.126 3.233 1.00 0.53 H new ATOM 0 HA GLU A 45 5.313 -11.165 3.364 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.144 -11.092 1.195 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.861 -11.069 0.846 1.00 0.48 H new ATOM 0 HG2 GLU A 45 4.665 -13.362 0.817 1.00 0.61 H new ATOM 0 HG3 GLU A 45 4.740 -13.225 2.563 1.00 0.61 H new ATOM 700 N TYR A 46 3.396 -8.610 2.676 1.00 0.43 N ATOM 701 CA TYR A 46 3.406 -7.129 2.585 1.00 0.48 C ATOM 702 C TYR A 46 3.641 -6.541 3.992 1.00 0.52 C ATOM 703 O TYR A 46 4.048 -5.406 4.137 1.00 0.69 O ATOM 704 CB TYR A 46 2.013 -6.783 2.013 1.00 0.64 C ATOM 705 CG TYR A 46 1.515 -5.450 2.523 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.841 -5.366 3.747 1.00 1.03 C ATOM 707 CD2 TYR A 46 1.730 -4.298 1.761 1.00 1.02 C ATOM 708 CE1 TYR A 46 0.381 -4.127 4.208 1.00 1.39 C ATOM 709 CE2 TYR A 46 1.272 -3.061 2.222 1.00 1.38 C ATOM 710 CZ TYR A 46 0.593 -2.994 3.491 1.00 1.50 C ATOM 711 OH TYR A 46 0.145 -1.753 3.892 1.00 1.95 O ATOM 0 H TYR A 46 2.473 -9.039 2.613 1.00 0.43 H new ATOM 0 HA TYR A 46 4.195 -6.719 1.955 1.00 0.48 H new ATOM 0 HB2 TYR A 46 2.062 -6.761 0.924 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.304 -7.565 2.285 1.00 0.64 H new ATOM 0 HD1 TYR A 46 0.676 -6.257 4.335 1.00 1.03 H new ATOM 0 HD2 TYR A 46 2.250 -4.364 0.817 1.00 1.02 H new ATOM 0 HE1 TYR A 46 -0.150 -4.072 5.147 1.00 1.39 H new ATOM 0 HE2 TYR A 46 1.425 -2.167 1.635 1.00 1.38 H new ATOM 0 HH TYR A 46 0.763 -1.380 4.555 1.00 1.95 H new ATOM 721 N ALA A 47 3.397 -7.309 5.024 1.00 0.53 N ATOM 722 CA ALA A 47 3.622 -6.788 6.404 1.00 0.62 C ATOM 723 C ALA A 47 5.103 -6.904 6.753 1.00 0.58 C ATOM 724 O ALA A 47 5.656 -6.083 7.458 1.00 0.68 O ATOM 725 CB ALA A 47 2.781 -7.683 7.316 1.00 0.73 C ATOM 0 H ALA A 47 3.054 -8.268 4.970 1.00 0.53 H new ATOM 0 HA ALA A 47 3.342 -5.740 6.508 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.896 -7.359 8.350 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.732 -7.612 7.028 1.00 0.73 H new ATOM 0 HB3 ALA A 47 3.115 -8.716 7.220 1.00 0.73 H new ATOM 731 N LYS A 48 5.751 -7.916 6.248 1.00 0.51 N ATOM 732 CA LYS A 48 7.200 -8.092 6.526 1.00 0.55 C ATOM 733 C LYS A 48 7.995 -7.054 5.738 1.00 0.53 C ATOM 734 O LYS A 48 9.042 -6.602 6.160 1.00 0.65 O ATOM 735 CB LYS A 48 7.525 -9.507 6.041 1.00 0.60 C ATOM 736 CG LYS A 48 6.909 -10.534 6.995 1.00 1.03 C ATOM 737 CD LYS A 48 7.426 -10.297 8.415 1.00 1.41 C ATOM 738 CE LYS A 48 7.806 -11.635 9.053 1.00 1.92 C ATOM 739 NZ LYS A 48 9.268 -11.777 8.807 1.00 2.47 N ATOM 0 H LYS A 48 5.335 -8.632 5.652 1.00 0.51 H new ATOM 0 HA LYS A 48 7.450 -7.962 7.579 1.00 0.55 H new ATOM 0 HB2 LYS A 48 7.137 -9.654 5.033 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.605 -9.645 5.990 1.00 0.60 H new ATOM 0 HG2 LYS A 48 5.822 -10.455 6.976 1.00 1.03 H new ATOM 0 HG3 LYS A 48 7.161 -11.543 6.670 1.00 1.03 H new ATOM 0 HD2 LYS A 48 8.291 -9.635 8.392 1.00 1.41 H new ATOM 0 HD3 LYS A 48 6.661 -9.801 9.013 1.00 1.41 H new ATOM 0 HE2 LYS A 48 7.583 -11.641 10.120 1.00 1.92 H new ATOM 0 HE3 LYS A 48 7.249 -12.458 8.606 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 9.604 -12.672 9.216 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 9.450 -11.775 7.783 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 9.773 -10.983 9.250 1.00 2.47 H new ATOM 753 N ALA A 49 7.498 -6.666 4.595 1.00 0.47 N ATOM 754 CA ALA A 49 8.215 -5.650 3.779 1.00 0.50 C ATOM 755 C ALA A 49 8.317 -4.343 4.563 1.00 0.53 C ATOM 756 O ALA A 49 9.328 -3.670 4.545 1.00 0.65 O ATOM 757 CB ALA A 49 7.356 -5.466 2.527 1.00 0.55 C ATOM 0 H ALA A 49 6.626 -7.010 4.192 1.00 0.47 H new ATOM 0 HA ALA A 49 9.231 -5.954 3.526 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.820 -4.729 1.872 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.272 -6.417 2.001 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.363 -5.121 2.815 1.00 0.55 H new ATOM 763 N ALA A 50 7.276 -3.985 5.262 1.00 0.54 N ATOM 764 CA ALA A 50 7.310 -2.728 6.061 1.00 0.65 C ATOM 765 C ALA A 50 8.431 -2.810 7.097 1.00 0.65 C ATOM 766 O ALA A 50 9.003 -1.813 7.490 1.00 0.77 O ATOM 767 CB ALA A 50 5.944 -2.655 6.745 1.00 0.76 C ATOM 0 H ALA A 50 6.402 -4.509 5.315 1.00 0.54 H new ATOM 0 HA ALA A 50 7.500 -1.846 5.450 1.00 0.65 H new ATOM 0 HB1 ALA A 50 5.890 -1.753 7.355 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.159 -2.629 5.989 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.808 -3.531 7.380 1.00 0.76 H new ATOM 773 N GLY A 51 8.754 -3.995 7.537 1.00 0.59 N ATOM 774 CA GLY A 51 9.844 -4.150 8.541 1.00 0.69 C ATOM 775 C GLY A 51 11.188 -3.872 7.868 1.00 0.78 C ATOM 776 O GLY A 51 12.152 -3.509 8.513 1.00 0.90 O ATOM 0 H GLY A 51 8.309 -4.865 7.244 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.690 -3.462 9.372 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.833 -5.158 8.956 1.00 0.69 H new ATOM 780 N LYS A 52 11.261 -4.033 6.574 1.00 0.80 N ATOM 781 CA LYS A 52 12.545 -3.768 5.865 1.00 1.01 C ATOM 782 C LYS A 52 13.029 -2.353 6.190 1.00 1.12 C ATOM 783 O LYS A 52 14.212 -2.078 6.205 1.00 1.31 O ATOM 784 CB LYS A 52 12.215 -3.899 4.377 1.00 1.15 C ATOM 785 CG LYS A 52 11.771 -5.333 4.077 1.00 1.49 C ATOM 786 CD LYS A 52 13.005 -6.220 3.888 1.00 1.97 C ATOM 787 CE LYS A 52 13.249 -7.032 5.162 1.00 2.64 C ATOM 788 NZ LYS A 52 12.707 -8.387 4.865 1.00 3.08 N ATOM 0 H LYS A 52 10.490 -4.336 5.979 1.00 0.80 H new ATOM 0 HA LYS A 52 13.337 -4.456 6.161 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.425 -3.198 4.106 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.088 -3.644 3.776 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.158 -5.714 4.894 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.154 -5.354 3.179 1.00 1.49 H new ATOM 0 HD2 LYS A 52 12.859 -6.889 3.040 1.00 1.97 H new ATOM 0 HD3 LYS A 52 13.877 -5.606 3.663 1.00 1.97 H new ATOM 0 HE2 LYS A 52 14.311 -7.076 5.405 1.00 2.64 H new ATOM 0 HE3 LYS A 52 12.745 -6.584 6.018 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 12.838 -9.002 5.693 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 11.693 -8.315 4.644 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 13.211 -8.791 4.050 1.00 3.08 H new ATOM 802 N LEU A 53 12.118 -1.459 6.465 1.00 1.12 N ATOM 803 CA LEU A 53 12.520 -0.065 6.805 1.00 1.33 C ATOM 804 C LEU A 53 12.217 0.229 8.283 1.00 1.30 C ATOM 805 O LEU A 53 12.257 1.363 8.717 1.00 1.50 O ATOM 806 CB LEU A 53 11.683 0.833 5.884 1.00 1.55 C ATOM 807 CG LEU A 53 10.202 0.739 6.264 1.00 1.47 C ATOM 808 CD1 LEU A 53 9.703 2.113 6.724 1.00 2.07 C ATOM 809 CD2 LEU A 53 9.390 0.283 5.049 1.00 1.82 C ATOM 0 H LEU A 53 11.113 -1.634 6.469 1.00 1.12 H new ATOM 0 HA LEU A 53 13.588 0.103 6.664 1.00 1.33 H new ATOM 0 HB2 LEU A 53 12.022 1.866 5.963 1.00 1.55 H new ATOM 0 HB3 LEU A 53 11.820 0.531 4.846 1.00 1.55 H new ATOM 0 HG LEU A 53 10.081 0.019 7.073 1.00 1.47 H new ATOM 0 HD11 LEU A 53 8.649 2.046 6.994 1.00 2.07 H new ATOM 0 HD12 LEU A 53 10.280 2.438 7.590 1.00 2.07 H new ATOM 0 HD13 LEU A 53 9.825 2.834 5.915 1.00 2.07 H new ATOM 0 HD21 LEU A 53 8.336 0.216 5.320 1.00 1.82 H new ATOM 0 HD22 LEU A 53 9.512 1.002 4.239 1.00 1.82 H new ATOM 0 HD23 LEU A 53 9.743 -0.695 4.722 1.00 1.82 H new ATOM 821 N LYS A 54 11.915 -0.783 9.060 1.00 1.20 N ATOM 822 CA LYS A 54 11.616 -0.549 10.504 1.00 1.35 C ATOM 823 C LYS A 54 12.758 0.237 11.144 1.00 1.40 C ATOM 824 O LYS A 54 12.624 1.403 11.457 1.00 1.67 O ATOM 825 CB LYS A 54 11.510 -1.941 11.124 1.00 1.46 C ATOM 826 CG LYS A 54 11.302 -1.816 12.634 1.00 1.91 C ATOM 827 CD LYS A 54 10.797 -3.148 13.190 1.00 2.50 C ATOM 828 CE LYS A 54 9.906 -2.895 14.408 1.00 2.87 C ATOM 829 NZ LYS A 54 9.823 -4.211 15.101 1.00 3.88 N ATOM 0 H LYS A 54 11.863 -1.756 8.757 1.00 1.20 H new ATOM 0 HA LYS A 54 10.702 0.026 10.652 1.00 1.35 H new ATOM 0 HB2 LYS A 54 10.680 -2.487 10.676 1.00 1.46 H new ATOM 0 HB3 LYS A 54 12.415 -2.512 10.918 1.00 1.46 H new ATOM 0 HG2 LYS A 54 12.238 -1.538 13.119 1.00 1.91 H new ATOM 0 HG3 LYS A 54 10.584 -1.024 12.849 1.00 1.91 H new ATOM 0 HD2 LYS A 54 10.238 -3.684 12.423 1.00 2.50 H new ATOM 0 HD3 LYS A 54 11.640 -3.779 13.469 1.00 2.50 H new ATOM 0 HE2 LYS A 54 10.333 -2.132 15.059 1.00 2.87 H new ATOM 0 HE3 LYS A 54 8.919 -2.543 14.109 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 9.228 -4.120 15.949 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 9.406 -4.916 14.459 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 10.777 -4.518 15.379 1.00 3.88 H new ATOM 843 N ALA A 55 13.891 -0.386 11.323 1.00 1.63 N ATOM 844 CA ALA A 55 15.048 0.341 11.921 1.00 2.20 C ATOM 845 C ALA A 55 15.315 1.607 11.105 1.00 2.03 C ATOM 846 O ALA A 55 15.647 2.650 11.631 1.00 2.38 O ATOM 847 CB ALA A 55 16.228 -0.626 11.821 1.00 2.78 C ATOM 0 H ALA A 55 14.066 -1.362 11.083 1.00 1.63 H new ATOM 0 HA ALA A 55 14.872 0.643 12.953 1.00 2.20 H new ATOM 0 HB1 ALA A 55 17.118 -0.159 12.243 1.00 2.78 H new ATOM 0 HB2 ALA A 55 16.000 -1.537 12.374 1.00 2.78 H new ATOM 0 HB3 ALA A 55 16.409 -0.872 10.775 1.00 2.78 H new ATOM 853 N GLU A 56 15.148 1.512 9.816 1.00 1.67 N ATOM 854 CA GLU A 56 15.359 2.691 8.929 1.00 1.70 C ATOM 855 C GLU A 56 15.105 2.291 7.473 1.00 1.53 C ATOM 856 O GLU A 56 13.970 2.196 7.050 1.00 1.98 O ATOM 857 CB GLU A 56 16.808 3.166 9.136 1.00 1.99 C ATOM 858 CG GLU A 56 17.757 1.976 9.348 1.00 2.69 C ATOM 859 CD GLU A 56 19.083 2.245 8.634 1.00 3.21 C ATOM 860 OE1 GLU A 56 19.831 3.081 9.111 1.00 3.63 O ATOM 861 OE2 GLU A 56 19.326 1.608 7.622 1.00 3.64 O ATOM 0 H GLU A 56 14.871 0.657 9.333 1.00 1.67 H new ATOM 0 HA GLU A 56 14.669 3.500 9.170 1.00 1.70 H new ATOM 0 HB2 GLU A 56 17.132 3.743 8.270 1.00 1.99 H new ATOM 0 HB3 GLU A 56 16.856 3.831 9.998 1.00 1.99 H new ATOM 0 HG2 GLU A 56 17.930 1.821 10.413 1.00 2.69 H new ATOM 0 HG3 GLU A 56 17.303 1.063 8.963 1.00 2.69 H new ATOM 868 N GLY A 57 16.127 2.059 6.690 1.00 1.58 N ATOM 869 CA GLY A 57 15.896 1.675 5.269 1.00 2.25 C ATOM 870 C GLY A 57 15.442 2.901 4.467 1.00 1.97 C ATOM 871 O GLY A 57 16.022 3.239 3.453 1.00 2.50 O ATOM 0 H GLY A 57 17.105 2.119 6.973 1.00 1.58 H new ATOM 0 HA2 GLY A 57 16.811 1.267 4.840 1.00 2.25 H new ATOM 0 HA3 GLY A 57 15.140 0.892 5.213 1.00 2.25 H new ATOM 875 N SER A 58 14.403 3.567 4.907 1.00 1.30 N ATOM 876 CA SER A 58 13.899 4.767 4.172 1.00 1.23 C ATOM 877 C SER A 58 12.664 5.324 4.879 1.00 1.03 C ATOM 878 O SER A 58 12.219 4.803 5.882 1.00 1.27 O ATOM 879 CB SER A 58 13.521 4.271 2.771 1.00 1.53 C ATOM 880 OG SER A 58 13.961 5.211 1.802 1.00 2.13 O ATOM 0 H SER A 58 13.879 3.329 5.749 1.00 1.30 H new ATOM 0 HA SER A 58 14.646 5.560 4.130 1.00 1.23 H new ATOM 0 HB2 SER A 58 13.976 3.298 2.583 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.442 4.137 2.700 1.00 1.53 H new ATOM 0 HG SER A 58 13.721 4.894 0.906 1.00 2.13 H new ATOM 886 N GLU A 59 12.106 6.377 4.357 1.00 0.85 N ATOM 887 CA GLU A 59 10.892 6.972 4.989 1.00 0.87 C ATOM 888 C GLU A 59 9.618 6.471 4.294 1.00 0.76 C ATOM 889 O GLU A 59 8.525 6.899 4.606 1.00 1.06 O ATOM 890 CB GLU A 59 11.045 8.480 4.797 1.00 1.10 C ATOM 891 CG GLU A 59 11.131 8.796 3.302 1.00 1.05 C ATOM 892 CD GLU A 59 10.017 9.773 2.920 1.00 1.58 C ATOM 893 OE1 GLU A 59 10.216 10.964 3.089 1.00 2.22 O ATOM 894 OE2 GLU A 59 8.983 9.313 2.463 1.00 2.13 O ATOM 0 H GLU A 59 12.436 6.855 3.518 1.00 0.85 H new ATOM 0 HA GLU A 59 10.804 6.697 6.040 1.00 0.87 H new ATOM 0 HB2 GLU A 59 10.198 9.002 5.242 1.00 1.10 H new ATOM 0 HB3 GLU A 59 11.941 8.834 5.307 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.104 9.228 3.066 1.00 1.05 H new ATOM 0 HG3 GLU A 59 11.040 7.879 2.720 1.00 1.05 H new ATOM 901 N ILE A 60 9.744 5.570 3.354 1.00 0.59 N ATOM 902 CA ILE A 60 8.536 5.053 2.650 1.00 0.57 C ATOM 903 C ILE A 60 7.568 4.423 3.656 1.00 0.52 C ATOM 904 O ILE A 60 7.930 4.128 4.777 1.00 0.63 O ATOM 905 CB ILE A 60 9.070 3.999 1.682 1.00 0.68 C ATOM 906 CG1 ILE A 60 9.749 2.878 2.473 1.00 1.46 C ATOM 907 CG2 ILE A 60 10.087 4.643 0.738 1.00 1.34 C ATOM 908 CD1 ILE A 60 10.261 1.808 1.507 1.00 1.60 C ATOM 0 H ILE A 60 10.631 5.171 3.045 1.00 0.59 H new ATOM 0 HA ILE A 60 7.986 5.840 2.134 1.00 0.57 H new ATOM 0 HB ILE A 60 8.244 3.587 1.102 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.576 3.281 3.058 1.00 1.46 H new ATOM 0 HG13 ILE A 60 9.044 2.438 3.179 1.00 1.46 H new ATOM 0 HG21 ILE A 60 10.469 3.891 0.047 1.00 1.34 H new ATOM 0 HG22 ILE A 60 9.605 5.443 0.175 1.00 1.34 H new ATOM 0 HG23 ILE A 60 10.913 5.054 1.319 1.00 1.34 H new ATOM 0 HD11 ILE A 60 10.744 1.010 2.071 1.00 1.60 H new ATOM 0 HD12 ILE A 60 9.424 1.397 0.942 1.00 1.60 H new ATOM 0 HD13 ILE A 60 10.980 2.253 0.819 1.00 1.60 H new ATOM 920 N ARG A 61 6.338 4.216 3.268 1.00 0.45 N ATOM 921 CA ARG A 61 5.356 3.609 4.212 1.00 0.45 C ATOM 922 C ARG A 61 4.343 2.741 3.458 1.00 0.41 C ATOM 923 O ARG A 61 3.935 3.056 2.357 1.00 0.55 O ATOM 924 CB ARG A 61 4.655 4.800 4.868 1.00 0.51 C ATOM 925 CG ARG A 61 5.268 5.060 6.245 1.00 0.75 C ATOM 926 CD ARG A 61 4.896 3.915 7.192 1.00 0.97 C ATOM 927 NE ARG A 61 4.844 4.536 8.545 1.00 1.30 N ATOM 928 CZ ARG A 61 3.788 4.375 9.295 1.00 1.66 C ATOM 929 NH1 ARG A 61 3.644 3.279 9.990 1.00 2.19 N ATOM 930 NH2 ARG A 61 2.879 5.309 9.352 1.00 2.21 N ATOM 0 H ARG A 61 5.972 4.440 2.343 1.00 0.45 H new ATOM 0 HA ARG A 61 5.839 2.960 4.942 1.00 0.45 H new ATOM 0 HB2 ARG A 61 4.756 5.685 4.240 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.588 4.599 4.966 1.00 0.51 H new ATOM 0 HG2 ARG A 61 6.352 5.141 6.163 1.00 0.75 H new ATOM 0 HG3 ARG A 61 4.906 6.008 6.643 1.00 0.75 H new ATOM 0 HD2 ARG A 61 3.936 3.476 6.922 1.00 0.97 H new ATOM 0 HD3 ARG A 61 5.635 3.115 7.153 1.00 0.97 H new ATOM 0 HE ARG A 61 5.633 5.086 8.885 1.00 1.30 H new ATOM 0 HH11 ARG A 61 4.356 2.550 9.946 1.00 2.19 H new ATOM 0 HH12 ARG A 61 2.819 3.152 10.577 1.00 2.19 H new ATOM 0 HH21 ARG A 61 2.993 6.166 8.810 1.00 2.21 H new ATOM 0 HH22 ARG A 61 2.054 5.183 9.938 1.00 2.21 H new ATOM 944 N LEU A 62 3.929 1.652 4.048 1.00 0.35 N ATOM 945 CA LEU A 62 2.936 0.762 3.377 1.00 0.36 C ATOM 946 C LEU A 62 1.565 0.918 4.041 1.00 0.32 C ATOM 947 O LEU A 62 1.466 1.303 5.192 1.00 0.38 O ATOM 948 CB LEU A 62 3.470 -0.657 3.581 1.00 0.48 C ATOM 949 CG LEU A 62 4.837 -0.793 2.907 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.932 -0.353 3.881 1.00 1.59 C ATOM 951 CD2 LEU A 62 5.065 -2.252 2.510 1.00 1.22 C ATOM 0 H LEU A 62 4.236 1.339 4.969 1.00 0.35 H new ATOM 0 HA LEU A 62 2.812 1.000 2.321 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.555 -0.875 4.646 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.773 -1.383 3.162 1.00 0.48 H new ATOM 0 HG LEU A 62 4.868 -0.164 2.017 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.906 -0.450 3.401 1.00 1.59 H new ATOM 0 HD12 LEU A 62 5.769 0.686 4.166 1.00 1.59 H new ATOM 0 HD13 LEU A 62 5.902 -0.982 4.771 1.00 1.59 H new ATOM 0 HD21 LEU A 62 6.038 -2.351 2.030 1.00 1.22 H new ATOM 0 HD22 LEU A 62 5.034 -2.880 3.400 1.00 1.22 H new ATOM 0 HD23 LEU A 62 4.285 -2.567 1.817 1.00 1.22 H new ATOM 963 N ALA A 63 0.504 0.626 3.336 1.00 0.30 N ATOM 964 CA ALA A 63 -0.846 0.769 3.959 1.00 0.32 C ATOM 965 C ALA A 63 -1.868 -0.164 3.295 1.00 0.31 C ATOM 966 O ALA A 63 -1.645 -0.681 2.217 1.00 0.37 O ATOM 967 CB ALA A 63 -1.229 2.233 3.737 1.00 0.37 C ATOM 0 H ALA A 63 0.511 0.299 2.370 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.833 0.500 5.015 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.213 2.421 4.167 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.493 2.878 4.217 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.254 2.444 2.668 1.00 0.37 H new ATOM 973 N LYS A 64 -2.993 -0.382 3.933 1.00 0.30 N ATOM 974 CA LYS A 64 -4.024 -1.281 3.335 1.00 0.32 C ATOM 975 C LYS A 64 -5.415 -0.648 3.436 1.00 0.32 C ATOM 976 O LYS A 64 -5.613 0.338 4.117 1.00 0.40 O ATOM 977 CB LYS A 64 -3.973 -2.563 4.166 1.00 0.38 C ATOM 978 CG LYS A 64 -2.545 -3.108 4.196 1.00 1.39 C ATOM 979 CD LYS A 64 -2.584 -4.611 4.482 1.00 1.60 C ATOM 980 CE LYS A 64 -2.130 -5.382 3.241 1.00 2.04 C ATOM 981 NZ LYS A 64 -3.385 -5.668 2.488 1.00 2.26 N ATOM 0 H LYS A 64 -3.239 0.022 4.837 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.831 -1.466 2.278 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -4.316 -2.363 5.181 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -4.647 -3.308 3.743 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -2.052 -2.920 3.242 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -1.964 -2.595 4.962 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -1.937 -4.848 5.326 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -3.594 -4.912 4.760 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -1.435 -4.793 2.642 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -1.614 -6.303 3.514 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -3.183 -6.336 1.717 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -4.088 -6.085 3.131 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -3.761 -4.783 2.091 1.00 2.26 H new ATOM 995 N VAL A 65 -6.380 -1.217 2.767 1.00 0.30 N ATOM 996 CA VAL A 65 -7.763 -0.659 2.826 1.00 0.32 C ATOM 997 C VAL A 65 -8.790 -1.794 2.854 1.00 0.31 C ATOM 998 O VAL A 65 -8.563 -2.863 2.323 1.00 0.36 O ATOM 999 CB VAL A 65 -7.924 0.167 1.550 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.354 0.716 1.476 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -6.930 1.328 1.564 1.00 0.70 C ATOM 0 H VAL A 65 -6.272 -2.045 2.181 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.920 -0.058 3.721 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.731 -0.463 0.682 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.471 1.305 0.567 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.062 -0.113 1.465 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.547 1.346 2.344 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.045 1.917 0.654 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.121 1.960 2.431 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -5.914 0.937 1.617 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.921 -1.565 3.460 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.966 -2.626 3.512 1.00 0.39 C ATOM 1013 C ASP A 66 -12.062 -2.331 2.485 1.00 0.40 C ATOM 1014 O ASP A 66 -12.970 -1.566 2.734 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.530 -2.563 4.931 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.493 -3.107 5.916 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -10.257 -4.305 5.898 1.00 1.30 O ATOM 1018 OD2 ASP A 66 -9.951 -2.317 6.672 1.00 1.38 O ATOM 0 H ASP A 66 -10.167 -0.689 3.922 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.566 -3.613 3.280 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.786 -1.535 5.187 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.449 -3.146 4.995 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.978 -2.932 1.327 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.011 -2.689 0.274 1.00 0.46 C ATOM 1025 C ALA A 67 -14.422 -2.812 0.862 1.00 0.51 C ATOM 1026 O ALA A 67 -15.360 -2.208 0.383 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.770 -3.778 -0.772 1.00 0.51 C ATOM 0 H ALA A 67 -11.237 -3.582 1.064 1.00 0.40 H new ATOM 0 HA ALA A 67 -12.936 -1.687 -0.149 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.490 -3.670 -1.583 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.759 -3.683 -1.169 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.888 -4.758 -0.310 1.00 0.51 H new ATOM 1033 N THR A 68 -14.574 -3.586 1.901 1.00 0.53 N ATOM 1034 CA THR A 68 -15.921 -3.741 2.525 1.00 0.62 C ATOM 1035 C THR A 68 -16.102 -2.719 3.650 1.00 0.64 C ATOM 1036 O THR A 68 -16.938 -2.877 4.517 1.00 0.86 O ATOM 1037 CB THR A 68 -15.935 -5.164 3.086 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.783 -5.363 3.893 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.934 -6.170 1.935 1.00 1.35 C ATOM 0 H THR A 68 -13.826 -4.118 2.345 1.00 0.53 H new ATOM 0 HA THR A 68 -16.729 -3.576 1.812 1.00 0.62 H new ATOM 0 HB THR A 68 -16.832 -5.308 3.689 1.00 0.66 H new ATOM 0 HG1 THR A 68 -15.043 -5.795 4.733 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.944 -7.183 2.337 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.818 -6.016 1.317 1.00 1.35 H new ATOM 0 HG23 THR A 68 -15.039 -6.029 1.329 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.323 -1.670 3.644 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.450 -0.637 4.711 1.00 0.61 C ATOM 1049 C GLU A 69 -15.256 0.759 4.114 1.00 0.57 C ATOM 1050 O GLU A 69 -16.025 1.663 4.368 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.335 -0.955 5.707 1.00 0.63 C ATOM 1052 CG GLU A 69 -14.846 -0.723 7.131 1.00 0.83 C ATOM 1053 CD GLU A 69 -14.155 0.506 7.725 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -13.817 1.397 6.963 1.00 2.22 O ATOM 1055 OE2 GLU A 69 -13.975 0.534 8.931 1.00 2.10 O ATOM 0 H GLU A 69 -14.604 -1.485 2.945 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.432 -0.648 5.185 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.010 -1.989 5.589 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.467 -0.324 5.513 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -15.926 -0.578 7.122 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -14.647 -1.599 7.748 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.234 0.940 3.322 1.00 0.52 N ATOM 1063 CA GLU A 70 -13.999 2.278 2.710 1.00 0.57 C ATOM 1064 C GLU A 70 -13.965 2.161 1.184 1.00 0.72 C ATOM 1065 O GLU A 70 -13.077 2.670 0.530 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.639 2.724 3.248 1.00 0.71 C ATOM 1067 CG GLU A 70 -12.740 2.946 4.758 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.873 1.914 5.482 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -12.090 0.733 5.267 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -11.006 2.321 6.238 1.00 1.89 O ATOM 0 H GLU A 70 -13.554 0.222 3.073 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.786 2.991 2.955 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -11.884 1.969 3.030 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.323 3.643 2.754 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -12.413 3.954 5.011 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -13.777 2.857 5.081 1.00 1.05 H new ATOM 1077 N SER A 71 -14.929 1.491 0.613 1.00 0.55 N ATOM 1078 CA SER A 71 -14.957 1.338 -0.873 1.00 0.66 C ATOM 1079 C SER A 71 -15.156 2.700 -1.546 1.00 0.70 C ATOM 1080 O SER A 71 -14.923 2.856 -2.728 1.00 0.94 O ATOM 1081 CB SER A 71 -16.146 0.415 -1.185 1.00 0.79 C ATOM 1082 OG SER A 71 -16.690 -0.119 0.018 1.00 1.48 O ATOM 0 H SER A 71 -15.699 1.043 1.110 1.00 0.55 H new ATOM 0 HA SER A 71 -14.020 0.924 -1.246 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.914 0.970 -1.724 1.00 0.79 H new ATOM 0 HB3 SER A 71 -15.823 -0.397 -1.837 1.00 0.79 H new ATOM 0 HG SER A 71 -16.394 -1.047 0.128 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.586 3.690 -0.807 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.800 5.038 -1.413 1.00 0.71 C ATOM 1090 C ASP A 72 -14.562 5.474 -2.202 1.00 0.68 C ATOM 1091 O ASP A 72 -14.651 6.223 -3.155 1.00 0.77 O ATOM 1092 CB ASP A 72 -16.035 5.972 -0.226 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.536 6.098 0.035 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -18.231 6.591 -0.838 1.00 1.57 O ATOM 1095 OD2 ASP A 72 -17.966 5.697 1.104 1.00 1.83 O ATOM 0 H ASP A 72 -15.798 3.623 0.189 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.636 5.045 -2.112 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.532 5.585 0.660 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.607 6.953 -0.432 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.406 5.010 -1.813 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.163 5.396 -2.542 1.00 0.68 C ATOM 1102 C LEU A 73 -11.812 4.328 -3.580 1.00 0.60 C ATOM 1103 O LEU A 73 -11.350 4.628 -4.664 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.075 5.477 -1.469 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.528 6.414 -0.344 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.768 5.600 0.929 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.443 7.459 -0.085 1.00 0.97 C ATOM 0 H LEU A 73 -13.268 4.381 -1.022 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.275 6.340 -3.076 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -10.871 4.484 -1.068 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -10.145 5.841 -1.907 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.452 6.914 -0.635 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -12.090 6.265 1.731 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -12.541 4.854 0.744 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -10.844 5.101 1.221 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.764 8.126 0.715 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.519 6.960 0.208 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -10.271 8.037 -0.993 1.00 0.97 H new ATOM 1119 N ALA A 74 -12.029 3.086 -3.256 1.00 0.57 N ATOM 1120 CA ALA A 74 -11.711 1.994 -4.221 1.00 0.56 C ATOM 1121 C ALA A 74 -12.604 2.111 -5.458 1.00 0.59 C ATOM 1122 O ALA A 74 -12.159 1.941 -6.576 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.006 0.699 -3.463 1.00 0.60 C ATOM 0 H ALA A 74 -12.414 2.777 -2.363 1.00 0.57 H new ATOM 0 HA ALA A 74 -10.679 2.034 -4.569 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -11.797 -0.155 -4.107 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.377 0.646 -2.574 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.055 0.682 -3.167 1.00 0.60 H new ATOM 1129 N GLN A 75 -13.861 2.403 -5.267 1.00 0.64 N ATOM 1130 CA GLN A 75 -14.779 2.533 -6.433 1.00 0.76 C ATOM 1131 C GLN A 75 -14.305 3.663 -7.349 1.00 0.78 C ATOM 1132 O GLN A 75 -14.425 3.590 -8.556 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.144 2.868 -5.829 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.170 3.054 -6.949 1.00 1.42 C ATOM 1135 CD GLN A 75 -17.361 1.730 -7.693 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -18.304 1.007 -7.438 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -16.500 1.381 -8.609 1.00 2.40 N ATOM 0 H GLN A 75 -14.292 2.557 -4.355 1.00 0.64 H new ATOM 0 HA GLN A 75 -14.814 1.626 -7.036 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.463 2.069 -5.159 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.075 3.777 -5.231 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -18.120 3.390 -6.534 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -16.833 3.826 -7.640 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -15.709 1.988 -8.823 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -16.618 0.501 -9.111 1.00 2.40 H new ATOM 1146 N GLN A 76 -13.763 4.707 -6.784 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.277 5.837 -7.625 1.00 0.84 C ATOM 1148 C GLN A 76 -12.203 5.339 -8.593 1.00 0.83 C ATOM 1149 O GLN A 76 -12.100 5.795 -9.714 1.00 0.94 O ATOM 1150 CB GLN A 76 -12.683 6.840 -6.636 1.00 0.89 C ATOM 1151 CG GLN A 76 -13.811 7.645 -5.988 1.00 1.14 C ATOM 1152 CD GLN A 76 -13.373 9.103 -5.833 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -12.229 9.436 -6.072 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -14.241 9.994 -5.439 1.00 1.97 N ATOM 0 H GLN A 76 -13.636 4.826 -5.779 1.00 0.76 H new ATOM 0 HA GLN A 76 -14.071 6.281 -8.225 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -12.109 6.317 -5.871 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -11.993 7.509 -7.150 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -14.711 7.588 -6.600 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -14.060 7.223 -5.014 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -15.202 9.716 -5.238 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -13.959 10.968 -5.332 1.00 1.97 H new ATOM 1163 N TYR A 77 -11.404 4.402 -8.165 1.00 0.74 N ATOM 1164 CA TYR A 77 -10.336 3.868 -9.053 1.00 0.81 C ATOM 1165 C TYR A 77 -10.880 2.713 -9.896 1.00 0.83 C ATOM 1166 O TYR A 77 -10.754 2.696 -11.104 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.246 3.370 -8.104 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.553 4.551 -7.466 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -7.725 5.376 -8.235 1.00 1.42 C ATOM 1170 CD2 TYR A 77 -8.739 4.820 -6.104 1.00 1.18 C ATOM 1171 CE1 TYR A 77 -7.083 6.470 -7.643 1.00 1.56 C ATOM 1172 CE2 TYR A 77 -8.096 5.914 -5.512 1.00 1.19 C ATOM 1173 CZ TYR A 77 -7.268 6.739 -6.282 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.634 7.818 -5.700 1.00 1.22 O ATOM 0 H TYR A 77 -11.445 3.982 -7.236 1.00 0.74 H new ATOM 0 HA TYR A 77 -9.961 4.620 -9.747 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -9.682 2.732 -7.335 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -8.524 2.763 -8.650 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -7.581 5.169 -9.285 1.00 1.42 H new ATOM 0 HD2 TYR A 77 -9.378 4.184 -5.510 1.00 1.18 H new ATOM 0 HE1 TYR A 77 -6.444 7.107 -8.237 1.00 1.56 H new ATOM 0 HE2 TYR A 77 -8.239 6.121 -4.462 1.00 1.19 H new ATOM 0 HH TYR A 77 -5.707 7.578 -5.489 1.00 1.22 H new ATOM 1184 N GLY A 78 -11.480 1.747 -9.263 1.00 0.78 N ATOM 1185 CA GLY A 78 -12.029 0.586 -10.017 1.00 0.87 C ATOM 1186 C GLY A 78 -11.353 -0.688 -9.516 1.00 0.88 C ATOM 1187 O GLY A 78 -11.013 -1.569 -10.278 1.00 1.52 O ATOM 0 H GLY A 78 -11.615 1.710 -8.253 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -13.108 0.521 -9.877 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -11.853 0.712 -11.085 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.149 -0.779 -8.232 1.00 0.80 N ATOM 1192 CA VAL A 79 -10.486 -1.983 -7.661 1.00 0.79 C ATOM 1193 C VAL A 79 -11.532 -2.986 -7.170 1.00 1.13 C ATOM 1194 O VAL A 79 -11.983 -2.927 -6.044 1.00 1.54 O ATOM 1195 CB VAL A 79 -9.662 -1.444 -6.494 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -8.878 -2.585 -5.854 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -8.686 -0.387 -7.009 1.00 0.72 C ATOM 0 H VAL A 79 -11.414 -0.068 -7.551 1.00 0.80 H new ATOM 0 HA VAL A 79 -9.872 -2.510 -8.391 1.00 0.79 H new ATOM 0 HB VAL A 79 -10.328 -1.000 -5.754 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -8.290 -2.200 -5.021 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -9.571 -3.343 -5.489 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -8.212 -3.029 -6.594 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -8.096 -0.000 -6.178 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -8.021 -0.835 -7.748 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -9.243 0.429 -7.469 1.00 0.72 H new ATOM 1207 N ARG A 80 -11.921 -3.904 -8.010 1.00 1.27 N ATOM 1208 CA ARG A 80 -12.934 -4.910 -7.606 1.00 1.72 C ATOM 1209 C ARG A 80 -12.285 -6.309 -7.541 1.00 1.38 C ATOM 1210 O ARG A 80 -12.890 -7.256 -7.078 1.00 1.87 O ATOM 1211 CB ARG A 80 -14.005 -4.805 -8.710 1.00 2.38 C ATOM 1212 CG ARG A 80 -14.770 -6.121 -8.863 1.00 2.85 C ATOM 1213 CD ARG A 80 -16.051 -5.883 -9.666 1.00 3.49 C ATOM 1214 NE ARG A 80 -17.145 -5.887 -8.656 1.00 4.06 N ATOM 1215 CZ ARG A 80 -18.390 -5.893 -9.044 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -18.864 -4.893 -9.736 1.00 5.09 N ATOM 1217 NH2 ARG A 80 -19.163 -6.902 -8.742 1.00 5.25 N ATOM 0 H ARG A 80 -11.576 -3.999 -8.965 1.00 1.27 H new ATOM 0 HA ARG A 80 -13.361 -4.743 -6.617 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -14.702 -4.002 -8.470 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -13.532 -4.544 -9.656 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -14.146 -6.859 -9.366 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -15.015 -6.527 -7.881 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -16.011 -4.934 -10.201 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -16.200 -6.663 -10.412 1.00 3.49 H new ATOM 0 HE ARG A 80 -16.921 -5.885 -7.661 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -18.260 -4.106 -9.974 1.00 5.09 H new ATOM 0 HH12 ARG A 80 -19.838 -4.899 -10.039 1.00 5.09 H new ATOM 0 HH21 ARG A 80 -18.793 -7.685 -8.203 1.00 5.25 H new ATOM 0 HH22 ARG A 80 -20.137 -6.907 -9.045 1.00 5.25 H new ATOM 1231 N GLY A 81 -11.068 -6.447 -8.000 1.00 0.87 N ATOM 1232 CA GLY A 81 -10.409 -7.784 -7.957 1.00 0.81 C ATOM 1233 C GLY A 81 -9.266 -7.761 -6.940 1.00 0.74 C ATOM 1234 O GLY A 81 -8.139 -7.443 -7.265 1.00 1.17 O ATOM 0 H GLY A 81 -10.506 -5.696 -8.400 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -11.135 -8.550 -7.685 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -10.026 -8.044 -8.944 1.00 0.81 H new ATOM 1238 N TYR A 82 -9.547 -8.096 -5.710 1.00 0.61 N ATOM 1239 CA TYR A 82 -8.476 -8.095 -4.670 1.00 0.52 C ATOM 1240 C TYR A 82 -7.663 -9.399 -4.769 1.00 0.54 C ATOM 1241 O TYR A 82 -8.145 -10.368 -5.320 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.204 -8.024 -3.316 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.328 -7.009 -3.357 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.063 -5.674 -3.687 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -11.638 -7.409 -3.064 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -11.107 -4.741 -3.723 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -12.681 -6.476 -3.100 1.00 1.04 C ATOM 1248 CZ TYR A 82 -12.415 -5.142 -3.429 1.00 0.75 C ATOM 1249 OH TYR A 82 -13.443 -4.224 -3.466 1.00 0.85 O ATOM 0 H TYR A 82 -10.472 -8.371 -5.379 1.00 0.61 H new ATOM 0 HA TYR A 82 -7.786 -7.260 -4.794 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -9.605 -9.006 -3.062 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -8.496 -7.756 -2.532 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -9.054 -5.364 -3.914 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -11.844 -8.438 -2.810 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -10.902 -3.712 -3.978 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -13.691 -6.786 -2.874 1.00 1.04 H new ATOM 0 HH TYR A 82 -13.302 -3.605 -4.213 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.453 -9.399 -4.239 1.00 0.54 N ATOM 1260 CA PRO A 83 -5.871 -8.207 -3.564 1.00 0.51 C ATOM 1261 C PRO A 83 -5.313 -7.227 -4.600 1.00 0.51 C ATOM 1262 O PRO A 83 -4.593 -7.608 -5.501 1.00 0.63 O ATOM 1263 CB PRO A 83 -4.738 -8.787 -2.726 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.342 -10.055 -3.420 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.525 -10.536 -4.223 1.00 0.64 C ATOM 0 HA PRO A 83 -6.602 -7.655 -2.973 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -3.899 -8.094 -2.665 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.065 -8.983 -1.705 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.485 -9.882 -4.071 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.043 -10.810 -2.693 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.229 -10.819 -5.233 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -5.982 -11.414 -3.767 1.00 0.64 H new ATOM 1273 N THR A 84 -5.631 -5.969 -4.475 1.00 0.45 N ATOM 1274 CA THR A 84 -5.106 -4.971 -5.450 1.00 0.45 C ATOM 1275 C THR A 84 -4.218 -3.956 -4.727 1.00 0.43 C ATOM 1276 O THR A 84 -4.672 -3.213 -3.878 1.00 0.52 O ATOM 1277 CB THR A 84 -6.347 -4.289 -6.020 1.00 0.48 C ATOM 1278 OG1 THR A 84 -7.191 -5.265 -6.618 1.00 0.67 O ATOM 1279 CG2 THR A 84 -5.929 -3.259 -7.070 1.00 0.56 C ATOM 0 H THR A 84 -6.230 -5.589 -3.742 1.00 0.45 H new ATOM 0 HA THR A 84 -4.499 -5.428 -6.231 1.00 0.45 H new ATOM 0 HB THR A 84 -6.886 -3.786 -5.217 1.00 0.48 H new ATOM 0 HG1 THR A 84 -6.713 -6.118 -6.678 1.00 0.67 H new ATOM 0 HG21 THR A 84 -6.816 -2.773 -7.476 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.284 -2.511 -6.609 1.00 0.56 H new ATOM 0 HG23 THR A 84 -5.388 -3.758 -7.874 1.00 0.56 H new ATOM 1287 N ILE A 85 -2.954 -3.923 -5.048 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.040 -2.959 -4.368 1.00 0.41 C ATOM 1289 C ILE A 85 -1.866 -1.694 -5.214 1.00 0.41 C ATOM 1290 O ILE A 85 -1.915 -1.730 -6.427 1.00 0.54 O ATOM 1291 CB ILE A 85 -0.711 -3.702 -4.235 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -0.934 -5.018 -3.486 1.00 0.89 C ATOM 1293 CG2 ILE A 85 0.284 -2.840 -3.456 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -0.289 -6.164 -4.268 1.00 1.27 C ATOM 0 H ILE A 85 -2.514 -4.519 -5.749 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.429 -2.638 -3.402 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.313 -3.909 -5.229 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -0.503 -4.958 -2.486 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.001 -5.203 -3.363 1.00 0.89 H new ATOM 0 HG21 ILE A 85 1.231 -3.372 -3.362 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.446 -1.902 -3.986 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.115 -2.631 -2.463 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -0.447 -7.102 -3.736 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -0.740 -6.228 -5.258 1.00 1.27 H new ATOM 0 HD13 ILE A 85 0.781 -5.979 -4.368 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.660 -0.575 -4.575 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.477 0.699 -5.329 1.00 0.40 C ATOM 1308 C LYS A 86 -0.378 1.541 -4.672 1.00 0.38 C ATOM 1309 O LYS A 86 -0.196 1.511 -3.472 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.827 1.412 -5.238 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.256 1.875 -6.632 1.00 0.94 C ATOM 1312 CD LYS A 86 -3.782 0.679 -7.429 1.00 1.03 C ATOM 1313 CE LYS A 86 -4.002 1.091 -8.885 1.00 1.37 C ATOM 1314 NZ LYS A 86 -5.300 1.824 -8.884 1.00 1.73 N ATOM 0 H LYS A 86 -1.610 -0.487 -3.560 1.00 0.37 H new ATOM 0 HA LYS A 86 -1.177 0.531 -6.363 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.577 0.741 -4.820 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.754 2.267 -4.566 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -4.029 2.639 -6.551 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -2.412 2.329 -7.152 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -3.072 -0.146 -7.377 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -4.717 0.323 -6.996 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -3.191 1.725 -9.243 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -4.040 0.221 -9.540 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -5.939 1.399 -9.586 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -5.733 1.763 -7.940 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -5.135 2.822 -9.125 1.00 1.73 H new ATOM 1328 N PHE A 87 0.357 2.289 -5.449 1.00 0.37 N ATOM 1329 CA PHE A 87 1.444 3.127 -4.864 1.00 0.36 C ATOM 1330 C PHE A 87 1.208 4.608 -5.183 1.00 0.33 C ATOM 1331 O PHE A 87 0.992 4.982 -6.320 1.00 0.37 O ATOM 1332 CB PHE A 87 2.729 2.623 -5.533 1.00 0.42 C ATOM 1333 CG PHE A 87 3.893 3.518 -5.163 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.046 3.961 -3.844 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.815 3.904 -6.143 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.122 4.790 -3.506 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.890 4.733 -5.804 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.044 5.176 -4.486 1.00 0.72 C ATOM 0 H PHE A 87 0.253 2.357 -6.461 1.00 0.37 H new ATOM 0 HA PHE A 87 1.491 3.048 -3.778 1.00 0.36 H new ATOM 0 HB2 PHE A 87 2.934 1.599 -5.220 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.602 2.606 -6.616 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.335 3.663 -3.088 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.697 3.562 -7.161 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.241 5.132 -2.489 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.601 5.031 -6.560 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.874 5.816 -4.225 1.00 0.72 H new ATOM 1348 N PHE A 88 1.252 5.453 -4.188 1.00 0.33 N ATOM 1349 CA PHE A 88 1.036 6.907 -4.432 1.00 0.35 C ATOM 1350 C PHE A 88 2.337 7.678 -4.180 1.00 0.42 C ATOM 1351 O PHE A 88 3.225 7.206 -3.499 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.037 7.313 -3.424 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.402 6.995 -3.990 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.810 5.663 -4.129 1.00 0.63 C ATOM 1355 CD2 PHE A 88 -2.257 8.032 -4.374 1.00 0.54 C ATOM 1356 CE1 PHE A 88 -3.075 5.370 -4.653 1.00 0.73 C ATOM 1357 CE2 PHE A 88 -3.522 7.740 -4.897 1.00 0.62 C ATOM 1358 CZ PHE A 88 -3.931 6.409 -5.036 1.00 0.62 C ATOM 0 H PHE A 88 1.428 5.198 -3.216 1.00 0.33 H new ATOM 0 HA PHE A 88 0.734 7.122 -5.457 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.112 6.782 -2.484 1.00 0.39 H new ATOM 0 HB3 PHE A 88 0.039 8.378 -3.204 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.149 4.862 -3.832 1.00 0.63 H new ATOM 0 HD2 PHE A 88 -1.941 9.059 -4.267 1.00 0.54 H new ATOM 0 HE1 PHE A 88 -3.390 4.343 -4.762 1.00 0.73 H new ATOM 0 HE2 PHE A 88 -4.182 8.542 -5.193 1.00 0.62 H new ATOM 0 HZ PHE A 88 -4.907 6.183 -5.439 1.00 0.62 H new ATOM 1368 N ARG A 89 2.458 8.858 -4.728 1.00 0.47 N ATOM 1369 CA ARG A 89 3.708 9.649 -4.518 1.00 0.55 C ATOM 1370 C ARG A 89 3.380 11.126 -4.273 1.00 0.64 C ATOM 1371 O ARG A 89 2.791 11.788 -5.104 1.00 1.05 O ATOM 1372 CB ARG A 89 4.501 9.485 -5.815 1.00 0.73 C ATOM 1373 CG ARG A 89 5.905 10.065 -5.632 1.00 1.15 C ATOM 1374 CD ARG A 89 6.790 9.643 -6.807 1.00 1.42 C ATOM 1375 NE ARG A 89 6.372 10.519 -7.938 1.00 1.73 N ATOM 1376 CZ ARG A 89 6.839 10.303 -9.138 1.00 2.07 C ATOM 1377 NH1 ARG A 89 6.924 9.084 -9.596 1.00 2.56 N ATOM 1378 NH2 ARG A 89 7.222 11.306 -9.880 1.00 2.43 N ATOM 0 H ARG A 89 1.750 9.307 -5.309 1.00 0.47 H new ATOM 0 HA ARG A 89 4.267 9.306 -3.647 1.00 0.55 H new ATOM 0 HB2 ARG A 89 4.564 8.431 -6.084 1.00 0.73 H new ATOM 0 HB3 ARG A 89 3.990 9.993 -6.633 1.00 0.73 H new ATOM 0 HG2 ARG A 89 5.856 11.152 -5.572 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.336 9.714 -4.694 1.00 1.15 H new ATOM 0 HD2 ARG A 89 7.846 9.777 -6.574 1.00 1.42 H new ATOM 0 HD3 ARG A 89 6.648 8.590 -7.050 1.00 1.42 H new ATOM 0 HE ARG A 89 5.721 11.287 -7.775 1.00 1.73 H new ATOM 0 HH11 ARG A 89 6.626 8.299 -9.016 1.00 2.56 H new ATOM 0 HH12 ARG A 89 7.289 8.916 -10.534 1.00 2.56 H new ATOM 0 HH21 ARG A 89 7.157 12.259 -9.522 1.00 2.43 H new ATOM 0 HH22 ARG A 89 7.587 11.137 -10.817 1.00 2.43 H new ATOM 1392 N ASN A 90 3.765 11.647 -3.137 1.00 0.57 N ATOM 1393 CA ASN A 90 3.489 13.084 -2.831 1.00 0.68 C ATOM 1394 C ASN A 90 2.029 13.441 -3.140 1.00 0.69 C ATOM 1395 O ASN A 90 1.747 14.227 -4.023 1.00 0.98 O ATOM 1396 CB ASN A 90 4.434 13.867 -3.742 1.00 0.87 C ATOM 1397 CG ASN A 90 4.401 15.348 -3.360 1.00 1.10 C ATOM 1398 OD1 ASN A 90 3.363 15.874 -3.009 1.00 1.65 O ATOM 1399 ND2 ASN A 90 5.501 16.049 -3.414 1.00 1.74 N ATOM 0 H ASN A 90 4.260 11.138 -2.405 1.00 0.57 H new ATOM 0 HA ASN A 90 3.645 13.312 -1.777 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.449 13.479 -3.650 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.138 13.743 -4.784 1.00 0.87 H new ATOM 0 HD21 ASN A 90 5.489 17.037 -3.162 1.00 1.74 H new ATOM 0 HD22 ASN A 90 6.373 15.608 -3.708 1.00 1.74 H new ATOM 1406 N GLY A 91 1.099 12.876 -2.416 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.340 13.189 -2.665 1.00 0.75 C ATOM 1408 C GLY A 91 -0.661 13.005 -4.149 1.00 0.79 C ATOM 1409 O GLY A 91 -1.016 13.938 -4.840 1.00 1.19 O ATOM 0 H GLY A 91 1.273 12.211 -1.663 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -0.973 12.537 -2.063 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.557 14.213 -2.361 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.537 11.807 -4.640 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.832 11.556 -6.080 1.00 1.27 C ATOM 1415 C ASP A 92 -2.296 11.886 -6.386 1.00 1.14 C ATOM 1416 O ASP A 92 -2.589 12.799 -7.131 1.00 1.70 O ATOM 1417 CB ASP A 92 -0.559 10.066 -6.289 1.00 1.93 C ATOM 1418 CG ASP A 92 0.472 9.890 -7.406 1.00 2.15 C ATOM 1419 OD1 ASP A 92 0.379 10.607 -8.388 1.00 2.41 O ATOM 1420 OD2 ASP A 92 1.335 9.040 -7.260 1.00 2.68 O ATOM 0 H ASP A 92 -0.244 10.988 -4.108 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.224 12.175 -6.740 1.00 1.27 H new ATOM 0 HB2 ASP A 92 -0.191 9.619 -5.365 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -1.483 9.548 -6.547 1.00 1.93 H new ATOM 1425 N THR A 93 -3.213 11.142 -5.812 1.00 0.96 N ATOM 1426 CA THR A 93 -4.672 11.390 -6.053 1.00 1.33 C ATOM 1427 C THR A 93 -4.950 11.664 -7.536 1.00 1.26 C ATOM 1428 O THR A 93 -5.850 12.404 -7.882 1.00 1.90 O ATOM 1429 CB THR A 93 -5.021 12.616 -5.202 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.153 13.690 -5.531 1.00 2.10 O ATOM 1431 CG2 THR A 93 -4.868 12.271 -3.720 1.00 1.92 C ATOM 0 H THR A 93 -3.011 10.366 -5.181 1.00 0.96 H new ATOM 0 HA THR A 93 -5.274 10.522 -5.785 1.00 1.33 H new ATOM 0 HB THR A 93 -6.051 12.911 -5.402 1.00 1.74 H new ATOM 0 HG1 THR A 93 -3.845 13.590 -6.456 1.00 2.10 H new ATOM 0 HG21 THR A 93 -5.116 13.144 -3.116 1.00 1.92 H new ATOM 0 HG22 THR A 93 -5.539 11.451 -3.466 1.00 1.92 H new ATOM 0 HG23 THR A 93 -3.839 11.972 -3.520 1.00 1.92 H new ATOM 1439 N ALA A 94 -4.185 11.074 -8.412 1.00 1.18 N ATOM 1440 CA ALA A 94 -4.408 11.303 -9.870 1.00 1.18 C ATOM 1441 C ALA A 94 -3.731 10.204 -10.692 1.00 1.14 C ATOM 1442 O ALA A 94 -4.381 9.349 -11.258 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.771 12.662 -10.158 1.00 1.24 C ATOM 0 H ALA A 94 -3.416 10.444 -8.184 1.00 1.18 H new ATOM 0 HA ALA A 94 -5.466 11.284 -10.133 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.893 12.904 -11.214 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -4.256 13.427 -9.552 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.709 12.625 -9.914 1.00 1.24 H new ATOM 1449 N SER A 95 -2.431 10.225 -10.764 1.00 1.20 N ATOM 1450 CA SER A 95 -1.713 9.184 -11.554 1.00 1.22 C ATOM 1451 C SER A 95 -0.960 8.225 -10.621 1.00 0.98 C ATOM 1452 O SER A 95 0.243 8.321 -10.481 1.00 0.98 O ATOM 1453 CB SER A 95 -0.729 9.960 -12.431 1.00 1.48 C ATOM 1454 OG SER A 95 -1.400 11.051 -13.042 1.00 2.01 O ATOM 0 H SER A 95 -1.833 10.916 -10.311 1.00 1.20 H new ATOM 0 HA SER A 95 -2.397 8.575 -12.145 1.00 1.22 H new ATOM 0 HB2 SER A 95 0.104 10.323 -11.829 1.00 1.48 H new ATOM 0 HB3 SER A 95 -0.309 9.304 -13.194 1.00 1.48 H new ATOM 0 HG SER A 95 -0.770 11.550 -13.603 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.693 7.325 -10.010 1.00 0.87 N ATOM 1461 CA PRO A 96 -1.070 6.343 -9.087 1.00 0.72 C ATOM 1462 C PRO A 96 -0.300 5.284 -9.883 1.00 0.65 C ATOM 1463 O PRO A 96 -0.580 5.040 -11.039 1.00 0.79 O ATOM 1464 CB PRO A 96 -2.261 5.718 -8.368 1.00 0.79 C ATOM 1465 CG PRO A 96 -3.415 5.894 -9.304 1.00 0.97 C ATOM 1466 CD PRO A 96 -3.148 7.133 -10.118 1.00 1.02 C ATOM 0 HA PRO A 96 -0.354 6.794 -8.400 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -2.084 4.664 -8.154 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -2.448 6.210 -7.414 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.520 5.024 -9.952 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -4.348 5.993 -8.749 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.457 7.003 -11.155 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.694 7.992 -9.728 1.00 1.02 H new ATOM 1474 N LYS A 97 0.666 4.654 -9.276 1.00 0.55 N ATOM 1475 CA LYS A 97 1.447 3.611 -10.004 1.00 0.57 C ATOM 1476 C LYS A 97 1.070 2.216 -9.496 1.00 0.53 C ATOM 1477 O LYS A 97 1.445 1.818 -8.412 1.00 0.89 O ATOM 1478 CB LYS A 97 2.912 3.919 -9.687 1.00 0.68 C ATOM 1479 CG LYS A 97 3.559 4.606 -10.892 1.00 0.85 C ATOM 1480 CD LYS A 97 3.660 3.615 -12.052 1.00 1.63 C ATOM 1481 CE LYS A 97 3.335 4.331 -13.366 1.00 2.05 C ATOM 1482 NZ LYS A 97 4.639 4.439 -14.078 1.00 2.61 N ATOM 0 H LYS A 97 0.950 4.814 -8.309 1.00 0.55 H new ATOM 0 HA LYS A 97 1.251 3.622 -11.076 1.00 0.57 H new ATOM 0 HB2 LYS A 97 2.978 4.562 -8.809 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.445 2.999 -9.449 1.00 0.68 H new ATOM 0 HG2 LYS A 97 2.968 5.472 -11.190 1.00 0.85 H new ATOM 0 HG3 LYS A 97 4.550 4.973 -10.626 1.00 0.85 H new ATOM 0 HD2 LYS A 97 4.663 3.191 -12.095 1.00 1.63 H new ATOM 0 HD3 LYS A 97 2.970 2.786 -11.897 1.00 1.63 H new ATOM 0 HE2 LYS A 97 2.610 3.768 -13.954 1.00 2.05 H new ATOM 0 HE3 LYS A 97 2.902 5.315 -13.183 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 4.498 4.920 -14.989 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 5.307 4.986 -13.498 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 5.024 3.487 -14.244 1.00 2.61 H new ATOM 1496 N GLU A 98 0.327 1.473 -10.271 1.00 0.51 N ATOM 1497 CA GLU A 98 -0.076 0.106 -9.830 1.00 0.48 C ATOM 1498 C GLU A 98 1.157 -0.786 -9.667 1.00 0.45 C ATOM 1499 O GLU A 98 2.238 -0.456 -10.113 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.974 -0.424 -10.949 1.00 0.61 C ATOM 1501 CG GLU A 98 -0.189 -0.458 -12.260 1.00 1.33 C ATOM 1502 CD GLU A 98 -0.892 0.419 -13.300 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -1.132 1.578 -13.002 1.00 2.79 O ATOM 1504 OE2 GLU A 98 -1.175 -0.083 -14.375 1.00 2.61 O ATOM 0 H GLU A 98 -0.018 1.753 -11.189 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.587 0.120 -8.867 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -1.331 -1.423 -10.701 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -1.853 0.211 -11.056 1.00 0.61 H new ATOM 0 HG2 GLU A 98 0.828 -0.102 -12.096 1.00 1.33 H new ATOM 0 HG3 GLU A 98 -0.113 -1.483 -12.624 1.00 1.33 H new ATOM 1511 N TYR A 99 1.002 -1.914 -9.029 1.00 0.45 N ATOM 1512 CA TYR A 99 2.163 -2.831 -8.834 1.00 0.46 C ATOM 1513 C TYR A 99 2.128 -3.960 -9.867 1.00 0.53 C ATOM 1514 O TYR A 99 1.099 -4.558 -10.111 1.00 0.67 O ATOM 1515 CB TYR A 99 1.989 -3.392 -7.423 1.00 0.52 C ATOM 1516 CG TYR A 99 3.181 -3.012 -6.578 1.00 0.64 C ATOM 1517 CD1 TYR A 99 3.177 -1.809 -5.862 1.00 1.58 C ATOM 1518 CD2 TYR A 99 4.291 -3.865 -6.510 1.00 1.20 C ATOM 1519 CE1 TYR A 99 4.284 -1.457 -5.079 1.00 2.05 C ATOM 1520 CE2 TYR A 99 5.396 -3.512 -5.727 1.00 1.49 C ATOM 1521 CZ TYR A 99 5.390 -2.309 -5.008 1.00 1.70 C ATOM 1522 OH TYR A 99 6.484 -1.963 -4.240 1.00 2.27 O ATOM 0 H TYR A 99 0.121 -2.241 -8.634 1.00 0.45 H new ATOM 0 HA TYR A 99 3.118 -2.319 -8.957 1.00 0.46 H new ATOM 0 HB2 TYR A 99 1.074 -3.003 -6.976 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.888 -4.477 -7.462 1.00 0.52 H new ATOM 0 HD1 TYR A 99 2.321 -1.153 -5.913 1.00 1.58 H new ATOM 0 HD2 TYR A 99 4.294 -4.794 -7.061 1.00 1.20 H new ATOM 0 HE1 TYR A 99 4.283 -0.527 -4.530 1.00 2.05 H new ATOM 0 HE2 TYR A 99 6.253 -4.167 -5.677 1.00 1.49 H new ATOM 0 HH TYR A 99 6.942 -2.775 -3.939 1.00 2.27 H new ATOM 1532 N THR A 100 3.244 -4.257 -10.474 1.00 0.60 N ATOM 1533 CA THR A 100 3.273 -5.349 -11.489 1.00 0.72 C ATOM 1534 C THR A 100 3.824 -6.639 -10.870 1.00 0.83 C ATOM 1535 O THR A 100 4.231 -7.547 -11.568 1.00 1.71 O ATOM 1536 CB THR A 100 4.208 -4.842 -12.587 1.00 0.93 C ATOM 1537 OG1 THR A 100 5.265 -4.096 -11.998 1.00 1.36 O ATOM 1538 CG2 THR A 100 3.427 -3.950 -13.553 1.00 1.13 C ATOM 0 H THR A 100 4.137 -3.791 -10.312 1.00 0.60 H new ATOM 0 HA THR A 100 2.279 -5.582 -11.871 1.00 0.72 H new ATOM 0 HB THR A 100 4.621 -5.689 -13.134 1.00 0.93 H new ATOM 0 HG1 THR A 100 5.867 -3.771 -12.700 1.00 1.36 H new ATOM 0 HG21 THR A 100 4.095 -3.589 -14.335 1.00 1.13 H new ATOM 0 HG22 THR A 100 2.617 -4.523 -14.003 1.00 1.13 H new ATOM 0 HG23 THR A 100 3.012 -3.101 -13.010 1.00 1.13 H new ATOM 1546 N ALA A 101 3.840 -6.728 -9.567 1.00 0.83 N ATOM 1547 CA ALA A 101 4.366 -7.962 -8.911 1.00 1.01 C ATOM 1548 C ALA A 101 3.282 -8.597 -8.034 1.00 1.36 C ATOM 1549 O ALA A 101 2.102 -8.438 -8.278 1.00 1.98 O ATOM 1550 CB ALA A 101 5.538 -7.484 -8.054 1.00 0.87 C ATOM 0 H ALA A 101 3.513 -6.002 -8.929 1.00 0.83 H new ATOM 0 HA ALA A 101 4.672 -8.718 -9.635 1.00 1.01 H new ATOM 0 HB1 ALA A 101 5.981 -8.335 -7.537 1.00 0.87 H new ATOM 0 HB2 ALA A 101 6.288 -7.016 -8.692 1.00 0.87 H new ATOM 0 HB3 ALA A 101 5.182 -6.760 -7.322 1.00 0.87 H new ATOM 1556 N GLY A 102 3.672 -9.315 -7.016 1.00 1.17 N ATOM 1557 CA GLY A 102 2.662 -9.958 -6.127 1.00 1.71 C ATOM 1558 C GLY A 102 3.099 -11.388 -5.798 1.00 1.08 C ATOM 1559 O GLY A 102 2.487 -12.348 -6.226 1.00 1.27 O ATOM 0 H GLY A 102 4.645 -9.484 -6.761 1.00 1.17 H new ATOM 0 HA2 GLY A 102 2.552 -9.381 -5.209 1.00 1.71 H new ATOM 0 HA3 GLY A 102 1.688 -9.969 -6.616 1.00 1.71 H new ATOM 1563 N ARG A 103 4.151 -11.540 -5.040 1.00 0.90 N ATOM 1564 CA ARG A 103 4.622 -12.910 -4.686 1.00 1.11 C ATOM 1565 C ARG A 103 5.017 -12.965 -3.208 1.00 0.94 C ATOM 1566 O ARG A 103 4.704 -13.903 -2.503 1.00 1.04 O ATOM 1567 CB ARG A 103 5.842 -13.154 -5.575 1.00 1.71 C ATOM 1568 CG ARG A 103 5.381 -13.605 -6.962 1.00 2.44 C ATOM 1569 CD ARG A 103 5.473 -15.130 -7.062 1.00 3.16 C ATOM 1570 NE ARG A 103 6.862 -15.402 -7.526 1.00 3.73 N ATOM 1571 CZ ARG A 103 7.184 -16.588 -7.964 1.00 4.34 C ATOM 1572 NH1 ARG A 103 6.613 -17.065 -9.037 1.00 4.81 N ATOM 1573 NH2 ARG A 103 8.078 -17.299 -7.331 1.00 4.84 N ATOM 0 H ARG A 103 4.704 -10.776 -4.651 1.00 0.90 H new ATOM 0 HA ARG A 103 3.850 -13.664 -4.839 1.00 1.11 H new ATOM 0 HB2 ARG A 103 6.435 -12.243 -5.656 1.00 1.71 H new ATOM 0 HB3 ARG A 103 6.484 -13.913 -5.129 1.00 1.71 H new ATOM 0 HG2 ARG A 103 4.356 -13.280 -7.139 1.00 2.44 H new ATOM 0 HG3 ARG A 103 6.000 -13.142 -7.731 1.00 2.44 H new ATOM 0 HD2 ARG A 103 5.279 -15.601 -6.098 1.00 3.16 H new ATOM 0 HD3 ARG A 103 4.738 -15.525 -7.763 1.00 3.16 H new ATOM 0 HE ARG A 103 7.562 -14.660 -7.501 1.00 3.73 H new ATOM 0 HH11 ARG A 103 5.915 -16.510 -9.533 1.00 4.81 H new ATOM 0 HH12 ARG A 103 6.865 -17.992 -9.379 1.00 4.81 H new ATOM 0 HH21 ARG A 103 8.525 -16.927 -6.493 1.00 4.84 H new ATOM 0 HH22 ARG A 103 8.329 -18.226 -7.674 1.00 4.84 H new ATOM 1587 N GLU A 104 5.703 -11.963 -2.740 1.00 0.75 N ATOM 1588 CA GLU A 104 6.126 -11.945 -1.311 1.00 0.66 C ATOM 1589 C GLU A 104 6.663 -10.560 -0.942 1.00 0.56 C ATOM 1590 O GLU A 104 6.805 -9.698 -1.786 1.00 0.57 O ATOM 1591 CB GLU A 104 7.235 -12.994 -1.212 1.00 0.79 C ATOM 1592 CG GLU A 104 8.355 -12.647 -2.195 1.00 1.59 C ATOM 1593 CD GLU A 104 8.602 -13.834 -3.128 1.00 1.87 C ATOM 1594 OE1 GLU A 104 7.660 -14.565 -3.386 1.00 2.51 O ATOM 1595 OE2 GLU A 104 9.728 -13.992 -3.568 1.00 2.04 O ATOM 0 H GLU A 104 5.991 -11.151 -3.286 1.00 0.75 H new ATOM 0 HA GLU A 104 5.302 -12.161 -0.631 1.00 0.66 H new ATOM 0 HB2 GLU A 104 7.627 -13.029 -0.196 1.00 0.79 H new ATOM 0 HB3 GLU A 104 6.835 -13.983 -1.434 1.00 0.79 H new ATOM 0 HG2 GLU A 104 8.084 -11.765 -2.775 1.00 1.59 H new ATOM 0 HG3 GLU A 104 9.267 -12.402 -1.651 1.00 1.59 H new ATOM 1602 N ALA A 105 6.953 -10.342 0.315 1.00 0.50 N ATOM 1603 CA ALA A 105 7.479 -9.011 0.755 1.00 0.44 C ATOM 1604 C ALA A 105 8.565 -8.498 -0.201 1.00 0.45 C ATOM 1605 O ALA A 105 8.629 -7.323 -0.507 1.00 0.47 O ATOM 1606 CB ALA A 105 8.076 -9.265 2.140 1.00 0.47 C ATOM 0 H ALA A 105 6.848 -11.031 1.060 1.00 0.50 H new ATOM 0 HA ALA A 105 6.695 -8.254 0.767 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.485 -8.336 2.536 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.299 -9.633 2.809 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.870 -10.008 2.063 1.00 0.47 H new ATOM 1612 N ASP A 106 9.417 -9.364 -0.676 1.00 0.51 N ATOM 1613 CA ASP A 106 10.491 -8.913 -1.611 1.00 0.56 C ATOM 1614 C ASP A 106 9.879 -8.157 -2.791 1.00 0.54 C ATOM 1615 O ASP A 106 10.305 -7.072 -3.135 1.00 0.64 O ATOM 1616 CB ASP A 106 11.172 -10.195 -2.091 1.00 0.67 C ATOM 1617 CG ASP A 106 11.825 -10.904 -0.905 1.00 1.18 C ATOM 1618 OD1 ASP A 106 11.112 -11.570 -0.172 1.00 2.02 O ATOM 1619 OD2 ASP A 106 13.027 -10.769 -0.748 1.00 1.82 O ATOM 0 H ASP A 106 9.418 -10.361 -0.460 1.00 0.51 H new ATOM 0 HA ASP A 106 11.197 -8.236 -1.130 1.00 0.56 H new ATOM 0 HB2 ASP A 106 10.441 -10.852 -2.563 1.00 0.67 H new ATOM 0 HB3 ASP A 106 11.923 -9.959 -2.845 1.00 0.67 H new ATOM 1624 N ASP A 107 8.884 -8.723 -3.409 1.00 0.50 N ATOM 1625 CA ASP A 107 8.241 -8.040 -4.568 1.00 0.52 C ATOM 1626 C ASP A 107 7.763 -6.643 -4.159 1.00 0.51 C ATOM 1627 O ASP A 107 7.565 -5.779 -4.988 1.00 0.63 O ATOM 1628 CB ASP A 107 7.052 -8.928 -4.941 1.00 0.55 C ATOM 1629 CG ASP A 107 7.363 -9.672 -6.242 1.00 0.76 C ATOM 1630 OD1 ASP A 107 8.514 -10.022 -6.442 1.00 1.39 O ATOM 1631 OD2 ASP A 107 6.443 -9.880 -7.016 1.00 1.41 O ATOM 0 H ASP A 107 8.486 -9.630 -3.164 1.00 0.50 H new ATOM 0 HA ASP A 107 8.928 -7.908 -5.404 1.00 0.52 H new ATOM 0 HB2 ASP A 107 6.851 -9.640 -4.141 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.154 -8.321 -5.061 1.00 0.55 H new ATOM 1636 N ILE A 108 7.576 -6.419 -2.887 1.00 0.46 N ATOM 1637 CA ILE A 108 7.112 -5.078 -2.424 1.00 0.52 C ATOM 1638 C ILE A 108 8.298 -4.114 -2.325 1.00 0.50 C ATOM 1639 O ILE A 108 8.301 -3.052 -2.917 1.00 0.52 O ATOM 1640 CB ILE A 108 6.507 -5.319 -1.038 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.459 -6.435 -1.115 1.00 0.73 C ATOM 1642 CG2 ILE A 108 5.847 -4.032 -0.538 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.317 -6.009 -2.041 1.00 0.68 C ATOM 0 H ILE A 108 7.724 -7.106 -2.148 1.00 0.46 H new ATOM 0 HA ILE A 108 6.392 -4.633 -3.112 1.00 0.52 H new ATOM 0 HB ILE A 108 7.297 -5.616 -0.348 1.00 0.60 H new ATOM 0 HG12 ILE A 108 5.917 -7.352 -1.485 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.071 -6.652 -0.120 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.416 -4.203 0.449 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.594 -3.241 -0.475 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.060 -3.734 -1.231 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.574 -6.805 -2.093 1.00 0.68 H new ATOM 0 HD12 ILE A 108 3.852 -5.103 -1.652 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.711 -5.815 -3.039 1.00 0.68 H new ATOM 1655 N VAL A 109 9.306 -4.480 -1.581 1.00 0.51 N ATOM 1656 CA VAL A 109 10.493 -3.587 -1.442 1.00 0.56 C ATOM 1657 C VAL A 109 11.263 -3.525 -2.761 1.00 0.51 C ATOM 1658 O VAL A 109 11.680 -2.472 -3.200 1.00 0.55 O ATOM 1659 CB VAL A 109 11.347 -4.235 -0.352 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.605 -3.395 -0.124 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.543 -4.314 0.947 1.00 0.86 C ATOM 0 H VAL A 109 9.360 -5.357 -1.064 1.00 0.51 H new ATOM 0 HA VAL A 109 10.215 -2.564 -1.189 1.00 0.56 H new ATOM 0 HB VAL A 109 11.633 -5.240 -0.663 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.215 -3.856 0.653 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.178 -3.339 -1.050 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.320 -2.390 0.187 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.152 -4.776 1.724 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.257 -3.310 1.259 1.00 0.86 H new ATOM 0 HG23 VAL A 109 9.647 -4.913 0.784 1.00 0.86 H new ATOM 1671 N ASN A 110 11.453 -4.648 -3.398 1.00 0.50 N ATOM 1672 CA ASN A 110 12.195 -4.659 -4.691 1.00 0.52 C ATOM 1673 C ASN A 110 11.587 -3.642 -5.657 1.00 0.50 C ATOM 1674 O ASN A 110 12.277 -2.827 -6.235 1.00 0.59 O ATOM 1675 CB ASN A 110 12.026 -6.081 -5.226 1.00 0.59 C ATOM 1676 CG ASN A 110 13.152 -6.396 -6.212 1.00 0.98 C ATOM 1677 OD1 ASN A 110 13.381 -5.658 -7.149 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.871 -7.471 -6.036 1.00 1.29 N ATOM 0 H ASN A 110 11.126 -5.560 -3.078 1.00 0.50 H new ATOM 0 HA ASN A 110 13.245 -4.390 -4.571 1.00 0.52 H new ATOM 0 HB2 ASN A 110 12.041 -6.794 -4.402 1.00 0.59 H new ATOM 0 HB3 ASN A 110 11.059 -6.182 -5.718 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.626 -7.692 -6.686 1.00 1.29 H new ATOM 0 HD22 ASN A 110 13.678 -8.090 -5.249 1.00 1.29 H new ATOM 1685 N TRP A 111 10.296 -3.681 -5.830 1.00 0.46 N ATOM 1686 CA TRP A 111 9.641 -2.713 -6.751 1.00 0.51 C ATOM 1687 C TRP A 111 9.802 -1.290 -6.211 1.00 0.55 C ATOM 1688 O TRP A 111 9.892 -0.337 -6.960 1.00 0.66 O ATOM 1689 CB TRP A 111 8.167 -3.117 -6.771 1.00 0.55 C ATOM 1690 CG TRP A 111 7.546 -2.684 -8.060 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.527 -3.415 -9.199 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.853 -1.439 -8.362 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.868 -2.697 -10.180 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.433 -1.472 -9.713 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.551 -0.295 -7.603 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.740 -0.408 -10.290 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.853 0.778 -8.179 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.448 0.722 -9.520 1.00 1.14 C ATOM 0 H TRP A 111 9.667 -4.341 -5.374 1.00 0.46 H new ATOM 0 HA TRP A 111 10.077 -2.729 -7.750 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.074 -4.197 -6.655 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.643 -2.660 -5.932 1.00 0.55 H new ATOM 0 HD1 TRP A 111 7.956 -4.398 -9.322 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.721 -3.031 -11.132 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.858 -0.241 -6.569 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.431 -0.457 -11.324 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 5.627 1.652 -7.586 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.911 1.551 -9.958 1.00 1.14 H new ATOM 1709 N LEU A 112 9.844 -1.142 -4.916 1.00 0.55 N ATOM 1710 CA LEU A 112 10.005 0.218 -4.326 1.00 0.65 C ATOM 1711 C LEU A 112 11.447 0.701 -4.500 1.00 0.65 C ATOM 1712 O LEU A 112 11.696 1.863 -4.754 1.00 0.75 O ATOM 1713 CB LEU A 112 9.669 0.053 -2.843 1.00 0.74 C ATOM 1714 CG LEU A 112 8.397 0.839 -2.515 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.395 -0.083 -1.816 1.00 1.49 C ATOM 1716 CD2 LEU A 112 8.741 2.009 -1.591 1.00 1.10 C ATOM 0 H LEU A 112 9.774 -1.903 -4.240 1.00 0.55 H new ATOM 0 HA LEU A 112 9.362 0.955 -4.808 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.528 -1.002 -2.607 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.497 0.409 -2.230 1.00 0.74 H new ATOM 0 HG LEU A 112 7.960 1.222 -3.437 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.489 0.475 -1.582 1.00 1.49 H new ATOM 0 HD12 LEU A 112 7.148 -0.917 -2.473 1.00 1.49 H new ATOM 0 HD13 LEU A 112 7.834 -0.465 -0.894 1.00 1.49 H new ATOM 0 HD21 LEU A 112 7.834 2.568 -1.358 1.00 1.10 H new ATOM 0 HD22 LEU A 112 9.179 1.628 -0.669 1.00 1.10 H new ATOM 0 HD23 LEU A 112 9.455 2.666 -2.087 1.00 1.10 H new ATOM 1728 N LYS A 113 12.402 -0.180 -4.369 1.00 0.62 N ATOM 1729 CA LYS A 113 13.825 0.238 -4.532 1.00 0.70 C ATOM 1730 C LYS A 113 14.264 0.064 -5.989 1.00 0.75 C ATOM 1731 O LYS A 113 15.440 0.011 -6.290 1.00 1.01 O ATOM 1732 CB LYS A 113 14.621 -0.694 -3.618 1.00 0.79 C ATOM 1733 CG LYS A 113 14.967 0.037 -2.319 1.00 1.42 C ATOM 1734 CD LYS A 113 15.262 -0.986 -1.222 1.00 1.84 C ATOM 1735 CE LYS A 113 15.844 -0.272 0.000 1.00 2.39 C ATOM 1736 NZ LYS A 113 14.806 -0.416 1.058 1.00 2.86 N ATOM 0 H LYS A 113 12.260 -1.168 -4.157 1.00 0.62 H new ATOM 0 HA LYS A 113 13.978 1.287 -4.277 1.00 0.70 H new ATOM 0 HB2 LYS A 113 14.040 -1.590 -3.400 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.533 -1.020 -4.118 1.00 0.79 H new ATOM 0 HG2 LYS A 113 15.832 0.682 -2.472 1.00 1.42 H new ATOM 0 HG3 LYS A 113 14.139 0.679 -2.019 1.00 1.42 H new ATOM 0 HD2 LYS A 113 14.349 -1.514 -0.947 1.00 1.84 H new ATOM 0 HD3 LYS A 113 15.965 -1.735 -1.588 1.00 1.84 H new ATOM 0 HE2 LYS A 113 16.788 -0.722 0.308 1.00 2.39 H new ATOM 0 HE3 LYS A 113 16.046 0.777 -0.215 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 15.132 0.049 1.929 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 13.921 0.028 0.739 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 14.639 -1.425 1.246 1.00 2.86 H new ATOM 1750 N LYS A 114 13.330 -0.024 -6.897 1.00 0.71 N ATOM 1751 CA LYS A 114 13.699 -0.194 -8.333 1.00 0.89 C ATOM 1752 C LYS A 114 14.324 1.093 -8.875 1.00 1.07 C ATOM 1753 O LYS A 114 15.219 1.061 -9.696 1.00 1.31 O ATOM 1754 CB LYS A 114 12.380 -0.492 -9.046 1.00 0.92 C ATOM 1755 CG LYS A 114 12.651 -0.778 -10.525 1.00 1.45 C ATOM 1756 CD LYS A 114 11.485 -1.576 -11.112 1.00 1.77 C ATOM 1757 CE LYS A 114 10.867 -0.797 -12.274 1.00 2.49 C ATOM 1758 NZ LYS A 114 9.418 -1.142 -12.241 1.00 3.00 N ATOM 0 H LYS A 114 12.328 0.014 -6.708 1.00 0.71 H new ATOM 0 HA LYS A 114 14.431 -0.988 -8.481 1.00 0.89 H new ATOM 0 HB2 LYS A 114 11.890 -1.348 -8.583 1.00 0.92 H new ATOM 0 HB3 LYS A 114 11.702 0.355 -8.947 1.00 0.92 H new ATOM 0 HG2 LYS A 114 12.776 0.157 -11.070 1.00 1.45 H new ATOM 0 HG3 LYS A 114 13.580 -1.338 -10.634 1.00 1.45 H new ATOM 0 HD2 LYS A 114 11.834 -2.549 -11.457 1.00 1.77 H new ATOM 0 HD3 LYS A 114 10.734 -1.761 -10.344 1.00 1.77 H new ATOM 0 HE2 LYS A 114 11.020 0.276 -12.156 1.00 2.49 H new ATOM 0 HE3 LYS A 114 11.319 -1.081 -13.224 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 8.925 -0.645 -13.010 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 9.303 -2.168 -12.362 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 9.013 -0.854 -11.327 1.00 3.00 H new ATOM 1772 N ARG A 115 13.858 2.227 -8.426 1.00 1.09 N ATOM 1773 CA ARG A 115 14.428 3.513 -8.923 1.00 1.40 C ATOM 1774 C ARG A 115 15.027 4.315 -7.765 1.00 1.25 C ATOM 1775 O ARG A 115 16.009 5.013 -7.921 1.00 1.55 O ATOM 1776 CB ARG A 115 13.244 4.260 -9.537 1.00 1.86 C ATOM 1777 CG ARG A 115 13.733 5.572 -10.154 1.00 2.43 C ATOM 1778 CD ARG A 115 13.156 6.752 -9.369 1.00 2.92 C ATOM 1779 NE ARG A 115 13.657 7.962 -10.074 1.00 3.45 N ATOM 1780 CZ ARG A 115 14.302 8.885 -9.411 1.00 3.99 C ATOM 1781 NH1 ARG A 115 13.676 9.607 -8.523 1.00 4.34 N ATOM 1782 NH2 ARG A 115 15.571 9.083 -9.638 1.00 4.52 N ATOM 0 H ARG A 115 13.110 2.319 -7.739 1.00 1.09 H new ATOM 0 HA ARG A 115 15.230 3.355 -9.644 1.00 1.40 H new ATOM 0 HB2 ARG A 115 12.767 3.643 -10.299 1.00 1.86 H new ATOM 0 HB3 ARG A 115 12.493 4.462 -8.774 1.00 1.86 H new ATOM 0 HG2 ARG A 115 14.822 5.609 -10.139 1.00 2.43 H new ATOM 0 HG3 ARG A 115 13.426 5.632 -11.198 1.00 2.43 H new ATOM 0 HD2 ARG A 115 12.066 6.724 -9.358 1.00 2.92 H new ATOM 0 HD3 ARG A 115 13.486 6.735 -8.330 1.00 2.92 H new ATOM 0 HE ARG A 115 13.497 8.071 -11.075 1.00 3.45 H new ATOM 0 HH11 ARG A 115 12.684 9.451 -8.346 1.00 4.34 H new ATOM 0 HH12 ARG A 115 14.179 10.328 -8.005 1.00 4.34 H new ATOM 0 HH21 ARG A 115 16.059 8.518 -10.333 1.00 4.52 H new ATOM 0 HH22 ARG A 115 16.075 9.803 -9.121 1.00 4.52 H new