USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 28 ASN : amide:sc= -2.68 K(o=-2.7,f=-1.8) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 24 SER OG : rot 180:sc= -1.35 USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.84 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 60 GLN : amide:sc= -5! K(o=-5!,f=-1.6) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-3.6) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 58:sc= 0.897 USER MOD Single : A 83 TYR OH : rot 180:sc= 0.377 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-0.31) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0084 K(o=-0.0084,f=-1.3) USER MOD Single : A 102 THR OG1 : rot 180:sc=0.000219 USER MOD Single : A 105 THR OG1 : rot 162:sc= 1.26 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.773 -33.543 17.398 1.00 0.00 N ATOM 2 CA GLY A 1 -2.631 -32.966 16.713 1.00 0.00 C ATOM 3 C GLY A 1 -2.638 -31.451 16.751 1.00 0.00 C ATOM 4 O GLY A 1 -1.814 -30.836 17.427 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.722 -34.580 17.344 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.765 -33.247 18.395 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.651 -33.215 16.946 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.713 -33.334 17.171 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.626 -33.300 15.676 1.00 0.00 H new ATOM 8 N SER A 2 -3.571 -30.846 16.021 1.00 0.00 N ATOM 9 CA SER A 2 -3.678 -29.393 15.969 1.00 0.00 C ATOM 10 C SER A 2 -5.138 -28.953 16.041 1.00 0.00 C ATOM 11 O SER A 2 -6.028 -29.631 15.528 1.00 0.00 O ATOM 12 CB SER A 2 -3.035 -28.858 14.689 1.00 0.00 C ATOM 13 OG SER A 2 -3.825 -29.167 13.553 1.00 0.00 O ATOM 0 H SER A 2 -4.263 -31.340 15.458 1.00 0.00 H new ATOM 0 HA SER A 2 -3.150 -28.984 16.830 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.909 -27.778 14.765 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.040 -29.287 14.571 1.00 0.00 H new ATOM 0 HG SER A 2 -3.393 -28.813 12.748 1.00 0.00 H new ATOM 19 N SER A 3 -5.375 -27.813 16.681 1.00 0.00 N ATOM 20 CA SER A 3 -6.726 -27.283 16.824 1.00 0.00 C ATOM 21 C SER A 3 -6.877 -25.968 16.065 1.00 0.00 C ATOM 22 O SER A 3 -6.523 -24.903 16.570 1.00 0.00 O ATOM 23 CB SER A 3 -7.061 -27.074 18.302 1.00 0.00 C ATOM 24 OG SER A 3 -8.422 -26.718 18.471 1.00 0.00 O ATOM 0 H SER A 3 -4.649 -27.238 17.109 1.00 0.00 H new ATOM 0 HA SER A 3 -7.421 -28.008 16.401 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.849 -27.987 18.859 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.423 -26.293 18.716 1.00 0.00 H new ATOM 0 HG SER A 3 -8.611 -26.592 19.424 1.00 0.00 H new ATOM 30 N GLY A 4 -7.406 -26.051 14.848 1.00 0.00 N ATOM 31 CA GLY A 4 -7.594 -24.862 14.039 1.00 0.00 C ATOM 32 C GLY A 4 -6.909 -24.964 12.690 1.00 0.00 C ATOM 33 O GLY A 4 -6.907 -26.024 12.066 1.00 0.00 O ATOM 0 H GLY A 4 -7.708 -26.921 14.408 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.660 -24.693 13.890 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.206 -23.996 14.576 1.00 0.00 H new ATOM 37 N SER A 5 -6.326 -23.857 12.239 1.00 0.00 N ATOM 38 CA SER A 5 -5.639 -23.824 10.954 1.00 0.00 C ATOM 39 C SER A 5 -4.185 -24.261 11.104 1.00 0.00 C ATOM 40 O SER A 5 -3.501 -23.866 12.048 1.00 0.00 O ATOM 41 CB SER A 5 -5.702 -22.419 10.354 1.00 0.00 C ATOM 42 OG SER A 5 -7.037 -21.947 10.298 1.00 0.00 O ATOM 0 H SER A 5 -6.316 -22.972 12.745 1.00 0.00 H new ATOM 0 HA SER A 5 -6.142 -24.520 10.283 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.097 -21.738 10.952 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.274 -22.429 9.351 1.00 0.00 H new ATOM 0 HG SER A 5 -7.050 -21.046 9.912 1.00 0.00 H new ATOM 48 N SER A 6 -3.720 -25.079 10.165 1.00 0.00 N ATOM 49 CA SER A 6 -2.348 -25.573 10.194 1.00 0.00 C ATOM 50 C SER A 6 -1.406 -24.605 9.484 1.00 0.00 C ATOM 51 O SER A 6 -0.519 -25.018 8.739 1.00 0.00 O ATOM 52 CB SER A 6 -2.267 -26.953 9.539 1.00 0.00 C ATOM 53 OG SER A 6 -2.738 -27.963 10.415 1.00 0.00 O ATOM 0 H SER A 6 -4.272 -25.413 9.375 1.00 0.00 H new ATOM 0 HA SER A 6 -2.039 -25.654 11.236 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.857 -26.959 8.622 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.236 -27.165 9.256 1.00 0.00 H new ATOM 0 HG SER A 6 -2.677 -28.835 9.972 1.00 0.00 H new ATOM 59 N GLY A 7 -1.607 -23.312 9.722 1.00 0.00 N ATOM 60 CA GLY A 7 -0.770 -22.304 9.099 1.00 0.00 C ATOM 61 C GLY A 7 -1.084 -20.905 9.590 1.00 0.00 C ATOM 62 O GLY A 7 -2.234 -20.591 9.896 1.00 0.00 O ATOM 0 H GLY A 7 -2.335 -22.945 10.335 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.277 -22.530 9.301 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.902 -22.344 8.018 1.00 0.00 H new ATOM 66 N SER A 8 -0.059 -20.062 9.666 1.00 0.00 N ATOM 67 CA SER A 8 -0.231 -18.690 10.128 1.00 0.00 C ATOM 68 C SER A 8 -0.432 -17.741 8.951 1.00 0.00 C ATOM 69 O SER A 8 0.532 -17.288 8.333 1.00 0.00 O ATOM 70 CB SER A 8 0.982 -18.251 10.951 1.00 0.00 C ATOM 71 OG SER A 8 1.111 -19.033 12.125 1.00 0.00 O ATOM 0 H SER A 8 0.899 -20.305 9.414 1.00 0.00 H new ATOM 0 HA SER A 8 -1.121 -18.653 10.757 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.886 -18.341 10.349 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.882 -17.199 11.220 1.00 0.00 H new ATOM 0 HG SER A 8 1.894 -18.734 12.633 1.00 0.00 H new ATOM 77 N ARG A 9 -1.691 -17.444 8.646 1.00 0.00 N ATOM 78 CA ARG A 9 -2.019 -16.550 7.542 1.00 0.00 C ATOM 79 C ARG A 9 -1.265 -15.230 7.669 1.00 0.00 C ATOM 80 O ARG A 9 -1.010 -14.735 8.767 1.00 0.00 O ATOM 81 CB ARG A 9 -3.526 -16.288 7.501 1.00 0.00 C ATOM 82 CG ARG A 9 -4.080 -15.719 8.797 1.00 0.00 C ATOM 83 CD ARG A 9 -4.057 -14.199 8.793 1.00 0.00 C ATOM 84 NE ARG A 9 -4.706 -13.639 9.975 1.00 0.00 N ATOM 85 CZ ARG A 9 -6.017 -13.683 10.185 1.00 0.00 C ATOM 86 NH1 ARG A 9 -6.815 -14.258 9.295 1.00 0.00 N ATOM 87 NH2 ARG A 9 -6.533 -13.151 11.285 1.00 0.00 N ATOM 0 H ARG A 9 -2.500 -17.809 9.148 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.716 -17.033 6.613 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.744 -15.596 6.688 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.042 -17.220 7.273 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.103 -16.068 8.941 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.495 -16.091 9.638 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.025 -13.852 8.748 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.556 -13.831 7.897 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.120 -13.189 10.678 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.422 -14.668 8.447 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.821 -14.291 9.458 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.923 -12.707 11.971 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.540 -13.186 11.444 1.00 0.00 H new ATOM 101 N PRO A 10 -0.899 -14.644 6.519 1.00 0.00 N ATOM 102 CA PRO A 10 -0.169 -13.374 6.475 1.00 0.00 C ATOM 103 C PRO A 10 -1.030 -12.195 6.914 1.00 0.00 C ATOM 104 O PRO A 10 -2.214 -12.121 6.582 1.00 0.00 O ATOM 105 CB PRO A 10 0.214 -13.236 4.999 1.00 0.00 C ATOM 106 CG PRO A 10 -0.808 -14.034 4.266 1.00 0.00 C ATOM 107 CD PRO A 10 -1.169 -15.178 5.173 1.00 0.00 C ATOM 0 HA PRO A 10 0.684 -13.371 7.153 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.203 -12.193 4.683 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.219 -13.615 4.814 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.684 -13.428 4.035 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.413 -14.398 3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.213 -15.468 5.058 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.567 -16.062 4.963 1.00 0.00 H new ATOM 115 N ARG A 11 -0.430 -11.275 7.661 1.00 0.00 N ATOM 116 CA ARG A 11 -1.143 -10.099 8.147 1.00 0.00 C ATOM 117 C ARG A 11 -0.376 -8.823 7.815 1.00 0.00 C ATOM 118 O ARG A 11 0.701 -8.870 7.219 1.00 0.00 O ATOM 119 CB ARG A 11 -1.362 -10.197 9.657 1.00 0.00 C ATOM 120 CG ARG A 11 -1.612 -11.615 10.146 1.00 0.00 C ATOM 121 CD ARG A 11 -0.313 -12.391 10.292 1.00 0.00 C ATOM 122 NE ARG A 11 -0.423 -13.463 11.277 1.00 0.00 N ATOM 123 CZ ARG A 11 -0.599 -13.252 12.577 1.00 0.00 C ATOM 124 NH1 ARG A 11 -0.684 -12.015 13.045 1.00 0.00 N ATOM 125 NH2 ARG A 11 -0.691 -14.280 13.411 1.00 0.00 N ATOM 0 H ARG A 11 0.549 -11.321 7.943 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.112 -10.060 7.648 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.488 -9.794 10.169 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.211 -9.571 9.934 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.129 -11.584 11.105 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.269 -12.132 9.446 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.033 -12.813 9.327 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.485 -11.709 10.586 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.361 -14.427 10.949 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.614 -11.222 12.407 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.819 -11.856 14.043 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.627 -15.233 13.054 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.826 -14.117 14.409 1.00 0.00 H new ATOM 139 N LEU A 12 -0.938 -7.684 8.204 1.00 0.00 N ATOM 140 CA LEU A 12 -0.307 -6.393 7.948 1.00 0.00 C ATOM 141 C LEU A 12 0.473 -5.916 9.169 1.00 0.00 C ATOM 142 O LEU A 12 0.280 -6.418 10.276 1.00 0.00 O ATOM 143 CB LEU A 12 -1.363 -5.354 7.566 1.00 0.00 C ATOM 144 CG LEU A 12 -1.955 -5.484 6.162 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.295 -4.769 6.079 1.00 0.00 C ATOM 146 CD2 LEU A 12 -0.990 -4.933 5.123 1.00 0.00 C ATOM 0 H LEU A 12 -1.829 -7.628 8.698 1.00 0.00 H new ATOM 0 HA LEU A 12 0.390 -6.515 7.119 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.177 -5.410 8.289 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.920 -4.363 7.661 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.117 -6.542 5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.701 -4.872 5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.987 -5.209 6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.158 -3.712 6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.428 -5.034 4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.796 -3.880 5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.054 -5.489 5.165 1.00 0.00 H new ATOM 158 N SER A 13 1.354 -4.943 8.959 1.00 0.00 N ATOM 159 CA SER A 13 2.165 -4.399 10.042 1.00 0.00 C ATOM 160 C SER A 13 1.602 -3.066 10.525 1.00 0.00 C ATOM 161 O SER A 13 0.580 -2.595 10.027 1.00 0.00 O ATOM 162 CB SER A 13 3.613 -4.219 9.582 1.00 0.00 C ATOM 163 OG SER A 13 4.514 -4.371 10.665 1.00 0.00 O ATOM 0 H SER A 13 1.524 -4.515 8.049 1.00 0.00 H new ATOM 0 HA SER A 13 2.141 -5.105 10.872 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.845 -4.949 8.806 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.737 -3.231 9.138 1.00 0.00 H new ATOM 0 HG SER A 13 5.433 -4.253 10.345 1.00 0.00 H new ATOM 169 N GLN A 14 2.278 -2.463 11.498 1.00 0.00 N ATOM 170 CA GLN A 14 1.846 -1.184 12.049 1.00 0.00 C ATOM 171 C GLN A 14 1.705 -0.137 10.949 1.00 0.00 C ATOM 172 O GLN A 14 2.698 0.309 10.371 1.00 0.00 O ATOM 173 CB GLN A 14 2.838 -0.699 13.107 1.00 0.00 C ATOM 174 CG GLN A 14 4.277 -0.660 12.619 1.00 0.00 C ATOM 175 CD GLN A 14 5.261 -0.339 13.726 1.00 0.00 C ATOM 176 OE1 GLN A 14 5.038 0.572 14.525 1.00 0.00 O ATOM 177 NE2 GLN A 14 6.357 -1.086 13.781 1.00 0.00 N ATOM 0 H GLN A 14 3.127 -2.840 11.921 1.00 0.00 H new ATOM 0 HA GLN A 14 0.871 -1.329 12.515 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.547 0.299 13.435 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.776 -1.352 13.978 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.533 -1.624 12.179 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.369 0.086 11.829 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.502 -1.830 13.099 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.055 -0.916 14.505 1.00 0.00 H new ATOM 186 N LEU A 15 0.467 0.251 10.663 1.00 0.00 N ATOM 187 CA LEU A 15 0.196 1.246 9.631 1.00 0.00 C ATOM 188 C LEU A 15 0.255 2.657 10.207 1.00 0.00 C ATOM 189 O LEU A 15 -0.668 3.098 10.892 1.00 0.00 O ATOM 190 CB LEU A 15 -1.175 0.996 9.002 1.00 0.00 C ATOM 191 CG LEU A 15 -1.689 2.084 8.059 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.143 1.875 6.655 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.211 2.103 8.044 1.00 0.00 C ATOM 0 H LEU A 15 -0.365 -0.108 11.131 1.00 0.00 H new ATOM 0 HA LEU A 15 0.963 1.155 8.862 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.134 0.056 8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.902 0.865 9.804 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.338 3.049 8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.520 2.659 5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.054 1.913 6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.464 0.903 6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.558 2.884 7.367 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.584 1.136 7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.582 2.302 9.049 1.00 0.00 H new ATOM 205 N SER A 16 1.346 3.362 9.923 1.00 0.00 N ATOM 206 CA SER A 16 1.526 4.723 10.414 1.00 0.00 C ATOM 207 C SER A 16 1.451 5.728 9.268 1.00 0.00 C ATOM 208 O SER A 16 1.572 5.364 8.099 1.00 0.00 O ATOM 209 CB SER A 16 2.869 4.854 11.135 1.00 0.00 C ATOM 210 OG SER A 16 2.984 3.899 12.175 1.00 0.00 O ATOM 0 H SER A 16 2.118 3.013 9.355 1.00 0.00 H new ATOM 0 HA SER A 16 0.722 4.939 11.117 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.683 4.720 10.422 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.968 5.858 11.547 1.00 0.00 H new ATOM 0 HG SER A 16 3.851 4.002 12.619 1.00 0.00 H new ATOM 216 N VAL A 17 1.249 6.996 9.614 1.00 0.00 N ATOM 217 CA VAL A 17 1.159 8.055 8.616 1.00 0.00 C ATOM 218 C VAL A 17 2.334 9.019 8.730 1.00 0.00 C ATOM 219 O VAL A 17 2.634 9.526 9.811 1.00 0.00 O ATOM 220 CB VAL A 17 -0.156 8.846 8.755 1.00 0.00 C ATOM 221 CG1 VAL A 17 -0.137 10.074 7.858 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.348 7.958 8.433 1.00 0.00 C ATOM 0 H VAL A 17 1.145 7.314 10.577 1.00 0.00 H new ATOM 0 HA VAL A 17 1.183 7.573 7.639 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.251 9.182 9.788 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.074 10.620 7.969 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.695 10.719 8.141 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.019 9.764 6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.268 8.533 8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.262 7.591 7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.369 7.113 9.121 1.00 0.00 H new ATOM 232 N THR A 18 2.998 9.269 7.606 1.00 0.00 N ATOM 233 CA THR A 18 4.142 10.172 7.578 1.00 0.00 C ATOM 234 C THR A 18 3.891 11.348 6.641 1.00 0.00 C ATOM 235 O THR A 18 2.930 11.348 5.872 1.00 0.00 O ATOM 236 CB THR A 18 5.424 9.442 7.136 1.00 0.00 C ATOM 237 OG1 THR A 18 5.444 9.307 5.711 1.00 0.00 O ATOM 238 CG2 THR A 18 5.514 8.068 7.782 1.00 0.00 C ATOM 0 H THR A 18 2.763 8.858 6.702 1.00 0.00 H new ATOM 0 HA THR A 18 4.277 10.543 8.594 1.00 0.00 H new ATOM 0 HB THR A 18 6.282 10.034 7.456 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.263 8.843 5.438 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.427 7.571 7.455 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.528 8.176 8.867 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.651 7.471 7.488 1.00 0.00 H new ATOM 246 N ASP A 19 4.762 12.349 6.710 1.00 0.00 N ATOM 247 CA ASP A 19 4.636 13.532 5.866 1.00 0.00 C ATOM 248 C ASP A 19 3.232 14.120 5.960 1.00 0.00 C ATOM 249 O ASP A 19 2.651 14.531 4.955 1.00 0.00 O ATOM 250 CB ASP A 19 4.960 13.183 4.412 1.00 0.00 C ATOM 251 CG ASP A 19 6.432 13.356 4.090 1.00 0.00 C ATOM 252 OD1 ASP A 19 7.014 14.379 4.506 1.00 0.00 O ATOM 253 OD2 ASP A 19 7.001 12.468 3.420 1.00 0.00 O ATOM 0 H ASP A 19 5.563 12.365 7.342 1.00 0.00 H new ATOM 0 HA ASP A 19 5.347 14.278 6.220 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.666 12.152 4.215 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.369 13.815 3.749 1.00 0.00 H new ATOM 258 N VAL A 20 2.691 14.155 7.174 1.00 0.00 N ATOM 259 CA VAL A 20 1.354 14.693 7.400 1.00 0.00 C ATOM 260 C VAL A 20 1.198 16.065 6.755 1.00 0.00 C ATOM 261 O VAL A 20 1.699 17.066 7.268 1.00 0.00 O ATOM 262 CB VAL A 20 1.042 14.806 8.903 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.440 15.074 9.122 1.00 0.00 C ATOM 264 CG2 VAL A 20 1.477 13.544 9.634 1.00 0.00 C ATOM 0 H VAL A 20 3.158 13.817 8.016 1.00 0.00 H new ATOM 0 HA VAL A 20 0.651 13.997 6.942 1.00 0.00 H new ATOM 0 HB VAL A 20 1.603 15.647 9.311 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.642 15.151 10.190 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.717 16.008 8.632 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.024 14.256 8.700 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.249 13.641 10.695 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.944 12.685 9.226 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.550 13.400 9.505 1.00 0.00 H new ATOM 274 N THR A 21 0.498 16.106 5.625 1.00 0.00 N ATOM 275 CA THR A 21 0.275 17.356 4.909 1.00 0.00 C ATOM 276 C THR A 21 -0.950 18.087 5.447 1.00 0.00 C ATOM 277 O THR A 21 -1.792 17.496 6.123 1.00 0.00 O ATOM 278 CB THR A 21 0.092 17.113 3.399 1.00 0.00 C ATOM 279 OG1 THR A 21 1.124 16.246 2.913 1.00 0.00 O ATOM 280 CG2 THR A 21 0.123 18.426 2.632 1.00 0.00 C ATOM 0 H THR A 21 0.076 15.288 5.186 1.00 0.00 H new ATOM 0 HA THR A 21 1.160 17.972 5.066 1.00 0.00 H new ATOM 0 HB THR A 21 -0.879 16.643 3.244 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.999 16.095 1.953 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.008 18.229 1.568 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.682 19.072 2.983 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.081 18.920 2.794 1.00 0.00 H new ATOM 288 N THR A 22 -1.044 19.378 5.142 1.00 0.00 N ATOM 289 CA THR A 22 -2.166 20.190 5.595 1.00 0.00 C ATOM 290 C THR A 22 -3.496 19.507 5.296 1.00 0.00 C ATOM 291 O THR A 22 -4.339 19.356 6.179 1.00 0.00 O ATOM 292 CB THR A 22 -2.156 21.581 4.932 1.00 0.00 C ATOM 293 OG1 THR A 22 -1.952 21.450 3.521 1.00 0.00 O ATOM 294 CG2 THR A 22 -1.065 22.456 5.529 1.00 0.00 C ATOM 0 H THR A 22 -0.356 19.883 4.583 1.00 0.00 H new ATOM 0 HA THR A 22 -2.056 20.308 6.673 1.00 0.00 H new ATOM 0 HB THR A 22 -3.121 22.054 5.116 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.949 22.338 3.107 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.077 23.433 5.046 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.240 22.578 6.598 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.094 21.985 5.372 1.00 0.00 H new ATOM 302 N SER A 23 -3.676 19.094 4.045 1.00 0.00 N ATOM 303 CA SER A 23 -4.905 18.429 3.629 1.00 0.00 C ATOM 304 C SER A 23 -4.603 17.072 3.003 1.00 0.00 C ATOM 305 O SER A 23 -5.418 16.522 2.261 1.00 0.00 O ATOM 306 CB SER A 23 -5.672 19.303 2.635 1.00 0.00 C ATOM 307 OG SER A 23 -4.985 19.392 1.398 1.00 0.00 O ATOM 0 H SER A 23 -2.986 19.208 3.302 1.00 0.00 H new ATOM 0 HA SER A 23 -5.521 18.272 4.514 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.667 18.888 2.473 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.807 20.301 3.052 1.00 0.00 H new ATOM 0 HG SER A 23 -5.496 19.954 0.780 1.00 0.00 H new ATOM 313 N SER A 24 -3.425 16.536 3.306 1.00 0.00 N ATOM 314 CA SER A 24 -3.012 15.244 2.770 1.00 0.00 C ATOM 315 C SER A 24 -1.984 14.581 3.682 1.00 0.00 C ATOM 316 O SER A 24 -1.575 15.152 4.694 1.00 0.00 O ATOM 317 CB SER A 24 -2.430 15.413 1.366 1.00 0.00 C ATOM 318 OG SER A 24 -1.833 16.689 1.211 1.00 0.00 O ATOM 0 H SER A 24 -2.740 16.976 3.920 1.00 0.00 H new ATOM 0 HA SER A 24 -3.892 14.603 2.716 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.688 14.636 1.181 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.218 15.284 0.624 1.00 0.00 H new ATOM 0 HG SER A 24 -1.467 16.771 0.306 1.00 0.00 H new ATOM 324 N LEU A 25 -1.571 13.373 3.317 1.00 0.00 N ATOM 325 CA LEU A 25 -0.590 12.630 4.101 1.00 0.00 C ATOM 326 C LEU A 25 -0.148 11.368 3.367 1.00 0.00 C ATOM 327 O LEU A 25 -0.603 11.093 2.256 1.00 0.00 O ATOM 328 CB LEU A 25 -1.173 12.262 5.466 1.00 0.00 C ATOM 329 CG LEU A 25 -2.687 12.052 5.515 1.00 0.00 C ATOM 330 CD1 LEU A 25 -3.046 10.648 5.054 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.215 12.306 6.920 1.00 0.00 C ATOM 0 H LEU A 25 -1.900 12.886 2.483 1.00 0.00 H new ATOM 0 HA LEU A 25 0.282 13.268 4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.688 11.349 5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.912 13.049 6.174 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.156 12.765 4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.127 10.517 5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.702 10.502 4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.567 9.917 5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.294 12.152 6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.739 11.617 7.618 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.990 13.331 7.213 1.00 0.00 H new ATOM 343 N ARG A 26 0.739 10.604 3.995 1.00 0.00 N ATOM 344 CA ARG A 26 1.241 9.371 3.402 1.00 0.00 C ATOM 345 C ARG A 26 1.202 8.226 4.411 1.00 0.00 C ATOM 346 O ARG A 26 1.402 8.433 5.608 1.00 0.00 O ATOM 347 CB ARG A 26 2.671 9.569 2.895 1.00 0.00 C ATOM 348 CG ARG A 26 3.195 8.399 2.077 1.00 0.00 C ATOM 349 CD ARG A 26 4.700 8.488 1.879 1.00 0.00 C ATOM 350 NE ARG A 26 5.164 7.607 0.811 1.00 0.00 N ATOM 351 CZ ARG A 26 4.864 7.784 -0.471 1.00 0.00 C ATOM 352 NH1 ARG A 26 4.105 8.805 -0.842 1.00 0.00 N ATOM 353 NH2 ARG A 26 5.325 6.939 -1.384 1.00 0.00 N ATOM 0 H ARG A 26 1.125 10.817 4.915 1.00 0.00 H new ATOM 0 HA ARG A 26 0.597 9.114 2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.710 10.473 2.287 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.331 9.730 3.748 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.948 7.463 2.578 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.700 8.381 1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.975 9.517 1.646 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.204 8.227 2.809 1.00 0.00 H new ATOM 0 HE ARG A 26 5.751 6.812 1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.750 9.457 -0.143 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.876 8.939 -1.827 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.910 6.153 -1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.094 7.076 -2.368 1.00 0.00 H new ATOM 367 N LEU A 27 0.942 7.020 3.919 1.00 0.00 N ATOM 368 CA LEU A 27 0.875 5.842 4.777 1.00 0.00 C ATOM 369 C LEU A 27 2.024 4.885 4.478 1.00 0.00 C ATOM 370 O LEU A 27 2.648 4.960 3.421 1.00 0.00 O ATOM 371 CB LEU A 27 -0.463 5.125 4.590 1.00 0.00 C ATOM 372 CG LEU A 27 -1.645 5.695 5.375 1.00 0.00 C ATOM 373 CD1 LEU A 27 -2.955 5.390 4.664 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.663 5.140 6.791 1.00 0.00 C ATOM 0 H LEU A 27 0.774 6.832 2.931 1.00 0.00 H new ATOM 0 HA LEU A 27 0.961 6.172 5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.716 5.140 3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.335 4.080 4.872 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.530 6.777 5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.785 5.803 5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.942 5.837 3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.078 4.311 4.575 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.511 5.557 7.334 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.753 4.054 6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.738 5.411 7.300 1.00 0.00 H new ATOM 386 N ASN A 28 2.297 3.984 5.417 1.00 0.00 N ATOM 387 CA ASN A 28 3.370 3.010 5.252 1.00 0.00 C ATOM 388 C ASN A 28 3.111 1.768 6.100 1.00 0.00 C ATOM 389 O ASN A 28 2.959 1.856 7.318 1.00 0.00 O ATOM 390 CB ASN A 28 4.714 3.632 5.636 1.00 0.00 C ATOM 391 CG ASN A 28 5.037 4.864 4.813 1.00 0.00 C ATOM 392 OD1 ASN A 28 5.578 4.765 3.712 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.705 6.034 5.346 1.00 0.00 N ATOM 0 H ASN A 28 1.790 3.908 6.299 1.00 0.00 H new ATOM 0 HA ASN A 28 3.401 2.713 4.204 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.699 3.898 6.693 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.504 2.893 5.504 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.897 6.898 4.839 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.258 6.069 6.262 1.00 0.00 H new ATOM 400 N TRP A 29 3.064 0.612 5.446 1.00 0.00 N ATOM 401 CA TRP A 29 2.825 -0.648 6.140 1.00 0.00 C ATOM 402 C TRP A 29 3.698 -1.759 5.567 1.00 0.00 C ATOM 403 O TRP A 29 4.013 -1.761 4.378 1.00 0.00 O ATOM 404 CB TRP A 29 1.349 -1.039 6.037 1.00 0.00 C ATOM 405 CG TRP A 29 0.891 -1.263 4.627 1.00 0.00 C ATOM 406 CD1 TRP A 29 0.906 -2.442 3.939 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.353 -0.281 3.735 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.409 -2.253 2.672 1.00 0.00 N ATOM 409 CE2 TRP A 29 0.062 -0.936 2.522 1.00 0.00 C ATOM 410 CE3 TRP A 29 0.087 1.086 3.842 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.480 -0.268 1.427 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.451 1.748 2.755 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.731 1.070 1.560 1.00 0.00 C ATOM 0 H TRP A 29 3.188 0.522 4.438 1.00 0.00 H new ATOM 0 HA TRP A 29 3.085 -0.511 7.190 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.180 -1.947 6.615 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.741 -0.256 6.489 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.257 -3.385 4.333 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.314 -2.976 1.959 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.298 1.617 4.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.695 -0.788 0.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.659 2.805 2.827 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.153 1.615 0.728 1.00 0.00 H new ATOM 424 N GLU A 30 4.086 -2.701 6.421 1.00 0.00 N ATOM 425 CA GLU A 30 4.924 -3.817 5.998 1.00 0.00 C ATOM 426 C GLU A 30 4.104 -5.097 5.875 1.00 0.00 C ATOM 427 O GLU A 30 3.265 -5.394 6.725 1.00 0.00 O ATOM 428 CB GLU A 30 6.071 -4.026 6.989 1.00 0.00 C ATOM 429 CG GLU A 30 6.910 -5.260 6.698 1.00 0.00 C ATOM 430 CD GLU A 30 7.926 -5.027 5.596 1.00 0.00 C ATOM 431 OE1 GLU A 30 8.288 -3.855 5.361 1.00 0.00 O ATOM 432 OE2 GLU A 30 8.358 -6.017 4.969 1.00 0.00 O ATOM 0 H GLU A 30 3.834 -2.714 7.409 1.00 0.00 H new ATOM 0 HA GLU A 30 5.338 -3.576 5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.716 -3.147 6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.660 -4.105 7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.429 -5.565 7.607 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.254 -6.083 6.414 1.00 0.00 H new ATOM 439 N ALA A 31 4.352 -5.852 4.809 1.00 0.00 N ATOM 440 CA ALA A 31 3.638 -7.101 4.574 1.00 0.00 C ATOM 441 C ALA A 31 4.573 -8.172 4.023 1.00 0.00 C ATOM 442 O ALA A 31 5.498 -7.891 3.261 1.00 0.00 O ATOM 443 CB ALA A 31 2.474 -6.872 3.621 1.00 0.00 C ATOM 0 H ALA A 31 5.042 -5.620 4.095 1.00 0.00 H new ATOM 0 HA ALA A 31 3.247 -7.453 5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.950 -7.813 3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.787 -6.145 4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.851 -6.493 2.671 1.00 0.00 H new ATOM 449 N PRO A 32 4.329 -9.431 4.417 1.00 0.00 N ATOM 450 CA PRO A 32 5.139 -10.570 3.975 1.00 0.00 C ATOM 451 C PRO A 32 4.933 -10.888 2.498 1.00 0.00 C ATOM 452 O PRO A 32 4.037 -10.357 1.842 1.00 0.00 O ATOM 453 CB PRO A 32 4.635 -11.723 4.846 1.00 0.00 C ATOM 454 CG PRO A 32 3.244 -11.339 5.215 1.00 0.00 C ATOM 455 CD PRO A 32 3.244 -9.839 5.325 1.00 0.00 C ATOM 0 HA PRO A 32 6.207 -10.376 4.078 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.654 -12.667 4.302 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.258 -11.852 5.731 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.533 -11.675 4.460 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.949 -11.799 6.158 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.287 -9.414 5.024 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.431 -9.511 6.348 1.00 0.00 H new ATOM 463 N PRO A 33 5.782 -11.776 1.959 1.00 0.00 N ATOM 464 CA PRO A 33 5.712 -12.186 0.553 1.00 0.00 C ATOM 465 C PRO A 33 4.481 -13.036 0.258 1.00 0.00 C ATOM 466 O PRO A 33 4.146 -13.945 1.016 1.00 0.00 O ATOM 467 CB PRO A 33 6.989 -13.009 0.360 1.00 0.00 C ATOM 468 CG PRO A 33 7.322 -13.516 1.720 1.00 0.00 C ATOM 469 CD PRO A 33 6.875 -12.449 2.681 1.00 0.00 C ATOM 0 HA PRO A 33 5.634 -11.331 -0.118 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.829 -13.829 -0.340 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.797 -12.398 -0.043 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.814 -14.459 1.920 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.391 -13.704 1.815 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.531 -12.875 3.623 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.684 -11.759 2.920 1.00 0.00 H new ATOM 477 N GLY A 34 3.811 -12.734 -0.850 1.00 0.00 N ATOM 478 CA GLY A 34 2.624 -13.480 -1.226 1.00 0.00 C ATOM 479 C GLY A 34 1.506 -13.340 -0.213 1.00 0.00 C ATOM 480 O GLY A 34 0.665 -14.228 -0.080 1.00 0.00 O ATOM 0 H GLY A 34 4.069 -11.986 -1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.274 -13.134 -2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.881 -14.534 -1.336 1.00 0.00 H new ATOM 484 N ALA A 35 1.497 -12.221 0.505 1.00 0.00 N ATOM 485 CA ALA A 35 0.474 -11.968 1.512 1.00 0.00 C ATOM 486 C ALA A 35 -0.878 -11.691 0.863 1.00 0.00 C ATOM 487 O ALA A 35 -1.860 -12.382 1.132 1.00 0.00 O ATOM 488 CB ALA A 35 0.884 -10.802 2.400 1.00 0.00 C ATOM 0 H ALA A 35 2.187 -11.476 0.408 1.00 0.00 H new ATOM 0 HA ALA A 35 0.376 -12.862 2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.111 -10.624 3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.824 -11.038 2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.012 -9.908 1.790 1.00 0.00 H new ATOM 494 N PHE A 36 -0.921 -10.675 0.007 1.00 0.00 N ATOM 495 CA PHE A 36 -2.154 -10.306 -0.679 1.00 0.00 C ATOM 496 C PHE A 36 -1.861 -9.806 -2.091 1.00 0.00 C ATOM 497 O PHE A 36 -0.771 -9.307 -2.371 1.00 0.00 O ATOM 498 CB PHE A 36 -2.899 -9.228 0.111 1.00 0.00 C ATOM 499 CG PHE A 36 -2.773 -9.381 1.600 1.00 0.00 C ATOM 500 CD1 PHE A 36 -1.692 -8.838 2.276 1.00 0.00 C ATOM 501 CD2 PHE A 36 -3.734 -10.069 2.323 1.00 0.00 C ATOM 502 CE1 PHE A 36 -1.573 -8.977 3.646 1.00 0.00 C ATOM 503 CE2 PHE A 36 -3.621 -10.210 3.693 1.00 0.00 C ATOM 504 CZ PHE A 36 -2.539 -9.665 4.355 1.00 0.00 C ATOM 0 H PHE A 36 -0.117 -10.093 -0.228 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.782 -11.194 -0.749 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.519 -8.248 -0.179 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.954 -9.254 -0.161 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.934 -8.300 1.726 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.581 -10.500 1.810 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.726 -8.548 4.162 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.379 -10.746 4.245 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.448 -9.776 5.425 1.00 0.00 H new ATOM 514 N ASP A 37 -2.842 -9.945 -2.976 1.00 0.00 N ATOM 515 CA ASP A 37 -2.691 -9.508 -4.359 1.00 0.00 C ATOM 516 C ASP A 37 -2.656 -7.986 -4.447 1.00 0.00 C ATOM 517 O ASP A 37 -1.804 -7.413 -5.127 1.00 0.00 O ATOM 518 CB ASP A 37 -3.834 -10.055 -5.216 1.00 0.00 C ATOM 519 CG ASP A 37 -3.835 -9.475 -6.617 1.00 0.00 C ATOM 520 OD1 ASP A 37 -2.941 -9.837 -7.411 1.00 0.00 O ATOM 521 OD2 ASP A 37 -4.730 -8.660 -6.921 1.00 0.00 O ATOM 0 H ASP A 37 -3.750 -10.357 -2.760 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.745 -9.897 -4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.753 -11.140 -5.275 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.785 -9.832 -4.733 1.00 0.00 H new ATOM 526 N SER A 38 -3.587 -7.336 -3.756 1.00 0.00 N ATOM 527 CA SER A 38 -3.665 -5.880 -3.760 1.00 0.00 C ATOM 528 C SER A 38 -4.099 -5.356 -2.395 1.00 0.00 C ATOM 529 O SER A 38 -4.336 -6.129 -1.467 1.00 0.00 O ATOM 530 CB SER A 38 -4.643 -5.404 -4.836 1.00 0.00 C ATOM 531 OG SER A 38 -5.865 -6.119 -4.768 1.00 0.00 O ATOM 0 H SER A 38 -4.298 -7.795 -3.186 1.00 0.00 H new ATOM 0 HA SER A 38 -2.672 -5.488 -3.982 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.834 -4.338 -4.712 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.196 -5.535 -5.821 1.00 0.00 H new ATOM 0 HG SER A 38 -6.473 -5.795 -5.465 1.00 0.00 H new ATOM 537 N PHE A 39 -4.201 -4.036 -2.280 1.00 0.00 N ATOM 538 CA PHE A 39 -4.606 -3.406 -1.029 1.00 0.00 C ATOM 539 C PHE A 39 -5.645 -2.317 -1.279 1.00 0.00 C ATOM 540 O PHE A 39 -5.370 -1.325 -1.956 1.00 0.00 O ATOM 541 CB PHE A 39 -3.389 -2.812 -0.315 1.00 0.00 C ATOM 542 CG PHE A 39 -2.635 -3.811 0.515 1.00 0.00 C ATOM 543 CD1 PHE A 39 -3.287 -4.564 1.479 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.274 -3.997 0.333 1.00 0.00 C ATOM 545 CE1 PHE A 39 -2.597 -5.484 2.245 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.579 -4.916 1.096 1.00 0.00 C ATOM 547 CZ PHE A 39 -1.240 -5.659 2.054 1.00 0.00 C ATOM 0 H PHE A 39 -4.009 -3.382 -3.038 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.054 -4.171 -0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.715 -2.385 -1.057 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.717 -1.993 0.325 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.347 -4.430 1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.751 -3.418 -0.413 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.118 -6.065 2.992 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.481 -5.053 0.943 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.697 -6.375 2.653 1.00 0.00 H new ATOM 557 N LEU A 40 -6.838 -2.508 -0.728 1.00 0.00 N ATOM 558 CA LEU A 40 -7.919 -1.542 -0.890 1.00 0.00 C ATOM 559 C LEU A 40 -8.106 -0.715 0.377 1.00 0.00 C ATOM 560 O LEU A 40 -8.672 -1.189 1.364 1.00 0.00 O ATOM 561 CB LEU A 40 -9.223 -2.262 -1.240 1.00 0.00 C ATOM 562 CG LEU A 40 -10.323 -1.396 -1.855 1.00 0.00 C ATOM 563 CD1 LEU A 40 -9.892 -0.871 -3.216 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.620 -2.184 -1.972 1.00 0.00 C ATOM 0 H LEU A 40 -7.082 -3.323 -0.165 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.652 -0.868 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.993 -3.070 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.615 -2.723 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.497 -0.544 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.688 -0.257 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.990 -0.270 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.689 -1.710 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.391 -1.552 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.460 -3.056 -2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.939 -2.510 -0.982 1.00 0.00 H new ATOM 576 N LEU A 41 -7.629 0.524 0.344 1.00 0.00 N ATOM 577 CA LEU A 41 -7.746 1.420 1.490 1.00 0.00 C ATOM 578 C LEU A 41 -9.037 2.229 1.420 1.00 0.00 C ATOM 579 O LEU A 41 -9.514 2.563 0.335 1.00 0.00 O ATOM 580 CB LEU A 41 -6.542 2.362 1.550 1.00 0.00 C ATOM 581 CG LEU A 41 -6.465 3.275 2.774 1.00 0.00 C ATOM 582 CD1 LEU A 41 -6.265 2.456 4.039 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.344 4.292 2.611 1.00 0.00 C ATOM 0 H LEU A 41 -7.158 0.932 -0.463 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.770 0.812 2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.633 1.761 1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.549 2.986 0.656 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.408 3.815 2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.213 3.123 4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.101 1.768 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.337 1.889 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.304 4.933 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.393 3.771 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.531 4.901 1.727 1.00 0.00 H new ATOM 595 N ARG A 42 -9.596 2.544 2.584 1.00 0.00 N ATOM 596 CA ARG A 42 -10.831 3.315 2.654 1.00 0.00 C ATOM 597 C ARG A 42 -10.802 4.281 3.835 1.00 0.00 C ATOM 598 O ARG A 42 -10.793 3.863 4.993 1.00 0.00 O ATOM 599 CB ARG A 42 -12.035 2.379 2.777 1.00 0.00 C ATOM 600 CG ARG A 42 -12.604 1.940 1.438 1.00 0.00 C ATOM 601 CD ARG A 42 -13.698 0.898 1.612 1.00 0.00 C ATOM 602 NE ARG A 42 -14.935 1.483 2.121 1.00 0.00 N ATOM 603 CZ ARG A 42 -15.793 2.161 1.366 1.00 0.00 C ATOM 604 NH1 ARG A 42 -15.548 2.337 0.075 1.00 0.00 N ATOM 605 NH2 ARG A 42 -16.898 2.663 1.902 1.00 0.00 N ATOM 0 H ARG A 42 -9.213 2.277 3.491 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.921 3.894 1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.742 1.496 3.345 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.817 2.880 3.348 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.005 2.805 0.911 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.806 1.531 0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.893 0.414 0.655 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.355 0.123 2.297 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.153 1.365 3.110 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.700 1.952 -0.340 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.208 2.858 -0.503 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.090 2.529 2.895 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.556 3.183 1.321 1.00 0.00 H new ATOM 619 N PHE A 43 -10.786 5.575 3.533 1.00 0.00 N ATOM 620 CA PHE A 43 -10.756 6.602 4.569 1.00 0.00 C ATOM 621 C PHE A 43 -12.133 7.235 4.746 1.00 0.00 C ATOM 622 O PHE A 43 -12.752 7.682 3.782 1.00 0.00 O ATOM 623 CB PHE A 43 -9.728 7.679 4.219 1.00 0.00 C ATOM 624 CG PHE A 43 -9.563 7.894 2.741 1.00 0.00 C ATOM 625 CD1 PHE A 43 -8.929 6.945 1.957 1.00 0.00 C ATOM 626 CD2 PHE A 43 -10.043 9.045 2.138 1.00 0.00 C ATOM 627 CE1 PHE A 43 -8.776 7.139 0.597 1.00 0.00 C ATOM 628 CE2 PHE A 43 -9.893 9.245 0.778 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.258 8.291 0.007 1.00 0.00 C ATOM 0 H PHE A 43 -10.793 5.938 2.580 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.470 6.128 5.508 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.026 8.619 4.684 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.765 7.403 4.648 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.550 6.043 2.413 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.540 9.794 2.737 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.280 6.391 -0.003 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.272 10.146 0.319 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.139 8.446 -1.055 1.00 0.00 H new ATOM 639 N GLY A 44 -12.607 7.269 5.989 1.00 0.00 N ATOM 640 CA GLY A 44 -13.907 7.849 6.271 1.00 0.00 C ATOM 641 C GLY A 44 -13.841 8.929 7.333 1.00 0.00 C ATOM 642 O GLY A 44 -12.860 9.026 8.070 1.00 0.00 O ATOM 0 H GLY A 44 -12.114 6.905 6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.321 8.270 5.354 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.589 7.064 6.597 1.00 0.00 H new ATOM 646 N VAL A 45 -14.889 9.744 7.411 1.00 0.00 N ATOM 647 CA VAL A 45 -14.947 10.823 8.390 1.00 0.00 C ATOM 648 C VAL A 45 -15.658 10.374 9.661 1.00 0.00 C ATOM 649 O VAL A 45 -16.879 10.224 9.699 1.00 0.00 O ATOM 650 CB VAL A 45 -15.668 12.059 7.821 1.00 0.00 C ATOM 651 CG1 VAL A 45 -15.692 13.182 8.846 1.00 0.00 C ATOM 652 CG2 VAL A 45 -15.002 12.517 6.532 1.00 0.00 C ATOM 0 H VAL A 45 -15.709 9.677 6.808 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.917 11.090 8.628 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.698 11.785 7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.205 14.047 8.426 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.217 12.847 9.740 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.670 13.458 9.107 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -15.524 13.391 6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.962 12.774 6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -15.042 11.714 5.796 1.00 0.00 H new ATOM 662 N PRO A 46 -14.877 10.154 10.730 1.00 0.00 N ATOM 663 CA PRO A 46 -15.411 9.720 12.024 1.00 0.00 C ATOM 664 C PRO A 46 -16.217 10.815 12.716 1.00 0.00 C ATOM 665 O PRO A 46 -15.663 11.819 13.161 1.00 0.00 O ATOM 666 CB PRO A 46 -14.154 9.390 12.833 1.00 0.00 C ATOM 667 CG PRO A 46 -13.080 10.219 12.220 1.00 0.00 C ATOM 668 CD PRO A 46 -13.414 10.313 10.757 1.00 0.00 C ATOM 0 HA PRO A 46 -16.101 8.882 11.920 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.287 9.632 13.887 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.915 8.328 12.777 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.042 11.208 12.676 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.102 9.762 12.368 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.106 11.270 10.335 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.915 9.535 10.180 1.00 0.00 H new ATOM 676 N SER A 47 -17.528 10.613 12.802 1.00 0.00 N ATOM 677 CA SER A 47 -18.411 11.585 13.436 1.00 0.00 C ATOM 678 C SER A 47 -18.618 11.249 14.910 1.00 0.00 C ATOM 679 O SER A 47 -18.713 10.086 15.301 1.00 0.00 O ATOM 680 CB SER A 47 -19.760 11.626 12.716 1.00 0.00 C ATOM 681 OG SER A 47 -20.590 12.645 13.246 1.00 0.00 O ATOM 0 H SER A 47 -18.002 9.785 12.441 1.00 0.00 H new ATOM 0 HA SER A 47 -17.941 12.566 13.367 1.00 0.00 H new ATOM 0 HB2 SER A 47 -19.602 11.798 11.651 1.00 0.00 H new ATOM 0 HB3 SER A 47 -20.257 10.661 12.813 1.00 0.00 H new ATOM 0 HG SER A 47 -21.445 12.652 12.768 1.00 0.00 H new ATOM 687 N PRO A 48 -18.690 12.293 15.749 1.00 0.00 N ATOM 688 CA PRO A 48 -18.887 12.136 17.193 1.00 0.00 C ATOM 689 C PRO A 48 -20.287 11.639 17.537 1.00 0.00 C ATOM 690 O PRO A 48 -21.193 11.683 16.705 1.00 0.00 O ATOM 691 CB PRO A 48 -18.674 13.552 17.736 1.00 0.00 C ATOM 692 CG PRO A 48 -19.000 14.449 16.593 1.00 0.00 C ATOM 693 CD PRO A 48 -18.584 13.708 15.353 1.00 0.00 C ATOM 0 HA PRO A 48 -18.210 11.395 17.618 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -19.321 13.749 18.591 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -17.647 13.697 18.072 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -20.065 14.681 16.570 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -18.469 15.397 16.677 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -19.235 13.939 14.510 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -17.569 13.966 15.052 1.00 0.00 H new ATOM 701 N SER A 49 -20.456 11.166 18.767 1.00 0.00 N ATOM 702 CA SER A 49 -21.746 10.657 19.219 1.00 0.00 C ATOM 703 C SER A 49 -22.550 11.753 19.912 1.00 0.00 C ATOM 704 O SER A 49 -23.781 11.713 19.942 1.00 0.00 O ATOM 705 CB SER A 49 -21.547 9.476 20.171 1.00 0.00 C ATOM 706 OG SER A 49 -22.679 8.624 20.171 1.00 0.00 O ATOM 0 H SER A 49 -19.717 11.124 19.468 1.00 0.00 H new ATOM 0 HA SER A 49 -22.302 10.320 18.344 1.00 0.00 H new ATOM 0 HB2 SER A 49 -20.663 8.911 19.875 1.00 0.00 H new ATOM 0 HB3 SER A 49 -21.366 9.845 21.180 1.00 0.00 H new ATOM 0 HG SER A 49 -22.526 7.877 20.786 1.00 0.00 H new ATOM 712 N THR A 50 -21.845 12.733 20.469 1.00 0.00 N ATOM 713 CA THR A 50 -22.491 13.840 21.163 1.00 0.00 C ATOM 714 C THR A 50 -23.133 14.808 20.176 1.00 0.00 C ATOM 715 O THR A 50 -24.157 15.425 20.472 1.00 0.00 O ATOM 716 CB THR A 50 -21.491 14.612 22.044 1.00 0.00 C ATOM 717 OG1 THR A 50 -20.761 13.699 22.871 1.00 0.00 O ATOM 718 CG2 THR A 50 -22.210 15.630 22.916 1.00 0.00 C ATOM 0 H THR A 50 -20.826 12.782 20.453 1.00 0.00 H new ATOM 0 HA THR A 50 -23.264 13.406 21.798 1.00 0.00 H new ATOM 0 HB THR A 50 -20.799 15.143 21.390 1.00 0.00 H new ATOM 0 HG1 THR A 50 -20.126 14.197 23.427 1.00 0.00 H new ATOM 0 HG21 THR A 50 -21.483 16.162 23.529 1.00 0.00 H new ATOM 0 HG22 THR A 50 -22.741 16.341 22.283 1.00 0.00 H new ATOM 0 HG23 THR A 50 -22.923 15.117 23.562 1.00 0.00 H new ATOM 726 N LEU A 51 -22.527 14.936 19.001 1.00 0.00 N ATOM 727 CA LEU A 51 -23.041 15.829 17.968 1.00 0.00 C ATOM 728 C LEU A 51 -24.105 15.133 17.126 1.00 0.00 C ATOM 729 O LEU A 51 -23.999 13.942 16.836 1.00 0.00 O ATOM 730 CB LEU A 51 -21.900 16.312 17.071 1.00 0.00 C ATOM 731 CG LEU A 51 -22.074 17.700 16.453 1.00 0.00 C ATOM 732 CD1 LEU A 51 -20.721 18.361 16.237 1.00 0.00 C ATOM 733 CD2 LEU A 51 -22.839 17.607 15.141 1.00 0.00 C ATOM 0 H LEU A 51 -21.679 14.433 18.740 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.498 16.688 18.459 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -20.979 16.309 17.655 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -21.768 15.591 16.264 1.00 0.00 H new ATOM 0 HG LEU A 51 -22.650 18.315 17.144 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -20.864 19.348 15.797 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -20.208 18.462 17.194 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -20.120 17.748 15.566 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -22.954 18.604 14.715 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -22.289 16.975 14.443 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -23.823 17.175 15.323 1.00 0.00 H new ATOM 745 N GLU A 52 -25.130 15.886 16.737 1.00 0.00 N ATOM 746 CA GLU A 52 -26.213 15.340 15.928 1.00 0.00 C ATOM 747 C GLU A 52 -25.780 15.186 14.472 1.00 0.00 C ATOM 748 O GLU A 52 -25.035 16.003 13.931 1.00 0.00 O ATOM 749 CB GLU A 52 -27.447 16.242 16.012 1.00 0.00 C ATOM 750 CG GLU A 52 -28.086 16.271 17.390 1.00 0.00 C ATOM 751 CD GLU A 52 -28.768 17.593 17.689 1.00 0.00 C ATOM 752 OE1 GLU A 52 -29.902 17.798 17.208 1.00 0.00 O ATOM 753 OE2 GLU A 52 -28.166 18.421 18.404 1.00 0.00 O ATOM 0 H GLU A 52 -25.233 16.874 16.969 1.00 0.00 H new ATOM 0 HA GLU A 52 -26.465 14.355 16.321 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -27.165 17.256 15.730 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -28.185 15.902 15.285 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -28.816 15.465 17.465 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -27.323 16.081 18.145 1.00 0.00 H new ATOM 760 N PRO A 53 -26.258 14.114 13.824 1.00 0.00 N ATOM 761 CA PRO A 53 -25.934 13.827 12.423 1.00 0.00 C ATOM 762 C PRO A 53 -26.583 14.819 11.463 1.00 0.00 C ATOM 763 O PRO A 53 -27.681 15.316 11.717 1.00 0.00 O ATOM 764 CB PRO A 53 -26.505 12.423 12.208 1.00 0.00 C ATOM 765 CG PRO A 53 -27.596 12.299 13.214 1.00 0.00 C ATOM 766 CD PRO A 53 -27.152 13.099 14.407 1.00 0.00 C ATOM 0 HA PRO A 53 -24.864 13.902 12.228 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -26.886 12.302 11.194 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -25.742 11.659 12.355 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -28.537 12.679 12.818 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -27.762 11.256 13.483 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -27.997 13.556 14.921 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -26.633 12.478 15.137 1.00 0.00 H new ATOM 774 N HIS A 54 -25.898 15.102 10.360 1.00 0.00 N ATOM 775 CA HIS A 54 -26.409 16.034 9.361 1.00 0.00 C ATOM 776 C HIS A 54 -26.838 15.295 8.097 1.00 0.00 C ATOM 777 O HIS A 54 -26.260 14.276 7.718 1.00 0.00 O ATOM 778 CB HIS A 54 -25.347 17.080 9.018 1.00 0.00 C ATOM 779 CG HIS A 54 -24.996 17.975 10.166 1.00 0.00 C ATOM 780 ND1 HIS A 54 -23.697 18.236 10.547 1.00 0.00 N ATOM 781 CD2 HIS A 54 -25.784 18.674 11.017 1.00 0.00 C ATOM 782 CE1 HIS A 54 -23.700 19.055 11.584 1.00 0.00 C ATOM 783 NE2 HIS A 54 -24.955 19.337 11.888 1.00 0.00 N ATOM 0 H HIS A 54 -24.988 14.700 10.135 1.00 0.00 H new ATOM 0 HA HIS A 54 -27.281 16.536 9.781 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -24.446 16.572 8.675 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -25.704 17.690 8.188 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -26.864 18.704 11.012 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.826 19.430 12.096 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -25.258 19.948 12.646 1.00 0.00 H new ATOM 792 N PRO A 55 -27.877 15.818 7.429 1.00 0.00 N ATOM 793 CA PRO A 55 -28.407 15.223 6.198 1.00 0.00 C ATOM 794 C PRO A 55 -27.448 15.374 5.022 1.00 0.00 C ATOM 795 O PRO A 55 -27.709 14.873 3.928 1.00 0.00 O ATOM 796 CB PRO A 55 -29.692 16.016 5.946 1.00 0.00 C ATOM 797 CG PRO A 55 -29.468 17.325 6.621 1.00 0.00 C ATOM 798 CD PRO A 55 -28.614 17.030 7.823 1.00 0.00 C ATOM 0 HA PRO A 55 -28.565 14.149 6.299 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -29.874 16.147 4.879 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -30.561 15.502 6.357 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -28.972 18.029 5.953 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -30.414 17.779 6.916 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -27.939 17.855 8.048 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -29.219 16.861 8.714 1.00 0.00 H new ATOM 806 N ARG A 56 -26.338 16.067 5.255 1.00 0.00 N ATOM 807 CA ARG A 56 -25.341 16.284 4.213 1.00 0.00 C ATOM 808 C ARG A 56 -24.540 15.011 3.954 1.00 0.00 C ATOM 809 O ARG A 56 -23.905 14.455 4.849 1.00 0.00 O ATOM 810 CB ARG A 56 -24.397 17.421 4.610 1.00 0.00 C ATOM 811 CG ARG A 56 -25.107 18.741 4.864 1.00 0.00 C ATOM 812 CD ARG A 56 -24.349 19.597 5.867 1.00 0.00 C ATOM 813 NE ARG A 56 -24.667 21.015 5.727 1.00 0.00 N ATOM 814 CZ ARG A 56 -24.236 21.951 6.565 1.00 0.00 C ATOM 815 NH1 ARG A 56 -23.474 21.621 7.599 1.00 0.00 N ATOM 816 NH2 ARG A 56 -24.568 23.221 6.371 1.00 0.00 N ATOM 0 H ARG A 56 -26.106 16.487 6.155 1.00 0.00 H new ATOM 0 HA ARG A 56 -25.863 16.557 3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -23.852 17.132 5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -23.659 17.561 3.821 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -25.212 19.285 3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -26.114 18.549 5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -24.590 19.270 6.878 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -23.277 19.451 5.732 1.00 0.00 H new ATOM 0 HE ARG A 56 -25.252 21.303 4.943 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -23.217 20.646 7.753 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -23.145 22.342 8.241 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -25.155 23.479 5.578 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -24.236 23.939 7.015 1.00 0.00 H new ATOM 830 N PRO A 57 -24.571 14.539 2.699 1.00 0.00 N ATOM 831 CA PRO A 57 -23.854 13.327 2.292 1.00 0.00 C ATOM 832 C PRO A 57 -22.342 13.522 2.285 1.00 0.00 C ATOM 833 O PRO A 57 -21.849 14.625 2.041 1.00 0.00 O ATOM 834 CB PRO A 57 -24.366 13.071 0.872 1.00 0.00 C ATOM 835 CG PRO A 57 -24.794 14.410 0.377 1.00 0.00 C ATOM 836 CD PRO A 57 -25.308 15.151 1.581 1.00 0.00 C ATOM 0 HA PRO A 57 -24.031 12.500 2.979 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -23.586 12.646 0.240 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -25.196 12.365 0.872 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -23.960 14.941 -0.082 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -25.569 14.316 -0.384 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -25.112 16.221 1.508 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -26.385 15.032 1.697 1.00 0.00 H new ATOM 844 N LEU A 58 -21.609 12.447 2.555 1.00 0.00 N ATOM 845 CA LEU A 58 -20.152 12.501 2.579 1.00 0.00 C ATOM 846 C LEU A 58 -19.555 11.591 1.510 1.00 0.00 C ATOM 847 O LEU A 58 -19.801 10.384 1.498 1.00 0.00 O ATOM 848 CB LEU A 58 -19.630 12.095 3.959 1.00 0.00 C ATOM 849 CG LEU A 58 -20.310 12.761 5.156 1.00 0.00 C ATOM 850 CD1 LEU A 58 -19.756 12.208 6.460 1.00 0.00 C ATOM 851 CD2 LEU A 58 -20.133 14.271 5.097 1.00 0.00 C ATOM 0 H LEU A 58 -22.000 11.528 2.760 1.00 0.00 H new ATOM 0 HA LEU A 58 -19.848 13.526 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.735 11.015 4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -18.564 12.317 4.002 1.00 0.00 H new ATOM 0 HG LEU A 58 -21.376 12.538 5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -20.252 12.693 7.301 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -19.935 11.134 6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -18.684 12.400 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -20.623 14.729 5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -19.070 14.514 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -20.578 14.654 4.179 1.00 0.00 H new ATOM 863 N LEU A 59 -18.769 12.177 0.614 1.00 0.00 N ATOM 864 CA LEU A 59 -18.134 11.419 -0.459 1.00 0.00 C ATOM 865 C LEU A 59 -16.891 10.695 0.047 1.00 0.00 C ATOM 866 O LEU A 59 -15.994 11.312 0.622 1.00 0.00 O ATOM 867 CB LEU A 59 -17.762 12.349 -1.616 1.00 0.00 C ATOM 868 CG LEU A 59 -17.445 11.669 -2.948 1.00 0.00 C ATOM 869 CD1 LEU A 59 -18.728 11.323 -3.689 1.00 0.00 C ATOM 870 CD2 LEU A 59 -16.557 12.560 -3.804 1.00 0.00 C ATOM 0 H LEU A 59 -18.556 13.174 0.609 1.00 0.00 H new ATOM 0 HA LEU A 59 -18.846 10.674 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -18.584 13.047 -1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -16.896 12.939 -1.317 1.00 0.00 H new ATOM 0 HG LEU A 59 -16.907 10.744 -2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -18.483 10.840 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -19.328 10.647 -3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -19.293 12.235 -3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.342 12.060 -4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -17.069 13.502 -4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.624 12.757 -3.277 1.00 0.00 H new ATOM 882 N GLN A 60 -16.844 9.385 -0.173 1.00 0.00 N ATOM 883 CA GLN A 60 -15.709 8.579 0.260 1.00 0.00 C ATOM 884 C GLN A 60 -14.947 8.024 -0.939 1.00 0.00 C ATOM 885 O GLN A 60 -15.502 7.885 -2.029 1.00 0.00 O ATOM 886 CB GLN A 60 -16.184 7.431 1.154 1.00 0.00 C ATOM 887 CG GLN A 60 -16.252 7.796 2.628 1.00 0.00 C ATOM 888 CD GLN A 60 -17.394 8.742 2.943 1.00 0.00 C ATOM 889 OE1 GLN A 60 -18.445 8.325 3.429 1.00 0.00 O ATOM 890 NE2 GLN A 60 -17.193 10.026 2.667 1.00 0.00 N ATOM 0 H GLN A 60 -17.578 8.860 -0.648 1.00 0.00 H new ATOM 0 HA GLN A 60 -15.036 9.220 0.830 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -17.171 7.108 0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -15.512 6.582 1.029 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -16.365 6.887 3.219 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.311 8.256 2.928 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -16.306 10.328 2.264 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -17.926 10.709 2.858 1.00 0.00 H new ATOM 899 N ARG A 61 -13.673 7.708 -0.729 1.00 0.00 N ATOM 900 CA ARG A 61 -12.835 7.169 -1.793 1.00 0.00 C ATOM 901 C ARG A 61 -11.924 6.066 -1.262 1.00 0.00 C ATOM 902 O ARG A 61 -11.756 5.917 -0.052 1.00 0.00 O ATOM 903 CB ARG A 61 -11.994 8.282 -2.421 1.00 0.00 C ATOM 904 CG ARG A 61 -11.624 8.021 -3.872 1.00 0.00 C ATOM 905 CD ARG A 61 -10.863 9.192 -4.473 1.00 0.00 C ATOM 906 NE ARG A 61 -10.634 9.020 -5.905 1.00 0.00 N ATOM 907 CZ ARG A 61 -9.938 9.875 -6.646 1.00 0.00 C ATOM 908 NH1 ARG A 61 -9.404 10.955 -6.092 1.00 0.00 N ATOM 909 NH2 ARG A 61 -9.773 9.650 -7.943 1.00 0.00 N ATOM 0 H ARG A 61 -13.199 7.816 0.168 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.487 6.742 -2.554 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.544 9.221 -2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.081 8.408 -1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.016 7.119 -3.937 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.529 7.838 -4.452 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.422 10.112 -4.303 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.906 9.302 -3.964 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.030 8.198 -6.361 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.527 11.131 -5.095 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.870 11.610 -6.663 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.181 8.820 -8.372 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.238 10.307 -8.511 1.00 0.00 H new ATOM 923 N GLU A 62 -11.340 5.297 -2.175 1.00 0.00 N ATOM 924 CA GLU A 62 -10.447 4.207 -1.798 1.00 0.00 C ATOM 925 C GLU A 62 -9.223 4.167 -2.708 1.00 0.00 C ATOM 926 O GLU A 62 -9.268 4.628 -3.849 1.00 0.00 O ATOM 927 CB GLU A 62 -11.186 2.869 -1.859 1.00 0.00 C ATOM 928 CG GLU A 62 -11.989 2.675 -3.134 1.00 0.00 C ATOM 929 CD GLU A 62 -13.133 1.695 -2.960 1.00 0.00 C ATOM 930 OE1 GLU A 62 -12.878 0.563 -2.496 1.00 0.00 O ATOM 931 OE2 GLU A 62 -14.282 2.058 -3.286 1.00 0.00 O ATOM 0 H GLU A 62 -11.469 5.408 -3.181 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.112 4.383 -0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.462 2.059 -1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.856 2.794 -1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.386 3.637 -3.459 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.328 2.319 -3.925 1.00 0.00 H new ATOM 938 N LEU A 63 -8.130 3.612 -2.195 1.00 0.00 N ATOM 939 CA LEU A 63 -6.892 3.511 -2.960 1.00 0.00 C ATOM 940 C LEU A 63 -6.638 2.072 -3.396 1.00 0.00 C ATOM 941 O LEU A 63 -7.105 1.128 -2.759 1.00 0.00 O ATOM 942 CB LEU A 63 -5.713 4.020 -2.129 1.00 0.00 C ATOM 943 CG LEU A 63 -4.561 4.648 -2.913 1.00 0.00 C ATOM 944 CD1 LEU A 63 -5.040 5.872 -3.679 1.00 0.00 C ATOM 945 CD2 LEU A 63 -3.417 5.015 -1.979 1.00 0.00 C ATOM 0 H LEU A 63 -8.076 3.225 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.993 4.129 -3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.087 4.757 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.318 3.187 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.195 3.915 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.206 6.305 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.825 5.580 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.433 6.609 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.606 5.461 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.769 5.730 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.055 4.118 -1.477 1.00 0.00 H new ATOM 957 N MET A 64 -5.892 1.912 -4.485 1.00 0.00 N ATOM 958 CA MET A 64 -5.573 0.587 -5.004 1.00 0.00 C ATOM 959 C MET A 64 -4.066 0.414 -5.163 1.00 0.00 C ATOM 960 O MET A 64 -3.444 1.051 -6.013 1.00 0.00 O ATOM 961 CB MET A 64 -6.268 0.361 -6.348 1.00 0.00 C ATOM 962 CG MET A 64 -6.470 -1.106 -6.689 1.00 0.00 C ATOM 963 SD MET A 64 -7.378 -1.997 -5.411 1.00 0.00 S ATOM 964 CE MET A 64 -8.639 -2.806 -6.392 1.00 0.00 C ATOM 0 H MET A 64 -5.498 2.683 -5.024 1.00 0.00 H new ATOM 0 HA MET A 64 -5.933 -0.152 -4.288 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.237 0.859 -6.335 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.679 0.831 -7.136 1.00 0.00 H new ATOM 0 HG2 MET A 64 -7.008 -1.185 -7.634 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.499 -1.578 -6.835 1.00 0.00 H new ATOM 0 HE1 MET A 64 -9.282 -3.398 -5.741 1.00 0.00 H new ATOM 0 HE2 MET A 64 -9.237 -2.054 -6.907 1.00 0.00 H new ATOM 0 HE3 MET A 64 -8.166 -3.459 -7.126 1.00 0.00 H new ATOM 974 N VAL A 65 -3.484 -0.451 -4.339 1.00 0.00 N ATOM 975 CA VAL A 65 -2.049 -0.708 -4.388 1.00 0.00 C ATOM 976 C VAL A 65 -1.753 -2.198 -4.259 1.00 0.00 C ATOM 977 O VAL A 65 -2.341 -2.905 -3.439 1.00 0.00 O ATOM 978 CB VAL A 65 -1.304 0.051 -3.274 1.00 0.00 C ATOM 979 CG1 VAL A 65 0.107 0.403 -3.720 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.074 1.300 -2.875 1.00 0.00 C ATOM 0 H VAL A 65 -3.984 -0.986 -3.629 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.697 -0.353 -5.357 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.232 -0.597 -2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.618 0.939 -2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.654 -0.511 -3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.061 1.034 -4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.534 1.824 -2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.179 1.955 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.062 1.018 -2.511 1.00 0.00 H new ATOM 990 N PRO A 66 -0.819 -2.690 -5.086 1.00 0.00 N ATOM 991 CA PRO A 66 -0.422 -4.101 -5.083 1.00 0.00 C ATOM 992 C PRO A 66 0.351 -4.483 -3.825 1.00 0.00 C ATOM 993 O PRO A 66 1.068 -3.664 -3.253 1.00 0.00 O ATOM 994 CB PRO A 66 0.474 -4.220 -6.318 1.00 0.00 C ATOM 995 CG PRO A 66 1.008 -2.846 -6.533 1.00 0.00 C ATOM 996 CD PRO A 66 -0.078 -1.906 -6.088 1.00 0.00 C ATOM 0 HA PRO A 66 -1.285 -4.767 -5.100 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.279 -4.937 -6.155 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.090 -4.566 -7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.921 -2.688 -5.959 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.259 -2.684 -7.581 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.333 -0.992 -5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.718 -1.609 -6.919 1.00 0.00 H new ATOM 1004 N GLY A 67 0.200 -5.734 -3.400 1.00 0.00 N ATOM 1005 CA GLY A 67 0.890 -6.202 -2.213 1.00 0.00 C ATOM 1006 C GLY A 67 2.341 -5.764 -2.175 1.00 0.00 C ATOM 1007 O GLY A 67 2.853 -5.374 -1.125 1.00 0.00 O ATOM 0 H GLY A 67 -0.388 -6.431 -3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.377 -5.827 -1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.841 -7.290 -2.173 1.00 0.00 H new ATOM 1011 N THR A 68 3.007 -5.829 -3.324 1.00 0.00 N ATOM 1012 CA THR A 68 4.409 -5.439 -3.418 1.00 0.00 C ATOM 1013 C THR A 68 4.611 -4.002 -2.953 1.00 0.00 C ATOM 1014 O THR A 68 5.650 -3.664 -2.385 1.00 0.00 O ATOM 1015 CB THR A 68 4.936 -5.580 -4.858 1.00 0.00 C ATOM 1016 OG1 THR A 68 6.343 -5.319 -4.893 1.00 0.00 O ATOM 1017 CG2 THR A 68 4.214 -4.623 -5.795 1.00 0.00 C ATOM 0 H THR A 68 2.598 -6.148 -4.202 1.00 0.00 H new ATOM 0 HA THR A 68 4.969 -6.111 -2.767 1.00 0.00 H new ATOM 0 HB THR A 68 4.748 -6.601 -5.191 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.670 -5.412 -5.812 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.603 -4.741 -6.806 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.147 -4.844 -5.789 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.374 -3.598 -5.462 1.00 0.00 H new ATOM 1025 N ARG A 69 3.613 -3.159 -3.197 1.00 0.00 N ATOM 1026 CA ARG A 69 3.683 -1.757 -2.804 1.00 0.00 C ATOM 1027 C ARG A 69 2.823 -1.495 -1.571 1.00 0.00 C ATOM 1028 O ARG A 69 1.625 -1.780 -1.565 1.00 0.00 O ATOM 1029 CB ARG A 69 3.229 -0.859 -3.956 1.00 0.00 C ATOM 1030 CG ARG A 69 4.370 -0.372 -4.834 1.00 0.00 C ATOM 1031 CD ARG A 69 3.857 0.429 -6.021 1.00 0.00 C ATOM 1032 NE ARG A 69 4.946 0.955 -6.838 1.00 0.00 N ATOM 1033 CZ ARG A 69 5.607 2.072 -6.552 1.00 0.00 C ATOM 1034 NH1 ARG A 69 5.290 2.775 -5.474 1.00 0.00 N ATOM 1035 NH2 ARG A 69 6.587 2.486 -7.345 1.00 0.00 N ATOM 0 H ARG A 69 2.746 -3.423 -3.665 1.00 0.00 H new ATOM 0 HA ARG A 69 4.720 -1.525 -2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.515 -1.406 -4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.702 0.003 -3.547 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.048 0.244 -4.243 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.946 -1.226 -5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.216 -0.203 -6.635 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.242 1.254 -5.663 1.00 0.00 H new ATOM 0 HE ARG A 69 5.215 0.437 -7.675 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.538 2.459 -4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.799 3.632 -5.256 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.834 1.947 -8.175 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.094 3.343 -7.125 1.00 0.00 H new ATOM 1049 N HIS A 70 3.442 -0.951 -0.528 1.00 0.00 N ATOM 1050 CA HIS A 70 2.733 -0.650 0.710 1.00 0.00 C ATOM 1051 C HIS A 70 2.735 0.851 0.987 1.00 0.00 C ATOM 1052 O HIS A 70 3.359 1.315 1.941 1.00 0.00 O ATOM 1053 CB HIS A 70 3.371 -1.397 1.882 1.00 0.00 C ATOM 1054 CG HIS A 70 3.854 -2.769 1.526 1.00 0.00 C ATOM 1055 ND1 HIS A 70 5.056 -3.003 0.892 1.00 0.00 N ATOM 1056 CD2 HIS A 70 3.290 -3.984 1.719 1.00 0.00 C ATOM 1057 CE1 HIS A 70 5.210 -4.302 0.710 1.00 0.00 C ATOM 1058 NE2 HIS A 70 4.152 -4.920 1.204 1.00 0.00 N ATOM 0 H HIS A 70 4.433 -0.710 -0.516 1.00 0.00 H new ATOM 0 HA HIS A 70 1.700 -0.979 0.597 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.209 -0.813 2.261 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.645 -1.475 2.691 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.722 -2.285 0.608 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.339 -4.181 2.191 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.057 -4.778 0.238 1.00 0.00 H new ATOM 1067 N SER A 71 2.033 1.603 0.146 1.00 0.00 N ATOM 1068 CA SER A 71 1.958 3.052 0.297 1.00 0.00 C ATOM 1069 C SER A 71 0.560 3.561 -0.040 1.00 0.00 C ATOM 1070 O SER A 71 -0.193 2.909 -0.763 1.00 0.00 O ATOM 1071 CB SER A 71 2.992 3.734 -0.600 1.00 0.00 C ATOM 1072 OG SER A 71 2.891 3.272 -1.936 1.00 0.00 O ATOM 0 H SER A 71 1.508 1.234 -0.647 1.00 0.00 H new ATOM 0 HA SER A 71 2.174 3.296 1.337 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.846 4.814 -0.573 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.994 3.538 -0.219 1.00 0.00 H new ATOM 0 HG SER A 71 3.561 3.724 -2.490 1.00 0.00 H new ATOM 1078 N ALA A 72 0.220 4.732 0.489 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.086 5.331 0.243 1.00 0.00 C ATOM 1080 C ALA A 72 -1.060 6.833 0.508 1.00 0.00 C ATOM 1081 O ALA A 72 -0.733 7.273 1.611 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.145 4.659 1.105 1.00 0.00 C ATOM 0 H ALA A 72 0.831 5.285 1.091 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.337 5.178 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.115 5.116 0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.190 3.597 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.889 4.782 2.157 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.406 7.615 -0.509 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.422 9.067 -0.386 1.00 0.00 C ATOM 1090 C VAL A 73 -2.845 9.609 -0.464 1.00 0.00 C ATOM 1091 O VAL A 73 -3.507 9.501 -1.498 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.570 9.733 -1.482 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -0.816 11.234 -1.513 1.00 0.00 C ATOM 1094 CG2 VAL A 73 0.906 9.432 -1.266 1.00 0.00 C ATOM 0 H VAL A 73 -1.679 7.267 -1.428 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.998 9.307 0.589 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.865 9.321 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.205 11.687 -2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.869 11.426 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.551 11.666 -0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.493 9.910 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.217 9.815 -0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.066 8.354 -1.299 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.310 10.194 0.634 1.00 0.00 N ATOM 1105 CA LEU A 74 -4.656 10.755 0.690 1.00 0.00 C ATOM 1106 C LEU A 74 -4.627 12.264 0.470 1.00 0.00 C ATOM 1107 O LEU A 74 -3.720 12.952 0.940 1.00 0.00 O ATOM 1108 CB LEU A 74 -5.306 10.437 2.038 1.00 0.00 C ATOM 1109 CG LEU A 74 -5.741 8.987 2.248 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -4.874 8.045 1.426 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -5.678 8.620 3.724 1.00 0.00 C ATOM 0 H LEU A 74 -2.776 10.292 1.497 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.245 10.302 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.604 10.703 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.179 11.078 2.158 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.773 8.885 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.198 7.017 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.969 8.293 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.833 8.149 1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.991 7.584 3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.656 8.739 4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.341 9.274 4.290 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.625 12.772 -0.246 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.714 14.199 -0.527 1.00 0.00 C ATOM 1125 C ARG A 75 -7.145 14.700 -0.351 1.00 0.00 C ATOM 1126 O ARG A 75 -8.065 13.914 -0.126 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.231 14.492 -1.949 1.00 0.00 C ATOM 1128 CG ARG A 75 -3.721 14.624 -2.065 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.257 14.468 -3.504 1.00 0.00 C ATOM 1130 NE ARG A 75 -3.306 15.731 -4.235 1.00 0.00 N ATOM 1131 CZ ARG A 75 -2.696 15.931 -5.399 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -1.995 14.955 -5.960 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -2.787 17.109 -6.003 1.00 0.00 N ATOM 0 H ARG A 75 -6.383 12.216 -0.642 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.074 14.724 0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.569 13.694 -2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.696 15.414 -2.299 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.410 15.597 -1.685 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.240 13.869 -1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.238 14.081 -3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.883 13.732 -4.009 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.837 16.502 -3.830 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.923 14.048 -5.498 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.528 15.111 -6.853 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.325 17.862 -5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.319 17.262 -6.896 1.00 0.00 H new ATOM 1147 N ASP A 76 -7.323 16.012 -0.455 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.642 16.618 -0.308 1.00 0.00 C ATOM 1149 C ASP A 76 -9.192 16.388 1.095 1.00 0.00 C ATOM 1150 O ASP A 76 -10.400 16.236 1.283 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.607 16.048 -1.348 1.00 0.00 C ATOM 1152 CG ASP A 76 -9.559 16.806 -2.660 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -9.972 17.984 -2.680 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -9.108 16.221 -3.668 1.00 0.00 O ATOM 0 H ASP A 76 -6.572 16.676 -0.640 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.542 17.692 -0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.365 15.001 -1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.622 16.077 -0.952 1.00 0.00 H new ATOM 1159 N LEU A 77 -8.299 16.361 2.079 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.695 16.148 3.466 1.00 0.00 C ATOM 1161 C LEU A 77 -8.958 17.477 4.168 1.00 0.00 C ATOM 1162 O LEU A 77 -8.713 18.545 3.608 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.611 15.370 4.213 1.00 0.00 C ATOM 1164 CG LEU A 77 -7.138 14.075 3.551 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -6.301 13.254 4.520 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -8.327 13.266 3.053 1.00 0.00 C ATOM 0 H LEU A 77 -7.296 16.484 1.941 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.618 15.568 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.748 16.023 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.985 15.130 5.209 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.515 14.334 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.974 12.336 4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.430 13.832 4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.899 13.004 5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.972 12.348 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.976 13.018 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.886 13.852 2.324 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.455 17.402 5.398 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.750 18.599 6.177 1.00 0.00 C ATOM 1180 C ARG A 78 -8.506 19.087 6.915 1.00 0.00 C ATOM 1181 O ARG A 78 -7.467 18.427 6.905 1.00 0.00 O ATOM 1182 CB ARG A 78 -10.872 18.319 7.178 1.00 0.00 C ATOM 1183 CG ARG A 78 -11.557 19.574 7.693 1.00 0.00 C ATOM 1184 CD ARG A 78 -12.942 19.269 8.240 1.00 0.00 C ATOM 1185 NE ARG A 78 -13.947 19.204 7.182 1.00 0.00 N ATOM 1186 CZ ARG A 78 -15.161 18.694 7.352 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -15.520 18.207 8.532 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -16.020 18.670 6.341 1.00 0.00 N ATOM 0 H ARG A 78 -9.662 16.525 5.877 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.074 19.379 5.488 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.616 17.677 6.706 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.463 17.766 8.023 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.948 20.027 8.475 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.636 20.304 6.887 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.919 18.321 8.777 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.224 20.036 8.961 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.703 19.571 6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.863 18.224 9.312 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.453 17.816 8.660 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.748 19.044 5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.952 18.278 6.473 1.00 0.00 H new ATOM 1202 N SER A 79 -8.620 20.248 7.553 1.00 0.00 N ATOM 1203 CA SER A 79 -7.504 20.826 8.292 1.00 0.00 C ATOM 1204 C SER A 79 -7.530 20.381 9.751 1.00 0.00 C ATOM 1205 O SER A 79 -8.586 20.340 10.381 1.00 0.00 O ATOM 1206 CB SER A 79 -7.550 22.354 8.212 1.00 0.00 C ATOM 1207 OG SER A 79 -7.373 22.800 6.879 1.00 0.00 O ATOM 0 H SER A 79 -9.473 20.806 7.573 1.00 0.00 H new ATOM 0 HA SER A 79 -6.578 20.473 7.839 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.505 22.713 8.595 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.772 22.778 8.847 1.00 0.00 H new ATOM 0 HG SER A 79 -7.408 23.779 6.854 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.357 20.049 10.282 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.266 19.611 11.663 1.00 0.00 C ATOM 1215 C GLY A 80 -7.462 18.783 12.089 1.00 0.00 C ATOM 1216 O GLY A 80 -8.151 19.122 13.051 1.00 0.00 O ATOM 0 H GLY A 80 -5.469 20.075 9.781 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.357 19.025 11.796 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.181 20.482 12.312 1.00 0.00 H new ATOM 1220 N THR A 81 -7.712 17.693 11.370 1.00 0.00 N ATOM 1221 CA THR A 81 -8.835 16.816 11.676 1.00 0.00 C ATOM 1222 C THR A 81 -8.395 15.357 11.726 1.00 0.00 C ATOM 1223 O THR A 81 -7.539 14.929 10.950 1.00 0.00 O ATOM 1224 CB THR A 81 -9.964 16.965 10.639 1.00 0.00 C ATOM 1225 OG1 THR A 81 -10.218 18.352 10.388 1.00 0.00 O ATOM 1226 CG2 THR A 81 -11.237 16.290 11.125 1.00 0.00 C ATOM 0 H THR A 81 -7.151 17.397 10.571 1.00 0.00 H new ATOM 0 HA THR A 81 -9.210 17.113 12.655 1.00 0.00 H new ATOM 0 HB THR A 81 -9.646 16.482 9.715 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.397 18.783 10.070 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.020 16.408 10.376 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.047 15.229 11.287 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.557 16.748 12.061 1.00 0.00 H new ATOM 1234 N LEU A 82 -8.985 14.597 12.641 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.655 13.184 12.791 1.00 0.00 C ATOM 1236 C LEU A 82 -9.437 12.333 11.796 1.00 0.00 C ATOM 1237 O LEU A 82 -10.668 12.350 11.782 1.00 0.00 O ATOM 1238 CB LEU A 82 -8.950 12.720 14.219 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.273 11.420 14.655 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -8.481 10.333 13.612 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -6.789 11.648 14.902 1.00 0.00 C ATOM 0 H LEU A 82 -9.695 14.935 13.291 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.591 13.061 12.588 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.650 13.511 14.906 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.028 12.598 14.325 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.730 11.091 15.588 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.992 9.416 13.940 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.548 10.150 13.485 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.052 10.653 12.662 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.324 10.712 15.211 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.318 12.002 13.985 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.661 12.394 15.687 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.714 11.588 10.966 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.340 10.731 9.967 1.00 0.00 C ATOM 1255 C TYR A 83 -9.198 9.260 10.346 1.00 0.00 C ATOM 1256 O TYR A 83 -8.246 8.870 11.022 1.00 0.00 O ATOM 1257 CB TYR A 83 -8.719 10.976 8.592 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.351 12.124 7.838 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -9.054 13.442 8.162 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -10.245 11.890 6.800 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -9.631 14.494 7.476 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -10.825 12.936 6.108 1.00 0.00 C ATOM 1263 CZ TYR A 83 -10.515 14.235 6.450 1.00 0.00 C ATOM 1264 OH TYR A 83 -11.090 15.280 5.763 1.00 0.00 O ATOM 0 H TYR A 83 -7.694 11.561 10.966 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.401 10.978 9.928 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.654 11.175 8.714 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -8.808 10.068 7.996 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.360 13.648 8.964 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.491 10.874 6.530 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.391 15.513 7.742 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.517 12.737 5.303 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.687 14.927 5.071 1.00 0.00 H new ATOM 1274 N SER A 84 -10.153 8.447 9.906 1.00 0.00 N ATOM 1275 CA SER A 84 -10.138 7.019 10.200 1.00 0.00 C ATOM 1276 C SER A 84 -9.811 6.209 8.949 1.00 0.00 C ATOM 1277 O SER A 84 -10.642 6.071 8.050 1.00 0.00 O ATOM 1278 CB SER A 84 -11.489 6.579 10.767 1.00 0.00 C ATOM 1279 OG SER A 84 -11.555 5.169 10.893 1.00 0.00 O ATOM 0 H SER A 84 -10.947 8.753 9.344 1.00 0.00 H new ATOM 0 HA SER A 84 -9.362 6.835 10.943 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.646 7.042 11.741 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.291 6.927 10.116 1.00 0.00 H new ATOM 0 HG SER A 84 -12.428 4.914 11.259 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.596 5.676 8.898 1.00 0.00 N ATOM 1286 CA LEU A 85 -8.157 4.879 7.758 1.00 0.00 C ATOM 1287 C LEU A 85 -8.391 3.393 8.009 1.00 0.00 C ATOM 1288 O LEU A 85 -8.421 2.943 9.155 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.675 5.133 7.473 1.00 0.00 C ATOM 1290 CG LEU A 85 -6.173 6.551 7.746 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.676 6.545 8.014 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.503 7.468 6.576 1.00 0.00 C ATOM 0 H LEU A 85 -7.897 5.781 9.633 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.744 5.178 6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.086 4.439 8.072 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.481 4.895 6.427 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.679 6.930 8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.337 7.563 8.206 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.464 5.922 8.883 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.152 6.146 7.145 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.138 8.473 6.787 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.024 7.091 5.672 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.583 7.497 6.430 1.00 0.00 H new ATOM 1304 N THR A 86 -8.555 2.634 6.930 1.00 0.00 N ATOM 1305 CA THR A 86 -8.785 1.199 7.032 1.00 0.00 C ATOM 1306 C THR A 86 -8.298 0.473 5.784 1.00 0.00 C ATOM 1307 O THR A 86 -8.884 0.604 4.708 1.00 0.00 O ATOM 1308 CB THR A 86 -10.278 0.884 7.246 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.790 1.654 8.339 1.00 0.00 O ATOM 1310 CG2 THR A 86 -10.483 -0.598 7.523 1.00 0.00 C ATOM 0 H THR A 86 -8.533 2.990 5.974 1.00 0.00 H new ATOM 0 HA THR A 86 -8.219 0.849 7.895 1.00 0.00 H new ATOM 0 HB THR A 86 -10.816 1.146 6.335 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.740 1.449 8.467 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.544 -0.797 7.671 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.119 -1.180 6.676 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.932 -0.880 8.421 1.00 0.00 H new ATOM 1318 N LEU A 87 -7.223 -0.293 5.933 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.656 -1.042 4.816 1.00 0.00 C ATOM 1320 C LEU A 87 -7.233 -2.453 4.758 1.00 0.00 C ATOM 1321 O LEU A 87 -7.615 -3.020 5.781 1.00 0.00 O ATOM 1322 CB LEU A 87 -5.133 -1.105 4.939 1.00 0.00 C ATOM 1323 CG LEU A 87 -4.368 -1.418 3.653 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -4.465 -0.254 2.678 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.912 -1.736 3.962 1.00 0.00 C ATOM 0 H LEU A 87 -6.726 -0.412 6.816 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.918 -0.524 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.780 -0.149 5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.880 -1.861 5.682 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.820 -2.294 3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.915 -0.494 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.511 -0.072 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.039 0.639 3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.383 -1.956 3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.448 -0.879 4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.861 -2.601 4.623 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.290 -3.014 3.555 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.820 -4.358 3.364 1.00 0.00 C ATOM 1339 C TYR A 88 -6.878 -5.198 2.505 1.00 0.00 C ATOM 1340 O TYR A 88 -6.695 -4.928 1.319 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.202 -4.297 2.713 1.00 0.00 C ATOM 1342 CG TYR A 88 -10.268 -3.707 3.609 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.762 -4.419 4.695 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.780 -2.438 3.370 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.736 -3.884 5.516 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.753 -1.895 4.186 1.00 0.00 C ATOM 1347 CZ TYR A 88 -12.228 -2.622 5.258 1.00 0.00 C ATOM 1348 OH TYR A 88 -13.197 -2.086 6.074 1.00 0.00 O ATOM 0 H TYR A 88 -6.976 -2.559 2.698 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.908 -4.829 4.343 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.138 -3.705 1.800 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.501 -5.303 2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.378 -5.407 4.901 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.411 -1.866 2.532 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -12.110 -4.451 6.355 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -12.140 -0.907 3.986 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.434 -1.190 5.756 1.00 0.00 H new ATOM 1358 N GLY A 89 -6.283 -6.218 3.116 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.368 -7.083 2.394 1.00 0.00 C ATOM 1360 C GLY A 89 -6.087 -8.048 1.472 1.00 0.00 C ATOM 1361 O GLY A 89 -6.401 -9.173 1.863 1.00 0.00 O ATOM 0 H GLY A 89 -6.418 -6.461 4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.680 -6.472 1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.767 -7.647 3.107 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.350 -7.609 0.247 1.00 0.00 N ATOM 1366 CA LEU A 90 -7.039 -8.441 -0.733 1.00 0.00 C ATOM 1367 C LEU A 90 -6.152 -9.598 -1.184 1.00 0.00 C ATOM 1368 O LEU A 90 -5.208 -9.406 -1.950 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.456 -7.602 -1.942 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.822 -6.921 -1.847 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -9.920 -7.953 -1.646 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.832 -5.901 -0.717 1.00 0.00 C ATOM 0 H LEU A 90 -6.097 -6.681 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.931 -8.853 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.700 -6.834 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.453 -8.244 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.012 -6.397 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.885 -7.450 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.928 -8.645 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.736 -8.505 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.812 -5.426 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.620 -6.402 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.071 -5.143 -0.904 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.465 -10.798 -0.706 1.00 0.00 N ATOM 1385 CA ARG A 91 -5.697 -11.985 -1.061 1.00 0.00 C ATOM 1386 C ARG A 91 -6.178 -12.567 -2.387 1.00 0.00 C ATOM 1387 O ARG A 91 -5.697 -13.609 -2.830 1.00 0.00 O ATOM 1388 CB ARG A 91 -5.810 -13.040 0.042 1.00 0.00 C ATOM 1389 CG ARG A 91 -4.539 -13.849 0.243 1.00 0.00 C ATOM 1390 CD ARG A 91 -4.627 -15.203 -0.443 1.00 0.00 C ATOM 1391 NE ARG A 91 -3.308 -15.739 -0.767 1.00 0.00 N ATOM 1392 CZ ARG A 91 -2.605 -15.367 -1.831 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -3.092 -14.462 -2.669 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -1.411 -15.901 -2.058 1.00 0.00 N ATOM 0 H ARG A 91 -7.245 -10.974 -0.072 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.653 -11.693 -1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -6.069 -12.547 0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.628 -13.719 -0.198 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.687 -13.295 -0.151 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.361 -13.991 1.309 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.154 -15.904 0.204 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.215 -15.109 -1.356 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.904 -16.437 -0.142 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.009 -14.049 -2.498 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.550 -14.179 -3.485 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.033 -16.597 -1.415 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.871 -15.615 -2.875 1.00 0.00 H new ATOM 1408 N GLY A 92 -7.131 -11.886 -3.015 1.00 0.00 N ATOM 1409 CA GLY A 92 -7.662 -12.351 -4.284 1.00 0.00 C ATOM 1410 C GLY A 92 -9.136 -12.039 -4.445 1.00 0.00 C ATOM 1411 O GLY A 92 -9.523 -10.915 -4.766 1.00 0.00 O ATOM 0 H GLY A 92 -7.545 -11.021 -2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.105 -11.889 -5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.511 -13.427 -4.365 1.00 0.00 H new ATOM 1415 N PRO A 93 -9.987 -13.051 -4.220 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.441 -12.904 -4.337 1.00 0.00 C ATOM 1417 C PRO A 93 -12.027 -12.036 -3.229 1.00 0.00 C ATOM 1418 O PRO A 93 -12.780 -11.098 -3.494 1.00 0.00 O ATOM 1419 CB PRO A 93 -11.954 -14.341 -4.218 1.00 0.00 C ATOM 1420 CG PRO A 93 -10.900 -15.056 -3.445 1.00 0.00 C ATOM 1421 CD PRO A 93 -9.596 -14.417 -3.834 1.00 0.00 C ATOM 0 HA PRO A 93 -11.727 -12.410 -5.266 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.915 -14.377 -3.705 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.100 -14.792 -5.200 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.074 -14.966 -2.373 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.898 -16.120 -3.680 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.888 -14.413 -3.006 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.119 -14.947 -4.659 1.00 0.00 H new ATOM 1429 N HIS A 94 -11.677 -12.354 -1.987 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.168 -11.601 -0.838 1.00 0.00 C ATOM 1431 C HIS A 94 -11.010 -11.115 0.028 1.00 0.00 C ATOM 1432 O HIS A 94 -9.910 -11.666 -0.020 1.00 0.00 O ATOM 1433 CB HIS A 94 -13.116 -12.464 -0.004 1.00 0.00 C ATOM 1434 CG HIS A 94 -12.417 -13.305 1.019 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -12.928 -13.536 2.279 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -11.241 -13.972 0.963 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -12.095 -14.308 2.954 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -11.064 -14.588 2.178 1.00 0.00 N ATOM 0 H HIS A 94 -11.056 -13.127 -1.750 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.711 -10.732 -1.209 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.835 -11.817 0.499 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -13.683 -13.114 -0.670 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.567 -14.013 0.120 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.234 -14.652 3.968 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -10.266 -15.167 2.438 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.264 -10.078 0.819 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.244 -9.516 1.697 1.00 0.00 C ATOM 1449 C LYS A 95 -9.793 -10.541 2.733 1.00 0.00 C ATOM 1450 O LYS A 95 -10.616 -11.212 3.354 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.778 -8.266 2.399 1.00 0.00 C ATOM 1452 CG LYS A 95 -11.414 -7.262 1.454 1.00 0.00 C ATOM 1453 CD LYS A 95 -12.484 -6.439 2.152 1.00 0.00 C ATOM 1454 CE LYS A 95 -13.170 -5.483 1.187 1.00 0.00 C ATOM 1455 NZ LYS A 95 -14.286 -6.141 0.453 1.00 0.00 N ATOM 0 H LYS A 95 -12.168 -9.609 0.870 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.385 -9.242 1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.513 -8.565 3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.960 -7.782 2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.646 -6.599 1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.853 -7.787 0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.225 -7.104 2.595 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.035 -5.873 2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.554 -4.625 1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.440 -5.102 0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.727 -5.457 -0.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.916 -6.945 -0.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.995 -6.482 1.133 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.482 -10.655 2.914 1.00 0.00 N ATOM 1470 CA ALA A 96 -7.923 -11.595 3.877 1.00 0.00 C ATOM 1471 C ALA A 96 -7.781 -10.952 5.253 1.00 0.00 C ATOM 1472 O ALA A 96 -8.235 -11.504 6.256 1.00 0.00 O ATOM 1473 CB ALA A 96 -6.575 -12.110 3.392 1.00 0.00 C ATOM 0 H ALA A 96 -7.787 -10.108 2.406 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.610 -12.436 3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.170 -12.811 4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.702 -12.615 2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.887 -11.273 3.272 1.00 0.00 H new ATOM 1479 N ASP A 97 -7.148 -9.785 5.293 1.00 0.00 N ATOM 1480 CA ASP A 97 -6.947 -9.067 6.546 1.00 0.00 C ATOM 1481 C ASP A 97 -7.272 -7.586 6.382 1.00 0.00 C ATOM 1482 O ASP A 97 -7.569 -7.124 5.281 1.00 0.00 O ATOM 1483 CB ASP A 97 -5.506 -9.235 7.030 1.00 0.00 C ATOM 1484 CG ASP A 97 -5.328 -10.460 7.906 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -5.752 -10.416 9.079 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -4.763 -11.462 7.418 1.00 0.00 O ATOM 0 H ASP A 97 -6.765 -9.316 4.472 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.623 -9.489 7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.843 -9.309 6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.207 -8.347 7.587 1.00 0.00 H new ATOM 1491 N SER A 98 -7.215 -6.847 7.486 1.00 0.00 N ATOM 1492 CA SER A 98 -7.508 -5.418 7.465 1.00 0.00 C ATOM 1493 C SER A 98 -6.879 -4.717 8.665 1.00 0.00 C ATOM 1494 O SER A 98 -6.917 -5.227 9.785 1.00 0.00 O ATOM 1495 CB SER A 98 -9.020 -5.187 7.460 1.00 0.00 C ATOM 1496 OG SER A 98 -9.606 -5.616 8.677 1.00 0.00 O ATOM 0 H SER A 98 -6.969 -7.214 8.405 1.00 0.00 H new ATOM 0 HA SER A 98 -7.080 -4.997 6.555 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.229 -4.128 7.306 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.470 -5.726 6.626 1.00 0.00 H new ATOM 0 HG SER A 98 -10.572 -5.456 8.649 1.00 0.00 H new ATOM 1502 N ILE A 99 -6.300 -3.546 8.421 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.663 -2.774 9.481 1.00 0.00 C ATOM 1504 C ILE A 99 -6.319 -1.406 9.635 1.00 0.00 C ATOM 1505 O ILE A 99 -6.895 -0.873 8.686 1.00 0.00 O ATOM 1506 CB ILE A 99 -4.159 -2.583 9.212 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.442 -2.146 10.491 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -3.945 -1.563 8.104 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -1.973 -2.507 10.513 1.00 0.00 C ATOM 0 H ILE A 99 -6.259 -3.111 7.499 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.789 -3.340 10.404 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.738 -3.535 8.889 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.544 -1.067 10.605 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.934 -2.605 11.349 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.877 -1.439 7.925 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.428 -1.911 7.191 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.377 -0.607 8.401 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.529 -2.167 11.449 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.863 -3.588 10.431 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.468 -2.026 9.676 1.00 0.00 H new ATOM 1521 N GLN A 100 -6.226 -0.842 10.835 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.810 0.465 11.111 1.00 0.00 C ATOM 1523 C GLN A 100 -5.731 1.472 11.494 1.00 0.00 C ATOM 1524 O GLN A 100 -5.031 1.299 12.491 1.00 0.00 O ATOM 1525 CB GLN A 100 -7.845 0.358 12.232 1.00 0.00 C ATOM 1526 CG GLN A 100 -9.248 0.045 11.737 1.00 0.00 C ATOM 1527 CD GLN A 100 -10.287 0.128 12.837 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -10.025 0.661 13.916 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -11.476 -0.400 12.570 1.00 0.00 N ATOM 0 H GLN A 100 -5.752 -1.269 11.631 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.303 0.814 10.204 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.533 -0.419 12.930 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.865 1.296 12.787 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.512 0.741 10.940 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.262 -0.955 11.304 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.650 -0.832 11.663 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.215 -0.374 13.272 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.602 2.527 10.695 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.606 3.547 10.967 1.00 0.00 C ATOM 1540 C GLY A 101 -5.222 4.910 11.209 1.00 0.00 C ATOM 1541 O GLY A 101 -6.056 5.371 10.429 1.00 0.00 O ATOM 0 H GLY A 101 -6.170 2.693 9.864 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.022 3.256 11.840 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.915 3.608 10.127 1.00 0.00 H new ATOM 1545 N THR A 102 -4.814 5.558 12.296 1.00 0.00 N ATOM 1546 CA THR A 102 -5.334 6.875 12.641 1.00 0.00 C ATOM 1547 C THR A 102 -4.261 7.947 12.487 1.00 0.00 C ATOM 1548 O THR A 102 -3.092 7.717 12.794 1.00 0.00 O ATOM 1549 CB THR A 102 -5.872 6.906 14.084 1.00 0.00 C ATOM 1550 OG1 THR A 102 -5.033 6.119 14.936 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.298 6.380 14.141 1.00 0.00 C ATOM 0 H THR A 102 -4.125 5.192 12.953 1.00 0.00 H new ATOM 0 HA THR A 102 -6.152 7.083 11.952 1.00 0.00 H new ATOM 0 HB THR A 102 -5.870 7.940 14.428 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.381 6.145 15.852 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.657 6.411 15.170 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.940 6.999 13.514 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.321 5.352 13.780 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.666 9.120 12.011 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.740 10.229 11.820 1.00 0.00 C ATOM 1561 C ALA A 103 -4.473 11.565 11.834 1.00 0.00 C ATOM 1562 O ALA A 103 -5.659 11.637 11.511 1.00 0.00 O ATOM 1563 CB ALA A 103 -2.974 10.057 10.517 1.00 0.00 C ATOM 0 H ALA A 103 -5.630 9.327 11.750 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.031 10.226 12.648 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.286 10.892 10.387 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.411 9.124 10.546 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.676 10.031 9.683 1.00 0.00 H new ATOM 1569 N ARG A 104 -3.760 12.622 12.209 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.344 13.957 12.266 1.00 0.00 C ATOM 1571 C ARG A 104 -3.621 14.908 11.317 1.00 0.00 C ATOM 1572 O ARG A 104 -2.430 15.177 11.479 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.286 14.502 13.694 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.380 15.509 14.007 1.00 0.00 C ATOM 1575 CD ARG A 104 -5.724 15.515 15.489 1.00 0.00 C ATOM 1576 NE ARG A 104 -6.319 16.782 15.907 1.00 0.00 N ATOM 1577 CZ ARG A 104 -6.760 17.015 17.138 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -6.675 16.073 18.066 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -7.289 18.194 17.442 1.00 0.00 N ATOM 0 H ARG A 104 -2.777 12.580 12.478 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.386 13.884 11.955 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.359 13.670 14.394 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.315 14.971 13.856 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.057 16.505 13.703 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.271 15.272 13.426 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.416 14.701 15.704 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -4.822 15.328 16.071 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.400 17.528 15.216 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -6.270 15.166 17.836 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.015 16.255 19.010 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -7.357 18.921 16.730 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.628 18.373 18.387 1.00 0.00 H new ATOM 1593 N THR A 105 -4.348 15.415 10.326 1.00 0.00 N ATOM 1594 CA THR A 105 -3.776 16.334 9.351 1.00 0.00 C ATOM 1595 C THR A 105 -3.253 17.597 10.026 1.00 0.00 C ATOM 1596 O THR A 105 -3.414 17.779 11.234 1.00 0.00 O ATOM 1597 CB THR A 105 -4.809 16.729 8.279 1.00 0.00 C ATOM 1598 OG1 THR A 105 -6.099 16.895 8.879 1.00 0.00 O ATOM 1599 CG2 THR A 105 -4.885 15.675 7.185 1.00 0.00 C ATOM 0 H THR A 105 -5.335 15.204 10.178 1.00 0.00 H new ATOM 0 HA THR A 105 -2.948 15.812 8.873 1.00 0.00 H new ATOM 0 HB THR A 105 -4.493 17.671 7.832 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.672 17.419 8.282 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.621 15.976 6.440 1.00 0.00 H new ATOM 0 HG22 THR A 105 -3.909 15.572 6.710 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.179 14.720 7.620 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.627 18.466 9.241 1.00 0.00 N ATOM 1608 CA LEU A 106 -2.080 19.713 9.763 1.00 0.00 C ATOM 1609 C LEU A 106 -3.019 20.881 9.477 1.00 0.00 C ATOM 1610 O LEU A 106 -3.745 20.878 8.483 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.706 19.986 9.150 1.00 0.00 C ATOM 1612 CG LEU A 106 0.457 19.172 9.720 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.759 19.545 9.028 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.570 19.383 11.223 1.00 0.00 C ATOM 0 H LEU A 106 -2.485 18.330 8.240 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.975 19.611 10.843 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.765 19.797 8.078 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.478 21.045 9.275 1.00 0.00 H new ATOM 0 HG LEU A 106 0.261 18.116 9.536 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.575 18.956 9.446 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.675 19.342 7.960 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.961 20.605 9.180 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.403 18.796 11.611 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.743 20.439 11.430 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.354 19.065 11.706 1.00 0.00 H new ATOM 1626 N SER A 107 -2.996 21.880 10.353 1.00 0.00 N ATOM 1627 CA SER A 107 -3.846 23.055 10.195 1.00 0.00 C ATOM 1628 C SER A 107 -3.257 24.017 9.168 1.00 0.00 C ATOM 1629 O SER A 107 -3.982 24.614 8.373 1.00 0.00 O ATOM 1630 CB SER A 107 -4.021 23.767 11.537 1.00 0.00 C ATOM 1631 OG SER A 107 -4.650 25.026 11.368 1.00 0.00 O ATOM 0 H SER A 107 -2.398 21.900 11.179 1.00 0.00 H new ATOM 0 HA SER A 107 -4.821 22.723 9.838 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.616 23.146 12.207 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.048 23.903 12.010 1.00 0.00 H new ATOM 0 HG SER A 107 -4.752 25.461 12.240 1.00 0.00 H new ATOM 1637 N GLY A 108 -1.936 24.164 9.193 1.00 0.00 N ATOM 1638 CA GLY A 108 -1.270 25.055 8.261 1.00 0.00 C ATOM 1639 C GLY A 108 -0.565 26.202 8.957 1.00 0.00 C ATOM 1640 O GLY A 108 -0.979 26.657 10.024 1.00 0.00 O ATOM 0 H GLY A 108 -1.315 23.682 9.842 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.545 24.488 7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.002 25.455 7.559 1.00 0.00 H new ATOM 1644 N PRO A 109 0.528 26.686 8.349 1.00 0.00 N ATOM 1645 CA PRO A 109 1.316 27.792 8.901 1.00 0.00 C ATOM 1646 C PRO A 109 0.571 29.122 8.839 1.00 0.00 C ATOM 1647 O PRO A 109 0.373 29.683 7.761 1.00 0.00 O ATOM 1648 CB PRO A 109 2.553 27.829 8.002 1.00 0.00 C ATOM 1649 CG PRO A 109 2.104 27.230 6.714 1.00 0.00 C ATOM 1650 CD PRO A 109 1.078 26.192 7.076 1.00 0.00 C ATOM 0 HA PRO A 109 1.544 27.643 9.956 1.00 0.00 H new ATOM 0 HB2 PRO A 109 2.909 28.849 7.861 1.00 0.00 H new ATOM 0 HB3 PRO A 109 3.376 27.261 8.437 1.00 0.00 H new ATOM 0 HG2 PRO A 109 1.677 27.989 6.058 1.00 0.00 H new ATOM 0 HG3 PRO A 109 2.941 26.781 6.179 1.00 0.00 H new ATOM 0 HD2 PRO A 109 0.306 26.106 6.311 1.00 0.00 H new ATOM 0 HD3 PRO A 109 1.527 25.205 7.188 1.00 0.00 H new ATOM 1658 N SER A 110 0.162 29.621 10.001 1.00 0.00 N ATOM 1659 CA SER A 110 -0.563 30.884 10.077 1.00 0.00 C ATOM 1660 C SER A 110 -1.750 30.887 9.119 1.00 0.00 C ATOM 1661 O SER A 110 -1.979 31.860 8.400 1.00 0.00 O ATOM 1662 CB SER A 110 0.370 32.053 9.755 1.00 0.00 C ATOM 1663 OG SER A 110 1.029 32.515 10.921 1.00 0.00 O ATOM 0 H SER A 110 0.320 29.170 10.902 1.00 0.00 H new ATOM 0 HA SER A 110 -0.938 30.998 11.094 1.00 0.00 H new ATOM 0 HB2 SER A 110 1.108 31.741 9.016 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.202 32.867 9.310 1.00 0.00 H new ATOM 0 HG SER A 110 1.621 33.261 10.689 1.00 0.00 H new ATOM 1669 N SER A 111 -2.503 29.791 9.115 1.00 0.00 N ATOM 1670 CA SER A 111 -3.665 29.665 8.243 1.00 0.00 C ATOM 1671 C SER A 111 -4.686 30.759 8.537 1.00 0.00 C ATOM 1672 O SER A 111 -4.924 31.108 9.693 1.00 0.00 O ATOM 1673 CB SER A 111 -4.311 28.289 8.416 1.00 0.00 C ATOM 1674 OG SER A 111 -5.036 28.215 9.631 1.00 0.00 O ATOM 0 H SER A 111 -2.329 28.978 9.706 1.00 0.00 H new ATOM 0 HA SER A 111 -3.329 29.774 7.212 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.979 28.089 7.578 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.541 27.518 8.401 1.00 0.00 H new ATOM 0 HG SER A 111 -5.441 27.327 9.717 1.00 0.00 H new ATOM 1680 N GLY A 112 -5.288 31.298 7.481 1.00 0.00 N ATOM 1681 CA GLY A 112 -6.276 32.348 7.645 1.00 0.00 C ATOM 1682 C GLY A 112 -7.446 31.913 8.506 1.00 0.00 C ATOM 1683 O GLY A 112 -7.943 32.685 9.326 1.00 0.00 O ATOM 0 H GLY A 112 -5.109 31.026 6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -5.803 33.221 8.094 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.643 32.653 6.665 1.00 0.00 H new TER 1687 GLY A 112