USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 488 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 37 ASN : amide:sc= 0.0234 K(o=0.038,f=-20!) USER MOD Set 1.2: A 38 LYS NZ :NH3+ 175:sc= 0.0144! (180deg=-0.954) USER MOD Set 2.1: A 17 GLN : amide:sc= -4.82! C(o=-7!,f=-24!) USER MOD Set 2.2: A 32 ASN : amide:sc= -2.19! C(o=-7!,f=-18!) USER MOD Set 3.1: A 5 ASN : amide:sc= -3.02 K(o=-9.3,f=-25!) USER MOD Set 3.2: A 40 ASN : amide:sc= -6.27! C(o=-9.3!,f=-22!) USER MOD Single : A 7 LYS NZ :NH3+ -146:sc= 0.417! (180deg=-2.48!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -133:sc= -0.36 (180deg=-2.15!) USER MOD Single : A 14 LYS NZ :NH3+ -144:sc= 0.236 (180deg=-1.97!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0893 USER MOD Single : A 27 SER OG : rot 180:sc= 0.00687 USER MOD Single : A 29 GLN : amide:sc= -0.0415 K(o=-0.041,f=-1.4!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00337 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= -0.127 (180deg=-0.769) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -1.07 K(o=-1.1,f=-4.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 4.673 4.756 -4.352 1.00 0.00 N ATOM 71 CA ASN A 5 4.402 4.500 -2.957 1.00 0.00 C ATOM 72 C ASN A 5 3.836 3.104 -2.785 1.00 0.00 C ATOM 73 O ASN A 5 3.493 2.436 -3.770 1.00 0.00 O ATOM 74 CB ASN A 5 3.425 5.546 -2.418 1.00 0.00 C ATOM 75 CG ASN A 5 2.188 5.587 -3.299 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.356 4.678 -3.244 1.00 0.00 O ATOM 77 ND2 ASN A 5 2.026 6.567 -4.137 1.00 0.00 N ATOM 0 HA ASN A 5 5.332 4.567 -2.393 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.146 5.304 -1.393 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.901 6.526 -2.396 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.211 6.585 -4.750 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.714 7.318 -4.182 1.00 0.00 H new ATOM 84 N LEU A 6 3.691 2.683 -1.540 1.00 0.00 N ATOM 85 CA LEU A 6 3.184 1.351 -1.236 1.00 0.00 C ATOM 86 C LEU A 6 1.803 1.189 -1.831 1.00 0.00 C ATOM 87 O LEU A 6 1.476 0.148 -2.400 1.00 0.00 O ATOM 88 CB LEU A 6 3.147 1.131 0.292 1.00 0.00 C ATOM 89 CG LEU A 6 2.765 -0.327 0.653 1.00 0.00 C ATOM 90 CD1 LEU A 6 1.252 -0.537 0.530 1.00 0.00 C ATOM 91 CD2 LEU A 6 3.503 -1.322 -0.251 1.00 0.00 C ATOM 0 H LEU A 6 3.917 3.245 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 6 3.847 0.603 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.122 1.367 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.429 1.817 0.741 1.00 0.00 H new ATOM 0 HG LEU A 6 3.062 -0.504 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.005 -1.567 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.734 0.141 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.939 -0.334 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.220 -2.339 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.236 -1.136 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.579 -1.199 -0.125 1.00 0.00 H new ATOM 103 N LYS A 7 1.013 2.242 -1.759 1.00 0.00 N ATOM 104 CA LYS A 7 -0.307 2.218 -2.347 1.00 0.00 C ATOM 105 C LYS A 7 -0.218 1.859 -3.829 1.00 0.00 C ATOM 106 O LYS A 7 -0.959 0.997 -4.304 1.00 0.00 O ATOM 107 CB LYS A 7 -0.999 3.578 -2.131 1.00 0.00 C ATOM 108 CG LYS A 7 -1.501 4.179 -3.454 1.00 0.00 C ATOM 109 CD LYS A 7 -2.179 5.517 -3.174 1.00 0.00 C ATOM 110 CE LYS A 7 -1.119 6.560 -2.793 1.00 0.00 C ATOM 111 NZ LYS A 7 -1.770 7.859 -2.538 1.00 0.00 N ATOM 0 H LYS A 7 1.262 3.119 -1.302 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.910 1.452 -1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.838 3.454 -1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.302 4.270 -1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.668 4.317 -4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.202 3.496 -3.934 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.730 5.848 -4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.903 5.408 -2.367 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.576 6.234 -1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.388 6.660 -3.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.140 8.629 -2.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.662 7.911 -3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.967 7.955 -1.521 1.00 0.00 H new ATOM 125 N LEU A 8 0.703 2.505 -4.535 1.00 0.00 N ATOM 126 CA LEU A 8 0.936 2.225 -5.954 1.00 0.00 C ATOM 127 C LEU A 8 1.482 0.821 -6.156 1.00 0.00 C ATOM 128 O LEU A 8 1.136 0.133 -7.117 1.00 0.00 O ATOM 129 CB LEU A 8 1.874 3.255 -6.588 1.00 0.00 C ATOM 130 CG LEU A 8 1.181 4.623 -6.647 1.00 0.00 C ATOM 131 CD1 LEU A 8 2.162 5.672 -7.168 1.00 0.00 C ATOM 132 CD2 LEU A 8 -0.033 4.556 -7.579 1.00 0.00 C ATOM 0 H LEU A 8 1.306 3.231 -4.148 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.030 2.296 -6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.794 3.328 -6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.154 2.936 -7.592 1.00 0.00 H new ATOM 0 HG LEU A 8 0.850 4.896 -5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.668 6.643 -7.209 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.021 5.730 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.497 5.392 -8.167 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.519 5.531 -7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.292 4.276 -8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.738 3.813 -7.206 1.00 0.00 H new ATOM 144 N ILE A 9 2.353 0.395 -5.268 1.00 0.00 N ATOM 145 CA ILE A 9 2.943 -0.924 -5.405 1.00 0.00 C ATOM 146 C ILE A 9 1.845 -1.980 -5.478 1.00 0.00 C ATOM 147 O ILE A 9 2.031 -3.040 -6.073 1.00 0.00 O ATOM 148 CB ILE A 9 3.913 -1.216 -4.242 1.00 0.00 C ATOM 149 CG1 ILE A 9 5.123 -0.273 -4.321 1.00 0.00 C ATOM 150 CG2 ILE A 9 4.411 -2.666 -4.320 1.00 0.00 C ATOM 151 CD1 ILE A 9 5.984 -0.620 -5.547 1.00 0.00 C ATOM 0 H ILE A 9 2.666 0.929 -4.457 1.00 0.00 H new ATOM 0 HA ILE A 9 3.518 -0.955 -6.330 1.00 0.00 H new ATOM 0 HB ILE A 9 3.383 -1.061 -3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.784 0.761 -4.386 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.719 -0.357 -3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.095 -2.861 -3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.562 -3.346 -4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.930 -2.822 -5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.839 0.054 -5.594 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.337 -1.648 -5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.387 -0.513 -6.453 1.00 0.00 H new ATOM 163 N ARG A 10 0.694 -1.671 -4.908 1.00 0.00 N ATOM 164 CA ARG A 10 -0.426 -2.597 -4.917 1.00 0.00 C ATOM 165 C ARG A 10 -0.854 -2.877 -6.354 1.00 0.00 C ATOM 166 O ARG A 10 -1.046 -4.035 -6.741 1.00 0.00 O ATOM 167 CB ARG A 10 -1.596 -1.983 -4.163 1.00 0.00 C ATOM 168 CG ARG A 10 -1.198 -1.783 -2.700 1.00 0.00 C ATOM 169 CD ARG A 10 -2.345 -1.116 -1.953 1.00 0.00 C ATOM 170 NE ARG A 10 -2.624 0.195 -2.532 1.00 0.00 N ATOM 171 CZ ARG A 10 -3.593 0.971 -2.059 1.00 0.00 C ATOM 172 NH1 ARG A 10 -4.222 0.635 -0.958 1.00 0.00 N ATOM 173 NH2 ARG A 10 -3.898 2.065 -2.677 1.00 0.00 N ATOM 0 H ARG A 10 0.510 -0.787 -4.433 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.123 -3.528 -4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.873 -1.029 -4.611 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.469 -2.632 -4.230 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.960 -2.743 -2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.301 -1.168 -2.636 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.236 -1.742 -2.004 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.090 -1.010 -0.899 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.062 0.523 -3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.967 -0.221 -0.466 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.966 1.230 -0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.395 2.329 -3.524 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.641 2.664 -2.317 1.00 0.00 H new ATOM 187 N GLU A 11 -0.913 -1.824 -7.172 1.00 0.00 N ATOM 188 CA GLU A 11 -1.232 -2.001 -8.581 1.00 0.00 C ATOM 189 C GLU A 11 -0.102 -2.752 -9.242 1.00 0.00 C ATOM 190 O GLU A 11 -0.315 -3.675 -10.031 1.00 0.00 O ATOM 191 CB GLU A 11 -1.426 -0.647 -9.300 1.00 0.00 C ATOM 192 CG GLU A 11 -1.662 0.486 -8.297 1.00 0.00 C ATOM 193 CD GLU A 11 -2.223 1.690 -9.016 1.00 0.00 C ATOM 194 OE1 GLU A 11 -1.471 2.346 -9.706 1.00 0.00 O ATOM 195 OE2 GLU A 11 -3.397 1.941 -8.881 1.00 0.00 O ATOM 0 H GLU A 11 -0.747 -0.859 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.167 -2.556 -8.653 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.546 -0.424 -9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.273 -0.713 -9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.353 0.159 -7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.727 0.748 -7.802 1.00 0.00 H new ATOM 202 N LYS A 12 1.106 -2.360 -8.895 1.00 0.00 N ATOM 203 CA LYS A 12 2.294 -2.961 -9.452 1.00 0.00 C ATOM 204 C LYS A 12 2.333 -4.426 -9.067 1.00 0.00 C ATOM 205 O LYS A 12 2.588 -5.297 -9.901 1.00 0.00 O ATOM 206 CB LYS A 12 3.517 -2.242 -8.896 1.00 0.00 C ATOM 207 CG LYS A 12 3.468 -0.803 -9.393 1.00 0.00 C ATOM 208 CD LYS A 12 4.673 -0.016 -8.900 1.00 0.00 C ATOM 209 CE LYS A 12 4.526 1.418 -9.396 1.00 0.00 C ATOM 210 NZ LYS A 12 5.711 2.222 -8.999 1.00 0.00 N ATOM 0 H LYS A 12 1.289 -1.617 -8.220 1.00 0.00 H new ATOM 0 HA LYS A 12 2.288 -2.876 -10.539 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.516 -2.271 -7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.433 -2.731 -9.228 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.442 -0.791 -10.483 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.551 -0.326 -9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.726 -0.040 -7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.597 -0.457 -9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.419 1.426 -10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.621 1.863 -8.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.600 3.197 -9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.795 2.227 -7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.568 1.805 -9.414 1.00 0.00 H new ATOM 224 N LYS A 13 1.980 -4.696 -7.821 1.00 0.00 N ATOM 225 CA LYS A 13 1.875 -6.051 -7.314 1.00 0.00 C ATOM 226 C LYS A 13 0.594 -6.707 -7.847 1.00 0.00 C ATOM 227 O LYS A 13 0.292 -7.864 -7.522 1.00 0.00 O ATOM 228 CB LYS A 13 1.916 -6.054 -5.772 1.00 0.00 C ATOM 229 CG LYS A 13 2.438 -7.413 -5.261 1.00 0.00 C ATOM 230 CD LYS A 13 3.967 -7.354 -5.030 1.00 0.00 C ATOM 231 CE LYS A 13 4.695 -8.074 -6.184 1.00 0.00 C ATOM 232 NZ LYS A 13 5.167 -7.082 -7.185 1.00 0.00 N ATOM 0 H LYS A 13 1.758 -3.978 -7.132 1.00 0.00 H new ATOM 0 HA LYS A 13 2.726 -6.635 -7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.560 -5.250 -5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.919 -5.864 -5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.934 -7.677 -4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.203 -8.194 -5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.296 -6.316 -4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.219 -7.823 -4.079 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.541 -8.640 -5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.024 -8.790 -6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.915 -7.406 -8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.717 -6.162 -7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.200 -6.982 -7.115 1.00 0.00 H new ATOM 246 N LYS A 14 -0.153 -5.938 -8.656 1.00 0.00 N ATOM 247 CA LYS A 14 -1.419 -6.363 -9.265 1.00 0.00 C ATOM 248 C LYS A 14 -2.426 -6.851 -8.230 1.00 0.00 C ATOM 249 O LYS A 14 -3.125 -7.859 -8.432 1.00 0.00 O ATOM 250 CB LYS A 14 -1.203 -7.382 -10.418 1.00 0.00 C ATOM 251 CG LYS A 14 -0.918 -8.794 -9.877 1.00 0.00 C ATOM 252 CD LYS A 14 0.556 -9.151 -10.096 1.00 0.00 C ATOM 253 CE LYS A 14 0.889 -10.422 -9.310 1.00 0.00 C ATOM 254 NZ LYS A 14 0.427 -10.262 -7.904 1.00 0.00 N ATOM 0 H LYS A 14 0.113 -4.986 -8.908 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.860 -5.476 -9.720 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.088 -7.407 -11.054 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.371 -7.056 -11.042 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.158 -8.841 -8.815 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.556 -9.521 -10.380 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.752 -9.304 -11.157 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.194 -8.330 -9.769 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.406 -11.285 -9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.963 -10.608 -9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.099 -10.729 -7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.371 -9.250 -7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.512 -10.695 -7.796 1.00 0.00 H new ATOM 268 N ILE A 15 -2.542 -6.101 -7.153 1.00 0.00 N ATOM 269 CA ILE A 15 -3.501 -6.410 -6.112 1.00 0.00 C ATOM 270 C ILE A 15 -4.390 -5.202 -5.824 1.00 0.00 C ATOM 271 O ILE A 15 -4.029 -4.060 -6.146 1.00 0.00 O ATOM 272 CB ILE A 15 -2.777 -6.911 -4.854 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.798 -5.847 -4.361 1.00 0.00 C ATOM 274 CG2 ILE A 15 -2.000 -8.197 -5.175 1.00 0.00 C ATOM 275 CD1 ILE A 15 -1.166 -6.314 -3.060 1.00 0.00 C ATOM 0 H ILE A 15 -1.980 -5.268 -6.975 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.154 -7.213 -6.455 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.517 -7.115 -4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.027 -5.670 -5.111 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.317 -4.901 -4.208 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.489 -8.547 -4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.693 -8.964 -5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.266 -7.994 -5.955 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.466 -5.558 -2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.944 -6.469 -2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.634 -7.250 -3.229 1.00 0.00 H new ATOM 287 N SER A 16 -5.602 -5.470 -5.372 1.00 0.00 N ATOM 288 CA SER A 16 -6.612 -4.430 -5.201 1.00 0.00 C ATOM 289 C SER A 16 -6.609 -3.801 -3.809 1.00 0.00 C ATOM 290 O SER A 16 -5.966 -4.298 -2.880 1.00 0.00 O ATOM 291 CB SER A 16 -8.000 -4.948 -5.576 1.00 0.00 C ATOM 292 OG SER A 16 -8.151 -4.877 -6.994 1.00 0.00 O ATOM 0 H SER A 16 -5.916 -6.405 -5.114 1.00 0.00 H new ATOM 0 HA SER A 16 -6.343 -3.628 -5.889 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.124 -5.976 -5.234 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.770 -4.353 -5.084 1.00 0.00 H new ATOM 0 HG SER A 16 -9.038 -5.209 -7.246 1.00 0.00 H new ATOM 298 N GLN A 17 -7.319 -2.679 -3.688 1.00 0.00 N ATOM 299 CA GLN A 17 -7.374 -1.923 -2.443 1.00 0.00 C ATOM 300 C GLN A 17 -7.948 -2.790 -1.331 1.00 0.00 C ATOM 301 O GLN A 17 -7.380 -2.889 -0.239 1.00 0.00 O ATOM 302 CB GLN A 17 -8.295 -0.706 -2.635 1.00 0.00 C ATOM 303 CG GLN A 17 -7.826 0.144 -3.827 1.00 0.00 C ATOM 304 CD GLN A 17 -6.444 0.707 -3.576 1.00 0.00 C ATOM 305 OE1 GLN A 17 -6.249 1.476 -2.632 1.00 0.00 O ATOM 306 NE2 GLN A 17 -5.466 0.365 -4.352 1.00 0.00 N ATOM 0 H GLN A 17 -7.868 -2.273 -4.446 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.366 -1.604 -2.176 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.319 -1.041 -2.800 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.300 -0.100 -1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.817 -0.464 -4.732 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.530 0.959 -3.998 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.632 -0.271 -5.132 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.529 0.732 -4.184 1.00 0.00 H new ATOM 315 N SER A 18 -9.056 -3.439 -1.634 1.00 0.00 N ATOM 316 CA SER A 18 -9.726 -4.313 -0.694 1.00 0.00 C ATOM 317 C SER A 18 -8.880 -5.523 -0.369 1.00 0.00 C ATOM 318 O SER A 18 -8.936 -6.039 0.734 1.00 0.00 O ATOM 319 CB SER A 18 -11.081 -4.738 -1.251 1.00 0.00 C ATOM 320 OG SER A 18 -10.977 -4.877 -2.670 1.00 0.00 O ATOM 0 H SER A 18 -9.517 -3.374 -2.542 1.00 0.00 H new ATOM 0 HA SER A 18 -9.882 -3.762 0.233 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.394 -5.681 -0.802 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.841 -3.998 -1.000 1.00 0.00 H new ATOM 0 HG SER A 18 -11.844 -5.152 -3.036 1.00 0.00 H new ATOM 326 N GLU A 19 -8.103 -5.979 -1.337 1.00 0.00 N ATOM 327 CA GLU A 19 -7.289 -7.163 -1.138 1.00 0.00 C ATOM 328 C GLU A 19 -6.295 -6.938 -0.006 1.00 0.00 C ATOM 329 O GLU A 19 -6.201 -7.751 0.914 1.00 0.00 O ATOM 330 CB GLU A 19 -6.561 -7.522 -2.434 1.00 0.00 C ATOM 331 CG GLU A 19 -7.590 -8.003 -3.474 1.00 0.00 C ATOM 332 CD GLU A 19 -6.938 -8.273 -4.825 1.00 0.00 C ATOM 333 OE1 GLU A 19 -5.757 -8.047 -4.954 1.00 0.00 O ATOM 334 OE2 GLU A 19 -7.635 -8.696 -5.716 1.00 0.00 O ATOM 0 H GLU A 19 -8.020 -5.551 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.937 -7.995 -0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.020 -6.655 -2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.823 -8.302 -2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.074 -8.911 -3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.370 -7.251 -3.590 1.00 0.00 H new ATOM 341 N LEU A 20 -5.633 -5.792 -0.012 1.00 0.00 N ATOM 342 CA LEU A 20 -4.759 -5.444 1.104 1.00 0.00 C ATOM 343 C LEU A 20 -5.577 -5.266 2.367 1.00 0.00 C ATOM 344 O LEU A 20 -5.195 -5.708 3.444 1.00 0.00 O ATOM 345 CB LEU A 20 -3.988 -4.159 0.813 1.00 0.00 C ATOM 346 CG LEU A 20 -2.789 -4.481 -0.078 1.00 0.00 C ATOM 347 CD1 LEU A 20 -3.198 -4.387 -1.550 1.00 0.00 C ATOM 348 CD2 LEU A 20 -1.657 -3.497 0.220 1.00 0.00 C ATOM 0 H LEU A 20 -5.679 -5.098 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.045 -6.256 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.637 -3.435 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.652 -3.704 1.745 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.444 -5.495 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.340 -4.617 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.998 -5.099 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.547 -3.378 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.800 -3.725 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.996 -2.481 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.366 -3.583 1.267 1.00 0.00 H new ATOM 360 N ALA A 21 -6.702 -4.596 2.224 1.00 0.00 N ATOM 361 CA ALA A 21 -7.577 -4.330 3.345 1.00 0.00 C ATOM 362 C ALA A 21 -8.138 -5.627 3.895 1.00 0.00 C ATOM 363 O ALA A 21 -8.279 -5.795 5.110 1.00 0.00 O ATOM 364 CB ALA A 21 -8.702 -3.399 2.923 1.00 0.00 C ATOM 0 H ALA A 21 -7.033 -4.223 1.334 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.001 -3.843 4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.354 -3.206 3.775 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.282 -2.458 2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.278 -3.864 2.123 1.00 0.00 H new ATOM 370 N ALA A 22 -8.422 -6.552 2.996 1.00 0.00 N ATOM 371 CA ALA A 22 -8.938 -7.852 3.364 1.00 0.00 C ATOM 372 C ALA A 22 -7.985 -8.522 4.322 1.00 0.00 C ATOM 373 O ALA A 22 -8.409 -9.216 5.242 1.00 0.00 O ATOM 374 CB ALA A 22 -9.125 -8.725 2.121 1.00 0.00 C ATOM 0 H ALA A 22 -8.301 -6.420 1.992 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.907 -7.723 3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.514 -9.700 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.828 -8.244 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.166 -8.854 1.619 1.00 0.00 H new ATOM 380 N LEU A 23 -6.700 -8.263 4.142 1.00 0.00 N ATOM 381 CA LEU A 23 -5.694 -8.801 5.038 1.00 0.00 C ATOM 382 C LEU A 23 -5.918 -8.251 6.436 1.00 0.00 C ATOM 383 O LEU A 23 -5.771 -8.968 7.430 1.00 0.00 O ATOM 384 CB LEU A 23 -4.284 -8.440 4.558 1.00 0.00 C ATOM 385 CG LEU A 23 -3.974 -9.161 3.235 1.00 0.00 C ATOM 386 CD1 LEU A 23 -2.642 -8.661 2.684 1.00 0.00 C ATOM 387 CD2 LEU A 23 -3.886 -10.671 3.468 1.00 0.00 C ATOM 0 H LEU A 23 -6.332 -7.686 3.386 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.783 -9.887 5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.203 -7.362 4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.551 -8.721 5.314 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.772 -8.953 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.421 -9.171 1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.701 -7.587 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.850 -8.867 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.666 -11.172 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.093 -10.883 4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.836 -11.035 3.860 1.00 0.00 H new ATOM 399 N LEU A 24 -6.275 -6.976 6.514 1.00 0.00 N ATOM 400 CA LEU A 24 -6.517 -6.342 7.804 1.00 0.00 C ATOM 401 C LEU A 24 -7.839 -6.844 8.371 1.00 0.00 C ATOM 402 O LEU A 24 -7.998 -6.966 9.591 1.00 0.00 O ATOM 403 CB LEU A 24 -6.582 -4.816 7.657 1.00 0.00 C ATOM 404 CG LEU A 24 -5.327 -4.286 6.944 1.00 0.00 C ATOM 405 CD1 LEU A 24 -5.414 -2.768 6.802 1.00 0.00 C ATOM 406 CD2 LEU A 24 -4.061 -4.662 7.722 1.00 0.00 C ATOM 0 H LEU A 24 -6.403 -6.365 5.708 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.696 -6.596 8.475 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.472 -4.537 7.093 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.670 -4.354 8.640 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.274 -4.741 5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.522 -2.398 6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.297 -2.507 6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.485 -2.314 7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.185 -4.277 7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.106 -4.230 8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.990 -5.747 7.799 1.00 0.00 H new ATOM 418 N GLU A 25 -8.770 -7.177 7.477 1.00 0.00 N ATOM 419 CA GLU A 25 -10.086 -7.700 7.861 1.00 0.00 C ATOM 420 C GLU A 25 -10.877 -6.636 8.620 1.00 0.00 C ATOM 421 O GLU A 25 -11.706 -6.956 9.480 1.00 0.00 O ATOM 422 CB GLU A 25 -9.926 -8.940 8.748 1.00 0.00 C ATOM 423 CG GLU A 25 -9.229 -10.062 7.967 1.00 0.00 C ATOM 424 CD GLU A 25 -8.974 -11.259 8.868 1.00 0.00 C ATOM 425 OE1 GLU A 25 -9.263 -11.172 10.044 1.00 0.00 O ATOM 426 OE2 GLU A 25 -8.486 -12.238 8.377 1.00 0.00 O ATOM 0 H GLU A 25 -8.636 -7.093 6.469 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.625 -7.972 6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.345 -8.689 9.635 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.903 -9.279 9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.847 -10.362 7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.286 -9.698 7.560 1.00 0.00 H new ATOM 433 N VAL A 26 -10.598 -5.386 8.327 1.00 0.00 N ATOM 434 CA VAL A 26 -11.241 -4.273 9.008 1.00 0.00 C ATOM 435 C VAL A 26 -11.728 -3.224 8.021 1.00 0.00 C ATOM 436 O VAL A 26 -11.328 -3.219 6.854 1.00 0.00 O ATOM 437 CB VAL A 26 -10.287 -3.651 10.042 1.00 0.00 C ATOM 438 CG1 VAL A 26 -10.312 -4.485 11.325 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.860 -3.653 9.484 1.00 0.00 C ATOM 0 H VAL A 26 -9.923 -5.108 7.614 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.115 -4.661 9.532 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.604 -2.630 10.255 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.636 -4.045 12.058 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.324 -4.501 11.729 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.993 -5.503 11.103 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.183 -3.212 10.216 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.552 -4.678 9.275 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.828 -3.070 8.563 1.00 0.00 H new ATOM 449 N SER A 27 -12.552 -2.316 8.516 1.00 0.00 N ATOM 450 CA SER A 27 -13.096 -1.221 7.721 1.00 0.00 C ATOM 451 C SER A 27 -11.997 -0.458 6.988 1.00 0.00 C ATOM 452 O SER A 27 -12.276 0.349 6.093 1.00 0.00 O ATOM 453 CB SER A 27 -13.922 -0.275 8.600 1.00 0.00 C ATOM 454 OG SER A 27 -13.246 -0.038 9.840 1.00 0.00 O ATOM 0 H SER A 27 -12.866 -2.315 9.486 1.00 0.00 H new ATOM 0 HA SER A 27 -13.752 -1.655 6.966 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.084 0.669 8.079 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.904 -0.707 8.790 1.00 0.00 H new ATOM 0 HG SER A 27 -13.781 0.569 10.393 1.00 0.00 H new ATOM 460 N ARG A 28 -10.748 -0.697 7.388 1.00 0.00 N ATOM 461 CA ARG A 28 -9.598 -0.027 6.794 1.00 0.00 C ATOM 462 C ARG A 28 -9.777 0.066 5.281 1.00 0.00 C ATOM 463 O ARG A 28 -9.347 1.033 4.648 1.00 0.00 O ATOM 464 CB ARG A 28 -8.294 -0.793 7.111 1.00 0.00 C ATOM 465 CG ARG A 28 -7.257 0.178 7.691 1.00 0.00 C ATOM 466 CD ARG A 28 -7.666 0.576 9.119 1.00 0.00 C ATOM 467 NE ARG A 28 -7.536 -0.560 10.039 1.00 0.00 N ATOM 468 CZ ARG A 28 -8.350 -0.721 11.097 1.00 0.00 C ATOM 469 NH1 ARG A 28 -9.338 0.108 11.296 1.00 0.00 N ATOM 470 NH2 ARG A 28 -8.155 -1.717 11.920 1.00 0.00 N ATOM 0 H ARG A 28 -10.509 -1.357 8.128 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.528 0.975 7.218 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.494 -1.595 7.822 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.905 -1.259 6.206 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.272 -0.289 7.701 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.183 1.065 7.062 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.042 1.401 9.463 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.696 0.933 9.120 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.804 -1.250 9.870 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.494 0.880 10.648 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.954 -0.016 12.099 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.387 -2.369 11.759 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.770 -1.842 12.724 1.00 0.00 H new ATOM 484 N GLN A 29 -10.436 -0.936 4.714 1.00 0.00 N ATOM 485 CA GLN A 29 -10.679 -0.964 3.276 1.00 0.00 C ATOM 486 C GLN A 29 -11.381 0.314 2.836 1.00 0.00 C ATOM 487 O GLN A 29 -11.032 0.908 1.815 1.00 0.00 O ATOM 488 CB GLN A 29 -11.546 -2.184 2.875 1.00 0.00 C ATOM 489 CG GLN A 29 -11.603 -3.223 4.012 1.00 0.00 C ATOM 490 CD GLN A 29 -12.152 -4.547 3.490 1.00 0.00 C ATOM 491 OE1 GLN A 29 -11.870 -4.935 2.354 1.00 0.00 O ATOM 492 NE2 GLN A 29 -12.912 -5.272 4.251 1.00 0.00 N ATOM 0 H GLN A 29 -10.810 -1.736 5.224 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.712 -1.044 2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.555 -1.852 2.631 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.136 -2.646 1.977 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.607 -3.373 4.428 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.233 -2.853 4.821 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.146 -4.952 5.191 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.275 -6.162 3.910 1.00 0.00 H new ATOM 501 N THR A 30 -12.374 0.719 3.596 1.00 0.00 N ATOM 502 CA THR A 30 -13.145 1.897 3.267 1.00 0.00 C ATOM 503 C THR A 30 -12.283 3.166 3.328 1.00 0.00 C ATOM 504 O THR A 30 -12.268 3.957 2.387 1.00 0.00 O ATOM 505 CB THR A 30 -14.336 2.002 4.221 1.00 0.00 C ATOM 506 OG1 THR A 30 -14.943 0.716 4.328 1.00 0.00 O ATOM 507 CG2 THR A 30 -15.367 2.988 3.658 1.00 0.00 C ATOM 0 H THR A 30 -12.668 0.247 4.451 1.00 0.00 H new ATOM 0 HA THR A 30 -13.508 1.805 2.243 1.00 0.00 H new ATOM 0 HB THR A 30 -13.996 2.351 5.196 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.708 0.765 4.938 1.00 0.00 H new ATOM 0 HG21 THR A 30 -16.213 3.059 4.341 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.908 3.970 3.546 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.714 2.636 2.686 1.00 0.00 H new ATOM 515 N ILE A 31 -11.532 3.333 4.412 1.00 0.00 N ATOM 516 CA ILE A 31 -10.712 4.534 4.586 1.00 0.00 C ATOM 517 C ILE A 31 -9.499 4.524 3.665 1.00 0.00 C ATOM 518 O ILE A 31 -8.975 5.580 3.296 1.00 0.00 O ATOM 519 CB ILE A 31 -10.286 4.708 6.052 1.00 0.00 C ATOM 520 CG1 ILE A 31 -9.467 3.502 6.510 1.00 0.00 C ATOM 521 CG2 ILE A 31 -11.528 4.829 6.940 1.00 0.00 C ATOM 522 CD1 ILE A 31 -8.897 3.776 7.908 1.00 0.00 C ATOM 0 H ILE A 31 -11.472 2.662 5.178 1.00 0.00 H new ATOM 0 HA ILE A 31 -11.328 5.390 4.309 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.681 5.611 6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.092 2.609 6.528 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -8.657 3.310 5.806 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -11.222 4.952 7.979 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -12.114 5.694 6.629 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -12.133 3.927 6.845 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.312 2.917 8.237 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.258 4.658 7.874 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.715 3.947 8.607 1.00 0.00 H new ATOM 534 N ASN A 32 -9.141 3.345 3.190 1.00 0.00 N ATOM 535 CA ASN A 32 -8.059 3.226 2.229 1.00 0.00 C ATOM 536 C ASN A 32 -8.368 4.051 1.003 1.00 0.00 C ATOM 537 O ASN A 32 -7.483 4.675 0.435 1.00 0.00 O ATOM 538 CB ASN A 32 -7.839 1.764 1.825 1.00 0.00 C ATOM 539 CG ASN A 32 -6.965 1.698 0.571 1.00 0.00 C ATOM 540 OD1 ASN A 32 -5.726 1.722 0.647 1.00 0.00 O ATOM 541 ND2 ASN A 32 -7.536 1.633 -0.586 1.00 0.00 N ATOM 0 H ASN A 32 -9.580 2.462 3.451 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.146 3.594 2.697 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.363 1.220 2.640 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.798 1.281 1.637 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -6.969 1.602 -1.433 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.554 1.613 -0.652 1.00 0.00 H new ATOM 548 N GLY A 33 -9.626 4.046 0.589 1.00 0.00 N ATOM 549 CA GLY A 33 -10.028 4.780 -0.602 1.00 0.00 C ATOM 550 C GLY A 33 -9.645 6.249 -0.489 1.00 0.00 C ATOM 551 O GLY A 33 -8.955 6.788 -1.362 1.00 0.00 O ATOM 0 H GLY A 33 -10.382 3.545 1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.554 4.343 -1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.105 4.691 -0.743 1.00 0.00 H new ATOM 555 N ILE A 34 -10.022 6.885 0.606 1.00 0.00 N ATOM 556 CA ILE A 34 -9.634 8.264 0.818 1.00 0.00 C ATOM 557 C ILE A 34 -8.141 8.371 1.103 1.00 0.00 C ATOM 558 O ILE A 34 -7.460 9.269 0.588 1.00 0.00 O ATOM 559 CB ILE A 34 -10.484 8.939 1.923 1.00 0.00 C ATOM 560 CG1 ILE A 34 -10.256 10.472 1.914 1.00 0.00 C ATOM 561 CG2 ILE A 34 -10.171 8.354 3.309 1.00 0.00 C ATOM 562 CD1 ILE A 34 -9.068 10.862 2.813 1.00 0.00 C ATOM 0 H ILE A 34 -10.587 6.475 1.350 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.834 8.810 -0.104 1.00 0.00 H new ATOM 0 HB ILE A 34 -11.534 8.738 1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.070 10.809 0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.158 10.979 2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.785 8.850 4.061 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.388 7.286 3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.117 8.510 3.540 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.932 11.943 2.787 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.267 10.546 3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.163 10.373 2.452 1.00 0.00 H new ATOM 574 N GLU A 35 -7.625 7.458 1.923 1.00 0.00 N ATOM 575 CA GLU A 35 -6.222 7.514 2.274 1.00 0.00 C ATOM 576 C GLU A 35 -5.323 7.260 1.083 1.00 0.00 C ATOM 577 O GLU A 35 -4.327 7.957 0.909 1.00 0.00 O ATOM 578 CB GLU A 35 -5.860 6.615 3.467 1.00 0.00 C ATOM 579 CG GLU A 35 -6.483 7.197 4.747 1.00 0.00 C ATOM 580 CD GLU A 35 -6.113 6.380 5.979 1.00 0.00 C ATOM 581 OE1 GLU A 35 -5.261 5.515 5.880 1.00 0.00 O ATOM 582 OE2 GLU A 35 -6.674 6.650 7.015 1.00 0.00 O ATOM 0 H GLU A 35 -8.149 6.691 2.344 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.041 8.538 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.226 5.602 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.777 6.549 3.573 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.148 8.226 4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.568 7.226 4.643 1.00 0.00 H new ATOM 589 N LYS A 36 -5.703 6.323 0.220 1.00 0.00 N ATOM 590 CA LYS A 36 -4.896 6.049 -0.966 1.00 0.00 C ATOM 591 C LYS A 36 -5.025 7.180 -1.974 1.00 0.00 C ATOM 592 O LYS A 36 -4.096 7.459 -2.725 1.00 0.00 O ATOM 593 CB LYS A 36 -5.263 4.697 -1.620 1.00 0.00 C ATOM 594 CG LYS A 36 -6.708 4.729 -2.145 1.00 0.00 C ATOM 595 CD LYS A 36 -6.724 4.661 -3.679 1.00 0.00 C ATOM 596 CE LYS A 36 -8.180 4.699 -4.171 1.00 0.00 C ATOM 597 NZ LYS A 36 -8.221 4.653 -5.655 1.00 0.00 N ATOM 0 H LYS A 36 -6.543 5.753 0.314 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.858 5.981 -0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.576 4.484 -2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.151 3.892 -0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.270 3.891 -1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.203 5.641 -1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.164 5.497 -4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.236 3.748 -4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.733 3.855 -3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.669 5.606 -3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.210 4.679 -5.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.710 5.472 -6.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.772 3.776 -5.988 1.00 0.00 H new ATOM 611 N ASN A 37 -6.157 7.852 -1.965 1.00 0.00 N ATOM 612 CA ASN A 37 -6.363 8.982 -2.861 1.00 0.00 C ATOM 613 C ASN A 37 -5.347 10.076 -2.584 1.00 0.00 C ATOM 614 O ASN A 37 -4.781 10.669 -3.507 1.00 0.00 O ATOM 615 CB ASN A 37 -7.787 9.541 -2.672 1.00 0.00 C ATOM 616 CG ASN A 37 -7.924 10.943 -3.275 1.00 0.00 C ATOM 617 OD1 ASN A 37 -8.611 11.793 -2.707 1.00 0.00 O ATOM 618 ND2 ASN A 37 -7.310 11.249 -4.373 1.00 0.00 N ATOM 0 H ASN A 37 -6.946 7.642 -1.354 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.237 8.639 -3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.507 8.870 -3.140 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.027 9.576 -1.609 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.397 12.188 -4.761 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.739 10.551 -4.850 1.00 0.00 H new ATOM 625 N LYS A 38 -5.177 10.382 -1.318 1.00 0.00 N ATOM 626 CA LYS A 38 -4.315 11.473 -0.899 1.00 0.00 C ATOM 627 C LYS A 38 -2.967 11.012 -0.359 1.00 0.00 C ATOM 628 O LYS A 38 -1.944 11.645 -0.615 1.00 0.00 O ATOM 629 CB LYS A 38 -5.063 12.316 0.119 1.00 0.00 C ATOM 630 CG LYS A 38 -6.113 13.134 -0.636 1.00 0.00 C ATOM 631 CD LYS A 38 -7.392 13.258 0.181 1.00 0.00 C ATOM 632 CE LYS A 38 -8.339 14.238 -0.523 1.00 0.00 C ATOM 633 NZ LYS A 38 -8.254 14.044 -2.000 1.00 0.00 N ATOM 0 H LYS A 38 -5.629 9.886 -0.549 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.074 12.069 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.538 11.681 0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.375 12.974 0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.719 14.126 -0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.332 12.659 -1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.868 12.283 0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.164 13.611 1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.362 14.078 -0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.075 15.264 -0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.957 14.649 -2.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.301 14.300 -2.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.444 13.048 -2.231 1.00 0.00 H new ATOM 647 N TYR A 39 -2.985 9.995 0.478 1.00 0.00 N ATOM 648 CA TYR A 39 -1.780 9.553 1.171 1.00 0.00 C ATOM 649 C TYR A 39 -1.377 8.160 0.717 1.00 0.00 C ATOM 650 O TYR A 39 -2.001 7.573 -0.174 1.00 0.00 O ATOM 651 CB TYR A 39 -2.004 9.544 2.699 1.00 0.00 C ATOM 652 CG TYR A 39 -3.174 10.436 3.071 1.00 0.00 C ATOM 653 CD1 TYR A 39 -3.108 11.822 2.886 1.00 0.00 C ATOM 654 CD2 TYR A 39 -4.329 9.862 3.602 1.00 0.00 C ATOM 655 CE1 TYR A 39 -4.201 12.629 3.236 1.00 0.00 C ATOM 656 CE2 TYR A 39 -5.418 10.662 3.949 1.00 0.00 C ATOM 657 CZ TYR A 39 -5.358 12.042 3.769 1.00 0.00 C ATOM 658 OH TYR A 39 -6.440 12.818 4.122 1.00 0.00 O ATOM 0 H TYR A 39 -3.821 9.454 0.699 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.982 10.254 0.927 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.193 8.526 3.039 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.102 9.887 3.207 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.216 12.270 2.474 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.381 8.793 3.745 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.152 13.699 3.095 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.310 10.210 4.358 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.153 12.245 4.473 1.00 0.00 H new ATOM 668 N ASN A 40 -0.397 7.604 1.394 1.00 0.00 N ATOM 669 CA ASN A 40 0.007 6.224 1.196 1.00 0.00 C ATOM 670 C ASN A 40 -0.458 5.426 2.403 1.00 0.00 C ATOM 671 O ASN A 40 -0.602 5.989 3.489 1.00 0.00 O ATOM 672 CB ASN A 40 1.535 6.128 1.073 1.00 0.00 C ATOM 673 CG ASN A 40 1.965 4.666 1.041 1.00 0.00 C ATOM 674 OD1 ASN A 40 1.965 4.043 -0.022 1.00 0.00 O ATOM 675 ND2 ASN A 40 2.313 4.072 2.138 1.00 0.00 N ATOM 0 H ASN A 40 0.147 8.097 2.102 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.435 5.833 0.280 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.867 6.633 0.166 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.008 6.636 1.913 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.587 3.090 2.121 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.313 4.587 3.019 1.00 0.00 H new ATOM 682 N PRO A 41 -0.691 4.147 2.270 1.00 0.00 N ATOM 683 CA PRO A 41 -1.124 3.362 3.454 1.00 0.00 C ATOM 684 C PRO A 41 -0.090 3.452 4.560 1.00 0.00 C ATOM 685 O PRO A 41 1.115 3.473 4.299 1.00 0.00 O ATOM 686 CB PRO A 41 -1.254 1.935 2.926 1.00 0.00 C ATOM 687 CG PRO A 41 -1.574 2.107 1.479 1.00 0.00 C ATOM 688 CD PRO A 41 -0.836 3.366 1.025 1.00 0.00 C ATOM 0 HA PRO A 41 -2.055 3.725 3.888 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.330 1.373 3.065 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.041 1.388 3.446 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.253 1.239 0.904 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.649 2.210 1.328 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.133 3.127 0.586 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.402 3.913 0.271 1.00 0.00 H new ATOM 696 N SER A 42 -0.563 3.583 5.772 1.00 0.00 N ATOM 697 CA SER A 42 0.309 3.773 6.904 1.00 0.00 C ATOM 698 C SER A 42 1.086 2.506 7.205 1.00 0.00 C ATOM 699 O SER A 42 0.580 1.392 7.017 1.00 0.00 O ATOM 700 CB SER A 42 -0.518 4.202 8.105 1.00 0.00 C ATOM 701 OG SER A 42 -1.445 5.199 7.676 1.00 0.00 O ATOM 0 H SER A 42 -1.556 3.561 6.003 1.00 0.00 H new ATOM 0 HA SER A 42 1.034 4.553 6.672 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.047 3.347 8.527 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.128 4.596 8.890 1.00 0.00 H new ATOM 0 HG SER A 42 -1.990 5.488 8.437 1.00 0.00 H new ATOM 707 N LEU A 43 2.293 2.670 7.709 1.00 0.00 N ATOM 708 CA LEU A 43 3.129 1.532 8.040 1.00 0.00 C ATOM 709 C LEU A 43 2.458 0.682 9.095 1.00 0.00 C ATOM 710 O LEU A 43 2.465 -0.541 9.009 1.00 0.00 O ATOM 711 CB LEU A 43 4.524 1.971 8.506 1.00 0.00 C ATOM 712 CG LEU A 43 5.451 2.221 7.297 1.00 0.00 C ATOM 713 CD1 LEU A 43 5.974 0.888 6.753 1.00 0.00 C ATOM 714 CD2 LEU A 43 4.717 2.982 6.184 1.00 0.00 C ATOM 0 H LEU A 43 2.717 3.578 7.898 1.00 0.00 H new ATOM 0 HA LEU A 43 3.259 0.937 7.136 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.444 2.880 9.103 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.956 1.204 9.149 1.00 0.00 H new ATOM 0 HG LEU A 43 6.289 2.831 7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.627 1.074 5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.534 0.371 7.533 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.134 0.269 6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.395 3.144 5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.859 2.399 5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.376 3.944 6.565 1.00 0.00 H new ATOM 726 N GLN A 44 1.813 1.329 10.047 1.00 0.00 N ATOM 727 CA GLN A 44 1.120 0.601 11.100 1.00 0.00 C ATOM 728 C GLN A 44 0.175 -0.413 10.468 1.00 0.00 C ATOM 729 O GLN A 44 0.191 -1.597 10.815 1.00 0.00 O ATOM 730 CB GLN A 44 0.319 1.581 11.965 1.00 0.00 C ATOM 731 CG GLN A 44 1.282 2.510 12.710 1.00 0.00 C ATOM 732 CD GLN A 44 0.514 3.578 13.483 1.00 0.00 C ATOM 733 OE1 GLN A 44 -0.721 3.545 13.541 1.00 0.00 O ATOM 734 NE2 GLN A 44 1.162 4.530 14.071 1.00 0.00 N ATOM 0 H GLN A 44 1.753 2.345 10.116 1.00 0.00 H new ATOM 0 HA GLN A 44 1.847 0.084 11.726 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.357 2.165 11.340 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.299 1.033 12.677 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.897 1.929 13.397 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.959 2.985 12.000 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.181 4.558 14.024 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.655 5.252 14.582 1.00 0.00 H new ATOM 743 N LEU A 45 -0.551 0.029 9.455 1.00 0.00 N ATOM 744 CA LEU A 45 -1.365 -0.870 8.657 1.00 0.00 C ATOM 745 C LEU A 45 -0.462 -1.803 7.856 1.00 0.00 C ATOM 746 O LEU A 45 -0.755 -2.988 7.684 1.00 0.00 O ATOM 747 CB LEU A 45 -2.262 -0.075 7.700 1.00 0.00 C ATOM 748 CG LEU A 45 -3.262 0.767 8.513 1.00 0.00 C ATOM 749 CD1 LEU A 45 -4.123 1.614 7.574 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.159 -0.142 9.359 1.00 0.00 C ATOM 0 H LEU A 45 -0.593 1.006 9.166 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.997 -1.456 9.324 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.654 0.573 7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.797 -0.755 7.037 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.701 1.426 9.176 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.827 2.205 8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.483 2.280 6.995 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.674 0.961 6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.861 0.467 9.928 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.712 -0.818 8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.544 -0.724 10.045 1.00 0.00 H new ATOM 762 N ALA A 46 0.619 -1.231 7.325 1.00 0.00 N ATOM 763 CA ALA A 46 1.543 -1.956 6.457 1.00 0.00 C ATOM 764 C ALA A 46 2.196 -3.134 7.155 1.00 0.00 C ATOM 765 O ALA A 46 2.488 -4.137 6.518 1.00 0.00 O ATOM 766 CB ALA A 46 2.616 -1.035 5.881 1.00 0.00 C ATOM 0 H ALA A 46 0.877 -0.257 7.484 1.00 0.00 H new ATOM 0 HA ALA A 46 0.938 -2.346 5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.284 -1.611 5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.143 -0.246 5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.188 -0.589 6.695 1.00 0.00 H new ATOM 772 N LEU A 47 2.465 -3.013 8.446 1.00 0.00 N ATOM 773 CA LEU A 47 3.136 -4.106 9.148 1.00 0.00 C ATOM 774 C LEU A 47 2.304 -5.377 9.061 1.00 0.00 C ATOM 775 O LEU A 47 2.819 -6.436 8.712 1.00 0.00 O ATOM 776 CB LEU A 47 3.425 -3.752 10.618 1.00 0.00 C ATOM 777 CG LEU A 47 4.751 -2.967 10.727 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.498 -1.467 10.594 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.400 -3.247 12.083 1.00 0.00 C ATOM 0 H LEU A 47 2.240 -2.199 9.017 1.00 0.00 H new ATOM 0 HA LEU A 47 4.095 -4.273 8.658 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.607 -3.157 11.024 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.483 -4.663 11.214 1.00 0.00 H new ATOM 0 HG LEU A 47 5.413 -3.288 9.923 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.443 -0.930 10.673 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.043 -1.259 9.626 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.827 -1.139 11.388 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.336 -2.693 12.160 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.726 -2.934 12.880 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.601 -4.314 12.177 1.00 0.00 H new ATOM 791 N LYS A 48 1.000 -5.245 9.233 1.00 0.00 N ATOM 792 CA LYS A 48 0.109 -6.377 9.014 1.00 0.00 C ATOM 793 C LYS A 48 0.140 -6.798 7.555 1.00 0.00 C ATOM 794 O LYS A 48 0.169 -7.988 7.235 1.00 0.00 O ATOM 795 CB LYS A 48 -1.318 -6.069 9.467 1.00 0.00 C ATOM 796 CG LYS A 48 -1.343 -5.992 10.995 1.00 0.00 C ATOM 797 CD LYS A 48 -2.758 -5.689 11.488 1.00 0.00 C ATOM 798 CE LYS A 48 -2.736 -5.580 13.015 1.00 0.00 C ATOM 799 NZ LYS A 48 -2.240 -6.861 13.591 1.00 0.00 N ATOM 0 H LYS A 48 0.538 -4.382 9.519 1.00 0.00 H new ATOM 0 HA LYS A 48 0.466 -7.208 9.623 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.656 -5.127 9.036 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.001 -6.843 9.117 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.997 -6.935 11.419 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.657 -5.217 11.338 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.120 -4.759 11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.443 -6.477 11.176 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.093 -4.756 13.323 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.736 -5.362 13.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.560 -6.946 14.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.612 -7.658 13.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.200 -6.875 13.563 1.00 0.00 H new ATOM 813 N ILE A 49 0.186 -5.821 6.674 1.00 0.00 N ATOM 814 CA ILE A 49 0.272 -6.096 5.254 1.00 0.00 C ATOM 815 C ILE A 49 1.584 -6.824 4.967 1.00 0.00 C ATOM 816 O ILE A 49 1.616 -7.761 4.183 1.00 0.00 O ATOM 817 CB ILE A 49 0.209 -4.783 4.446 1.00 0.00 C ATOM 818 CG1 ILE A 49 -1.169 -4.110 4.613 1.00 0.00 C ATOM 819 CG2 ILE A 49 0.454 -5.071 2.962 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.285 -5.018 4.074 1.00 0.00 C ATOM 0 H ILE A 49 0.165 -4.830 6.915 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.569 -6.722 4.956 1.00 0.00 H new ATOM 0 HB ILE A 49 0.981 -4.111 4.822 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.348 -3.892 5.666 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.181 -3.157 4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.408 -4.139 2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.438 -5.523 2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.309 -5.756 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.249 -4.525 4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.115 -5.214 3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.284 -5.960 4.622 1.00 0.00 H new ATOM 832 N ALA A 50 2.663 -6.351 5.592 1.00 0.00 N ATOM 833 CA ALA A 50 4.013 -6.895 5.398 1.00 0.00 C ATOM 834 C ALA A 50 4.025 -8.415 5.354 1.00 0.00 C ATOM 835 O ALA A 50 4.916 -9.009 4.747 1.00 0.00 O ATOM 836 CB ALA A 50 4.961 -6.407 6.497 1.00 0.00 C ATOM 0 H ALA A 50 2.627 -5.574 6.252 1.00 0.00 H new ATOM 0 HA ALA A 50 4.358 -6.529 4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.955 -6.823 6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.015 -5.319 6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.589 -6.731 7.469 1.00 0.00 H new ATOM 842 N TYR A 51 3.045 -9.047 5.980 1.00 0.00 N ATOM 843 CA TYR A 51 2.946 -10.504 5.933 1.00 0.00 C ATOM 844 C TYR A 51 2.728 -10.924 4.480 1.00 0.00 C ATOM 845 O TYR A 51 3.301 -11.910 4.005 1.00 0.00 O ATOM 846 CB TYR A 51 1.790 -11.013 6.812 1.00 0.00 C ATOM 847 CG TYR A 51 1.960 -10.537 8.247 1.00 0.00 C ATOM 848 CD1 TYR A 51 3.223 -10.542 8.860 1.00 0.00 C ATOM 849 CD2 TYR A 51 0.847 -10.083 8.963 1.00 0.00 C ATOM 850 CE1 TYR A 51 3.364 -10.094 10.177 1.00 0.00 C ATOM 851 CE2 TYR A 51 0.990 -9.639 10.275 1.00 0.00 C ATOM 852 CZ TYR A 51 2.246 -9.641 10.882 1.00 0.00 C ATOM 853 OH TYR A 51 2.381 -9.196 12.177 1.00 0.00 O ATOM 0 H TYR A 51 2.314 -8.585 6.521 1.00 0.00 H new ATOM 0 HA TYR A 51 3.867 -10.940 6.320 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.840 -10.656 6.415 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.758 -12.102 6.786 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.086 -10.892 8.314 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.127 -10.077 8.496 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.336 -10.098 10.649 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.127 -9.292 10.824 1.00 0.00 H new ATOM 0 HH TYR A 51 1.507 -8.916 12.520 1.00 0.00 H new ATOM 863 N TYR A 52 1.993 -10.090 3.765 1.00 0.00 N ATOM 864 CA TYR A 52 1.783 -10.217 2.329 1.00 0.00 C ATOM 865 C TYR A 52 2.620 -9.158 1.622 1.00 0.00 C ATOM 866 O TYR A 52 3.502 -8.549 2.235 1.00 0.00 O ATOM 867 CB TYR A 52 0.295 -10.010 1.993 1.00 0.00 C ATOM 868 CG TYR A 52 -0.454 -11.320 2.093 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.699 -11.905 3.341 1.00 0.00 C ATOM 870 CD2 TYR A 52 -0.905 -11.950 0.928 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.392 -13.120 3.415 1.00 0.00 C ATOM 872 CE2 TYR A 52 -1.596 -13.159 1.007 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.838 -13.743 2.248 1.00 0.00 C ATOM 874 OH TYR A 52 -2.520 -14.939 2.322 1.00 0.00 O ATOM 0 H TYR A 52 1.514 -9.287 4.173 1.00 0.00 H new ATOM 0 HA TYR A 52 2.080 -11.213 1.999 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.141 -9.281 2.676 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.196 -9.603 0.987 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.355 -11.421 4.243 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.718 -11.499 -0.035 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.581 -13.575 4.376 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.943 -13.642 0.106 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.760 -15.235 1.419 1.00 0.00 H new ATOM 884 N LEU A 53 2.355 -8.945 0.335 1.00 0.00 N ATOM 885 CA LEU A 53 3.095 -7.955 -0.457 1.00 0.00 C ATOM 886 C LEU A 53 4.533 -8.403 -0.650 1.00 0.00 C ATOM 887 O LEU A 53 5.046 -9.233 0.105 1.00 0.00 O ATOM 888 CB LEU A 53 3.081 -6.556 0.222 1.00 0.00 C ATOM 889 CG LEU A 53 1.990 -5.644 -0.372 1.00 0.00 C ATOM 890 CD1 LEU A 53 2.370 -5.204 -1.792 1.00 0.00 C ATOM 891 CD2 LEU A 53 0.638 -6.360 -0.385 1.00 0.00 C ATOM 0 H LEU A 53 1.633 -9.443 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 53 2.600 -7.875 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.914 -6.673 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.056 -6.083 0.101 1.00 0.00 H new ATOM 0 HG LEU A 53 1.908 -4.758 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.588 -4.561 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.312 -4.656 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.481 -6.082 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.119 -5.700 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.711 -7.264 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.358 -6.627 0.634 1.00 0.00 H new ATOM 903 N ASN A 54 5.198 -7.812 -1.629 1.00 0.00 N ATOM 904 CA ASN A 54 6.600 -8.099 -1.879 1.00 0.00 C ATOM 905 C ASN A 54 7.332 -6.831 -2.287 1.00 0.00 C ATOM 906 O ASN A 54 7.479 -6.534 -3.478 1.00 0.00 O ATOM 907 CB ASN A 54 6.750 -9.184 -2.953 1.00 0.00 C ATOM 908 CG ASN A 54 8.209 -9.600 -3.098 1.00 0.00 C ATOM 909 OD1 ASN A 54 9.109 -8.764 -2.998 1.00 0.00 O ATOM 910 ND2 ASN A 54 8.503 -10.848 -3.318 1.00 0.00 N ATOM 0 H ASN A 54 4.787 -7.128 -2.265 1.00 0.00 H new ATOM 0 HA ASN A 54 7.046 -8.474 -0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.144 -10.051 -2.689 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.376 -8.813 -3.907 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.478 -11.134 -3.408 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.759 -11.540 -3.401 1.00 0.00 H new ATOM 917 N THR A 55 7.737 -6.066 -1.295 1.00 0.00 N ATOM 918 CA THR A 55 8.460 -4.828 -1.493 1.00 0.00 C ATOM 919 C THR A 55 9.058 -4.403 -0.159 1.00 0.00 C ATOM 920 O THR A 55 8.350 -4.385 0.845 1.00 0.00 O ATOM 921 CB THR A 55 7.512 -3.722 -2.022 1.00 0.00 C ATOM 922 OG1 THR A 55 8.129 -2.437 -1.885 1.00 0.00 O ATOM 923 CG2 THR A 55 6.178 -3.746 -1.254 1.00 0.00 C ATOM 0 H THR A 55 7.571 -6.290 -0.314 1.00 0.00 H new ATOM 0 HA THR A 55 9.249 -4.979 -2.230 1.00 0.00 H new ATOM 0 HB THR A 55 7.314 -3.911 -3.077 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.523 -1.745 -2.223 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.523 -2.963 -1.637 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.699 -4.716 -1.386 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.365 -3.575 -0.194 1.00 0.00 H new ATOM 931 N PRO A 56 10.312 -4.045 -0.104 1.00 0.00 N ATOM 932 CA PRO A 56 10.871 -3.577 1.200 1.00 0.00 C ATOM 933 C PRO A 56 10.109 -2.347 1.669 1.00 0.00 C ATOM 934 O PRO A 56 9.930 -1.397 0.902 1.00 0.00 O ATOM 935 CB PRO A 56 12.324 -3.208 0.865 1.00 0.00 C ATOM 936 CG PRO A 56 12.630 -3.994 -0.359 1.00 0.00 C ATOM 937 CD PRO A 56 11.339 -3.979 -1.163 1.00 0.00 C ATOM 0 HA PRO A 56 10.799 -4.322 1.992 1.00 0.00 H new ATOM 0 HB2 PRO A 56 12.432 -2.138 0.688 1.00 0.00 H new ATOM 0 HB3 PRO A 56 12.998 -3.465 1.682 1.00 0.00 H new ATOM 0 HG2 PRO A 56 13.451 -3.548 -0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 56 12.930 -5.012 -0.111 1.00 0.00 H new ATOM 0 HD2 PRO A 56 11.245 -3.076 -1.766 1.00 0.00 H new ATOM 0 HD3 PRO A 56 11.275 -4.826 -1.846 1.00 0.00 H new ATOM 945 N LEU A 57 9.704 -2.338 2.919 1.00 0.00 N ATOM 946 CA LEU A 57 9.019 -1.185 3.472 1.00 0.00 C ATOM 947 C LEU A 57 9.983 -0.016 3.559 1.00 0.00 C ATOM 948 O LEU A 57 9.609 1.143 3.372 1.00 0.00 O ATOM 949 CB LEU A 57 8.414 -1.496 4.843 1.00 0.00 C ATOM 950 CG LEU A 57 7.358 -2.615 4.704 1.00 0.00 C ATOM 951 CD1 LEU A 57 6.769 -2.954 6.078 1.00 0.00 C ATOM 952 CD2 LEU A 57 6.236 -2.189 3.745 1.00 0.00 C ATOM 0 H LEU A 57 9.835 -3.111 3.572 1.00 0.00 H new ATOM 0 HA LEU A 57 8.194 -0.921 2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.197 -1.806 5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.955 -0.600 5.261 1.00 0.00 H new ATOM 0 HG LEU A 57 7.846 -3.499 4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.025 -3.744 5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.565 -3.293 6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.297 -2.067 6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.504 -2.992 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.750 -1.293 4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.658 -1.980 2.762 1.00 0.00 H new ATOM 964 N GLU A 58 11.226 -0.333 3.878 1.00 0.00 N ATOM 965 CA GLU A 58 12.268 0.670 4.037 1.00 0.00 C ATOM 966 C GLU A 58 12.388 1.523 2.774 1.00 0.00 C ATOM 967 O GLU A 58 12.683 2.724 2.844 1.00 0.00 O ATOM 968 CB GLU A 58 13.624 0.003 4.363 1.00 0.00 C ATOM 969 CG GLU A 58 13.688 -1.422 3.777 1.00 0.00 C ATOM 970 CD GLU A 58 13.000 -2.405 4.700 1.00 0.00 C ATOM 971 OE1 GLU A 58 13.544 -2.695 5.737 1.00 0.00 O ATOM 972 OE2 GLU A 58 11.929 -2.845 4.361 1.00 0.00 O ATOM 0 H GLU A 58 11.542 -1.290 4.034 1.00 0.00 H new ATOM 0 HA GLU A 58 11.993 1.317 4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 58 14.437 0.605 3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.765 -0.036 5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.212 -1.440 2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.728 -1.716 3.632 1.00 0.00 H new ATOM 979 N ASP A 59 12.144 0.902 1.627 1.00 0.00 N ATOM 980 CA ASP A 59 12.209 1.602 0.344 1.00 0.00 C ATOM 981 C ASP A 59 11.167 2.705 0.275 1.00 0.00 C ATOM 982 O ASP A 59 11.359 3.710 -0.415 1.00 0.00 O ATOM 983 CB ASP A 59 12.017 0.639 -0.832 1.00 0.00 C ATOM 984 CG ASP A 59 12.372 1.349 -2.127 1.00 0.00 C ATOM 985 OD1 ASP A 59 13.535 1.619 -2.329 1.00 0.00 O ATOM 986 OD2 ASP A 59 11.486 1.631 -2.892 1.00 0.00 O ATOM 0 H ASP A 59 11.899 -0.086 1.556 1.00 0.00 H new ATOM 0 HA ASP A 59 13.203 2.044 0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.647 -0.241 -0.702 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.985 0.290 -0.866 1.00 0.00 H new ATOM 991 N ILE A 60 10.045 2.489 0.952 1.00 0.00 N ATOM 992 CA ILE A 60 8.930 3.429 0.918 1.00 0.00 C ATOM 993 C ILE A 60 9.386 4.767 1.475 1.00 0.00 C ATOM 994 O ILE A 60 9.057 5.820 0.941 1.00 0.00 O ATOM 995 CB ILE A 60 7.765 2.891 1.780 1.00 0.00 C ATOM 996 CG1 ILE A 60 7.187 1.626 1.149 1.00 0.00 C ATOM 997 CG2 ILE A 60 6.652 3.942 1.880 1.00 0.00 C ATOM 998 CD1 ILE A 60 6.225 0.963 2.135 1.00 0.00 C ATOM 0 H ILE A 60 9.883 1.667 1.534 1.00 0.00 H new ATOM 0 HA ILE A 60 8.592 3.550 -0.111 1.00 0.00 H new ATOM 0 HB ILE A 60 8.150 2.666 2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.665 1.873 0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.990 0.937 0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.837 3.552 2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.047 4.848 2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.280 4.174 0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.811 0.060 1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.761 0.703 3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.416 1.653 2.374 1.00 0.00 H new