USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 41 THR OG1 : rot 148:sc= -0.813! USER MOD Set 1.2: A 50 LYS NZ :NH3+ 143:sc= 0.811 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -165:sc= -0.0499 (180deg=-0.277) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= -0.551 (180deg=-0.962) USER MOD Single : A -1 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-0.2) USER MOD Single : A -2 SER OG : rot 15:sc= 0.447 USER MOD Single : A -3 GLY N :NH3+ -179:sc= 0 (180deg=-0.000157) USER MOD Single : A 12 GLN : amide:sc= -1.03 K(o=-1,f=-2.9!) USER MOD Single : A 25 ASN : amide:sc= -10.1! C(o=-10!,f=-20!) USER MOD Single : A 26 SER OG : rot 2:sc= 0.145 USER MOD Single : A 31 MET CE :methyl -145:sc= -4.15! (180deg=-5.11!) USER MOD Single : A 36 ASN : amide:sc= -14.3! C(o=-14!,f=-15!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 160:sc= -2.01 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -140:sc= -2.29 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0951 X(o=-0.095,f=-0.095) USER MOD Single : A 59 THR OG1 : rot -0:sc= 1.13 USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= -0.0398 (180deg=-0.251) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 116:sc= 0.79 USER MOD Single : A 77 ASN : amide:sc= -2.96 K(o=-3,f=-1.4) USER MOD Single : A 78 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.192) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -25.650 10.718 0.141 1.00 0.00 N ATOM 2 CA GLY A -3 -25.403 9.281 0.438 1.00 0.00 C ATOM 3 C GLY A -3 -23.982 8.858 0.119 1.00 0.00 C ATOM 4 O GLY A -3 -23.344 8.159 0.907 1.00 0.00 O ATOM 0 H1 GLY A -3 -26.630 10.961 0.392 1.00 0.00 H new ATOM 0 H2 GLY A -3 -24.995 11.305 0.696 1.00 0.00 H new ATOM 0 H3 GLY A -3 -25.499 10.894 -0.873 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -25.607 9.091 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -26.098 8.670 -0.137 1.00 0.00 H new ATOM 10 N SER A -2 -23.490 9.281 -1.042 1.00 0.00 N ATOM 11 CA SER A -2 -22.135 8.947 -1.475 1.00 0.00 C ATOM 12 C SER A -2 -21.890 7.441 -1.404 1.00 0.00 C ATOM 13 O SER A -2 -20.816 6.995 -0.999 1.00 0.00 O ATOM 14 CB SER A -2 -21.102 9.688 -0.621 1.00 0.00 C ATOM 15 OG SER A -2 -21.209 9.326 0.744 1.00 0.00 O ATOM 0 H SER A -2 -24.011 9.858 -1.703 1.00 0.00 H new ATOM 0 HA SER A -2 -22.028 9.262 -2.513 1.00 0.00 H new ATOM 0 HB2 SER A -2 -20.099 9.462 -0.982 1.00 0.00 H new ATOM 0 HB3 SER A -2 -21.244 10.764 -0.727 1.00 0.00 H new ATOM 0 HG SER A -2 -21.744 8.509 0.825 1.00 0.00 H new ATOM 21 N HIS A -1 -22.892 6.666 -1.802 1.00 0.00 N ATOM 22 CA HIS A -1 -22.787 5.211 -1.786 1.00 0.00 C ATOM 23 C HIS A -1 -21.765 4.714 -2.809 1.00 0.00 C ATOM 24 O HIS A -1 -21.342 3.558 -2.763 1.00 0.00 O ATOM 25 CB HIS A -1 -24.153 4.570 -2.054 1.00 0.00 C ATOM 26 CG HIS A -1 -24.799 5.018 -3.329 1.00 0.00 C ATOM 27 ND1 HIS A -1 -25.991 4.498 -3.788 1.00 0.00 N ATOM 28 CD2 HIS A -1 -24.422 5.947 -4.239 1.00 0.00 C ATOM 29 CE1 HIS A -1 -26.317 5.084 -4.927 1.00 0.00 C ATOM 30 NE2 HIS A -1 -25.382 5.968 -5.221 1.00 0.00 N ATOM 0 H HIS A -1 -23.787 7.020 -2.140 1.00 0.00 H new ATOM 0 HA HIS A -1 -22.445 4.916 -0.794 1.00 0.00 H new ATOM 0 HB2 HIS A -1 -24.035 3.487 -2.080 1.00 0.00 H new ATOM 0 HB3 HIS A -1 -24.819 4.798 -1.222 1.00 0.00 H new ATOM 0 HD2 HIS A -1 -23.532 6.558 -4.200 1.00 0.00 H new ATOM 0 HE1 HIS A -1 -27.198 4.875 -5.516 1.00 0.00 H new ATOM 0 HE2 HIS A -1 -25.374 6.570 -6.045 1.00 0.00 H new ATOM 39 N MET A 1 -21.372 5.588 -3.732 1.00 0.00 N ATOM 40 CA MET A 1 -20.404 5.230 -4.763 1.00 0.00 C ATOM 41 C MET A 1 -19.095 4.747 -4.146 1.00 0.00 C ATOM 42 O MET A 1 -18.587 5.342 -3.195 1.00 0.00 O ATOM 43 CB MET A 1 -20.136 6.428 -5.676 1.00 0.00 C ATOM 44 CG MET A 1 -21.377 6.943 -6.385 1.00 0.00 C ATOM 45 SD MET A 1 -21.032 8.359 -7.446 1.00 0.00 S ATOM 46 CE MET A 1 -22.665 8.702 -8.098 1.00 0.00 C ATOM 0 H MET A 1 -21.709 6.549 -3.786 1.00 0.00 H new ATOM 0 HA MET A 1 -20.827 4.416 -5.351 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.705 7.235 -5.084 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.392 6.147 -6.422 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.808 6.141 -6.984 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.125 7.223 -5.643 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.615 9.556 -8.774 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.031 7.830 -8.641 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.344 8.929 -7.276 1.00 0.00 H new ATOM 56 N LYS A 2 -18.553 3.666 -4.698 1.00 0.00 N ATOM 57 CA LYS A 2 -17.300 3.101 -4.211 1.00 0.00 C ATOM 58 C LYS A 2 -16.273 3.025 -5.336 1.00 0.00 C ATOM 59 O LYS A 2 -16.576 2.557 -6.434 1.00 0.00 O ATOM 60 CB LYS A 2 -17.538 1.708 -3.623 1.00 0.00 C ATOM 61 CG LYS A 2 -16.272 1.032 -3.120 1.00 0.00 C ATOM 62 CD LYS A 2 -15.598 1.849 -2.030 1.00 0.00 C ATOM 63 CE LYS A 2 -14.334 1.171 -1.526 1.00 0.00 C ATOM 64 NZ LYS A 2 -14.616 -0.176 -0.954 1.00 0.00 N ATOM 0 H LYS A 2 -18.963 3.163 -5.485 1.00 0.00 H new ATOM 0 HA LYS A 2 -16.911 3.753 -3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -18.248 1.787 -2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -17.999 1.077 -4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.516 0.042 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.580 0.890 -3.950 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.352 2.839 -2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.291 1.992 -1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.622 1.075 -2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.864 1.797 -0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.796 -0.496 -0.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.452 -0.123 -0.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.797 -0.850 -1.725 1.00 0.00 H new ATOM 78 N MET A 3 -15.060 3.491 -5.059 1.00 0.00 N ATOM 79 CA MET A 3 -13.994 3.478 -6.054 1.00 0.00 C ATOM 80 C MET A 3 -13.630 2.051 -6.448 1.00 0.00 C ATOM 81 O MET A 3 -13.301 1.224 -5.598 1.00 0.00 O ATOM 82 CB MET A 3 -12.758 4.203 -5.518 1.00 0.00 C ATOM 83 CG MET A 3 -13.008 5.664 -5.181 1.00 0.00 C ATOM 84 SD MET A 3 -11.534 6.495 -4.561 1.00 0.00 S ATOM 85 CE MET A 3 -12.167 8.149 -4.288 1.00 0.00 C ATOM 0 H MET A 3 -14.791 3.882 -4.156 1.00 0.00 H new ATOM 0 HA MET A 3 -14.356 3.997 -6.941 1.00 0.00 H new ATOM 0 HB2 MET A 3 -12.404 3.688 -4.625 1.00 0.00 H new ATOM 0 HB3 MET A 3 -11.961 4.141 -6.259 1.00 0.00 H new ATOM 0 HG2 MET A 3 -13.365 6.182 -6.071 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.799 5.730 -4.434 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.370 8.785 -3.903 1.00 0.00 H new ATOM 0 HE2 MET A 3 -12.534 8.558 -5.229 1.00 0.00 H new ATOM 0 HE3 MET A 3 -12.982 8.112 -3.566 1.00 0.00 H new ATOM 95 N GLY A 4 -13.684 1.774 -7.747 1.00 0.00 N ATOM 96 CA GLY A 4 -13.351 0.452 -8.242 1.00 0.00 C ATOM 97 C GLY A 4 -11.857 0.194 -8.238 1.00 0.00 C ATOM 98 O GLY A 4 -11.412 -0.930 -8.011 1.00 0.00 O ATOM 0 H GLY A 4 -13.953 2.444 -8.467 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.848 -0.299 -7.628 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.734 0.339 -9.256 1.00 0.00 H new ATOM 102 N VAL A 5 -11.083 1.244 -8.497 1.00 0.00 N ATOM 103 CA VAL A 5 -9.629 1.139 -8.535 1.00 0.00 C ATOM 104 C VAL A 5 -9.047 0.792 -7.172 1.00 0.00 C ATOM 105 O VAL A 5 -7.853 0.600 -7.058 1.00 0.00 O ATOM 106 CB VAL A 5 -8.950 2.427 -9.050 1.00 0.00 C ATOM 107 CG1 VAL A 5 -8.768 3.434 -7.926 1.00 0.00 C ATOM 108 CG2 VAL A 5 -7.611 2.144 -9.713 1.00 0.00 C ATOM 0 H VAL A 5 -11.441 2.181 -8.684 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.420 0.331 -9.236 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.614 2.850 -9.804 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.288 4.332 -8.316 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.741 3.695 -7.510 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.144 2.999 -7.145 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.171 3.079 -10.059 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.941 1.673 -8.994 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.759 1.477 -10.562 1.00 0.00 H new ATOM 118 N LYS A 6 -9.864 0.732 -6.125 1.00 0.00 N ATOM 119 CA LYS A 6 -9.326 0.423 -4.804 1.00 0.00 C ATOM 120 C LYS A 6 -8.354 -0.744 -4.922 1.00 0.00 C ATOM 121 O LYS A 6 -7.199 -0.654 -4.504 1.00 0.00 O ATOM 122 CB LYS A 6 -10.469 0.064 -3.844 1.00 0.00 C ATOM 123 CG LYS A 6 -10.013 -0.626 -2.566 1.00 0.00 C ATOM 124 CD LYS A 6 -11.195 -1.083 -1.726 1.00 0.00 C ATOM 125 CE LYS A 6 -10.743 -1.937 -0.551 1.00 0.00 C ATOM 126 NZ LYS A 6 -10.074 -3.188 -0.999 1.00 0.00 N ATOM 0 H LYS A 6 -10.871 0.888 -6.160 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.801 1.293 -4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.007 0.974 -3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.175 -0.585 -4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.391 -1.485 -2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.394 0.057 -1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.740 -0.214 -1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.886 -1.652 -2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.058 -1.363 0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.604 -2.188 0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.025 -3.859 -0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.617 -3.612 -1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.112 -2.969 -1.327 1.00 0.00 H new ATOM 140 N GLU A 7 -8.816 -1.811 -5.547 1.00 0.00 N ATOM 141 CA GLU A 7 -7.981 -2.978 -5.775 1.00 0.00 C ATOM 142 C GLU A 7 -7.018 -2.747 -6.947 1.00 0.00 C ATOM 143 O GLU A 7 -5.961 -3.365 -7.009 1.00 0.00 O ATOM 144 CB GLU A 7 -8.847 -4.210 -6.042 1.00 0.00 C ATOM 145 CG GLU A 7 -9.769 -4.570 -4.888 1.00 0.00 C ATOM 146 CD GLU A 7 -9.015 -4.944 -3.625 1.00 0.00 C ATOM 147 OE1 GLU A 7 -7.766 -4.950 -3.657 1.00 0.00 O ATOM 148 OE2 GLU A 7 -9.674 -5.234 -2.605 1.00 0.00 O ATOM 0 H GLU A 7 -9.767 -1.895 -5.907 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.390 -3.149 -4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.448 -4.035 -6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.199 -5.060 -6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.425 -3.726 -4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.406 -5.403 -5.185 1.00 0.00 H new ATOM 155 N ASP A 8 -7.405 -1.878 -7.893 1.00 0.00 N ATOM 156 CA ASP A 8 -6.572 -1.601 -9.071 1.00 0.00 C ATOM 157 C ASP A 8 -5.272 -0.876 -8.701 1.00 0.00 C ATOM 158 O ASP A 8 -4.177 -1.335 -9.035 1.00 0.00 O ATOM 159 CB ASP A 8 -7.362 -0.801 -10.096 1.00 0.00 C ATOM 160 CG ASP A 8 -8.401 -1.640 -10.812 1.00 0.00 C ATOM 161 OD1 ASP A 8 -8.503 -2.848 -10.506 1.00 0.00 O ATOM 162 OD2 ASP A 8 -9.114 -1.092 -11.679 1.00 0.00 O ATOM 0 H ASP A 8 -8.283 -1.359 -7.865 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.290 -2.559 -9.508 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.854 0.035 -9.599 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.675 -0.376 -10.828 1.00 0.00 H new ATOM 167 N ILE A 9 -5.395 0.225 -7.967 1.00 0.00 N ATOM 168 CA ILE A 9 -4.242 0.977 -7.504 1.00 0.00 C ATOM 169 C ILE A 9 -3.448 0.094 -6.565 1.00 0.00 C ATOM 170 O ILE A 9 -2.224 0.003 -6.656 1.00 0.00 O ATOM 171 CB ILE A 9 -4.675 2.286 -6.793 1.00 0.00 C ATOM 172 CG1 ILE A 9 -4.982 3.372 -7.825 1.00 0.00 C ATOM 173 CG2 ILE A 9 -3.617 2.775 -5.814 1.00 0.00 C ATOM 174 CD1 ILE A 9 -5.481 4.663 -7.214 1.00 0.00 C ATOM 0 H ILE A 9 -6.292 0.616 -7.680 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.627 1.266 -8.356 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.577 2.067 -6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.081 3.578 -8.403 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.730 2.997 -8.523 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.959 3.694 -5.337 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.446 2.014 -5.053 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.688 2.968 -6.349 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.678 5.387 -8.004 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.400 4.472 -6.659 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.725 5.061 -6.537 1.00 0.00 H new ATOM 186 N ARG A 10 -4.168 -0.598 -5.688 1.00 0.00 N ATOM 187 CA ARG A 10 -3.542 -1.522 -4.764 1.00 0.00 C ATOM 188 C ARG A 10 -2.827 -2.597 -5.563 1.00 0.00 C ATOM 189 O ARG A 10 -1.840 -3.171 -5.111 1.00 0.00 O ATOM 190 CB ARG A 10 -4.591 -2.150 -3.846 1.00 0.00 C ATOM 191 CG ARG A 10 -4.071 -2.461 -2.459 1.00 0.00 C ATOM 192 CD ARG A 10 -4.140 -1.258 -1.535 1.00 0.00 C ATOM 193 NE ARG A 10 -4.029 0.034 -2.227 1.00 0.00 N ATOM 194 CZ ARG A 10 -4.003 1.208 -1.600 1.00 0.00 C ATOM 195 NH1 ARG A 10 -4.008 1.259 -0.279 1.00 0.00 N ATOM 196 NH2 ARG A 10 -3.967 2.333 -2.295 1.00 0.00 N ATOM 0 H ARG A 10 -5.182 -0.533 -5.602 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.825 -0.989 -4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.442 -1.473 -3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.958 -3.069 -4.302 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.651 -3.279 -2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.039 -2.804 -2.529 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.083 -1.286 -0.988 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.341 -1.333 -0.797 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.968 0.031 -3.245 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.032 0.396 0.265 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.988 2.161 0.197 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.959 2.303 -3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.947 3.231 -1.811 1.00 0.00 H new ATOM 210 N GLY A 11 -3.319 -2.837 -6.777 1.00 0.00 N ATOM 211 CA GLY A 11 -2.689 -3.811 -7.643 1.00 0.00 C ATOM 212 C GLY A 11 -1.292 -3.355 -7.968 1.00 0.00 C ATOM 213 O GLY A 11 -0.337 -4.132 -7.934 1.00 0.00 O ATOM 0 H GLY A 11 -4.138 -2.375 -7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.662 -4.785 -7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.268 -3.929 -8.559 1.00 0.00 H new ATOM 217 N GLN A 12 -1.184 -2.059 -8.234 1.00 0.00 N ATOM 218 CA GLN A 12 0.095 -1.436 -8.515 1.00 0.00 C ATOM 219 C GLN A 12 0.983 -1.523 -7.277 1.00 0.00 C ATOM 220 O GLN A 12 2.209 -1.563 -7.376 1.00 0.00 O ATOM 221 CB GLN A 12 -0.111 0.031 -8.907 1.00 0.00 C ATOM 222 CG GLN A 12 -0.972 0.221 -10.143 1.00 0.00 C ATOM 223 CD GLN A 12 -1.145 1.680 -10.515 1.00 0.00 C ATOM 224 OE1 GLN A 12 -1.673 2.474 -9.735 1.00 0.00 O ATOM 225 NE2 GLN A 12 -0.701 2.044 -11.714 1.00 0.00 N ATOM 0 H GLN A 12 -1.977 -1.418 -8.260 1.00 0.00 H new ATOM 0 HA GLN A 12 0.575 -1.956 -9.343 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.570 0.559 -8.071 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.862 0.491 -9.079 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.522 -0.313 -10.980 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.952 -0.225 -9.971 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.270 1.354 -12.329 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.792 3.013 -12.019 1.00 0.00 H new ATOM 234 N ILE A 13 0.338 -1.549 -6.108 1.00 0.00 N ATOM 235 CA ILE A 13 1.037 -1.627 -4.832 1.00 0.00 C ATOM 236 C ILE A 13 1.590 -3.030 -4.589 1.00 0.00 C ATOM 237 O ILE A 13 2.739 -3.186 -4.193 1.00 0.00 O ATOM 238 CB ILE A 13 0.105 -1.228 -3.667 1.00 0.00 C ATOM 239 CG1 ILE A 13 -0.390 0.208 -3.856 1.00 0.00 C ATOM 240 CG2 ILE A 13 0.809 -1.378 -2.322 1.00 0.00 C ATOM 241 CD1 ILE A 13 -1.336 0.668 -2.769 1.00 0.00 C ATOM 0 H ILE A 13 -0.678 -1.517 -6.024 1.00 0.00 H new ATOM 0 HA ILE A 13 1.871 -0.926 -4.876 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.753 -1.901 -3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.469 0.879 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.891 0.287 -4.821 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.128 -1.090 -1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.113 -2.416 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.689 -0.736 -2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.646 1.694 -2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.213 0.021 -2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.831 0.621 -1.804 1.00 0.00 H new ATOM 253 N ILE A 14 0.767 -4.047 -4.831 1.00 0.00 N ATOM 254 CA ILE A 14 1.191 -5.429 -4.639 1.00 0.00 C ATOM 255 C ILE A 14 2.432 -5.729 -5.475 1.00 0.00 C ATOM 256 O ILE A 14 3.452 -6.174 -4.947 1.00 0.00 O ATOM 257 CB ILE A 14 0.056 -6.418 -4.991 1.00 0.00 C ATOM 258 CG1 ILE A 14 -0.971 -6.464 -3.856 1.00 0.00 C ATOM 259 CG2 ILE A 14 0.603 -7.815 -5.266 1.00 0.00 C ATOM 260 CD1 ILE A 14 -0.377 -6.869 -2.526 1.00 0.00 C ATOM 0 H ILE A 14 -0.193 -3.940 -5.159 1.00 0.00 H new ATOM 0 HA ILE A 14 1.437 -5.558 -3.585 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.431 -6.065 -5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.434 -5.483 -3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.763 -7.165 -4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.220 -8.486 -5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.299 -7.775 -6.104 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.121 -8.184 -4.381 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.159 -6.881 -1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.062 -7.863 -2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.395 -6.155 -2.240 1.00 0.00 H new ATOM 272 N GLY A 15 2.354 -5.458 -6.774 1.00 0.00 N ATOM 273 CA GLY A 15 3.496 -5.681 -7.638 1.00 0.00 C ATOM 274 C GLY A 15 4.666 -4.823 -7.207 1.00 0.00 C ATOM 275 O GLY A 15 5.821 -5.246 -7.258 1.00 0.00 O ATOM 0 H GLY A 15 1.525 -5.090 -7.241 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.780 -6.733 -7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.229 -5.450 -8.669 1.00 0.00 H new ATOM 279 N ALA A 16 4.344 -3.614 -6.764 1.00 0.00 N ATOM 280 CA ALA A 16 5.338 -2.663 -6.291 1.00 0.00 C ATOM 281 C ALA A 16 6.046 -3.189 -5.044 1.00 0.00 C ATOM 282 O ALA A 16 7.194 -2.841 -4.772 1.00 0.00 O ATOM 283 CB ALA A 16 4.665 -1.329 -5.993 1.00 0.00 C ATOM 0 H ALA A 16 3.386 -3.267 -6.723 1.00 0.00 H new ATOM 0 HA ALA A 16 6.088 -2.524 -7.070 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.410 -0.617 -5.639 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.199 -0.946 -6.901 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.903 -1.469 -5.226 1.00 0.00 H new ATOM 289 N LEU A 17 5.345 -4.033 -4.294 1.00 0.00 N ATOM 290 CA LEU A 17 5.875 -4.622 -3.075 1.00 0.00 C ATOM 291 C LEU A 17 6.793 -5.787 -3.404 1.00 0.00 C ATOM 292 O LEU A 17 7.733 -6.085 -2.668 1.00 0.00 O ATOM 293 CB LEU A 17 4.721 -5.088 -2.185 1.00 0.00 C ATOM 294 CG LEU A 17 3.938 -3.966 -1.491 1.00 0.00 C ATOM 295 CD1 LEU A 17 2.628 -4.490 -0.922 1.00 0.00 C ATOM 296 CD2 LEU A 17 4.779 -3.336 -0.388 1.00 0.00 C ATOM 0 H LEU A 17 4.394 -4.326 -4.516 1.00 0.00 H new ATOM 0 HA LEU A 17 6.456 -3.870 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.028 -5.672 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.119 -5.757 -1.422 1.00 0.00 H new ATOM 0 HG LEU A 17 3.706 -3.203 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.091 -3.676 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.017 -4.896 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.835 -5.274 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.210 -2.542 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.040 -4.095 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.690 -2.920 -0.818 1.00 0.00 H new ATOM 308 N ALA A 18 6.508 -6.439 -4.522 1.00 0.00 N ATOM 309 CA ALA A 18 7.304 -7.577 -4.967 1.00 0.00 C ATOM 310 C ALA A 18 8.768 -7.184 -5.146 1.00 0.00 C ATOM 311 O ALA A 18 9.072 -6.124 -5.693 1.00 0.00 O ATOM 312 CB ALA A 18 6.744 -8.138 -6.266 1.00 0.00 C ATOM 0 H ALA A 18 5.731 -6.200 -5.139 1.00 0.00 H new ATOM 0 HA ALA A 18 7.252 -8.349 -4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.348 -8.987 -6.586 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.716 -8.463 -6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.766 -7.366 -7.035 1.00 0.00 H new ATOM 318 N GLY A 19 9.671 -8.042 -4.681 1.00 0.00 N ATOM 319 CA GLY A 19 11.091 -7.758 -4.800 1.00 0.00 C ATOM 320 C GLY A 19 11.738 -7.428 -3.467 1.00 0.00 C ATOM 321 O GLY A 19 12.908 -7.739 -3.244 1.00 0.00 O ATOM 0 H GLY A 19 9.446 -8.926 -4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.594 -8.620 -5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.234 -6.922 -5.485 1.00 0.00 H new ATOM 325 N ALA A 20 10.976 -6.789 -2.582 1.00 0.00 N ATOM 326 CA ALA A 20 11.478 -6.407 -1.263 1.00 0.00 C ATOM 327 C ALA A 20 12.129 -7.584 -0.552 1.00 0.00 C ATOM 328 O ALA A 20 12.166 -8.696 -1.078 1.00 0.00 O ATOM 329 CB ALA A 20 10.341 -5.866 -0.410 1.00 0.00 C ATOM 0 H ALA A 20 10.006 -6.524 -2.755 1.00 0.00 H new ATOM 0 HA ALA A 20 12.233 -5.634 -1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.724 -5.584 0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.906 -4.992 -0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.576 -6.634 -0.294 1.00 0.00 H new ATOM 335 N ASP A 21 12.607 -7.334 0.665 1.00 0.00 N ATOM 336 CA ASP A 21 13.215 -8.375 1.481 1.00 0.00 C ATOM 337 C ASP A 21 12.168 -9.465 1.713 1.00 0.00 C ATOM 338 O ASP A 21 11.624 -10.000 0.748 1.00 0.00 O ATOM 339 CB ASP A 21 13.711 -7.767 2.795 1.00 0.00 C ATOM 340 CG ASP A 21 14.950 -6.913 2.608 1.00 0.00 C ATOM 341 OD1 ASP A 21 15.423 -6.795 1.457 1.00 0.00 O ATOM 342 OD2 ASP A 21 15.450 -6.364 3.611 1.00 0.00 O ATOM 0 H ASP A 21 12.583 -6.415 1.107 1.00 0.00 H new ATOM 0 HA ASP A 21 14.077 -8.818 0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.918 -7.161 3.233 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.928 -8.567 3.503 1.00 0.00 H new ATOM 347 N PHE A 22 11.818 -9.768 2.964 1.00 0.00 N ATOM 348 CA PHE A 22 10.768 -10.747 3.193 1.00 0.00 C ATOM 349 C PHE A 22 9.525 -10.213 2.501 1.00 0.00 C ATOM 350 O PHE A 22 9.560 -9.108 1.960 1.00 0.00 O ATOM 351 CB PHE A 22 10.530 -10.993 4.706 1.00 0.00 C ATOM 352 CG PHE A 22 9.694 -9.953 5.428 1.00 0.00 C ATOM 353 CD1 PHE A 22 8.461 -9.575 4.922 1.00 0.00 C ATOM 354 CD2 PHE A 22 10.132 -9.355 6.606 1.00 0.00 C ATOM 355 CE1 PHE A 22 7.691 -8.628 5.571 1.00 0.00 C ATOM 356 CE2 PHE A 22 9.369 -8.411 7.255 1.00 0.00 C ATOM 357 CZ PHE A 22 8.172 -8.047 6.765 1.00 0.00 C ATOM 0 H PHE A 22 12.232 -9.363 3.804 1.00 0.00 H new ATOM 0 HA PHE A 22 11.048 -11.719 2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.048 -11.963 4.824 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.500 -11.057 5.200 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.097 -10.025 4.010 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.089 -9.637 7.019 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.732 -8.336 5.169 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.735 -7.959 8.165 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.578 -7.310 7.284 1.00 0.00 H new ATOM 367 N PRO A 23 8.404 -10.935 2.498 1.00 0.00 N ATOM 368 CA PRO A 23 7.198 -10.432 1.857 1.00 0.00 C ATOM 369 C PRO A 23 6.663 -9.168 2.544 1.00 0.00 C ATOM 370 O PRO A 23 5.585 -9.204 3.134 1.00 0.00 O ATOM 371 CB PRO A 23 6.211 -11.594 1.987 1.00 0.00 C ATOM 372 CG PRO A 23 6.696 -12.368 3.159 1.00 0.00 C ATOM 373 CD PRO A 23 8.196 -12.259 3.117 1.00 0.00 C ATOM 0 HA PRO A 23 7.373 -10.133 0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.194 -11.235 2.143 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.198 -12.206 1.085 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.299 -11.962 4.089 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.376 -13.408 3.102 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.635 -12.314 4.113 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.644 -13.058 2.526 1.00 0.00 H new ATOM 381 N ILE A 24 7.423 -8.051 2.440 1.00 0.00 N ATOM 382 CA ILE A 24 7.035 -6.741 3.011 1.00 0.00 C ATOM 383 C ILE A 24 7.810 -6.331 4.274 1.00 0.00 C ATOM 384 O ILE A 24 7.218 -6.118 5.332 1.00 0.00 O ATOM 385 CB ILE A 24 5.523 -6.679 3.290 1.00 0.00 C ATOM 386 CG1 ILE A 24 4.765 -6.945 1.996 1.00 0.00 C ATOM 387 CG2 ILE A 24 5.122 -5.330 3.864 1.00 0.00 C ATOM 388 CD1 ILE A 24 5.178 -6.012 0.884 1.00 0.00 C ATOM 0 H ILE A 24 8.322 -8.034 1.958 1.00 0.00 H new ATOM 0 HA ILE A 24 7.305 -6.019 2.240 1.00 0.00 H new ATOM 0 HB ILE A 24 5.273 -7.440 4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.935 -7.975 1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.695 -6.839 2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.048 -5.318 4.050 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.654 -5.160 4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.376 -4.543 3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.608 -6.244 -0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.983 -4.982 1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.242 -6.136 0.682 1.00 0.00 H new ATOM 400 N ASN A 25 9.124 -6.185 4.151 1.00 0.00 N ATOM 401 CA ASN A 25 9.970 -5.766 5.278 1.00 0.00 C ATOM 402 C ASN A 25 9.635 -4.359 5.750 1.00 0.00 C ATOM 403 O ASN A 25 10.455 -3.451 5.620 1.00 0.00 O ATOM 404 CB ASN A 25 11.433 -5.800 4.873 1.00 0.00 C ATOM 405 CG ASN A 25 12.094 -7.116 5.208 1.00 0.00 C ATOM 406 OD1 ASN A 25 11.666 -8.172 4.757 1.00 0.00 O ATOM 407 ND2 ASN A 25 13.149 -7.050 6.011 1.00 0.00 N ATOM 0 H ASN A 25 9.634 -6.349 3.283 1.00 0.00 H new ATOM 0 HA ASN A 25 9.780 -6.463 6.094 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.515 -5.618 3.801 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.965 -4.992 5.375 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.641 -7.903 6.278 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.468 -6.147 6.361 1.00 0.00 H new ATOM 414 N SER A 26 8.439 -4.166 6.284 1.00 0.00 N ATOM 415 CA SER A 26 8.036 -2.849 6.742 1.00 0.00 C ATOM 416 C SER A 26 8.134 -1.868 5.583 1.00 0.00 C ATOM 417 O SER A 26 8.864 -2.102 4.621 1.00 0.00 O ATOM 418 CB SER A 26 8.910 -2.375 7.907 1.00 0.00 C ATOM 419 OG SER A 26 10.220 -2.052 7.473 1.00 0.00 O ATOM 0 H SER A 26 7.738 -4.897 6.409 1.00 0.00 H new ATOM 0 HA SER A 26 7.007 -2.902 7.099 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.454 -1.502 8.374 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.959 -3.154 8.668 1.00 0.00 H new ATOM 0 HG SER A 26 10.282 -2.173 6.503 1.00 0.00 H new ATOM 425 N PRO A 27 7.393 -0.769 5.632 1.00 0.00 N ATOM 426 CA PRO A 27 7.413 0.207 4.556 1.00 0.00 C ATOM 427 C PRO A 27 8.821 0.626 4.166 1.00 0.00 C ATOM 428 O PRO A 27 9.085 0.907 3.005 1.00 0.00 O ATOM 429 CB PRO A 27 6.601 1.377 5.111 1.00 0.00 C ATOM 430 CG PRO A 27 5.697 0.754 6.123 1.00 0.00 C ATOM 431 CD PRO A 27 6.465 -0.398 6.712 1.00 0.00 C ATOM 0 HA PRO A 27 6.997 -0.196 3.632 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.247 2.129 5.564 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.034 1.876 4.325 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.420 1.473 6.894 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.772 0.410 5.661 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.997 -0.107 7.618 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.808 -1.225 6.980 1.00 0.00 H new ATOM 439 N GLU A 28 9.735 0.650 5.118 1.00 0.00 N ATOM 440 CA GLU A 28 11.107 1.025 4.809 1.00 0.00 C ATOM 441 C GLU A 28 11.646 0.168 3.662 1.00 0.00 C ATOM 442 O GLU A 28 12.073 0.678 2.623 1.00 0.00 O ATOM 443 CB GLU A 28 11.992 0.845 6.043 1.00 0.00 C ATOM 444 CG GLU A 28 11.503 1.615 7.259 1.00 0.00 C ATOM 445 CD GLU A 28 12.394 1.424 8.472 1.00 0.00 C ATOM 446 OE1 GLU A 28 13.396 0.686 8.363 1.00 0.00 O ATOM 447 OE2 GLU A 28 12.090 2.014 9.531 1.00 0.00 O ATOM 0 H GLU A 28 9.560 0.419 6.096 1.00 0.00 H new ATOM 0 HA GLU A 28 11.120 2.072 4.507 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.044 -0.215 6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.006 1.166 5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.451 2.676 7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.490 1.294 7.503 1.00 0.00 H new ATOM 454 N GLU A 29 11.619 -1.142 3.863 1.00 0.00 N ATOM 455 CA GLU A 29 12.111 -2.082 2.872 1.00 0.00 C ATOM 456 C GLU A 29 11.161 -2.273 1.705 1.00 0.00 C ATOM 457 O GLU A 29 11.542 -2.070 0.560 1.00 0.00 O ATOM 458 CB GLU A 29 12.289 -3.413 3.523 1.00 0.00 C ATOM 459 CG GLU A 29 13.019 -4.406 2.639 1.00 0.00 C ATOM 460 CD GLU A 29 14.396 -3.920 2.231 1.00 0.00 C ATOM 461 OE1 GLU A 29 15.230 -3.680 3.128 1.00 0.00 O ATOM 462 OE2 GLU A 29 14.639 -3.781 1.015 1.00 0.00 O ATOM 0 H GLU A 29 11.258 -1.578 4.711 1.00 0.00 H new ATOM 0 HA GLU A 29 13.045 -1.673 2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.842 -3.286 4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.312 -3.817 3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.114 -5.355 3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.425 -4.596 1.745 1.00 0.00 H new ATOM 469 N LEU A 30 9.931 -2.693 1.990 1.00 0.00 N ATOM 470 CA LEU A 30 8.955 -2.930 0.934 1.00 0.00 C ATOM 471 C LEU A 30 8.887 -1.713 0.015 1.00 0.00 C ATOM 472 O LEU A 30 8.900 -1.840 -1.216 1.00 0.00 O ATOM 473 CB LEU A 30 7.585 -3.234 1.546 1.00 0.00 C ATOM 474 CG LEU A 30 6.903 -2.042 2.212 1.00 0.00 C ATOM 475 CD1 LEU A 30 6.196 -1.174 1.181 1.00 0.00 C ATOM 476 CD2 LEU A 30 5.930 -2.502 3.283 1.00 0.00 C ATOM 0 H LEU A 30 9.590 -2.874 2.934 1.00 0.00 H new ATOM 0 HA LEU A 30 9.261 -3.793 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.931 -3.619 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.700 -4.028 2.284 1.00 0.00 H new ATOM 0 HG LEU A 30 7.675 -1.440 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.718 -0.332 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.923 -0.802 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.440 -1.765 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.457 -1.634 3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.166 -3.135 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.467 -3.068 4.044 1.00 0.00 H new ATOM 488 N MET A 31 8.869 -0.527 0.617 1.00 0.00 N ATOM 489 CA MET A 31 8.859 0.700 -0.157 1.00 0.00 C ATOM 490 C MET A 31 10.177 0.801 -0.910 1.00 0.00 C ATOM 491 O MET A 31 10.237 1.351 -2.010 1.00 0.00 O ATOM 492 CB MET A 31 8.667 1.926 0.736 1.00 0.00 C ATOM 493 CG MET A 31 8.167 3.160 0.001 1.00 0.00 C ATOM 494 SD MET A 31 8.040 4.600 1.082 1.00 0.00 S ATOM 495 CE MET A 31 7.065 3.942 2.433 1.00 0.00 C ATOM 0 H MET A 31 8.861 -0.395 1.628 1.00 0.00 H new ATOM 0 HA MET A 31 8.022 0.675 -0.854 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.961 1.678 1.528 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.616 2.163 1.218 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.842 3.387 -0.824 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.191 2.949 -0.435 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.405 4.719 2.817 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.468 3.103 2.076 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.728 3.603 3.229 1.00 0.00 H new ATOM 505 N ALA A 32 11.242 0.241 -0.314 1.00 0.00 N ATOM 506 CA ALA A 32 12.549 0.258 -0.955 1.00 0.00 C ATOM 507 C ALA A 32 12.562 -0.663 -2.173 1.00 0.00 C ATOM 508 O ALA A 32 13.299 -0.433 -3.133 1.00 0.00 O ATOM 509 CB ALA A 32 13.633 -0.152 0.032 1.00 0.00 C ATOM 0 H ALA A 32 11.217 -0.220 0.596 1.00 0.00 H new ATOM 0 HA ALA A 32 12.753 1.275 -1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.603 -0.134 -0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.642 0.543 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.431 -1.159 0.397 1.00 0.00 H new ATOM 515 N ALA A 33 11.747 -1.714 -2.117 1.00 0.00 N ATOM 516 CA ALA A 33 11.661 -2.684 -3.196 1.00 0.00 C ATOM 517 C ALA A 33 11.048 -2.089 -4.451 1.00 0.00 C ATOM 518 O ALA A 33 11.488 -2.387 -5.562 1.00 0.00 O ATOM 519 CB ALA A 33 10.849 -3.879 -2.746 1.00 0.00 C ATOM 0 H ALA A 33 11.133 -1.913 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 33 12.677 -2.995 -3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.787 -4.603 -3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.329 -4.341 -1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.845 -3.554 -2.472 1.00 0.00 H new ATOM 525 N LEU A 34 10.014 -1.265 -4.267 1.00 0.00 N ATOM 526 CA LEU A 34 9.310 -0.632 -5.392 1.00 0.00 C ATOM 527 C LEU A 34 10.206 -0.501 -6.630 1.00 0.00 C ATOM 528 O LEU A 34 11.376 -0.134 -6.529 1.00 0.00 O ATOM 529 CB LEU A 34 8.758 0.733 -4.981 1.00 0.00 C ATOM 530 CG LEU A 34 7.407 0.691 -4.258 1.00 0.00 C ATOM 531 CD1 LEU A 34 7.478 -0.204 -3.034 1.00 0.00 C ATOM 532 CD2 LEU A 34 6.960 2.091 -3.865 1.00 0.00 C ATOM 0 H LEU A 34 9.643 -1.018 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 34 8.477 -1.282 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.485 1.223 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.657 1.352 -5.873 1.00 0.00 H new ATOM 0 HG LEU A 34 6.671 0.275 -4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.508 -0.218 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.745 -1.216 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.232 0.179 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.999 2.036 -3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.700 2.536 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.860 2.706 -4.760 1.00 0.00 H new ATOM 544 N PRO A 35 9.662 -0.839 -7.817 1.00 0.00 N ATOM 545 CA PRO A 35 10.402 -0.806 -9.093 1.00 0.00 C ATOM 546 C PRO A 35 10.787 0.591 -9.590 1.00 0.00 C ATOM 547 O PRO A 35 10.952 0.786 -10.795 1.00 0.00 O ATOM 548 CB PRO A 35 9.431 -1.459 -10.081 1.00 0.00 C ATOM 549 CG PRO A 35 8.083 -1.241 -9.488 1.00 0.00 C ATOM 550 CD PRO A 35 8.278 -1.318 -8.004 1.00 0.00 C ATOM 0 HA PRO A 35 11.362 -1.309 -8.979 1.00 0.00 H new ATOM 0 HB2 PRO A 35 9.507 -1.005 -11.069 1.00 0.00 H new ATOM 0 HB3 PRO A 35 9.643 -2.521 -10.201 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.678 -0.272 -9.780 1.00 0.00 H new ATOM 0 HG3 PRO A 35 7.377 -1.998 -9.830 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.561 -0.693 -7.471 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.151 -2.335 -7.634 1.00 0.00 H new ATOM 558 N ASN A 36 10.935 1.562 -8.693 1.00 0.00 N ATOM 559 CA ASN A 36 11.303 2.912 -9.117 1.00 0.00 C ATOM 560 C ASN A 36 12.489 3.457 -8.321 1.00 0.00 C ATOM 561 O ASN A 36 13.242 4.295 -8.815 1.00 0.00 O ATOM 562 CB ASN A 36 10.117 3.852 -8.926 1.00 0.00 C ATOM 563 CG ASN A 36 9.810 4.063 -7.456 1.00 0.00 C ATOM 564 OD1 ASN A 36 9.462 3.124 -6.744 1.00 0.00 O ATOM 565 ND2 ASN A 36 9.944 5.296 -6.995 1.00 0.00 N ATOM 0 H ASN A 36 10.809 1.445 -7.688 1.00 0.00 H new ATOM 0 HA ASN A 36 11.588 2.857 -10.168 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.332 4.812 -9.396 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.241 3.441 -9.427 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.756 5.496 -6.013 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.235 6.046 -7.622 1.00 0.00 H new ATOM 572 N GLY A 37 12.647 2.980 -7.091 1.00 0.00 N ATOM 573 CA GLY A 37 13.735 3.442 -6.249 1.00 0.00 C ATOM 574 C GLY A 37 13.275 4.426 -5.179 1.00 0.00 C ATOM 575 O GLY A 37 13.253 4.084 -3.998 1.00 0.00 O ATOM 0 H GLY A 37 12.041 2.281 -6.662 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.207 2.584 -5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.494 3.917 -6.871 1.00 0.00 H new ATOM 579 N PRO A 38 12.907 5.670 -5.557 1.00 0.00 N ATOM 580 CA PRO A 38 12.460 6.688 -4.602 1.00 0.00 C ATOM 581 C PRO A 38 10.975 6.579 -4.243 1.00 0.00 C ATOM 582 O PRO A 38 10.283 7.590 -4.125 1.00 0.00 O ATOM 583 CB PRO A 38 12.734 7.990 -5.349 1.00 0.00 C ATOM 584 CG PRO A 38 12.540 7.647 -6.786 1.00 0.00 C ATOM 585 CD PRO A 38 12.913 6.188 -6.938 1.00 0.00 C ATOM 0 HA PRO A 38 12.972 6.596 -3.644 1.00 0.00 H new ATOM 0 HB2 PRO A 38 12.051 8.779 -5.034 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.745 8.350 -5.160 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.506 7.816 -7.088 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.165 8.275 -7.422 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.198 5.657 -7.566 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.892 6.073 -7.403 1.00 0.00 H new ATOM 593 N ASP A 39 10.498 5.354 -4.051 1.00 0.00 N ATOM 594 CA ASP A 39 9.107 5.111 -3.681 1.00 0.00 C ATOM 595 C ASP A 39 8.127 5.606 -4.749 1.00 0.00 C ATOM 596 O ASP A 39 7.752 6.778 -4.770 1.00 0.00 O ATOM 597 CB ASP A 39 8.804 5.781 -2.339 1.00 0.00 C ATOM 598 CG ASP A 39 9.918 5.582 -1.325 1.00 0.00 C ATOM 599 OD1 ASP A 39 10.817 4.757 -1.585 1.00 0.00 O ATOM 600 OD2 ASP A 39 9.892 6.256 -0.274 1.00 0.00 O ATOM 0 H ASP A 39 11.059 4.507 -4.146 1.00 0.00 H new ATOM 0 HA ASP A 39 8.973 4.033 -3.595 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.647 6.848 -2.497 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.875 5.378 -1.937 1.00 0.00 H new ATOM 605 N THR A 40 7.722 4.693 -5.634 1.00 0.00 N ATOM 606 CA THR A 40 6.789 5.017 -6.714 1.00 0.00 C ATOM 607 C THR A 40 5.385 5.287 -6.186 1.00 0.00 C ATOM 608 O THR A 40 4.915 4.619 -5.266 1.00 0.00 O ATOM 609 CB THR A 40 6.703 3.886 -7.760 1.00 0.00 C ATOM 610 OG1 THR A 40 5.729 4.217 -8.758 1.00 0.00 O ATOM 611 CG2 THR A 40 6.330 2.564 -7.104 1.00 0.00 C ATOM 0 H THR A 40 8.027 3.720 -5.623 1.00 0.00 H new ATOM 0 HA THR A 40 7.182 5.918 -7.185 1.00 0.00 H new ATOM 0 HB THR A 40 7.683 3.778 -8.225 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.681 3.496 -9.420 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.276 1.784 -7.863 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.085 2.299 -6.364 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.361 2.661 -6.614 1.00 0.00 H new ATOM 619 N THR A 41 4.716 6.267 -6.786 1.00 0.00 N ATOM 620 CA THR A 41 3.361 6.622 -6.389 1.00 0.00 C ATOM 621 C THR A 41 2.336 6.018 -7.348 1.00 0.00 C ATOM 622 O THR A 41 2.365 6.289 -8.549 1.00 0.00 O ATOM 623 CB THR A 41 3.170 8.151 -6.360 1.00 0.00 C ATOM 624 OG1 THR A 41 4.182 8.757 -5.548 1.00 0.00 O ATOM 625 CG2 THR A 41 1.795 8.516 -5.820 1.00 0.00 C ATOM 0 H THR A 41 5.092 6.829 -7.550 1.00 0.00 H new ATOM 0 HA THR A 41 3.206 6.221 -5.387 1.00 0.00 H new ATOM 0 HB THR A 41 3.253 8.523 -7.381 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.398 9.645 -5.903 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.684 9.600 -5.809 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.026 8.079 -6.457 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.688 8.130 -4.806 1.00 0.00 H new ATOM 633 N CYS A 42 1.421 5.213 -6.814 1.00 0.00 N ATOM 634 CA CYS A 42 0.381 4.594 -7.630 1.00 0.00 C ATOM 635 C CYS A 42 -0.871 5.467 -7.631 1.00 0.00 C ATOM 636 O CYS A 42 -1.984 4.982 -7.431 1.00 0.00 O ATOM 637 CB CYS A 42 0.049 3.193 -7.109 1.00 0.00 C ATOM 638 SG CYS A 42 1.473 2.080 -7.031 1.00 0.00 S ATOM 0 H CYS A 42 1.379 4.975 -5.823 1.00 0.00 H new ATOM 0 HA CYS A 42 0.750 4.502 -8.651 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.386 3.280 -6.113 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.712 2.749 -7.751 1.00 0.00 H new ATOM 0 HG CYS A 42 1.216 1.104 -6.212 1.00 0.00 H new ATOM 644 N LYS A 43 -0.670 6.765 -7.841 1.00 0.00 N ATOM 645 CA LYS A 43 -1.767 7.724 -7.852 1.00 0.00 C ATOM 646 C LYS A 43 -2.579 7.644 -9.136 1.00 0.00 C ATOM 647 O LYS A 43 -2.043 7.773 -10.237 1.00 0.00 O ATOM 648 CB LYS A 43 -1.226 9.145 -7.686 1.00 0.00 C ATOM 649 CG LYS A 43 -0.163 9.516 -8.710 1.00 0.00 C ATOM 650 CD LYS A 43 0.242 10.977 -8.594 1.00 0.00 C ATOM 651 CE LYS A 43 -0.892 11.905 -9.005 1.00 0.00 C ATOM 652 NZ LYS A 43 -0.515 13.338 -8.861 1.00 0.00 N ATOM 0 H LYS A 43 0.248 7.177 -8.007 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.423 7.474 -7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.053 9.851 -7.761 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.807 9.251 -6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.713 8.883 -8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.541 9.321 -9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.536 11.193 -7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.113 11.165 -9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.169 11.704 -10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.771 11.697 -8.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.314 13.938 -9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.275 13.536 -7.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.308 13.543 -9.463 1.00 0.00 H new ATOM 666 N SER A 44 -3.885 7.463 -8.981 1.00 0.00 N ATOM 667 CA SER A 44 -4.791 7.406 -10.117 1.00 0.00 C ATOM 668 C SER A 44 -5.615 8.684 -10.159 1.00 0.00 C ATOM 669 O SER A 44 -6.322 9.006 -9.203 1.00 0.00 O ATOM 670 CB SER A 44 -5.708 6.186 -10.015 1.00 0.00 C ATOM 671 OG SER A 44 -4.959 4.983 -10.023 1.00 0.00 O ATOM 0 H SER A 44 -4.340 7.353 -8.075 1.00 0.00 H new ATOM 0 HA SER A 44 -4.211 7.314 -11.035 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.297 6.245 -9.100 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.412 6.185 -10.847 1.00 0.00 H new ATOM 0 HG SER A 44 -5.425 4.311 -10.563 1.00 0.00 H new ATOM 677 N GLY A 45 -5.510 9.425 -11.254 1.00 0.00 N ATOM 678 CA GLY A 45 -6.243 10.669 -11.363 1.00 0.00 C ATOM 679 C GLY A 45 -5.807 11.667 -10.306 1.00 0.00 C ATOM 680 O GLY A 45 -4.616 11.950 -10.166 1.00 0.00 O ATOM 0 H GLY A 45 -4.935 9.189 -12.063 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.090 11.097 -12.354 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.311 10.473 -11.262 1.00 0.00 H new ATOM 684 N ASP A 46 -6.767 12.200 -9.561 1.00 0.00 N ATOM 685 CA ASP A 46 -6.473 13.171 -8.511 1.00 0.00 C ATOM 686 C ASP A 46 -5.972 12.484 -7.238 1.00 0.00 C ATOM 687 O ASP A 46 -5.063 12.979 -6.572 1.00 0.00 O ATOM 688 CB ASP A 46 -7.718 14.001 -8.194 1.00 0.00 C ATOM 689 CG ASP A 46 -8.211 14.784 -9.396 1.00 0.00 C ATOM 690 OD1 ASP A 46 -7.441 15.618 -9.917 1.00 0.00 O ATOM 691 OD2 ASP A 46 -9.366 14.562 -9.816 1.00 0.00 O ATOM 0 H ASP A 46 -7.757 11.977 -9.663 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.683 13.827 -8.878 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.512 13.341 -7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.494 14.691 -7.381 1.00 0.00 H new ATOM 696 N VAL A 47 -6.583 11.352 -6.899 1.00 0.00 N ATOM 697 CA VAL A 47 -6.214 10.606 -5.699 1.00 0.00 C ATOM 698 C VAL A 47 -4.823 9.987 -5.826 1.00 0.00 C ATOM 699 O VAL A 47 -4.441 9.507 -6.893 1.00 0.00 O ATOM 700 CB VAL A 47 -7.238 9.492 -5.402 1.00 0.00 C ATOM 701 CG1 VAL A 47 -6.936 8.821 -4.071 1.00 0.00 C ATOM 702 CG2 VAL A 47 -8.655 10.050 -5.417 1.00 0.00 C ATOM 0 H VAL A 47 -7.338 10.930 -7.440 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.207 11.320 -4.875 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.159 8.738 -6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.671 8.039 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.939 8.382 -4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.981 9.561 -3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.364 9.249 -5.205 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.748 10.827 -4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.869 10.474 -6.398 1.00 0.00 H new ATOM 712 N GLU A 48 -4.072 10.002 -4.726 1.00 0.00 N ATOM 713 CA GLU A 48 -2.724 9.442 -4.710 1.00 0.00 C ATOM 714 C GLU A 48 -2.577 8.414 -3.590 1.00 0.00 C ATOM 715 O GLU A 48 -2.993 8.657 -2.457 1.00 0.00 O ATOM 716 CB GLU A 48 -1.689 10.553 -4.525 1.00 0.00 C ATOM 717 CG GLU A 48 -1.820 11.685 -5.531 1.00 0.00 C ATOM 718 CD GLU A 48 -0.798 12.783 -5.308 1.00 0.00 C ATOM 719 OE1 GLU A 48 0.413 12.489 -5.371 1.00 0.00 O ATOM 720 OE2 GLU A 48 -1.212 13.938 -5.068 1.00 0.00 O ATOM 0 H GLU A 48 -4.375 10.396 -3.835 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.553 8.947 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.783 10.961 -3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.690 10.123 -4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.705 11.286 -6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.822 12.108 -5.468 1.00 0.00 H new ATOM 727 N LEU A 49 -1.982 7.268 -3.911 1.00 0.00 N ATOM 728 CA LEU A 49 -1.779 6.208 -2.929 1.00 0.00 C ATOM 729 C LEU A 49 -0.398 5.582 -3.080 1.00 0.00 C ATOM 730 O LEU A 49 0.077 5.353 -4.192 1.00 0.00 O ATOM 731 CB LEU A 49 -2.850 5.123 -3.067 1.00 0.00 C ATOM 732 CG LEU A 49 -4.268 5.540 -2.663 1.00 0.00 C ATOM 733 CD1 LEU A 49 -4.279 6.090 -1.243 1.00 0.00 C ATOM 734 CD2 LEU A 49 -4.832 6.558 -3.644 1.00 0.00 C ATOM 0 H LEU A 49 -1.632 7.050 -4.844 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.857 6.659 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.870 4.787 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.555 4.267 -2.460 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.906 4.657 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.294 6.381 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.926 5.323 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.625 6.960 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.839 6.839 -3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.196 7.443 -3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.865 6.122 -4.642 1.00 0.00 H new ATOM 746 N LYS A 50 0.241 5.309 -1.949 1.00 0.00 N ATOM 747 CA LYS A 50 1.568 4.710 -1.941 1.00 0.00 C ATOM 748 C LYS A 50 2.027 4.453 -0.512 1.00 0.00 C ATOM 749 O LYS A 50 1.588 5.122 0.418 1.00 0.00 O ATOM 750 CB LYS A 50 2.567 5.612 -2.667 1.00 0.00 C ATOM 751 CG LYS A 50 2.754 6.968 -2.009 1.00 0.00 C ATOM 752 CD LYS A 50 3.616 7.884 -2.860 1.00 0.00 C ATOM 753 CE LYS A 50 3.755 9.263 -2.235 1.00 0.00 C ATOM 754 NZ LYS A 50 4.614 10.160 -3.055 1.00 0.00 N ATOM 0 H LYS A 50 -0.141 5.494 -1.022 1.00 0.00 H new ATOM 0 HA LYS A 50 1.518 3.756 -2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.531 5.106 -2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.231 5.759 -3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.781 7.431 -1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.215 6.838 -1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.604 7.440 -2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.178 7.977 -3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.768 9.711 -2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.180 9.168 -1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.235 11.128 -3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.582 10.155 -2.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.626 9.824 -4.039 1.00 0.00 H new ATOM 768 N ALA A 51 2.903 3.473 -0.344 1.00 0.00 N ATOM 769 CA ALA A 51 3.411 3.117 0.976 1.00 0.00 C ATOM 770 C ALA A 51 3.855 4.349 1.765 1.00 0.00 C ATOM 771 O ALA A 51 3.804 4.361 2.993 1.00 0.00 O ATOM 772 CB ALA A 51 4.557 2.126 0.843 1.00 0.00 C ATOM 0 H ALA A 51 3.278 2.908 -1.106 1.00 0.00 H new ATOM 0 HA ALA A 51 2.598 2.651 1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.930 1.866 1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.203 1.226 0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.360 2.575 0.259 1.00 0.00 H new ATOM 778 N SER A 52 4.294 5.384 1.062 1.00 0.00 N ATOM 779 CA SER A 52 4.745 6.607 1.718 1.00 0.00 C ATOM 780 C SER A 52 3.574 7.386 2.324 1.00 0.00 C ATOM 781 O SER A 52 3.571 7.687 3.517 1.00 0.00 O ATOM 782 CB SER A 52 5.503 7.489 0.726 1.00 0.00 C ATOM 783 OG SER A 52 5.921 8.699 1.332 1.00 0.00 O ATOM 0 H SER A 52 4.348 5.403 0.044 1.00 0.00 H new ATOM 0 HA SER A 52 5.413 6.321 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.371 6.950 0.346 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.865 7.709 -0.130 1.00 0.00 H new ATOM 0 HG SER A 52 6.404 9.243 0.676 1.00 0.00 H new ATOM 789 N ASP A 53 2.588 7.718 1.494 1.00 0.00 N ATOM 790 CA ASP A 53 1.421 8.471 1.948 1.00 0.00 C ATOM 791 C ASP A 53 0.495 7.620 2.814 1.00 0.00 C ATOM 792 O ASP A 53 0.154 7.999 3.934 1.00 0.00 O ATOM 793 CB ASP A 53 0.644 9.010 0.743 1.00 0.00 C ATOM 794 CG ASP A 53 1.443 10.018 -0.060 1.00 0.00 C ATOM 795 OD1 ASP A 53 2.600 10.295 0.321 1.00 0.00 O ATOM 796 OD2 ASP A 53 0.914 10.530 -1.069 1.00 0.00 O ATOM 0 H ASP A 53 2.574 7.477 0.503 1.00 0.00 H new ATOM 0 HA ASP A 53 1.783 9.299 2.557 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.360 8.179 0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.279 9.475 1.089 1.00 0.00 H new ATOM 801 N ALA A 54 0.082 6.477 2.280 1.00 0.00 N ATOM 802 CA ALA A 54 -0.816 5.575 2.991 1.00 0.00 C ATOM 803 C ALA A 54 -0.080 4.750 4.043 1.00 0.00 C ATOM 804 O ALA A 54 -0.525 4.653 5.186 1.00 0.00 O ATOM 805 CB ALA A 54 -1.527 4.666 2.004 1.00 0.00 C ATOM 0 H ALA A 54 0.356 6.152 1.353 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.553 6.184 3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.196 3.995 2.544 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.105 5.270 1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.791 4.079 1.454 1.00 0.00 H new ATOM 811 N GLY A 55 1.047 4.154 3.654 1.00 0.00 N ATOM 812 CA GLY A 55 1.817 3.344 4.589 1.00 0.00 C ATOM 813 C GLY A 55 2.045 4.050 5.913 1.00 0.00 C ATOM 814 O GLY A 55 2.205 3.404 6.949 1.00 0.00 O ATOM 0 H GLY A 55 1.439 4.216 2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.295 2.404 4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.780 3.095 4.143 1.00 0.00 H new ATOM 818 N GLN A 56 2.048 5.382 5.874 1.00 0.00 N ATOM 819 CA GLN A 56 2.241 6.204 7.069 1.00 0.00 C ATOM 820 C GLN A 56 1.496 5.620 8.259 1.00 0.00 C ATOM 821 O GLN A 56 1.940 5.709 9.404 1.00 0.00 O ATOM 822 CB GLN A 56 1.694 7.608 6.817 1.00 0.00 C ATOM 823 CG GLN A 56 2.030 8.601 7.917 1.00 0.00 C ATOM 824 CD GLN A 56 3.522 8.757 8.128 1.00 0.00 C ATOM 825 OE1 GLN A 56 4.253 9.146 7.217 1.00 0.00 O ATOM 826 NE2 GLN A 56 3.984 8.454 9.336 1.00 0.00 N ATOM 0 H GLN A 56 1.917 5.920 5.017 1.00 0.00 H new ATOM 0 HA GLN A 56 3.309 6.233 7.286 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.090 7.979 5.872 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.611 7.552 6.708 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.599 9.571 7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.568 8.275 8.849 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.343 8.135 10.062 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.980 8.540 9.537 1.00 0.00 H new ATOM 835 N VAL A 57 0.339 5.062 7.960 1.00 0.00 N ATOM 836 CA VAL A 57 -0.540 4.487 8.961 1.00 0.00 C ATOM 837 C VAL A 57 -0.100 3.091 9.414 1.00 0.00 C ATOM 838 O VAL A 57 -0.926 2.283 9.838 1.00 0.00 O ATOM 839 CB VAL A 57 -1.972 4.441 8.404 1.00 0.00 C ATOM 840 CG1 VAL A 57 -2.358 5.824 7.886 1.00 0.00 C ATOM 841 CG2 VAL A 57 -2.090 3.399 7.301 1.00 0.00 C ATOM 0 H VAL A 57 -0.021 4.994 7.008 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.495 5.123 9.845 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.656 4.155 9.203 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.373 5.794 7.490 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.308 6.545 8.702 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.669 6.122 7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.112 3.384 6.922 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.406 3.649 6.490 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.837 2.417 7.700 1.00 0.00 H new ATOM 851 N LEU A 58 1.201 2.816 9.341 1.00 0.00 N ATOM 852 CA LEU A 58 1.732 1.523 9.762 1.00 0.00 C ATOM 853 C LEU A 58 2.916 1.725 10.705 1.00 0.00 C ATOM 854 O LEU A 58 3.984 2.177 10.292 1.00 0.00 O ATOM 855 CB LEU A 58 2.161 0.701 8.543 1.00 0.00 C ATOM 856 CG LEU A 58 1.122 0.623 7.420 1.00 0.00 C ATOM 857 CD1 LEU A 58 1.689 -0.114 6.216 1.00 0.00 C ATOM 858 CD2 LEU A 58 -0.151 -0.051 7.912 1.00 0.00 C ATOM 0 H LEU A 58 1.904 3.469 8.995 1.00 0.00 H new ATOM 0 HA LEU A 58 0.949 0.978 10.290 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.079 1.128 8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.397 -0.311 8.871 1.00 0.00 H new ATOM 0 HG LEU A 58 0.873 1.639 7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.936 -0.159 5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.568 0.414 5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.970 -1.126 6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.876 -0.096 7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.079 -1.061 8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.569 0.522 8.740 1.00 0.00 H new ATOM 870 N THR A 59 2.712 1.398 11.978 1.00 0.00 N ATOM 871 CA THR A 59 3.751 1.552 12.993 1.00 0.00 C ATOM 872 C THR A 59 4.874 0.537 12.815 1.00 0.00 C ATOM 873 O THR A 59 4.683 -0.521 12.217 1.00 0.00 O ATOM 874 CB THR A 59 3.171 1.411 14.413 1.00 0.00 C ATOM 875 OG1 THR A 59 2.575 0.119 14.574 1.00 0.00 O ATOM 876 CG2 THR A 59 2.133 2.490 14.683 1.00 0.00 C ATOM 0 H THR A 59 1.832 1.023 12.333 1.00 0.00 H new ATOM 0 HA THR A 59 4.159 2.555 12.865 1.00 0.00 H new ATOM 0 HB THR A 59 3.987 1.526 15.127 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.661 -0.387 13.739 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.738 2.370 15.692 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.596 3.472 14.589 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.320 2.402 13.962 1.00 0.00 H new ATOM 884 N ALA A 60 6.051 0.866 13.351 1.00 0.00 N ATOM 885 CA ALA A 60 7.211 -0.016 13.265 1.00 0.00 C ATOM 886 C ALA A 60 6.835 -1.443 13.652 1.00 0.00 C ATOM 887 O ALA A 60 7.323 -2.405 13.061 1.00 0.00 O ATOM 888 CB ALA A 60 8.332 0.498 14.157 1.00 0.00 C ATOM 0 H ALA A 60 6.224 1.739 13.850 1.00 0.00 H new ATOM 0 HA ALA A 60 7.561 -0.024 12.233 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.191 -0.169 14.083 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.622 1.499 13.837 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.988 0.533 15.191 1.00 0.00 H new ATOM 894 N ASP A 61 5.949 -1.568 14.637 1.00 0.00 N ATOM 895 CA ASP A 61 5.491 -2.877 15.092 1.00 0.00 C ATOM 896 C ASP A 61 5.020 -3.711 13.905 1.00 0.00 C ATOM 897 O ASP A 61 5.107 -4.939 13.918 1.00 0.00 O ATOM 898 CB ASP A 61 4.359 -2.722 16.109 1.00 0.00 C ATOM 899 CG ASP A 61 4.782 -1.934 17.333 1.00 0.00 C ATOM 900 OD1 ASP A 61 5.725 -2.375 18.024 1.00 0.00 O ATOM 901 OD2 ASP A 61 4.173 -0.878 17.600 1.00 0.00 O ATOM 0 H ASP A 61 5.535 -0.780 15.134 1.00 0.00 H new ATOM 0 HA ASP A 61 6.324 -3.389 15.574 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.514 -2.223 15.634 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.014 -3.709 16.418 1.00 0.00 H new ATOM 906 N ASP A 62 4.527 -3.024 12.877 1.00 0.00 N ATOM 907 CA ASP A 62 4.047 -3.677 11.664 1.00 0.00 C ATOM 908 C ASP A 62 5.200 -4.229 10.829 1.00 0.00 C ATOM 909 O ASP A 62 4.980 -4.736 9.730 1.00 0.00 O ATOM 910 CB ASP A 62 3.253 -2.688 10.811 1.00 0.00 C ATOM 911 CG ASP A 62 2.119 -2.037 11.579 1.00 0.00 C ATOM 912 OD1 ASP A 62 2.396 -1.378 12.603 1.00 0.00 O ATOM 913 OD2 ASP A 62 0.953 -2.185 11.155 1.00 0.00 O ATOM 0 H ASP A 62 4.450 -2.007 12.862 1.00 0.00 H new ATOM 0 HA ASP A 62 3.409 -4.505 11.973 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.925 -1.915 10.437 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.848 -3.206 9.942 1.00 0.00 H new ATOM 918 N PHE A 63 6.431 -4.107 11.336 1.00 0.00 N ATOM 919 CA PHE A 63 7.608 -4.575 10.610 1.00 0.00 C ATOM 920 C PHE A 63 7.324 -5.885 9.878 1.00 0.00 C ATOM 921 O PHE A 63 7.569 -5.990 8.680 1.00 0.00 O ATOM 922 CB PHE A 63 8.790 -4.761 11.561 1.00 0.00 C ATOM 923 CG PHE A 63 10.112 -4.411 10.943 1.00 0.00 C ATOM 924 CD1 PHE A 63 10.425 -3.094 10.654 1.00 0.00 C ATOM 925 CD2 PHE A 63 11.037 -5.398 10.647 1.00 0.00 C ATOM 926 CE1 PHE A 63 11.639 -2.765 10.082 1.00 0.00 C ATOM 927 CE2 PHE A 63 12.253 -5.077 10.075 1.00 0.00 C ATOM 928 CZ PHE A 63 12.555 -3.759 9.793 1.00 0.00 C ATOM 0 H PHE A 63 6.634 -3.689 12.244 1.00 0.00 H new ATOM 0 HA PHE A 63 7.861 -3.815 9.871 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.636 -4.143 12.446 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.817 -5.798 11.897 1.00 0.00 H new ATOM 0 HD1 PHE A 63 9.712 -2.314 10.878 1.00 0.00 H new ATOM 0 HD2 PHE A 63 10.805 -6.430 10.866 1.00 0.00 H new ATOM 0 HE1 PHE A 63 11.872 -1.734 9.861 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.966 -5.856 9.849 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.506 -3.505 9.347 1.00 0.00 H new ATOM 938 N PRO A 64 6.789 -6.896 10.588 1.00 0.00 N ATOM 939 CA PRO A 64 6.461 -8.189 9.999 1.00 0.00 C ATOM 940 C PRO A 64 5.051 -8.212 9.417 1.00 0.00 C ATOM 941 O PRO A 64 4.115 -8.695 10.054 1.00 0.00 O ATOM 942 CB PRO A 64 6.566 -9.126 11.196 1.00 0.00 C ATOM 943 CG PRO A 64 6.130 -8.298 12.360 1.00 0.00 C ATOM 944 CD PRO A 64 6.449 -6.858 12.023 1.00 0.00 C ATOM 0 HA PRO A 64 7.111 -8.454 9.165 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.929 -10.002 11.071 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.585 -9.489 11.327 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.063 -8.424 12.544 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.649 -8.606 13.268 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.598 -6.205 12.215 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.280 -6.482 12.621 1.00 0.00 H new ATOM 952 N PHE A 65 4.904 -7.688 8.206 1.00 0.00 N ATOM 953 CA PHE A 65 3.605 -7.649 7.546 1.00 0.00 C ATOM 954 C PHE A 65 3.238 -9.019 6.988 1.00 0.00 C ATOM 955 O PHE A 65 4.090 -9.737 6.465 1.00 0.00 O ATOM 956 CB PHE A 65 3.606 -6.632 6.403 1.00 0.00 C ATOM 957 CG PHE A 65 2.754 -5.421 6.659 1.00 0.00 C ATOM 958 CD1 PHE A 65 3.242 -4.329 7.362 1.00 0.00 C ATOM 959 CD2 PHE A 65 1.450 -5.385 6.204 1.00 0.00 C ATOM 960 CE1 PHE A 65 2.439 -3.230 7.600 1.00 0.00 C ATOM 961 CE2 PHE A 65 0.645 -4.292 6.436 1.00 0.00 C ATOM 962 CZ PHE A 65 1.138 -3.211 7.137 1.00 0.00 C ATOM 0 H PHE A 65 5.667 -7.285 7.662 1.00 0.00 H new ATOM 0 HA PHE A 65 2.868 -7.354 8.293 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.631 -6.310 6.219 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.258 -7.123 5.494 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.259 -4.338 7.726 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.055 -6.228 5.657 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.829 -2.385 8.148 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.371 -4.281 6.070 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.509 -2.353 7.323 1.00 0.00 H new ATOM 972 N LYS A 66 1.960 -9.364 7.090 1.00 0.00 N ATOM 973 CA LYS A 66 1.462 -10.636 6.580 1.00 0.00 C ATOM 974 C LYS A 66 1.514 -10.658 5.052 1.00 0.00 C ATOM 975 O LYS A 66 0.481 -10.682 4.369 1.00 0.00 O ATOM 976 CB LYS A 66 0.036 -10.882 7.067 1.00 0.00 C ATOM 977 CG LYS A 66 -0.073 -11.047 8.574 1.00 0.00 C ATOM 978 CD LYS A 66 0.739 -12.236 9.065 1.00 0.00 C ATOM 979 CE LYS A 66 0.621 -12.408 10.571 1.00 0.00 C ATOM 980 NZ LYS A 66 1.116 -11.212 11.311 1.00 0.00 N ATOM 0 H LYS A 66 1.247 -8.778 7.523 1.00 0.00 H new ATOM 0 HA LYS A 66 2.101 -11.434 6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.594 -10.049 6.755 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.355 -11.777 6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.275 -10.139 9.067 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.119 -11.180 8.852 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.396 -13.143 8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.786 -12.100 8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.421 -12.592 10.834 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.188 -13.286 10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.209 -11.443 12.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.043 -10.929 10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.442 -10.429 11.196 1.00 0.00 H new ATOM 994 N SER A 67 2.730 -10.639 4.527 1.00 0.00 N ATOM 995 CA SER A 67 2.951 -10.659 3.092 1.00 0.00 C ATOM 996 C SER A 67 2.339 -9.442 2.396 1.00 0.00 C ATOM 997 O SER A 67 1.466 -8.757 2.938 1.00 0.00 O ATOM 998 CB SER A 67 2.405 -11.952 2.491 1.00 0.00 C ATOM 999 OG SER A 67 2.900 -13.084 3.184 1.00 0.00 O ATOM 0 H SER A 67 3.586 -10.609 5.081 1.00 0.00 H new ATOM 0 HA SER A 67 4.027 -10.615 2.927 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.316 -11.944 2.532 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.684 -12.014 1.439 1.00 0.00 H new ATOM 0 HG SER A 67 2.535 -13.899 2.782 1.00 0.00 H new ATOM 1005 N ALA A 68 2.823 -9.183 1.186 1.00 0.00 N ATOM 1006 CA ALA A 68 2.364 -8.057 0.379 1.00 0.00 C ATOM 1007 C ALA A 68 0.847 -8.028 0.256 1.00 0.00 C ATOM 1008 O ALA A 68 0.246 -6.960 0.145 1.00 0.00 O ATOM 1009 CB ALA A 68 3.013 -8.119 -0.994 1.00 0.00 C ATOM 0 H ALA A 68 3.544 -9.747 0.737 1.00 0.00 H new ATOM 0 HA ALA A 68 2.660 -7.135 0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.670 -7.278 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.097 -8.071 -0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.738 -9.053 -1.484 1.00 0.00 H new ATOM 1015 N GLU A 69 0.229 -9.200 0.277 1.00 0.00 N ATOM 1016 CA GLU A 69 -1.219 -9.292 0.165 1.00 0.00 C ATOM 1017 C GLU A 69 -1.913 -8.541 1.300 1.00 0.00 C ATOM 1018 O GLU A 69 -2.854 -7.773 1.059 1.00 0.00 O ATOM 1019 CB GLU A 69 -1.661 -10.753 0.156 1.00 0.00 C ATOM 1020 CG GLU A 69 -1.231 -11.518 1.384 1.00 0.00 C ATOM 1021 CD GLU A 69 -1.579 -12.991 1.311 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -1.096 -13.670 0.380 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -2.335 -13.468 2.183 1.00 0.00 O ATOM 0 H GLU A 69 0.705 -10.097 0.370 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.510 -8.827 -0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.747 -10.796 0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.254 -11.242 -0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.154 -11.410 1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.705 -11.081 2.263 1.00 0.00 H new ATOM 1030 N GLU A 70 -1.464 -8.749 2.542 1.00 0.00 N ATOM 1031 CA GLU A 70 -2.086 -8.068 3.663 1.00 0.00 C ATOM 1032 C GLU A 70 -1.812 -6.577 3.593 1.00 0.00 C ATOM 1033 O GLU A 70 -2.647 -5.769 3.983 1.00 0.00 O ATOM 1034 CB GLU A 70 -1.638 -8.654 5.007 1.00 0.00 C ATOM 1035 CG GLU A 70 -0.389 -8.017 5.582 1.00 0.00 C ATOM 1036 CD GLU A 70 -0.637 -7.374 6.934 1.00 0.00 C ATOM 1037 OE1 GLU A 70 -1.480 -6.456 7.008 1.00 0.00 O ATOM 1038 OE2 GLU A 70 0.013 -7.789 7.917 1.00 0.00 O ATOM 0 H GLU A 70 -0.691 -9.369 2.785 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.162 -8.225 3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.450 -8.546 5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.462 -9.723 4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.389 -8.774 5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.016 -7.264 4.888 1.00 0.00 H new ATOM 1045 N VAL A 71 -0.641 -6.215 3.084 1.00 0.00 N ATOM 1046 CA VAL A 71 -0.285 -4.806 2.956 1.00 0.00 C ATOM 1047 C VAL A 71 -1.297 -4.080 2.076 1.00 0.00 C ATOM 1048 O VAL A 71 -1.780 -3.006 2.424 1.00 0.00 O ATOM 1049 CB VAL A 71 1.122 -4.621 2.360 1.00 0.00 C ATOM 1050 CG1 VAL A 71 1.429 -3.145 2.141 1.00 0.00 C ATOM 1051 CG2 VAL A 71 2.170 -5.251 3.258 1.00 0.00 C ATOM 0 H VAL A 71 0.071 -6.868 2.756 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.292 -4.383 3.960 1.00 0.00 H new ATOM 0 HB VAL A 71 1.147 -5.123 1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.429 -3.040 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.698 -2.720 1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.380 -2.618 3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.158 -5.110 2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.138 -4.780 4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.968 -6.317 3.361 1.00 0.00 H new ATOM 1061 N ALA A 72 -1.616 -4.680 0.936 1.00 0.00 N ATOM 1062 CA ALA A 72 -2.571 -4.092 0.006 1.00 0.00 C ATOM 1063 C ALA A 72 -3.914 -3.832 0.681 1.00 0.00 C ATOM 1064 O ALA A 72 -4.420 -2.710 0.666 1.00 0.00 O ATOM 1065 CB ALA A 72 -2.755 -5.004 -1.197 1.00 0.00 C ATOM 0 H ALA A 72 -1.227 -5.573 0.634 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.173 -3.134 -0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.471 -4.556 -1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.798 -5.137 -1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.128 -5.973 -0.865 1.00 0.00 H new ATOM 1071 N ASP A 73 -4.493 -4.871 1.272 1.00 0.00 N ATOM 1072 CA ASP A 73 -5.786 -4.741 1.944 1.00 0.00 C ATOM 1073 C ASP A 73 -5.701 -3.806 3.152 1.00 0.00 C ATOM 1074 O ASP A 73 -6.641 -3.069 3.452 1.00 0.00 O ATOM 1075 CB ASP A 73 -6.296 -6.114 2.383 1.00 0.00 C ATOM 1076 CG ASP A 73 -6.484 -7.062 1.214 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -5.488 -7.344 0.514 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -7.624 -7.522 1.000 1.00 0.00 O ATOM 0 H ASP A 73 -4.093 -5.809 1.301 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.486 -4.307 1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.592 -6.550 3.092 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.244 -5.996 2.907 1.00 0.00 H new ATOM 1083 N THR A 74 -4.577 -3.860 3.850 1.00 0.00 N ATOM 1084 CA THR A 74 -4.358 -3.040 5.037 1.00 0.00 C ATOM 1085 C THR A 74 -4.293 -1.552 4.701 1.00 0.00 C ATOM 1086 O THR A 74 -4.946 -0.733 5.346 1.00 0.00 O ATOM 1087 CB THR A 74 -3.055 -3.456 5.753 1.00 0.00 C ATOM 1088 OG1 THR A 74 -3.156 -4.813 6.200 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.759 -2.551 6.940 1.00 0.00 C ATOM 0 H THR A 74 -3.794 -4.469 3.614 1.00 0.00 H new ATOM 0 HA THR A 74 -5.210 -3.206 5.696 1.00 0.00 H new ATOM 0 HB THR A 74 -2.237 -3.361 5.039 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.492 -5.362 5.732 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.835 -2.872 7.421 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.650 -1.523 6.595 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.579 -2.609 7.655 1.00 0.00 H new ATOM 1097 N ILE A 75 -3.488 -1.205 3.703 1.00 0.00 N ATOM 1098 CA ILE A 75 -3.325 0.187 3.302 1.00 0.00 C ATOM 1099 C ILE A 75 -4.654 0.809 2.861 1.00 0.00 C ATOM 1100 O ILE A 75 -5.014 1.890 3.325 1.00 0.00 O ATOM 1101 CB ILE A 75 -2.271 0.318 2.180 1.00 0.00 C ATOM 1102 CG1 ILE A 75 -0.911 -0.177 2.679 1.00 0.00 C ATOM 1103 CG2 ILE A 75 -2.151 1.758 1.706 1.00 0.00 C ATOM 1104 CD1 ILE A 75 0.171 -0.134 1.623 1.00 0.00 C ATOM 0 H ILE A 75 -2.938 -1.868 3.157 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.974 0.736 4.176 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.595 -0.294 1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.602 0.430 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.016 -1.200 3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.402 1.820 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.113 2.096 1.321 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.852 2.392 2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.107 -0.499 2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.117 -0.764 0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.303 0.892 1.279 1.00 0.00 H new ATOM 1116 N VAL A 76 -5.385 0.135 1.976 1.00 0.00 N ATOM 1117 CA VAL A 76 -6.669 0.660 1.506 1.00 0.00 C ATOM 1118 C VAL A 76 -7.626 0.905 2.670 1.00 0.00 C ATOM 1119 O VAL A 76 -8.346 1.902 2.692 1.00 0.00 O ATOM 1120 CB VAL A 76 -7.360 -0.266 0.471 1.00 0.00 C ATOM 1121 CG1 VAL A 76 -6.878 0.048 -0.938 1.00 0.00 C ATOM 1122 CG2 VAL A 76 -7.123 -1.733 0.800 1.00 0.00 C ATOM 0 H VAL A 76 -5.117 -0.763 1.573 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.437 1.604 1.012 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.433 -0.078 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.375 -0.613 -1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.113 1.084 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.800 -0.102 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.619 -2.357 0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.053 -1.940 0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.527 -1.954 1.788 1.00 0.00 H new ATOM 1132 N ASN A 77 -7.631 -0.010 3.633 1.00 0.00 N ATOM 1133 CA ASN A 77 -8.506 0.106 4.796 1.00 0.00 C ATOM 1134 C ASN A 77 -8.183 1.347 5.631 1.00 0.00 C ATOM 1135 O ASN A 77 -9.060 2.162 5.915 1.00 0.00 O ATOM 1136 CB ASN A 77 -8.383 -1.144 5.674 1.00 0.00 C ATOM 1137 CG ASN A 77 -8.825 -2.427 4.976 1.00 0.00 C ATOM 1138 OD1 ASN A 77 -8.712 -3.513 5.545 1.00 0.00 O ATOM 1139 ND2 ASN A 77 -9.338 -2.319 3.751 1.00 0.00 N ATOM 0 H ASN A 77 -7.039 -0.841 3.632 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.527 0.202 4.427 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.347 -1.253 5.994 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.981 -1.006 6.574 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.652 -3.153 3.254 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.417 -1.403 3.310 1.00 0.00 H new ATOM 1146 N LYS A 78 -6.924 1.469 6.038 1.00 0.00 N ATOM 1147 CA LYS A 78 -6.482 2.592 6.862 1.00 0.00 C ATOM 1148 C LYS A 78 -6.373 3.889 6.063 1.00 0.00 C ATOM 1149 O LYS A 78 -6.711 4.964 6.560 1.00 0.00 O ATOM 1150 CB LYS A 78 -5.127 2.271 7.485 1.00 0.00 C ATOM 1151 CG LYS A 78 -5.141 1.037 8.372 1.00 0.00 C ATOM 1152 CD LYS A 78 -3.776 0.777 8.986 1.00 0.00 C ATOM 1153 CE LYS A 78 -3.793 -0.451 9.882 1.00 0.00 C ATOM 1154 NZ LYS A 78 -2.460 -0.713 10.492 1.00 0.00 N ATOM 0 H LYS A 78 -6.187 0.801 5.810 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.233 2.740 7.638 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.396 2.128 6.689 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.795 3.127 8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.879 1.165 9.164 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.449 0.170 7.787 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.040 0.641 8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.465 1.647 9.565 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.533 -0.314 10.671 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.103 -1.320 9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.559 -1.412 11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.813 -1.083 9.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.076 0.172 10.880 1.00 0.00 H new ATOM 1168 N ALA A 79 -5.869 3.788 4.842 1.00 0.00 N ATOM 1169 CA ALA A 79 -5.678 4.962 3.995 1.00 0.00 C ATOM 1170 C ALA A 79 -7.000 5.600 3.576 1.00 0.00 C ATOM 1171 O ALA A 79 -7.063 6.811 3.363 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.865 4.591 2.764 1.00 0.00 C ATOM 0 H ALA A 79 -5.584 2.907 4.413 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.136 5.701 4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.728 5.473 2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.891 4.210 3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.392 3.823 2.198 1.00 0.00 H new ATOM 1178 N GLY A 80 -8.052 4.797 3.457 1.00 0.00 N ATOM 1179 CA GLY A 80 -9.338 5.345 3.061 1.00 0.00 C ATOM 1180 C GLY A 80 -10.202 4.355 2.320 1.00 0.00 C ATOM 1181 O GLY A 80 -11.371 4.155 2.651 1.00 0.00 O ATOM 0 H GLY A 80 -8.040 3.791 3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.869 5.688 3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.175 6.219 2.430 1.00 0.00 H new ATOM 1185 N LEU A 81 -9.622 3.754 1.297 1.00 0.00 N ATOM 1186 CA LEU A 81 -10.319 2.792 0.462 1.00 0.00 C ATOM 1187 C LEU A 81 -10.723 1.556 1.258 1.00 0.00 C ATOM 1188 O LEU A 81 -10.991 0.512 0.631 1.00 0.00 O ATOM 1189 CB LEU A 81 -9.413 2.411 -0.705 1.00 0.00 C ATOM 1190 CG LEU A 81 -8.815 3.608 -1.450 1.00 0.00 C ATOM 1191 CD1 LEU A 81 -7.652 3.168 -2.328 1.00 0.00 C ATOM 1192 CD2 LEU A 81 -9.879 4.296 -2.291 1.00 0.00 C ATOM 1193 OXT LEU A 81 -10.774 1.644 2.503 1.00 0.00 O ATOM 0 H LEU A 81 -8.654 3.919 1.021 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.237 3.243 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.601 1.787 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.982 1.806 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.441 4.317 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.241 4.033 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.878 2.717 -1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.003 2.438 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.437 5.144 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.280 3.590 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.683 4.647 -1.644 1.00 0.00 H new TER 1205 LEU A 81