USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 591 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 14 HIS : no HD1:sc= -2.71! C(o=-2.7!,f=-6.4!) USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 17 LYS NZ :NH3+ -162:sc= -3.08 (180deg=-4.38!) USER MOD Set 2.2: A 85 THR OG1 : rot -59:sc= 0.934 USER MOD Single : A 38 THR OG1 : rot -26:sc= 0.0897 USER MOD Single : A 43 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.2) USER MOD Single : A 46 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.47) USER MOD Single : A 53 SER OG : rot -83:sc= 0.648 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -57:sc= 0.222 USER MOD Single : A 66 ASN : amide:sc= -0.0932 K(o=-0.093,f=-3.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.593 USER MOD Single : A 78 CYS SG : rot 160:sc= -4.67! USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -5.02! C(o=-5!,f=-10!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 103 N ARG A 11 3.672 1.640 -10.491 1.00 0.00 N ATOM 104 CA ARG A 11 4.139 0.275 -10.285 1.00 0.00 C ATOM 105 C ARG A 11 3.002 -0.622 -9.804 1.00 0.00 C ATOM 106 O ARG A 11 2.330 -0.314 -8.821 1.00 0.00 O ATOM 107 CB ARG A 11 5.284 0.253 -9.271 1.00 0.00 C ATOM 108 CG ARG A 11 5.802 -1.144 -8.967 1.00 0.00 C ATOM 109 CD ARG A 11 6.790 -1.614 -10.023 1.00 0.00 C ATOM 110 NE ARG A 11 8.162 -1.235 -9.697 1.00 0.00 N ATOM 111 CZ ARG A 11 9.181 -1.369 -10.538 1.00 0.00 C ATOM 112 NH1 ARG A 11 8.984 -1.869 -11.750 1.00 0.00 N ATOM 113 NH2 ARG A 11 10.401 -1.001 -10.168 1.00 0.00 N ATOM 0 HA ARG A 11 4.501 -0.107 -11.240 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.105 0.861 -9.650 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.946 0.716 -8.344 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.283 -1.150 -7.989 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.965 -1.840 -8.915 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.727 -2.698 -10.121 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.517 -1.190 -10.989 1.00 0.00 H new ATOM 0 HE ARG A 11 8.348 -0.846 -8.773 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.048 -2.152 -12.039 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.769 -1.971 -12.394 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.557 -0.615 -9.237 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.183 -1.104 -10.815 1.00 0.00 H new ATOM 127 N GLU A 12 2.795 -1.733 -10.504 1.00 0.00 N ATOM 128 CA GLU A 12 1.738 -2.673 -10.149 1.00 0.00 C ATOM 129 C GLU A 12 2.327 -3.993 -9.658 1.00 0.00 C ATOM 130 O GLU A 12 2.927 -4.742 -10.429 1.00 0.00 O ATOM 131 CB GLU A 12 0.824 -2.925 -11.350 1.00 0.00 C ATOM 132 CG GLU A 12 -0.610 -3.249 -10.965 1.00 0.00 C ATOM 133 CD GLU A 12 -1.537 -3.305 -12.164 1.00 0.00 C ATOM 134 OE1 GLU A 12 -1.244 -2.628 -13.172 1.00 0.00 O ATOM 135 OE2 GLU A 12 -2.555 -4.024 -12.094 1.00 0.00 O ATOM 0 H GLU A 12 3.345 -2.004 -11.319 1.00 0.00 H new ATOM 0 HA GLU A 12 1.152 -2.234 -9.342 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.829 -2.044 -11.991 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.229 -3.749 -11.938 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.635 -4.207 -10.446 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.973 -2.497 -10.264 1.00 0.00 H new ATOM 142 N VAL A 13 2.151 -4.270 -8.370 1.00 0.00 N ATOM 143 CA VAL A 13 2.663 -5.499 -7.776 1.00 0.00 C ATOM 144 C VAL A 13 1.529 -6.363 -7.236 1.00 0.00 C ATOM 145 O VAL A 13 0.939 -6.056 -6.200 1.00 0.00 O ATOM 146 CB VAL A 13 3.654 -5.199 -6.635 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.285 -6.486 -6.124 1.00 0.00 C ATOM 148 CG2 VAL A 13 4.721 -4.220 -7.100 1.00 0.00 C ATOM 0 H VAL A 13 1.658 -3.660 -7.718 1.00 0.00 H new ATOM 0 HA VAL A 13 3.183 -6.041 -8.566 1.00 0.00 H new ATOM 0 HB VAL A 13 3.106 -4.740 -5.812 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.982 -6.255 -5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.506 -7.150 -5.750 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.820 -6.977 -6.937 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.412 -4.019 -6.281 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.268 -4.649 -7.940 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.249 -3.289 -7.413 1.00 0.00 H new ATOM 158 N HIS A 14 1.229 -7.446 -7.946 1.00 0.00 N ATOM 159 CA HIS A 14 0.165 -8.357 -7.537 1.00 0.00 C ATOM 160 C HIS A 14 0.700 -9.426 -6.589 1.00 0.00 C ATOM 161 O HIS A 14 1.834 -9.886 -6.731 1.00 0.00 O ATOM 162 CB HIS A 14 -0.469 -9.016 -8.762 1.00 0.00 C ATOM 163 CG HIS A 14 -1.139 -8.045 -9.685 1.00 0.00 C ATOM 164 ND1 HIS A 14 -2.376 -8.274 -10.250 1.00 0.00 N ATOM 165 CD2 HIS A 14 -0.738 -6.834 -10.139 1.00 0.00 C ATOM 166 CE1 HIS A 14 -2.706 -7.248 -11.014 1.00 0.00 C ATOM 167 NE2 HIS A 14 -1.729 -6.360 -10.963 1.00 0.00 N ATOM 0 H HIS A 14 1.707 -7.714 -8.806 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.594 -7.778 -7.012 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.301 -9.556 -9.313 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.200 -9.753 -8.430 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.189 -6.334 -9.898 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.619 -7.152 -11.583 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -1.713 -5.467 -11.456 1.00 0.00 H new ATOM 175 N LEU A 15 -0.123 -9.818 -5.623 1.00 0.00 N ATOM 176 CA LEU A 15 0.267 -10.833 -4.650 1.00 0.00 C ATOM 177 C LEU A 15 -0.838 -11.869 -4.472 1.00 0.00 C ATOM 178 O LEU A 15 -2.001 -11.609 -4.778 1.00 0.00 O ATOM 179 CB LEU A 15 0.593 -10.181 -3.305 1.00 0.00 C ATOM 180 CG LEU A 15 1.662 -9.089 -3.330 1.00 0.00 C ATOM 181 CD1 LEU A 15 1.417 -8.076 -2.223 1.00 0.00 C ATOM 182 CD2 LEU A 15 3.050 -9.699 -3.199 1.00 0.00 C ATOM 0 H LEU A 15 -1.065 -9.449 -5.492 1.00 0.00 H new ATOM 0 HA LEU A 15 1.157 -11.338 -5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.324 -9.754 -2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.915 -10.961 -2.615 1.00 0.00 H new ATOM 0 HG LEU A 15 1.603 -8.571 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.188 -7.306 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.439 -7.616 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.448 -8.579 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.799 -8.907 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.121 -10.242 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.226 -10.385 -4.028 1.00 0.00 H new ATOM 194 N GLU A 16 -0.465 -13.044 -3.974 1.00 0.00 N ATOM 195 CA GLU A 16 -1.426 -14.119 -3.753 1.00 0.00 C ATOM 196 C GLU A 16 -1.393 -14.589 -2.302 1.00 0.00 C ATOM 197 O GLU A 16 -0.454 -15.261 -1.875 1.00 0.00 O ATOM 198 CB GLU A 16 -1.133 -15.294 -4.688 1.00 0.00 C ATOM 199 CG GLU A 16 -1.446 -15.005 -6.146 1.00 0.00 C ATOM 200 CD GLU A 16 -2.914 -15.197 -6.477 1.00 0.00 C ATOM 201 OE1 GLU A 16 -3.493 -16.212 -6.036 1.00 0.00 O ATOM 202 OE2 GLU A 16 -3.483 -14.333 -7.177 1.00 0.00 O ATOM 0 H GLU A 16 0.494 -13.276 -3.716 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.422 -13.732 -3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.081 -15.565 -4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.714 -16.158 -4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.156 -13.981 -6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.846 -15.659 -6.779 1.00 0.00 H new ATOM 209 N LYS A 17 -2.426 -14.230 -1.547 1.00 0.00 N ATOM 210 CA LYS A 17 -2.518 -14.614 -0.143 1.00 0.00 C ATOM 211 C LYS A 17 -3.579 -15.691 0.058 1.00 0.00 C ATOM 212 O LYS A 17 -4.279 -16.069 -0.882 1.00 0.00 O ATOM 213 CB LYS A 17 -2.846 -13.394 0.720 1.00 0.00 C ATOM 214 CG LYS A 17 -4.324 -13.045 0.744 1.00 0.00 C ATOM 215 CD LYS A 17 -4.642 -12.039 1.838 1.00 0.00 C ATOM 216 CE LYS A 17 -4.456 -10.610 1.353 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.535 -9.630 2.472 1.00 0.00 N ATOM 0 H LYS A 17 -3.212 -13.673 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.552 -15.018 0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.509 -13.580 1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.285 -12.536 0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.618 -12.637 -0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.910 -13.951 0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.669 -12.179 2.175 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.997 -12.219 2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.490 -10.518 0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.219 -10.376 0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.710 -8.679 2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.312 -9.894 3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.638 -9.632 2.999 1.00 0.00 H new ATOM 231 N ARG A 18 -3.694 -16.181 1.288 1.00 0.00 N ATOM 232 CA ARG A 18 -4.670 -17.215 1.611 1.00 0.00 C ATOM 233 C ARG A 18 -5.910 -16.607 2.260 1.00 0.00 C ATOM 234 O ARG A 18 -5.807 -15.775 3.162 1.00 0.00 O ATOM 235 CB ARG A 18 -4.051 -18.256 2.545 1.00 0.00 C ATOM 236 CG ARG A 18 -3.352 -19.391 1.813 1.00 0.00 C ATOM 237 CD ARG A 18 -3.200 -20.616 2.701 1.00 0.00 C ATOM 238 NE ARG A 18 -2.536 -21.716 2.007 1.00 0.00 N ATOM 239 CZ ARG A 18 -1.863 -22.677 2.629 1.00 0.00 C ATOM 240 NH1 ARG A 18 -1.766 -22.675 3.951 1.00 0.00 N ATOM 241 NH2 ARG A 18 -1.285 -23.645 1.928 1.00 0.00 N ATOM 0 H ARG A 18 -3.123 -15.879 2.077 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.968 -17.702 0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.334 -17.762 3.202 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.832 -18.672 3.181 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.920 -19.655 0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.369 -19.059 1.478 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.628 -20.350 3.590 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.183 -20.942 3.040 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.592 -21.748 0.989 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.209 -21.934 4.494 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.248 -23.415 4.425 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.358 -23.651 0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.768 -24.383 2.407 1.00 0.00 H new ATOM 255 N ARG A 19 -7.082 -17.029 1.795 1.00 0.00 N ATOM 256 CA ARG A 19 -8.341 -16.525 2.329 1.00 0.00 C ATOM 257 C ARG A 19 -8.253 -16.332 3.840 1.00 0.00 C ATOM 258 O ARG A 19 -8.032 -17.286 4.586 1.00 0.00 O ATOM 259 CB ARG A 19 -9.483 -17.486 1.992 1.00 0.00 C ATOM 260 CG ARG A 19 -10.828 -17.054 2.552 1.00 0.00 C ATOM 261 CD ARG A 19 -11.886 -18.128 2.352 1.00 0.00 C ATOM 262 NE ARG A 19 -13.207 -17.682 2.786 1.00 0.00 N ATOM 263 CZ ARG A 19 -13.581 -17.621 4.059 1.00 0.00 C ATOM 264 NH1 ARG A 19 -12.737 -17.974 5.018 1.00 0.00 N ATOM 265 NH2 ARG A 19 -14.800 -17.205 4.375 1.00 0.00 N ATOM 0 H ARG A 19 -7.185 -17.718 1.050 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.541 -15.558 1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.562 -17.577 0.909 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.239 -18.476 2.378 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.727 -16.835 3.615 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.147 -16.132 2.065 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.925 -18.407 1.299 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.604 -19.022 2.908 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.880 -17.402 2.072 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.798 -18.293 4.779 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.026 -17.926 5.995 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.452 -16.931 3.640 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.086 -17.159 5.353 1.00 0.00 H new ATOM 279 N GLY A 20 -8.427 -15.091 4.284 1.00 0.00 N ATOM 280 CA GLY A 20 -8.363 -14.796 5.704 1.00 0.00 C ATOM 281 C GLY A 20 -6.951 -14.873 6.249 1.00 0.00 C ATOM 282 O GLY A 20 -6.736 -15.332 7.370 1.00 0.00 O ATOM 0 H GLY A 20 -8.611 -14.285 3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.764 -13.799 5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.997 -15.497 6.247 1.00 0.00 H new ATOM 286 N GLU A 21 -5.986 -14.423 5.452 1.00 0.00 N ATOM 287 CA GLU A 21 -4.586 -14.446 5.862 1.00 0.00 C ATOM 288 C GLU A 21 -4.052 -13.029 6.050 1.00 0.00 C ATOM 289 O GLU A 21 -3.909 -12.275 5.089 1.00 0.00 O ATOM 290 CB GLU A 21 -3.740 -15.188 4.824 1.00 0.00 C ATOM 291 CG GLU A 21 -2.246 -15.104 5.085 1.00 0.00 C ATOM 292 CD GLU A 21 -1.492 -16.307 4.552 1.00 0.00 C ATOM 293 OE1 GLU A 21 -1.115 -16.292 3.362 1.00 0.00 O ATOM 294 OE2 GLU A 21 -1.280 -17.264 5.326 1.00 0.00 O ATOM 0 H GLU A 21 -6.147 -14.039 4.521 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.521 -14.970 6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.039 -16.236 4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.951 -14.779 3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.851 -14.199 4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.073 -15.017 6.158 1.00 0.00 H new ATOM 301 N GLY A 22 -3.758 -12.675 7.298 1.00 0.00 N ATOM 302 CA GLY A 22 -3.244 -11.350 7.591 1.00 0.00 C ATOM 303 C GLY A 22 -2.280 -10.854 6.531 1.00 0.00 C ATOM 304 O GLY A 22 -1.169 -11.370 6.402 1.00 0.00 O ATOM 0 H GLY A 22 -3.867 -13.282 8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.076 -10.651 7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.740 -11.365 8.557 1.00 0.00 H new ATOM 308 N LEU A 23 -2.705 -9.852 5.770 1.00 0.00 N ATOM 309 CA LEU A 23 -1.872 -9.287 4.714 1.00 0.00 C ATOM 310 C LEU A 23 -0.418 -9.185 5.163 1.00 0.00 C ATOM 311 O LEU A 23 0.502 -9.339 4.361 1.00 0.00 O ATOM 312 CB LEU A 23 -2.392 -7.906 4.311 1.00 0.00 C ATOM 313 CG LEU A 23 -2.150 -7.495 2.859 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.451 -6.017 2.665 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.718 -7.808 2.447 1.00 0.00 C ATOM 0 H LEU A 23 -3.621 -9.414 5.864 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.920 -9.952 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.465 -7.874 4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.930 -7.162 4.960 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.824 -8.069 2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.273 -5.743 1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.493 -5.822 2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.803 -5.426 3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.564 -7.509 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.027 -7.262 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.536 -8.878 2.546 1.00 0.00 H new ATOM 327 N GLY A 24 -0.219 -8.926 6.452 1.00 0.00 N ATOM 328 CA GLY A 24 1.126 -8.810 6.986 1.00 0.00 C ATOM 329 C GLY A 24 1.834 -7.558 6.507 1.00 0.00 C ATOM 330 O GLY A 24 2.878 -7.636 5.859 1.00 0.00 O ATOM 0 H GLY A 24 -0.965 -8.795 7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.082 -8.805 8.075 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.706 -9.686 6.695 1.00 0.00 H new ATOM 334 N VAL A 25 1.265 -6.400 6.825 1.00 0.00 N ATOM 335 CA VAL A 25 1.848 -5.126 6.422 1.00 0.00 C ATOM 336 C VAL A 25 1.481 -4.018 7.404 1.00 0.00 C ATOM 337 O VAL A 25 0.322 -3.879 7.792 1.00 0.00 O ATOM 338 CB VAL A 25 1.387 -4.719 5.010 1.00 0.00 C ATOM 339 CG1 VAL A 25 2.104 -5.546 3.954 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.122 -4.865 4.880 1.00 0.00 C ATOM 0 H VAL A 25 0.401 -6.318 7.361 1.00 0.00 H new ATOM 0 HA VAL A 25 2.930 -5.260 6.418 1.00 0.00 H new ATOM 0 HB VAL A 25 1.643 -3.671 4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.765 -5.244 2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.179 -5.385 4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.883 -6.602 4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.431 -4.573 3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.404 -5.903 5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.614 -4.224 5.612 1.00 0.00 H new ATOM 350 N ALA A 26 2.477 -3.233 7.801 1.00 0.00 N ATOM 351 CA ALA A 26 2.258 -2.136 8.735 1.00 0.00 C ATOM 352 C ALA A 26 2.469 -0.786 8.057 1.00 0.00 C ATOM 353 O ALA A 26 3.591 -0.433 7.689 1.00 0.00 O ATOM 354 CB ALA A 26 3.181 -2.275 9.937 1.00 0.00 C ATOM 0 H ALA A 26 3.443 -3.336 7.490 1.00 0.00 H new ATOM 0 HA ALA A 26 1.224 -2.183 9.076 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.007 -1.449 10.627 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.980 -3.219 10.443 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.218 -2.256 9.603 1.00 0.00 H new ATOM 360 N LEU A 27 1.385 -0.036 7.893 1.00 0.00 N ATOM 361 CA LEU A 27 1.452 1.275 7.257 1.00 0.00 C ATOM 362 C LEU A 27 1.270 2.388 8.285 1.00 0.00 C ATOM 363 O LEU A 27 0.865 2.139 9.420 1.00 0.00 O ATOM 364 CB LEU A 27 0.383 1.391 6.169 1.00 0.00 C ATOM 365 CG LEU A 27 0.397 0.302 5.096 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.005 0.066 4.556 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.349 0.676 3.969 1.00 0.00 C ATOM 0 H LEU A 27 0.450 -0.313 8.191 1.00 0.00 H new ATOM 0 HA LEU A 27 2.437 1.382 6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.596 1.389 6.648 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.496 2.358 5.679 1.00 0.00 H new ATOM 0 HG LEU A 27 0.749 -0.624 5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.975 -0.712 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.660 -0.247 5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.386 0.988 4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.346 -0.110 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.027 1.614 3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.357 0.793 4.368 1.00 0.00 H new ATOM 379 N VAL A 28 1.571 3.617 7.878 1.00 0.00 N ATOM 380 CA VAL A 28 1.438 4.769 8.761 1.00 0.00 C ATOM 381 C VAL A 28 1.096 6.029 7.974 1.00 0.00 C ATOM 382 O VAL A 28 0.935 5.986 6.755 1.00 0.00 O ATOM 383 CB VAL A 28 2.729 5.013 9.564 1.00 0.00 C ATOM 384 CG1 VAL A 28 2.861 3.995 10.687 1.00 0.00 C ATOM 385 CG2 VAL A 28 3.943 4.967 8.647 1.00 0.00 C ATOM 0 H VAL A 28 1.909 3.840 6.942 1.00 0.00 H new ATOM 0 HA VAL A 28 0.626 4.545 9.453 1.00 0.00 H new ATOM 0 HB VAL A 28 2.676 6.006 10.011 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.779 4.184 11.243 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.006 4.081 11.358 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.892 2.990 10.266 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.847 5.141 9.231 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.002 3.989 8.170 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.851 5.738 7.882 1.00 0.00 H new ATOM 395 N GLU A 29 0.988 7.150 8.680 1.00 0.00 N ATOM 396 CA GLU A 29 0.665 8.423 8.046 1.00 0.00 C ATOM 397 C GLU A 29 1.912 9.291 7.902 1.00 0.00 C ATOM 398 O GLU A 29 2.719 9.395 8.825 1.00 0.00 O ATOM 399 CB GLU A 29 -0.397 9.168 8.858 1.00 0.00 C ATOM 400 CG GLU A 29 -1.190 10.177 8.044 1.00 0.00 C ATOM 401 CD GLU A 29 -1.745 11.304 8.892 1.00 0.00 C ATOM 402 OE1 GLU A 29 -2.799 11.102 9.530 1.00 0.00 O ATOM 403 OE2 GLU A 29 -1.126 12.388 8.918 1.00 0.00 O ATOM 0 H GLU A 29 1.119 7.203 9.690 1.00 0.00 H new ATOM 0 HA GLU A 29 0.271 8.214 7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.085 8.443 9.292 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.087 9.683 9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.550 10.594 7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.012 9.667 7.541 1.00 0.00 H new ATOM 522 N THR A 38 -0.030 10.887 2.386 1.00 0.00 N ATOM 523 CA THR A 38 0.357 9.740 1.575 1.00 0.00 C ATOM 524 C THR A 38 0.545 8.496 2.436 1.00 0.00 C ATOM 525 O THR A 38 0.862 8.592 3.621 1.00 0.00 O ATOM 526 CB THR A 38 1.659 10.015 0.799 1.00 0.00 C ATOM 527 OG1 THR A 38 2.700 10.391 1.707 1.00 0.00 O ATOM 528 CG2 THR A 38 1.453 11.117 -0.230 1.00 0.00 C ATOM 0 HA THR A 38 -0.452 9.568 0.865 1.00 0.00 H new ATOM 0 HB THR A 38 1.945 9.102 0.277 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.305 10.788 2.511 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.386 11.294 -0.766 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.680 10.815 -0.937 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.145 12.033 0.274 1.00 0.00 H new ATOM 536 N ALA A 39 0.349 7.329 1.832 1.00 0.00 N ATOM 537 CA ALA A 39 0.500 6.066 2.543 1.00 0.00 C ATOM 538 C ALA A 39 1.943 5.575 2.490 1.00 0.00 C ATOM 539 O ALA A 39 2.493 5.348 1.412 1.00 0.00 O ATOM 540 CB ALA A 39 -0.438 5.018 1.963 1.00 0.00 C ATOM 0 H ALA A 39 0.085 7.232 0.851 1.00 0.00 H new ATOM 0 HA ALA A 39 0.239 6.233 3.588 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.314 4.080 2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.469 5.359 2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.204 4.863 0.910 1.00 0.00 H new ATOM 546 N VAL A 40 2.552 5.413 3.660 1.00 0.00 N ATOM 547 CA VAL A 40 3.931 4.949 3.747 1.00 0.00 C ATOM 548 C VAL A 40 4.052 3.757 4.689 1.00 0.00 C ATOM 549 O VAL A 40 3.486 3.758 5.783 1.00 0.00 O ATOM 550 CB VAL A 40 4.871 6.069 4.231 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.325 5.643 4.094 1.00 0.00 C ATOM 552 CG2 VAL A 40 4.609 7.354 3.460 1.00 0.00 C ATOM 0 H VAL A 40 2.111 5.596 4.561 1.00 0.00 H new ATOM 0 HA VAL A 40 4.226 4.646 2.742 1.00 0.00 H new ATOM 0 HB VAL A 40 4.670 6.257 5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.974 6.447 4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.501 4.750 4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.544 5.426 3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.282 8.135 3.815 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.781 7.182 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.576 7.667 3.615 1.00 0.00 H new ATOM 562 N ILE A 41 4.792 2.741 4.258 1.00 0.00 N ATOM 563 CA ILE A 41 4.988 1.543 5.065 1.00 0.00 C ATOM 564 C ILE A 41 5.901 1.824 6.254 1.00 0.00 C ATOM 565 O ILE A 41 7.008 2.336 6.092 1.00 0.00 O ATOM 566 CB ILE A 41 5.588 0.395 4.232 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.625 -0.009 3.113 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.904 -0.797 5.122 1.00 0.00 C ATOM 569 CD1 ILE A 41 5.285 -0.799 2.005 1.00 0.00 C ATOM 0 H ILE A 41 5.266 2.724 3.355 1.00 0.00 H new ATOM 0 HA ILE A 41 4.005 1.243 5.428 1.00 0.00 H new ATOM 0 HB ILE A 41 6.517 0.741 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.815 -0.602 3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.175 0.889 2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.327 -1.600 4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.622 -0.500 5.886 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.989 -1.147 5.600 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.544 -1.051 1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.077 -0.201 1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.711 -1.715 2.415 1.00 0.00 H new ATOM 581 N ALA A 42 5.429 1.484 7.449 1.00 0.00 N ATOM 582 CA ALA A 42 6.204 1.695 8.665 1.00 0.00 C ATOM 583 C ALA A 42 6.953 0.429 9.066 1.00 0.00 C ATOM 584 O ALA A 42 8.096 0.490 9.516 1.00 0.00 O ATOM 585 CB ALA A 42 5.295 2.154 9.796 1.00 0.00 C ATOM 0 H ALA A 42 4.513 1.061 7.601 1.00 0.00 H new ATOM 0 HA ALA A 42 6.941 2.473 8.467 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.887 2.308 10.699 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.810 3.089 9.516 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.537 1.394 9.984 1.00 0.00 H new ATOM 591 N ASN A 43 6.300 -0.717 8.900 1.00 0.00 N ATOM 592 CA ASN A 43 6.905 -1.998 9.246 1.00 0.00 C ATOM 593 C ASN A 43 6.296 -3.128 8.422 1.00 0.00 C ATOM 594 O ASN A 43 5.129 -3.068 8.034 1.00 0.00 O ATOM 595 CB ASN A 43 6.723 -2.285 10.738 1.00 0.00 C ATOM 596 CG ASN A 43 7.528 -1.341 11.611 1.00 0.00 C ATOM 597 OD1 ASN A 43 7.015 -0.327 12.085 1.00 0.00 O ATOM 598 ND2 ASN A 43 8.796 -1.670 11.826 1.00 0.00 N ATOM 0 H ASN A 43 5.353 -0.785 8.528 1.00 0.00 H new ATOM 0 HA ASN A 43 7.970 -1.941 9.021 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.667 -2.202 10.995 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.022 -3.312 10.947 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.387 -1.073 12.404 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.179 -2.520 11.413 1.00 0.00 H new ATOM 605 N LEU A 44 7.094 -4.156 8.158 1.00 0.00 N ATOM 606 CA LEU A 44 6.634 -5.301 7.380 1.00 0.00 C ATOM 607 C LEU A 44 7.124 -6.609 7.993 1.00 0.00 C ATOM 608 O LEU A 44 8.195 -6.659 8.600 1.00 0.00 O ATOM 609 CB LEU A 44 7.120 -5.189 5.934 1.00 0.00 C ATOM 610 CG LEU A 44 6.573 -4.008 5.132 1.00 0.00 C ATOM 611 CD1 LEU A 44 7.060 -4.068 3.693 1.00 0.00 C ATOM 612 CD2 LEU A 44 5.052 -3.988 5.181 1.00 0.00 C ATOM 0 H LEU A 44 8.063 -4.221 8.471 1.00 0.00 H new ATOM 0 HA LEU A 44 5.544 -5.302 7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.208 -5.125 5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.859 -6.109 5.412 1.00 0.00 H new ATOM 0 HG LEU A 44 6.944 -3.087 5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.660 -3.219 3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.149 -4.032 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.720 -4.995 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.681 -3.141 4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.662 -4.914 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.722 -3.895 6.216 1.00 0.00 H new ATOM 624 N LEU A 45 6.337 -7.666 7.829 1.00 0.00 N ATOM 625 CA LEU A 45 6.692 -8.976 8.364 1.00 0.00 C ATOM 626 C LEU A 45 7.436 -9.806 7.323 1.00 0.00 C ATOM 627 O LEU A 45 6.894 -10.123 6.263 1.00 0.00 O ATOM 628 CB LEU A 45 5.436 -9.719 8.823 1.00 0.00 C ATOM 629 CG LEU A 45 5.647 -10.808 9.874 1.00 0.00 C ATOM 630 CD1 LEU A 45 4.387 -11.001 10.704 1.00 0.00 C ATOM 631 CD2 LEU A 45 6.057 -12.116 9.212 1.00 0.00 C ATOM 0 H LEU A 45 5.448 -7.642 7.329 1.00 0.00 H new ATOM 0 HA LEU A 45 7.350 -8.825 9.220 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.732 -8.989 9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.966 -10.171 7.950 1.00 0.00 H new ATOM 0 HG LEU A 45 6.451 -10.493 10.539 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.557 -11.780 11.447 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.137 -10.067 11.208 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.564 -11.294 10.053 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.203 -12.880 9.976 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.275 -12.436 8.523 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.987 -11.970 8.663 1.00 0.00 H new ATOM 643 N HIS A 46 8.680 -10.157 7.633 1.00 0.00 N ATOM 644 CA HIS A 46 9.498 -10.954 6.725 1.00 0.00 C ATOM 645 C HIS A 46 8.905 -12.348 6.542 1.00 0.00 C ATOM 646 O HIS A 46 9.274 -13.287 7.246 1.00 0.00 O ATOM 647 CB HIS A 46 10.928 -11.060 7.254 1.00 0.00 C ATOM 648 CG HIS A 46 11.777 -9.869 6.929 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.642 -9.144 5.764 1.00 0.00 N ATOM 650 CD2 HIS A 46 12.774 -9.277 7.626 1.00 0.00 C ATOM 651 CE1 HIS A 46 12.521 -8.158 5.758 1.00 0.00 C ATOM 652 NE2 HIS A 46 13.221 -8.216 6.877 1.00 0.00 N ATOM 0 H HIS A 46 9.144 -9.902 8.505 1.00 0.00 H new ATOM 0 HA HIS A 46 9.514 -10.455 5.756 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.898 -11.190 8.336 1.00 0.00 H new ATOM 0 HB3 HIS A 46 11.395 -11.953 6.839 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.149 -9.582 8.592 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.646 -7.428 4.972 1.00 0.00 H new ATOM 0 HE2 HIS A 46 13.971 -7.577 7.141 1.00 0.00 H new ATOM 660 N GLY A 47 7.984 -12.475 5.591 1.00 0.00 N ATOM 661 CA GLY A 47 7.356 -13.757 5.333 1.00 0.00 C ATOM 662 C GLY A 47 5.941 -13.614 4.808 1.00 0.00 C ATOM 663 O GLY A 47 5.419 -14.517 4.157 1.00 0.00 O ATOM 0 H GLY A 47 7.662 -11.712 4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.954 -14.312 4.610 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.342 -14.343 6.252 1.00 0.00 H new ATOM 667 N GLY A 48 5.317 -12.475 5.094 1.00 0.00 N ATOM 668 CA GLY A 48 3.959 -12.238 4.640 1.00 0.00 C ATOM 669 C GLY A 48 3.821 -12.364 3.136 1.00 0.00 C ATOM 670 O GLY A 48 4.806 -12.488 2.409 1.00 0.00 O ATOM 0 H GLY A 48 5.728 -11.712 5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.288 -12.948 5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.645 -11.241 4.948 1.00 0.00 H new ATOM 674 N PRO A 49 2.572 -12.333 2.648 1.00 0.00 N ATOM 675 CA PRO A 49 2.278 -12.444 1.217 1.00 0.00 C ATOM 676 C PRO A 49 2.717 -11.209 0.437 1.00 0.00 C ATOM 677 O PRO A 49 2.983 -11.282 -0.762 1.00 0.00 O ATOM 678 CB PRO A 49 0.754 -12.587 1.177 1.00 0.00 C ATOM 679 CG PRO A 49 0.280 -11.936 2.431 1.00 0.00 C ATOM 680 CD PRO A 49 1.350 -12.187 3.457 1.00 0.00 C ATOM 0 HA PRO A 49 2.810 -13.276 0.756 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.334 -12.102 0.296 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.455 -13.635 1.137 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.125 -10.867 2.282 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.674 -12.354 2.752 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.432 -11.360 4.163 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.145 -13.085 4.040 1.00 0.00 H new ATOM 688 N ALA A 50 2.792 -10.075 1.127 1.00 0.00 N ATOM 689 CA ALA A 50 3.202 -8.825 0.500 1.00 0.00 C ATOM 690 C ALA A 50 4.705 -8.609 0.636 1.00 0.00 C ATOM 691 O ALA A 50 5.347 -8.068 -0.263 1.00 0.00 O ATOM 692 CB ALA A 50 2.441 -7.655 1.107 1.00 0.00 C ATOM 0 H ALA A 50 2.574 -9.997 2.120 1.00 0.00 H new ATOM 0 HA ALA A 50 2.965 -8.886 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.757 -6.728 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.371 -7.797 0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.648 -7.601 2.176 1.00 0.00 H new ATOM 698 N GLU A 51 5.259 -9.035 1.767 1.00 0.00 N ATOM 699 CA GLU A 51 6.687 -8.886 2.020 1.00 0.00 C ATOM 700 C GLU A 51 7.487 -9.948 1.270 1.00 0.00 C ATOM 701 O GLU A 51 8.610 -9.699 0.831 1.00 0.00 O ATOM 702 CB GLU A 51 6.974 -8.982 3.520 1.00 0.00 C ATOM 703 CG GLU A 51 8.419 -8.680 3.884 1.00 0.00 C ATOM 704 CD GLU A 51 8.793 -7.232 3.635 1.00 0.00 C ATOM 705 OE1 GLU A 51 8.699 -6.788 2.471 1.00 0.00 O ATOM 706 OE2 GLU A 51 9.179 -6.543 4.602 1.00 0.00 O ATOM 0 H GLU A 51 4.741 -9.485 2.522 1.00 0.00 H new ATOM 0 HA GLU A 51 6.993 -7.904 1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.322 -8.289 4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.723 -9.985 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.582 -8.918 4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.078 -9.326 3.305 1.00 0.00 H new ATOM 713 N ARG A 52 6.899 -11.131 1.127 1.00 0.00 N ATOM 714 CA ARG A 52 7.556 -12.231 0.432 1.00 0.00 C ATOM 715 C ARG A 52 8.035 -11.793 -0.949 1.00 0.00 C ATOM 716 O ARG A 52 9.076 -12.243 -1.428 1.00 0.00 O ATOM 717 CB ARG A 52 6.604 -13.421 0.300 1.00 0.00 C ATOM 718 CG ARG A 52 5.389 -13.135 -0.568 1.00 0.00 C ATOM 719 CD ARG A 52 4.648 -14.413 -0.929 1.00 0.00 C ATOM 720 NE ARG A 52 5.492 -15.343 -1.675 1.00 0.00 N ATOM 721 CZ ARG A 52 6.269 -16.254 -1.100 1.00 0.00 C ATOM 722 NH1 ARG A 52 6.309 -16.357 0.221 1.00 0.00 N ATOM 723 NH2 ARG A 52 7.008 -17.064 -1.847 1.00 0.00 N ATOM 0 H ARG A 52 5.969 -11.352 1.483 1.00 0.00 H new ATOM 0 HA ARG A 52 8.423 -12.532 1.020 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.149 -14.267 -0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.268 -13.719 1.293 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.715 -12.459 -0.041 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.703 -12.626 -1.479 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.293 -14.896 -0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.768 -14.166 -1.523 1.00 0.00 H new ATOM 0 HE ARG A 52 5.484 -15.290 -2.694 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.742 -15.736 0.798 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.906 -17.057 0.660 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.980 -16.987 -2.864 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.604 -17.763 -1.405 1.00 0.00 H new ATOM 737 N SER A 53 7.267 -10.913 -1.584 1.00 0.00 N ATOM 738 CA SER A 53 7.610 -10.417 -2.912 1.00 0.00 C ATOM 739 C SER A 53 9.068 -9.972 -2.966 1.00 0.00 C ATOM 740 O SER A 53 9.797 -10.305 -3.899 1.00 0.00 O ATOM 741 CB SER A 53 6.695 -9.254 -3.297 1.00 0.00 C ATOM 742 OG SER A 53 7.015 -8.087 -2.560 1.00 0.00 O ATOM 0 H SER A 53 6.403 -10.529 -1.200 1.00 0.00 H new ATOM 0 HA SER A 53 7.470 -11.230 -3.624 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.789 -9.051 -4.364 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.656 -9.529 -3.115 1.00 0.00 H new ATOM 0 HG SER A 53 6.577 -8.123 -1.684 1.00 0.00 H new ATOM 748 N GLY A 54 9.487 -9.214 -1.956 1.00 0.00 N ATOM 749 CA GLY A 54 10.855 -8.734 -1.906 1.00 0.00 C ATOM 750 C GLY A 54 10.993 -7.320 -2.433 1.00 0.00 C ATOM 751 O GLY A 54 11.809 -6.543 -1.938 1.00 0.00 O ATOM 0 H GLY A 54 8.903 -8.924 -1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.212 -8.771 -0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.492 -9.399 -2.489 1.00 0.00 H new ATOM 755 N ALA A 55 10.194 -6.985 -3.441 1.00 0.00 N ATOM 756 CA ALA A 55 10.230 -5.654 -4.035 1.00 0.00 C ATOM 757 C ALA A 55 9.644 -4.614 -3.087 1.00 0.00 C ATOM 758 O ALA A 55 10.091 -3.466 -3.055 1.00 0.00 O ATOM 759 CB ALA A 55 9.480 -5.647 -5.359 1.00 0.00 C ATOM 0 H ALA A 55 9.514 -7.617 -3.863 1.00 0.00 H new ATOM 0 HA ALA A 55 11.272 -5.393 -4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.515 -4.647 -5.792 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.945 -6.355 -6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.442 -5.934 -5.191 1.00 0.00 H new ATOM 765 N LEU A 56 8.641 -5.020 -2.317 1.00 0.00 N ATOM 766 CA LEU A 56 7.993 -4.122 -1.367 1.00 0.00 C ATOM 767 C LEU A 56 8.712 -4.141 -0.022 1.00 0.00 C ATOM 768 O LEU A 56 8.779 -5.175 0.643 1.00 0.00 O ATOM 769 CB LEU A 56 6.527 -4.517 -1.181 1.00 0.00 C ATOM 770 CG LEU A 56 5.760 -4.871 -2.455 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.620 -5.828 -2.144 1.00 0.00 C ATOM 772 CD2 LEU A 56 5.232 -3.611 -3.126 1.00 0.00 C ATOM 0 H LEU A 56 8.258 -5.965 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 56 8.042 -3.110 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.485 -5.372 -0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.010 -3.695 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 56 6.445 -5.366 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.086 -6.068 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.022 -6.743 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.934 -5.360 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.689 -3.881 -4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.562 -3.089 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.067 -2.960 -3.385 1.00 0.00 H new ATOM 784 N SER A 57 9.246 -2.990 0.374 1.00 0.00 N ATOM 785 CA SER A 57 9.961 -2.874 1.639 1.00 0.00 C ATOM 786 C SER A 57 9.531 -1.620 2.394 1.00 0.00 C ATOM 787 O SER A 57 8.635 -0.897 1.958 1.00 0.00 O ATOM 788 CB SER A 57 11.471 -2.844 1.395 1.00 0.00 C ATOM 789 OG SER A 57 11.824 -1.794 0.512 1.00 0.00 O ATOM 0 H SER A 57 9.197 -2.124 -0.163 1.00 0.00 H new ATOM 0 HA SER A 57 9.716 -3.745 2.247 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.993 -2.717 2.343 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.794 -3.798 0.978 1.00 0.00 H new ATOM 0 HG SER A 57 12.794 -1.795 0.374 1.00 0.00 H new ATOM 795 N ILE A 58 10.177 -1.368 3.527 1.00 0.00 N ATOM 796 CA ILE A 58 9.863 -0.201 4.342 1.00 0.00 C ATOM 797 C ILE A 58 10.174 1.091 3.594 1.00 0.00 C ATOM 798 O ILE A 58 11.336 1.420 3.359 1.00 0.00 O ATOM 799 CB ILE A 58 10.645 -0.214 5.669 1.00 0.00 C ATOM 800 CG1 ILE A 58 10.588 -1.604 6.306 1.00 0.00 C ATOM 801 CG2 ILE A 58 10.089 0.834 6.621 1.00 0.00 C ATOM 802 CD1 ILE A 58 9.183 -2.148 6.446 1.00 0.00 C ATOM 0 H ILE A 58 10.921 -1.956 3.902 1.00 0.00 H new ATOM 0 HA ILE A 58 8.796 -0.245 4.559 1.00 0.00 H new ATOM 0 HB ILE A 58 11.688 0.028 5.462 1.00 0.00 H new ATOM 0 HG12 ILE A 58 11.178 -2.295 5.704 1.00 0.00 H new ATOM 0 HG13 ILE A 58 11.053 -1.563 7.291 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.652 0.813 7.554 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.176 1.821 6.167 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.040 0.620 6.825 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.219 -3.136 6.905 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.594 -1.478 7.073 1.00 0.00 H new ATOM 0 HD13 ILE A 58 8.722 -2.222 5.461 1.00 0.00 H new ATOM 814 N GLY A 59 9.126 1.821 3.225 1.00 0.00 N ATOM 815 CA GLY A 59 9.308 3.070 2.509 1.00 0.00 C ATOM 816 C GLY A 59 8.321 3.235 1.371 1.00 0.00 C ATOM 817 O GLY A 59 7.655 4.265 1.262 1.00 0.00 O ATOM 0 H GLY A 59 8.155 1.570 3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.199 3.903 3.204 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.323 3.115 2.115 1.00 0.00 H new ATOM 821 N ASP A 60 8.226 2.220 0.520 1.00 0.00 N ATOM 822 CA ASP A 60 7.314 2.257 -0.617 1.00 0.00 C ATOM 823 C ASP A 60 6.036 3.011 -0.264 1.00 0.00 C ATOM 824 O ASP A 60 5.414 2.751 0.766 1.00 0.00 O ATOM 825 CB ASP A 60 6.973 0.836 -1.071 1.00 0.00 C ATOM 826 CG ASP A 60 8.152 0.136 -1.717 1.00 0.00 C ATOM 827 OD1 ASP A 60 9.304 0.516 -1.419 1.00 0.00 O ATOM 828 OD2 ASP A 60 7.924 -0.792 -2.520 1.00 0.00 O ATOM 0 H ASP A 60 8.770 1.360 0.596 1.00 0.00 H new ATOM 0 HA ASP A 60 7.811 2.782 -1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.635 0.255 -0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.144 0.873 -1.778 1.00 0.00 H new ATOM 833 N ARG A 61 5.651 3.948 -1.124 1.00 0.00 N ATOM 834 CA ARG A 61 4.449 4.742 -0.902 1.00 0.00 C ATOM 835 C ARG A 61 3.264 4.162 -1.668 1.00 0.00 C ATOM 836 O ARG A 61 3.255 4.145 -2.900 1.00 0.00 O ATOM 837 CB ARG A 61 4.684 6.193 -1.328 1.00 0.00 C ATOM 838 CG ARG A 61 3.454 7.075 -1.190 1.00 0.00 C ATOM 839 CD ARG A 61 2.528 6.931 -2.388 1.00 0.00 C ATOM 840 NE ARG A 61 1.783 8.158 -2.655 1.00 0.00 N ATOM 841 CZ ARG A 61 2.292 9.202 -3.299 1.00 0.00 C ATOM 842 NH1 ARG A 61 3.542 9.168 -3.741 1.00 0.00 N ATOM 843 NH2 ARG A 61 1.551 10.284 -3.503 1.00 0.00 N ATOM 0 H ARG A 61 6.154 4.176 -1.981 1.00 0.00 H new ATOM 0 HA ARG A 61 4.219 4.716 0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.491 6.613 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.017 6.209 -2.366 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.916 6.811 -0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.761 8.116 -1.089 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.113 6.663 -3.268 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.829 6.114 -2.209 1.00 0.00 H new ATOM 0 HE ARG A 61 0.818 8.217 -2.329 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.115 8.338 -3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.930 9.971 -4.235 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.589 10.315 -3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.943 11.085 -3.998 1.00 0.00 H new ATOM 857 N LEU A 62 2.266 3.686 -0.932 1.00 0.00 N ATOM 858 CA LEU A 62 1.075 3.104 -1.541 1.00 0.00 C ATOM 859 C LEU A 62 0.144 4.192 -2.066 1.00 0.00 C ATOM 860 O LEU A 62 -0.038 5.230 -1.428 1.00 0.00 O ATOM 861 CB LEU A 62 0.335 2.229 -0.528 1.00 0.00 C ATOM 862 CG LEU A 62 -0.878 1.465 -1.060 1.00 0.00 C ATOM 863 CD1 LEU A 62 -1.097 0.189 -0.261 1.00 0.00 C ATOM 864 CD2 LEU A 62 -2.120 2.342 -1.019 1.00 0.00 C ATOM 0 H LEU A 62 2.258 3.692 0.088 1.00 0.00 H new ATOM 0 HA LEU A 62 1.392 2.487 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.041 1.508 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.008 2.861 0.297 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.685 1.191 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.964 -0.342 -0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.215 -0.447 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.268 0.440 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.974 1.782 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.317 2.646 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.961 3.227 -1.635 1.00 0.00 H new ATOM 876 N THR A 63 -0.446 3.948 -3.232 1.00 0.00 N ATOM 877 CA THR A 63 -1.359 4.905 -3.842 1.00 0.00 C ATOM 878 C THR A 63 -2.783 4.364 -3.874 1.00 0.00 C ATOM 879 O THR A 63 -3.748 5.120 -3.760 1.00 0.00 O ATOM 880 CB THR A 63 -0.924 5.260 -5.277 1.00 0.00 C ATOM 881 OG1 THR A 63 -1.056 4.115 -6.126 1.00 0.00 O ATOM 882 CG2 THR A 63 0.515 5.752 -5.300 1.00 0.00 C ATOM 0 H THR A 63 -0.307 3.094 -3.773 1.00 0.00 H new ATOM 0 HA THR A 63 -1.330 5.805 -3.228 1.00 0.00 H new ATOM 0 HB THR A 63 -1.570 6.059 -5.642 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.522 3.377 -5.765 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.800 5.996 -6.323 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.606 6.641 -4.676 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.173 4.972 -4.917 1.00 0.00 H new ATOM 890 N ALA A 64 -2.908 3.050 -4.030 1.00 0.00 N ATOM 891 CA ALA A 64 -4.216 2.407 -4.074 1.00 0.00 C ATOM 892 C ALA A 64 -4.099 0.908 -3.819 1.00 0.00 C ATOM 893 O ALA A 64 -3.002 0.349 -3.836 1.00 0.00 O ATOM 894 CB ALA A 64 -4.886 2.665 -5.416 1.00 0.00 C ATOM 0 H ALA A 64 -2.120 2.410 -4.128 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.832 2.837 -3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.862 2.179 -5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.012 3.738 -5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.265 2.263 -6.216 1.00 0.00 H new ATOM 900 N ILE A 65 -5.236 0.263 -3.581 1.00 0.00 N ATOM 901 CA ILE A 65 -5.261 -1.171 -3.322 1.00 0.00 C ATOM 902 C ILE A 65 -6.349 -1.859 -4.140 1.00 0.00 C ATOM 903 O ILE A 65 -7.539 -1.667 -3.894 1.00 0.00 O ATOM 904 CB ILE A 65 -5.491 -1.470 -1.829 1.00 0.00 C ATOM 905 CG1 ILE A 65 -4.334 -0.918 -0.992 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.646 -2.967 -1.606 1.00 0.00 C ATOM 907 CD1 ILE A 65 -4.611 -0.917 0.495 1.00 0.00 C ATOM 0 H ILE A 65 -6.152 0.711 -3.562 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.287 -1.561 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.411 -0.978 -1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.440 -1.511 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.117 0.101 -1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.808 -3.162 -0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.499 -3.333 -2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.742 -3.479 -1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.749 -0.513 1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.486 -0.300 0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.798 -1.937 0.831 1.00 0.00 H new ATOM 919 N ASN A 66 -5.931 -2.663 -5.113 1.00 0.00 N ATOM 920 CA ASN A 66 -6.870 -3.381 -5.967 1.00 0.00 C ATOM 921 C ASN A 66 -7.882 -2.424 -6.588 1.00 0.00 C ATOM 922 O ASN A 66 -9.002 -2.814 -6.915 1.00 0.00 O ATOM 923 CB ASN A 66 -7.599 -4.460 -5.164 1.00 0.00 C ATOM 924 CG ASN A 66 -6.657 -5.527 -4.641 1.00 0.00 C ATOM 925 OD1 ASN A 66 -5.956 -6.184 -5.411 1.00 0.00 O ATOM 926 ND2 ASN A 66 -6.636 -5.706 -3.325 1.00 0.00 N ATOM 0 H ASN A 66 -4.949 -2.833 -5.329 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.304 -3.854 -6.769 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.119 -3.996 -4.326 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.358 -4.926 -5.792 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.022 -6.410 -2.916 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.234 -5.139 -2.724 1.00 0.00 H new ATOM 933 N GLY A 67 -7.478 -1.167 -6.749 1.00 0.00 N ATOM 934 CA GLY A 67 -8.361 -0.173 -7.332 1.00 0.00 C ATOM 935 C GLY A 67 -8.729 0.922 -6.350 1.00 0.00 C ATOM 936 O GLY A 67 -8.969 2.064 -6.743 1.00 0.00 O ATOM 0 H GLY A 67 -6.556 -0.820 -6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.879 0.271 -8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.270 -0.661 -7.685 1.00 0.00 H new ATOM 940 N THR A 68 -8.775 0.574 -5.068 1.00 0.00 N ATOM 941 CA THR A 68 -9.120 1.535 -4.028 1.00 0.00 C ATOM 942 C THR A 68 -8.073 2.639 -3.931 1.00 0.00 C ATOM 943 O THR A 68 -7.042 2.475 -3.278 1.00 0.00 O ATOM 944 CB THR A 68 -9.257 0.851 -2.654 1.00 0.00 C ATOM 945 OG1 THR A 68 -10.202 -0.222 -2.733 1.00 0.00 O ATOM 946 CG2 THR A 68 -9.701 1.848 -1.595 1.00 0.00 C ATOM 0 H THR A 68 -8.578 -0.366 -4.725 1.00 0.00 H new ATOM 0 HA THR A 68 -10.080 1.971 -4.306 1.00 0.00 H new ATOM 0 HB THR A 68 -8.282 0.455 -2.371 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.282 -0.653 -1.856 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.791 1.342 -0.634 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.965 2.648 -1.517 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.666 2.270 -1.874 1.00 0.00 H new ATOM 954 N SER A 69 -8.344 3.764 -4.584 1.00 0.00 N ATOM 955 CA SER A 69 -7.423 4.895 -4.573 1.00 0.00 C ATOM 956 C SER A 69 -7.346 5.520 -3.184 1.00 0.00 C ATOM 957 O SER A 69 -8.167 6.364 -2.823 1.00 0.00 O ATOM 958 CB SER A 69 -7.863 5.947 -5.594 1.00 0.00 C ATOM 959 OG SER A 69 -7.094 7.131 -5.469 1.00 0.00 O ATOM 0 H SER A 69 -9.194 3.917 -5.127 1.00 0.00 H new ATOM 0 HA SER A 69 -6.433 4.528 -4.842 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.758 5.546 -6.602 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.919 6.178 -5.451 1.00 0.00 H new ATOM 0 HG SER A 69 -7.393 7.787 -6.133 1.00 0.00 H new ATOM 965 N LEU A 70 -6.353 5.099 -2.408 1.00 0.00 N ATOM 966 CA LEU A 70 -6.167 5.616 -1.056 1.00 0.00 C ATOM 967 C LEU A 70 -5.520 6.997 -1.086 1.00 0.00 C ATOM 968 O LEU A 70 -5.758 7.825 -0.207 1.00 0.00 O ATOM 969 CB LEU A 70 -5.305 4.655 -0.235 1.00 0.00 C ATOM 970 CG LEU A 70 -5.921 3.287 0.059 1.00 0.00 C ATOM 971 CD1 LEU A 70 -4.888 2.358 0.678 1.00 0.00 C ATOM 972 CD2 LEU A 70 -7.128 3.431 0.976 1.00 0.00 C ATOM 0 H LEU A 70 -5.665 4.402 -2.691 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.148 5.704 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.364 4.502 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.064 5.135 0.714 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.255 2.851 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.345 1.389 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.054 2.229 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.523 2.789 1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.554 2.447 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.819 3.889 1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.877 4.060 0.495 1.00 0.00 H new ATOM 984 N VAL A 71 -4.702 7.240 -2.106 1.00 0.00 N ATOM 985 CA VAL A 71 -4.023 8.522 -2.253 1.00 0.00 C ATOM 986 C VAL A 71 -4.966 9.681 -1.948 1.00 0.00 C ATOM 987 O VAL A 71 -5.905 9.944 -2.697 1.00 0.00 O ATOM 988 CB VAL A 71 -3.455 8.696 -3.674 1.00 0.00 C ATOM 989 CG1 VAL A 71 -4.544 8.483 -4.714 1.00 0.00 C ATOM 990 CG2 VAL A 71 -2.820 10.070 -3.828 1.00 0.00 C ATOM 0 H VAL A 71 -4.494 6.566 -2.842 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.200 8.529 -1.538 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.682 7.944 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.124 8.610 -5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.949 7.476 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.341 9.211 -4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.424 10.177 -4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.571 10.840 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.010 10.179 -3.107 1.00 0.00 H new ATOM 1000 N GLY A 72 -4.707 10.372 -0.842 1.00 0.00 N ATOM 1001 CA GLY A 72 -5.541 11.496 -0.457 1.00 0.00 C ATOM 1002 C GLY A 72 -6.583 11.117 0.576 1.00 0.00 C ATOM 1003 O GLY A 72 -7.641 11.743 0.660 1.00 0.00 O ATOM 0 H GLY A 72 -3.935 10.174 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.912 12.292 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.038 11.895 -1.341 1.00 0.00 H new ATOM 1007 N LEU A 73 -6.287 10.090 1.364 1.00 0.00 N ATOM 1008 CA LEU A 73 -7.207 9.627 2.397 1.00 0.00 C ATOM 1009 C LEU A 73 -6.487 9.455 3.731 1.00 0.00 C ATOM 1010 O LEU A 73 -5.273 9.260 3.788 1.00 0.00 O ATOM 1011 CB LEU A 73 -7.851 8.304 1.978 1.00 0.00 C ATOM 1012 CG LEU A 73 -8.927 8.395 0.895 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -9.302 7.008 0.398 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -10.154 9.125 1.422 1.00 0.00 C ATOM 0 H LEU A 73 -5.416 9.561 1.308 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.985 10.380 2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.065 7.636 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.291 7.841 2.861 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.524 8.962 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.069 7.092 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.421 6.520 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.686 6.415 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.909 9.180 0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.559 8.585 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.874 10.133 1.728 1.00 0.00 H new ATOM 1026 N PRO A 74 -7.252 9.527 4.830 1.00 0.00 N ATOM 1027 CA PRO A 74 -6.709 9.379 6.184 1.00 0.00 C ATOM 1028 C PRO A 74 -6.255 7.952 6.473 1.00 0.00 C ATOM 1029 O PRO A 74 -6.916 6.988 6.084 1.00 0.00 O ATOM 1030 CB PRO A 74 -7.889 9.757 7.082 1.00 0.00 C ATOM 1031 CG PRO A 74 -9.098 9.473 6.260 1.00 0.00 C ATOM 1032 CD PRO A 74 -8.707 9.757 4.836 1.00 0.00 C ATOM 0 HA PRO A 74 -5.824 9.996 6.338 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.890 9.172 8.002 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.845 10.807 7.372 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.416 8.437 6.378 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.935 10.100 6.567 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.221 9.096 4.138 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.954 10.779 4.548 1.00 0.00 H new ATOM 1040 N LEU A 75 -5.125 7.824 7.159 1.00 0.00 N ATOM 1041 CA LEU A 75 -4.582 6.514 7.502 1.00 0.00 C ATOM 1042 C LEU A 75 -5.702 5.515 7.775 1.00 0.00 C ATOM 1043 O LEU A 75 -5.710 4.412 7.230 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.670 6.622 8.725 1.00 0.00 C ATOM 1045 CG LEU A 75 -3.224 5.299 9.349 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -2.291 4.553 8.407 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -2.547 5.543 10.690 1.00 0.00 C ATOM 0 H LEU A 75 -4.567 8.611 7.489 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.000 6.156 6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.781 7.185 8.441 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.186 7.205 9.488 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.107 4.683 9.517 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.984 3.614 8.867 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.809 4.346 7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.411 5.164 8.207 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.236 4.591 11.119 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.673 6.178 10.546 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.246 6.035 11.366 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.647 5.911 8.622 1.00 0.00 N ATOM 1060 CA ALA A 76 -7.774 5.052 8.964 1.00 0.00 C ATOM 1061 C ALA A 76 -8.289 4.307 7.737 1.00 0.00 C ATOM 1062 O ALA A 76 -8.492 3.094 7.777 1.00 0.00 O ATOM 1063 CB ALA A 76 -8.891 5.873 9.592 1.00 0.00 C ATOM 0 H ALA A 76 -6.654 6.821 9.083 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.429 4.313 9.687 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.726 5.219 9.843 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.523 6.355 10.498 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.225 6.634 8.886 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.498 5.040 6.649 1.00 0.00 N ATOM 1070 CA ALA A 77 -8.987 4.448 5.411 1.00 0.00 C ATOM 1071 C ALA A 77 -8.089 3.301 4.958 1.00 0.00 C ATOM 1072 O ALA A 77 -8.561 2.190 4.714 1.00 0.00 O ATOM 1073 CB ALA A 77 -9.085 5.506 4.322 1.00 0.00 C ATOM 0 H ALA A 77 -8.336 6.046 6.600 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.981 4.043 5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.452 5.049 3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.773 6.290 4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.100 5.938 4.145 1.00 0.00 H new ATOM 1079 N CYS A 78 -6.795 3.578 4.848 1.00 0.00 N ATOM 1080 CA CYS A 78 -5.831 2.570 4.423 1.00 0.00 C ATOM 1081 C CYS A 78 -5.813 1.392 5.392 1.00 0.00 C ATOM 1082 O CYS A 78 -5.789 0.234 4.975 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.433 3.182 4.320 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.312 4.552 3.147 1.00 0.00 S ATOM 0 H CYS A 78 -6.389 4.492 5.047 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.133 2.205 3.441 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -4.128 3.534 5.306 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.728 2.404 4.027 1.00 0.00 H new ATOM 0 HG CYS A 78 -3.262 5.267 3.422 1.00 0.00 H new ATOM 1090 N GLN A 79 -5.824 1.696 6.686 1.00 0.00 N ATOM 1091 CA GLN A 79 -5.807 0.662 7.713 1.00 0.00 C ATOM 1092 C GLN A 79 -6.993 -0.283 7.554 1.00 0.00 C ATOM 1093 O GLN A 79 -6.864 -1.493 7.739 1.00 0.00 O ATOM 1094 CB GLN A 79 -5.829 1.296 9.105 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.445 1.594 9.660 1.00 0.00 C ATOM 1096 CD GLN A 79 -4.471 1.952 11.133 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -5.417 2.577 11.615 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -3.430 1.558 11.857 1.00 0.00 N ATOM 0 H GLN A 79 -5.845 2.650 7.047 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.889 0.086 7.598 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.402 2.222 9.064 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.350 0.628 9.791 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.804 0.725 9.513 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.002 2.416 9.098 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.668 1.042 11.416 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.392 1.771 12.854 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.148 0.277 7.211 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.357 -0.516 7.025 1.00 0.00 C ATOM 1109 C ALA A 80 -9.294 -1.318 5.729 1.00 0.00 C ATOM 1110 O ALA A 80 -9.748 -2.460 5.672 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.585 0.382 7.033 1.00 0.00 C ATOM 0 H ALA A 80 -8.272 1.278 7.056 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.430 -1.220 7.854 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.480 -0.224 6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.647 0.905 7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.509 1.109 6.225 1.00 0.00 H new ATOM 1117 N ALA A 81 -8.728 -0.711 4.691 1.00 0.00 N ATOM 1118 CA ALA A 81 -8.605 -1.370 3.396 1.00 0.00 C ATOM 1119 C ALA A 81 -7.624 -2.535 3.464 1.00 0.00 C ATOM 1120 O ALA A 81 -7.960 -3.664 3.104 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.167 -0.370 2.336 1.00 0.00 C ATOM 0 H ALA A 81 -8.348 0.235 4.721 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.582 -1.768 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.079 -0.875 1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.906 0.428 2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.202 0.054 2.613 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.410 -2.255 3.928 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.381 -3.281 4.044 1.00 0.00 C ATOM 1129 C VAL A 82 -5.884 -4.477 4.844 1.00 0.00 C ATOM 1130 O VAL A 82 -5.342 -5.578 4.741 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.109 -2.727 4.714 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.364 -2.438 6.185 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -2.952 -3.700 4.546 1.00 0.00 C ATOM 0 H VAL A 82 -6.115 -1.326 4.230 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.139 -3.602 3.031 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.840 -1.790 4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.455 -2.047 6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.162 -1.702 6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.658 -3.358 6.691 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.062 -3.293 5.025 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.209 -4.654 5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.756 -3.852 3.485 1.00 0.00 H new ATOM 1143 N ARG A 83 -6.923 -4.254 5.642 1.00 0.00 N ATOM 1144 CA ARG A 83 -7.500 -5.313 6.461 1.00 0.00 C ATOM 1145 C ARG A 83 -8.507 -6.133 5.659 1.00 0.00 C ATOM 1146 O ARG A 83 -8.584 -7.352 5.805 1.00 0.00 O ATOM 1147 CB ARG A 83 -8.178 -4.719 7.697 1.00 0.00 C ATOM 1148 CG ARG A 83 -7.252 -4.588 8.895 1.00 0.00 C ATOM 1149 CD ARG A 83 -8.032 -4.554 10.200 1.00 0.00 C ATOM 1150 NE ARG A 83 -8.562 -5.868 10.555 1.00 0.00 N ATOM 1151 CZ ARG A 83 -7.805 -6.879 10.966 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -6.492 -6.728 11.074 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -8.361 -8.045 11.271 1.00 0.00 N ATOM 0 H ARG A 83 -7.383 -3.349 5.739 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.693 -5.972 6.780 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.575 -3.735 7.446 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.027 -5.345 7.971 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.553 -5.424 8.909 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.659 -3.678 8.800 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.384 -4.196 11.000 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.854 -3.843 10.113 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.568 -6.017 10.483 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.061 -5.833 10.841 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.913 -7.506 11.390 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.371 -8.165 11.190 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.779 -8.821 11.587 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.276 -5.454 4.814 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.279 -6.120 3.991 1.00 0.00 C ATOM 1169 C GLU A 84 -9.656 -7.259 3.190 1.00 0.00 C ATOM 1170 O GLU A 84 -10.149 -8.388 3.206 1.00 0.00 O ATOM 1171 CB GLU A 84 -10.941 -5.117 3.044 1.00 0.00 C ATOM 1172 CG GLU A 84 -12.065 -4.322 3.687 1.00 0.00 C ATOM 1173 CD GLU A 84 -13.165 -5.208 4.237 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -13.633 -6.100 3.498 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -13.559 -5.010 5.405 1.00 0.00 O ATOM 0 H GLU A 84 -9.224 -4.444 4.681 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.037 -6.538 4.653 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.184 -4.426 2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.334 -5.652 2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.658 -3.711 4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.488 -3.638 2.951 1.00 0.00 H new ATOM 1182 N THR A 85 -8.569 -6.956 2.488 1.00 0.00 N ATOM 1183 CA THR A 85 -7.878 -7.952 1.679 1.00 0.00 C ATOM 1184 C THR A 85 -7.697 -9.255 2.448 1.00 0.00 C ATOM 1185 O THR A 85 -7.699 -10.339 1.864 1.00 0.00 O ATOM 1186 CB THR A 85 -6.499 -7.444 1.219 1.00 0.00 C ATOM 1187 OG1 THR A 85 -5.679 -7.154 2.356 1.00 0.00 O ATOM 1188 CG2 THR A 85 -6.640 -6.198 0.358 1.00 0.00 C ATOM 0 H THR A 85 -8.148 -6.027 2.463 1.00 0.00 H new ATOM 0 HA THR A 85 -8.500 -8.134 0.803 1.00 0.00 H new ATOM 0 HB THR A 85 -6.029 -8.226 0.623 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.115 -6.473 2.909 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.653 -5.858 0.045 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.240 -6.430 -0.522 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.129 -5.412 0.933 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.540 -9.144 3.763 1.00 0.00 N ATOM 1197 CA LYS A 86 -7.359 -10.313 4.614 1.00 0.00 C ATOM 1198 C LYS A 86 -8.167 -11.497 4.092 1.00 0.00 C ATOM 1199 O LYS A 86 -7.676 -12.625 4.047 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.774 -9.993 6.052 1.00 0.00 C ATOM 1201 CG LYS A 86 -7.396 -11.073 7.050 1.00 0.00 C ATOM 1202 CD LYS A 86 -8.008 -10.810 8.415 1.00 0.00 C ATOM 1203 CE LYS A 86 -7.867 -12.017 9.331 1.00 0.00 C ATOM 1204 NZ LYS A 86 -8.578 -11.817 10.624 1.00 0.00 N ATOM 0 H LYS A 86 -7.535 -8.255 4.262 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.303 -10.582 4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.311 -9.053 6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.853 -9.842 6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.730 -12.043 6.681 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.311 -11.122 7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.524 -9.947 8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.063 -10.560 8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.264 -12.901 8.831 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.811 -12.206 9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.458 -12.661 11.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.183 -10.989 11.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.590 -11.662 10.443 1.00 0.00 H new ATOM 1218 N SER A 87 -9.408 -11.231 3.697 1.00 0.00 N ATOM 1219 CA SER A 87 -10.286 -12.275 3.180 1.00 0.00 C ATOM 1220 C SER A 87 -9.901 -12.650 1.752 1.00 0.00 C ATOM 1221 O SER A 87 -9.823 -13.829 1.409 1.00 0.00 O ATOM 1222 CB SER A 87 -11.743 -11.813 3.223 1.00 0.00 C ATOM 1223 OG SER A 87 -12.229 -11.780 4.554 1.00 0.00 O ATOM 0 H SER A 87 -9.828 -10.302 3.725 1.00 0.00 H new ATOM 0 HA SER A 87 -10.173 -13.156 3.812 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.827 -10.822 2.777 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.358 -12.485 2.624 1.00 0.00 H new ATOM 0 HG SER A 87 -13.162 -11.480 4.554 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.661 -11.638 0.925 1.00 0.00 N ATOM 1230 CA GLN A 88 -9.285 -11.861 -0.466 1.00 0.00 C ATOM 1231 C GLN A 88 -7.953 -12.597 -0.558 1.00 0.00 C ATOM 1232 O GLN A 88 -7.045 -12.365 0.241 1.00 0.00 O ATOM 1233 CB GLN A 88 -9.197 -10.528 -1.212 1.00 0.00 C ATOM 1234 CG GLN A 88 -10.494 -9.734 -1.194 1.00 0.00 C ATOM 1235 CD GLN A 88 -10.626 -8.861 0.038 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -10.894 -9.352 1.135 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -10.439 -7.558 -0.137 1.00 0.00 N ATOM 0 H GLN A 88 -9.720 -10.656 1.194 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.054 -12.479 -0.930 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.405 -9.925 -0.769 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.911 -10.718 -2.247 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.545 -9.108 -2.085 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.338 -10.422 -1.239 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.219 -7.194 -1.064 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.516 -6.921 0.656 1.00 0.00 H new ATOM 1246 N THR A 89 -7.842 -13.488 -1.539 1.00 0.00 N ATOM 1247 CA THR A 89 -6.621 -14.260 -1.735 1.00 0.00 C ATOM 1248 C THR A 89 -5.663 -13.544 -2.680 1.00 0.00 C ATOM 1249 O THR A 89 -4.632 -14.093 -3.068 1.00 0.00 O ATOM 1250 CB THR A 89 -6.927 -15.661 -2.298 1.00 0.00 C ATOM 1251 OG1 THR A 89 -7.874 -15.564 -3.368 1.00 0.00 O ATOM 1252 CG2 THR A 89 -7.476 -16.573 -1.210 1.00 0.00 C ATOM 0 H THR A 89 -8.583 -13.693 -2.210 1.00 0.00 H new ATOM 0 HA THR A 89 -6.152 -14.363 -0.756 1.00 0.00 H new ATOM 0 HB THR A 89 -5.997 -16.088 -2.674 1.00 0.00 H new ATOM 0 HG1 THR A 89 -8.061 -16.459 -3.721 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.685 -17.557 -1.631 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.741 -16.669 -0.411 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.396 -16.148 -0.808 1.00 0.00 H new ATOM 1260 N SER A 90 -6.010 -12.314 -3.047 1.00 0.00 N ATOM 1261 CA SER A 90 -5.182 -11.524 -3.950 1.00 0.00 C ATOM 1262 C SER A 90 -5.019 -10.099 -3.430 1.00 0.00 C ATOM 1263 O SER A 90 -5.901 -9.566 -2.756 1.00 0.00 O ATOM 1264 CB SER A 90 -5.796 -11.500 -5.351 1.00 0.00 C ATOM 1265 OG SER A 90 -7.034 -10.811 -5.353 1.00 0.00 O ATOM 0 H SER A 90 -6.859 -11.844 -2.733 1.00 0.00 H new ATOM 0 HA SER A 90 -4.198 -11.989 -4.001 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.107 -11.019 -6.045 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.944 -12.521 -5.704 1.00 0.00 H new ATOM 0 HG SER A 90 -7.405 -10.808 -6.260 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.883 -9.486 -3.747 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.603 -8.122 -3.314 1.00 0.00 C ATOM 1273 C VAL A 91 -2.666 -7.417 -4.288 1.00 0.00 C ATOM 1274 O VAL A 91 -1.515 -7.820 -4.463 1.00 0.00 O ATOM 1275 CB VAL A 91 -2.975 -8.098 -1.907 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -2.614 -6.675 -1.508 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -3.921 -8.722 -0.892 1.00 0.00 C ATOM 0 H VAL A 91 -3.141 -9.913 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.557 -7.596 -3.288 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.058 -8.688 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.172 -6.678 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.898 -6.268 -2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.513 -6.059 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.462 -8.697 0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.855 -8.161 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.124 -9.756 -1.172 1.00 0.00 H new ATOM 1287 N THR A 92 -3.166 -6.360 -4.922 1.00 0.00 N ATOM 1288 CA THR A 92 -2.374 -5.599 -5.880 1.00 0.00 C ATOM 1289 C THR A 92 -1.932 -4.264 -5.290 1.00 0.00 C ATOM 1290 O THR A 92 -2.717 -3.318 -5.211 1.00 0.00 O ATOM 1291 CB THR A 92 -3.162 -5.337 -7.177 1.00 0.00 C ATOM 1292 OG1 THR A 92 -3.564 -6.580 -7.765 1.00 0.00 O ATOM 1293 CG2 THR A 92 -2.323 -4.548 -8.170 1.00 0.00 C ATOM 0 H THR A 92 -4.116 -6.012 -4.789 1.00 0.00 H new ATOM 0 HA THR A 92 -1.495 -6.200 -6.112 1.00 0.00 H new ATOM 0 HB THR A 92 -4.046 -4.751 -6.927 1.00 0.00 H new ATOM 0 HG1 THR A 92 -4.066 -6.405 -8.589 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.901 -4.375 -9.078 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.043 -3.591 -7.730 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.423 -5.112 -8.415 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.672 -4.195 -4.877 1.00 0.00 N ATOM 1302 CA LEU A 93 -0.124 -2.974 -4.294 1.00 0.00 C ATOM 1303 C LEU A 93 0.412 -2.046 -5.379 1.00 0.00 C ATOM 1304 O LEU A 93 1.231 -2.447 -6.205 1.00 0.00 O ATOM 1305 CB LEU A 93 0.990 -3.315 -3.303 1.00 0.00 C ATOM 1306 CG LEU A 93 0.587 -4.186 -2.113 1.00 0.00 C ATOM 1307 CD1 LEU A 93 1.778 -4.425 -1.198 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.558 -3.542 -1.344 1.00 0.00 C ATOM 0 H LEU A 93 -0.010 -4.969 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.927 -2.460 -3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.788 -3.822 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.407 -2.383 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 93 0.247 -5.150 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.472 -5.047 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.568 -4.930 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.149 -3.470 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.832 -4.176 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.245 -2.564 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.418 -3.424 -2.003 1.00 0.00 H new ATOM 1320 N SER A 94 -0.055 -0.801 -5.369 1.00 0.00 N ATOM 1321 CA SER A 94 0.376 0.185 -6.353 1.00 0.00 C ATOM 1322 C SER A 94 1.247 1.256 -5.703 1.00 0.00 C ATOM 1323 O SER A 94 0.798 1.983 -4.817 1.00 0.00 O ATOM 1324 CB SER A 94 -0.838 0.835 -7.020 1.00 0.00 C ATOM 1325 OG SER A 94 -1.287 0.065 -8.122 1.00 0.00 O ATOM 0 H SER A 94 -0.732 -0.452 -4.690 1.00 0.00 H new ATOM 0 HA SER A 94 0.967 -0.329 -7.111 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.644 0.940 -6.293 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.579 1.839 -7.355 1.00 0.00 H new ATOM 0 HG SER A 94 -2.064 0.500 -8.530 1.00 0.00 H new ATOM 1331 N ILE A 95 2.495 1.346 -6.151 1.00 0.00 N ATOM 1332 CA ILE A 95 3.429 2.328 -5.615 1.00 0.00 C ATOM 1333 C ILE A 95 4.168 3.052 -6.735 1.00 0.00 C ATOM 1334 O ILE A 95 4.079 2.669 -7.902 1.00 0.00 O ATOM 1335 CB ILE A 95 4.459 1.671 -4.677 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.313 0.661 -5.448 1.00 0.00 C ATOM 1337 CG2 ILE A 95 3.757 0.996 -3.508 1.00 0.00 C ATOM 1338 CD1 ILE A 95 6.574 1.258 -6.032 1.00 0.00 C ATOM 0 H ILE A 95 2.882 0.751 -6.883 1.00 0.00 H new ATOM 0 HA ILE A 95 2.839 3.048 -5.047 1.00 0.00 H new ATOM 0 HB ILE A 95 5.115 2.447 -4.282 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.583 -0.158 -4.781 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.716 0.233 -6.254 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.499 0.536 -2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.189 1.738 -2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.080 0.229 -3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.130 0.486 -6.564 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.311 2.058 -6.724 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.191 1.661 -5.229 1.00 0.00 H new ATOM 1350 N VAL A 96 4.900 4.101 -6.373 1.00 0.00 N ATOM 1351 CA VAL A 96 5.657 4.878 -7.346 1.00 0.00 C ATOM 1352 C VAL A 96 7.125 4.467 -7.356 1.00 0.00 C ATOM 1353 O VAL A 96 7.743 4.309 -6.302 1.00 0.00 O ATOM 1354 CB VAL A 96 5.560 6.388 -7.057 1.00 0.00 C ATOM 1355 CG1 VAL A 96 6.367 7.180 -8.075 1.00 0.00 C ATOM 1356 CG2 VAL A 96 4.106 6.837 -7.052 1.00 0.00 C ATOM 0 H VAL A 96 4.984 4.432 -5.412 1.00 0.00 H new ATOM 0 HA VAL A 96 5.219 4.674 -8.323 1.00 0.00 H new ATOM 0 HB VAL A 96 5.979 6.579 -6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.286 8.244 -7.855 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.413 6.877 -8.025 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.981 6.986 -9.076 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.056 7.906 -6.846 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.659 6.633 -8.025 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.560 6.293 -6.281 1.00 0.00 H new