USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 665 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 72 GLN :FLIP amide:sc= -0.393 F(o=-3.9,f=-0.68) USER MOD Set 1.2: A 75 LYS NZ :NH3+ -159:sc= -0.283 (180deg=-0.816) USER MOD Set 2.1: A 67 THR OG1 : rot 119:sc= -1.24 USER MOD Set 2.2: A 70 SER OG : rot 140:sc= 1.34 USER MOD Set 3.1: A 6 SER OG : rot -118:sc= 0.0617 USER MOD Set 3.2: A 8 HIS : no HD1:sc= -0.208 X(o=-0.15,f=-0.02) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.362 K(o=-0.36,f=-2.8!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 147:sc= -0.36 (180deg=-2.08!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 30:sc= -0.389 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 154:sc= -3.76 (180deg=-6.34!) USER MOD Single : A 36 GLN : amide:sc= -0.337 K(o=-0.34,f=-2.5!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.06 K(o=-1.1,f=-9.6!) USER MOD Single : A 42 GLN : amide:sc= -0.0118 X(o=-0.012,f=-0.12) USER MOD Single : A 44 SER OG : rot -67:sc= -5.08! USER MOD Single : A 46 CYS SG : rot -40:sc= -0.828 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00231 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 58:sc= -5.61! USER MOD Single : A 63 MET CE :methyl -178:sc= 0 (180deg=-0.0146) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.458 USER MOD Single : A 73 SER OG : rot 98:sc= 1.12 USER MOD Single : A 80 GLN : amide:sc= -0.0507 K(o=-0.051,f=-0.9) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -7:sc= 0.118 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.035 -34.081 -9.224 1.00 0.00 N ATOM 2 CA GLY A 1 21.626 -33.807 -7.857 1.00 0.00 C ATOM 3 C GLY A 1 20.639 -34.864 -7.357 1.00 0.00 C ATOM 4 O GLY A 1 20.913 -36.060 -7.435 1.00 0.00 O ATOM 0 H1 GLY A 1 22.704 -33.350 -9.539 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.494 -35.013 -9.269 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.200 -34.076 -9.844 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.502 -33.787 -7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.166 -32.820 -7.802 1.00 0.00 H new ATOM 8 N SER A 2 19.511 -34.383 -6.854 1.00 0.00 N ATOM 9 CA SER A 2 18.482 -35.272 -6.342 1.00 0.00 C ATOM 10 C SER A 2 17.107 -34.819 -6.835 1.00 0.00 C ATOM 11 O SER A 2 16.951 -33.692 -7.302 1.00 0.00 O ATOM 12 CB SER A 2 18.508 -35.320 -4.813 1.00 0.00 C ATOM 13 OG SER A 2 18.234 -34.047 -4.234 1.00 0.00 O ATOM 0 H SER A 2 19.287 -33.390 -6.790 1.00 0.00 H new ATOM 0 HA SER A 2 18.681 -36.277 -6.714 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.774 -36.044 -4.461 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.485 -35.668 -4.478 1.00 0.00 H new ATOM 0 HG SER A 2 18.258 -34.120 -3.257 1.00 0.00 H new ATOM 19 N SER A 3 16.144 -35.721 -6.716 1.00 0.00 N ATOM 20 CA SER A 3 14.787 -35.429 -7.144 1.00 0.00 C ATOM 21 C SER A 3 13.888 -35.215 -5.924 1.00 0.00 C ATOM 22 O SER A 3 14.278 -35.523 -4.799 1.00 0.00 O ATOM 23 CB SER A 3 14.232 -36.552 -8.022 1.00 0.00 C ATOM 24 OG SER A 3 14.977 -36.705 -9.227 1.00 0.00 O ATOM 0 H SER A 3 16.277 -36.655 -6.329 1.00 0.00 H new ATOM 0 HA SER A 3 14.805 -34.516 -7.739 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.247 -37.489 -7.465 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.190 -36.342 -8.264 1.00 0.00 H new ATOM 0 HG SER A 3 14.593 -37.433 -9.759 1.00 0.00 H new ATOM 30 N GLY A 4 12.700 -34.690 -6.189 1.00 0.00 N ATOM 31 CA GLY A 4 11.743 -34.432 -5.127 1.00 0.00 C ATOM 32 C GLY A 4 11.129 -33.038 -5.270 1.00 0.00 C ATOM 33 O GLY A 4 11.837 -32.034 -5.208 1.00 0.00 O ATOM 0 H GLY A 4 12.379 -34.437 -7.123 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.955 -35.185 -5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.236 -34.519 -4.159 1.00 0.00 H new ATOM 37 N SER A 5 9.817 -33.020 -5.457 1.00 0.00 N ATOM 38 CA SER A 5 9.099 -31.766 -5.609 1.00 0.00 C ATOM 39 C SER A 5 8.043 -31.631 -4.511 1.00 0.00 C ATOM 40 O SER A 5 6.999 -32.280 -4.566 1.00 0.00 O ATOM 41 CB SER A 5 8.446 -31.669 -6.989 1.00 0.00 C ATOM 42 OG SER A 5 7.870 -30.386 -7.218 1.00 0.00 O ATOM 0 H SER A 5 9.233 -33.854 -5.507 1.00 0.00 H new ATOM 0 HA SER A 5 9.815 -30.949 -5.518 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.191 -31.874 -7.758 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.675 -32.434 -7.080 1.00 0.00 H new ATOM 0 HG SER A 5 7.465 -30.364 -8.110 1.00 0.00 H new ATOM 48 N SER A 6 8.350 -30.785 -3.539 1.00 0.00 N ATOM 49 CA SER A 6 7.440 -30.557 -2.430 1.00 0.00 C ATOM 50 C SER A 6 6.916 -29.120 -2.469 1.00 0.00 C ATOM 51 O SER A 6 7.575 -28.230 -3.006 1.00 0.00 O ATOM 52 CB SER A 6 8.124 -30.836 -1.090 1.00 0.00 C ATOM 53 OG SER A 6 7.237 -31.444 -0.154 1.00 0.00 O ATOM 0 H SER A 6 9.217 -30.249 -3.497 1.00 0.00 H new ATOM 0 HA SER A 6 6.601 -31.246 -2.530 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.984 -31.487 -1.250 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.504 -29.902 -0.676 1.00 0.00 H new ATOM 0 HG SER A 6 7.131 -30.858 0.624 1.00 0.00 H new ATOM 59 N GLY A 7 5.737 -28.937 -1.894 1.00 0.00 N ATOM 60 CA GLY A 7 5.118 -27.623 -1.856 1.00 0.00 C ATOM 61 C GLY A 7 5.282 -26.979 -0.478 1.00 0.00 C ATOM 62 O GLY A 7 6.208 -26.199 -0.260 1.00 0.00 O ATOM 0 H GLY A 7 5.193 -29.677 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.567 -26.983 -2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.059 -27.709 -2.097 1.00 0.00 H new ATOM 66 N HIS A 8 4.368 -27.328 0.416 1.00 0.00 N ATOM 67 CA HIS A 8 4.400 -26.794 1.766 1.00 0.00 C ATOM 68 C HIS A 8 4.189 -25.279 1.724 1.00 0.00 C ATOM 69 O HIS A 8 4.965 -24.558 1.098 1.00 0.00 O ATOM 70 CB HIS A 8 5.695 -27.192 2.478 1.00 0.00 C ATOM 71 CG HIS A 8 5.863 -28.682 2.657 1.00 0.00 C ATOM 72 ND1 HIS A 8 6.822 -29.234 3.489 1.00 0.00 N ATOM 73 CD2 HIS A 8 5.185 -29.729 2.105 1.00 0.00 C ATOM 74 CE1 HIS A 8 6.718 -30.553 3.431 1.00 0.00 C ATOM 75 NE2 HIS A 8 5.703 -30.858 2.573 1.00 0.00 N ATOM 0 H HIS A 8 3.601 -27.974 0.231 1.00 0.00 H new ATOM 0 HA HIS A 8 3.586 -27.224 2.350 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.543 -26.806 1.911 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.722 -26.713 3.457 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.366 -29.652 1.406 1.00 0.00 H new ATOM 0 HE1 HIS A 8 7.330 -31.262 3.969 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.393 -31.799 2.331 1.00 0.00 H new ATOM 83 N GLN A 9 3.136 -24.841 2.397 1.00 0.00 N ATOM 84 CA GLN A 9 2.813 -23.426 2.444 1.00 0.00 C ATOM 85 C GLN A 9 2.169 -23.072 3.786 1.00 0.00 C ATOM 86 O GLN A 9 1.160 -23.662 4.170 1.00 0.00 O ATOM 87 CB GLN A 9 1.902 -23.032 1.279 1.00 0.00 C ATOM 88 CG GLN A 9 1.750 -21.512 1.192 1.00 0.00 C ATOM 89 CD GLN A 9 0.326 -21.126 0.785 1.00 0.00 C ATOM 90 OE1 GLN A 9 -0.001 -21.003 -0.384 1.00 0.00 O ATOM 91 NE2 GLN A 9 -0.499 -20.943 1.811 1.00 0.00 N ATOM 0 H GLN A 9 2.495 -25.442 2.915 1.00 0.00 H new ATOM 0 HA GLN A 9 3.739 -22.859 2.347 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.314 -23.414 0.345 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.922 -23.492 1.407 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.991 -21.063 2.156 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.460 -21.113 0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.160 -21.062 2.766 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.471 -20.683 1.644 1.00 0.00 H new ATOM 100 N GLN A 10 2.779 -22.111 4.464 1.00 0.00 N ATOM 101 CA GLN A 10 2.279 -21.672 5.756 1.00 0.00 C ATOM 102 C GLN A 10 3.129 -20.517 6.290 1.00 0.00 C ATOM 103 O GLN A 10 4.264 -20.325 5.857 1.00 0.00 O ATOM 104 CB GLN A 10 2.241 -22.832 6.752 1.00 0.00 C ATOM 105 CG GLN A 10 3.654 -23.316 7.085 1.00 0.00 C ATOM 106 CD GLN A 10 3.642 -24.778 7.536 1.00 0.00 C ATOM 107 OE1 GLN A 10 4.107 -25.671 6.847 1.00 0.00 O ATOM 108 NE2 GLN A 10 3.085 -24.971 8.728 1.00 0.00 N ATOM 0 H GLN A 10 3.616 -21.624 4.143 1.00 0.00 H new ATOM 0 HA GLN A 10 1.257 -21.315 5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.737 -22.516 7.665 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.660 -23.655 6.335 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.295 -23.207 6.210 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.080 -22.693 7.871 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.715 -24.178 9.252 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.028 -25.912 9.118 1.00 0.00 H new ATOM 117 N GLN A 11 2.546 -19.779 7.223 1.00 0.00 N ATOM 118 CA GLN A 11 3.236 -18.648 7.821 1.00 0.00 C ATOM 119 C GLN A 11 4.696 -19.007 8.104 1.00 0.00 C ATOM 120 O GLN A 11 4.982 -20.064 8.664 1.00 0.00 O ATOM 121 CB GLN A 11 2.528 -18.186 9.096 1.00 0.00 C ATOM 122 CG GLN A 11 1.154 -17.593 8.775 1.00 0.00 C ATOM 123 CD GLN A 11 0.046 -18.348 9.512 1.00 0.00 C ATOM 124 OE1 GLN A 11 0.289 -19.144 10.404 1.00 0.00 O ATOM 125 NE2 GLN A 11 -1.181 -18.054 9.090 1.00 0.00 N ATOM 0 H GLN A 11 1.604 -19.942 7.580 1.00 0.00 H new ATOM 0 HA GLN A 11 3.216 -17.819 7.113 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.414 -19.028 9.779 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.139 -17.442 9.607 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.133 -16.541 9.058 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.977 -17.637 7.700 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.313 -17.378 8.338 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.989 -18.505 9.518 1.00 0.00 H new ATOM 134 N ARG A 12 5.582 -18.106 7.705 1.00 0.00 N ATOM 135 CA ARG A 12 7.005 -18.314 7.909 1.00 0.00 C ATOM 136 C ARG A 12 7.602 -17.154 8.710 1.00 0.00 C ATOM 137 O ARG A 12 8.181 -17.363 9.775 1.00 0.00 O ATOM 138 CB ARG A 12 7.741 -18.434 6.573 1.00 0.00 C ATOM 139 CG ARG A 12 8.488 -19.766 6.477 1.00 0.00 C ATOM 140 CD ARG A 12 9.472 -19.760 5.306 1.00 0.00 C ATOM 141 NE ARG A 12 10.453 -18.664 5.476 1.00 0.00 N ATOM 142 CZ ARG A 12 11.425 -18.384 4.597 1.00 0.00 C ATOM 143 NH1 ARG A 12 11.553 -19.115 3.482 1.00 0.00 N ATOM 144 NH2 ARG A 12 12.270 -17.371 4.834 1.00 0.00 N ATOM 0 H ARG A 12 5.341 -17.230 7.241 1.00 0.00 H new ATOM 0 HA ARG A 12 7.128 -19.244 8.464 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.028 -18.353 5.752 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.446 -17.609 6.466 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.025 -19.954 7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.773 -20.580 6.352 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.990 -20.718 5.250 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.933 -19.634 4.367 1.00 0.00 H new ATOM 0 HE ARG A 12 10.385 -18.086 6.314 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.910 -19.886 3.301 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.293 -18.901 2.814 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.173 -16.814 5.683 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.010 -17.157 4.165 1.00 0.00 H new ATOM 158 N SER A 13 7.440 -15.957 8.166 1.00 0.00 N ATOM 159 CA SER A 13 7.956 -14.764 8.816 1.00 0.00 C ATOM 160 C SER A 13 7.317 -13.516 8.203 1.00 0.00 C ATOM 161 O SER A 13 7.068 -13.470 6.999 1.00 0.00 O ATOM 162 CB SER A 13 9.480 -14.690 8.703 1.00 0.00 C ATOM 163 OG SER A 13 10.087 -14.287 9.928 1.00 0.00 O ATOM 0 H SER A 13 6.959 -15.787 7.283 1.00 0.00 H new ATOM 0 HA SER A 13 7.699 -14.813 9.874 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.870 -15.665 8.409 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.752 -13.987 7.915 1.00 0.00 H new ATOM 0 HG SER A 13 11.060 -14.253 9.815 1.00 0.00 H new ATOM 169 N VAL A 14 7.069 -12.536 9.059 1.00 0.00 N ATOM 170 CA VAL A 14 6.464 -11.291 8.617 1.00 0.00 C ATOM 171 C VAL A 14 7.337 -10.117 9.064 1.00 0.00 C ATOM 172 O VAL A 14 8.033 -10.207 10.074 1.00 0.00 O ATOM 173 CB VAL A 14 5.026 -11.197 9.131 1.00 0.00 C ATOM 174 CG1 VAL A 14 4.273 -10.053 8.448 1.00 0.00 C ATOM 175 CG2 VAL A 14 4.289 -12.525 8.947 1.00 0.00 C ATOM 0 H VAL A 14 7.276 -12.579 10.057 1.00 0.00 H new ATOM 0 HA VAL A 14 6.409 -11.258 7.529 1.00 0.00 H new ATOM 0 HB VAL A 14 5.066 -10.982 10.199 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.254 -10.008 8.831 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.780 -9.110 8.654 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.249 -10.225 7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.269 -12.430 9.321 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.265 -12.784 7.889 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.807 -13.308 9.501 1.00 0.00 H new ATOM 185 N MET A 15 7.271 -9.044 8.290 1.00 0.00 N ATOM 186 CA MET A 15 8.047 -7.854 8.594 1.00 0.00 C ATOM 187 C MET A 15 7.239 -6.585 8.311 1.00 0.00 C ATOM 188 O MET A 15 6.208 -6.638 7.642 1.00 0.00 O ATOM 189 CB MET A 15 9.323 -7.846 7.749 1.00 0.00 C ATOM 190 CG MET A 15 9.000 -8.045 6.267 1.00 0.00 C ATOM 191 SD MET A 15 8.707 -6.465 5.489 1.00 0.00 S ATOM 192 CE MET A 15 10.315 -5.716 5.694 1.00 0.00 C ATOM 0 H MET A 15 6.692 -8.974 7.453 1.00 0.00 H new ATOM 0 HA MET A 15 8.303 -7.871 9.653 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.849 -6.901 7.887 1.00 0.00 H new ATOM 0 HB3 MET A 15 9.993 -8.636 8.088 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.826 -8.556 5.772 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.121 -8.681 6.160 1.00 0.00 H new ATOM 0 HE1 MET A 15 10.524 -5.065 4.845 1.00 0.00 H new ATOM 0 HE2 MET A 15 10.329 -5.130 6.613 1.00 0.00 H new ATOM 0 HE3 MET A 15 11.075 -6.495 5.749 1.00 0.00 H new ATOM 202 N THR A 16 7.738 -5.475 8.834 1.00 0.00 N ATOM 203 CA THR A 16 7.076 -4.196 8.646 1.00 0.00 C ATOM 204 C THR A 16 7.954 -3.258 7.815 1.00 0.00 C ATOM 205 O THR A 16 9.152 -3.136 8.068 1.00 0.00 O ATOM 206 CB THR A 16 6.727 -3.637 10.027 1.00 0.00 C ATOM 207 OG1 THR A 16 5.857 -4.616 10.588 1.00 0.00 O ATOM 208 CG2 THR A 16 5.864 -2.375 9.947 1.00 0.00 C ATOM 0 H THR A 16 8.593 -5.435 9.388 1.00 0.00 H new ATOM 0 HA THR A 16 6.150 -4.309 8.081 1.00 0.00 H new ATOM 0 HB THR A 16 7.645 -3.416 10.571 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.583 -4.334 11.486 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.645 -2.020 10.954 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.401 -1.601 9.398 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.931 -2.604 9.432 1.00 0.00 H new ATOM 216 N GLU A 17 7.324 -2.618 6.841 1.00 0.00 N ATOM 217 CA GLU A 17 8.033 -1.695 5.971 1.00 0.00 C ATOM 218 C GLU A 17 7.266 -0.376 5.859 1.00 0.00 C ATOM 219 O GLU A 17 6.037 -0.364 5.888 1.00 0.00 O ATOM 220 CB GLU A 17 8.267 -2.312 4.591 1.00 0.00 C ATOM 221 CG GLU A 17 9.016 -1.340 3.676 1.00 0.00 C ATOM 222 CD GLU A 17 10.506 -1.301 4.020 1.00 0.00 C ATOM 223 OE1 GLU A 17 11.161 -2.348 3.829 1.00 0.00 O ATOM 224 OE2 GLU A 17 10.957 -0.224 4.468 1.00 0.00 O ATOM 0 H GLU A 17 6.330 -2.720 6.635 1.00 0.00 H new ATOM 0 HA GLU A 17 9.009 -1.489 6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.838 -3.235 4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.311 -2.578 4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.887 -1.641 2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.590 -0.341 3.774 1.00 0.00 H new ATOM 231 N GLU A 18 8.024 0.704 5.735 1.00 0.00 N ATOM 232 CA GLU A 18 7.431 2.025 5.618 1.00 0.00 C ATOM 233 C GLU A 18 7.640 2.578 4.207 1.00 0.00 C ATOM 234 O GLU A 18 8.705 3.108 3.896 1.00 0.00 O ATOM 235 CB GLU A 18 8.003 2.977 6.671 1.00 0.00 C ATOM 236 CG GLU A 18 7.628 4.428 6.359 1.00 0.00 C ATOM 237 CD GLU A 18 7.699 5.295 7.618 1.00 0.00 C ATOM 238 OE1 GLU A 18 7.312 4.775 8.687 1.00 0.00 O ATOM 239 OE2 GLU A 18 8.138 6.457 7.482 1.00 0.00 O ATOM 0 H GLU A 18 9.044 0.691 5.713 1.00 0.00 H new ATOM 0 HA GLU A 18 6.359 1.938 5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.626 2.704 7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.088 2.877 6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.301 4.826 5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.621 4.466 5.943 1.00 0.00 H new ATOM 246 N TYR A 19 6.605 2.436 3.391 1.00 0.00 N ATOM 247 CA TYR A 19 6.662 2.915 2.021 1.00 0.00 C ATOM 248 C TYR A 19 5.929 4.250 1.876 1.00 0.00 C ATOM 249 O TYR A 19 4.753 4.358 2.221 1.00 0.00 O ATOM 250 CB TYR A 19 5.946 1.860 1.175 1.00 0.00 C ATOM 251 CG TYR A 19 6.179 2.005 -0.330 1.00 0.00 C ATOM 252 CD1 TYR A 19 7.376 1.598 -0.885 1.00 0.00 C ATOM 253 CD2 TYR A 19 5.194 2.543 -1.132 1.00 0.00 C ATOM 254 CE1 TYR A 19 7.595 1.735 -2.302 1.00 0.00 C ATOM 255 CE2 TYR A 19 5.413 2.680 -2.549 1.00 0.00 C ATOM 256 CZ TYR A 19 6.603 2.269 -3.063 1.00 0.00 C ATOM 257 OH TYR A 19 6.811 2.398 -4.401 1.00 0.00 O ATOM 0 H TYR A 19 5.723 1.996 3.653 1.00 0.00 H new ATOM 0 HA TYR A 19 7.696 3.069 1.711 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.278 0.871 1.490 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.876 1.915 1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.147 1.177 -0.257 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.258 2.862 -0.697 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.526 1.421 -2.750 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.650 3.099 -3.188 1.00 0.00 H new ATOM 0 HH TYR A 19 7.417 1.691 -4.707 1.00 0.00 H new ATOM 267 N LYS A 20 6.654 5.234 1.365 1.00 0.00 N ATOM 268 CA LYS A 20 6.087 6.558 1.170 1.00 0.00 C ATOM 269 C LYS A 20 5.518 6.661 -0.246 1.00 0.00 C ATOM 270 O LYS A 20 6.121 6.170 -1.199 1.00 0.00 O ATOM 271 CB LYS A 20 7.122 7.637 1.497 1.00 0.00 C ATOM 272 CG LYS A 20 7.226 7.857 3.008 1.00 0.00 C ATOM 273 CD LYS A 20 7.268 9.349 3.343 1.00 0.00 C ATOM 274 CE LYS A 20 8.329 9.643 4.405 1.00 0.00 C ATOM 275 NZ LYS A 20 8.005 10.892 5.130 1.00 0.00 N ATOM 0 H LYS A 20 7.629 5.141 1.080 1.00 0.00 H new ATOM 0 HA LYS A 20 5.259 6.723 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.095 7.345 1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.846 8.571 1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.375 7.393 3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.123 7.370 3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.483 9.922 2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.291 9.673 3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.388 8.812 5.108 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.308 9.732 3.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.735 11.077 5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.972 11.685 4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.080 10.793 5.595 1.00 0.00 H new ATOM 289 N VAL A 21 4.363 7.303 -0.340 1.00 0.00 N ATOM 290 CA VAL A 21 3.705 7.477 -1.624 1.00 0.00 C ATOM 291 C VAL A 21 3.209 8.919 -1.747 1.00 0.00 C ATOM 292 O VAL A 21 3.020 9.602 -0.742 1.00 0.00 O ATOM 293 CB VAL A 21 2.587 6.444 -1.783 1.00 0.00 C ATOM 294 CG1 VAL A 21 3.156 5.025 -1.835 1.00 0.00 C ATOM 295 CG2 VAL A 21 1.552 6.580 -0.665 1.00 0.00 C ATOM 0 H VAL A 21 3.866 7.709 0.452 1.00 0.00 H new ATOM 0 HA VAL A 21 4.407 7.305 -2.440 1.00 0.00 H new ATOM 0 HB VAL A 21 2.083 6.638 -2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.341 4.310 -1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.837 4.937 -2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.697 4.816 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.769 5.834 -0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.036 6.425 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.113 7.577 -0.695 1.00 0.00 H new ATOM 305 N PRO A 22 3.007 9.350 -3.021 1.00 0.00 N ATOM 306 CA PRO A 22 2.537 10.699 -3.288 1.00 0.00 C ATOM 307 C PRO A 22 1.046 10.833 -2.970 1.00 0.00 C ATOM 308 O PRO A 22 0.209 10.218 -3.628 1.00 0.00 O ATOM 309 CB PRO A 22 2.855 10.943 -4.755 1.00 0.00 C ATOM 310 CG PRO A 22 3.064 9.569 -5.370 1.00 0.00 C ATOM 311 CD PRO A 22 3.220 8.569 -4.235 1.00 0.00 C ATOM 0 HA PRO A 22 3.022 11.446 -2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.040 11.472 -5.249 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.747 11.560 -4.864 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.217 9.301 -6.002 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.949 9.566 -6.006 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.494 7.760 -4.318 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.209 8.112 -4.243 1.00 0.00 H new ATOM 319 N ASP A 23 0.760 11.641 -1.959 1.00 0.00 N ATOM 320 CA ASP A 23 -0.615 11.863 -1.545 1.00 0.00 C ATOM 321 C ASP A 23 -1.454 12.251 -2.764 1.00 0.00 C ATOM 322 O ASP A 23 -2.662 12.022 -2.789 1.00 0.00 O ATOM 323 CB ASP A 23 -0.706 13.002 -0.527 1.00 0.00 C ATOM 324 CG ASP A 23 -2.113 13.560 -0.305 1.00 0.00 C ATOM 325 OD1 ASP A 23 -3.004 12.743 0.013 1.00 0.00 O ATOM 326 OD2 ASP A 23 -2.266 14.791 -0.459 1.00 0.00 O ATOM 0 H ASP A 23 1.457 12.150 -1.415 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.983 10.943 -1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.317 12.648 0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.057 13.814 -0.854 1.00 0.00 H new ATOM 331 N GLY A 24 -0.780 12.831 -3.746 1.00 0.00 N ATOM 332 CA GLY A 24 -1.448 13.252 -4.966 1.00 0.00 C ATOM 333 C GLY A 24 -1.910 12.044 -5.784 1.00 0.00 C ATOM 334 O GLY A 24 -2.617 12.197 -6.778 1.00 0.00 O ATOM 0 H GLY A 24 0.222 13.019 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.306 13.877 -4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.771 13.863 -5.563 1.00 0.00 H new ATOM 338 N MET A 25 -1.490 10.871 -5.334 1.00 0.00 N ATOM 339 CA MET A 25 -1.851 9.637 -6.012 1.00 0.00 C ATOM 340 C MET A 25 -2.555 8.672 -5.056 1.00 0.00 C ATOM 341 O MET A 25 -3.516 8.006 -5.438 1.00 0.00 O ATOM 342 CB MET A 25 -0.591 8.974 -6.571 1.00 0.00 C ATOM 343 CG MET A 25 0.054 9.844 -7.652 1.00 0.00 C ATOM 344 SD MET A 25 -1.110 10.138 -8.973 1.00 0.00 S ATOM 345 CE MET A 25 -1.096 8.535 -9.760 1.00 0.00 C ATOM 0 H MET A 25 -0.903 10.749 -4.509 1.00 0.00 H new ATOM 0 HA MET A 25 -2.536 9.878 -6.825 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.122 8.802 -5.765 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.843 7.999 -6.987 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.377 10.792 -7.223 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.944 9.352 -8.043 1.00 0.00 H new ATOM 0 HE1 MET A 25 -2.043 8.375 -10.276 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.279 8.490 -10.480 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.958 7.760 -9.006 1.00 0.00 H new ATOM 355 N VAL A 26 -2.050 8.629 -3.832 1.00 0.00 N ATOM 356 CA VAL A 26 -2.619 7.756 -2.818 1.00 0.00 C ATOM 357 C VAL A 26 -4.144 7.866 -2.855 1.00 0.00 C ATOM 358 O VAL A 26 -4.843 6.854 -2.858 1.00 0.00 O ATOM 359 CB VAL A 26 -2.028 8.092 -1.448 1.00 0.00 C ATOM 360 CG1 VAL A 26 -2.818 9.213 -0.770 1.00 0.00 C ATOM 361 CG2 VAL A 26 -1.966 6.849 -0.558 1.00 0.00 C ATOM 0 H VAL A 26 -1.253 9.184 -3.519 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.363 6.716 -3.021 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.008 8.446 -1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.377 9.432 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.788 10.107 -1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.853 8.899 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.542 7.115 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.971 6.452 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.341 6.093 -1.032 1.00 0.00 H new ATOM 371 N GLY A 27 -4.616 9.104 -2.882 1.00 0.00 N ATOM 372 CA GLY A 27 -6.046 9.359 -2.918 1.00 0.00 C ATOM 373 C GLY A 27 -6.719 8.554 -4.031 1.00 0.00 C ATOM 374 O GLY A 27 -7.890 8.195 -3.922 1.00 0.00 O ATOM 0 H GLY A 27 -4.033 9.941 -2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.490 9.099 -1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.225 10.423 -3.074 1.00 0.00 H new ATOM 378 N PHE A 28 -5.949 8.293 -5.078 1.00 0.00 N ATOM 379 CA PHE A 28 -6.456 7.537 -6.210 1.00 0.00 C ATOM 380 C PHE A 28 -6.124 6.050 -6.069 1.00 0.00 C ATOM 381 O PHE A 28 -6.771 5.205 -6.685 1.00 0.00 O ATOM 382 CB PHE A 28 -5.764 8.085 -7.460 1.00 0.00 C ATOM 383 CG PHE A 28 -5.669 7.080 -8.610 1.00 0.00 C ATOM 384 CD1 PHE A 28 -6.761 6.352 -8.969 1.00 0.00 C ATOM 385 CD2 PHE A 28 -4.493 6.914 -9.272 1.00 0.00 C ATOM 386 CE1 PHE A 28 -6.672 5.420 -10.036 1.00 0.00 C ATOM 387 CE2 PHE A 28 -4.405 5.982 -10.339 1.00 0.00 C ATOM 388 CZ PHE A 28 -5.496 5.254 -10.699 1.00 0.00 C ATOM 0 H PHE A 28 -4.978 8.592 -5.166 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.540 7.636 -6.268 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.305 8.966 -7.805 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.759 8.412 -7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.695 6.483 -8.443 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.626 7.491 -8.986 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.539 4.842 -10.322 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.471 5.851 -10.865 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.429 4.545 -11.511 1.00 0.00 H new ATOM 398 N ILE A 29 -5.116 5.776 -5.253 1.00 0.00 N ATOM 399 CA ILE A 29 -4.691 4.406 -5.023 1.00 0.00 C ATOM 400 C ILE A 29 -5.807 3.643 -4.308 1.00 0.00 C ATOM 401 O ILE A 29 -6.023 2.461 -4.570 1.00 0.00 O ATOM 402 CB ILE A 29 -3.353 4.378 -4.280 1.00 0.00 C ATOM 403 CG1 ILE A 29 -2.256 5.058 -5.101 1.00 0.00 C ATOM 404 CG2 ILE A 29 -2.974 2.949 -3.888 1.00 0.00 C ATOM 405 CD1 ILE A 29 -0.879 4.825 -4.476 1.00 0.00 C ATOM 0 H ILE A 29 -4.582 6.480 -4.743 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.514 3.898 -5.971 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.463 4.947 -3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.267 4.671 -6.120 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.454 6.128 -5.164 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.020 2.957 -3.362 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.744 2.534 -3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.888 2.336 -4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.117 5.319 -5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.864 5.235 -3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.673 3.755 -4.437 1.00 0.00 H new ATOM 417 N ILE A 30 -6.488 4.351 -3.419 1.00 0.00 N ATOM 418 CA ILE A 30 -7.578 3.755 -2.664 1.00 0.00 C ATOM 419 C ILE A 30 -8.637 3.229 -3.634 1.00 0.00 C ATOM 420 O ILE A 30 -8.987 2.050 -3.598 1.00 0.00 O ATOM 421 CB ILE A 30 -8.124 4.748 -1.636 1.00 0.00 C ATOM 422 CG1 ILE A 30 -6.985 5.441 -0.885 1.00 0.00 C ATOM 423 CG2 ILE A 30 -9.108 4.066 -0.683 1.00 0.00 C ATOM 424 CD1 ILE A 30 -7.053 6.959 -1.067 1.00 0.00 C ATOM 0 H ILE A 30 -6.306 5.331 -3.204 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.220 2.901 -2.089 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.677 5.522 -2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.041 5.195 0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.026 5.070 -1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.481 4.794 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.943 3.659 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.602 3.259 -0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.233 7.428 -0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.972 7.202 -2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.003 7.330 -0.681 1.00 0.00 H new ATOM 436 N GLY A 31 -9.118 4.129 -4.479 1.00 0.00 N ATOM 437 CA GLY A 31 -10.131 3.770 -5.458 1.00 0.00 C ATOM 438 C GLY A 31 -11.537 3.952 -4.883 1.00 0.00 C ATOM 439 O GLY A 31 -12.343 3.023 -4.899 1.00 0.00 O ATOM 0 H GLY A 31 -8.825 5.106 -4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.016 4.387 -6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.992 2.734 -5.768 1.00 0.00 H new ATOM 443 N ARG A 32 -11.789 5.156 -4.390 1.00 0.00 N ATOM 444 CA ARG A 32 -13.085 5.471 -3.812 1.00 0.00 C ATOM 445 C ARG A 32 -13.623 4.271 -3.030 1.00 0.00 C ATOM 446 O ARG A 32 -14.387 3.470 -3.565 1.00 0.00 O ATOM 447 CB ARG A 32 -14.092 5.858 -4.896 1.00 0.00 C ATOM 448 CG ARG A 32 -14.916 7.075 -4.469 1.00 0.00 C ATOM 449 CD ARG A 32 -15.840 6.729 -3.300 1.00 0.00 C ATOM 450 NE ARG A 32 -16.921 7.734 -3.193 1.00 0.00 N ATOM 451 CZ ARG A 32 -18.002 7.595 -2.415 1.00 0.00 C ATOM 452 NH1 ARG A 32 -18.153 6.492 -1.669 1.00 0.00 N ATOM 453 NH2 ARG A 32 -18.932 8.559 -2.381 1.00 0.00 N ATOM 0 H ARG A 32 -11.118 5.925 -4.379 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.951 6.317 -3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -13.566 6.078 -5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.756 5.017 -5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -14.249 7.888 -4.182 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -15.508 7.432 -5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.268 5.737 -3.445 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -15.269 6.697 -2.372 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.837 8.586 -3.747 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.445 5.759 -1.694 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -18.976 6.386 -1.076 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.817 9.399 -2.948 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.755 8.453 -1.788 1.00 0.00 H new ATOM 467 N GLY A 33 -13.203 4.186 -1.776 1.00 0.00 N ATOM 468 CA GLY A 33 -13.634 3.098 -0.915 1.00 0.00 C ATOM 469 C GLY A 33 -12.448 2.224 -0.502 1.00 0.00 C ATOM 470 O GLY A 33 -12.390 1.744 0.630 1.00 0.00 O ATOM 0 H GLY A 33 -12.569 4.853 -1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.119 3.503 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.375 2.490 -1.434 1.00 0.00 H new ATOM 474 N GLY A 34 -11.531 2.043 -1.441 1.00 0.00 N ATOM 475 CA GLY A 34 -10.349 1.236 -1.188 1.00 0.00 C ATOM 476 C GLY A 34 -10.391 -0.064 -1.994 1.00 0.00 C ATOM 477 O GLY A 34 -9.857 -1.084 -1.562 1.00 0.00 O ATOM 0 H GLY A 34 -11.583 2.441 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.455 1.802 -1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.281 1.007 -0.125 1.00 0.00 H new ATOM 481 N GLU A 35 -11.030 0.016 -3.152 1.00 0.00 N ATOM 482 CA GLU A 35 -11.149 -1.141 -4.023 1.00 0.00 C ATOM 483 C GLU A 35 -9.922 -1.250 -4.931 1.00 0.00 C ATOM 484 O GLU A 35 -9.573 -2.340 -5.381 1.00 0.00 O ATOM 485 CB GLU A 35 -12.437 -1.079 -4.846 1.00 0.00 C ATOM 486 CG GLU A 35 -12.250 -0.208 -6.090 1.00 0.00 C ATOM 487 CD GLU A 35 -13.582 0.013 -6.810 1.00 0.00 C ATOM 488 OE1 GLU A 35 -13.919 -0.843 -7.656 1.00 0.00 O ATOM 489 OE2 GLU A 35 -14.233 1.033 -6.497 1.00 0.00 O ATOM 0 H GLU A 35 -11.471 0.864 -3.507 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.198 -2.035 -3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.732 -2.085 -5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.245 -0.677 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.823 0.753 -5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.541 -0.683 -6.768 1.00 0.00 H new ATOM 496 N GLN A 36 -9.301 -0.105 -5.172 1.00 0.00 N ATOM 497 CA GLN A 36 -8.121 -0.057 -6.018 1.00 0.00 C ATOM 498 C GLN A 36 -6.895 -0.550 -5.247 1.00 0.00 C ATOM 499 O GLN A 36 -5.999 -1.164 -5.825 1.00 0.00 O ATOM 500 CB GLN A 36 -7.894 1.354 -6.565 1.00 0.00 C ATOM 501 CG GLN A 36 -6.607 1.423 -7.388 1.00 0.00 C ATOM 502 CD GLN A 36 -6.917 1.487 -8.886 1.00 0.00 C ATOM 503 OE1 GLN A 36 -8.053 1.379 -9.316 1.00 0.00 O ATOM 504 NE2 GLN A 36 -5.845 1.667 -9.652 1.00 0.00 N ATOM 0 H GLN A 36 -9.593 0.797 -4.796 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.281 -0.719 -6.869 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.742 1.649 -7.184 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.840 2.064 -5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.030 2.300 -7.095 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.989 0.550 -7.178 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.922 1.750 -9.226 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.946 1.722 -10.665 1.00 0.00 H new ATOM 513 N ILE A 37 -6.894 -0.263 -3.954 1.00 0.00 N ATOM 514 CA ILE A 37 -5.793 -0.669 -3.098 1.00 0.00 C ATOM 515 C ILE A 37 -5.978 -2.133 -2.696 1.00 0.00 C ATOM 516 O ILE A 37 -5.003 -2.866 -2.539 1.00 0.00 O ATOM 517 CB ILE A 37 -5.660 0.283 -1.908 1.00 0.00 C ATOM 518 CG1 ILE A 37 -4.250 0.227 -1.315 1.00 0.00 C ATOM 519 CG2 ILE A 37 -6.735 0.001 -0.857 1.00 0.00 C ATOM 520 CD1 ILE A 37 -3.910 -1.189 -0.844 1.00 0.00 C ATOM 0 H ILE A 37 -7.639 0.246 -3.478 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.848 -0.603 -3.637 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.819 1.300 -2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.524 0.550 -2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.176 0.921 -0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.618 0.692 -0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.722 0.133 -1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.633 -1.023 -0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.903 -1.202 -0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.623 -1.499 -0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.961 -1.876 -1.689 1.00 0.00 H new ATOM 532 N SER A 38 -7.237 -2.516 -2.541 1.00 0.00 N ATOM 533 CA SER A 38 -7.563 -3.880 -2.160 1.00 0.00 C ATOM 534 C SER A 38 -6.924 -4.864 -3.142 1.00 0.00 C ATOM 535 O SER A 38 -6.244 -5.803 -2.730 1.00 0.00 O ATOM 536 CB SER A 38 -9.078 -4.090 -2.108 1.00 0.00 C ATOM 537 OG SER A 38 -9.425 -5.314 -1.467 1.00 0.00 O ATOM 0 H SER A 38 -8.044 -1.906 -2.672 1.00 0.00 H new ATOM 0 HA SER A 38 -7.164 -4.061 -1.162 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.541 -3.258 -1.577 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.480 -4.085 -3.121 1.00 0.00 H new ATOM 0 HG SER A 38 -10.400 -5.411 -1.452 1.00 0.00 H new ATOM 543 N ARG A 39 -7.165 -4.616 -4.420 1.00 0.00 N ATOM 544 CA ARG A 39 -6.622 -5.469 -5.464 1.00 0.00 C ATOM 545 C ARG A 39 -5.105 -5.598 -5.307 1.00 0.00 C ATOM 546 O ARG A 39 -4.539 -6.658 -5.569 1.00 0.00 O ATOM 547 CB ARG A 39 -6.939 -4.910 -6.853 1.00 0.00 C ATOM 548 CG ARG A 39 -7.581 -5.978 -7.740 1.00 0.00 C ATOM 549 CD ARG A 39 -8.802 -5.420 -8.473 1.00 0.00 C ATOM 550 NE ARG A 39 -10.015 -5.597 -7.644 1.00 0.00 N ATOM 551 CZ ARG A 39 -11.204 -5.047 -7.925 1.00 0.00 C ATOM 552 NH1 ARG A 39 -11.347 -4.281 -9.015 1.00 0.00 N ATOM 553 NH2 ARG A 39 -12.250 -5.261 -7.115 1.00 0.00 N ATOM 0 H ARG A 39 -7.729 -3.836 -4.757 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.086 -6.450 -5.366 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.611 -4.057 -6.761 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.024 -4.546 -7.320 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.852 -6.341 -8.464 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.877 -6.832 -7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.653 -4.363 -8.693 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.927 -5.929 -9.428 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.941 -6.174 -6.806 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.551 -4.117 -9.631 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.252 -3.862 -9.229 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.141 -5.843 -6.284 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.155 -4.842 -7.329 1.00 0.00 H new ATOM 567 N ILE A 40 -4.491 -4.504 -4.881 1.00 0.00 N ATOM 568 CA ILE A 40 -3.051 -4.481 -4.687 1.00 0.00 C ATOM 569 C ILE A 40 -2.687 -5.376 -3.500 1.00 0.00 C ATOM 570 O ILE A 40 -1.698 -6.106 -3.549 1.00 0.00 O ATOM 571 CB ILE A 40 -2.552 -3.042 -4.548 1.00 0.00 C ATOM 572 CG1 ILE A 40 -3.051 -2.174 -5.704 1.00 0.00 C ATOM 573 CG2 ILE A 40 -1.028 -3.001 -4.416 1.00 0.00 C ATOM 574 CD1 ILE A 40 -2.754 -0.695 -5.448 1.00 0.00 C ATOM 0 H ILE A 40 -4.964 -3.627 -4.665 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.542 -4.887 -5.561 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.966 -2.624 -3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.574 -2.489 -6.632 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.124 -2.316 -5.833 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.699 -1.966 -4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.724 -3.563 -3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.574 -3.444 -5.302 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.119 -0.100 -6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.252 -0.377 -4.532 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.678 -0.553 -5.344 1.00 0.00 H new ATOM 586 N GLN A 41 -3.507 -5.291 -2.462 1.00 0.00 N ATOM 587 CA GLN A 41 -3.283 -6.084 -1.265 1.00 0.00 C ATOM 588 C GLN A 41 -3.553 -7.562 -1.550 1.00 0.00 C ATOM 589 O GLN A 41 -2.862 -8.435 -1.028 1.00 0.00 O ATOM 590 CB GLN A 41 -4.146 -5.582 -0.106 1.00 0.00 C ATOM 591 CG GLN A 41 -3.554 -4.312 0.509 1.00 0.00 C ATOM 592 CD GLN A 41 -4.208 -3.999 1.856 1.00 0.00 C ATOM 593 OE1 GLN A 41 -3.775 -4.448 2.905 1.00 0.00 O ATOM 594 NE2 GLN A 41 -5.273 -3.207 1.769 1.00 0.00 N ATOM 0 H GLN A 41 -4.327 -4.685 -2.425 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.239 -5.976 -0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.157 -5.381 -0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.224 -6.357 0.656 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.479 -4.435 0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.697 -3.473 -0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.582 -2.866 0.859 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.781 -2.940 2.613 1.00 0.00 H new ATOM 603 N GLN A 42 -4.561 -7.798 -2.378 1.00 0.00 N ATOM 604 CA GLN A 42 -4.931 -9.156 -2.738 1.00 0.00 C ATOM 605 C GLN A 42 -3.978 -9.702 -3.803 1.00 0.00 C ATOM 606 O GLN A 42 -3.738 -10.906 -3.869 1.00 0.00 O ATOM 607 CB GLN A 42 -6.383 -9.220 -3.217 1.00 0.00 C ATOM 608 CG GLN A 42 -7.351 -9.227 -2.033 1.00 0.00 C ATOM 609 CD GLN A 42 -8.131 -10.542 -1.969 1.00 0.00 C ATOM 610 OE1 GLN A 42 -8.724 -10.990 -2.937 1.00 0.00 O ATOM 611 NE2 GLN A 42 -8.096 -11.134 -0.779 1.00 0.00 N ATOM 0 H GLN A 42 -5.132 -7.072 -2.809 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.848 -9.782 -1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.596 -8.366 -3.860 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.532 -10.117 -3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.797 -9.083 -1.105 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.046 -8.392 -2.122 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.580 -10.705 -0.011 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.585 -12.018 -0.634 1.00 0.00 H new ATOM 620 N GLU A 43 -3.460 -8.788 -4.611 1.00 0.00 N ATOM 621 CA GLU A 43 -2.538 -9.162 -5.670 1.00 0.00 C ATOM 622 C GLU A 43 -1.229 -9.685 -5.074 1.00 0.00 C ATOM 623 O GLU A 43 -0.780 -10.778 -5.415 1.00 0.00 O ATOM 624 CB GLU A 43 -2.280 -7.986 -6.613 1.00 0.00 C ATOM 625 CG GLU A 43 -3.187 -8.060 -7.843 1.00 0.00 C ATOM 626 CD GLU A 43 -2.460 -8.711 -9.022 1.00 0.00 C ATOM 627 OE1 GLU A 43 -1.390 -8.181 -9.392 1.00 0.00 O ATOM 628 OE2 GLU A 43 -2.992 -9.723 -9.527 1.00 0.00 O ATOM 0 H GLU A 43 -3.661 -7.790 -4.553 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.993 -9.961 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.452 -7.048 -6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.236 -7.989 -6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.084 -8.631 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.512 -7.057 -8.120 1.00 0.00 H new ATOM 635 N SER A 44 -0.653 -8.879 -4.194 1.00 0.00 N ATOM 636 CA SER A 44 0.595 -9.246 -3.547 1.00 0.00 C ATOM 637 C SER A 44 0.309 -9.980 -2.236 1.00 0.00 C ATOM 638 O SER A 44 1.223 -10.508 -1.604 1.00 0.00 O ATOM 639 CB SER A 44 1.464 -8.014 -3.287 1.00 0.00 C ATOM 640 OG SER A 44 0.708 -6.931 -2.752 1.00 0.00 O ATOM 0 H SER A 44 -1.028 -7.973 -3.914 1.00 0.00 H new ATOM 0 HA SER A 44 1.144 -9.910 -4.215 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.264 -8.274 -2.594 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.937 -7.701 -4.218 1.00 0.00 H new ATOM 0 HG SER A 44 0.080 -6.604 -3.430 1.00 0.00 H new ATOM 646 N GLY A 45 -0.963 -9.991 -1.866 1.00 0.00 N ATOM 647 CA GLY A 45 -1.381 -10.652 -0.642 1.00 0.00 C ATOM 648 C GLY A 45 -0.665 -10.059 0.573 1.00 0.00 C ATOM 649 O GLY A 45 -0.469 -10.742 1.578 1.00 0.00 O ATOM 0 H GLY A 45 -1.718 -9.552 -2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.459 -10.550 -0.519 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.168 -11.719 -0.709 1.00 0.00 H new ATOM 653 N CYS A 46 -0.294 -8.794 0.442 1.00 0.00 N ATOM 654 CA CYS A 46 0.396 -8.101 1.517 1.00 0.00 C ATOM 655 C CYS A 46 -0.554 -7.053 2.100 1.00 0.00 C ATOM 656 O CYS A 46 -1.468 -6.591 1.419 1.00 0.00 O ATOM 657 CB CYS A 46 1.708 -7.477 1.037 1.00 0.00 C ATOM 658 SG CYS A 46 3.039 -7.809 2.249 1.00 0.00 S ATOM 0 H CYS A 46 -0.458 -8.231 -0.392 1.00 0.00 H new ATOM 0 HA CYS A 46 0.672 -8.813 2.295 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.980 -7.886 0.064 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.583 -6.402 0.907 1.00 0.00 H new ATOM 0 HG CYS A 46 2.567 -7.691 3.455 1.00 0.00 H new ATOM 664 N LYS A 47 -0.306 -6.709 3.356 1.00 0.00 N ATOM 665 CA LYS A 47 -1.128 -5.725 4.039 1.00 0.00 C ATOM 666 C LYS A 47 -0.579 -4.325 3.757 1.00 0.00 C ATOM 667 O LYS A 47 0.632 -4.137 3.656 1.00 0.00 O ATOM 668 CB LYS A 47 -1.232 -6.056 5.529 1.00 0.00 C ATOM 669 CG LYS A 47 -2.536 -5.516 6.120 1.00 0.00 C ATOM 670 CD LYS A 47 -3.154 -6.521 7.094 1.00 0.00 C ATOM 671 CE LYS A 47 -4.506 -6.025 7.610 1.00 0.00 C ATOM 672 NZ LYS A 47 -4.943 -6.828 8.774 1.00 0.00 N ATOM 0 H LYS A 47 0.453 -7.095 3.918 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.149 -5.750 3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.184 -7.136 5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.382 -5.627 6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.344 -4.575 6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.242 -5.301 5.317 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.281 -7.483 6.597 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.478 -6.682 7.933 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.431 -4.975 7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.250 -6.089 6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.862 -6.478 9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.034 -7.825 8.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.240 -6.746 9.536 1.00 0.00 H new ATOM 686 N ILE A 48 -1.498 -3.378 3.636 1.00 0.00 N ATOM 687 CA ILE A 48 -1.121 -2.000 3.368 1.00 0.00 C ATOM 688 C ILE A 48 -1.947 -1.068 4.256 1.00 0.00 C ATOM 689 O ILE A 48 -3.134 -0.861 4.010 1.00 0.00 O ATOM 690 CB ILE A 48 -1.243 -1.693 1.874 1.00 0.00 C ATOM 691 CG1 ILE A 48 -0.287 -2.564 1.056 1.00 0.00 C ATOM 692 CG2 ILE A 48 -1.035 -0.202 1.602 1.00 0.00 C ATOM 693 CD1 ILE A 48 -0.791 -2.732 -0.379 1.00 0.00 C ATOM 0 H ILE A 48 -2.502 -3.537 3.719 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.073 -1.836 3.620 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.256 -1.940 1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.705 -2.112 1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.187 -3.542 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.127 -0.011 0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.788 0.374 2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.042 0.094 1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.094 -3.355 -0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.772 -3.206 -0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.867 -1.754 -0.855 1.00 0.00 H new ATOM 705 N GLN A 49 -1.286 -0.530 5.271 1.00 0.00 N ATOM 706 CA GLN A 49 -1.944 0.376 6.197 1.00 0.00 C ATOM 707 C GLN A 49 -1.596 1.827 5.858 1.00 0.00 C ATOM 708 O GLN A 49 -0.522 2.311 6.214 1.00 0.00 O ATOM 709 CB GLN A 49 -1.572 0.046 7.644 1.00 0.00 C ATOM 710 CG GLN A 49 -2.736 -0.634 8.368 1.00 0.00 C ATOM 711 CD GLN A 49 -2.317 -1.098 9.764 1.00 0.00 C ATOM 712 OE1 GLN A 49 -1.162 -1.391 10.029 1.00 0.00 O ATOM 713 NE2 GLN A 49 -3.316 -1.148 10.641 1.00 0.00 N ATOM 0 H GLN A 49 -0.301 -0.704 5.472 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.022 0.249 6.096 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.699 -0.606 7.659 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.296 0.960 8.170 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.574 0.059 8.447 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.082 -1.488 7.786 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.260 -0.889 10.354 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.138 -1.445 11.600 1.00 0.00 H new ATOM 722 N ILE A 50 -2.524 2.480 5.175 1.00 0.00 N ATOM 723 CA ILE A 50 -2.328 3.866 4.784 1.00 0.00 C ATOM 724 C ILE A 50 -3.017 4.780 5.800 1.00 0.00 C ATOM 725 O ILE A 50 -4.129 4.495 6.243 1.00 0.00 O ATOM 726 CB ILE A 50 -2.794 4.088 3.344 1.00 0.00 C ATOM 727 CG1 ILE A 50 -2.422 2.896 2.458 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.251 5.406 2.789 1.00 0.00 C ATOM 729 CD1 ILE A 50 -2.828 3.146 1.005 1.00 0.00 C ATOM 0 H ILE A 50 -3.413 2.076 4.882 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.268 4.118 4.794 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.881 4.163 3.344 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.348 2.718 2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.914 1.996 2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.597 5.539 1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.607 6.233 3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.161 5.386 2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.553 2.284 0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.906 3.300 0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.315 4.032 0.631 1.00 0.00 H new ATOM 741 N ALA A 51 -2.328 5.859 6.140 1.00 0.00 N ATOM 742 CA ALA A 51 -2.860 6.816 7.096 1.00 0.00 C ATOM 743 C ALA A 51 -4.097 7.491 6.500 1.00 0.00 C ATOM 744 O ALA A 51 -4.240 7.568 5.281 1.00 0.00 O ATOM 745 CB ALA A 51 -1.770 7.823 7.470 1.00 0.00 C ATOM 0 H ALA A 51 -1.406 6.092 5.771 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.168 6.313 8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.168 8.541 8.187 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.925 7.297 7.915 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.439 8.350 6.575 1.00 0.00 H new ATOM 751 N PRO A 52 -4.983 7.975 7.412 1.00 0.00 N ATOM 752 CA PRO A 52 -6.203 8.640 6.990 1.00 0.00 C ATOM 753 C PRO A 52 -5.909 10.051 6.476 1.00 0.00 C ATOM 754 O PRO A 52 -6.481 10.484 5.477 1.00 0.00 O ATOM 755 CB PRO A 52 -7.101 8.630 8.216 1.00 0.00 C ATOM 756 CG PRO A 52 -6.185 8.379 9.402 1.00 0.00 C ATOM 757 CD PRO A 52 -4.846 7.901 8.864 1.00 0.00 C ATOM 0 HA PRO A 52 -6.688 8.137 6.153 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.627 9.579 8.323 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.860 7.852 8.138 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.058 9.291 9.986 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.618 7.632 10.067 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.029 8.531 9.217 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.628 6.884 9.190 1.00 0.00 H new ATOM 765 N ASP A 53 -5.016 10.729 7.183 1.00 0.00 N ATOM 766 CA ASP A 53 -4.639 12.082 6.811 1.00 0.00 C ATOM 767 C ASP A 53 -3.121 12.236 6.933 1.00 0.00 C ATOM 768 O ASP A 53 -2.581 12.235 8.038 1.00 0.00 O ATOM 769 CB ASP A 53 -5.294 13.111 7.734 1.00 0.00 C ATOM 770 CG ASP A 53 -6.665 13.611 7.275 1.00 0.00 C ATOM 771 OD1 ASP A 53 -7.549 12.749 7.082 1.00 0.00 O ATOM 772 OD2 ASP A 53 -6.798 14.845 7.127 1.00 0.00 O ATOM 0 H ASP A 53 -4.543 10.367 8.011 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.971 12.254 5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.397 12.673 8.727 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.626 13.967 7.832 1.00 0.00 H new ATOM 777 N SER A 54 -2.477 12.363 5.783 1.00 0.00 N ATOM 778 CA SER A 54 -1.032 12.517 5.748 1.00 0.00 C ATOM 779 C SER A 54 -0.601 13.632 6.703 1.00 0.00 C ATOM 780 O SER A 54 0.478 13.569 7.290 1.00 0.00 O ATOM 781 CB SER A 54 -0.545 12.817 4.329 1.00 0.00 C ATOM 782 OG SER A 54 -0.943 14.113 3.890 1.00 0.00 O ATOM 0 H SER A 54 -2.928 12.363 4.868 1.00 0.00 H new ATOM 0 HA SER A 54 -0.580 11.578 6.068 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.542 12.741 4.295 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.939 12.066 3.644 1.00 0.00 H new ATOM 0 HG SER A 54 -0.611 14.267 2.981 1.00 0.00 H new ATOM 788 N GLY A 55 -1.467 14.627 6.830 1.00 0.00 N ATOM 789 CA GLY A 55 -1.190 15.754 7.704 1.00 0.00 C ATOM 790 C GLY A 55 -0.598 16.925 6.917 1.00 0.00 C ATOM 791 O GLY A 55 -0.006 17.833 7.500 1.00 0.00 O ATOM 0 H GLY A 55 -2.361 14.676 6.342 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.109 16.070 8.198 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.496 15.449 8.487 1.00 0.00 H new ATOM 795 N GLY A 56 -0.779 16.867 5.606 1.00 0.00 N ATOM 796 CA GLY A 56 -0.270 17.912 4.734 1.00 0.00 C ATOM 797 C GLY A 56 1.114 17.548 4.191 1.00 0.00 C ATOM 798 O GLY A 56 1.747 18.350 3.508 1.00 0.00 O ATOM 0 H GLY A 56 -1.271 16.113 5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.961 18.067 3.905 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.214 18.852 5.282 1.00 0.00 H new ATOM 802 N LEU A 57 1.542 16.337 4.516 1.00 0.00 N ATOM 803 CA LEU A 57 2.838 15.857 4.070 1.00 0.00 C ATOM 804 C LEU A 57 2.798 15.623 2.559 1.00 0.00 C ATOM 805 O LEU A 57 1.732 15.389 1.991 1.00 0.00 O ATOM 806 CB LEU A 57 3.258 14.623 4.872 1.00 0.00 C ATOM 807 CG LEU A 57 3.936 14.896 6.217 1.00 0.00 C ATOM 808 CD1 LEU A 57 5.176 15.773 6.037 1.00 0.00 C ATOM 809 CD2 LEU A 57 2.948 15.499 7.217 1.00 0.00 C ATOM 0 H LEU A 57 1.014 15.674 5.083 1.00 0.00 H new ATOM 0 HA LEU A 57 3.606 16.607 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.373 14.012 5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.937 14.030 4.259 1.00 0.00 H new ATOM 0 HG LEU A 57 4.271 13.945 6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.639 15.952 7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.887 15.268 5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.887 16.725 5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.455 15.683 8.164 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.561 16.439 6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.123 14.805 7.377 1.00 0.00 H new ATOM 821 N PRO A 58 4.004 15.696 1.934 1.00 0.00 N ATOM 822 CA PRO A 58 4.117 15.495 0.499 1.00 0.00 C ATOM 823 C PRO A 58 3.982 14.013 0.141 1.00 0.00 C ATOM 824 O PRO A 58 3.616 13.674 -0.983 1.00 0.00 O ATOM 825 CB PRO A 58 5.471 16.075 0.126 1.00 0.00 C ATOM 826 CG PRO A 58 6.261 16.158 1.422 1.00 0.00 C ATOM 827 CD PRO A 58 5.287 15.971 2.574 1.00 0.00 C ATOM 0 HA PRO A 58 3.321 15.987 -0.059 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.980 15.442 -0.601 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.362 17.060 -0.329 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.034 15.390 1.448 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.765 17.121 1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.592 15.148 3.220 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.235 16.864 3.198 1.00 0.00 H new ATOM 835 N GLU A 59 4.285 13.171 1.118 1.00 0.00 N ATOM 836 CA GLU A 59 4.202 11.734 0.919 1.00 0.00 C ATOM 837 C GLU A 59 3.443 11.082 2.076 1.00 0.00 C ATOM 838 O GLU A 59 3.707 11.376 3.241 1.00 0.00 O ATOM 839 CB GLU A 59 5.595 11.121 0.763 1.00 0.00 C ATOM 840 CG GLU A 59 6.325 11.719 -0.443 1.00 0.00 C ATOM 841 CD GLU A 59 7.587 12.464 -0.005 1.00 0.00 C ATOM 842 OE1 GLU A 59 8.265 11.945 0.908 1.00 0.00 O ATOM 843 OE2 GLU A 59 7.846 13.536 -0.594 1.00 0.00 O ATOM 0 H GLU A 59 4.588 13.456 2.049 1.00 0.00 H new ATOM 0 HA GLU A 59 3.653 11.545 -0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.177 11.296 1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.510 10.041 0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.591 10.926 -1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.661 12.402 -0.973 1.00 0.00 H new ATOM 850 N ARG A 60 2.515 10.208 1.715 1.00 0.00 N ATOM 851 CA ARG A 60 1.716 9.511 2.709 1.00 0.00 C ATOM 852 C ARG A 60 2.333 8.147 3.026 1.00 0.00 C ATOM 853 O ARG A 60 2.406 7.278 2.158 1.00 0.00 O ATOM 854 CB ARG A 60 0.280 9.312 2.219 1.00 0.00 C ATOM 855 CG ARG A 60 -0.467 8.313 3.105 1.00 0.00 C ATOM 856 CD ARG A 60 -1.780 8.909 3.617 1.00 0.00 C ATOM 857 NE ARG A 60 -2.857 8.688 2.626 1.00 0.00 N ATOM 858 CZ ARG A 60 -4.132 9.057 2.808 1.00 0.00 C ATOM 859 NH1 ARG A 60 -4.498 9.666 3.944 1.00 0.00 N ATOM 860 NH2 ARG A 60 -5.042 8.816 1.854 1.00 0.00 N ATOM 0 H ARG A 60 2.298 9.966 0.748 1.00 0.00 H new ATOM 0 HA ARG A 60 1.700 10.124 3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.244 10.268 2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.289 8.955 1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.672 7.403 2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.161 8.029 3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.050 8.451 4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.657 9.976 3.801 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.613 8.226 1.750 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.806 9.849 4.671 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.469 9.947 4.082 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.764 8.352 0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.013 9.097 1.993 1.00 0.00 H new ATOM 874 N SER A 61 2.763 8.003 4.271 1.00 0.00 N ATOM 875 CA SER A 61 3.372 6.760 4.713 1.00 0.00 C ATOM 876 C SER A 61 2.355 5.620 4.627 1.00 0.00 C ATOM 877 O SER A 61 1.176 5.811 4.922 1.00 0.00 O ATOM 878 CB SER A 61 3.908 6.886 6.140 1.00 0.00 C ATOM 879 OG SER A 61 4.432 5.653 6.625 1.00 0.00 O ATOM 0 H SER A 61 2.702 8.726 4.987 1.00 0.00 H new ATOM 0 HA SER A 61 4.213 6.539 4.056 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.688 7.647 6.168 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.108 7.224 6.799 1.00 0.00 H new ATOM 0 HG SER A 61 4.766 5.776 7.538 1.00 0.00 H new ATOM 885 N CYS A 62 2.849 4.459 4.221 1.00 0.00 N ATOM 886 CA CYS A 62 1.998 3.288 4.093 1.00 0.00 C ATOM 887 C CYS A 62 2.698 2.109 4.772 1.00 0.00 C ATOM 888 O CYS A 62 3.702 1.606 4.271 1.00 0.00 O ATOM 889 CB CYS A 62 1.665 2.988 2.630 1.00 0.00 C ATOM 890 SG CYS A 62 0.616 4.320 1.941 1.00 0.00 S ATOM 0 H CYS A 62 3.827 4.304 3.977 1.00 0.00 H new ATOM 0 HA CYS A 62 1.043 3.474 4.584 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.584 2.901 2.050 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.148 2.031 2.555 1.00 0.00 H new ATOM 0 HG CYS A 62 1.236 5.458 2.045 1.00 0.00 H new ATOM 896 N MET A 63 2.139 1.702 5.903 1.00 0.00 N ATOM 897 CA MET A 63 2.697 0.592 6.656 1.00 0.00 C ATOM 898 C MET A 63 2.327 -0.747 6.014 1.00 0.00 C ATOM 899 O MET A 63 1.152 -1.105 5.949 1.00 0.00 O ATOM 900 CB MET A 63 2.170 0.633 8.091 1.00 0.00 C ATOM 901 CG MET A 63 2.703 1.858 8.837 1.00 0.00 C ATOM 902 SD MET A 63 3.282 1.383 10.457 1.00 0.00 S ATOM 903 CE MET A 63 5.005 1.085 10.095 1.00 0.00 C ATOM 0 H MET A 63 1.306 2.121 6.316 1.00 0.00 H new ATOM 0 HA MET A 63 3.783 0.686 6.655 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.080 0.655 8.081 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.466 -0.275 8.617 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.515 2.314 8.271 1.00 0.00 H new ATOM 0 HG3 MET A 63 1.918 2.608 8.928 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.512 0.743 10.997 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.087 0.322 9.321 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.468 2.008 9.746 1.00 0.00 H new ATOM 913 N LEU A 64 3.353 -1.450 5.555 1.00 0.00 N ATOM 914 CA LEU A 64 3.150 -2.741 4.920 1.00 0.00 C ATOM 915 C LEU A 64 3.513 -3.852 5.908 1.00 0.00 C ATOM 916 O LEU A 64 4.412 -3.687 6.730 1.00 0.00 O ATOM 917 CB LEU A 64 3.921 -2.816 3.600 1.00 0.00 C ATOM 918 CG LEU A 64 3.517 -1.801 2.529 1.00 0.00 C ATOM 919 CD1 LEU A 64 4.647 -0.804 2.264 1.00 0.00 C ATOM 920 CD2 LEU A 64 3.062 -2.505 1.250 1.00 0.00 C ATOM 0 H LEU A 64 4.326 -1.150 5.610 1.00 0.00 H new ATOM 0 HA LEU A 64 2.101 -2.876 4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.982 -2.686 3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.799 -3.818 3.187 1.00 0.00 H new ATOM 0 HG LEU A 64 2.666 -1.231 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.334 -0.094 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.882 -0.267 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.532 -1.340 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.781 -1.760 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.877 -3.117 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.204 -3.140 1.470 1.00 0.00 H new ATOM 932 N THR A 65 2.794 -4.959 5.793 1.00 0.00 N ATOM 933 CA THR A 65 3.028 -6.097 6.666 1.00 0.00 C ATOM 934 C THR A 65 2.817 -7.407 5.903 1.00 0.00 C ATOM 935 O THR A 65 1.771 -7.609 5.288 1.00 0.00 O ATOM 936 CB THR A 65 2.119 -5.952 7.887 1.00 0.00 C ATOM 937 OG1 THR A 65 2.402 -4.644 8.377 1.00 0.00 O ATOM 938 CG2 THR A 65 2.528 -6.877 9.035 1.00 0.00 C ATOM 0 H THR A 65 2.049 -5.092 5.109 1.00 0.00 H new ATOM 0 HA THR A 65 4.061 -6.122 7.014 1.00 0.00 H new ATOM 0 HB THR A 65 1.089 -6.164 7.600 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.854 -4.466 9.169 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.850 -6.734 9.877 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.479 -7.914 8.702 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.546 -6.643 9.345 1.00 0.00 H new ATOM 946 N GLY A 66 3.827 -8.262 5.968 1.00 0.00 N ATOM 947 CA GLY A 66 3.765 -9.546 5.291 1.00 0.00 C ATOM 948 C GLY A 66 5.145 -9.964 4.780 1.00 0.00 C ATOM 949 O GLY A 66 6.149 -9.331 5.105 1.00 0.00 O ATOM 0 H GLY A 66 4.693 -8.091 6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.382 -10.303 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.067 -9.488 4.456 1.00 0.00 H new ATOM 953 N THR A 67 5.152 -11.027 3.990 1.00 0.00 N ATOM 954 CA THR A 67 6.393 -11.537 3.432 1.00 0.00 C ATOM 955 C THR A 67 7.191 -10.405 2.783 1.00 0.00 C ATOM 956 O THR A 67 6.643 -9.344 2.488 1.00 0.00 O ATOM 957 CB THR A 67 6.045 -12.669 2.463 1.00 0.00 C ATOM 958 OG1 THR A 67 5.044 -12.107 1.618 1.00 0.00 O ATOM 959 CG2 THR A 67 5.337 -13.836 3.154 1.00 0.00 C ATOM 0 H THR A 67 4.318 -11.550 3.723 1.00 0.00 H new ATOM 0 HA THR A 67 7.040 -11.943 4.210 1.00 0.00 H new ATOM 0 HB THR A 67 6.956 -13.030 1.985 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.365 -12.097 0.692 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.113 -14.611 2.421 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.984 -14.246 3.930 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.409 -13.483 3.604 1.00 0.00 H new ATOM 967 N PRO A 68 8.507 -10.676 2.575 1.00 0.00 N ATOM 968 CA PRO A 68 9.387 -9.692 1.966 1.00 0.00 C ATOM 969 C PRO A 68 9.134 -9.588 0.461 1.00 0.00 C ATOM 970 O PRO A 68 9.215 -8.502 -0.112 1.00 0.00 O ATOM 971 CB PRO A 68 10.793 -10.161 2.301 1.00 0.00 C ATOM 972 CG PRO A 68 10.664 -11.627 2.681 1.00 0.00 C ATOM 973 CD PRO A 68 9.191 -11.921 2.911 1.00 0.00 C ATOM 0 HA PRO A 68 9.217 -8.684 2.344 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.460 -10.036 1.448 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.213 -9.580 3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.061 -12.263 1.890 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.241 -11.840 3.581 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.849 -12.743 2.282 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.002 -12.210 3.945 1.00 0.00 H new ATOM 981 N GLU A 69 8.833 -10.731 -0.137 1.00 0.00 N ATOM 982 CA GLU A 69 8.567 -10.782 -1.565 1.00 0.00 C ATOM 983 C GLU A 69 7.210 -10.148 -1.876 1.00 0.00 C ATOM 984 O GLU A 69 6.970 -9.705 -2.998 1.00 0.00 O ATOM 985 CB GLU A 69 8.633 -12.220 -2.084 1.00 0.00 C ATOM 986 CG GLU A 69 9.592 -12.332 -3.270 1.00 0.00 C ATOM 987 CD GLU A 69 8.824 -12.405 -4.591 1.00 0.00 C ATOM 988 OE1 GLU A 69 8.300 -13.502 -4.883 1.00 0.00 O ATOM 989 OE2 GLU A 69 8.778 -11.363 -5.280 1.00 0.00 O ATOM 0 H GLU A 69 8.767 -11.630 0.341 1.00 0.00 H new ATOM 0 HA GLU A 69 9.339 -10.209 -2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.960 -12.884 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.638 -12.548 -2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.263 -11.473 -3.282 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.214 -13.220 -3.157 1.00 0.00 H new ATOM 996 N SER A 70 6.358 -10.125 -0.862 1.00 0.00 N ATOM 997 CA SER A 70 5.031 -9.553 -1.013 1.00 0.00 C ATOM 998 C SER A 70 5.104 -8.028 -0.911 1.00 0.00 C ATOM 999 O SER A 70 4.460 -7.319 -1.683 1.00 0.00 O ATOM 1000 CB SER A 70 4.068 -10.109 0.038 1.00 0.00 C ATOM 1001 OG SER A 70 3.687 -11.453 -0.245 1.00 0.00 O ATOM 0 H SER A 70 6.561 -10.493 0.067 1.00 0.00 H new ATOM 0 HA SER A 70 4.650 -9.828 -1.997 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.538 -10.065 1.020 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.178 -9.481 0.082 1.00 0.00 H new ATOM 0 HG SER A 70 3.665 -11.969 0.588 1.00 0.00 H new ATOM 1007 N VAL A 71 5.894 -7.568 0.048 1.00 0.00 N ATOM 1008 CA VAL A 71 6.060 -6.140 0.261 1.00 0.00 C ATOM 1009 C VAL A 71 6.528 -5.486 -1.041 1.00 0.00 C ATOM 1010 O VAL A 71 6.010 -4.443 -1.437 1.00 0.00 O ATOM 1011 CB VAL A 71 7.014 -5.893 1.431 1.00 0.00 C ATOM 1012 CG1 VAL A 71 7.155 -4.396 1.716 1.00 0.00 C ATOM 1013 CG2 VAL A 71 6.556 -6.648 2.680 1.00 0.00 C ATOM 0 H VAL A 71 6.426 -8.159 0.686 1.00 0.00 H new ATOM 0 HA VAL A 71 5.109 -5.681 0.532 1.00 0.00 H new ATOM 0 HB VAL A 71 7.996 -6.275 1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.838 -4.248 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.548 -3.893 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.179 -3.980 1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.251 -6.455 3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.559 -6.310 2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.530 -7.717 2.470 1.00 0.00 H new ATOM 1023 N GLN A 72 7.502 -6.126 -1.670 1.00 0.00 N ATOM 1024 CA GLN A 72 8.046 -5.619 -2.919 1.00 0.00 C ATOM 1025 C GLN A 72 6.983 -5.665 -4.018 1.00 0.00 C ATOM 1026 O GLN A 72 6.721 -4.659 -4.676 1.00 0.00 O ATOM 1027 CB GLN A 72 9.294 -6.402 -3.331 1.00 0.00 C ATOM 1028 CG GLN A 72 10.561 -5.574 -3.102 1.00 0.00 C ATOM 1029 CD GLN A 72 11.045 -5.701 -1.657 1.00 0.00 C ATOM 1030 OE1 GLN A 72 11.474 -4.559 -1.127 1.00 0.00 O flip ATOM 1031 NE2 GLN A 72 11.031 -6.766 -1.061 1.00 0.00 N flip ATOM 0 H GLN A 72 7.929 -6.991 -1.339 1.00 0.00 H new ATOM 0 HA GLN A 72 8.341 -4.581 -2.769 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.352 -7.328 -2.759 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.222 -6.681 -4.382 1.00 0.00 H new ATOM 0 HG2 GLN A 72 11.345 -5.907 -3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.362 -4.527 -3.332 1.00 0.00 H new ATOM 0 HE21 GLN A 72 10.689 -7.606 -1.527 1.00 0.00 H new ATOM 0 HE22 GLN A 72 11.362 -6.816 -0.097 1.00 0.00 H new ATOM 1040 N SER A 73 6.398 -6.842 -4.183 1.00 0.00 N ATOM 1041 CA SER A 73 5.369 -7.032 -5.191 1.00 0.00 C ATOM 1042 C SER A 73 4.318 -5.926 -5.081 1.00 0.00 C ATOM 1043 O SER A 73 4.042 -5.227 -6.055 1.00 0.00 O ATOM 1044 CB SER A 73 4.710 -8.406 -5.054 1.00 0.00 C ATOM 1045 OG SER A 73 5.665 -9.463 -5.091 1.00 0.00 O ATOM 0 H SER A 73 6.617 -7.674 -3.635 1.00 0.00 H new ATOM 0 HA SER A 73 5.839 -6.981 -6.173 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.156 -8.450 -4.116 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.987 -8.543 -5.858 1.00 0.00 H new ATOM 0 HG SER A 73 5.876 -9.746 -4.177 1.00 0.00 H new ATOM 1051 N ALA A 74 3.759 -5.801 -3.886 1.00 0.00 N ATOM 1052 CA ALA A 74 2.745 -4.791 -3.636 1.00 0.00 C ATOM 1053 C ALA A 74 3.321 -3.408 -3.943 1.00 0.00 C ATOM 1054 O ALA A 74 2.667 -2.587 -4.583 1.00 0.00 O ATOM 1055 CB ALA A 74 2.251 -4.910 -2.193 1.00 0.00 C ATOM 0 H ALA A 74 3.989 -6.383 -3.080 1.00 0.00 H new ATOM 0 HA ALA A 74 1.885 -4.941 -4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.490 -4.152 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.824 -5.900 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.087 -4.762 -1.509 1.00 0.00 H new ATOM 1061 N LYS A 75 4.541 -3.192 -3.472 1.00 0.00 N ATOM 1062 CA LYS A 75 5.213 -1.922 -3.688 1.00 0.00 C ATOM 1063 C LYS A 75 5.111 -1.541 -5.167 1.00 0.00 C ATOM 1064 O LYS A 75 4.702 -0.430 -5.498 1.00 0.00 O ATOM 1065 CB LYS A 75 6.650 -1.981 -3.167 1.00 0.00 C ATOM 1066 CG LYS A 75 6.738 -1.440 -1.738 1.00 0.00 C ATOM 1067 CD LYS A 75 8.191 -1.369 -1.267 1.00 0.00 C ATOM 1068 CE LYS A 75 8.793 -2.770 -1.135 1.00 0.00 C ATOM 1069 NZ LYS A 75 9.662 -2.850 0.061 1.00 0.00 N ATOM 0 H LYS A 75 5.081 -3.875 -2.942 1.00 0.00 H new ATOM 0 HA LYS A 75 4.724 -1.131 -3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.008 -3.010 -3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.302 -1.401 -3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.288 -0.448 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.165 -2.080 -1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.778 -0.782 -1.973 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.241 -0.856 -0.307 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.996 -3.510 -1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.370 -3.010 -2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.325 -3.644 -0.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.197 -1.964 0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.076 -2.998 0.907 1.00 0.00 H new ATOM 1083 N ARG A 76 5.489 -2.485 -6.016 1.00 0.00 N ATOM 1084 CA ARG A 76 5.445 -2.262 -7.451 1.00 0.00 C ATOM 1085 C ARG A 76 4.058 -1.770 -7.869 1.00 0.00 C ATOM 1086 O ARG A 76 3.932 -0.727 -8.508 1.00 0.00 O ATOM 1087 CB ARG A 76 5.776 -3.544 -8.218 1.00 0.00 C ATOM 1088 CG ARG A 76 7.289 -3.747 -8.320 1.00 0.00 C ATOM 1089 CD ARG A 76 7.763 -3.620 -9.769 1.00 0.00 C ATOM 1090 NE ARG A 76 8.965 -4.456 -9.983 1.00 0.00 N ATOM 1091 CZ ARG A 76 9.663 -4.489 -11.127 1.00 0.00 C ATOM 1092 NH1 ARG A 76 9.282 -3.733 -12.166 1.00 0.00 N ATOM 1093 NH2 ARG A 76 10.741 -5.278 -11.232 1.00 0.00 N ATOM 0 H ARG A 76 5.827 -3.406 -5.738 1.00 0.00 H new ATOM 0 HA ARG A 76 6.191 -1.505 -7.692 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.324 -4.399 -7.716 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.344 -3.496 -9.217 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.801 -3.011 -7.700 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.555 -4.730 -7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.969 -3.929 -10.449 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.989 -2.578 -9.996 1.00 0.00 H new ATOM 0 HE ARG A 76 9.282 -5.044 -9.212 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.461 -3.133 -12.086 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.813 -3.758 -13.037 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.031 -5.854 -10.441 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.272 -5.303 -12.103 1.00 0.00 H new ATOM 1107 N LEU A 77 3.051 -2.544 -7.491 1.00 0.00 N ATOM 1108 CA LEU A 77 1.678 -2.200 -7.819 1.00 0.00 C ATOM 1109 C LEU A 77 1.414 -0.745 -7.425 1.00 0.00 C ATOM 1110 O LEU A 77 0.858 0.023 -8.209 1.00 0.00 O ATOM 1111 CB LEU A 77 0.709 -3.196 -7.180 1.00 0.00 C ATOM 1112 CG LEU A 77 0.646 -4.581 -7.829 1.00 0.00 C ATOM 1113 CD1 LEU A 77 0.233 -5.645 -6.810 1.00 0.00 C ATOM 1114 CD2 LEU A 77 -0.274 -4.572 -9.052 1.00 0.00 C ATOM 0 H LEU A 77 3.159 -3.408 -6.960 1.00 0.00 H new ATOM 0 HA LEU A 77 1.512 -2.275 -8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.984 -3.320 -6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.291 -2.762 -7.198 1.00 0.00 H new ATOM 0 HG LEU A 77 1.645 -4.840 -8.179 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.196 -6.620 -7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.959 -5.672 -5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.751 -5.402 -6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.301 -5.568 -9.494 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.280 -4.282 -8.748 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.103 -3.859 -9.786 1.00 0.00 H new ATOM 1126 N LEU A 78 1.824 -0.411 -6.210 1.00 0.00 N ATOM 1127 CA LEU A 78 1.639 0.938 -5.703 1.00 0.00 C ATOM 1128 C LEU A 78 2.316 1.932 -6.648 1.00 0.00 C ATOM 1129 O LEU A 78 1.642 2.684 -7.350 1.00 0.00 O ATOM 1130 CB LEU A 78 2.125 1.037 -4.255 1.00 0.00 C ATOM 1131 CG LEU A 78 1.353 0.204 -3.230 1.00 0.00 C ATOM 1132 CD1 LEU A 78 1.991 0.312 -1.844 1.00 0.00 C ATOM 1133 CD2 LEU A 78 -0.127 0.591 -3.212 1.00 0.00 C ATOM 0 H LEU A 78 2.283 -1.051 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 78 0.580 1.193 -5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.172 0.737 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.084 2.082 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 78 1.408 -0.843 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.423 -0.289 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.018 -0.051 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.987 1.353 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.653 -0.016 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.224 1.645 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.560 0.420 -4.198 1.00 0.00 H new ATOM 1145 N ASP A 79 3.641 1.902 -6.636 1.00 0.00 N ATOM 1146 CA ASP A 79 4.417 2.792 -7.484 1.00 0.00 C ATOM 1147 C ASP A 79 3.754 2.884 -8.860 1.00 0.00 C ATOM 1148 O ASP A 79 3.502 3.980 -9.359 1.00 0.00 O ATOM 1149 CB ASP A 79 5.839 2.264 -7.679 1.00 0.00 C ATOM 1150 CG ASP A 79 6.725 3.114 -8.592 1.00 0.00 C ATOM 1151 OD1 ASP A 79 6.244 4.191 -9.007 1.00 0.00 O ATOM 1152 OD2 ASP A 79 7.863 2.668 -8.855 1.00 0.00 O ATOM 0 H ASP A 79 4.197 1.276 -6.053 1.00 0.00 H new ATOM 0 HA ASP A 79 4.458 3.769 -7.001 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.318 2.186 -6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.783 1.255 -8.089 1.00 0.00 H new ATOM 1157 N GLN A 80 3.491 1.720 -9.434 1.00 0.00 N ATOM 1158 CA GLN A 80 2.862 1.656 -10.743 1.00 0.00 C ATOM 1159 C GLN A 80 1.791 2.741 -10.871 1.00 0.00 C ATOM 1160 O GLN A 80 1.915 3.647 -11.693 1.00 0.00 O ATOM 1161 CB GLN A 80 2.271 0.268 -11.000 1.00 0.00 C ATOM 1162 CG GLN A 80 2.757 -0.296 -12.336 1.00 0.00 C ATOM 1163 CD GLN A 80 1.734 -0.039 -13.444 1.00 0.00 C ATOM 1164 OE1 GLN A 80 1.566 1.070 -13.924 1.00 0.00 O ATOM 1165 NE2 GLN A 80 1.063 -1.123 -13.823 1.00 0.00 N ATOM 0 H GLN A 80 3.702 0.813 -9.017 1.00 0.00 H new ATOM 0 HA GLN A 80 3.625 1.836 -11.500 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.554 -0.407 -10.192 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.183 0.327 -11.000 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.710 0.161 -12.603 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.933 -1.367 -12.240 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.253 -2.022 -13.379 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.358 -1.056 -14.557 1.00 0.00 H new ATOM 1174 N ILE A 81 0.763 2.613 -10.045 1.00 0.00 N ATOM 1175 CA ILE A 81 -0.329 3.571 -10.055 1.00 0.00 C ATOM 1176 C ILE A 81 0.240 4.985 -10.186 1.00 0.00 C ATOM 1177 O ILE A 81 -0.091 5.707 -11.124 1.00 0.00 O ATOM 1178 CB ILE A 81 -1.223 3.378 -8.828 1.00 0.00 C ATOM 1179 CG1 ILE A 81 -2.149 2.174 -9.008 1.00 0.00 C ATOM 1180 CG2 ILE A 81 -2.000 4.657 -8.510 1.00 0.00 C ATOM 1181 CD1 ILE A 81 -2.761 1.748 -7.672 1.00 0.00 C ATOM 0 H ILE A 81 0.663 1.860 -9.364 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.973 3.405 -10.918 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.585 3.167 -7.970 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.943 2.423 -9.712 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.591 1.342 -9.438 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.628 4.493 -7.634 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.300 5.468 -8.308 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.627 4.923 -9.361 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.415 0.890 -7.828 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.966 1.476 -6.978 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.339 2.574 -7.257 1.00 0.00 H new ATOM 1193 N VAL A 82 1.087 5.338 -9.229 1.00 0.00 N ATOM 1194 CA VAL A 82 1.705 6.653 -9.225 1.00 0.00 C ATOM 1195 C VAL A 82 2.254 6.958 -10.621 1.00 0.00 C ATOM 1196 O VAL A 82 2.122 8.078 -11.113 1.00 0.00 O ATOM 1197 CB VAL A 82 2.775 6.725 -8.134 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.554 8.039 -8.215 1.00 0.00 C ATOM 1199 CG2 VAL A 82 2.156 6.539 -6.747 1.00 0.00 C ATOM 0 H VAL A 82 1.359 4.736 -8.452 1.00 0.00 H new ATOM 0 HA VAL A 82 0.968 7.421 -8.990 1.00 0.00 H new ATOM 0 HB VAL A 82 3.478 5.909 -8.300 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.308 8.064 -7.428 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.041 8.114 -9.187 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.869 8.877 -8.087 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.938 6.594 -5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.421 7.324 -6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.668 5.566 -6.694 1.00 0.00 H new ATOM 1209 N GLU A 83 2.858 5.942 -11.219 1.00 0.00 N ATOM 1210 CA GLU A 83 3.428 6.087 -12.548 1.00 0.00 C ATOM 1211 C GLU A 83 2.315 6.172 -13.595 1.00 0.00 C ATOM 1212 O GLU A 83 2.156 7.198 -14.255 1.00 0.00 O ATOM 1213 CB GLU A 83 4.389 4.940 -12.861 1.00 0.00 C ATOM 1214 CG GLU A 83 5.843 5.416 -12.825 1.00 0.00 C ATOM 1215 CD GLU A 83 6.786 4.271 -12.451 1.00 0.00 C ATOM 1216 OE1 GLU A 83 6.963 3.379 -13.308 1.00 0.00 O ATOM 1217 OE2 GLU A 83 7.309 4.314 -11.316 1.00 0.00 O ATOM 0 H GLU A 83 2.965 5.015 -10.808 1.00 0.00 H new ATOM 0 HA GLU A 83 4.001 7.014 -12.578 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.248 4.136 -12.139 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.162 4.529 -13.845 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.122 5.818 -13.799 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.946 6.227 -12.104 1.00 0.00 H new ATOM 1224 N LYS A 84 1.575 5.080 -13.715 1.00 0.00 N ATOM 1225 CA LYS A 84 0.482 5.019 -14.671 1.00 0.00 C ATOM 1226 C LYS A 84 -0.267 6.353 -14.670 1.00 0.00 C ATOM 1227 O LYS A 84 -0.620 6.871 -15.728 1.00 0.00 O ATOM 1228 CB LYS A 84 -0.413 3.811 -14.385 1.00 0.00 C ATOM 1229 CG LYS A 84 -0.846 3.129 -15.685 1.00 0.00 C ATOM 1230 CD LYS A 84 -2.369 3.156 -15.836 1.00 0.00 C ATOM 1231 CE LYS A 84 -2.781 2.871 -17.281 1.00 0.00 C ATOM 1232 NZ LYS A 84 -3.732 3.898 -17.761 1.00 0.00 N ATOM 0 H LYS A 84 1.710 4.231 -13.167 1.00 0.00 H new ATOM 0 HA LYS A 84 0.867 4.870 -15.680 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.122 3.098 -13.757 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.293 4.130 -13.827 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.383 3.631 -16.535 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.494 2.097 -15.694 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.817 2.415 -15.173 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.751 4.130 -15.530 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.899 2.857 -17.921 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.239 1.884 -17.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.001 3.689 -18.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.581 3.893 -17.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.283 4.835 -17.717 1.00 0.00 H new ATOM 1246 N GLY A 85 -0.487 6.870 -13.471 1.00 0.00 N ATOM 1247 CA GLY A 85 -1.188 8.134 -13.318 1.00 0.00 C ATOM 1248 C GLY A 85 -0.315 9.304 -13.776 1.00 0.00 C ATOM 1249 O GLY A 85 -0.759 10.149 -14.552 1.00 0.00 O ATOM 0 H GLY A 85 -0.192 6.437 -12.596 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.110 8.115 -13.898 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.471 8.273 -12.275 1.00 0.00 H new ATOM 1253 N ARG A 86 0.913 9.316 -13.277 1.00 0.00 N ATOM 1254 CA ARG A 86 1.852 10.368 -13.625 1.00 0.00 C ATOM 1255 C ARG A 86 1.772 10.677 -15.121 1.00 0.00 C ATOM 1256 O ARG A 86 1.566 11.825 -15.512 1.00 0.00 O ATOM 1257 CB ARG A 86 3.285 9.966 -13.270 1.00 0.00 C ATOM 1258 CG ARG A 86 3.578 10.230 -11.791 1.00 0.00 C ATOM 1259 CD ARG A 86 4.627 11.331 -11.628 1.00 0.00 C ATOM 1260 NE ARG A 86 4.450 12.009 -10.324 1.00 0.00 N ATOM 1261 CZ ARG A 86 5.202 13.035 -9.903 1.00 0.00 C ATOM 1262 NH1 ARG A 86 6.187 13.507 -10.679 1.00 0.00 N ATOM 1263 NH2 ARG A 86 4.970 13.588 -8.705 1.00 0.00 N ATOM 0 H ARG A 86 1.279 8.613 -12.634 1.00 0.00 H new ATOM 0 HA ARG A 86 1.583 11.256 -13.052 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.436 8.909 -13.491 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.987 10.525 -13.889 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.659 10.520 -11.281 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.931 9.314 -11.317 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.628 10.904 -11.692 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.536 12.054 -12.439 1.00 0.00 H new ATOM 0 HE ARG A 86 3.709 11.674 -9.708 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.365 13.085 -11.591 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.759 14.288 -10.358 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.221 13.228 -8.114 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.542 14.369 -8.384 1.00 0.00 H new ATOM 1277 N SER A 87 1.940 9.632 -15.919 1.00 0.00 N ATOM 1278 CA SER A 87 1.890 9.777 -17.363 1.00 0.00 C ATOM 1279 C SER A 87 2.196 8.437 -18.035 1.00 0.00 C ATOM 1280 O SER A 87 3.355 8.122 -18.301 1.00 0.00 O ATOM 1281 CB SER A 87 2.871 10.848 -17.844 1.00 0.00 C ATOM 1282 OG SER A 87 3.053 10.810 -19.257 1.00 0.00 O ATOM 0 H SER A 87 2.111 8.681 -15.592 1.00 0.00 H new ATOM 0 HA SER A 87 0.884 10.094 -17.640 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.505 11.832 -17.552 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.833 10.706 -17.351 1.00 0.00 H new ATOM 0 HG SER A 87 3.685 11.510 -19.524 1.00 0.00 H new ATOM 1288 N GLY A 88 1.136 7.684 -18.291 1.00 0.00 N ATOM 1289 CA GLY A 88 1.277 6.385 -18.927 1.00 0.00 C ATOM 1290 C GLY A 88 2.132 5.447 -18.073 1.00 0.00 C ATOM 1291 O GLY A 88 2.636 5.843 -17.023 1.00 0.00 O ATOM 0 H GLY A 88 0.176 7.949 -18.070 1.00 0.00 H new ATOM 0 HA2 GLY A 88 0.293 5.944 -19.084 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.733 6.505 -19.910 1.00 0.00 H new ATOM 1295 N PRO A 89 2.274 4.188 -18.569 1.00 0.00 N ATOM 1296 CA PRO A 89 3.060 3.190 -17.863 1.00 0.00 C ATOM 1297 C PRO A 89 4.558 3.459 -18.022 1.00 0.00 C ATOM 1298 O PRO A 89 5.113 3.276 -19.104 1.00 0.00 O ATOM 1299 CB PRO A 89 2.629 1.859 -18.456 1.00 0.00 C ATOM 1300 CG PRO A 89 1.966 2.189 -19.784 1.00 0.00 C ATOM 1301 CD PRO A 89 1.692 3.684 -19.809 1.00 0.00 C ATOM 0 HA PRO A 89 2.890 3.205 -16.786 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.485 1.200 -18.600 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.937 1.341 -17.792 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.613 1.905 -20.614 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.038 1.629 -19.897 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.147 4.155 -20.680 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.623 3.890 -19.857 1.00 0.00 H new ATOM 1309 N SER A 90 5.169 3.889 -16.928 1.00 0.00 N ATOM 1310 CA SER A 90 6.592 4.184 -16.932 1.00 0.00 C ATOM 1311 C SER A 90 6.888 5.314 -17.920 1.00 0.00 C ATOM 1312 O SER A 90 6.963 6.479 -17.532 1.00 0.00 O ATOM 1313 CB SER A 90 7.411 2.942 -17.286 1.00 0.00 C ATOM 1314 OG SER A 90 7.671 2.131 -16.143 1.00 0.00 O ATOM 0 H SER A 90 4.705 4.040 -16.033 1.00 0.00 H new ATOM 0 HA SER A 90 6.879 4.501 -15.929 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.876 2.355 -18.033 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.355 3.247 -17.737 1.00 0.00 H new ATOM 0 HG SER A 90 7.372 2.599 -15.335 1.00 0.00 H new ATOM 1320 N SER A 91 7.049 4.931 -19.178 1.00 0.00 N ATOM 1321 CA SER A 91 7.336 5.898 -20.224 1.00 0.00 C ATOM 1322 C SER A 91 8.830 6.224 -20.240 1.00 0.00 C ATOM 1323 O SER A 91 9.498 6.145 -19.209 1.00 0.00 O ATOM 1324 CB SER A 91 6.515 7.175 -20.034 1.00 0.00 C ATOM 1325 OG SER A 91 6.202 7.799 -21.276 1.00 0.00 O ATOM 0 H SER A 91 6.986 3.964 -19.497 1.00 0.00 H new ATOM 0 HA SER A 91 7.057 5.459 -21.182 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.592 6.937 -19.505 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.070 7.873 -19.408 1.00 0.00 H new ATOM 0 HG SER A 91 5.676 8.609 -21.112 1.00 0.00 H new ATOM 1331 N GLY A 92 9.313 6.584 -21.420 1.00 0.00 N ATOM 1332 CA GLY A 92 10.716 6.923 -21.583 1.00 0.00 C ATOM 1333 C GLY A 92 11.337 6.142 -22.743 1.00 0.00 C ATOM 1334 O GLY A 92 11.853 5.042 -22.550 1.00 0.00 O ATOM 0 H GLY A 92 8.757 6.648 -22.273 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.817 7.993 -21.765 1.00 0.00 H new ATOM 0 HA3 GLY A 92 11.256 6.704 -20.662 1.00 0.00 H new TER 1338 GLY A 92