USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=15 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 NoAdj-H: A 5 GLU H : A 5 GLU N : A 4 GLU OE1 :(H bumps) USER MOD NoAdj-H: A 60 ILE H : A 60 ILE N : A 59 GLU OE1 :(H bumps) USER MOD Single : A 8 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-2.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.947 K(o=-0.95,f=-4.9!) USER MOD Single : A 24 HIS : no HD1:sc= -0.298 X(o=-0.3,f=0.018) 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 180:sc= -0.0865 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 119:sc= -5.02! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 167:sc= -0.0045 (180deg=-0.056) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -170:sc= 0.0185 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 130:sc= -1.65 USER MOD Single : A 71 SER OG : rot -100:sc= 0.643 USER MOD Single : A 75 GLN : amide:sc= -0.288 K(o=-0.29,f=-2.5!) USER MOD Single : A 76 GLN : amide:sc= -0.366 K(o=-0.37,f=-3.9!) USER MOD Single : A 77 TYR OH : rot 177:sc= 1.03 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.163 USER MOD Single : A 84 THR OG1 : rot 29:sc= -1.78! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.609 X(o=-0.61,f=-0.85) USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.06! 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 -150:sc= -3.53 USER MOD Single : A 100 THR OG1 : rot -78:sc= 0.621 USER MOD Single : A 110 ASN : amide:sc= 1.11 K(o=1.1,f=-0.052) 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 -5.892 3.286 13.056 1.00 1.37 N ATOM 40 CA GLU A 4 -4.743 3.593 12.155 1.00 1.14 C ATOM 41 C GLU A 4 -3.609 2.577 12.345 1.00 0.89 C ATOM 42 O GLU A 4 -3.436 2.010 13.406 1.00 1.30 O ATOM 43 CB GLU A 4 -4.284 4.991 12.566 1.00 1.67 C ATOM 44 CG GLU A 4 -3.537 5.645 11.403 1.00 2.39 C ATOM 45 CD GLU A 4 -3.038 4.564 10.442 1.00 2.65 C ATOM 46 OE1 GLU A 4 -2.608 3.527 10.921 1.00 3.09 O ATOM 47 OE2 GLU A 4 -3.096 4.789 9.245 1.00 3.05 O ATOM 0 HA GLU A 4 -5.027 3.543 11.104 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -5.143 5.599 12.848 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -3.636 4.930 13.440 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -4.195 6.337 10.878 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -2.696 6.228 11.779 1.00 2.39 H new ATOM 54 N GLU A 5 -2.833 2.355 11.317 1.00 1.00 N ATOM 55 CA GLU A 5 -1.697 1.386 11.412 1.00 0.81 C ATOM 56 C GLU A 5 -2.210 -0.009 11.772 1.00 0.87 C ATOM 57 O GLU A 5 -3.271 -0.167 12.338 1.00 1.15 O ATOM 58 CB GLU A 5 -0.775 1.901 12.524 1.00 0.95 C ATOM 59 CG GLU A 5 -0.553 3.413 12.383 1.00 1.46 C ATOM 60 CD GLU A 5 0.217 3.931 13.599 1.00 1.82 C ATOM 61 OE1 GLU A 5 -0.303 3.813 14.698 1.00 2.19 O ATOM 62 OE2 GLU A 5 1.310 4.437 13.413 1.00 2.50 O ATOM 0 HA GLU A 5 -1.173 1.310 10.459 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -1.213 1.681 13.498 1.00 0.95 H new ATOM 0 HB3 GLU A 5 0.182 1.382 12.480 1.00 0.95 H new ATOM 0 HG2 GLU A 5 0.002 3.626 11.470 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -1.511 3.926 12.300 1.00 1.46 H new ATOM 69 N GLU A 6 -1.455 -1.016 11.435 1.00 0.79 N ATOM 70 CA GLU A 6 -1.867 -2.408 11.730 1.00 1.04 C ATOM 71 C GLU A 6 -0.685 -3.364 11.521 1.00 1.10 C ATOM 72 O GLU A 6 -0.304 -3.652 10.408 1.00 1.76 O ATOM 73 CB GLU A 6 -2.957 -2.688 10.711 1.00 1.28 C ATOM 74 CG GLU A 6 -4.319 -2.419 11.344 1.00 1.68 C ATOM 75 CD GLU A 6 -5.181 -3.681 11.270 1.00 1.97 C ATOM 76 OE1 GLU A 6 -4.651 -4.752 11.515 1.00 2.63 O ATOM 77 OE2 GLU A 6 -6.357 -3.554 10.972 1.00 2.24 O ATOM 0 H GLU A 6 -0.556 -0.928 10.960 1.00 0.79 H new ATOM 0 HA GLU A 6 -2.204 -2.543 12.758 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -2.820 -2.057 9.832 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -2.898 -3.723 10.373 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -4.194 -2.113 12.383 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -4.815 -1.597 10.827 1.00 1.68 H new ATOM 84 N ASP A 7 -0.104 -3.859 12.578 1.00 1.27 N ATOM 85 CA ASP A 7 1.049 -4.796 12.423 1.00 1.35 C ATOM 86 C ASP A 7 2.150 -4.161 11.563 1.00 1.28 C ATOM 87 O ASP A 7 2.465 -4.637 10.492 1.00 2.01 O ATOM 88 CB ASP A 7 0.473 -6.032 11.726 1.00 1.53 C ATOM 89 CG ASP A 7 1.269 -6.321 10.452 1.00 1.92 C ATOM 90 OD1 ASP A 7 2.376 -6.821 10.568 1.00 2.36 O ATOM 91 OD2 ASP A 7 0.758 -6.038 9.380 1.00 2.57 O ATOM 0 H ASP A 7 -0.375 -3.658 13.541 1.00 1.27 H new ATOM 0 HA ASP A 7 1.502 -5.042 13.383 1.00 1.35 H new ATOM 0 HB2 ASP A 7 0.514 -6.891 12.395 1.00 1.53 H new ATOM 0 HB3 ASP A 7 -0.577 -5.868 11.482 1.00 1.53 H new ATOM 96 N HIS A 8 2.739 -3.094 12.034 1.00 1.21 N ATOM 97 CA HIS A 8 3.831 -2.423 11.260 1.00 1.11 C ATOM 98 C HIS A 8 3.366 -2.046 9.847 1.00 0.81 C ATOM 99 O HIS A 8 4.170 -1.793 8.971 1.00 0.87 O ATOM 100 CB HIS A 8 4.963 -3.450 11.201 1.00 1.32 C ATOM 101 CG HIS A 8 5.419 -3.772 12.598 1.00 1.61 C ATOM 102 ND1 HIS A 8 4.640 -4.506 13.480 1.00 2.30 N ATOM 103 CD2 HIS A 8 6.569 -3.463 13.283 1.00 2.02 C ATOM 104 CE1 HIS A 8 5.324 -4.614 14.633 1.00 2.53 C ATOM 105 NE2 HIS A 8 6.507 -3.995 14.568 1.00 2.33 N ATOM 0 H HIS A 8 2.511 -2.654 12.926 1.00 1.21 H new ATOM 0 HA HIS A 8 4.143 -1.491 11.732 1.00 1.11 H new ATOM 0 HB2 HIS A 8 4.621 -4.356 10.700 1.00 1.32 H new ATOM 0 HB3 HIS A 8 5.795 -3.057 10.616 1.00 1.32 H new ATOM 0 HD2 HIS A 8 7.396 -2.894 12.885 1.00 2.02 H new ATOM 0 HE1 HIS A 8 4.961 -5.137 15.505 1.00 2.53 H new ATOM 0 HE2 HIS A 8 7.212 -3.927 15.302 1.00 2.33 H new ATOM 113 N VAL A 9 2.083 -1.987 9.617 1.00 0.69 N ATOM 114 CA VAL A 9 1.583 -1.606 8.262 1.00 0.49 C ATOM 115 C VAL A 9 0.588 -0.449 8.395 1.00 0.41 C ATOM 116 O VAL A 9 -0.062 -0.297 9.410 1.00 0.54 O ATOM 117 CB VAL A 9 0.894 -2.858 7.713 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.376 -2.583 6.302 1.00 0.88 C ATOM 119 CG2 VAL A 9 1.897 -4.010 7.662 1.00 0.89 C ATOM 0 H VAL A 9 1.358 -2.186 10.307 1.00 0.69 H new ATOM 0 HA VAL A 9 2.382 -1.274 7.599 1.00 0.49 H new ATOM 0 HB VAL A 9 0.060 -3.123 8.363 1.00 0.68 H new ATOM 0 HG11 VAL A 9 -0.114 -3.476 5.914 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.339 -1.760 6.331 1.00 0.88 H new ATOM 0 HG13 VAL A 9 1.211 -2.316 5.654 1.00 0.88 H new ATOM 0 HG21 VAL A 9 1.407 -4.902 7.271 1.00 0.89 H new ATOM 0 HG22 VAL A 9 2.729 -3.739 7.013 1.00 0.89 H new ATOM 0 HG23 VAL A 9 2.271 -4.212 8.666 1.00 0.89 H new ATOM 129 N LEU A 10 0.465 0.376 7.390 1.00 0.41 N ATOM 130 CA LEU A 10 -0.484 1.520 7.492 1.00 0.54 C ATOM 131 C LEU A 10 -1.852 1.142 6.919 1.00 0.42 C ATOM 132 O LEU A 10 -1.968 0.285 6.066 1.00 0.59 O ATOM 133 CB LEU A 10 0.154 2.639 6.668 1.00 0.83 C ATOM 134 CG LEU A 10 0.242 3.913 7.512 1.00 0.96 C ATOM 135 CD1 LEU A 10 -1.159 4.317 7.979 1.00 1.30 C ATOM 136 CD2 LEU A 10 1.131 3.657 8.732 1.00 1.49 C ATOM 0 H LEU A 10 0.976 0.308 6.510 1.00 0.41 H new ATOM 0 HA LEU A 10 -0.653 1.818 8.527 1.00 0.54 H new ATOM 0 HB2 LEU A 10 1.149 2.340 6.339 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.436 2.825 5.771 1.00 0.83 H new ATOM 0 HG LEU A 10 0.670 4.716 6.911 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -1.095 5.224 8.580 1.00 1.30 H new ATOM 0 HD12 LEU A 10 -1.793 4.500 7.111 1.00 1.30 H new ATOM 0 HD13 LEU A 10 -1.588 3.514 8.579 1.00 1.30 H new ATOM 0 HD21 LEU A 10 1.194 4.564 9.333 1.00 1.49 H new ATOM 0 HD22 LEU A 10 0.704 2.853 9.331 1.00 1.49 H new ATOM 0 HD23 LEU A 10 2.129 3.371 8.401 1.00 1.49 H new ATOM 148 N VAL A 11 -2.886 1.784 7.382 1.00 0.54 N ATOM 149 CA VAL A 11 -4.254 1.483 6.868 1.00 0.46 C ATOM 150 C VAL A 11 -5.020 2.792 6.667 1.00 0.43 C ATOM 151 O VAL A 11 -5.074 3.629 7.546 1.00 0.54 O ATOM 152 CB VAL A 11 -4.924 0.620 7.943 1.00 0.61 C ATOM 153 CG1 VAL A 11 -4.269 -0.762 7.967 1.00 1.04 C ATOM 154 CG2 VAL A 11 -4.776 1.279 9.318 1.00 1.39 C ATOM 0 H VAL A 11 -2.844 2.509 8.098 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.232 0.965 5.909 1.00 0.46 H new ATOM 0 HB VAL A 11 -5.984 0.521 7.709 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -4.745 -1.377 8.731 1.00 1.04 H new ATOM 0 HG12 VAL A 11 -4.387 -1.238 6.993 1.00 1.04 H new ATOM 0 HG13 VAL A 11 -3.208 -0.658 8.194 1.00 1.04 H new ATOM 0 HG21 VAL A 11 -5.256 0.657 10.073 1.00 1.39 H new ATOM 0 HG22 VAL A 11 -3.718 1.389 9.557 1.00 1.39 H new ATOM 0 HG23 VAL A 11 -5.248 2.261 9.304 1.00 1.39 H new ATOM 164 N LEU A 12 -5.605 2.982 5.518 1.00 0.40 N ATOM 165 CA LEU A 12 -6.352 4.247 5.272 1.00 0.45 C ATOM 166 C LEU A 12 -7.842 3.957 5.105 1.00 0.44 C ATOM 167 O LEU A 12 -8.265 2.819 5.053 1.00 0.58 O ATOM 168 CB LEU A 12 -5.778 4.821 3.966 1.00 0.63 C ATOM 169 CG LEU A 12 -4.279 5.153 4.105 1.00 0.76 C ATOM 170 CD1 LEU A 12 -4.002 5.877 5.429 1.00 0.82 C ATOM 171 CD2 LEU A 12 -3.458 3.865 4.045 1.00 1.16 C ATOM 0 H LEU A 12 -5.599 2.320 4.742 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.246 4.944 6.103 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -5.919 4.102 3.159 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.327 5.721 3.691 1.00 0.63 H new ATOM 0 HG LEU A 12 -3.994 5.810 3.283 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -2.938 6.101 5.505 1.00 0.82 H new ATOM 0 HD12 LEU A 12 -4.572 6.806 5.462 1.00 0.82 H new ATOM 0 HD13 LEU A 12 -4.299 5.239 6.262 1.00 0.82 H new ATOM 0 HD21 LEU A 12 -2.399 4.104 4.144 1.00 1.16 H new ATOM 0 HD22 LEU A 12 -3.758 3.204 4.858 1.00 1.16 H new ATOM 0 HD23 LEU A 12 -3.631 3.368 3.091 1.00 1.16 H new ATOM 183 N ARG A 13 -8.641 4.980 5.006 1.00 0.47 N ATOM 184 CA ARG A 13 -10.102 4.767 4.827 1.00 0.55 C ATOM 185 C ARG A 13 -10.742 6.011 4.197 1.00 0.54 C ATOM 186 O ARG A 13 -10.119 6.720 3.431 1.00 0.73 O ATOM 187 CB ARG A 13 -10.655 4.490 6.234 1.00 0.69 C ATOM 188 CG ARG A 13 -10.643 5.765 7.081 1.00 1.19 C ATOM 189 CD ARG A 13 -10.691 5.395 8.566 1.00 1.28 C ATOM 190 NE ARG A 13 -12.138 5.171 8.852 1.00 1.86 N ATOM 191 CZ ARG A 13 -12.692 5.727 9.897 1.00 2.30 C ATOM 192 NH1 ARG A 13 -12.804 7.026 9.962 1.00 2.68 N ATOM 193 NH2 ARG A 13 -13.130 4.985 10.876 1.00 2.84 N ATOM 0 H ARG A 13 -8.345 5.956 5.041 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.322 3.937 4.156 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -11.672 4.106 6.161 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -10.057 3.719 6.720 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -9.745 6.346 6.869 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -11.497 6.392 6.824 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -10.103 4.500 8.771 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -10.283 6.193 9.187 1.00 1.28 H new ATOM 0 HE ARG A 13 -12.695 4.584 8.232 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -12.459 7.607 9.197 1.00 2.68 H new ATOM 0 HH12 ARG A 13 -13.236 7.460 10.777 1.00 2.68 H new ATOM 0 HH21 ARG A 13 -13.040 3.970 10.826 1.00 2.84 H new ATOM 0 HH22 ARG A 13 -13.562 5.420 11.691 1.00 2.84 H new ATOM 207 N LYS A 14 -11.982 6.265 4.495 1.00 0.58 N ATOM 208 CA LYS A 14 -12.671 7.448 3.894 1.00 0.63 C ATOM 209 C LYS A 14 -12.070 8.774 4.383 1.00 0.65 C ATOM 210 O LYS A 14 -12.365 9.824 3.846 1.00 0.83 O ATOM 211 CB LYS A 14 -14.119 7.330 4.361 1.00 0.74 C ATOM 212 CG LYS A 14 -15.023 7.031 3.164 1.00 1.26 C ATOM 213 CD LYS A 14 -16.472 7.367 3.522 1.00 1.92 C ATOM 214 CE LYS A 14 -16.648 8.887 3.561 1.00 2.26 C ATOM 215 NZ LYS A 14 -17.565 9.196 2.430 1.00 2.80 N ATOM 0 H LYS A 14 -12.553 5.707 5.129 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.569 7.453 2.809 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -14.208 6.537 5.104 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.432 8.256 4.844 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -14.706 7.615 2.300 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -14.940 5.980 2.886 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -17.150 6.930 2.789 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -16.728 6.935 4.490 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -17.070 9.211 4.512 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -15.692 9.398 3.446 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -17.734 10.221 2.391 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -17.133 8.882 1.537 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -18.469 8.701 2.571 1.00 2.80 H new ATOM 229 N SER A 15 -11.257 8.752 5.402 1.00 0.68 N ATOM 230 CA SER A 15 -10.680 10.037 5.912 1.00 0.88 C ATOM 231 C SER A 15 -9.157 9.957 6.093 1.00 0.81 C ATOM 232 O SER A 15 -8.494 10.969 6.212 1.00 1.05 O ATOM 233 CB SER A 15 -11.360 10.257 7.264 1.00 1.10 C ATOM 234 OG SER A 15 -11.235 11.621 7.639 1.00 1.68 O ATOM 0 H SER A 15 -10.967 7.912 5.902 1.00 0.68 H new ATOM 0 HA SER A 15 -10.852 10.852 5.209 1.00 0.88 H new ATOM 0 HB2 SER A 15 -12.413 9.980 7.203 1.00 1.10 H new ATOM 0 HB3 SER A 15 -10.905 9.617 8.020 1.00 1.10 H new ATOM 0 HG SER A 15 -11.672 11.764 8.505 1.00 1.68 H new ATOM 240 N ASN A 16 -8.590 8.781 6.129 1.00 0.65 N ATOM 241 CA ASN A 16 -7.111 8.682 6.317 1.00 0.68 C ATOM 242 C ASN A 16 -6.391 8.631 4.965 1.00 0.55 C ATOM 243 O ASN A 16 -5.199 8.849 4.882 1.00 0.56 O ATOM 244 CB ASN A 16 -6.892 7.385 7.095 1.00 0.87 C ATOM 245 CG ASN A 16 -7.705 7.423 8.389 1.00 0.91 C ATOM 246 OD1 ASN A 16 -8.375 8.397 8.670 1.00 1.74 O ATOM 247 ND2 ASN A 16 -7.676 6.398 9.195 1.00 0.98 N ATOM 0 H ASN A 16 -9.080 7.891 6.037 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.711 9.547 6.846 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -7.192 6.530 6.489 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -5.833 7.259 7.322 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -8.216 6.414 10.060 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -7.114 5.580 8.960 1.00 0.98 H new ATOM 254 N PHE A 17 -7.099 8.349 3.906 1.00 0.55 N ATOM 255 CA PHE A 17 -6.441 8.292 2.569 1.00 0.51 C ATOM 256 C PHE A 17 -5.832 9.651 2.223 1.00 0.46 C ATOM 257 O PHE A 17 -4.646 9.773 1.989 1.00 0.52 O ATOM 258 CB PHE A 17 -7.560 7.960 1.587 1.00 0.56 C ATOM 259 CG PHE A 17 -6.981 7.824 0.199 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.686 8.968 -0.554 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.739 6.554 -0.336 1.00 0.78 C ATOM 262 CE1 PHE A 17 -6.150 8.839 -1.841 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.204 6.425 -1.622 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.904 7.578 -2.375 1.00 0.87 C ATOM 0 H PHE A 17 -8.101 8.156 3.908 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.637 7.557 2.542 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -8.054 7.033 1.880 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.318 8.744 1.602 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.872 9.949 -0.142 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -6.966 5.672 0.245 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.927 9.722 -2.422 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -6.021 5.445 -2.037 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.484 7.483 -3.365 1.00 0.87 H new ATOM 274 N ALA A 18 -6.643 10.672 2.193 1.00 0.52 N ATOM 275 CA ALA A 18 -6.127 12.036 1.864 1.00 0.66 C ATOM 276 C ALA A 18 -4.894 12.355 2.714 1.00 0.59 C ATOM 277 O ALA A 18 -4.051 13.143 2.335 1.00 0.75 O ATOM 278 CB ALA A 18 -7.276 12.986 2.208 1.00 0.84 C ATOM 0 H ALA A 18 -7.644 10.623 2.382 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.824 12.123 0.821 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.976 14.012 1.994 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -8.150 12.731 1.609 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.521 12.893 3.266 1.00 0.84 H new ATOM 284 N GLU A 19 -4.784 11.738 3.856 1.00 0.46 N ATOM 285 CA GLU A 19 -3.609 11.989 4.731 1.00 0.49 C ATOM 286 C GLU A 19 -2.415 11.181 4.227 1.00 0.48 C ATOM 287 O GLU A 19 -1.360 11.713 3.950 1.00 0.56 O ATOM 288 CB GLU A 19 -4.042 11.496 6.109 1.00 0.55 C ATOM 289 CG GLU A 19 -2.979 11.867 7.145 1.00 0.69 C ATOM 290 CD GLU A 19 -3.441 11.428 8.535 1.00 1.04 C ATOM 291 OE1 GLU A 19 -4.234 12.142 9.128 1.00 1.66 O ATOM 292 OE2 GLU A 19 -2.994 10.386 8.984 1.00 1.78 O ATOM 0 H GLU A 19 -5.461 11.068 4.222 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.309 13.037 4.747 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.000 11.940 6.381 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.185 10.416 6.091 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -2.032 11.387 6.897 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -2.804 12.943 7.132 1.00 0.69 H new ATOM 299 N ALA A 20 -2.581 9.894 4.103 1.00 0.45 N ATOM 300 CA ALA A 20 -1.466 9.032 3.613 1.00 0.53 C ATOM 301 C ALA A 20 -0.869 9.604 2.322 1.00 0.57 C ATOM 302 O ALA A 20 0.317 9.505 2.078 1.00 0.71 O ATOM 303 CB ALA A 20 -2.110 7.670 3.351 1.00 0.57 C ATOM 0 H ALA A 20 -3.445 9.398 4.321 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.649 8.969 4.332 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.354 6.974 2.986 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.540 7.287 4.276 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.896 7.777 2.603 1.00 0.57 H new ATOM 309 N LEU A 21 -1.680 10.200 1.494 1.00 0.55 N ATOM 310 CA LEU A 21 -1.155 10.774 0.218 1.00 0.69 C ATOM 311 C LEU A 21 -0.268 11.987 0.507 1.00 0.75 C ATOM 312 O LEU A 21 0.763 12.177 -0.107 1.00 0.92 O ATOM 313 CB LEU A 21 -2.401 11.199 -0.567 1.00 0.74 C ATOM 314 CG LEU A 21 -2.862 10.069 -1.502 1.00 0.84 C ATOM 315 CD1 LEU A 21 -1.853 9.896 -2.637 1.00 1.44 C ATOM 316 CD2 LEU A 21 -2.981 8.751 -0.732 1.00 0.90 C ATOM 0 H LEU A 21 -2.682 10.316 1.643 1.00 0.55 H new ATOM 0 HA LEU A 21 -0.546 10.059 -0.335 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -3.203 11.456 0.125 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -2.183 12.094 -1.149 1.00 0.74 H new ATOM 0 HG LEU A 21 -3.838 10.333 -1.910 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -2.183 9.094 -3.298 1.00 1.44 H new ATOM 0 HD12 LEU A 21 -1.779 10.825 -3.202 1.00 1.44 H new ATOM 0 HD13 LEU A 21 -0.877 9.645 -2.221 1.00 1.44 H new ATOM 0 HD21 LEU A 21 -3.308 7.962 -1.409 1.00 0.90 H new ATOM 0 HD22 LEU A 21 -2.011 8.487 -0.310 1.00 0.90 H new ATOM 0 HD23 LEU A 21 -3.708 8.864 0.072 1.00 0.90 H new ATOM 328 N ALA A 22 -0.662 12.809 1.439 1.00 0.71 N ATOM 329 CA ALA A 22 0.156 14.011 1.771 1.00 0.85 C ATOM 330 C ALA A 22 1.021 13.756 3.014 1.00 0.89 C ATOM 331 O ALA A 22 1.725 14.632 3.476 1.00 1.08 O ATOM 332 CB ALA A 22 -0.862 15.118 2.045 1.00 1.00 C ATOM 0 H ALA A 22 -1.516 12.701 1.986 1.00 0.71 H new ATOM 0 HA ALA A 22 0.841 14.272 0.965 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.338 16.040 2.298 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.472 15.279 1.156 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.503 14.825 2.877 1.00 1.00 H new ATOM 338 N ALA A 23 0.979 12.568 3.560 1.00 0.86 N ATOM 339 CA ALA A 23 1.803 12.275 4.767 1.00 0.93 C ATOM 340 C ALA A 23 3.241 11.953 4.351 1.00 0.85 C ATOM 341 O ALA A 23 4.186 12.547 4.830 1.00 0.95 O ATOM 342 CB ALA A 23 1.143 11.056 5.412 1.00 1.05 C ATOM 0 H ALA A 23 0.411 11.791 3.222 1.00 0.86 H new ATOM 0 HA ALA A 23 1.850 13.120 5.454 1.00 0.93 H new ATOM 0 HB1 ALA A 23 1.693 10.777 6.311 1.00 1.05 H new ATOM 0 HB2 ALA A 23 0.114 11.297 5.677 1.00 1.05 H new ATOM 0 HB3 ALA A 23 1.151 10.223 4.709 1.00 1.05 H new ATOM 348 N HIS A 24 3.410 11.019 3.456 1.00 0.83 N ATOM 349 CA HIS A 24 4.782 10.660 2.999 1.00 0.84 C ATOM 350 C HIS A 24 4.811 10.542 1.473 1.00 0.82 C ATOM 351 O HIS A 24 3.864 10.094 0.858 1.00 1.30 O ATOM 352 CB HIS A 24 5.075 9.312 3.654 1.00 0.95 C ATOM 353 CG HIS A 24 5.904 9.526 4.891 1.00 1.22 C ATOM 354 ND1 HIS A 24 5.359 10.006 6.072 1.00 1.80 N ATOM 355 CD2 HIS A 24 7.240 9.333 5.146 1.00 1.84 C ATOM 356 CE1 HIS A 24 6.355 10.086 6.975 1.00 2.04 C ATOM 357 NE2 HIS A 24 7.521 9.687 6.462 1.00 2.00 N ATOM 0 H HIS A 24 2.656 10.488 3.021 1.00 0.83 H new ATOM 0 HA HIS A 24 5.524 11.411 3.272 1.00 0.84 H new ATOM 0 HB2 HIS A 24 4.142 8.810 3.911 1.00 0.95 H new ATOM 0 HB3 HIS A 24 5.605 8.664 2.956 1.00 0.95 H new ATOM 0 HD2 HIS A 24 7.962 8.963 4.433 1.00 1.84 H new ATOM 0 HE1 HIS A 24 6.226 10.431 7.990 1.00 2.04 H new ATOM 0 HE2 HIS A 24 8.425 9.650 6.934 1.00 2.00 H new ATOM 365 N LYS A 25 5.885 10.949 0.855 1.00 0.72 N ATOM 366 CA LYS A 25 5.967 10.868 -0.632 1.00 0.69 C ATOM 367 C LYS A 25 5.641 9.452 -1.116 1.00 0.59 C ATOM 368 O LYS A 25 4.697 9.240 -1.849 1.00 0.68 O ATOM 369 CB LYS A 25 7.412 11.228 -0.972 1.00 0.81 C ATOM 370 CG LYS A 25 7.549 12.748 -1.077 1.00 1.20 C ATOM 371 CD LYS A 25 8.961 13.102 -1.546 1.00 1.51 C ATOM 372 CE LYS A 25 9.961 12.820 -0.421 1.00 2.06 C ATOM 373 NZ LYS A 25 11.301 12.971 -1.054 1.00 2.47 N ATOM 0 H LYS A 25 6.710 11.334 1.315 1.00 0.72 H new ATOM 0 HA LYS A 25 5.253 11.536 -1.114 1.00 0.69 H new ATOM 0 HB2 LYS A 25 8.084 10.844 -0.204 1.00 0.81 H new ATOM 0 HB3 LYS A 25 7.703 10.760 -1.913 1.00 0.81 H new ATOM 0 HG2 LYS A 25 6.812 13.143 -1.777 1.00 1.20 H new ATOM 0 HG3 LYS A 25 7.349 13.209 -0.110 1.00 1.20 H new ATOM 0 HD2 LYS A 25 9.219 12.519 -2.430 1.00 1.51 H new ATOM 0 HD3 LYS A 25 9.007 14.153 -1.833 1.00 1.51 H new ATOM 0 HE2 LYS A 25 9.833 13.519 0.406 1.00 2.06 H new ATOM 0 HE3 LYS A 25 9.826 11.818 -0.015 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 12.042 12.793 -0.346 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 11.396 12.289 -1.833 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 11.402 13.937 -1.426 1.00 2.47 H new ATOM 387 N TYR A 26 6.416 8.480 -0.717 1.00 0.52 N ATOM 388 CA TYR A 26 6.149 7.084 -1.161 1.00 0.48 C ATOM 389 C TYR A 26 5.129 6.423 -0.236 1.00 0.46 C ATOM 390 O TYR A 26 5.426 6.095 0.896 1.00 0.53 O ATOM 391 CB TYR A 26 7.499 6.378 -1.055 1.00 0.56 C ATOM 392 CG TYR A 26 8.508 7.057 -1.953 1.00 0.65 C ATOM 393 CD1 TYR A 26 8.152 7.442 -3.251 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.804 7.303 -1.481 1.00 1.08 C ATOM 395 CE1 TYR A 26 9.092 8.073 -4.077 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.743 7.932 -2.306 1.00 1.31 C ATOM 397 CZ TYR A 26 10.387 8.317 -3.605 1.00 1.08 C ATOM 398 OH TYR A 26 11.313 8.937 -4.418 1.00 1.33 O ATOM 0 H TYR A 26 7.222 8.593 -0.103 1.00 0.52 H new ATOM 0 HA TYR A 26 5.739 7.040 -2.170 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.848 6.396 -0.023 1.00 0.56 H new ATOM 0 HB3 TYR A 26 7.394 5.331 -1.338 1.00 0.56 H new ATOM 0 HD1 TYR A 26 7.153 7.253 -3.616 1.00 0.75 H new ATOM 0 HD2 TYR A 26 10.079 7.007 -0.479 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.817 8.371 -5.078 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.742 8.121 -1.941 1.00 1.31 H new ATOM 0 HH TYR A 26 12.161 9.031 -3.936 1.00 1.33 H new ATOM 408 N LEU A 27 3.929 6.223 -0.704 1.00 0.46 N ATOM 409 CA LEU A 27 2.899 5.581 0.157 1.00 0.45 C ATOM 410 C LEU A 27 2.183 4.470 -0.609 1.00 0.40 C ATOM 411 O LEU A 27 1.380 4.719 -1.486 1.00 0.50 O ATOM 412 CB LEU A 27 1.926 6.704 0.518 1.00 0.51 C ATOM 413 CG LEU A 27 1.592 6.625 2.008 1.00 0.77 C ATOM 414 CD1 LEU A 27 0.941 5.276 2.315 1.00 1.93 C ATOM 415 CD2 LEU A 27 2.876 6.772 2.828 1.00 0.66 C ATOM 0 H LEU A 27 3.618 6.475 -1.642 1.00 0.46 H new ATOM 0 HA LEU A 27 3.333 5.120 1.044 1.00 0.45 H new ATOM 0 HB2 LEU A 27 2.368 7.673 0.284 1.00 0.51 H new ATOM 0 HB3 LEU A 27 1.016 6.617 -0.075 1.00 0.51 H new ATOM 0 HG LEU A 27 0.902 7.428 2.268 1.00 0.77 H new ATOM 0 HD11 LEU A 27 0.703 5.220 3.377 1.00 1.93 H new ATOM 0 HD12 LEU A 27 0.026 5.173 1.732 1.00 1.93 H new ATOM 0 HD13 LEU A 27 1.630 4.472 2.055 1.00 1.93 H new ATOM 0 HD21 LEU A 27 2.638 6.716 3.890 1.00 0.66 H new ATOM 0 HD22 LEU A 27 3.567 5.970 2.568 1.00 0.66 H new ATOM 0 HD23 LEU A 27 3.338 7.735 2.610 1.00 0.66 H new ATOM 427 N LEU A 28 2.469 3.242 -0.278 1.00 0.33 N ATOM 428 CA LEU A 28 1.808 2.106 -0.977 1.00 0.32 C ATOM 429 C LEU A 28 0.402 1.896 -0.410 1.00 0.29 C ATOM 430 O LEU A 28 0.186 1.970 0.782 1.00 0.35 O ATOM 431 CB LEU A 28 2.703 0.897 -0.682 1.00 0.40 C ATOM 432 CG LEU A 28 2.941 0.089 -1.964 1.00 0.53 C ATOM 433 CD1 LEU A 28 1.615 -0.503 -2.442 1.00 1.12 C ATOM 434 CD2 LEU A 28 3.524 0.996 -3.052 1.00 0.73 C ATOM 0 H LEU A 28 3.134 2.976 0.448 1.00 0.33 H new ATOM 0 HA LEU A 28 1.695 2.275 -2.048 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.656 1.232 -0.272 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.236 0.265 0.073 1.00 0.40 H new ATOM 0 HG LEU A 28 3.647 -0.716 -1.758 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.781 -1.078 -3.353 1.00 1.12 H new ATOM 0 HD12 LEU A 28 1.209 -1.156 -1.670 1.00 1.12 H new ATOM 0 HD13 LEU A 28 0.909 0.302 -2.645 1.00 1.12 H new ATOM 0 HD21 LEU A 28 3.690 0.415 -3.959 1.00 0.73 H new ATOM 0 HD22 LEU A 28 2.826 1.806 -3.263 1.00 0.73 H new ATOM 0 HD23 LEU A 28 4.471 1.413 -2.709 1.00 0.73 H new ATOM 446 N VAL A 29 -0.560 1.645 -1.256 1.00 0.32 N ATOM 447 CA VAL A 29 -1.950 1.443 -0.756 1.00 0.32 C ATOM 448 C VAL A 29 -2.627 0.290 -1.505 1.00 0.34 C ATOM 449 O VAL A 29 -2.669 0.262 -2.719 1.00 0.47 O ATOM 450 CB VAL A 29 -2.671 2.762 -1.039 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.074 2.711 -0.433 1.00 0.37 C ATOM 452 CG2 VAL A 29 -1.888 3.921 -0.416 1.00 0.77 C ATOM 0 H VAL A 29 -0.445 1.571 -2.267 1.00 0.32 H new ATOM 0 HA VAL A 29 -1.970 1.185 0.303 1.00 0.32 H new ATOM 0 HB VAL A 29 -2.742 2.913 -2.116 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -4.591 3.650 -0.633 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.633 1.887 -0.878 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.000 2.560 0.644 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -2.404 4.859 -0.619 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -1.815 3.773 0.661 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -0.887 3.957 -0.846 1.00 0.77 H new ATOM 462 N GLU A 30 -3.158 -0.658 -0.783 1.00 0.32 N ATOM 463 CA GLU A 30 -3.838 -1.813 -1.441 1.00 0.39 C ATOM 464 C GLU A 30 -5.311 -1.862 -1.021 1.00 0.36 C ATOM 465 O GLU A 30 -5.654 -1.574 0.109 1.00 0.42 O ATOM 466 CB GLU A 30 -3.089 -3.050 -0.934 1.00 0.52 C ATOM 467 CG GLU A 30 -3.806 -4.319 -1.405 1.00 0.64 C ATOM 468 CD GLU A 30 -2.982 -5.547 -1.010 1.00 0.89 C ATOM 469 OE1 GLU A 30 -1.769 -5.426 -0.949 1.00 1.60 O ATOM 470 OE2 GLU A 30 -3.578 -6.584 -0.775 1.00 1.48 O ATOM 0 H GLU A 30 -3.151 -0.684 0.237 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.820 -1.745 -2.529 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -2.063 -3.042 -1.303 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.036 -3.034 0.155 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.799 -4.375 -0.959 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.943 -4.292 -2.486 1.00 0.64 H new ATOM 477 N PHE A 31 -6.183 -2.225 -1.921 1.00 0.35 N ATOM 478 CA PHE A 31 -7.629 -2.293 -1.575 1.00 0.36 C ATOM 479 C PHE A 31 -8.092 -3.752 -1.530 1.00 0.39 C ATOM 480 O PHE A 31 -8.058 -4.452 -2.523 1.00 0.49 O ATOM 481 CB PHE A 31 -8.331 -1.547 -2.707 1.00 0.41 C ATOM 482 CG PHE A 31 -8.064 -0.067 -2.581 1.00 0.38 C ATOM 483 CD1 PHE A 31 -8.727 0.682 -1.602 1.00 0.53 C ATOM 484 CD2 PHE A 31 -7.152 0.556 -3.441 1.00 0.45 C ATOM 485 CE1 PHE A 31 -8.480 2.054 -1.485 1.00 0.59 C ATOM 486 CE2 PHE A 31 -6.905 1.928 -3.324 1.00 0.52 C ATOM 487 CZ PHE A 31 -7.566 2.678 -2.346 1.00 0.53 C ATOM 0 H PHE A 31 -5.955 -2.478 -2.883 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.845 -1.860 -0.598 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.975 -1.910 -3.671 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.404 -1.737 -2.671 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -9.429 0.201 -0.937 1.00 0.53 H new ATOM 0 HD2 PHE A 31 -6.639 -0.023 -4.195 1.00 0.45 H new ATOM 0 HE1 PHE A 31 -8.993 2.633 -0.731 1.00 0.59 H new ATOM 0 HE2 PHE A 31 -6.203 2.408 -3.990 1.00 0.52 H new ATOM 0 HZ PHE A 31 -7.373 3.737 -2.254 1.00 0.53 H new ATOM 497 N TYR A 32 -8.527 -4.218 -0.391 1.00 0.37 N ATOM 498 CA TYR A 32 -8.991 -5.634 -0.300 1.00 0.44 C ATOM 499 C TYR A 32 -10.085 -5.772 0.769 1.00 0.40 C ATOM 500 O TYR A 32 -10.592 -4.794 1.281 1.00 0.45 O ATOM 501 CB TYR A 32 -7.739 -6.437 0.082 1.00 0.54 C ATOM 502 CG TYR A 32 -7.329 -6.119 1.503 1.00 0.54 C ATOM 503 CD1 TYR A 32 -6.806 -4.858 1.812 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.463 -7.086 2.506 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.419 -4.563 3.123 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.074 -6.792 3.819 1.00 0.79 C ATOM 507 CZ TYR A 32 -6.589 -5.532 4.138 1.00 0.77 C ATOM 508 OH TYR A 32 -6.168 -5.237 5.420 1.00 0.94 O ATOM 0 H TYR A 32 -8.582 -3.684 0.476 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.428 -5.989 -1.233 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.938 -7.504 -0.017 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.923 -6.200 -0.601 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.701 -4.113 1.038 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -7.866 -8.059 2.267 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -5.992 -3.599 3.359 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -7.152 -7.549 4.586 1.00 0.79 H new ATOM 0 HH TYR A 32 -6.352 -5.999 6.008 1.00 0.94 H new ATOM 518 N ALA A 33 -10.445 -6.980 1.111 1.00 0.40 N ATOM 519 CA ALA A 33 -11.498 -7.176 2.147 1.00 0.44 C ATOM 520 C ALA A 33 -11.042 -8.231 3.161 1.00 0.53 C ATOM 521 O ALA A 33 -10.178 -9.033 2.866 1.00 0.56 O ATOM 522 CB ALA A 33 -12.723 -7.670 1.379 1.00 0.49 C ATOM 0 H ALA A 33 -10.056 -7.837 0.718 1.00 0.40 H new ATOM 0 HA ALA A 33 -11.708 -6.263 2.704 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.545 -7.838 2.075 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -13.018 -6.921 0.643 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.481 -8.603 0.870 1.00 0.49 H new ATOM 528 N PRO A 34 -11.643 -8.209 4.324 1.00 0.63 N ATOM 529 CA PRO A 34 -11.286 -9.195 5.372 1.00 0.78 C ATOM 530 C PRO A 34 -11.749 -10.594 4.958 1.00 0.82 C ATOM 531 O PRO A 34 -11.285 -11.590 5.475 1.00 0.96 O ATOM 532 CB PRO A 34 -12.043 -8.706 6.603 1.00 0.90 C ATOM 533 CG PRO A 34 -13.186 -7.913 6.056 1.00 0.81 C ATOM 534 CD PRO A 34 -12.707 -7.296 4.770 1.00 0.66 C ATOM 0 HA PRO A 34 -10.213 -9.269 5.548 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -12.395 -9.541 7.209 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -11.406 -8.094 7.242 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.051 -8.552 5.880 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -13.496 -7.143 6.763 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -13.509 -7.226 4.036 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -12.329 -6.286 4.926 1.00 0.66 H new ATOM 542 N TRP A 35 -12.658 -10.677 4.022 1.00 0.74 N ATOM 543 CA TRP A 35 -13.142 -12.013 3.574 1.00 0.83 C ATOM 544 C TRP A 35 -12.388 -12.466 2.316 1.00 0.78 C ATOM 545 O TRP A 35 -12.520 -13.593 1.882 1.00 0.92 O ATOM 546 CB TRP A 35 -14.631 -11.821 3.275 1.00 0.91 C ATOM 547 CG TRP A 35 -14.802 -10.835 2.163 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.153 -9.537 2.323 1.00 0.84 C ATOM 549 CD2 TRP A 35 -14.640 -11.042 0.731 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.217 -8.936 1.078 1.00 0.85 N ATOM 551 CE2 TRP A 35 -14.909 -9.822 0.066 1.00 1.19 C ATOM 552 CE3 TRP A 35 -14.290 -12.158 -0.050 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -14.833 -9.713 -1.323 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -14.214 -12.052 -1.448 1.00 2.36 C ATOM 555 CH2 TRP A 35 -14.484 -10.832 -2.083 1.00 2.26 C ATOM 0 H TRP A 35 -13.084 -9.879 3.551 1.00 0.74 H new ATOM 0 HA TRP A 35 -12.976 -12.782 4.329 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.082 -12.775 3.000 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.148 -11.469 4.168 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.351 -9.051 3.267 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.462 -7.957 0.927 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.078 -13.103 0.429 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -15.042 -8.770 -1.807 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -13.946 -12.916 -2.038 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -14.422 -10.757 -3.159 1.00 2.26 H new ATOM 566 N CYS A 36 -11.594 -11.604 1.728 1.00 0.65 N ATOM 567 CA CYS A 36 -10.837 -12.001 0.502 1.00 0.67 C ATOM 568 C CYS A 36 -10.122 -13.341 0.724 1.00 0.84 C ATOM 569 O CYS A 36 -9.892 -13.752 1.844 1.00 1.63 O ATOM 570 CB CYS A 36 -9.821 -10.879 0.292 1.00 0.58 C ATOM 571 SG CYS A 36 -8.804 -11.245 -1.158 1.00 1.07 S ATOM 0 H CYS A 36 -11.439 -10.647 2.043 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.489 -12.133 -0.362 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.337 -9.928 0.156 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.190 -10.776 1.175 1.00 0.58 H new ATOM 576 N GLY A 37 -9.775 -14.026 -0.331 1.00 0.96 N ATOM 577 CA GLY A 37 -9.085 -15.337 -0.171 1.00 1.08 C ATOM 578 C GLY A 37 -7.642 -15.229 -0.668 1.00 1.00 C ATOM 579 O GLY A 37 -6.721 -15.710 -0.038 1.00 1.83 O ATOM 0 H GLY A 37 -9.939 -13.735 -1.295 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.097 -15.639 0.876 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -9.615 -16.108 -0.731 1.00 1.08 H new ATOM 583 N HIS A 38 -7.434 -14.603 -1.794 1.00 0.89 N ATOM 584 CA HIS A 38 -6.044 -14.473 -2.325 1.00 0.97 C ATOM 585 C HIS A 38 -5.310 -13.304 -1.658 1.00 0.88 C ATOM 586 O HIS A 38 -4.210 -12.956 -2.040 1.00 1.13 O ATOM 587 CB HIS A 38 -6.215 -14.214 -3.822 1.00 1.32 C ATOM 588 CG HIS A 38 -6.077 -15.509 -4.572 1.00 1.72 C ATOM 589 ND1 HIS A 38 -4.856 -16.150 -4.724 1.00 2.39 N ATOM 590 CD2 HIS A 38 -6.995 -16.298 -5.218 1.00 2.35 C ATOM 591 CE1 HIS A 38 -5.072 -17.271 -5.435 1.00 2.85 C ATOM 592 NE2 HIS A 38 -6.360 -17.410 -5.762 1.00 2.87 N ATOM 0 H HIS A 38 -8.162 -14.177 -2.368 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.449 -15.364 -2.126 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -7.192 -13.771 -4.016 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -5.467 -13.500 -4.166 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -8.052 -16.088 -5.293 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -4.298 -17.973 -5.708 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -6.786 -18.168 -6.295 1.00 2.87 H new ATOM 600 N CYS A 39 -5.899 -12.693 -0.664 1.00 0.79 N ATOM 601 CA CYS A 39 -5.215 -11.557 0.014 1.00 0.88 C ATOM 602 C CYS A 39 -4.411 -12.067 1.213 1.00 0.82 C ATOM 603 O CYS A 39 -3.497 -11.417 1.680 1.00 1.00 O ATOM 604 CB CYS A 39 -6.342 -10.632 0.473 1.00 1.08 C ATOM 605 SG CYS A 39 -7.229 -10.003 -0.972 1.00 1.00 S ATOM 0 H CYS A 39 -6.820 -12.931 -0.295 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.513 -11.044 -0.643 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.027 -11.172 1.127 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -5.934 -9.804 1.052 1.00 1.08 H new ATOM 610 N LYS A 40 -4.742 -13.228 1.713 1.00 0.78 N ATOM 611 CA LYS A 40 -3.991 -13.775 2.879 1.00 0.94 C ATOM 612 C LYS A 40 -2.679 -14.409 2.407 1.00 0.84 C ATOM 613 O LYS A 40 -1.723 -14.505 3.149 1.00 0.94 O ATOM 614 CB LYS A 40 -4.912 -14.836 3.489 1.00 1.21 C ATOM 615 CG LYS A 40 -6.280 -14.220 3.791 1.00 1.56 C ATOM 616 CD LYS A 40 -6.156 -13.250 4.968 1.00 2.11 C ATOM 617 CE LYS A 40 -6.208 -14.032 6.283 1.00 2.72 C ATOM 618 NZ LYS A 40 -5.120 -13.452 7.119 1.00 3.29 N ATOM 0 H LYS A 40 -5.497 -13.819 1.365 1.00 0.78 H new ATOM 0 HA LYS A 40 -3.731 -13.002 3.602 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -5.024 -15.674 2.801 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -4.471 -15.232 4.404 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -6.656 -13.696 2.912 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -6.999 -15.004 4.027 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -5.220 -12.696 4.899 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -6.963 -12.518 4.936 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -7.178 -13.925 6.768 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -6.052 -15.098 6.115 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -5.092 -13.937 8.038 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -4.208 -13.575 6.635 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -5.299 -12.438 7.268 1.00 3.29 H new ATOM 632 N ALA A 41 -2.627 -14.839 1.175 1.00 0.77 N ATOM 633 CA ALA A 41 -1.376 -15.463 0.657 1.00 0.86 C ATOM 634 C ALA A 41 -0.198 -14.501 0.836 1.00 0.75 C ATOM 635 O ALA A 41 0.809 -14.839 1.426 1.00 0.90 O ATOM 636 CB ALA A 41 -1.643 -15.715 -0.827 1.00 0.93 C ATOM 0 H ALA A 41 -3.395 -14.785 0.506 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.121 -16.382 1.185 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.765 -16.175 -1.282 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.499 -16.382 -0.935 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -1.855 -14.769 -1.324 1.00 0.93 H new ATOM 642 N LEU A 42 -0.318 -13.302 0.336 1.00 0.65 N ATOM 643 CA LEU A 42 0.794 -12.319 0.483 1.00 0.67 C ATOM 644 C LEU A 42 0.543 -11.395 1.682 1.00 0.63 C ATOM 645 O LEU A 42 1.272 -10.450 1.908 1.00 0.70 O ATOM 646 CB LEU A 42 0.789 -11.518 -0.818 1.00 0.82 C ATOM 647 CG LEU A 42 2.187 -10.949 -1.067 1.00 0.86 C ATOM 648 CD1 LEU A 42 3.126 -12.077 -1.501 1.00 1.24 C ATOM 649 CD2 LEU A 42 2.118 -9.889 -2.168 1.00 1.37 C ATOM 0 H LEU A 42 -1.137 -12.960 -0.167 1.00 0.65 H new ATOM 0 HA LEU A 42 1.751 -12.809 0.660 1.00 0.67 H new ATOM 0 HB2 LEU A 42 0.490 -12.156 -1.650 1.00 0.82 H new ATOM 0 HB3 LEU A 42 0.060 -10.710 -0.758 1.00 0.82 H new ATOM 0 HG LEU A 42 2.564 -10.495 -0.150 1.00 0.86 H new ATOM 0 HD11 LEU A 42 4.123 -11.673 -1.679 1.00 1.24 H new ATOM 0 HD12 LEU A 42 3.175 -12.832 -0.716 1.00 1.24 H new ATOM 0 HD13 LEU A 42 2.750 -12.531 -2.418 1.00 1.24 H new ATOM 0 HD21 LEU A 42 3.114 -9.483 -2.346 1.00 1.37 H new ATOM 0 HD22 LEU A 42 1.742 -10.341 -3.085 1.00 1.37 H new ATOM 0 HD23 LEU A 42 1.449 -9.086 -1.858 1.00 1.37 H new ATOM 661 N ALA A 43 -0.478 -11.658 2.457 1.00 0.71 N ATOM 662 CA ALA A 43 -0.761 -10.794 3.637 1.00 0.73 C ATOM 663 C ALA A 43 0.476 -10.695 4.540 1.00 0.67 C ATOM 664 O ALA A 43 0.946 -9.610 4.821 1.00 0.65 O ATOM 665 CB ALA A 43 -1.906 -11.490 4.373 1.00 0.88 C ATOM 0 H ALA A 43 -1.126 -12.434 2.322 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.020 -9.776 3.346 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.174 -10.913 5.258 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.770 -11.565 3.713 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.591 -12.489 4.673 1.00 0.88 H new ATOM 671 N PRO A 44 0.968 -11.833 4.976 1.00 0.69 N ATOM 672 CA PRO A 44 2.160 -11.846 5.860 1.00 0.70 C ATOM 673 C PRO A 44 3.429 -11.472 5.083 1.00 0.59 C ATOM 674 O PRO A 44 4.486 -11.309 5.657 1.00 0.65 O ATOM 675 CB PRO A 44 2.225 -13.287 6.358 1.00 0.83 C ATOM 676 CG PRO A 44 1.515 -14.088 5.315 1.00 0.84 C ATOM 677 CD PRO A 44 0.473 -13.191 4.700 1.00 0.76 C ATOM 0 HA PRO A 44 2.090 -11.122 6.672 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.257 -13.618 6.476 1.00 0.83 H new ATOM 0 HB3 PRO A 44 1.744 -13.391 7.331 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.215 -14.441 4.558 1.00 0.84 H new ATOM 0 HG3 PRO A 44 1.052 -14.970 5.756 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.373 -13.370 3.629 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.509 -13.356 5.144 1.00 0.76 H new ATOM 685 N GLU A 45 3.338 -11.318 3.788 1.00 0.53 N ATOM 686 CA GLU A 45 4.545 -10.938 3.003 1.00 0.46 C ATOM 687 C GLU A 45 4.553 -9.425 2.798 1.00 0.41 C ATOM 688 O GLU A 45 5.591 -8.795 2.741 1.00 0.47 O ATOM 689 CB GLU A 45 4.400 -11.670 1.667 1.00 0.48 C ATOM 690 CG GLU A 45 4.651 -13.165 1.875 1.00 0.61 C ATOM 691 CD GLU A 45 3.320 -13.874 2.142 1.00 1.12 C ATOM 692 OE1 GLU A 45 2.318 -13.433 1.602 1.00 1.83 O ATOM 693 OE2 GLU A 45 3.327 -14.845 2.880 1.00 1.90 O ATOM 0 H GLU A 45 2.484 -11.439 3.244 1.00 0.53 H new ATOM 0 HA GLU A 45 5.477 -11.205 3.500 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.402 -11.511 1.260 1.00 0.48 H new ATOM 0 HB3 GLU A 45 5.108 -11.269 0.942 1.00 0.48 H new ATOM 0 HG2 GLU A 45 5.131 -13.590 0.994 1.00 0.61 H new ATOM 0 HG3 GLU A 45 5.331 -13.317 2.713 1.00 0.61 H new ATOM 700 N TYR A 46 3.394 -8.840 2.702 1.00 0.43 N ATOM 701 CA TYR A 46 3.304 -7.367 2.520 1.00 0.48 C ATOM 702 C TYR A 46 3.495 -6.676 3.883 1.00 0.52 C ATOM 703 O TYR A 46 3.839 -5.513 3.957 1.00 0.69 O ATOM 704 CB TYR A 46 1.891 -7.154 1.924 1.00 0.64 C ATOM 705 CG TYR A 46 1.243 -5.878 2.426 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.537 -5.870 3.636 1.00 1.03 C ATOM 707 CD2 TYR A 46 1.361 -4.702 1.676 1.00 1.02 C ATOM 708 CE1 TYR A 46 -0.049 -4.685 4.093 1.00 1.39 C ATOM 709 CE2 TYR A 46 0.774 -3.520 2.134 1.00 1.38 C ATOM 710 CZ TYR A 46 0.026 -3.540 3.361 1.00 1.50 C ATOM 711 OH TYR A 46 -0.506 -2.343 3.791 1.00 1.95 O ATOM 0 H TYR A 46 2.497 -9.324 2.742 1.00 0.43 H new ATOM 0 HA TYR A 46 4.067 -6.943 1.867 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.958 -7.122 0.837 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.259 -8.005 2.179 1.00 0.64 H new ATOM 0 HD1 TYR A 46 0.445 -6.777 4.215 1.00 1.03 H new ATOM 0 HD2 TYR A 46 1.906 -4.708 0.743 1.00 1.02 H new ATOM 0 HE1 TYR A 46 -0.568 -4.679 5.040 1.00 1.39 H new ATOM 0 HE2 TYR A 46 0.881 -2.603 1.573 1.00 1.38 H new ATOM 0 HH TYR A 46 0.209 -1.679 3.875 1.00 1.95 H new ATOM 721 N ALA A 47 3.274 -7.387 4.959 1.00 0.53 N ATOM 722 CA ALA A 47 3.441 -6.771 6.306 1.00 0.62 C ATOM 723 C ALA A 47 4.897 -6.884 6.768 1.00 0.58 C ATOM 724 O ALA A 47 5.345 -6.142 7.620 1.00 0.68 O ATOM 725 CB ALA A 47 2.522 -7.575 7.226 1.00 0.73 C ATOM 0 H ALA A 47 2.986 -8.365 4.961 1.00 0.53 H new ATOM 0 HA ALA A 47 3.192 -5.710 6.306 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.588 -7.182 8.240 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.494 -7.496 6.873 1.00 0.73 H new ATOM 0 HB3 ALA A 47 2.828 -8.621 7.222 1.00 0.73 H new ATOM 731 N LYS A 48 5.639 -7.808 6.218 1.00 0.51 N ATOM 732 CA LYS A 48 7.062 -7.963 6.638 1.00 0.55 C ATOM 733 C LYS A 48 7.957 -6.974 5.881 1.00 0.53 C ATOM 734 O LYS A 48 8.997 -6.573 6.363 1.00 0.65 O ATOM 735 CB LYS A 48 7.429 -9.402 6.274 1.00 0.60 C ATOM 736 CG LYS A 48 7.711 -10.193 7.552 1.00 1.03 C ATOM 737 CD LYS A 48 7.206 -11.627 7.387 1.00 1.41 C ATOM 738 CE LYS A 48 7.118 -12.300 8.758 1.00 1.92 C ATOM 739 NZ LYS A 48 7.991 -13.502 8.653 1.00 2.47 N ATOM 0 H LYS A 48 5.323 -8.459 5.499 1.00 0.51 H new ATOM 0 HA LYS A 48 7.199 -7.761 7.700 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.615 -9.867 5.718 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.305 -9.413 5.626 1.00 0.60 H new ATOM 0 HG2 LYS A 48 8.780 -10.195 7.763 1.00 1.03 H new ATOM 0 HG3 LYS A 48 7.220 -9.719 8.402 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.227 -11.626 6.908 1.00 1.41 H new ATOM 0 HD3 LYS A 48 7.878 -12.188 6.738 1.00 1.41 H new ATOM 0 HE2 LYS A 48 7.460 -11.632 9.549 1.00 1.92 H new ATOM 0 HE3 LYS A 48 6.091 -12.577 8.997 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 7.983 -14.017 9.556 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 7.638 -14.123 7.897 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 8.963 -13.207 8.432 1.00 2.47 H new ATOM 753 N ALA A 49 7.564 -6.581 4.700 1.00 0.47 N ATOM 754 CA ALA A 49 8.402 -5.623 3.921 1.00 0.50 C ATOM 755 C ALA A 49 8.530 -4.298 4.675 1.00 0.53 C ATOM 756 O ALA A 49 9.555 -3.649 4.639 1.00 0.65 O ATOM 757 CB ALA A 49 7.658 -5.425 2.600 1.00 0.55 C ATOM 0 H ALA A 49 6.703 -6.880 4.242 1.00 0.47 H new ATOM 0 HA ALA A 49 9.415 -5.994 3.763 1.00 0.50 H new ATOM 0 HB1 ALA A 49 8.214 -4.731 1.970 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.563 -6.383 2.089 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.666 -5.020 2.798 1.00 0.55 H new ATOM 763 N ALA A 50 7.500 -3.897 5.361 1.00 0.54 N ATOM 764 CA ALA A 50 7.567 -2.618 6.123 1.00 0.65 C ATOM 765 C ALA A 50 8.363 -2.822 7.417 1.00 0.65 C ATOM 766 O ALA A 50 8.829 -1.878 8.024 1.00 0.77 O ATOM 767 CB ALA A 50 6.113 -2.264 6.436 1.00 0.76 C ATOM 0 H ALA A 50 6.614 -4.398 5.429 1.00 0.54 H new ATOM 0 HA ALA A 50 8.064 -1.826 5.563 1.00 0.65 H new ATOM 0 HB1 ALA A 50 6.079 -1.331 6.998 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.558 -2.148 5.505 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.664 -3.061 7.029 1.00 0.76 H new ATOM 773 N GLY A 51 8.522 -4.047 7.842 1.00 0.59 N ATOM 774 CA GLY A 51 9.285 -4.308 9.092 1.00 0.69 C ATOM 775 C GLY A 51 10.783 -4.368 8.781 1.00 0.78 C ATOM 776 O GLY A 51 11.611 -4.196 9.654 1.00 0.90 O ATOM 0 H GLY A 51 8.156 -4.877 7.376 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.087 -3.522 9.821 1.00 0.69 H new ATOM 0 HA3 GLY A 51 8.959 -5.247 9.539 1.00 0.69 H new ATOM 780 N LYS A 52 11.143 -4.607 7.547 1.00 0.80 N ATOM 781 CA LYS A 52 12.595 -4.674 7.203 1.00 1.01 C ATOM 782 C LYS A 52 13.164 -3.261 7.022 1.00 1.12 C ATOM 783 O LYS A 52 14.356 -3.045 7.108 1.00 1.31 O ATOM 784 CB LYS A 52 12.667 -5.472 5.893 1.00 1.15 C ATOM 785 CG LYS A 52 12.065 -4.663 4.741 1.00 1.49 C ATOM 786 CD LYS A 52 13.148 -4.379 3.698 1.00 1.97 C ATOM 787 CE LYS A 52 13.693 -5.701 3.154 1.00 2.64 C ATOM 788 NZ LYS A 52 15.163 -5.635 3.381 1.00 3.08 N ATOM 0 H LYS A 52 10.501 -4.758 6.769 1.00 0.80 H new ATOM 0 HA LYS A 52 13.183 -5.148 7.989 1.00 1.01 H new ATOM 0 HB2 LYS A 52 13.704 -5.721 5.668 1.00 1.15 H new ATOM 0 HB3 LYS A 52 12.130 -6.414 6.004 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.242 -5.214 4.286 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.652 -3.727 5.117 1.00 1.49 H new ATOM 0 HD2 LYS A 52 12.737 -3.781 2.885 1.00 1.97 H new ATOM 0 HD3 LYS A 52 13.954 -3.797 4.145 1.00 1.97 H new ATOM 0 HE2 LYS A 52 13.252 -6.553 3.672 1.00 2.64 H new ATOM 0 HE3 LYS A 52 13.462 -5.817 2.095 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 15.578 -6.578 3.242 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 15.589 -4.966 2.708 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 15.350 -5.314 4.352 1.00 3.08 H new ATOM 802 N LEU A 53 12.319 -2.298 6.771 1.00 1.12 N ATOM 803 CA LEU A 53 12.811 -0.902 6.582 1.00 1.33 C ATOM 804 C LEU A 53 12.584 -0.077 7.854 1.00 1.30 C ATOM 805 O LEU A 53 13.218 0.938 8.067 1.00 1.50 O ATOM 806 CB LEU A 53 11.996 -0.341 5.410 1.00 1.55 C ATOM 807 CG LEU A 53 10.525 -0.183 5.809 1.00 1.47 C ATOM 808 CD1 LEU A 53 10.312 1.195 6.435 1.00 2.07 C ATOM 809 CD2 LEU A 53 9.646 -0.315 4.564 1.00 1.82 C ATOM 0 H LEU A 53 11.309 -2.417 6.689 1.00 1.12 H new ATOM 0 HA LEU A 53 13.881 -0.868 6.378 1.00 1.33 H new ATOM 0 HB2 LEU A 53 12.402 0.623 5.105 1.00 1.55 H new ATOM 0 HB3 LEU A 53 12.077 -1.007 4.551 1.00 1.55 H new ATOM 0 HG LEU A 53 10.258 -0.956 6.530 1.00 1.47 H new ATOM 0 HD11 LEU A 53 9.266 1.308 6.719 1.00 2.07 H new ATOM 0 HD12 LEU A 53 10.941 1.294 7.320 1.00 2.07 H new ATOM 0 HD13 LEU A 53 10.577 1.967 5.713 1.00 2.07 H new ATOM 0 HD21 LEU A 53 8.599 -0.203 4.845 1.00 1.82 H new ATOM 0 HD22 LEU A 53 9.914 0.460 3.846 1.00 1.82 H new ATOM 0 HD23 LEU A 53 9.798 -1.296 4.114 1.00 1.82 H new ATOM 821 N LYS A 54 11.687 -0.503 8.698 1.00 1.20 N ATOM 822 CA LYS A 54 11.424 0.261 9.952 1.00 1.35 C ATOM 823 C LYS A 54 12.729 0.475 10.723 1.00 1.40 C ATOM 824 O LYS A 54 13.007 1.558 11.201 1.00 1.67 O ATOM 825 CB LYS A 54 10.459 -0.610 10.756 1.00 1.46 C ATOM 826 CG LYS A 54 9.168 0.169 11.013 1.00 1.91 C ATOM 827 CD LYS A 54 8.193 -0.703 11.805 1.00 2.50 C ATOM 828 CE LYS A 54 7.926 -0.061 13.167 1.00 2.87 C ATOM 829 NZ LYS A 54 6.637 0.666 13.002 1.00 3.88 N ATOM 0 H LYS A 54 11.125 -1.345 8.576 1.00 1.20 H new ATOM 0 HA LYS A 54 11.007 1.249 9.754 1.00 1.35 H new ATOM 0 HB2 LYS A 54 10.241 -1.529 10.211 1.00 1.46 H new ATOM 0 HB3 LYS A 54 10.916 -0.901 11.702 1.00 1.46 H new ATOM 0 HG2 LYS A 54 9.386 1.083 11.566 1.00 1.91 H new ATOM 0 HG3 LYS A 54 8.718 0.469 10.067 1.00 1.91 H new ATOM 0 HD2 LYS A 54 7.259 -0.815 11.254 1.00 2.50 H new ATOM 0 HD3 LYS A 54 8.607 -1.703 11.937 1.00 2.50 H new ATOM 0 HE2 LYS A 54 7.857 -0.814 13.952 1.00 2.87 H new ATOM 0 HE3 LYS A 54 8.730 0.619 13.448 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 6.385 1.134 13.896 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 6.735 1.381 12.253 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 5.889 -0.008 12.742 1.00 3.88 H new ATOM 843 N ALA A 55 13.533 -0.545 10.848 1.00 1.63 N ATOM 844 CA ALA A 55 14.819 -0.393 11.589 1.00 2.20 C ATOM 845 C ALA A 55 15.642 0.744 10.982 1.00 2.03 C ATOM 846 O ALA A 55 16.347 1.453 11.673 1.00 2.38 O ATOM 847 CB ALA A 55 15.539 -1.730 11.415 1.00 2.78 C ATOM 0 H ALA A 55 13.356 -1.476 10.470 1.00 1.63 H new ATOM 0 HA ALA A 55 14.665 -0.150 12.640 1.00 2.20 H new ATOM 0 HB1 ALA A 55 16.497 -1.697 11.934 1.00 2.78 H new ATOM 0 HB2 ALA A 55 14.927 -2.530 11.833 1.00 2.78 H new ATOM 0 HB3 ALA A 55 15.707 -1.918 10.354 1.00 2.78 H new ATOM 853 N GLU A 56 15.554 0.923 9.694 1.00 1.67 N ATOM 854 CA GLU A 56 16.325 2.016 9.038 1.00 1.70 C ATOM 855 C GLU A 56 15.520 3.316 9.071 1.00 1.53 C ATOM 856 O GLU A 56 16.069 4.399 9.093 1.00 1.98 O ATOM 857 CB GLU A 56 16.527 1.547 7.596 1.00 1.99 C ATOM 858 CG GLU A 56 17.423 0.307 7.586 1.00 2.69 C ATOM 859 CD GLU A 56 18.886 0.736 7.477 1.00 3.21 C ATOM 860 OE1 GLU A 56 19.187 1.533 6.604 1.00 3.64 O ATOM 861 OE2 GLU A 56 19.683 0.260 8.270 1.00 3.63 O ATOM 0 H GLU A 56 14.981 0.359 9.066 1.00 1.67 H new ATOM 0 HA GLU A 56 17.273 2.214 9.538 1.00 1.70 H new ATOM 0 HB2 GLU A 56 15.565 1.318 7.138 1.00 1.99 H new ATOM 0 HB3 GLU A 56 16.980 2.342 7.004 1.00 1.99 H new ATOM 0 HG2 GLU A 56 17.270 -0.273 8.496 1.00 2.69 H new ATOM 0 HG3 GLU A 56 17.159 -0.339 6.749 1.00 2.69 H new ATOM 868 N GLY A 57 14.220 3.213 9.079 1.00 1.58 N ATOM 869 CA GLY A 57 13.375 4.438 9.115 1.00 2.25 C ATOM 870 C GLY A 57 13.337 5.075 7.725 1.00 1.97 C ATOM 871 O GLY A 57 13.348 6.282 7.587 1.00 2.50 O ATOM 0 H GLY A 57 13.706 2.332 9.062 1.00 1.58 H new ATOM 0 HA2 GLY A 57 12.365 4.186 9.439 1.00 2.25 H new ATOM 0 HA3 GLY A 57 13.775 5.147 9.840 1.00 2.25 H new ATOM 875 N SER A 58 13.294 4.277 6.693 1.00 1.30 N ATOM 876 CA SER A 58 13.254 4.848 5.317 1.00 1.23 C ATOM 877 C SER A 58 12.014 5.728 5.152 1.00 1.03 C ATOM 878 O SER A 58 11.048 5.600 5.877 1.00 1.27 O ATOM 879 CB SER A 58 13.186 3.638 4.384 1.00 1.53 C ATOM 880 OG SER A 58 13.921 2.561 4.947 1.00 2.13 O ATOM 0 H SER A 58 13.285 3.258 6.743 1.00 1.30 H new ATOM 0 HA SER A 58 14.120 5.474 5.102 1.00 1.23 H new ATOM 0 HB2 SER A 58 12.148 3.342 4.230 1.00 1.53 H new ATOM 0 HB3 SER A 58 13.592 3.897 3.406 1.00 1.53 H new ATOM 0 HG SER A 58 14.011 1.844 4.285 1.00 2.13 H new ATOM 886 N GLU A 59 12.034 6.626 4.206 1.00 0.85 N ATOM 887 CA GLU A 59 10.856 7.516 4.000 1.00 0.87 C ATOM 888 C GLU A 59 9.713 6.759 3.313 1.00 0.76 C ATOM 889 O GLU A 59 8.619 7.270 3.174 1.00 1.06 O ATOM 890 CB GLU A 59 11.366 8.645 3.103 1.00 1.10 C ATOM 891 CG GLU A 59 11.843 8.063 1.771 1.00 1.05 C ATOM 892 CD GLU A 59 10.806 7.066 1.249 1.00 1.58 C ATOM 893 OE1 GLU A 59 10.548 6.094 1.938 1.00 2.22 O ATOM 894 OE2 GLU A 59 10.287 7.292 0.168 1.00 2.13 O ATOM 0 H GLU A 59 12.814 6.782 3.567 1.00 0.85 H new ATOM 0 HA GLU A 59 10.458 7.887 4.944 1.00 0.87 H new ATOM 0 HB2 GLU A 59 10.573 9.373 2.931 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.183 9.173 3.594 1.00 1.10 H new ATOM 0 HG2 GLU A 59 11.992 8.862 1.045 1.00 1.05 H new ATOM 0 HG3 GLU A 59 12.805 7.568 1.902 1.00 1.05 H new ATOM 901 N ILE A 60 9.950 5.552 2.872 1.00 0.59 N ATOM 902 CA ILE A 60 8.867 4.786 2.189 1.00 0.57 C ATOM 903 C ILE A 60 7.851 4.272 3.208 1.00 0.52 C ATOM 904 O ILE A 60 8.129 4.175 4.387 1.00 0.63 O ATOM 905 CB ILE A 60 9.554 3.603 1.503 1.00 0.68 C ATOM 906 CG1 ILE A 60 10.771 4.080 0.698 1.00 1.46 C ATOM 907 CG2 ILE A 60 8.563 2.924 0.557 1.00 1.34 C ATOM 908 CD1 ILE A 60 11.996 3.248 1.085 1.00 1.60 C ATOM 0 HA ILE A 60 8.330 5.413 1.477 1.00 0.57 H new ATOM 0 HB ILE A 60 9.888 2.900 2.266 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.575 3.983 -0.370 1.00 1.46 H new ATOM 0 HG13 ILE A 60 10.959 5.136 0.893 1.00 1.46 H new ATOM 0 HG21 ILE A 60 9.048 2.080 0.066 1.00 1.34 H new ATOM 0 HG22 ILE A 60 7.703 2.568 1.125 1.00 1.34 H new ATOM 0 HG23 ILE A 60 8.230 3.639 -0.195 1.00 1.34 H new ATOM 0 HD11 ILE A 60 12.861 3.586 0.514 1.00 1.60 H new ATOM 0 HD12 ILE A 60 12.195 3.367 2.150 1.00 1.60 H new ATOM 0 HD13 ILE A 60 11.806 2.197 0.867 1.00 1.60 H new ATOM 920 N ARG A 61 6.676 3.938 2.756 1.00 0.45 N ATOM 921 CA ARG A 61 5.637 3.423 3.695 1.00 0.45 C ATOM 922 C ARG A 61 4.574 2.618 2.942 1.00 0.41 C ATOM 923 O ARG A 61 4.052 3.049 1.933 1.00 0.55 O ATOM 924 CB ARG A 61 5.017 4.670 4.321 1.00 0.51 C ATOM 925 CG ARG A 61 5.666 4.929 5.678 1.00 0.75 C ATOM 926 CD ARG A 61 4.616 5.471 6.652 1.00 0.97 C ATOM 927 NE ARG A 61 5.241 5.346 7.998 1.00 1.30 N ATOM 928 CZ ARG A 61 4.588 4.767 8.969 1.00 1.66 C ATOM 929 NH1 ARG A 61 4.517 3.465 9.024 1.00 2.19 N ATOM 930 NH2 ARG A 61 4.002 5.489 9.886 1.00 2.21 N ATOM 0 H ARG A 61 6.388 3.998 1.779 1.00 0.45 H new ATOM 0 HA ARG A 61 6.062 2.754 4.443 1.00 0.45 H new ATOM 0 HB2 ARG A 61 5.161 5.529 3.666 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.942 4.536 4.439 1.00 0.51 H new ATOM 0 HG2 ARG A 61 6.098 4.007 6.068 1.00 0.75 H new ATOM 0 HG3 ARG A 61 6.482 5.644 5.572 1.00 0.75 H new ATOM 0 HD2 ARG A 61 4.366 6.508 6.427 1.00 0.97 H new ATOM 0 HD3 ARG A 61 3.689 4.900 6.592 1.00 0.97 H new ATOM 0 HE ARG A 61 6.179 5.713 8.161 1.00 1.30 H new ATOM 0 HH11 ARG A 61 4.972 2.899 8.308 1.00 2.19 H new ATOM 0 HH12 ARG A 61 4.007 3.014 9.783 1.00 2.19 H new ATOM 0 HH21 ARG A 61 4.054 6.507 9.844 1.00 2.21 H new ATOM 0 HH22 ARG A 61 3.492 5.035 10.644 1.00 2.21 H new ATOM 944 N LEU A 62 4.242 1.454 3.434 1.00 0.35 N ATOM 945 CA LEU A 62 3.202 0.623 2.759 1.00 0.36 C ATOM 946 C LEU A 62 1.856 0.820 3.461 1.00 0.32 C ATOM 947 O LEU A 62 1.801 1.219 4.608 1.00 0.38 O ATOM 948 CB LEU A 62 3.681 -0.822 2.910 1.00 0.48 C ATOM 949 CG LEU A 62 5.070 -0.968 2.284 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.782 -2.174 2.902 1.00 1.22 C ATOM 951 CD2 LEU A 62 4.929 -1.178 0.775 1.00 1.59 C ATOM 0 H LEU A 62 4.646 1.042 4.275 1.00 0.35 H new ATOM 0 HA LEU A 62 3.066 0.892 1.711 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.715 -1.097 3.964 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.979 -1.501 2.426 1.00 0.48 H new ATOM 0 HG LEU A 62 5.651 -0.066 2.473 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.772 -2.280 2.457 1.00 1.22 H new ATOM 0 HD12 LEU A 62 5.881 -2.026 3.977 1.00 1.22 H new ATOM 0 HD13 LEU A 62 5.201 -3.076 2.712 1.00 1.22 H new ATOM 0 HD21 LEU A 62 5.918 -1.282 0.328 1.00 1.59 H new ATOM 0 HD22 LEU A 62 4.348 -2.081 0.586 1.00 1.59 H new ATOM 0 HD23 LEU A 62 4.420 -0.321 0.334 1.00 1.59 H new ATOM 963 N ALA A 63 0.765 0.551 2.792 1.00 0.30 N ATOM 964 CA ALA A 63 -0.560 0.742 3.452 1.00 0.32 C ATOM 965 C ALA A 63 -1.622 -0.168 2.826 1.00 0.31 C ATOM 966 O ALA A 63 -1.429 -0.730 1.765 1.00 0.37 O ATOM 967 CB ALA A 63 -0.910 2.211 3.219 1.00 0.37 C ATOM 0 H ALA A 63 0.733 0.212 1.831 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.524 0.489 4.512 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -1.875 2.432 3.676 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.143 2.843 3.667 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -0.962 2.407 2.148 1.00 0.37 H new ATOM 973 N LYS A 64 -2.743 -0.318 3.481 1.00 0.30 N ATOM 974 CA LYS A 64 -3.822 -1.193 2.936 1.00 0.32 C ATOM 975 C LYS A 64 -5.197 -0.607 3.268 1.00 0.32 C ATOM 976 O LYS A 64 -5.350 0.145 4.209 1.00 0.40 O ATOM 977 CB LYS A 64 -3.630 -2.536 3.640 1.00 0.38 C ATOM 978 CG LYS A 64 -3.504 -3.649 2.597 1.00 1.39 C ATOM 979 CD LYS A 64 -3.404 -5.002 3.302 1.00 1.60 C ATOM 980 CE LYS A 64 -3.511 -6.127 2.270 1.00 2.04 C ATOM 981 NZ LYS A 64 -3.503 -7.383 3.070 1.00 2.26 N ATOM 0 H LYS A 64 -2.958 0.129 4.372 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.771 -1.287 1.851 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -2.737 -2.506 4.265 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -4.474 -2.736 4.300 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -4.367 -3.637 1.931 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -2.622 -3.484 1.978 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -2.458 -5.075 3.838 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -4.198 -5.097 4.043 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -4.425 -6.039 1.683 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -2.677 -6.100 1.568 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -3.573 -8.201 2.432 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -2.618 -7.443 3.613 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -4.312 -7.383 3.724 1.00 2.26 H new ATOM 995 N VAL A 65 -6.201 -0.951 2.507 1.00 0.30 N ATOM 996 CA VAL A 65 -7.563 -0.416 2.789 1.00 0.32 C ATOM 997 C VAL A 65 -8.576 -1.554 2.860 1.00 0.31 C ATOM 998 O VAL A 65 -8.495 -2.522 2.129 1.00 0.36 O ATOM 999 CB VAL A 65 -7.894 0.503 1.611 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.323 1.050 1.764 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -6.902 1.667 1.580 1.00 0.70 C ATOM 0 H VAL A 65 -6.137 -1.578 1.705 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.598 0.111 3.742 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.823 -0.062 0.682 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.554 1.704 0.923 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.030 0.221 1.784 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.399 1.614 2.694 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.136 2.323 0.741 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -6.972 2.230 2.511 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -5.890 1.279 1.466 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.543 -1.433 3.721 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.578 -2.493 3.826 1.00 0.39 C ATOM 1013 C ASP A 66 -11.790 -2.096 2.982 1.00 0.40 C ATOM 1014 O ASP A 66 -12.676 -1.407 3.442 1.00 0.44 O ATOM 1015 CB ASP A 66 -10.944 -2.549 5.308 1.00 0.47 C ATOM 1016 CG ASP A 66 -9.772 -3.130 6.102 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -9.588 -4.335 6.052 1.00 1.38 O ATOM 1018 OD2 ASP A 66 -9.077 -2.359 6.743 1.00 1.30 O ATOM 0 H ASP A 66 -9.662 -0.645 4.357 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.231 -3.462 3.466 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.184 -1.550 5.672 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -11.833 -3.163 5.451 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.826 -2.513 1.745 1.00 0.40 N ATOM 1024 CA ALA A 67 -12.977 -2.153 0.860 1.00 0.46 C ATOM 1025 C ALA A 67 -14.309 -2.400 1.576 1.00 0.51 C ATOM 1026 O ALA A 67 -15.309 -1.776 1.282 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.841 -3.075 -0.352 1.00 0.51 C ATOM 0 H ALA A 67 -11.107 -3.089 1.306 1.00 0.40 H new ATOM 0 HA ALA A 67 -12.966 -1.099 0.581 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.651 -2.875 -1.054 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.884 -2.894 -0.841 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.892 -4.114 -0.026 1.00 0.51 H new ATOM 1033 N THR A 68 -14.330 -3.304 2.515 1.00 0.53 N ATOM 1034 CA THR A 68 -15.597 -3.585 3.250 1.00 0.62 C ATOM 1035 C THR A 68 -15.842 -2.523 4.331 1.00 0.64 C ATOM 1036 O THR A 68 -16.876 -2.511 4.970 1.00 0.86 O ATOM 1037 CB THR A 68 -15.389 -4.960 3.886 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.174 -4.961 4.620 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.329 -6.027 2.792 1.00 1.35 C ATOM 0 H THR A 68 -13.526 -3.860 2.806 1.00 0.53 H new ATOM 0 HA THR A 68 -16.465 -3.565 2.591 1.00 0.62 H new ATOM 0 HB THR A 68 -16.219 -5.180 4.558 1.00 0.66 H new ATOM 0 HG1 THR A 68 -14.336 -5.311 5.521 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.181 -7.006 3.247 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.263 -6.025 2.230 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.500 -5.811 2.118 1.00 1.35 H new ATOM 1047 N GLU A 69 -14.909 -1.631 4.544 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.108 -0.584 5.584 1.00 0.61 C ATOM 1049 C GLU A 69 -14.959 0.810 4.966 1.00 0.57 C ATOM 1050 O GLU A 69 -15.577 1.760 5.404 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.006 -0.838 6.614 1.00 0.63 C ATOM 1052 CG GLU A 69 -14.500 -0.429 8.003 1.00 0.83 C ATOM 1053 CD GLU A 69 -14.091 1.018 8.285 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -14.406 1.871 7.472 1.00 2.22 O ATOM 1055 OE2 GLU A 69 -13.470 1.248 9.310 1.00 2.10 O ATOM 0 H GLU A 69 -14.022 -1.584 4.043 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.101 -0.626 6.031 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -13.727 -1.892 6.611 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.112 -0.271 6.353 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -15.584 -0.529 8.059 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -14.079 -1.091 8.760 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.142 0.942 3.956 1.00 0.52 N ATOM 1063 CA GLU A 70 -13.956 2.277 3.321 1.00 0.57 C ATOM 1064 C GLU A 70 -13.780 2.126 1.806 1.00 0.72 C ATOM 1065 O GLU A 70 -12.861 2.664 1.220 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.691 2.860 3.966 1.00 0.71 C ATOM 1067 CG GLU A 70 -11.563 1.822 3.955 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.244 1.427 2.510 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -11.456 2.248 1.633 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -10.792 0.313 2.307 1.00 1.89 O ATOM 0 H GLU A 70 -13.597 0.185 3.544 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.818 2.928 3.471 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -12.378 3.754 3.426 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.904 3.165 4.991 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -10.674 2.231 4.436 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -11.859 0.942 4.527 1.00 1.05 H new ATOM 1077 N SER A 71 -14.661 1.401 1.167 1.00 0.55 N ATOM 1078 CA SER A 71 -14.553 1.217 -0.312 1.00 0.66 C ATOM 1079 C SER A 71 -14.776 2.549 -1.037 1.00 0.70 C ATOM 1080 O SER A 71 -14.474 2.684 -2.207 1.00 0.94 O ATOM 1081 CB SER A 71 -15.660 0.227 -0.682 1.00 0.79 C ATOM 1082 OG SER A 71 -16.738 0.349 0.238 1.00 1.48 O ATOM 0 H SER A 71 -15.451 0.928 1.605 1.00 0.55 H new ATOM 0 HA SER A 71 -13.566 0.855 -0.600 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.011 0.420 -1.696 1.00 0.79 H new ATOM 0 HB3 SER A 71 -15.271 -0.791 -0.668 1.00 0.79 H new ATOM 0 HG SER A 71 -16.687 -0.372 0.899 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.307 3.531 -0.354 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.557 4.855 -1.001 1.00 0.71 C ATOM 1090 C ASP A 72 -14.326 5.315 -1.790 1.00 0.68 C ATOM 1091 O ASP A 72 -14.431 6.067 -2.739 1.00 0.77 O ATOM 1092 CB ASP A 72 -15.836 5.812 0.158 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.338 6.091 0.239 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -17.784 7.018 -0.419 1.00 1.57 O ATOM 1095 OD2 ASP A 72 -18.017 5.376 0.957 1.00 1.83 O ATOM 0 H ASP A 72 -15.579 3.473 0.627 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.383 4.813 -1.710 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.485 5.378 1.094 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.289 6.744 0.014 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.161 4.863 -1.413 1.00 0.63 N ATOM 1101 CA LEU A 73 -11.932 5.268 -2.150 1.00 0.68 C ATOM 1102 C LEU A 73 -11.700 4.316 -3.320 1.00 0.60 C ATOM 1103 O LEU A 73 -11.343 4.721 -4.408 1.00 0.64 O ATOM 1104 CB LEU A 73 -10.795 5.151 -1.132 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.141 5.948 0.129 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.087 5.022 1.345 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.130 7.082 0.308 1.00 0.97 C ATOM 0 H LEU A 73 -13.008 4.231 -0.627 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.004 6.276 -2.558 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -10.630 4.104 -0.877 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -9.867 5.524 -1.565 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.143 6.366 0.033 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -11.333 5.587 2.244 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -11.805 4.212 1.218 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -10.084 4.606 1.441 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.375 7.650 1.205 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.128 6.664 0.406 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -10.165 7.741 -0.559 1.00 0.97 H new ATOM 1119 N ALA A 74 -11.913 3.051 -3.100 1.00 0.57 N ATOM 1120 CA ALA A 74 -11.719 2.060 -4.194 1.00 0.56 C ATOM 1121 C ALA A 74 -12.754 2.298 -5.292 1.00 0.59 C ATOM 1122 O ALA A 74 -12.427 2.379 -6.460 1.00 0.65 O ATOM 1123 CB ALA A 74 -11.933 0.699 -3.531 1.00 0.60 C ATOM 0 H ALA A 74 -12.214 2.659 -2.208 1.00 0.57 H new ATOM 0 HA ALA A 74 -10.736 2.131 -4.660 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -11.807 -0.090 -4.272 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.205 0.565 -2.731 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -12.940 0.651 -3.116 1.00 0.60 H new ATOM 1129 N GLN A 75 -13.999 2.422 -4.928 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.050 2.669 -5.954 1.00 0.76 C ATOM 1131 C GLN A 75 -14.730 3.960 -6.708 1.00 0.78 C ATOM 1132 O GLN A 75 -15.057 4.111 -7.868 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.353 2.810 -5.166 1.00 0.87 C ATOM 1134 CG GLN A 75 -16.769 1.443 -4.620 1.00 1.42 C ATOM 1135 CD GLN A 75 -18.015 0.954 -5.361 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -18.352 1.465 -6.411 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -18.718 -0.022 -4.856 1.00 2.40 N ATOM 0 H GLN A 75 -14.334 2.363 -3.966 1.00 0.64 H new ATOM 0 HA GLN A 75 -15.115 1.869 -6.692 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.220 3.516 -4.346 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -17.137 3.211 -5.808 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -15.956 0.728 -4.743 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -16.973 1.513 -3.551 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -18.436 -0.451 -3.975 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -19.550 -0.356 -5.342 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.082 4.889 -6.056 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.730 6.165 -6.737 1.00 0.84 C ATOM 1148 C GLN A 76 -12.868 5.868 -7.962 1.00 0.83 C ATOM 1149 O GLN A 76 -13.020 6.471 -9.007 1.00 0.94 O ATOM 1150 CB GLN A 76 -12.935 6.962 -5.702 1.00 0.89 C ATOM 1151 CG GLN A 76 -13.167 8.459 -5.922 1.00 1.14 C ATOM 1152 CD GLN A 76 -13.219 9.171 -4.568 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -13.071 8.551 -3.534 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -13.425 10.461 -4.531 1.00 1.97 N ATOM 0 H GLN A 76 -13.783 4.818 -5.084 1.00 0.76 H new ATOM 0 HA GLN A 76 -14.607 6.714 -7.080 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -13.243 6.680 -4.695 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -11.873 6.731 -5.787 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -12.367 8.876 -6.534 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -14.099 8.618 -6.465 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -13.549 10.983 -5.399 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -13.461 10.946 -3.634 1.00 1.97 H new ATOM 1163 N TYR A 77 -11.965 4.936 -7.841 1.00 0.74 N ATOM 1164 CA TYR A 77 -11.093 4.588 -8.994 1.00 0.81 C ATOM 1165 C TYR A 77 -11.853 3.686 -9.964 1.00 0.83 C ATOM 1166 O TYR A 77 -12.002 3.994 -11.130 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.904 3.853 -8.378 1.00 0.80 C ATOM 1168 CG TYR A 77 -9.106 4.822 -7.538 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -8.552 5.965 -8.126 1.00 1.18 C ATOM 1170 CD2 TYR A 77 -8.924 4.580 -6.171 1.00 1.42 C ATOM 1171 CE1 TYR A 77 -7.816 6.867 -7.348 1.00 1.19 C ATOM 1172 CE2 TYR A 77 -8.186 5.482 -5.392 1.00 1.56 C ATOM 1173 CZ TYR A 77 -7.632 6.625 -5.981 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.907 7.513 -5.214 1.00 1.22 O ATOM 0 H TYR A 77 -11.794 4.399 -6.991 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.774 5.462 -9.561 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -10.252 3.022 -7.765 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -9.276 3.429 -9.162 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -8.692 6.151 -9.181 1.00 1.18 H new ATOM 0 HD2 TYR A 77 -9.352 3.699 -5.717 1.00 1.42 H new ATOM 0 HE1 TYR A 77 -7.390 7.749 -7.802 1.00 1.19 H new ATOM 0 HE2 TYR A 77 -8.045 5.295 -4.338 1.00 1.56 H new ATOM 0 HH TYR A 77 -6.917 7.221 -4.279 1.00 1.22 H new ATOM 1184 N GLY A 78 -12.342 2.576 -9.490 1.00 0.78 N ATOM 1185 CA GLY A 78 -13.101 1.657 -10.385 1.00 0.87 C ATOM 1186 C GLY A 78 -12.583 0.221 -10.236 1.00 0.88 C ATOM 1187 O GLY A 78 -13.066 -0.686 -10.886 1.00 1.52 O ATOM 0 H GLY A 78 -12.250 2.264 -8.523 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -14.163 1.695 -10.141 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -13.000 1.982 -11.421 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.610 -0.003 -9.391 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.082 -1.385 -9.218 1.00 0.79 C ATOM 1193 C VAL A 79 -12.230 -2.360 -8.931 1.00 1.13 C ATOM 1194 O VAL A 79 -13.165 -2.044 -8.224 1.00 1.54 O ATOM 1195 CB VAL A 79 -10.125 -1.296 -8.026 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.846 -0.700 -6.817 1.00 0.72 C ATOM 1197 CG2 VAL A 79 -9.624 -2.691 -7.672 1.00 1.30 C ATOM 0 H VAL A 79 -11.161 0.710 -8.816 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.579 -1.753 -10.112 1.00 0.79 H new ATOM 0 HB VAL A 79 -9.284 -0.657 -8.294 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -10.157 -0.641 -5.975 1.00 0.72 H new ATOM 0 HG12 VAL A 79 -11.204 0.300 -7.063 1.00 0.72 H new ATOM 0 HG13 VAL A 79 -11.692 -1.333 -6.550 1.00 0.72 H new ATOM 0 HG21 VAL A 79 -8.943 -2.628 -6.824 1.00 1.30 H new ATOM 0 HG22 VAL A 79 -10.470 -3.326 -7.412 1.00 1.30 H new ATOM 0 HG23 VAL A 79 -9.100 -3.117 -8.527 1.00 1.30 H new ATOM 1207 N ARG A 80 -12.167 -3.542 -9.483 1.00 1.27 N ATOM 1208 CA ARG A 80 -13.257 -4.534 -9.248 1.00 1.72 C ATOM 1209 C ARG A 80 -12.669 -5.928 -9.020 1.00 1.38 C ATOM 1210 O ARG A 80 -13.136 -6.905 -9.571 1.00 1.87 O ATOM 1211 CB ARG A 80 -14.091 -4.511 -10.530 1.00 2.38 C ATOM 1212 CG ARG A 80 -14.960 -3.252 -10.558 1.00 2.85 C ATOM 1213 CD ARG A 80 -15.571 -3.085 -11.951 1.00 3.49 C ATOM 1214 NE ARG A 80 -17.033 -3.294 -11.758 1.00 4.06 N ATOM 1215 CZ ARG A 80 -17.889 -2.635 -12.491 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -18.014 -1.344 -12.346 1.00 5.09 N ATOM 1217 NH2 ARG A 80 -18.621 -3.266 -13.367 1.00 5.25 N ATOM 0 H ARG A 80 -11.409 -3.864 -10.086 1.00 1.27 H new ATOM 0 HA ARG A 80 -13.850 -4.293 -8.366 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -13.437 -4.532 -11.401 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -14.720 -5.400 -10.582 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -15.749 -3.325 -9.809 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -14.360 -2.378 -10.305 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -15.364 -2.095 -12.357 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -15.158 -3.810 -12.653 1.00 3.49 H new ATOM 0 HE ARG A 80 -17.365 -3.952 -11.053 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -17.443 -0.850 -11.660 1.00 5.09 H new ATOM 0 HH12 ARG A 80 -18.683 -0.829 -12.919 1.00 5.09 H new ATOM 0 HH21 ARG A 80 -18.525 -4.275 -13.480 1.00 5.25 H new ATOM 0 HH22 ARG A 80 -19.290 -2.750 -13.939 1.00 5.25 H new ATOM 1231 N GLY A 81 -11.648 -6.031 -8.215 1.00 0.87 N ATOM 1232 CA GLY A 81 -11.036 -7.366 -7.958 1.00 0.81 C ATOM 1233 C GLY A 81 -9.881 -7.218 -6.966 1.00 0.74 C ATOM 1234 O GLY A 81 -8.863 -6.628 -7.268 1.00 1.17 O ATOM 0 H GLY A 81 -11.211 -5.251 -7.725 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -11.785 -8.050 -7.560 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -10.674 -7.797 -8.891 1.00 0.81 H new ATOM 1238 N TYR A 82 -10.030 -7.753 -5.784 1.00 0.61 N ATOM 1239 CA TYR A 82 -8.935 -7.644 -4.774 1.00 0.52 C ATOM 1240 C TYR A 82 -7.992 -8.854 -4.893 1.00 0.54 C ATOM 1241 O TYR A 82 -8.385 -9.881 -5.410 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.634 -7.647 -3.407 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.748 -6.621 -3.378 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.577 -5.392 -4.026 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -11.948 -6.895 -2.706 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -11.601 -4.438 -4.004 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -12.972 -5.941 -2.685 1.00 1.04 C ATOM 1248 CZ TYR A 82 -12.819 -4.735 -3.316 1.00 0.75 C ATOM 1249 OH TYR A 82 -13.807 -3.772 -3.311 1.00 0.85 O ATOM 0 H TYR A 82 -10.859 -8.259 -5.474 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.335 -6.745 -4.917 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.039 -8.638 -3.201 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -8.910 -7.429 -2.622 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -9.653 -5.180 -4.544 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.082 -7.842 -2.205 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -11.473 -3.488 -4.501 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -13.893 -6.158 -2.165 1.00 1.04 H new ATOM 0 HH TYR A 82 -14.582 -4.101 -2.810 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.769 -8.711 -4.415 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.292 -7.455 -3.783 1.00 0.51 C ATOM 1261 C PRO A 83 -5.667 -6.532 -4.835 1.00 0.51 C ATOM 1262 O PRO A 83 -4.723 -6.897 -5.507 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.230 -7.944 -2.806 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.739 -9.254 -3.360 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.714 -9.725 -4.417 1.00 0.64 C ATOM 0 HA PRO A 83 -7.087 -6.882 -3.305 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.415 -7.225 -2.721 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.647 -8.073 -1.807 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.744 -9.135 -3.789 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.656 -9.994 -2.564 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.236 -9.800 -5.394 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.111 -10.712 -4.180 1.00 0.64 H new ATOM 1273 N THR A 84 -6.177 -5.341 -4.981 1.00 0.45 N ATOM 1274 CA THR A 84 -5.597 -4.404 -5.987 1.00 0.45 C ATOM 1275 C THR A 84 -4.553 -3.504 -5.320 1.00 0.43 C ATOM 1276 O THR A 84 -4.876 -2.487 -4.739 1.00 0.52 O ATOM 1277 CB THR A 84 -6.784 -3.584 -6.497 1.00 0.48 C ATOM 1278 OG1 THR A 84 -7.681 -4.444 -7.184 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.283 -2.497 -7.450 1.00 0.56 C ATOM 0 H THR A 84 -6.967 -4.976 -4.450 1.00 0.45 H new ATOM 0 HA THR A 84 -5.091 -4.923 -6.801 1.00 0.45 H new ATOM 0 HB THR A 84 -7.296 -3.116 -5.657 1.00 0.48 H new ATOM 0 HG1 THR A 84 -7.623 -5.346 -6.806 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.129 -1.913 -7.813 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.590 -1.842 -6.922 1.00 0.56 H new ATOM 0 HG23 THR A 84 -5.773 -2.960 -8.295 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.304 -3.878 -5.396 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.234 -3.053 -4.761 1.00 0.41 C ATOM 1289 C ILE A 85 -1.905 -1.838 -5.632 1.00 0.41 C ATOM 1290 O ILE A 85 -1.624 -1.964 -6.808 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.023 -3.983 -4.670 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.369 -5.190 -3.797 1.00 0.89 C ATOM 1293 CG2 ILE A 85 0.153 -3.229 -4.048 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -1.515 -6.433 -4.678 1.00 1.27 C ATOM 0 H ILE A 85 -2.977 -4.720 -5.871 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.536 -2.670 -3.786 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.752 -4.323 -5.670 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -0.589 -5.349 -3.052 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.296 -5.005 -3.254 1.00 0.89 H new ATOM 0 HG21 ILE A 85 1.016 -3.891 -3.983 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.402 -2.368 -4.668 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.120 -2.890 -3.049 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -1.762 -7.293 -4.056 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -2.310 -6.272 -5.406 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -0.577 -6.621 -5.201 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.928 -0.664 -5.063 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.608 0.558 -5.857 1.00 0.40 C ATOM 1308 C LYS A 86 -0.472 1.333 -5.184 1.00 0.38 C ATOM 1309 O LYS A 86 -0.121 1.078 -4.049 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.891 1.393 -5.861 1.00 0.48 C ATOM 1311 CG LYS A 86 -4.069 0.538 -6.335 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.576 1.066 -7.679 1.00 1.03 C ATOM 1313 CE LYS A 86 -5.435 2.310 -7.449 1.00 1.37 C ATOM 1314 NZ LYS A 86 -5.537 2.955 -8.789 1.00 1.73 N ATOM 0 H LYS A 86 -2.154 -0.497 -4.083 1.00 0.37 H new ATOM 0 HA LYS A 86 -1.284 0.315 -6.869 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.089 1.776 -4.860 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.771 2.257 -6.515 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.760 -0.503 -6.434 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -4.871 0.563 -5.597 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -3.734 1.308 -8.327 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -5.159 0.298 -8.187 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -6.419 2.045 -7.061 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -4.975 2.979 -6.722 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -6.113 3.818 -8.716 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -4.586 3.201 -9.129 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -5.984 2.296 -9.458 1.00 1.73 H new ATOM 1328 N PHE A 87 0.102 2.279 -5.872 1.00 0.37 N ATOM 1329 CA PHE A 87 1.214 3.070 -5.268 1.00 0.36 C ATOM 1330 C PHE A 87 0.997 4.564 -5.521 1.00 0.33 C ATOM 1331 O PHE A 87 0.754 4.986 -6.634 1.00 0.37 O ATOM 1332 CB PHE A 87 2.483 2.577 -5.976 1.00 0.42 C ATOM 1333 CG PHE A 87 3.668 3.435 -5.582 1.00 0.46 C ATOM 1334 CD1 PHE A 87 3.818 3.847 -4.251 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.614 3.818 -6.542 1.00 0.81 C ATOM 1336 CE1 PHE A 87 4.911 4.639 -3.882 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.708 4.610 -6.172 1.00 0.97 C ATOM 1338 CZ PHE A 87 5.863 5.023 -4.865 1.00 0.72 C ATOM 0 H PHE A 87 -0.149 2.540 -6.826 1.00 0.37 H new ATOM 0 HA PHE A 87 1.277 2.939 -4.188 1.00 0.36 H new ATOM 0 HB2 PHE A 87 2.674 1.537 -5.713 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.343 2.612 -7.056 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.090 3.553 -3.510 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.499 3.502 -7.568 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.030 4.956 -2.857 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.436 4.900 -6.915 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.707 5.638 -4.589 1.00 0.72 H new ATOM 1348 N PHE A 88 1.083 5.365 -4.497 1.00 0.33 N ATOM 1349 CA PHE A 88 0.883 6.827 -4.677 1.00 0.35 C ATOM 1350 C PHE A 88 2.197 7.574 -4.429 1.00 0.42 C ATOM 1351 O PHE A 88 3.078 7.087 -3.747 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.160 7.200 -3.630 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.523 6.754 -4.106 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -2.239 7.538 -5.017 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -2.068 5.553 -3.635 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.501 7.121 -5.460 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.329 5.137 -4.078 1.00 0.73 C ATOM 1358 CZ PHE A 88 -4.045 5.920 -4.990 1.00 0.62 C ATOM 0 H PHE A 88 1.284 5.069 -3.542 1.00 0.33 H new ATOM 0 HA PHE A 88 0.563 7.088 -5.686 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.078 6.727 -2.677 1.00 0.39 H new ATOM 0 HB3 PHE A 88 -0.155 8.277 -3.462 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.819 8.465 -5.379 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.516 4.948 -2.931 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -4.054 7.726 -6.164 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -3.750 4.211 -3.715 1.00 0.73 H new ATOM 0 HZ PHE A 88 -5.018 5.598 -5.331 1.00 0.62 H new ATOM 1368 N ARG A 89 2.340 8.750 -4.978 1.00 0.47 N ATOM 1369 CA ARG A 89 3.604 9.516 -4.771 1.00 0.55 C ATOM 1370 C ARG A 89 3.309 10.998 -4.516 1.00 0.64 C ATOM 1371 O ARG A 89 2.819 11.702 -5.376 1.00 1.05 O ATOM 1372 CB ARG A 89 4.387 9.345 -6.074 1.00 0.73 C ATOM 1373 CG ARG A 89 3.560 9.884 -7.242 1.00 1.15 C ATOM 1374 CD ARG A 89 4.232 11.134 -7.814 1.00 1.42 C ATOM 1375 NE ARG A 89 3.364 11.551 -8.951 1.00 1.73 N ATOM 1376 CZ ARG A 89 3.881 12.181 -9.970 1.00 2.07 C ATOM 1377 NH1 ARG A 89 4.867 13.017 -9.789 1.00 2.43 N ATOM 1378 NH2 ARG A 89 3.415 11.973 -11.172 1.00 2.56 N ATOM 0 H ARG A 89 1.640 9.212 -5.558 1.00 0.47 H new ATOM 0 HA ARG A 89 4.159 9.156 -3.904 1.00 0.55 H new ATOM 0 HB2 ARG A 89 5.337 9.876 -6.012 1.00 0.73 H new ATOM 0 HB3 ARG A 89 4.620 8.292 -6.235 1.00 0.73 H new ATOM 0 HG2 ARG A 89 3.467 9.123 -8.016 1.00 1.15 H new ATOM 0 HG3 ARG A 89 2.551 10.123 -6.906 1.00 1.15 H new ATOM 0 HD2 ARG A 89 4.305 11.921 -7.064 1.00 1.42 H new ATOM 0 HD3 ARG A 89 5.246 10.918 -8.150 1.00 1.42 H new ATOM 0 HE ARG A 89 2.365 11.344 -8.933 1.00 1.73 H new ATOM 0 HH11 ARG A 89 5.234 13.178 -8.851 1.00 2.43 H new ATOM 0 HH12 ARG A 89 5.271 13.509 -10.586 1.00 2.43 H new ATOM 0 HH21 ARG A 89 2.646 11.318 -11.315 1.00 2.56 H new ATOM 0 HH22 ARG A 89 3.820 12.466 -11.968 1.00 2.56 H new ATOM 1392 N ASN A 90 3.621 11.476 -3.342 1.00 0.57 N ATOM 1393 CA ASN A 90 3.381 12.915 -3.023 1.00 0.68 C ATOM 1394 C ASN A 90 1.949 13.333 -3.378 1.00 0.69 C ATOM 1395 O ASN A 90 1.738 14.302 -4.081 1.00 0.98 O ATOM 1396 CB ASN A 90 4.385 13.676 -3.887 1.00 0.87 C ATOM 1397 CG ASN A 90 4.260 15.176 -3.615 1.00 1.10 C ATOM 1398 OD1 ASN A 90 4.208 15.596 -2.476 1.00 1.65 O ATOM 1399 ND2 ASN A 90 4.207 16.007 -4.620 1.00 1.74 N ATOM 0 H ASN A 90 4.034 10.930 -2.586 1.00 0.57 H new ATOM 0 HA ASN A 90 3.503 13.118 -1.959 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.398 13.339 -3.668 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.202 13.471 -4.942 1.00 0.87 H new ATOM 0 HD21 ASN A 90 4.122 17.009 -4.449 1.00 1.74 H new ATOM 0 HD22 ASN A 90 4.251 15.654 -5.576 1.00 1.74 H new ATOM 1406 N GLY A 91 0.965 12.623 -2.890 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.453 12.993 -3.190 1.00 0.75 C ATOM 1408 C GLY A 91 -0.635 13.243 -4.688 1.00 0.79 C ATOM 1409 O GLY A 91 -0.877 14.354 -5.117 1.00 1.19 O ATOM 0 H GLY A 91 1.081 11.802 -2.296 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.120 12.195 -2.865 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.728 13.887 -2.630 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.524 12.223 -5.487 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.693 12.406 -6.956 1.00 1.27 C ATOM 1415 C ASP A 92 -2.179 12.380 -7.324 1.00 1.14 C ATOM 1416 O ASP A 92 -2.640 13.176 -8.115 1.00 1.70 O ATOM 1417 CB ASP A 92 0.045 11.232 -7.598 1.00 1.93 C ATOM 1418 CG ASP A 92 1.108 11.754 -8.567 1.00 2.15 C ATOM 1419 OD1 ASP A 92 2.217 12.004 -8.121 1.00 2.41 O ATOM 1420 OD2 ASP A 92 0.797 11.895 -9.737 1.00 2.68 O ATOM 0 H ASP A 92 -0.323 11.269 -5.188 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.299 13.363 -7.299 1.00 1.27 H new ATOM 0 HB2 ASP A 92 0.512 10.619 -6.827 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -0.661 10.593 -8.128 1.00 1.93 H new ATOM 1425 N THR A 93 -2.931 11.479 -6.741 1.00 0.96 N ATOM 1426 CA THR A 93 -4.396 11.392 -7.038 1.00 1.33 C ATOM 1427 C THR A 93 -4.643 11.068 -8.520 1.00 1.26 C ATOM 1428 O THR A 93 -5.034 9.970 -8.864 1.00 1.90 O ATOM 1429 CB THR A 93 -4.993 12.761 -6.674 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.089 13.495 -5.857 1.00 2.10 O ATOM 1431 CG2 THR A 93 -6.294 12.542 -5.907 1.00 1.92 C ATOM 0 H THR A 93 -2.590 10.794 -6.066 1.00 0.96 H new ATOM 0 HA THR A 93 -4.862 10.591 -6.464 1.00 1.33 H new ATOM 0 HB THR A 93 -5.179 13.325 -7.588 1.00 1.74 H new ATOM 0 HG1 THR A 93 -4.482 14.365 -5.635 1.00 2.10 H new ATOM 0 HG21 THR A 93 -6.727 13.507 -5.643 1.00 1.92 H new ATOM 0 HG22 THR A 93 -6.995 11.988 -6.531 1.00 1.92 H new ATOM 0 HG23 THR A 93 -6.090 11.975 -4.999 1.00 1.92 H new ATOM 1439 N ALA A 94 -4.427 12.010 -9.398 1.00 1.18 N ATOM 1440 CA ALA A 94 -4.658 11.749 -10.849 1.00 1.18 C ATOM 1441 C ALA A 94 -3.428 11.092 -11.491 1.00 1.14 C ATOM 1442 O ALA A 94 -3.340 10.969 -12.696 1.00 1.48 O ATOM 1443 CB ALA A 94 -4.906 13.128 -11.462 1.00 1.24 C ATOM 0 H ALA A 94 -4.100 12.950 -9.174 1.00 1.18 H new ATOM 0 HA ALA A 94 -5.493 11.067 -11.010 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -5.085 13.024 -12.532 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -5.777 13.584 -10.991 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -4.033 13.760 -11.300 1.00 1.24 H new ATOM 1449 N SER A 95 -2.478 10.666 -10.701 1.00 1.20 N ATOM 1450 CA SER A 95 -1.265 10.019 -11.278 1.00 1.22 C ATOM 1451 C SER A 95 -0.764 8.912 -10.342 1.00 0.98 C ATOM 1452 O SER A 95 0.377 8.928 -9.926 1.00 0.98 O ATOM 1453 CB SER A 95 -0.231 11.140 -11.388 1.00 1.48 C ATOM 1454 OG SER A 95 0.361 11.111 -12.679 1.00 2.01 O ATOM 0 H SER A 95 -2.490 10.738 -9.684 1.00 1.20 H new ATOM 0 HA SER A 95 -1.463 9.554 -12.244 1.00 1.22 H new ATOM 0 HB2 SER A 95 -0.706 12.106 -11.215 1.00 1.48 H new ATOM 0 HB3 SER A 95 0.535 11.020 -10.622 1.00 1.48 H new ATOM 0 HG SER A 95 1.023 11.830 -12.752 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.639 7.983 -10.035 1.00 0.87 N ATOM 1461 CA PRO A 96 -1.267 6.866 -9.134 1.00 0.72 C ATOM 1462 C PRO A 96 -0.382 5.856 -9.871 1.00 0.65 C ATOM 1463 O PRO A 96 -0.196 5.936 -11.069 1.00 0.79 O ATOM 1464 CB PRO A 96 -2.607 6.239 -8.763 1.00 0.79 C ATOM 1465 CG PRO A 96 -3.528 6.592 -9.889 1.00 0.97 C ATOM 1466 CD PRO A 96 -3.035 7.885 -10.486 1.00 1.02 C ATOM 0 HA PRO A 96 -0.699 7.192 -8.263 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -2.519 5.158 -8.650 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -2.976 6.630 -7.815 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.537 5.802 -10.640 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -4.551 6.701 -9.528 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.102 7.872 -11.574 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.625 8.734 -10.140 1.00 1.02 H new ATOM 1474 N LYS A 97 0.163 4.905 -9.163 1.00 0.55 N ATOM 1475 CA LYS A 97 1.033 3.890 -9.821 1.00 0.57 C ATOM 1476 C LYS A 97 0.479 2.484 -9.574 1.00 0.53 C ATOM 1477 O LYS A 97 -0.276 2.258 -8.649 1.00 0.89 O ATOM 1478 CB LYS A 97 2.401 4.054 -9.158 1.00 0.68 C ATOM 1479 CG LYS A 97 3.256 5.016 -9.986 1.00 0.85 C ATOM 1480 CD LYS A 97 4.125 4.218 -10.960 1.00 1.63 C ATOM 1481 CE LYS A 97 4.142 4.917 -12.321 1.00 2.05 C ATOM 1482 NZ LYS A 97 5.234 5.924 -12.223 1.00 2.61 N ATOM 0 H LYS A 97 0.043 4.787 -8.157 1.00 0.55 H new ATOM 0 HA LYS A 97 1.086 4.025 -10.901 1.00 0.57 H new ATOM 0 HB2 LYS A 97 2.282 4.436 -8.144 1.00 0.68 H new ATOM 0 HB3 LYS A 97 2.897 3.087 -9.078 1.00 0.68 H new ATOM 0 HG2 LYS A 97 2.616 5.707 -10.535 1.00 0.85 H new ATOM 0 HG3 LYS A 97 3.885 5.617 -9.330 1.00 0.85 H new ATOM 0 HD2 LYS A 97 5.140 4.131 -10.571 1.00 1.63 H new ATOM 0 HD3 LYS A 97 3.736 3.205 -11.065 1.00 1.63 H new ATOM 0 HE2 LYS A 97 4.330 4.208 -13.127 1.00 2.05 H new ATOM 0 HE3 LYS A 97 3.184 5.393 -12.533 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 5.307 6.445 -13.120 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 5.024 6.590 -11.452 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 6.135 5.442 -12.028 1.00 2.61 H new ATOM 1496 N GLU A 98 0.844 1.538 -10.395 1.00 0.51 N ATOM 1497 CA GLU A 98 0.333 0.151 -10.204 1.00 0.48 C ATOM 1498 C GLU A 98 1.493 -0.811 -9.931 1.00 0.45 C ATOM 1499 O GLU A 98 2.610 -0.591 -10.357 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.359 -0.201 -11.521 1.00 0.61 C ATOM 1501 CG GLU A 98 0.627 -0.028 -12.679 1.00 1.33 C ATOM 1502 CD GLU A 98 0.245 -0.974 -13.820 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -0.932 -1.052 -14.131 1.00 2.79 O ATOM 1504 OE2 GLU A 98 1.137 -1.604 -14.364 1.00 2.61 O ATOM 0 H GLU A 98 1.473 1.665 -11.188 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.345 0.075 -9.354 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -0.723 -1.228 -11.490 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -1.228 0.440 -11.670 1.00 0.61 H new ATOM 0 HG2 GLU A 98 0.616 1.004 -13.029 1.00 1.33 H new ATOM 0 HG3 GLU A 98 1.642 -0.239 -12.341 1.00 1.33 H new ATOM 1511 N TYR A 99 1.235 -1.876 -9.222 1.00 0.45 N ATOM 1512 CA TYR A 99 2.321 -2.853 -8.920 1.00 0.46 C ATOM 1513 C TYR A 99 2.303 -3.996 -9.938 1.00 0.53 C ATOM 1514 O TYR A 99 1.258 -4.432 -10.377 1.00 0.67 O ATOM 1515 CB TYR A 99 2.000 -3.377 -7.521 1.00 0.52 C ATOM 1516 CG TYR A 99 3.251 -3.354 -6.674 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.290 -4.255 -6.935 1.00 1.20 C ATOM 1518 CD2 TYR A 99 3.371 -2.430 -5.629 1.00 1.58 C ATOM 1519 CE1 TYR A 99 5.449 -4.234 -6.150 1.00 1.49 C ATOM 1520 CE2 TYR A 99 4.530 -2.408 -4.844 1.00 2.05 C ATOM 1521 CZ TYR A 99 5.568 -3.310 -5.104 1.00 1.70 C ATOM 1522 OH TYR A 99 6.711 -3.289 -4.329 1.00 2.27 O ATOM 0 H TYR A 99 0.320 -2.112 -8.839 1.00 0.45 H new ATOM 0 HA TYR A 99 3.311 -2.400 -8.970 1.00 0.46 H new ATOM 0 HB2 TYR A 99 1.225 -2.764 -7.061 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.608 -4.392 -7.583 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.198 -4.967 -7.742 1.00 1.20 H new ATOM 0 HD2 TYR A 99 2.570 -1.734 -5.429 1.00 1.58 H new ATOM 0 HE1 TYR A 99 6.251 -4.929 -6.351 1.00 1.49 H new ATOM 0 HE2 TYR A 99 4.623 -1.695 -4.038 1.00 2.05 H new ATOM 0 HH TYR A 99 6.487 -2.986 -3.424 1.00 2.27 H new ATOM 1532 N THR A 100 3.453 -4.487 -10.314 1.00 0.60 N ATOM 1533 CA THR A 100 3.499 -5.603 -11.303 1.00 0.72 C ATOM 1534 C THR A 100 4.190 -6.825 -10.689 1.00 0.83 C ATOM 1535 O THR A 100 4.854 -7.582 -11.370 1.00 1.71 O ATOM 1536 CB THR A 100 4.312 -5.058 -12.478 1.00 0.93 C ATOM 1537 OG1 THR A 100 5.547 -4.544 -11.999 1.00 1.36 O ATOM 1538 CG2 THR A 100 3.526 -3.944 -13.172 1.00 1.13 C ATOM 0 H THR A 100 4.361 -4.165 -9.980 1.00 0.60 H new ATOM 0 HA THR A 100 2.504 -5.924 -11.612 1.00 0.72 H new ATOM 0 HB THR A 100 4.505 -5.860 -13.191 1.00 0.93 H new ATOM 0 HG1 THR A 100 5.401 -3.662 -11.598 1.00 1.36 H new ATOM 0 HG21 THR A 100 4.106 -3.556 -14.009 1.00 1.13 H new ATOM 0 HG22 THR A 100 2.580 -4.341 -13.539 1.00 1.13 H new ATOM 0 HG23 THR A 100 3.331 -3.140 -12.462 1.00 1.13 H new ATOM 1546 N ALA A 101 4.038 -7.024 -9.408 1.00 0.83 N ATOM 1547 CA ALA A 101 4.685 -8.197 -8.751 1.00 1.01 C ATOM 1548 C ALA A 101 3.681 -8.905 -7.838 1.00 1.36 C ATOM 1549 O ALA A 101 2.485 -8.834 -8.039 1.00 1.98 O ATOM 1550 CB ALA A 101 5.833 -7.609 -7.931 1.00 0.87 C ATOM 0 H ALA A 101 3.494 -6.425 -8.787 1.00 0.83 H new ATOM 0 HA ALA A 101 5.037 -8.934 -9.472 1.00 1.01 H new ATOM 0 HB1 ALA A 101 6.360 -8.412 -7.415 1.00 0.87 H new ATOM 0 HB2 ALA A 101 6.524 -7.088 -8.594 1.00 0.87 H new ATOM 0 HB3 ALA A 101 5.435 -6.907 -7.198 1.00 0.87 H new ATOM 1556 N GLY A 102 4.157 -9.590 -6.832 1.00 1.17 N ATOM 1557 CA GLY A 102 3.226 -10.299 -5.908 1.00 1.71 C ATOM 1558 C GLY A 102 3.773 -11.693 -5.599 1.00 1.08 C ATOM 1559 O GLY A 102 3.184 -12.693 -5.958 1.00 1.27 O ATOM 0 H GLY A 102 5.148 -9.689 -6.611 1.00 1.17 H new ATOM 0 HA2 GLY A 102 3.110 -9.730 -4.985 1.00 1.71 H new ATOM 0 HA3 GLY A 102 2.238 -10.377 -6.361 1.00 1.71 H new ATOM 1563 N ARG A 103 4.893 -11.768 -4.933 1.00 0.90 N ATOM 1564 CA ARG A 103 5.473 -13.100 -4.600 1.00 1.11 C ATOM 1565 C ARG A 103 5.769 -13.184 -3.101 1.00 0.94 C ATOM 1566 O ARG A 103 5.514 -14.185 -2.462 1.00 1.04 O ATOM 1567 CB ARG A 103 6.770 -13.184 -5.408 1.00 1.71 C ATOM 1568 CG ARG A 103 6.845 -14.539 -6.115 1.00 2.44 C ATOM 1569 CD ARG A 103 7.071 -15.645 -5.081 1.00 3.16 C ATOM 1570 NE ARG A 103 8.095 -16.537 -5.691 1.00 3.73 N ATOM 1571 CZ ARG A 103 8.256 -17.750 -5.239 1.00 4.34 C ATOM 1572 NH1 ARG A 103 8.271 -17.971 -3.953 1.00 4.84 N ATOM 1573 NH2 ARG A 103 8.402 -18.743 -6.074 1.00 4.81 N ATOM 0 H ARG A 103 5.431 -10.966 -4.605 1.00 0.90 H new ATOM 0 HA ARG A 103 4.793 -13.918 -4.838 1.00 1.11 H new ATOM 0 HB2 ARG A 103 6.807 -12.377 -6.140 1.00 1.71 H new ATOM 0 HB3 ARG A 103 7.630 -13.057 -4.750 1.00 1.71 H new ATOM 0 HG2 ARG A 103 5.923 -14.725 -6.666 1.00 2.44 H new ATOM 0 HG3 ARG A 103 7.656 -14.536 -6.843 1.00 2.44 H new ATOM 0 HD2 ARG A 103 7.419 -15.234 -4.133 1.00 3.16 H new ATOM 0 HD3 ARG A 103 6.148 -16.187 -4.874 1.00 3.16 H new ATOM 0 HE ARG A 103 8.671 -16.200 -6.462 1.00 3.73 H new ATOM 0 HH11 ARG A 103 8.157 -17.195 -3.301 1.00 4.84 H new ATOM 0 HH12 ARG A 103 8.397 -18.920 -3.600 1.00 4.84 H new ATOM 0 HH21 ARG A 103 8.390 -18.570 -7.079 1.00 4.81 H new ATOM 0 HH22 ARG A 103 8.528 -19.692 -5.721 1.00 4.81 H new ATOM 1587 N GLU A 104 6.301 -12.138 -2.540 1.00 0.75 N ATOM 1588 CA GLU A 104 6.614 -12.146 -1.081 1.00 0.66 C ATOM 1589 C GLU A 104 7.131 -10.772 -0.651 1.00 0.56 C ATOM 1590 O GLU A 104 7.400 -9.923 -1.474 1.00 0.57 O ATOM 1591 CB GLU A 104 7.703 -13.207 -0.912 1.00 0.79 C ATOM 1592 CG GLU A 104 8.897 -12.861 -1.803 1.00 1.59 C ATOM 1593 CD GLU A 104 10.095 -13.726 -1.407 1.00 1.87 C ATOM 1594 OE1 GLU A 104 9.878 -14.865 -1.026 1.00 2.04 O ATOM 1595 OE2 GLU A 104 11.209 -13.236 -1.492 1.00 2.51 O ATOM 0 H GLU A 104 6.535 -11.273 -3.028 1.00 0.75 H new ATOM 0 HA GLU A 104 5.738 -12.365 -0.470 1.00 0.66 H new ATOM 0 HB2 GLU A 104 8.017 -13.258 0.131 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.312 -14.190 -1.176 1.00 0.79 H new ATOM 0 HG2 GLU A 104 8.644 -13.028 -2.850 1.00 1.59 H new ATOM 0 HG3 GLU A 104 9.147 -11.805 -1.700 1.00 1.59 H new ATOM 1602 N ALA A 105 7.274 -10.545 0.630 1.00 0.50 N ATOM 1603 CA ALA A 105 7.775 -9.216 1.111 1.00 0.44 C ATOM 1604 C ALA A 105 8.979 -8.753 0.283 1.00 0.45 C ATOM 1605 O ALA A 105 9.227 -7.573 0.136 1.00 0.47 O ATOM 1606 CB ALA A 105 8.179 -9.444 2.566 1.00 0.47 C ATOM 0 H ALA A 105 7.066 -11.220 1.366 1.00 0.50 H new ATOM 0 HA ALA A 105 7.017 -8.439 1.014 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.557 -8.513 2.989 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.312 -9.776 3.137 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.957 -10.206 2.612 1.00 0.47 H new ATOM 1612 N ASP A 106 9.716 -9.674 -0.279 1.00 0.51 N ATOM 1613 CA ASP A 106 10.882 -9.277 -1.112 1.00 0.56 C ATOM 1614 C ASP A 106 10.389 -8.559 -2.367 1.00 0.54 C ATOM 1615 O ASP A 106 10.951 -7.568 -2.790 1.00 0.64 O ATOM 1616 CB ASP A 106 11.583 -10.585 -1.474 1.00 0.67 C ATOM 1617 CG ASP A 106 10.690 -11.767 -1.093 1.00 1.18 C ATOM 1618 OD1 ASP A 106 9.482 -11.623 -1.182 1.00 2.02 O ATOM 1619 OD2 ASP A 106 11.228 -12.796 -0.719 1.00 1.82 O ATOM 0 H ASP A 106 9.560 -10.679 -0.196 1.00 0.51 H new ATOM 0 HA ASP A 106 11.557 -8.597 -0.593 1.00 0.56 H new ATOM 0 HB2 ASP A 106 11.800 -10.610 -2.542 1.00 0.67 H new ATOM 0 HB3 ASP A 106 12.538 -10.654 -0.953 1.00 0.67 H new ATOM 1624 N ASP A 107 9.328 -9.041 -2.960 1.00 0.50 N ATOM 1625 CA ASP A 107 8.797 -8.366 -4.178 1.00 0.52 C ATOM 1626 C ASP A 107 8.454 -6.921 -3.827 1.00 0.51 C ATOM 1627 O ASP A 107 8.777 -5.990 -4.537 1.00 0.63 O ATOM 1628 CB ASP A 107 7.552 -9.185 -4.594 1.00 0.55 C ATOM 1629 CG ASP A 107 7.861 -10.236 -5.675 1.00 0.76 C ATOM 1630 OD1 ASP A 107 8.633 -11.138 -5.396 1.00 1.39 O ATOM 1631 OD2 ASP A 107 7.290 -10.141 -6.748 1.00 1.41 O ATOM 0 H ASP A 107 8.811 -9.866 -2.656 1.00 0.50 H new ATOM 0 HA ASP A 107 9.510 -8.329 -5.002 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.141 -9.684 -3.716 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.783 -8.506 -4.963 1.00 0.55 H new ATOM 1636 N ILE A 108 7.804 -6.748 -2.720 1.00 0.46 N ATOM 1637 CA ILE A 108 7.420 -5.383 -2.265 1.00 0.52 C ATOM 1638 C ILE A 108 8.651 -4.471 -2.251 1.00 0.50 C ATOM 1639 O ILE A 108 8.669 -3.420 -2.860 1.00 0.52 O ATOM 1640 CB ILE A 108 6.888 -5.566 -0.839 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.674 -6.504 -0.837 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.470 -4.207 -0.277 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.605 -5.968 -1.789 1.00 0.68 C ATOM 0 H ILE A 108 7.516 -7.503 -2.098 1.00 0.46 H new ATOM 0 HA ILE A 108 6.680 -4.926 -2.922 1.00 0.52 H new ATOM 0 HB ILE A 108 7.675 -6.001 -0.223 1.00 0.60 H new ATOM 0 HG12 ILE A 108 5.976 -7.506 -1.142 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.268 -6.586 0.171 1.00 0.73 H new ATOM 0 HG21 ILE A 108 6.091 -4.334 0.737 1.00 0.67 H new ATOM 0 HG22 ILE A 108 7.331 -3.539 -0.262 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.689 -3.778 -0.905 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.745 -6.637 -1.784 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.294 -4.975 -1.465 1.00 0.68 H new ATOM 0 HD13 ILE A 108 5.013 -5.909 -2.798 1.00 0.68 H new ATOM 1655 N VAL A 109 9.683 -4.872 -1.556 1.00 0.51 N ATOM 1656 CA VAL A 109 10.915 -4.035 -1.494 1.00 0.56 C ATOM 1657 C VAL A 109 11.523 -3.880 -2.890 1.00 0.51 C ATOM 1658 O VAL A 109 12.018 -2.829 -3.250 1.00 0.55 O ATOM 1659 CB VAL A 109 11.867 -4.804 -0.578 1.00 0.67 C ATOM 1660 CG1 VAL A 109 13.181 -4.032 -0.445 1.00 0.81 C ATOM 1661 CG2 VAL A 109 11.228 -4.965 0.803 1.00 0.86 C ATOM 0 H VAL A 109 9.725 -5.744 -1.029 1.00 0.51 H new ATOM 0 HA VAL A 109 10.713 -3.030 -1.124 1.00 0.56 H new ATOM 0 HB VAL A 109 12.065 -5.788 -1.003 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.860 -4.580 0.208 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.637 -3.917 -1.428 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.983 -3.048 -0.020 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.907 -5.513 1.456 1.00 0.86 H new ATOM 0 HG22 VAL A 109 11.030 -3.982 1.229 1.00 0.86 H new ATOM 0 HG23 VAL A 109 10.292 -5.515 0.709 1.00 0.86 H new ATOM 1671 N ASN A 110 11.491 -4.919 -3.679 1.00 0.50 N ATOM 1672 CA ASN A 110 12.069 -4.833 -5.052 1.00 0.52 C ATOM 1673 C ASN A 110 11.489 -3.630 -5.796 1.00 0.50 C ATOM 1674 O ASN A 110 12.198 -2.714 -6.166 1.00 0.59 O ATOM 1675 CB ASN A 110 11.662 -6.139 -5.736 1.00 0.59 C ATOM 1676 CG ASN A 110 12.824 -7.134 -5.671 1.00 0.98 C ATOM 1677 OD1 ASN A 110 13.635 -7.198 -6.573 1.00 1.65 O ATOM 1678 ND2 ASN A 110 12.937 -7.919 -4.634 1.00 1.29 N ATOM 0 H ASN A 110 11.090 -5.824 -3.433 1.00 0.50 H new ATOM 0 HA ASN A 110 13.151 -4.702 -5.038 1.00 0.52 H new ATOM 0 HB2 ASN A 110 10.782 -6.559 -5.248 1.00 0.59 H new ATOM 0 HB3 ASN A 110 11.390 -5.949 -6.774 1.00 0.59 H new ATOM 0 HD21 ASN A 110 13.707 -8.586 -4.581 1.00 1.29 H new ATOM 0 HD22 ASN A 110 12.256 -7.865 -3.877 1.00 1.29 H new ATOM 1685 N TRP A 111 10.207 -3.622 -6.014 1.00 0.46 N ATOM 1686 CA TRP A 111 9.580 -2.475 -6.729 1.00 0.51 C ATOM 1687 C TRP A 111 9.835 -1.179 -5.955 1.00 0.55 C ATOM 1688 O TRP A 111 9.841 -0.100 -6.513 1.00 0.66 O ATOM 1689 CB TRP A 111 8.086 -2.796 -6.761 1.00 0.55 C ATOM 1690 CG TRP A 111 7.571 -2.657 -8.157 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.742 -3.569 -9.142 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.806 -1.563 -8.741 1.00 0.69 C ATOM 1693 NE1 TRP A 111 7.129 -3.105 -10.292 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.538 -1.873 -10.096 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.321 -0.344 -8.232 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.816 -1.004 -10.916 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.594 0.532 -9.055 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.342 0.203 -10.395 1.00 1.14 C ATOM 0 H TRP A 111 9.563 -4.360 -5.729 1.00 0.46 H new ATOM 0 HA TRP A 111 9.985 -2.336 -7.731 1.00 0.51 H new ATOM 0 HB2 TRP A 111 7.914 -3.810 -6.399 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.545 -2.124 -6.095 1.00 0.55 H new ATOM 0 HD1 TRP A 111 8.271 -4.506 -9.046 1.00 0.73 H new ATOM 0 HE1 TRP A 111 7.115 -3.612 -11.177 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.509 -0.080 -7.202 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.625 -1.263 -11.947 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 5.227 1.465 -8.653 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.783 0.881 -11.023 1.00 1.14 H new ATOM 1709 N LEU A 112 10.045 -1.281 -4.671 1.00 0.55 N ATOM 1710 CA LEU A 112 10.300 -0.060 -3.855 1.00 0.65 C ATOM 1711 C LEU A 112 11.732 0.438 -4.074 1.00 0.65 C ATOM 1712 O LEU A 112 11.982 1.625 -4.146 1.00 0.75 O ATOM 1713 CB LEU A 112 10.102 -0.508 -2.406 1.00 0.74 C ATOM 1714 CG LEU A 112 8.855 0.164 -1.827 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.633 -0.222 -2.661 1.00 1.49 C ATOM 1716 CD2 LEU A 112 8.651 -0.296 -0.382 1.00 1.10 C ATOM 0 H LEU A 112 10.051 -2.159 -4.151 1.00 0.55 H new ATOM 0 HA LEU A 112 9.637 0.763 -4.124 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.997 -1.592 -2.361 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.977 -0.247 -1.811 1.00 0.74 H new ATOM 0 HG LEU A 112 8.983 1.246 -1.849 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.745 0.257 -2.248 1.00 1.49 H new ATOM 0 HD12 LEU A 112 7.777 0.106 -3.691 1.00 1.49 H new ATOM 0 HD13 LEU A 112 7.505 -1.304 -2.639 1.00 1.49 H new ATOM 0 HD21 LEU A 112 7.763 0.183 0.030 1.00 1.10 H new ATOM 0 HD22 LEU A 112 8.524 -1.378 -0.359 1.00 1.10 H new ATOM 0 HD23 LEU A 112 9.521 -0.021 0.214 1.00 1.10 H new ATOM 1728 N LYS A 113 12.677 -0.459 -4.176 1.00 0.62 N ATOM 1729 CA LYS A 113 14.092 -0.031 -4.385 1.00 0.70 C ATOM 1730 C LYS A 113 14.350 0.279 -5.865 1.00 0.75 C ATOM 1731 O LYS A 113 15.341 0.889 -6.214 1.00 1.01 O ATOM 1732 CB LYS A 113 14.935 -1.225 -3.932 1.00 0.79 C ATOM 1733 CG LYS A 113 15.695 -0.860 -2.653 1.00 1.42 C ATOM 1734 CD LYS A 113 15.706 -2.058 -1.701 1.00 1.84 C ATOM 1735 CE LYS A 113 16.914 -1.959 -0.767 1.00 2.39 C ATOM 1736 NZ LYS A 113 17.582 -3.287 -0.857 1.00 2.86 N ATOM 0 H LYS A 113 12.531 -1.467 -4.124 1.00 0.62 H new ATOM 0 HA LYS A 113 14.332 0.876 -3.830 1.00 0.70 H new ATOM 0 HB2 LYS A 113 14.294 -2.089 -3.753 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.637 -1.506 -4.717 1.00 0.79 H new ATOM 0 HG2 LYS A 113 16.716 -0.567 -2.896 1.00 1.42 H new ATOM 0 HG3 LYS A 113 15.224 -0.004 -2.170 1.00 1.42 H new ATOM 0 HD2 LYS A 113 14.785 -2.082 -1.119 1.00 1.84 H new ATOM 0 HD3 LYS A 113 15.748 -2.987 -2.270 1.00 1.84 H new ATOM 0 HE2 LYS A 113 17.586 -1.158 -1.075 1.00 2.39 H new ATOM 0 HE3 LYS A 113 16.605 -1.741 0.255 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 18.421 -3.296 -0.242 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 16.921 -4.030 -0.551 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 17.871 -3.464 -1.840 1.00 2.86 H new ATOM 1750 N LYS A 114 13.472 -0.136 -6.739 1.00 0.71 N ATOM 1751 CA LYS A 114 13.682 0.140 -8.191 1.00 0.89 C ATOM 1752 C LYS A 114 13.555 1.639 -8.485 1.00 1.07 C ATOM 1753 O LYS A 114 13.876 2.096 -9.566 1.00 1.31 O ATOM 1754 CB LYS A 114 12.576 -0.638 -8.907 1.00 0.92 C ATOM 1755 CG LYS A 114 13.199 -1.649 -9.871 1.00 1.45 C ATOM 1756 CD LYS A 114 13.691 -0.923 -11.126 1.00 1.77 C ATOM 1757 CE LYS A 114 12.696 -1.146 -12.269 1.00 2.49 C ATOM 1758 NZ LYS A 114 13.213 -0.319 -13.395 1.00 3.00 N ATOM 0 H LYS A 114 12.622 -0.652 -6.512 1.00 0.71 H new ATOM 0 HA LYS A 114 14.677 -0.159 -8.520 1.00 0.89 H new ATOM 0 HB2 LYS A 114 11.950 -1.153 -8.178 1.00 0.92 H new ATOM 0 HB3 LYS A 114 11.930 0.049 -9.453 1.00 0.92 H new ATOM 0 HG2 LYS A 114 14.029 -2.165 -9.388 1.00 1.45 H new ATOM 0 HG3 LYS A 114 12.466 -2.409 -10.142 1.00 1.45 H new ATOM 0 HD2 LYS A 114 13.796 0.143 -10.924 1.00 1.77 H new ATOM 0 HD3 LYS A 114 14.676 -1.293 -11.410 1.00 1.77 H new ATOM 0 HE2 LYS A 114 12.641 -2.199 -12.545 1.00 2.49 H new ATOM 0 HE3 LYS A 114 11.690 -0.839 -11.983 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 12.584 -0.419 -14.217 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 13.248 0.679 -13.105 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 14.169 -0.639 -13.650 1.00 3.00 H new ATOM 1772 N ARG A 115 13.088 2.414 -7.541 1.00 1.09 N ATOM 1773 CA ARG A 115 12.945 3.877 -7.787 1.00 1.40 C ATOM 1774 C ARG A 115 13.859 4.675 -6.849 1.00 1.25 C ATOM 1775 O ARG A 115 14.127 5.838 -7.074 1.00 1.55 O ATOM 1776 CB ARG A 115 11.477 4.186 -7.494 1.00 1.86 C ATOM 1777 CG ARG A 115 10.807 4.730 -8.759 1.00 2.43 C ATOM 1778 CD ARG A 115 10.761 6.258 -8.694 1.00 2.92 C ATOM 1779 NE ARG A 115 11.345 6.715 -9.987 1.00 3.45 N ATOM 1780 CZ ARG A 115 10.682 7.546 -10.745 1.00 3.99 C ATOM 1781 NH1 ARG A 115 10.751 8.830 -10.523 1.00 4.52 N ATOM 1782 NH2 ARG A 115 9.951 7.092 -11.726 1.00 4.34 N ATOM 0 H ARG A 115 12.801 2.098 -6.615 1.00 1.09 H new ATOM 0 HA ARG A 115 13.227 4.149 -8.804 1.00 1.40 H new ATOM 0 HB2 ARG A 115 10.965 3.285 -7.157 1.00 1.86 H new ATOM 0 HB3 ARG A 115 11.402 4.915 -6.687 1.00 1.86 H new ATOM 0 HG2 ARG A 115 11.359 4.409 -9.643 1.00 2.43 H new ATOM 0 HG3 ARG A 115 9.798 4.329 -8.850 1.00 2.43 H new ATOM 0 HD2 ARG A 115 9.739 6.618 -8.573 1.00 2.92 H new ATOM 0 HD3 ARG A 115 11.334 6.635 -7.847 1.00 2.92 H new ATOM 0 HE ARG A 115 12.262 6.379 -10.280 1.00 3.45 H new ATOM 0 HH11 ARG A 115 11.323 9.185 -9.757 1.00 4.52 H new ATOM 0 HH12 ARG A 115 10.233 9.479 -11.116 1.00 4.52 H new ATOM 0 HH21 ARG A 115 9.898 6.088 -11.900 1.00 4.34 H new ATOM 0 HH22 ARG A 115 9.433 7.741 -12.318 1.00 4.34 H new