USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 540 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 67 SER OG : rot 180:sc= -0.0515 USER MOD Set 1.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 9 CYS SG : rot -34:sc= 0.607 USER MOD Set 2.2: A 41 LYS NZ :NH3+ 180:sc= 0.132 (180deg=-0.00777) USER MOD Set 3.1: A 15 HIS : no HD1:sc= -1.62 K(o=-0.54,f=-5.6!) USER MOD Set 3.2: A 16 THR OG1 : rot 71:sc= 1.09 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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 42:sc= -0.469 USER MOD Single : A 29 LYS NZ :NH3+ -169:sc=-0.000715 (180deg=-0.106) USER MOD Single : A 31 LYS NZ :NH3+ 144:sc= 0.0572 (180deg=-0.475) USER MOD Single : A 32 LYS NZ :NH3+ 160:sc= -0.0427 (180deg=-0.3) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -164:sc= -0.0528 (180deg=-0.37) USER MOD Single : A 52 ASN : amide:sc= -0.0519 K(o=-0.052,f=-1.5) USER MOD Single : A 53 ASN : amide:sc= -1.28 K(o=-1.3,f=-6.8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.391 -28.178 4.202 1.00 0.00 N ATOM 2 CA GLY A 1 11.496 -27.468 3.583 1.00 0.00 C ATOM 3 C GLY A 1 11.488 -25.988 3.909 1.00 0.00 C ATOM 4 O GLY A 1 12.307 -25.514 4.697 1.00 0.00 O ATOM 0 H1 GLY A 1 10.441 -29.186 3.949 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.449 -28.077 5.235 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.491 -27.781 3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.437 -27.905 3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.448 -27.599 2.502 1.00 0.00 H new ATOM 8 N SER A 2 10.562 -25.254 3.300 1.00 0.00 N ATOM 9 CA SER A 2 10.454 -23.818 3.525 1.00 0.00 C ATOM 10 C SER A 2 9.276 -23.498 4.440 1.00 0.00 C ATOM 11 O SER A 2 8.191 -24.060 4.292 1.00 0.00 O ATOM 12 CB SER A 2 10.296 -23.082 2.193 1.00 0.00 C ATOM 13 OG SER A 2 9.151 -23.536 1.493 1.00 0.00 O ATOM 0 H SER A 2 9.875 -25.631 2.647 1.00 0.00 H new ATOM 0 HA SER A 2 11.370 -23.482 4.011 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.215 -22.010 2.373 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.185 -23.236 1.581 1.00 0.00 H new ATOM 0 HG SER A 2 9.071 -23.049 0.646 1.00 0.00 H new ATOM 19 N SER A 3 9.498 -22.590 5.385 1.00 0.00 N ATOM 20 CA SER A 3 8.456 -22.196 6.327 1.00 0.00 C ATOM 21 C SER A 3 7.924 -20.805 5.999 1.00 0.00 C ATOM 22 O SER A 3 8.579 -20.024 5.309 1.00 0.00 O ATOM 23 CB SER A 3 8.997 -22.224 7.758 1.00 0.00 C ATOM 24 OG SER A 3 9.159 -23.555 8.216 1.00 0.00 O ATOM 0 H SER A 3 10.390 -22.113 5.519 1.00 0.00 H new ATOM 0 HA SER A 3 7.635 -22.908 6.242 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.954 -21.703 7.799 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.315 -21.689 8.419 1.00 0.00 H new ATOM 0 HG SER A 3 9.507 -23.546 9.132 1.00 0.00 H new ATOM 30 N GLY A 4 6.730 -20.501 6.498 1.00 0.00 N ATOM 31 CA GLY A 4 6.129 -19.204 6.248 1.00 0.00 C ATOM 32 C GLY A 4 6.717 -18.115 7.123 1.00 0.00 C ATOM 33 O GLY A 4 7.475 -18.395 8.051 1.00 0.00 O ATOM 0 H GLY A 4 6.168 -21.130 7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.268 -18.938 5.200 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.055 -19.265 6.422 1.00 0.00 H new ATOM 37 N SER A 5 6.367 -16.867 6.826 1.00 0.00 N ATOM 38 CA SER A 5 6.870 -15.730 7.588 1.00 0.00 C ATOM 39 C SER A 5 5.779 -15.152 8.484 1.00 0.00 C ATOM 40 O SER A 5 4.590 -15.382 8.260 1.00 0.00 O ATOM 41 CB SER A 5 7.397 -14.648 6.644 1.00 0.00 C ATOM 42 OG SER A 5 8.395 -13.863 7.274 1.00 0.00 O ATOM 0 H SER A 5 5.737 -16.618 6.063 1.00 0.00 H new ATOM 0 HA SER A 5 7.687 -16.080 8.219 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.807 -15.112 5.747 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.575 -14.008 6.324 1.00 0.00 H new ATOM 0 HG SER A 5 8.717 -13.180 6.649 1.00 0.00 H new ATOM 48 N SER A 6 6.192 -14.399 9.499 1.00 0.00 N ATOM 49 CA SER A 6 5.250 -13.790 10.432 1.00 0.00 C ATOM 50 C SER A 6 5.846 -12.536 11.063 1.00 0.00 C ATOM 51 O SER A 6 6.949 -12.565 11.607 1.00 0.00 O ATOM 52 CB SER A 6 4.863 -14.790 11.523 1.00 0.00 C ATOM 53 OG SER A 6 3.840 -14.267 12.354 1.00 0.00 O ATOM 0 H SER A 6 7.172 -14.196 9.696 1.00 0.00 H new ATOM 0 HA SER A 6 4.356 -13.506 9.876 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.525 -15.720 11.065 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.738 -15.032 12.126 1.00 0.00 H new ATOM 0 HG SER A 6 3.609 -14.925 13.042 1.00 0.00 H new ATOM 59 N GLY A 7 5.107 -11.434 10.986 1.00 0.00 N ATOM 60 CA GLY A 7 5.578 -10.184 11.553 1.00 0.00 C ATOM 61 C GLY A 7 4.657 -9.021 11.239 1.00 0.00 C ATOM 62 O GLY A 7 4.121 -8.381 12.144 1.00 0.00 O ATOM 0 H GLY A 7 4.190 -11.384 10.541 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.668 -10.290 12.634 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.575 -9.968 11.170 1.00 0.00 H new ATOM 66 N PHE A 8 4.473 -8.745 9.952 1.00 0.00 N ATOM 67 CA PHE A 8 3.613 -7.650 9.520 1.00 0.00 C ATOM 68 C PHE A 8 2.158 -8.100 9.440 1.00 0.00 C ATOM 69 O PHE A 8 1.869 -9.244 9.086 1.00 0.00 O ATOM 70 CB PHE A 8 4.071 -7.120 8.159 1.00 0.00 C ATOM 71 CG PHE A 8 5.512 -6.698 8.134 1.00 0.00 C ATOM 72 CD1 PHE A 8 5.877 -5.412 8.500 1.00 0.00 C ATOM 73 CD2 PHE A 8 6.501 -7.586 7.743 1.00 0.00 C ATOM 74 CE1 PHE A 8 7.202 -5.020 8.479 1.00 0.00 C ATOM 75 CE2 PHE A 8 7.828 -7.199 7.720 1.00 0.00 C ATOM 76 CZ PHE A 8 8.179 -5.915 8.087 1.00 0.00 C ATOM 0 H PHE A 8 4.908 -9.265 9.190 1.00 0.00 H new ATOM 0 HA PHE A 8 3.687 -6.850 10.257 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.914 -7.892 7.406 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.447 -6.271 7.880 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.117 -4.708 8.805 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.232 -8.591 7.453 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.473 -4.016 8.769 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.590 -7.901 7.415 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.215 -5.611 8.068 1.00 0.00 H new ATOM 86 N CYS A 9 1.245 -7.194 9.771 1.00 0.00 N ATOM 87 CA CYS A 9 -0.181 -7.497 9.739 1.00 0.00 C ATOM 88 C CYS A 9 -0.625 -7.874 8.329 1.00 0.00 C ATOM 89 O CYS A 9 -1.417 -8.797 8.143 1.00 0.00 O ATOM 90 CB CYS A 9 -0.990 -6.299 10.237 1.00 0.00 C ATOM 91 SG CYS A 9 -0.645 -4.758 9.357 1.00 0.00 S ATOM 0 H CYS A 9 1.467 -6.243 10.065 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.361 -8.347 10.397 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.052 -6.528 10.145 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.786 -6.152 11.298 1.00 0.00 H new ATOM 0 HG CYS A 9 0.609 -4.725 9.016 1.00 0.00 H new ATOM 97 N GLY A 10 -0.108 -7.153 7.339 1.00 0.00 N ATOM 98 CA GLY A 10 -0.464 -7.426 5.958 1.00 0.00 C ATOM 99 C GLY A 10 0.236 -6.499 4.985 1.00 0.00 C ATOM 100 O GLY A 10 1.112 -5.726 5.374 1.00 0.00 O ATOM 0 H GLY A 10 0.551 -6.385 7.468 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.210 -8.459 5.718 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.543 -7.327 5.838 1.00 0.00 H new ATOM 104 N ARG A 11 -0.148 -6.577 3.715 1.00 0.00 N ATOM 105 CA ARG A 11 0.451 -5.741 2.682 1.00 0.00 C ATOM 106 C ARG A 11 -0.611 -5.225 1.716 1.00 0.00 C ATOM 107 O ARG A 11 -1.732 -5.732 1.682 1.00 0.00 O ATOM 108 CB ARG A 11 1.516 -6.526 1.915 1.00 0.00 C ATOM 109 CG ARG A 11 0.952 -7.668 1.086 1.00 0.00 C ATOM 110 CD ARG A 11 2.056 -8.557 0.537 1.00 0.00 C ATOM 111 NE ARG A 11 2.507 -9.539 1.519 1.00 0.00 N ATOM 112 CZ ARG A 11 3.686 -10.149 1.461 1.00 0.00 C ATOM 113 NH1 ARG A 11 4.528 -9.878 0.474 1.00 0.00 N ATOM 114 NH2 ARG A 11 4.024 -11.031 2.393 1.00 0.00 N ATOM 0 H ARG A 11 -0.872 -7.211 3.377 1.00 0.00 H new ATOM 0 HA ARG A 11 0.920 -4.886 3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.056 -5.844 1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.241 -6.926 2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.275 -8.263 1.698 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.365 -7.265 0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.697 -9.073 -0.353 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.899 -7.939 0.229 1.00 0.00 H new ATOM 0 HE ARG A 11 1.883 -9.769 2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.272 -9.200 -0.243 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.432 -10.348 0.432 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.379 -11.241 3.154 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.929 -11.499 2.348 1.00 0.00 H new ATOM 128 N ALA A 12 -0.250 -4.214 0.933 1.00 0.00 N ATOM 129 CA ALA A 12 -1.171 -3.630 -0.034 1.00 0.00 C ATOM 130 C ALA A 12 -0.468 -3.339 -1.356 1.00 0.00 C ATOM 131 O ALA A 12 0.740 -3.105 -1.388 1.00 0.00 O ATOM 132 CB ALA A 12 -1.791 -2.359 0.527 1.00 0.00 C ATOM 0 H ALA A 12 0.674 -3.782 0.949 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.964 -4.353 -0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.476 -1.934 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.337 -2.593 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.004 -1.638 0.749 1.00 0.00 H new ATOM 138 N ARG A 13 -1.231 -3.356 -2.443 1.00 0.00 N ATOM 139 CA ARG A 13 -0.680 -3.096 -3.768 1.00 0.00 C ATOM 140 C ARG A 13 -0.973 -1.664 -4.207 1.00 0.00 C ATOM 141 O ARG A 13 -2.068 -1.147 -3.985 1.00 0.00 O ATOM 142 CB ARG A 13 -1.257 -4.081 -4.786 1.00 0.00 C ATOM 143 CG ARG A 13 -0.382 -4.270 -6.014 1.00 0.00 C ATOM 144 CD ARG A 13 -0.911 -5.380 -6.910 1.00 0.00 C ATOM 145 NE ARG A 13 -2.124 -4.980 -7.618 1.00 0.00 N ATOM 146 CZ ARG A 13 -2.537 -5.548 -8.745 1.00 0.00 C ATOM 147 NH1 ARG A 13 -1.839 -6.535 -9.290 1.00 0.00 N ATOM 148 NH2 ARG A 13 -3.652 -5.129 -9.330 1.00 0.00 N ATOM 0 H ARG A 13 -2.233 -3.547 -2.433 1.00 0.00 H new ATOM 0 HA ARG A 13 0.401 -3.228 -3.717 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.403 -5.047 -4.302 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.240 -3.731 -5.101 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.336 -3.338 -6.577 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.636 -4.505 -5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.144 -5.659 -7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.118 -6.265 -6.308 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.684 -4.223 -7.226 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.982 -6.860 -8.843 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.159 -6.969 -10.156 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.192 -4.370 -8.914 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.969 -5.566 -10.196 1.00 0.00 H new ATOM 162 N VAL A 14 0.014 -1.029 -4.831 1.00 0.00 N ATOM 163 CA VAL A 14 -0.137 0.343 -5.301 1.00 0.00 C ATOM 164 C VAL A 14 -0.618 0.378 -6.748 1.00 0.00 C ATOM 165 O VAL A 14 0.159 0.157 -7.677 1.00 0.00 O ATOM 166 CB VAL A 14 1.187 1.122 -5.194 1.00 0.00 C ATOM 167 CG1 VAL A 14 0.988 2.573 -5.608 1.00 0.00 C ATOM 168 CG2 VAL A 14 1.743 1.034 -3.781 1.00 0.00 C ATOM 0 H VAL A 14 0.926 -1.443 -5.023 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.882 0.817 -4.661 1.00 0.00 H new ATOM 0 HB VAL A 14 1.910 0.671 -5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.934 3.108 -5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.637 2.612 -6.639 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.250 3.040 -4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.679 1.590 -3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.024 1.459 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.925 -0.010 -3.526 1.00 0.00 H new ATOM 178 N HIS A 15 -1.905 0.657 -6.931 1.00 0.00 N ATOM 179 CA HIS A 15 -2.491 0.722 -8.265 1.00 0.00 C ATOM 180 C HIS A 15 -2.280 2.100 -8.884 1.00 0.00 C ATOM 181 O HIS A 15 -2.190 2.237 -10.105 1.00 0.00 O ATOM 182 CB HIS A 15 -3.984 0.400 -8.205 1.00 0.00 C ATOM 183 CG HIS A 15 -4.706 1.109 -7.101 1.00 0.00 C ATOM 184 ND1 HIS A 15 -5.121 2.421 -7.193 1.00 0.00 N ATOM 185 CD2 HIS A 15 -5.089 0.680 -5.875 1.00 0.00 C ATOM 186 CE1 HIS A 15 -5.725 2.769 -6.072 1.00 0.00 C ATOM 187 NE2 HIS A 15 -5.720 1.731 -5.255 1.00 0.00 N ATOM 0 H HIS A 15 -2.562 0.842 -6.173 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.992 -0.018 -8.891 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.443 0.665 -9.157 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -4.111 -0.675 -8.079 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.928 -0.305 -5.462 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.151 3.738 -5.859 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.120 1.713 -4.317 1.00 0.00 H new ATOM 195 N THR A 16 -2.202 3.120 -8.035 1.00 0.00 N ATOM 196 CA THR A 16 -2.003 4.487 -8.498 1.00 0.00 C ATOM 197 C THR A 16 -0.722 5.081 -7.926 1.00 0.00 C ATOM 198 O THR A 16 -0.554 5.164 -6.709 1.00 0.00 O ATOM 199 CB THR A 16 -3.191 5.389 -8.112 1.00 0.00 C ATOM 200 OG1 THR A 16 -4.400 4.880 -8.686 1.00 0.00 O ATOM 201 CG2 THR A 16 -2.962 6.817 -8.585 1.00 0.00 C ATOM 0 H THR A 16 -2.274 3.024 -7.022 1.00 0.00 H new ATOM 0 HA THR A 16 -1.926 4.444 -9.584 1.00 0.00 H new ATOM 0 HB THR A 16 -3.278 5.392 -7.025 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.658 4.054 -8.226 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.814 7.435 -8.301 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.057 7.212 -8.124 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.851 6.828 -9.669 1.00 0.00 H new ATOM 209 N ASP A 17 0.180 5.494 -8.810 1.00 0.00 N ATOM 210 CA ASP A 17 1.447 6.083 -8.393 1.00 0.00 C ATOM 211 C ASP A 17 1.244 7.509 -7.891 1.00 0.00 C ATOM 212 O ASP A 17 0.308 8.195 -8.300 1.00 0.00 O ATOM 213 CB ASP A 17 2.445 6.074 -9.552 1.00 0.00 C ATOM 214 CG ASP A 17 3.561 7.082 -9.363 1.00 0.00 C ATOM 215 OD1 ASP A 17 3.293 8.295 -9.493 1.00 0.00 O ATOM 216 OD2 ASP A 17 4.702 6.659 -9.084 1.00 0.00 O ATOM 0 H ASP A 17 0.057 5.432 -9.821 1.00 0.00 H new ATOM 0 HA ASP A 17 1.847 5.483 -7.576 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.873 5.077 -9.651 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.919 6.289 -10.482 1.00 0.00 H new ATOM 221 N PHE A 18 2.128 7.949 -7.001 1.00 0.00 N ATOM 222 CA PHE A 18 2.045 9.293 -6.442 1.00 0.00 C ATOM 223 C PHE A 18 3.414 9.770 -5.966 1.00 0.00 C ATOM 224 O PHE A 18 4.035 9.150 -5.101 1.00 0.00 O ATOM 225 CB PHE A 18 1.050 9.324 -5.280 1.00 0.00 C ATOM 226 CG PHE A 18 1.263 10.475 -4.339 1.00 0.00 C ATOM 227 CD1 PHE A 18 2.220 10.402 -3.340 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.506 11.630 -4.453 1.00 0.00 C ATOM 229 CE1 PHE A 18 2.418 11.460 -2.472 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.700 12.691 -3.589 1.00 0.00 C ATOM 231 CZ PHE A 18 1.658 12.606 -2.597 1.00 0.00 C ATOM 0 H PHE A 18 2.910 7.394 -6.652 1.00 0.00 H new ATOM 0 HA PHE A 18 1.698 9.965 -7.227 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.038 9.375 -5.680 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.126 8.390 -4.722 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.818 9.509 -3.238 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.245 11.702 -5.226 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.167 11.390 -1.697 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.103 13.586 -3.689 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.812 13.434 -1.921 1.00 0.00 H new ATOM 241 N THR A 19 3.881 10.875 -6.537 1.00 0.00 N ATOM 242 CA THR A 19 5.177 11.435 -6.174 1.00 0.00 C ATOM 243 C THR A 19 5.017 12.764 -5.444 1.00 0.00 C ATOM 244 O THR A 19 4.770 13.807 -6.050 1.00 0.00 O ATOM 245 CB THR A 19 6.065 11.648 -7.415 1.00 0.00 C ATOM 246 OG1 THR A 19 6.204 10.418 -8.135 1.00 0.00 O ATOM 247 CG2 THR A 19 7.438 12.166 -7.016 1.00 0.00 C ATOM 0 H THR A 19 3.381 11.401 -7.254 1.00 0.00 H new ATOM 0 HA THR A 19 5.658 10.715 -5.512 1.00 0.00 H new ATOM 0 HB THR A 19 5.586 12.390 -8.054 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.768 10.562 -8.923 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.047 12.309 -7.909 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.331 13.117 -6.494 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.922 11.444 -6.358 1.00 0.00 H new ATOM 255 N PRO A 20 5.162 12.728 -4.111 1.00 0.00 N ATOM 256 CA PRO A 20 5.038 13.922 -3.270 1.00 0.00 C ATOM 257 C PRO A 20 6.197 14.893 -3.468 1.00 0.00 C ATOM 258 O PRO A 20 7.039 14.700 -4.345 1.00 0.00 O ATOM 259 CB PRO A 20 5.052 13.357 -1.847 1.00 0.00 C ATOM 260 CG PRO A 20 5.785 12.065 -1.960 1.00 0.00 C ATOM 261 CD PRO A 20 5.457 11.520 -3.323 1.00 0.00 C ATOM 0 HA PRO A 20 4.142 14.496 -3.507 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.551 14.036 -1.156 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.040 13.207 -1.471 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.859 12.215 -1.848 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.476 11.372 -1.178 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.292 10.960 -3.744 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.603 10.843 -3.290 1.00 0.00 H new ATOM 269 N SER A 21 6.235 15.938 -2.647 1.00 0.00 N ATOM 270 CA SER A 21 7.290 16.941 -2.734 1.00 0.00 C ATOM 271 C SER A 21 8.643 16.341 -2.365 1.00 0.00 C ATOM 272 O SER A 21 8.739 15.399 -1.578 1.00 0.00 O ATOM 273 CB SER A 21 6.976 18.123 -1.815 1.00 0.00 C ATOM 274 OG SER A 21 5.779 18.772 -2.209 1.00 0.00 O ATOM 0 H SER A 21 5.547 16.112 -1.914 1.00 0.00 H new ATOM 0 HA SER A 21 7.338 17.293 -3.764 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.882 17.773 -0.787 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.802 18.833 -1.836 1.00 0.00 H new ATOM 0 HG SER A 21 5.600 19.523 -1.605 1.00 0.00 H new ATOM 280 N PRO A 22 9.715 16.898 -2.947 1.00 0.00 N ATOM 281 CA PRO A 22 11.083 16.435 -2.696 1.00 0.00 C ATOM 282 C PRO A 22 11.556 16.765 -1.284 1.00 0.00 C ATOM 283 O PRO A 22 12.595 16.278 -0.837 1.00 0.00 O ATOM 284 CB PRO A 22 11.912 17.200 -3.730 1.00 0.00 C ATOM 285 CG PRO A 22 11.118 18.427 -4.020 1.00 0.00 C ATOM 286 CD PRO A 22 9.674 18.024 -3.896 1.00 0.00 C ATOM 0 HA PRO A 22 11.168 15.352 -2.779 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.899 17.450 -3.340 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.067 16.606 -4.631 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.362 19.225 -3.319 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.334 18.804 -5.020 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.059 18.843 -3.522 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.256 17.725 -4.857 1.00 0.00 H new ATOM 294 N TYR A 23 10.787 17.593 -0.586 1.00 0.00 N ATOM 295 CA TYR A 23 11.129 17.989 0.775 1.00 0.00 C ATOM 296 C TYR A 23 10.565 16.998 1.789 1.00 0.00 C ATOM 297 O TYR A 23 11.263 16.569 2.708 1.00 0.00 O ATOM 298 CB TYR A 23 10.597 19.393 1.069 1.00 0.00 C ATOM 299 CG TYR A 23 11.226 20.470 0.213 1.00 0.00 C ATOM 300 CD1 TYR A 23 12.606 20.623 0.159 1.00 0.00 C ATOM 301 CD2 TYR A 23 10.441 21.334 -0.539 1.00 0.00 C ATOM 302 CE1 TYR A 23 13.185 21.606 -0.621 1.00 0.00 C ATOM 303 CE2 TYR A 23 11.011 22.319 -1.323 1.00 0.00 C ATOM 304 CZ TYR A 23 12.384 22.451 -1.360 1.00 0.00 C ATOM 305 OH TYR A 23 12.956 23.431 -2.138 1.00 0.00 O ATOM 0 H TYR A 23 9.923 18.003 -0.940 1.00 0.00 H new ATOM 0 HA TYR A 23 12.215 17.993 0.863 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.518 19.403 0.916 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.772 19.626 2.119 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.237 19.963 0.736 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.366 21.234 -0.511 1.00 0.00 H new ATOM 0 HE1 TYR A 23 14.259 21.712 -0.652 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.386 22.981 -1.903 1.00 0.00 H new ATOM 0 HH TYR A 23 12.253 23.938 -2.595 1.00 0.00 H new ATOM 315 N ASP A 24 9.299 16.638 1.613 1.00 0.00 N ATOM 316 CA ASP A 24 8.640 15.696 2.510 1.00 0.00 C ATOM 317 C ASP A 24 9.313 14.328 2.451 1.00 0.00 C ATOM 318 O ASP A 24 9.248 13.635 1.435 1.00 0.00 O ATOM 319 CB ASP A 24 7.159 15.566 2.150 1.00 0.00 C ATOM 320 CG ASP A 24 6.331 15.020 3.296 1.00 0.00 C ATOM 321 OD1 ASP A 24 6.903 14.331 4.166 1.00 0.00 O ATOM 322 OD2 ASP A 24 5.110 15.282 3.323 1.00 0.00 O ATOM 0 H ASP A 24 8.708 16.984 0.857 1.00 0.00 H new ATOM 0 HA ASP A 24 8.726 16.080 3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.772 16.542 1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.054 14.911 1.285 1.00 0.00 H new ATOM 327 N THR A 25 9.961 13.945 3.547 1.00 0.00 N ATOM 328 CA THR A 25 10.648 12.661 3.619 1.00 0.00 C ATOM 329 C THR A 25 9.699 11.554 4.063 1.00 0.00 C ATOM 330 O THR A 25 9.702 10.458 3.502 1.00 0.00 O ATOM 331 CB THR A 25 11.842 12.718 4.590 1.00 0.00 C ATOM 332 OG1 THR A 25 12.478 11.436 4.659 1.00 0.00 O ATOM 333 CG2 THR A 25 11.391 13.141 5.980 1.00 0.00 C ATOM 0 H THR A 25 10.024 14.506 4.397 1.00 0.00 H new ATOM 0 HA THR A 25 11.014 12.441 2.616 1.00 0.00 H new ATOM 0 HB THR A 25 12.551 13.456 4.216 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.237 11.480 5.277 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.252 13.174 6.648 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.933 14.129 5.929 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.664 12.424 6.361 1.00 0.00 H new ATOM 341 N ASP A 26 8.887 11.847 5.073 1.00 0.00 N ATOM 342 CA ASP A 26 7.930 10.875 5.591 1.00 0.00 C ATOM 343 C ASP A 26 7.081 10.295 4.465 1.00 0.00 C ATOM 344 O ASP A 26 6.899 9.081 4.373 1.00 0.00 O ATOM 345 CB ASP A 26 7.030 11.526 6.643 1.00 0.00 C ATOM 346 CG ASP A 26 7.805 12.402 7.607 1.00 0.00 C ATOM 347 OD1 ASP A 26 8.333 11.865 8.604 1.00 0.00 O ATOM 348 OD2 ASP A 26 7.885 13.624 7.365 1.00 0.00 O ATOM 0 H ASP A 26 8.872 12.749 5.549 1.00 0.00 H new ATOM 0 HA ASP A 26 8.489 10.062 6.055 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.268 12.125 6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.509 10.749 7.202 1.00 0.00 H new ATOM 353 N SER A 27 6.562 11.171 3.610 1.00 0.00 N ATOM 354 CA SER A 27 5.727 10.746 2.493 1.00 0.00 C ATOM 355 C SER A 27 6.462 9.733 1.620 1.00 0.00 C ATOM 356 O SER A 27 7.378 10.085 0.877 1.00 0.00 O ATOM 357 CB SER A 27 5.312 11.955 1.651 1.00 0.00 C ATOM 358 OG SER A 27 6.439 12.730 1.282 1.00 0.00 O ATOM 0 H SER A 27 6.705 12.179 3.670 1.00 0.00 H new ATOM 0 HA SER A 27 4.834 10.270 2.899 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.790 11.617 0.756 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.611 12.571 2.214 1.00 0.00 H new ATOM 0 HG SER A 27 7.175 12.136 1.027 1.00 0.00 H new ATOM 364 N LEU A 28 6.053 8.473 1.717 1.00 0.00 N ATOM 365 CA LEU A 28 6.671 7.406 0.938 1.00 0.00 C ATOM 366 C LEU A 28 6.303 7.526 -0.537 1.00 0.00 C ATOM 367 O LEU A 28 5.143 7.749 -0.883 1.00 0.00 O ATOM 368 CB LEU A 28 6.239 6.040 1.474 1.00 0.00 C ATOM 369 CG LEU A 28 6.522 5.779 2.954 1.00 0.00 C ATOM 370 CD1 LEU A 28 5.766 4.550 3.433 1.00 0.00 C ATOM 371 CD2 LEU A 28 8.016 5.615 3.190 1.00 0.00 C ATOM 0 H LEU A 28 5.296 8.165 2.327 1.00 0.00 H new ATOM 0 HA LEU A 28 7.753 7.500 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.168 5.928 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.737 5.268 0.888 1.00 0.00 H new ATOM 0 HG LEU A 28 6.176 6.639 3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.980 4.380 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.696 4.707 3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.080 3.681 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.199 5.430 4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.386 4.773 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.534 6.524 2.886 1.00 0.00 H new ATOM 383 N LYS A 29 7.299 7.375 -1.404 1.00 0.00 N ATOM 384 CA LYS A 29 7.080 7.462 -2.843 1.00 0.00 C ATOM 385 C LYS A 29 6.366 6.218 -3.362 1.00 0.00 C ATOM 386 O LYS A 29 6.952 5.137 -3.431 1.00 0.00 O ATOM 387 CB LYS A 29 8.414 7.638 -3.572 1.00 0.00 C ATOM 388 CG LYS A 29 8.288 8.350 -4.909 1.00 0.00 C ATOM 389 CD LYS A 29 9.605 8.350 -5.667 1.00 0.00 C ATOM 390 CE LYS A 29 10.636 9.242 -4.992 1.00 0.00 C ATOM 391 NZ LYS A 29 10.296 10.685 -5.129 1.00 0.00 N ATOM 0 H LYS A 29 8.266 7.192 -1.135 1.00 0.00 H new ATOM 0 HA LYS A 29 6.448 8.329 -3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.096 8.200 -2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.863 6.658 -3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.521 7.863 -5.511 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.961 9.377 -4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.989 7.332 -5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.438 8.693 -6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.703 8.984 -3.935 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.617 9.057 -5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.105 11.263 -4.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.074 10.896 -6.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.471 10.905 -4.535 1.00 0.00 H new ATOM 405 N LEU A 30 5.099 6.379 -3.727 1.00 0.00 N ATOM 406 CA LEU A 30 4.305 5.268 -4.242 1.00 0.00 C ATOM 407 C LEU A 30 4.471 5.134 -5.752 1.00 0.00 C ATOM 408 O LEU A 30 4.623 6.128 -6.462 1.00 0.00 O ATOM 409 CB LEU A 30 2.828 5.468 -3.896 1.00 0.00 C ATOM 410 CG LEU A 30 2.516 5.755 -2.427 1.00 0.00 C ATOM 411 CD1 LEU A 30 1.062 6.170 -2.261 1.00 0.00 C ATOM 412 CD2 LEU A 30 2.826 4.538 -1.568 1.00 0.00 C ATOM 0 H LEU A 30 4.599 7.267 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 30 4.661 4.351 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.443 6.292 -4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.281 4.574 -4.195 1.00 0.00 H new ATOM 0 HG LEU A 30 3.148 6.579 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.859 6.370 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.872 7.070 -2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.412 5.367 -2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.598 4.761 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.220 3.695 -1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.882 4.286 -1.662 1.00 0.00 H new ATOM 424 N LYS A 31 4.440 3.897 -6.238 1.00 0.00 N ATOM 425 CA LYS A 31 4.583 3.631 -7.664 1.00 0.00 C ATOM 426 C LYS A 31 3.673 2.486 -8.098 1.00 0.00 C ATOM 427 O LYS A 31 3.394 1.573 -7.322 1.00 0.00 O ATOM 428 CB LYS A 31 6.039 3.294 -7.997 1.00 0.00 C ATOM 429 CG LYS A 31 6.435 3.648 -9.420 1.00 0.00 C ATOM 430 CD LYS A 31 6.187 2.490 -10.372 1.00 0.00 C ATOM 431 CE LYS A 31 6.075 2.966 -11.812 1.00 0.00 C ATOM 432 NZ LYS A 31 5.576 1.892 -12.715 1.00 0.00 N ATOM 0 H LYS A 31 4.317 3.063 -5.664 1.00 0.00 H new ATOM 0 HA LYS A 31 4.291 4.530 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.693 3.823 -7.304 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.202 2.228 -7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.869 4.519 -9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.489 3.923 -9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.000 1.769 -10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.271 1.973 -10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.402 3.822 -11.860 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.051 3.307 -12.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.962 2.309 -13.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.382 1.419 -13.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.035 1.197 -12.162 1.00 0.00 H new ATOM 446 N LYS A 32 3.214 2.542 -9.344 1.00 0.00 N ATOM 447 CA LYS A 32 2.338 1.509 -9.883 1.00 0.00 C ATOM 448 C LYS A 32 3.027 0.148 -9.867 1.00 0.00 C ATOM 449 O LYS A 32 3.985 -0.083 -10.604 1.00 0.00 O ATOM 450 CB LYS A 32 1.918 1.862 -11.312 1.00 0.00 C ATOM 451 CG LYS A 32 0.724 1.065 -11.810 1.00 0.00 C ATOM 452 CD LYS A 32 0.600 1.134 -13.323 1.00 0.00 C ATOM 453 CE LYS A 32 -0.817 0.823 -13.780 1.00 0.00 C ATOM 454 NZ LYS A 32 -1.770 1.905 -13.407 1.00 0.00 N ATOM 0 H LYS A 32 3.434 3.292 -9.999 1.00 0.00 H new ATOM 0 HA LYS A 32 1.451 1.455 -9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.680 2.925 -11.360 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.761 1.694 -11.982 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.824 0.025 -11.499 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.187 1.448 -11.351 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.885 2.128 -13.668 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.294 0.428 -13.779 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.828 0.686 -14.861 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.144 -0.118 -13.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.620 1.840 -14.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.039 1.802 -12.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.318 2.831 -13.550 1.00 0.00 H new ATOM 468 N GLY A 33 2.531 -0.751 -9.022 1.00 0.00 N ATOM 469 CA GLY A 33 3.111 -2.078 -8.927 1.00 0.00 C ATOM 470 C GLY A 33 4.177 -2.170 -7.853 1.00 0.00 C ATOM 471 O GLY A 33 5.256 -2.714 -8.085 1.00 0.00 O ATOM 0 H GLY A 33 1.738 -0.584 -8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.323 -2.801 -8.715 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.544 -2.351 -9.889 1.00 0.00 H new ATOM 475 N ASP A 34 3.875 -1.635 -6.675 1.00 0.00 N ATOM 476 CA ASP A 34 4.816 -1.658 -5.561 1.00 0.00 C ATOM 477 C ASP A 34 4.159 -2.225 -4.306 1.00 0.00 C ATOM 478 O ASP A 34 3.044 -1.843 -3.951 1.00 0.00 O ATOM 479 CB ASP A 34 5.344 -0.250 -5.283 1.00 0.00 C ATOM 480 CG ASP A 34 6.474 0.139 -6.216 1.00 0.00 C ATOM 481 OD1 ASP A 34 6.318 -0.039 -7.442 1.00 0.00 O ATOM 482 OD2 ASP A 34 7.514 0.622 -5.721 1.00 0.00 O ATOM 0 H ASP A 34 2.986 -1.180 -6.467 1.00 0.00 H new ATOM 0 HA ASP A 34 5.650 -2.303 -5.836 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.529 0.467 -5.385 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.692 -0.193 -4.252 1.00 0.00 H new ATOM 487 N ILE A 35 4.857 -3.140 -3.642 1.00 0.00 N ATOM 488 CA ILE A 35 4.341 -3.760 -2.427 1.00 0.00 C ATOM 489 C ILE A 35 4.775 -2.984 -1.188 1.00 0.00 C ATOM 490 O ILE A 35 5.953 -2.669 -1.021 1.00 0.00 O ATOM 491 CB ILE A 35 4.813 -5.220 -2.296 1.00 0.00 C ATOM 492 CG1 ILE A 35 4.351 -6.038 -3.504 1.00 0.00 C ATOM 493 CG2 ILE A 35 4.291 -5.831 -1.005 1.00 0.00 C ATOM 494 CD1 ILE A 35 2.848 -6.062 -3.678 1.00 0.00 C ATOM 0 H ILE A 35 5.781 -3.468 -3.924 1.00 0.00 H new ATOM 0 HA ILE A 35 3.254 -3.744 -2.501 1.00 0.00 H new ATOM 0 HB ILE A 35 5.903 -5.233 -2.267 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.807 -5.629 -4.406 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.713 -7.061 -3.400 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.633 -6.863 -0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.664 -5.260 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.201 -5.809 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.593 -6.660 -4.553 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.386 -6.499 -2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.481 -5.045 -3.814 1.00 0.00 H new ATOM 506 N ILE A 36 3.815 -2.682 -0.320 1.00 0.00 N ATOM 507 CA ILE A 36 4.098 -1.946 0.906 1.00 0.00 C ATOM 508 C ILE A 36 3.689 -2.750 2.136 1.00 0.00 C ATOM 509 O ILE A 36 2.519 -3.096 2.303 1.00 0.00 O ATOM 510 CB ILE A 36 3.372 -0.589 0.928 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.804 0.265 -0.265 1.00 0.00 C ATOM 512 CG2 ILE A 36 3.649 0.139 2.235 1.00 0.00 C ATOM 513 CD1 ILE A 36 2.893 1.445 -0.526 1.00 0.00 C ATOM 0 H ILE A 36 2.835 -2.936 -0.443 1.00 0.00 H new ATOM 0 HA ILE A 36 5.174 -1.773 0.929 1.00 0.00 H new ATOM 0 HB ILE A 36 2.299 -0.767 0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.817 0.629 -0.093 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.838 -0.361 -1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.129 1.097 2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.296 -0.466 3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.721 0.308 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.260 2.005 -1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.884 1.087 -0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.878 2.094 0.350 1.00 0.00 H new ATOM 525 N ASP A 37 4.659 -3.040 2.995 1.00 0.00 N ATOM 526 CA ASP A 37 4.400 -3.801 4.213 1.00 0.00 C ATOM 527 C ASP A 37 3.638 -2.956 5.229 1.00 0.00 C ATOM 528 O ASP A 37 4.207 -2.067 5.863 1.00 0.00 O ATOM 529 CB ASP A 37 5.714 -4.292 4.822 1.00 0.00 C ATOM 530 CG ASP A 37 6.191 -5.589 4.200 1.00 0.00 C ATOM 531 OD1 ASP A 37 5.811 -5.869 3.044 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.946 -6.325 4.869 1.00 0.00 O ATOM 0 H ASP A 37 5.632 -2.760 2.871 1.00 0.00 H new ATOM 0 HA ASP A 37 3.786 -4.663 3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.480 -3.527 4.692 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.583 -4.433 5.895 1.00 0.00 H new ATOM 537 N ILE A 38 2.348 -3.238 5.377 1.00 0.00 N ATOM 538 CA ILE A 38 1.509 -2.505 6.316 1.00 0.00 C ATOM 539 C ILE A 38 1.908 -2.801 7.758 1.00 0.00 C ATOM 540 O ILE A 38 1.912 -3.956 8.186 1.00 0.00 O ATOM 541 CB ILE A 38 0.019 -2.847 6.126 1.00 0.00 C ATOM 542 CG1 ILE A 38 -0.413 -2.561 4.687 1.00 0.00 C ATOM 543 CG2 ILE A 38 -0.835 -2.059 7.108 1.00 0.00 C ATOM 544 CD1 ILE A 38 -1.800 -3.070 4.360 1.00 0.00 C ATOM 0 H ILE A 38 1.861 -3.969 4.858 1.00 0.00 H new ATOM 0 HA ILE A 38 1.659 -1.445 6.111 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.122 -3.910 6.323 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.379 -1.486 4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.303 -3.017 4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.885 -2.312 6.961 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.541 -2.308 8.128 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.692 -0.992 6.940 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.040 -2.832 3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.834 -4.150 4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.527 -2.595 5.019 1.00 0.00 H new ATOM 556 N ILE A 39 2.240 -1.751 8.502 1.00 0.00 N ATOM 557 CA ILE A 39 2.637 -1.899 9.896 1.00 0.00 C ATOM 558 C ILE A 39 1.454 -1.675 10.831 1.00 0.00 C ATOM 559 O ILE A 39 1.264 -2.415 11.797 1.00 0.00 O ATOM 560 CB ILE A 39 3.763 -0.917 10.268 1.00 0.00 C ATOM 561 CG1 ILE A 39 5.005 -1.184 9.414 1.00 0.00 C ATOM 562 CG2 ILE A 39 4.097 -1.029 11.748 1.00 0.00 C ATOM 563 CD1 ILE A 39 6.061 -0.107 9.530 1.00 0.00 C ATOM 0 H ILE A 39 2.242 -0.789 8.162 1.00 0.00 H new ATOM 0 HA ILE A 39 3.002 -2.919 10.013 1.00 0.00 H new ATOM 0 HB ILE A 39 3.420 0.098 10.069 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.439 -2.140 9.707 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.705 -1.277 8.370 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.895 -0.328 11.995 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.212 -0.794 12.339 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.424 -2.045 11.971 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.912 -0.362 8.898 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.644 0.848 9.209 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.389 -0.029 10.567 1.00 0.00 H new ATOM 575 N SER A 40 0.659 -0.651 10.537 1.00 0.00 N ATOM 576 CA SER A 40 -0.506 -0.328 11.353 1.00 0.00 C ATOM 577 C SER A 40 -1.570 0.383 10.522 1.00 0.00 C ATOM 578 O SER A 40 -1.274 1.322 9.784 1.00 0.00 O ATOM 579 CB SER A 40 -0.097 0.549 12.538 1.00 0.00 C ATOM 580 OG SER A 40 -1.027 0.434 13.601 1.00 0.00 O ATOM 0 H SER A 40 0.800 -0.031 9.740 1.00 0.00 H new ATOM 0 HA SER A 40 -0.927 -1.261 11.729 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.895 0.258 12.885 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.031 1.589 12.219 1.00 0.00 H new ATOM 0 HG SER A 40 -0.743 1.002 14.347 1.00 0.00 H new ATOM 586 N LYS A 41 -2.812 -0.072 10.649 1.00 0.00 N ATOM 587 CA LYS A 41 -3.923 0.519 9.913 1.00 0.00 C ATOM 588 C LYS A 41 -4.954 1.112 10.868 1.00 0.00 C ATOM 589 O LYS A 41 -5.764 0.401 11.465 1.00 0.00 O ATOM 590 CB LYS A 41 -4.585 -0.532 9.018 1.00 0.00 C ATOM 591 CG LYS A 41 -3.617 -1.224 8.075 1.00 0.00 C ATOM 592 CD LYS A 41 -4.346 -2.120 7.087 1.00 0.00 C ATOM 593 CE LYS A 41 -4.831 -3.401 7.749 1.00 0.00 C ATOM 594 NZ LYS A 41 -3.725 -4.379 7.940 1.00 0.00 N ATOM 0 H LYS A 41 -3.074 -0.849 11.255 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.528 1.321 9.290 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.065 -1.282 9.647 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.371 -0.055 8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.039 -0.476 7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.908 -1.818 8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.196 -1.583 6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.682 -2.366 6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.277 -3.164 8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.613 -3.852 7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.096 -5.238 8.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.315 -4.625 7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.990 -3.958 8.544 1.00 0.00 H new ATOM 608 N PRO A 42 -4.928 2.445 11.016 1.00 0.00 N ATOM 609 CA PRO A 42 -5.855 3.162 11.895 1.00 0.00 C ATOM 610 C PRO A 42 -7.284 3.152 11.363 1.00 0.00 C ATOM 611 O PRO A 42 -7.541 2.794 10.213 1.00 0.00 O ATOM 612 CB PRO A 42 -5.300 4.589 11.908 1.00 0.00 C ATOM 613 CG PRO A 42 -4.555 4.717 10.624 1.00 0.00 C ATOM 614 CD PRO A 42 -3.990 3.354 10.335 1.00 0.00 C ATOM 0 HA PRO A 42 -5.916 2.704 12.882 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.101 5.325 11.976 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.645 4.751 12.764 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.215 5.044 9.821 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.761 5.459 10.706 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.945 3.156 9.264 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.976 3.249 10.722 1.00 0.00 H new ATOM 622 N PRO A 43 -8.237 3.553 12.217 1.00 0.00 N ATOM 623 CA PRO A 43 -9.657 3.600 11.854 1.00 0.00 C ATOM 624 C PRO A 43 -9.961 4.701 10.843 1.00 0.00 C ATOM 625 O PRO A 43 -10.799 4.530 9.959 1.00 0.00 O ATOM 626 CB PRO A 43 -10.354 3.889 13.185 1.00 0.00 C ATOM 627 CG PRO A 43 -9.325 4.583 14.009 1.00 0.00 C ATOM 628 CD PRO A 43 -8.003 3.993 13.602 1.00 0.00 C ATOM 0 HA PRO A 43 -9.986 2.677 11.376 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.235 4.515 13.043 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.690 2.969 13.664 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.344 5.658 13.832 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.509 4.432 15.073 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.200 4.728 13.660 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.720 3.160 14.246 1.00 0.00 H new ATOM 636 N MET A 44 -9.273 5.830 10.980 1.00 0.00 N ATOM 637 CA MET A 44 -9.470 6.958 10.077 1.00 0.00 C ATOM 638 C MET A 44 -8.242 7.864 10.064 1.00 0.00 C ATOM 639 O MET A 44 -7.709 8.217 11.115 1.00 0.00 O ATOM 640 CB MET A 44 -10.706 7.760 10.489 1.00 0.00 C ATOM 641 CG MET A 44 -10.648 8.273 11.919 1.00 0.00 C ATOM 642 SD MET A 44 -11.386 7.126 13.099 1.00 0.00 S ATOM 643 CE MET A 44 -12.840 8.043 13.599 1.00 0.00 C ATOM 0 H MET A 44 -8.575 5.988 11.707 1.00 0.00 H new ATOM 0 HA MET A 44 -9.621 6.565 9.072 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.822 8.607 9.812 1.00 0.00 H new ATOM 0 HB3 MET A 44 -11.591 7.134 10.372 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.609 8.453 12.194 1.00 0.00 H new ATOM 0 HG3 MET A 44 -11.164 9.231 11.978 1.00 0.00 H new ATOM 0 HE1 MET A 44 -13.403 7.462 14.330 1.00 0.00 H new ATOM 0 HE2 MET A 44 -12.537 8.991 14.044 1.00 0.00 H new ATOM 0 HE3 MET A 44 -13.467 8.235 12.728 1.00 0.00 H new ATOM 653 N GLY A 45 -7.800 8.236 8.867 1.00 0.00 N ATOM 654 CA GLY A 45 -6.638 9.097 8.740 1.00 0.00 C ATOM 655 C GLY A 45 -5.679 8.623 7.666 1.00 0.00 C ATOM 656 O GLY A 45 -6.061 8.469 6.505 1.00 0.00 O ATOM 0 H GLY A 45 -8.225 7.957 7.983 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.965 10.111 8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.116 9.140 9.696 1.00 0.00 H new ATOM 660 N THR A 46 -4.428 8.391 8.053 1.00 0.00 N ATOM 661 CA THR A 46 -3.411 7.934 7.114 1.00 0.00 C ATOM 662 C THR A 46 -2.846 6.581 7.531 1.00 0.00 C ATOM 663 O THR A 46 -2.753 6.277 8.720 1.00 0.00 O ATOM 664 CB THR A 46 -2.256 8.947 7.001 1.00 0.00 C ATOM 665 OG1 THR A 46 -2.762 10.282 7.112 1.00 0.00 O ATOM 666 CG2 THR A 46 -1.523 8.786 5.678 1.00 0.00 C ATOM 0 H THR A 46 -4.095 8.512 9.010 1.00 0.00 H new ATOM 0 HA THR A 46 -3.897 7.838 6.143 1.00 0.00 H new ATOM 0 HB THR A 46 -1.554 8.756 7.813 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.021 10.920 7.041 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.712 9.512 5.621 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.114 7.778 5.609 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.218 8.953 4.855 1.00 0.00 H new ATOM 674 N TRP A 47 -2.470 5.773 6.546 1.00 0.00 N ATOM 675 CA TRP A 47 -1.913 4.452 6.812 1.00 0.00 C ATOM 676 C TRP A 47 -0.390 4.498 6.837 1.00 0.00 C ATOM 677 O TRP A 47 0.221 5.417 6.292 1.00 0.00 O ATOM 678 CB TRP A 47 -2.388 3.454 5.755 1.00 0.00 C ATOM 679 CG TRP A 47 -3.741 2.878 6.046 1.00 0.00 C ATOM 680 CD1 TRP A 47 -4.677 3.378 6.906 1.00 0.00 C ATOM 681 CD2 TRP A 47 -4.307 1.691 5.480 1.00 0.00 C ATOM 682 NE1 TRP A 47 -5.791 2.574 6.907 1.00 0.00 N ATOM 683 CE2 TRP A 47 -5.590 1.533 6.041 1.00 0.00 C ATOM 684 CE3 TRP A 47 -3.857 0.748 4.552 1.00 0.00 C ATOM 685 CZ2 TRP A 47 -6.423 0.469 5.704 1.00 0.00 C ATOM 686 CZ3 TRP A 47 -4.685 -0.307 4.220 1.00 0.00 C ATOM 687 CH2 TRP A 47 -5.956 -0.439 4.793 1.00 0.00 C ATOM 0 H TRP A 47 -2.541 6.010 5.556 1.00 0.00 H new ATOM 0 HA TRP A 47 -2.264 4.128 7.792 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -2.413 3.949 4.784 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.664 2.643 5.681 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -4.559 4.274 7.498 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.632 2.728 7.463 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -2.880 0.842 4.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.403 0.364 6.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.346 -1.043 3.506 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.580 -1.274 4.510 1.00 0.00 H new ATOM 698 N MET A 48 0.218 3.502 7.473 1.00 0.00 N ATOM 699 CA MET A 48 1.671 3.430 7.567 1.00 0.00 C ATOM 700 C MET A 48 2.178 2.062 7.121 1.00 0.00 C ATOM 701 O MET A 48 1.453 1.069 7.187 1.00 0.00 O ATOM 702 CB MET A 48 2.126 3.712 9.001 1.00 0.00 C ATOM 703 CG MET A 48 3.598 3.419 9.240 1.00 0.00 C ATOM 704 SD MET A 48 4.091 3.695 10.953 1.00 0.00 S ATOM 705 CE MET A 48 3.890 5.470 11.080 1.00 0.00 C ATOM 0 H MET A 48 -0.273 2.734 7.931 1.00 0.00 H new ATOM 0 HA MET A 48 2.090 4.187 6.905 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.929 4.758 9.237 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.528 3.112 9.688 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.808 2.385 8.968 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.201 4.049 8.586 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.414 5.833 11.964 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.304 5.947 10.192 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.830 5.711 11.161 1.00 0.00 H new ATOM 715 N GLY A 49 3.427 2.017 6.667 1.00 0.00 N ATOM 716 CA GLY A 49 4.008 0.765 6.217 1.00 0.00 C ATOM 717 C GLY A 49 5.464 0.911 5.823 1.00 0.00 C ATOM 718 O GLY A 49 5.923 2.010 5.509 1.00 0.00 O ATOM 0 H GLY A 49 4.047 2.825 6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.922 0.022 7.010 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.440 0.390 5.366 1.00 0.00 H new ATOM 722 N LEU A 50 6.194 -0.199 5.839 1.00 0.00 N ATOM 723 CA LEU A 50 7.608 -0.190 5.482 1.00 0.00 C ATOM 724 C LEU A 50 7.804 -0.589 4.023 1.00 0.00 C ATOM 725 O LEU A 50 7.470 -1.706 3.623 1.00 0.00 O ATOM 726 CB LEU A 50 8.390 -1.140 6.391 1.00 0.00 C ATOM 727 CG LEU A 50 9.907 -1.155 6.201 1.00 0.00 C ATOM 728 CD1 LEU A 50 10.562 -0.074 7.046 1.00 0.00 C ATOM 729 CD2 LEU A 50 10.474 -2.523 6.548 1.00 0.00 C ATOM 0 H LEU A 50 5.830 -1.117 6.095 1.00 0.00 H new ATOM 0 HA LEU A 50 7.984 0.824 5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.176 -0.877 7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.014 -2.151 6.235 1.00 0.00 H new ATOM 0 HG LEU A 50 10.125 -0.949 5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.642 -0.100 6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.179 0.902 6.749 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.336 -0.248 8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.555 -2.515 6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.245 -2.759 7.587 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.029 -3.277 5.899 1.00 0.00 H new ATOM 741 N LEU A 51 8.348 0.328 3.232 1.00 0.00 N ATOM 742 CA LEU A 51 8.591 0.072 1.816 1.00 0.00 C ATOM 743 C LEU A 51 10.065 0.261 1.474 1.00 0.00 C ATOM 744 O LEU A 51 10.604 1.360 1.594 1.00 0.00 O ATOM 745 CB LEU A 51 7.732 1.000 0.955 1.00 0.00 C ATOM 746 CG LEU A 51 8.091 1.060 -0.530 1.00 0.00 C ATOM 747 CD1 LEU A 51 7.803 -0.274 -1.203 1.00 0.00 C ATOM 748 CD2 LEU A 51 7.328 2.182 -1.218 1.00 0.00 C ATOM 0 H LEU A 51 8.630 1.256 3.547 1.00 0.00 H new ATOM 0 HA LEU A 51 8.319 -0.962 1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.692 0.687 1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.798 2.008 1.365 1.00 0.00 H new ATOM 0 HG LEU A 51 9.158 1.266 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.065 -0.213 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.394 -1.057 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.743 -0.510 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.596 2.210 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.257 2.007 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.584 3.134 -0.754 1.00 0.00 H new ATOM 760 N ASN A 52 10.711 -0.819 1.045 1.00 0.00 N ATOM 761 CA ASN A 52 12.123 -0.771 0.683 1.00 0.00 C ATOM 762 C ASN A 52 12.975 -0.338 1.872 1.00 0.00 C ATOM 763 O ASN A 52 13.849 0.518 1.743 1.00 0.00 O ATOM 764 CB ASN A 52 12.338 0.188 -0.490 1.00 0.00 C ATOM 765 CG ASN A 52 12.078 -0.470 -1.831 1.00 0.00 C ATOM 766 OD1 ASN A 52 11.647 -1.621 -1.897 1.00 0.00 O ATOM 767 ND2 ASN A 52 12.340 0.260 -2.909 1.00 0.00 N ATOM 0 H ASN A 52 10.279 -1.737 0.940 1.00 0.00 H new ATOM 0 HA ASN A 52 12.430 -1.773 0.385 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.679 1.049 -0.377 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.361 0.564 -0.465 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.185 -0.130 -3.839 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.696 1.210 -2.807 1.00 0.00 H new ATOM 774 N ASN A 53 12.714 -0.938 3.029 1.00 0.00 N ATOM 775 CA ASN A 53 13.457 -0.615 4.242 1.00 0.00 C ATOM 776 C ASN A 53 13.294 0.859 4.603 1.00 0.00 C ATOM 777 O ASN A 53 14.245 1.513 5.031 1.00 0.00 O ATOM 778 CB ASN A 53 14.940 -0.946 4.060 1.00 0.00 C ATOM 779 CG ASN A 53 15.154 -2.284 3.380 1.00 0.00 C ATOM 780 OD1 ASN A 53 14.730 -2.490 2.242 1.00 0.00 O ATOM 781 ND2 ASN A 53 15.815 -3.202 4.076 1.00 0.00 N ATOM 0 H ASN A 53 11.994 -1.650 3.152 1.00 0.00 H new ATOM 0 HA ASN A 53 13.054 -1.217 5.056 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.415 -0.162 3.470 1.00 0.00 H new ATOM 0 HB3 ASN A 53 15.430 -0.954 5.034 1.00 0.00 H new ATOM 0 HD21 ASN A 53 15.990 -4.122 3.671 1.00 0.00 H new ATOM 0 HD22 ASN A 53 16.148 -2.987 5.016 1.00 0.00 H new ATOM 788 N LYS A 54 12.082 1.374 4.429 1.00 0.00 N ATOM 789 CA LYS A 54 11.792 2.769 4.738 1.00 0.00 C ATOM 790 C LYS A 54 10.316 2.956 5.076 1.00 0.00 C ATOM 791 O LYS A 54 9.459 2.938 4.192 1.00 0.00 O ATOM 792 CB LYS A 54 12.173 3.665 3.557 1.00 0.00 C ATOM 793 CG LYS A 54 11.793 5.122 3.752 1.00 0.00 C ATOM 794 CD LYS A 54 12.437 6.011 2.700 1.00 0.00 C ATOM 795 CE LYS A 54 11.699 5.928 1.373 1.00 0.00 C ATOM 796 NZ LYS A 54 11.889 7.158 0.555 1.00 0.00 N ATOM 0 H LYS A 54 11.284 0.846 4.075 1.00 0.00 H new ATOM 0 HA LYS A 54 12.385 3.053 5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.248 3.598 3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.689 3.289 2.656 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.709 5.226 3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.101 5.450 4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.444 7.043 3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.476 5.715 2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.053 5.062 0.814 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.636 5.775 1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.370 7.062 -0.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.528 7.982 1.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.901 7.290 0.357 1.00 0.00 H new ATOM 810 N VAL A 55 10.026 3.137 6.360 1.00 0.00 N ATOM 811 CA VAL A 55 8.654 3.330 6.814 1.00 0.00 C ATOM 812 C VAL A 55 8.300 4.811 6.880 1.00 0.00 C ATOM 813 O VAL A 55 9.079 5.625 7.374 1.00 0.00 O ATOM 814 CB VAL A 55 8.427 2.697 8.200 1.00 0.00 C ATOM 815 CG1 VAL A 55 9.577 3.034 9.136 1.00 0.00 C ATOM 816 CG2 VAL A 55 7.100 3.157 8.784 1.00 0.00 C ATOM 0 H VAL A 55 10.723 3.154 7.105 1.00 0.00 H new ATOM 0 HA VAL A 55 8.008 2.837 6.087 1.00 0.00 H new ATOM 0 HB VAL A 55 8.391 1.614 8.084 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.399 2.578 10.110 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.509 2.650 8.721 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.649 4.116 9.249 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.956 2.700 9.763 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.104 4.242 8.887 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.288 2.859 8.121 1.00 0.00 H new ATOM 826 N GLY A 56 7.117 5.155 6.378 1.00 0.00 N ATOM 827 CA GLY A 56 6.680 6.538 6.390 1.00 0.00 C ATOM 828 C GLY A 56 5.174 6.670 6.499 1.00 0.00 C ATOM 829 O GLY A 56 4.569 6.197 7.462 1.00 0.00 O ATOM 0 H GLY A 56 6.454 4.500 5.963 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.148 7.056 7.227 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.020 7.031 5.479 1.00 0.00 H new ATOM 833 N THR A 57 4.565 7.315 5.509 1.00 0.00 N ATOM 834 CA THR A 57 3.120 7.510 5.499 1.00 0.00 C ATOM 835 C THR A 57 2.565 7.434 4.081 1.00 0.00 C ATOM 836 O THR A 57 3.249 7.777 3.116 1.00 0.00 O ATOM 837 CB THR A 57 2.732 8.866 6.117 1.00 0.00 C ATOM 838 OG1 THR A 57 3.505 9.915 5.523 1.00 0.00 O ATOM 839 CG2 THR A 57 2.952 8.857 7.622 1.00 0.00 C ATOM 0 H THR A 57 5.050 7.711 4.704 1.00 0.00 H new ATOM 0 HA THR A 57 2.689 6.709 6.099 1.00 0.00 H new ATOM 0 HB THR A 57 1.674 9.040 5.921 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.251 10.774 5.920 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.671 9.825 8.037 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.340 8.077 8.075 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.003 8.662 7.835 1.00 0.00 H new ATOM 847 N PHE A 58 1.321 6.982 3.961 1.00 0.00 N ATOM 848 CA PHE A 58 0.674 6.861 2.660 1.00 0.00 C ATOM 849 C PHE A 58 -0.825 6.627 2.817 1.00 0.00 C ATOM 850 O PHE A 58 -1.280 6.100 3.833 1.00 0.00 O ATOM 851 CB PHE A 58 1.299 5.715 1.861 1.00 0.00 C ATOM 852 CG PHE A 58 0.883 4.353 2.340 1.00 0.00 C ATOM 853 CD1 PHE A 58 1.366 3.848 3.536 1.00 0.00 C ATOM 854 CD2 PHE A 58 0.009 3.579 1.594 1.00 0.00 C ATOM 855 CE1 PHE A 58 0.985 2.596 3.981 1.00 0.00 C ATOM 856 CE2 PHE A 58 -0.376 2.326 2.034 1.00 0.00 C ATOM 857 CZ PHE A 58 0.113 1.834 3.228 1.00 0.00 C ATOM 0 H PHE A 58 0.741 6.694 4.749 1.00 0.00 H new ATOM 0 HA PHE A 58 0.823 7.796 2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.024 5.822 0.812 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.385 5.795 1.916 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.049 4.440 4.128 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.376 3.958 0.659 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.368 2.214 4.916 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.059 1.732 1.444 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.186 0.855 3.573 1.00 0.00 H new ATOM 867 N LYS A 59 -1.589 7.025 1.806 1.00 0.00 N ATOM 868 CA LYS A 59 -3.038 6.859 1.829 1.00 0.00 C ATOM 869 C LYS A 59 -3.428 5.429 1.469 1.00 0.00 C ATOM 870 O LYS A 59 -2.602 4.651 0.993 1.00 0.00 O ATOM 871 CB LYS A 59 -3.700 7.840 0.858 1.00 0.00 C ATOM 872 CG LYS A 59 -3.751 9.267 1.375 1.00 0.00 C ATOM 873 CD LYS A 59 -3.944 10.263 0.245 1.00 0.00 C ATOM 874 CE LYS A 59 -2.612 10.732 -0.320 1.00 0.00 C ATOM 875 NZ LYS A 59 -2.761 11.960 -1.149 1.00 0.00 N ATOM 0 H LYS A 59 -1.229 7.465 0.959 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.386 7.068 2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.158 7.824 -0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.715 7.502 0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.566 9.366 2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.828 9.495 1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.535 9.805 -0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.509 11.122 0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.920 10.929 0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.174 9.937 -0.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.831 12.247 -1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.402 11.766 -1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.155 12.726 -0.567 1.00 0.00 H new ATOM 889 N PHE A 60 -4.692 5.090 1.699 1.00 0.00 N ATOM 890 CA PHE A 60 -5.192 3.754 1.399 1.00 0.00 C ATOM 891 C PHE A 60 -5.899 3.729 0.047 1.00 0.00 C ATOM 892 O PHE A 60 -5.847 2.732 -0.675 1.00 0.00 O ATOM 893 CB PHE A 60 -6.150 3.286 2.496 1.00 0.00 C ATOM 894 CG PHE A 60 -6.977 4.394 3.083 1.00 0.00 C ATOM 895 CD1 PHE A 60 -8.152 4.798 2.470 1.00 0.00 C ATOM 896 CD2 PHE A 60 -6.579 5.032 4.247 1.00 0.00 C ATOM 897 CE1 PHE A 60 -8.916 5.817 3.007 1.00 0.00 C ATOM 898 CE2 PHE A 60 -7.339 6.051 4.789 1.00 0.00 C ATOM 899 CZ PHE A 60 -8.508 6.445 4.168 1.00 0.00 C ATOM 0 H PHE A 60 -5.389 5.722 2.092 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.340 3.076 1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.815 2.525 2.087 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.575 2.812 3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.475 4.311 1.562 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -5.665 4.730 4.736 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -9.830 6.122 2.520 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -7.019 6.539 5.698 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.102 7.243 4.589 1.00 0.00 H new ATOM 909 N ILE A 61 -6.560 4.832 -0.289 1.00 0.00 N ATOM 910 CA ILE A 61 -7.277 4.937 -1.554 1.00 0.00 C ATOM 911 C ILE A 61 -6.352 4.660 -2.735 1.00 0.00 C ATOM 912 O ILE A 61 -6.798 4.228 -3.797 1.00 0.00 O ATOM 913 CB ILE A 61 -7.910 6.330 -1.728 1.00 0.00 C ATOM 914 CG1 ILE A 61 -6.840 7.418 -1.617 1.00 0.00 C ATOM 915 CG2 ILE A 61 -9.004 6.547 -0.693 1.00 0.00 C ATOM 916 CD1 ILE A 61 -7.348 8.801 -1.960 1.00 0.00 C ATOM 0 H ILE A 61 -6.614 5.665 0.297 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.068 4.188 -1.532 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.358 6.388 -2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.445 7.426 -0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.011 7.170 -2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.442 7.536 -0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.777 5.788 -0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.578 6.473 0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.537 9.522 -1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.716 8.809 -2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.158 9.070 -1.282 1.00 0.00 H new ATOM 928 N TYR A 62 -5.062 4.911 -2.540 1.00 0.00 N ATOM 929 CA TYR A 62 -4.074 4.690 -3.589 1.00 0.00 C ATOM 930 C TYR A 62 -3.681 3.218 -3.665 1.00 0.00 C ATOM 931 O TYR A 62 -3.170 2.751 -4.683 1.00 0.00 O ATOM 932 CB TYR A 62 -2.833 5.548 -3.338 1.00 0.00 C ATOM 933 CG TYR A 62 -2.962 6.964 -3.852 1.00 0.00 C ATOM 934 CD1 TYR A 62 -3.628 7.934 -3.113 1.00 0.00 C ATOM 935 CD2 TYR A 62 -2.419 7.332 -5.077 1.00 0.00 C ATOM 936 CE1 TYR A 62 -3.749 9.229 -3.579 1.00 0.00 C ATOM 937 CE2 TYR A 62 -2.534 8.625 -5.550 1.00 0.00 C ATOM 938 CZ TYR A 62 -3.200 9.570 -4.797 1.00 0.00 C ATOM 939 OH TYR A 62 -3.318 10.858 -5.266 1.00 0.00 O ATOM 0 H TYR A 62 -4.676 5.267 -1.666 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.521 4.978 -4.541 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.631 5.576 -2.267 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.973 5.075 -3.812 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -4.058 7.671 -2.158 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.898 6.595 -5.670 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.271 9.970 -2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.105 8.895 -6.504 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.875 10.931 -6.137 1.00 0.00 H new ATOM 949 N VAL A 63 -3.923 2.490 -2.579 1.00 0.00 N ATOM 950 CA VAL A 63 -3.597 1.070 -2.522 1.00 0.00 C ATOM 951 C VAL A 63 -4.849 0.227 -2.309 1.00 0.00 C ATOM 952 O VAL A 63 -5.947 0.759 -2.141 1.00 0.00 O ATOM 953 CB VAL A 63 -2.592 0.770 -1.394 1.00 0.00 C ATOM 954 CG1 VAL A 63 -1.345 1.629 -1.548 1.00 0.00 C ATOM 955 CG2 VAL A 63 -3.236 0.990 -0.034 1.00 0.00 C ATOM 0 H VAL A 63 -4.344 2.861 -1.727 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.146 0.810 -3.480 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.295 -0.276 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.646 1.404 -0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.873 1.417 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.621 2.683 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.511 0.773 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.563 2.026 0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.096 0.328 0.073 1.00 0.00 H new ATOM 965 N ASP A 64 -4.677 -1.090 -2.316 1.00 0.00 N ATOM 966 CA ASP A 64 -5.793 -2.008 -2.122 1.00 0.00 C ATOM 967 C ASP A 64 -5.373 -3.201 -1.268 1.00 0.00 C ATOM 968 O ASP A 64 -4.492 -3.971 -1.650 1.00 0.00 O ATOM 969 CB ASP A 64 -6.323 -2.493 -3.472 1.00 0.00 C ATOM 970 CG ASP A 64 -7.413 -1.594 -4.023 1.00 0.00 C ATOM 971 OD1 ASP A 64 -7.447 -0.404 -3.645 1.00 0.00 O ATOM 972 OD2 ASP A 64 -8.232 -2.080 -4.831 1.00 0.00 O ATOM 0 H ASP A 64 -3.775 -1.546 -2.454 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.586 -1.472 -1.601 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.501 -2.541 -4.186 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.711 -3.506 -3.364 1.00 0.00 H new ATOM 977 N VAL A 65 -6.010 -3.347 -0.110 1.00 0.00 N ATOM 978 CA VAL A 65 -5.703 -4.445 0.798 1.00 0.00 C ATOM 979 C VAL A 65 -5.853 -5.793 0.100 1.00 0.00 C ATOM 980 O VAL A 65 -6.821 -6.025 -0.624 1.00 0.00 O ATOM 981 CB VAL A 65 -6.613 -4.418 2.040 1.00 0.00 C ATOM 982 CG1 VAL A 65 -6.375 -5.647 2.904 1.00 0.00 C ATOM 983 CG2 VAL A 65 -6.387 -3.143 2.838 1.00 0.00 C ATOM 0 H VAL A 65 -6.742 -2.718 0.221 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.668 -4.315 1.113 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.651 -4.433 1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.027 -5.610 3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.592 -6.545 2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.335 -5.667 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.038 -3.141 3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.347 -3.095 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.614 -2.278 2.214 1.00 0.00 H new ATOM 993 N LEU A 66 -4.889 -6.679 0.324 1.00 0.00 N ATOM 994 CA LEU A 66 -4.913 -8.006 -0.282 1.00 0.00 C ATOM 995 C LEU A 66 -5.238 -9.074 0.758 1.00 0.00 C ATOM 996 O LEU A 66 -4.498 -9.259 1.724 1.00 0.00 O ATOM 997 CB LEU A 66 -3.567 -8.312 -0.941 1.00 0.00 C ATOM 998 CG LEU A 66 -3.062 -7.278 -1.947 1.00 0.00 C ATOM 999 CD1 LEU A 66 -1.546 -7.333 -2.055 1.00 0.00 C ATOM 1000 CD2 LEU A 66 -3.703 -7.502 -3.309 1.00 0.00 C ATOM 0 H LEU A 66 -4.081 -6.503 0.921 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.694 -8.017 -1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.818 -8.422 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.643 -9.275 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.345 -6.287 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.205 -6.590 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.104 -7.123 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.241 -8.326 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.332 -6.757 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.451 -8.499 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.786 -7.411 -3.221 1.00 0.00 H new ATOM 1012 N SER A 67 -6.349 -9.775 0.551 1.00 0.00 N ATOM 1013 CA SER A 67 -6.772 -10.824 1.472 1.00 0.00 C ATOM 1014 C SER A 67 -6.063 -12.138 1.161 1.00 0.00 C ATOM 1015 O SER A 67 -5.454 -12.750 2.038 1.00 0.00 O ATOM 1016 CB SER A 67 -8.288 -11.018 1.394 1.00 0.00 C ATOM 1017 OG SER A 67 -8.703 -11.260 0.060 1.00 0.00 O ATOM 0 H SER A 67 -6.971 -9.636 -0.245 1.00 0.00 H new ATOM 0 HA SER A 67 -6.503 -10.517 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.584 -11.854 2.028 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.792 -10.132 1.780 1.00 0.00 H new ATOM 0 HG SER A 67 -9.675 -11.382 0.037 1.00 0.00 H new ATOM 1023 N SER A 68 -6.147 -12.566 -0.095 1.00 0.00 N ATOM 1024 CA SER A 68 -5.517 -13.810 -0.522 1.00 0.00 C ATOM 1025 C SER A 68 -4.056 -13.577 -0.899 1.00 0.00 C ATOM 1026 O SER A 68 -3.636 -12.445 -1.129 1.00 0.00 O ATOM 1027 CB SER A 68 -6.273 -14.407 -1.710 1.00 0.00 C ATOM 1028 OG SER A 68 -7.640 -14.609 -1.396 1.00 0.00 O ATOM 0 H SER A 68 -6.645 -12.070 -0.834 1.00 0.00 H new ATOM 0 HA SER A 68 -5.552 -14.512 0.311 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.189 -13.742 -2.570 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.818 -15.356 -1.995 1.00 0.00 H new ATOM 0 HG SER A 68 -8.101 -14.990 -2.172 1.00 0.00 H new ATOM 1034 N GLY A 69 -3.288 -14.661 -0.959 1.00 0.00 N ATOM 1035 CA GLY A 69 -1.883 -14.555 -1.307 1.00 0.00 C ATOM 1036 C GLY A 69 -1.230 -15.909 -1.501 1.00 0.00 C ATOM 1037 O GLY A 69 -1.284 -16.778 -0.631 1.00 0.00 O ATOM 0 H GLY A 69 -3.613 -15.610 -0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.782 -13.972 -2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.358 -14.011 -0.522 1.00 0.00 H new ATOM 1041 N PRO A 70 -0.598 -16.104 -2.668 1.00 0.00 N ATOM 1042 CA PRO A 70 0.079 -17.361 -3.001 1.00 0.00 C ATOM 1043 C PRO A 70 1.339 -17.579 -2.169 1.00 0.00 C ATOM 1044 O PRO A 70 1.717 -16.729 -1.363 1.00 0.00 O ATOM 1045 CB PRO A 70 0.438 -17.190 -4.479 1.00 0.00 C ATOM 1046 CG PRO A 70 0.523 -15.716 -4.680 1.00 0.00 C ATOM 1047 CD PRO A 70 -0.494 -15.112 -3.751 1.00 0.00 C ATOM 0 HA PRO A 70 -0.549 -18.228 -2.798 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.384 -17.677 -4.716 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.320 -17.635 -5.124 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.524 -15.349 -4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.312 -15.451 -5.716 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.170 -14.141 -3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.452 -14.958 -4.249 1.00 0.00 H new ATOM 1055 N SER A 71 1.985 -18.724 -2.371 1.00 0.00 N ATOM 1056 CA SER A 71 3.200 -19.055 -1.636 1.00 0.00 C ATOM 1057 C SER A 71 4.242 -19.676 -2.562 1.00 0.00 C ATOM 1058 O SER A 71 3.901 -20.335 -3.545 1.00 0.00 O ATOM 1059 CB SER A 71 2.883 -20.016 -0.489 1.00 0.00 C ATOM 1060 OG SER A 71 3.859 -19.929 0.534 1.00 0.00 O ATOM 0 H SER A 71 1.687 -19.437 -3.037 1.00 0.00 H new ATOM 0 HA SER A 71 3.608 -18.132 -1.224 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.900 -19.785 -0.078 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.839 -21.037 -0.868 1.00 0.00 H new ATOM 0 HG SER A 71 3.632 -20.552 1.256 1.00 0.00 H new ATOM 1066 N SER A 72 5.513 -19.461 -2.241 1.00 0.00 N ATOM 1067 CA SER A 72 6.606 -19.996 -3.045 1.00 0.00 C ATOM 1068 C SER A 72 7.240 -21.205 -2.364 1.00 0.00 C ATOM 1069 O SER A 72 7.610 -21.149 -1.192 1.00 0.00 O ATOM 1070 CB SER A 72 7.665 -18.918 -3.285 1.00 0.00 C ATOM 1071 OG SER A 72 8.534 -19.285 -4.343 1.00 0.00 O ATOM 0 H SER A 72 5.812 -18.920 -1.430 1.00 0.00 H new ATOM 0 HA SER A 72 6.197 -20.314 -4.004 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.178 -17.972 -3.521 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.242 -18.761 -2.374 1.00 0.00 H new ATOM 0 HG SER A 72 9.201 -18.580 -4.478 1.00 0.00 H new ATOM 1077 N GLY A 73 7.361 -22.300 -3.109 1.00 0.00 N ATOM 1078 CA GLY A 73 7.950 -23.508 -2.562 1.00 0.00 C ATOM 1079 C GLY A 73 9.415 -23.653 -2.922 1.00 0.00 C ATOM 1080 O GLY A 73 10.257 -22.894 -2.443 1.00 0.00 O ATOM 0 H GLY A 73 7.062 -22.372 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.845 -23.501 -1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.401 -24.375 -2.930 1.00 0.00 H new TER 1084 GLY A 73