USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 501 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 93 TYR OH : rot -167:sc= 1.87 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 166:sc= 0.748 (180deg=-0.0828) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 86:sc= 1.17 USER MOD Single : A 58 SER OG : rot 83:sc= 0.197 USER MOD Single : A 63 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.615 X(o=-0.61,f=-0.22) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.3) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.314 K(o=-0.31,f=-4.1!) USER MOD Single : A 85 ASN : amide:sc= -0.165 X(o=-0.16,f=-0.44) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 0.359 K(o=0.36,f=-2.1!) USER MOD Single : A 94 TYR OH : rot -170:sc= 0.668 USER MOD Single : A 96 HIS : no HD1:sc= -0.359 X(o=-0.36,f=-0.015) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -127:sc= 0.754 (180deg=0.000704) USER MOD Single : A 105 LYS NZ :NH3+ 175:sc= 2.27 (180deg=2.24) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 47 -1.362 15.413 -6.004 1.00 0.00 N ATOM 2 CA GLY A 47 -1.227 14.282 -5.076 1.00 0.00 C ATOM 3 C GLY A 47 -0.640 13.074 -5.781 1.00 0.00 C ATOM 4 O GLY A 47 -0.918 12.866 -6.960 1.00 0.00 O ATOM 0 HA2 GLY A 47 -0.589 14.566 -4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.202 14.028 -4.661 1.00 0.00 H new ATOM 8 N GLU A 48 0.178 12.277 -5.086 1.00 0.00 N ATOM 9 CA GLU A 48 0.810 11.084 -5.655 1.00 0.00 C ATOM 10 C GLU A 48 0.910 9.986 -4.621 1.00 0.00 C ATOM 11 O GLU A 48 0.304 8.939 -4.805 1.00 0.00 O ATOM 12 CB GLU A 48 2.175 11.436 -6.248 1.00 0.00 C ATOM 13 CG GLU A 48 3.109 10.248 -6.518 1.00 0.00 C ATOM 14 CD GLU A 48 4.250 10.624 -7.469 1.00 0.00 C ATOM 15 OE1 GLU A 48 4.964 11.616 -7.194 1.00 0.00 O ATOM 16 OE2 GLU A 48 4.433 9.934 -8.501 1.00 0.00 O ATOM 0 H GLU A 48 0.421 12.443 -4.109 1.00 0.00 H new ATOM 0 HA GLU A 48 0.186 10.708 -6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.017 11.971 -7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.679 12.124 -5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.524 9.891 -5.576 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.536 9.425 -6.946 1.00 0.00 H new ATOM 23 N VAL A 49 1.592 10.247 -3.506 1.00 0.00 N ATOM 24 CA VAL A 49 1.761 9.267 -2.442 1.00 0.00 C ATOM 25 C VAL A 49 0.420 8.628 -2.054 1.00 0.00 C ATOM 26 O VAL A 49 0.341 7.414 -1.925 1.00 0.00 O ATOM 27 CB VAL A 49 2.549 9.884 -1.279 1.00 0.00 C ATOM 28 CG1 VAL A 49 1.897 11.147 -0.710 1.00 0.00 C ATOM 29 CG2 VAL A 49 2.840 8.840 -0.201 1.00 0.00 C ATOM 0 H VAL A 49 2.041 11.143 -3.318 1.00 0.00 H new ATOM 0 HA VAL A 49 2.364 8.432 -2.797 1.00 0.00 H new ATOM 0 HB VAL A 49 3.504 10.216 -1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.504 11.533 0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.822 11.902 -1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.900 10.907 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.399 9.303 0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.901 8.443 0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.428 8.028 -0.630 1.00 0.00 H new ATOM 39 N ARG A 50 -0.659 9.401 -1.901 1.00 0.00 N ATOM 40 CA ARG A 50 -1.960 8.817 -1.553 1.00 0.00 C ATOM 41 C ARG A 50 -2.482 7.899 -2.657 1.00 0.00 C ATOM 42 O ARG A 50 -3.101 6.891 -2.337 1.00 0.00 O ATOM 43 CB ARG A 50 -2.993 9.896 -1.190 1.00 0.00 C ATOM 44 CG ARG A 50 -3.304 9.985 0.318 1.00 0.00 C ATOM 45 CD ARG A 50 -3.198 11.380 0.929 1.00 0.00 C ATOM 46 NE ARG A 50 -4.221 12.305 0.420 1.00 0.00 N ATOM 47 CZ ARG A 50 -4.378 13.566 0.837 1.00 0.00 C ATOM 48 NH1 ARG A 50 -3.643 14.043 1.833 1.00 0.00 N ATOM 49 NH2 ARG A 50 -5.257 14.355 0.240 1.00 0.00 N ATOM 0 H ARG A 50 -0.661 10.415 -2.010 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.804 8.205 -0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.628 10.864 -1.533 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.918 9.695 -1.730 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.313 9.609 0.486 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.624 9.321 0.851 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.290 11.305 2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.209 11.789 0.720 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.855 11.961 -0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.951 13.447 2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.770 15.006 2.144 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.814 14.001 -0.538 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.377 15.317 0.558 1.00 0.00 H new ATOM 63 N ASN A 51 -2.239 8.224 -3.929 1.00 0.00 N ATOM 64 CA ASN A 51 -2.710 7.406 -5.045 1.00 0.00 C ATOM 65 C ASN A 51 -2.063 6.037 -4.995 1.00 0.00 C ATOM 66 O ASN A 51 -2.751 5.016 -4.977 1.00 0.00 O ATOM 67 CB ASN A 51 -2.361 8.045 -6.399 1.00 0.00 C ATOM 68 CG ASN A 51 -3.573 8.244 -7.281 1.00 0.00 C ATOM 69 OD1 ASN A 51 -4.187 7.290 -7.748 1.00 0.00 O ATOM 70 ND2 ASN A 51 -3.932 9.479 -7.557 1.00 0.00 N ATOM 0 H ASN A 51 -1.716 9.053 -4.211 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.793 7.326 -4.952 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.879 9.008 -6.228 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.639 7.415 -6.918 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.731 9.654 -8.167 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.412 10.262 -7.161 1.00 0.00 H new ATOM 77 N ILE A 52 -0.727 6.028 -4.959 1.00 0.00 N ATOM 78 CA ILE A 52 0.021 4.790 -4.938 1.00 0.00 C ATOM 79 C ILE A 52 -0.275 3.969 -3.691 1.00 0.00 C ATOM 80 O ILE A 52 -0.324 2.745 -3.781 1.00 0.00 O ATOM 81 CB ILE A 52 1.529 5.047 -5.097 1.00 0.00 C ATOM 82 CG1 ILE A 52 2.267 3.741 -5.402 1.00 0.00 C ATOM 83 CG2 ILE A 52 2.173 5.687 -3.866 1.00 0.00 C ATOM 84 CD1 ILE A 52 3.430 3.994 -6.354 1.00 0.00 C ATOM 0 H ILE A 52 -0.151 6.870 -4.944 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.307 4.200 -5.794 1.00 0.00 H new ATOM 0 HB ILE A 52 1.619 5.750 -5.925 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.637 3.301 -4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.578 3.022 -5.844 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.237 5.839 -4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.698 6.647 -3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.043 5.031 -3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.943 3.054 -6.559 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.052 4.413 -7.287 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.128 4.696 -5.898 1.00 0.00 H new ATOM 96 N VAL A 53 -0.457 4.630 -2.544 1.00 0.00 N ATOM 97 CA VAL A 53 -0.733 3.997 -1.276 1.00 0.00 C ATOM 98 C VAL A 53 -2.047 3.249 -1.436 1.00 0.00 C ATOM 99 O VAL A 53 -2.052 2.019 -1.350 1.00 0.00 O ATOM 100 CB VAL A 53 -0.713 5.093 -0.183 1.00 0.00 C ATOM 101 CG1 VAL A 53 -1.448 4.780 1.107 1.00 0.00 C ATOM 102 CG2 VAL A 53 0.729 5.405 0.236 1.00 0.00 C ATOM 0 H VAL A 53 -0.413 5.647 -2.483 1.00 0.00 H new ATOM 0 HA VAL A 53 0.009 3.262 -0.964 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.229 5.921 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.360 5.625 1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.500 4.596 0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.012 3.894 1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.725 6.177 1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.197 4.503 0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.291 5.757 -0.629 1.00 0.00 H new ATOM 112 N ASP A 54 -3.132 3.963 -1.736 1.00 0.00 N ATOM 113 CA ASP A 54 -4.473 3.412 -1.916 1.00 0.00 C ATOM 114 C ASP A 54 -4.463 2.225 -2.889 1.00 0.00 C ATOM 115 O ASP A 54 -4.960 1.142 -2.578 1.00 0.00 O ATOM 116 CB ASP A 54 -5.427 4.505 -2.437 1.00 0.00 C ATOM 117 CG ASP A 54 -6.029 5.393 -1.344 1.00 0.00 C ATOM 118 OD1 ASP A 54 -5.338 5.773 -0.369 1.00 0.00 O ATOM 119 OD2 ASP A 54 -7.247 5.659 -1.428 1.00 0.00 O ATOM 0 H ASP A 54 -3.099 4.974 -1.864 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.822 3.055 -0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.887 5.135 -3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.238 4.030 -2.989 1.00 0.00 H new ATOM 124 N LYS A 55 -3.876 2.403 -4.078 1.00 0.00 N ATOM 125 CA LYS A 55 -3.805 1.370 -5.106 1.00 0.00 C ATOM 126 C LYS A 55 -3.016 0.171 -4.629 1.00 0.00 C ATOM 127 O LYS A 55 -3.484 -0.959 -4.801 1.00 0.00 O ATOM 128 CB LYS A 55 -3.214 1.950 -6.391 1.00 0.00 C ATOM 129 CG LYS A 55 -4.321 2.663 -7.176 1.00 0.00 C ATOM 130 CD LYS A 55 -3.793 3.322 -8.459 1.00 0.00 C ATOM 131 CE LYS A 55 -3.373 2.240 -9.467 1.00 0.00 C ATOM 132 NZ LYS A 55 -3.149 2.768 -10.828 1.00 0.00 N ATOM 0 H LYS A 55 -3.433 3.280 -4.352 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.817 1.023 -5.317 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.412 2.649 -6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.776 1.156 -6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.101 1.946 -7.433 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.781 3.422 -6.543 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.563 3.958 -8.895 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.943 3.964 -8.226 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.460 1.760 -9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.143 1.470 -9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.869 1.991 -11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.026 3.202 -11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.394 3.483 -10.803 1.00 0.00 H new ATOM 146 N THR A 56 -1.836 0.383 -4.054 1.00 0.00 N ATOM 147 CA THR A 56 -1.051 -0.731 -3.558 1.00 0.00 C ATOM 148 C THR A 56 -1.825 -1.477 -2.466 1.00 0.00 C ATOM 149 O THR A 56 -1.819 -2.708 -2.479 1.00 0.00 O ATOM 150 CB THR A 56 0.317 -0.216 -3.105 1.00 0.00 C ATOM 151 OG1 THR A 56 0.908 0.375 -4.243 1.00 0.00 O ATOM 152 CG2 THR A 56 1.227 -1.336 -2.586 1.00 0.00 C ATOM 0 H THR A 56 -1.412 1.301 -3.923 1.00 0.00 H new ATOM 0 HA THR A 56 -0.871 -1.462 -4.346 1.00 0.00 H new ATOM 0 HB THR A 56 0.189 0.485 -2.280 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.609 1.305 -4.322 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.184 -0.914 -2.278 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.754 -1.823 -1.733 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.391 -2.068 -3.377 1.00 0.00 H new ATOM 160 N ALA A 57 -2.527 -0.771 -1.567 1.00 0.00 N ATOM 161 CA ALA A 57 -3.272 -1.438 -0.501 1.00 0.00 C ATOM 162 C ALA A 57 -4.330 -2.351 -1.096 1.00 0.00 C ATOM 163 O ALA A 57 -4.447 -3.473 -0.618 1.00 0.00 O ATOM 164 CB ALA A 57 -3.931 -0.464 0.471 1.00 0.00 C ATOM 0 H ALA A 57 -2.591 0.247 -1.560 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.545 -2.018 0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.468 -1.023 1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.166 0.154 0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.630 0.173 -0.070 1.00 0.00 H new ATOM 170 N SER A 58 -5.043 -1.892 -2.128 1.00 0.00 N ATOM 171 CA SER A 58 -6.084 -2.633 -2.825 1.00 0.00 C ATOM 172 C SER A 58 -5.549 -3.990 -3.297 1.00 0.00 C ATOM 173 O SER A 58 -6.082 -5.036 -2.938 1.00 0.00 O ATOM 174 CB SER A 58 -6.572 -1.779 -4.007 1.00 0.00 C ATOM 175 OG SER A 58 -7.637 -2.380 -4.709 1.00 0.00 O ATOM 0 H SER A 58 -4.901 -0.958 -2.511 1.00 0.00 H new ATOM 0 HA SER A 58 -6.920 -2.834 -2.156 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.890 -0.804 -3.639 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.742 -1.606 -4.692 1.00 0.00 H new ATOM 0 HG SER A 58 -8.481 -2.190 -4.249 1.00 0.00 H new ATOM 181 N PHE A 59 -4.454 -4.007 -4.064 1.00 0.00 N ATOM 182 CA PHE A 59 -3.907 -5.264 -4.566 1.00 0.00 C ATOM 183 C PHE A 59 -3.435 -6.174 -3.438 1.00 0.00 C ATOM 184 O PHE A 59 -3.645 -7.385 -3.506 1.00 0.00 O ATOM 185 CB PHE A 59 -2.765 -4.988 -5.541 1.00 0.00 C ATOM 186 CG PHE A 59 -2.481 -6.123 -6.506 1.00 0.00 C ATOM 187 CD1 PHE A 59 -3.393 -6.403 -7.543 1.00 0.00 C ATOM 188 CD2 PHE A 59 -1.321 -6.910 -6.367 1.00 0.00 C ATOM 189 CE1 PHE A 59 -3.144 -7.459 -8.437 1.00 0.00 C ATOM 190 CE2 PHE A 59 -1.065 -7.953 -7.277 1.00 0.00 C ATOM 191 CZ PHE A 59 -1.975 -8.227 -8.312 1.00 0.00 C ATOM 0 H PHE A 59 -3.937 -3.174 -4.346 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.709 -5.786 -5.089 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.000 -4.090 -6.113 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.860 -4.775 -4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.286 -5.805 -7.651 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.628 -6.713 -5.562 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.853 -7.680 -9.221 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.167 -8.544 -7.179 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.776 -9.027 -9.010 1.00 0.00 H new ATOM 201 N VAL A 60 -2.782 -5.608 -2.423 1.00 0.00 N ATOM 202 CA VAL A 60 -2.303 -6.373 -1.281 1.00 0.00 C ATOM 203 C VAL A 60 -3.509 -6.933 -0.507 1.00 0.00 C ATOM 204 O VAL A 60 -3.449 -8.043 0.016 1.00 0.00 O ATOM 205 CB VAL A 60 -1.332 -5.510 -0.462 1.00 0.00 C ATOM 206 CG1 VAL A 60 -0.836 -6.259 0.773 1.00 0.00 C ATOM 207 CG2 VAL A 60 -0.076 -5.114 -1.258 1.00 0.00 C ATOM 0 H VAL A 60 -2.573 -4.611 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.724 -7.245 -1.585 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.901 -4.621 -0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.150 -5.623 1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.685 -6.522 1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.318 -7.167 0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.575 -4.505 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.456 -6.013 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.369 -4.543 -2.139 1.00 0.00 H new ATOM 217 N ALA A 61 -4.633 -6.217 -0.471 1.00 0.00 N ATOM 218 CA ALA A 61 -5.842 -6.612 0.207 1.00 0.00 C ATOM 219 C ALA A 61 -6.449 -7.774 -0.560 1.00 0.00 C ATOM 220 O ALA A 61 -6.874 -8.735 0.069 1.00 0.00 O ATOM 221 CB ALA A 61 -6.787 -5.398 0.300 1.00 0.00 C ATOM 0 H ALA A 61 -4.717 -5.313 -0.935 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.648 -6.943 1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.704 -5.689 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.299 -4.599 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.027 -5.046 -0.703 1.00 0.00 H new ATOM 227 N ARG A 62 -6.432 -7.724 -1.894 1.00 0.00 N ATOM 228 CA ARG A 62 -6.996 -8.787 -2.704 1.00 0.00 C ATOM 229 C ARG A 62 -6.183 -10.071 -2.676 1.00 0.00 C ATOM 230 O ARG A 62 -6.713 -11.155 -2.439 1.00 0.00 O ATOM 231 CB ARG A 62 -7.133 -8.313 -4.156 1.00 0.00 C ATOM 232 CG ARG A 62 -8.276 -7.312 -4.285 1.00 0.00 C ATOM 233 CD ARG A 62 -8.681 -7.130 -5.745 1.00 0.00 C ATOM 234 NE ARG A 62 -10.041 -6.593 -5.832 1.00 0.00 N ATOM 235 CZ ARG A 62 -10.709 -6.360 -6.959 1.00 0.00 C ATOM 236 NH1 ARG A 62 -10.101 -6.429 -8.138 1.00 0.00 N ATOM 237 NH2 ARG A 62 -11.992 -6.052 -6.869 1.00 0.00 N ATOM 0 H ARG A 62 -6.031 -6.954 -2.430 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.970 -9.017 -2.272 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.201 -7.854 -4.484 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.314 -9.167 -4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.133 -7.657 -3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.973 -6.353 -3.866 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.984 -6.455 -6.241 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.626 -8.085 -6.267 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.516 -6.380 -4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.109 -6.663 -8.188 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.626 -6.248 -8.994 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.441 -5.999 -5.955 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.533 -5.868 -7.714 1.00 0.00 H new ATOM 251 N ASN A 63 -4.897 -9.957 -2.983 1.00 0.00 N ATOM 252 CA ASN A 63 -4.000 -11.103 -3.043 1.00 0.00 C ATOM 253 C ASN A 63 -3.622 -11.628 -1.665 1.00 0.00 C ATOM 254 O ASN A 63 -3.631 -12.839 -1.452 1.00 0.00 O ATOM 255 CB ASN A 63 -2.718 -10.755 -3.808 1.00 0.00 C ATOM 256 CG ASN A 63 -2.938 -10.470 -5.287 1.00 0.00 C ATOM 257 OD1 ASN A 63 -2.641 -11.285 -6.151 1.00 0.00 O ATOM 258 ND2 ASN A 63 -3.444 -9.297 -5.623 1.00 0.00 N ATOM 0 H ASN A 63 -4.447 -9.067 -3.197 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.549 -11.886 -3.567 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.256 -9.883 -3.345 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.012 -11.580 -3.708 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.589 -9.067 -6.606 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.690 -8.621 -4.899 1.00 0.00 H new ATOM 265 N GLY A 64 -3.294 -10.738 -0.733 1.00 0.00 N ATOM 266 CA GLY A 64 -2.889 -11.086 0.613 1.00 0.00 C ATOM 267 C GLY A 64 -1.638 -10.304 1.020 1.00 0.00 C ATOM 268 O GLY A 64 -0.971 -9.696 0.173 1.00 0.00 O ATOM 0 H GLY A 64 -3.305 -9.732 -0.903 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.700 -10.872 1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.691 -12.156 0.673 1.00 0.00 H new ATOM 272 N PRO A 65 -1.287 -10.323 2.317 1.00 0.00 N ATOM 273 CA PRO A 65 -0.133 -9.613 2.863 1.00 0.00 C ATOM 274 C PRO A 65 1.212 -10.087 2.316 1.00 0.00 C ATOM 275 O PRO A 65 2.214 -9.408 2.533 1.00 0.00 O ATOM 276 CB PRO A 65 -0.215 -9.777 4.379 1.00 0.00 C ATOM 277 CG PRO A 65 -1.025 -11.056 4.546 1.00 0.00 C ATOM 278 CD PRO A 65 -2.000 -11.015 3.377 1.00 0.00 C ATOM 0 HA PRO A 65 -0.176 -8.567 2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.774 -9.865 4.829 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.705 -8.925 4.850 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.390 -11.941 4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.546 -11.079 5.503 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.288 -12.020 3.068 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.916 -10.489 3.645 1.00 0.00 H new ATOM 286 N GLU A 66 1.265 -11.204 1.588 1.00 0.00 N ATOM 287 CA GLU A 66 2.516 -11.687 1.013 1.00 0.00 C ATOM 288 C GLU A 66 3.109 -10.627 0.091 1.00 0.00 C ATOM 289 O GLU A 66 4.319 -10.404 0.065 1.00 0.00 O ATOM 290 CB GLU A 66 2.305 -13.010 0.268 1.00 0.00 C ATOM 291 CG GLU A 66 1.268 -13.005 -0.877 1.00 0.00 C ATOM 292 CD GLU A 66 1.239 -14.323 -1.662 1.00 0.00 C ATOM 293 OE1 GLU A 66 1.557 -15.392 -1.094 1.00 0.00 O ATOM 294 OE2 GLU A 66 0.955 -14.294 -2.886 1.00 0.00 O ATOM 0 H GLU A 66 0.455 -11.789 1.384 1.00 0.00 H new ATOM 0 HA GLU A 66 3.221 -11.877 1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.264 -13.325 -0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.006 -13.765 0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.278 -12.813 -0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.493 -12.186 -1.560 1.00 0.00 H new ATOM 301 N PHE A 67 2.237 -9.943 -0.650 1.00 0.00 N ATOM 302 CA PHE A 67 2.649 -8.901 -1.565 1.00 0.00 C ATOM 303 C PHE A 67 3.187 -7.718 -0.787 1.00 0.00 C ATOM 304 O PHE A 67 4.055 -7.012 -1.282 1.00 0.00 O ATOM 305 CB PHE A 67 1.476 -8.471 -2.439 1.00 0.00 C ATOM 306 CG PHE A 67 1.405 -9.250 -3.723 1.00 0.00 C ATOM 307 CD1 PHE A 67 2.235 -8.876 -4.793 1.00 0.00 C ATOM 308 CD2 PHE A 67 0.551 -10.356 -3.837 1.00 0.00 C ATOM 309 CE1 PHE A 67 2.163 -9.567 -6.015 1.00 0.00 C ATOM 310 CE2 PHE A 67 0.472 -11.039 -5.063 1.00 0.00 C ATOM 311 CZ PHE A 67 1.263 -10.639 -6.155 1.00 0.00 C ATOM 0 H PHE A 67 1.230 -10.102 -0.627 1.00 0.00 H new ATOM 0 HA PHE A 67 3.437 -9.288 -2.211 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.546 -8.602 -1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.565 -7.409 -2.666 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.929 -8.057 -4.677 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.039 -10.680 -2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.795 -9.277 -6.841 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.201 -11.877 -5.167 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.179 -11.155 -7.100 1.00 0.00 H new ATOM 321 N GLU A 68 2.666 -7.477 0.413 1.00 0.00 N ATOM 322 CA GLU A 68 3.107 -6.372 1.233 1.00 0.00 C ATOM 323 C GLU A 68 4.590 -6.538 1.554 1.00 0.00 C ATOM 324 O GLU A 68 5.325 -5.557 1.553 1.00 0.00 O ATOM 325 CB GLU A 68 2.258 -6.325 2.516 1.00 0.00 C ATOM 326 CG GLU A 68 2.250 -4.956 3.198 1.00 0.00 C ATOM 327 CD GLU A 68 1.006 -4.767 4.072 1.00 0.00 C ATOM 328 OE1 GLU A 68 -0.048 -4.425 3.487 1.00 0.00 O ATOM 329 OE2 GLU A 68 1.104 -4.922 5.314 1.00 0.00 O ATOM 0 H GLU A 68 1.930 -8.044 0.835 1.00 0.00 H new ATOM 0 HA GLU A 68 2.979 -5.430 0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.233 -6.606 2.273 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.635 -7.069 3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.145 -4.849 3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.286 -4.172 2.442 1.00 0.00 H new ATOM 336 N ALA A 69 5.020 -7.775 1.833 1.00 0.00 N ATOM 337 CA ALA A 69 6.408 -8.072 2.145 1.00 0.00 C ATOM 338 C ALA A 69 7.252 -8.128 0.873 1.00 0.00 C ATOM 339 O ALA A 69 8.336 -7.549 0.840 1.00 0.00 O ATOM 340 CB ALA A 69 6.500 -9.406 2.898 1.00 0.00 C ATOM 0 H ALA A 69 4.409 -8.592 1.847 1.00 0.00 H new ATOM 0 HA ALA A 69 6.797 -7.275 2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.543 -9.622 3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.929 -9.341 3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.093 -10.203 2.276 1.00 0.00 H new ATOM 346 N ARG A 70 6.764 -8.807 -0.173 1.00 0.00 N ATOM 347 CA ARG A 70 7.479 -8.954 -1.436 1.00 0.00 C ATOM 348 C ARG A 70 7.766 -7.609 -2.057 1.00 0.00 C ATOM 349 O ARG A 70 8.928 -7.299 -2.292 1.00 0.00 O ATOM 350 CB ARG A 70 6.686 -9.848 -2.394 1.00 0.00 C ATOM 351 CG ARG A 70 6.845 -11.310 -1.977 1.00 0.00 C ATOM 352 CD ARG A 70 5.672 -12.153 -2.450 1.00 0.00 C ATOM 353 NE ARG A 70 5.797 -13.561 -2.038 1.00 0.00 N ATOM 354 CZ ARG A 70 4.885 -14.502 -2.307 1.00 0.00 C ATOM 355 NH1 ARG A 70 3.884 -14.236 -3.135 1.00 0.00 N ATOM 356 NH2 ARG A 70 4.940 -15.702 -1.745 1.00 0.00 N ATOM 0 H ARG A 70 5.856 -9.271 -0.161 1.00 0.00 H new ATOM 0 HA ARG A 70 8.437 -9.433 -1.235 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.633 -9.568 -2.382 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.041 -9.709 -3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.771 -11.709 -2.390 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.926 -11.374 -0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.746 -11.740 -2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.603 -12.099 -3.536 1.00 0.00 H new ATOM 0 HE ARG A 70 6.629 -13.835 -1.516 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.810 -13.315 -3.566 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.188 -14.953 -3.341 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.690 -15.925 -1.091 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.232 -16.402 -1.967 1.00 0.00 H new ATOM 370 N ILE A 71 6.734 -6.811 -2.315 1.00 0.00 N ATOM 371 CA ILE A 71 6.882 -5.500 -2.921 1.00 0.00 C ATOM 372 C ILE A 71 7.856 -4.664 -2.083 1.00 0.00 C ATOM 373 O ILE A 71 8.775 -4.067 -2.649 1.00 0.00 O ATOM 374 CB ILE A 71 5.499 -4.834 -3.076 1.00 0.00 C ATOM 375 CG1 ILE A 71 4.529 -5.628 -3.981 1.00 0.00 C ATOM 376 CG2 ILE A 71 5.679 -3.441 -3.672 1.00 0.00 C ATOM 377 CD1 ILE A 71 3.074 -5.189 -3.766 1.00 0.00 C ATOM 0 H ILE A 71 5.767 -7.061 -2.107 1.00 0.00 H new ATOM 0 HA ILE A 71 7.303 -5.586 -3.923 1.00 0.00 H new ATOM 0 HB ILE A 71 5.059 -4.797 -2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.803 -5.483 -5.026 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.624 -6.693 -3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.705 -2.965 -3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.303 -2.840 -3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.158 -3.522 -4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.419 -5.767 -4.418 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.793 -5.358 -2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.975 -4.129 -4.001 1.00 0.00 H new ATOM 389 N ARG A 72 7.676 -4.637 -0.754 1.00 0.00 N ATOM 390 CA ARG A 72 8.537 -3.872 0.142 1.00 0.00 C ATOM 391 C ARG A 72 9.990 -4.259 -0.062 1.00 0.00 C ATOM 392 O ARG A 72 10.834 -3.380 -0.206 1.00 0.00 O ATOM 393 CB ARG A 72 8.105 -4.072 1.604 1.00 0.00 C ATOM 394 CG ARG A 72 8.811 -3.109 2.565 1.00 0.00 C ATOM 395 CD ARG A 72 8.129 -3.079 3.934 1.00 0.00 C ATOM 396 NE ARG A 72 8.650 -4.058 4.895 1.00 0.00 N ATOM 397 CZ ARG A 72 8.368 -4.032 6.204 1.00 0.00 C ATOM 398 NH1 ARG A 72 7.485 -3.163 6.699 1.00 0.00 N ATOM 399 NH2 ARG A 72 8.978 -4.885 7.017 1.00 0.00 N ATOM 0 H ARG A 72 6.931 -5.145 -0.278 1.00 0.00 H new ATOM 0 HA ARG A 72 8.436 -2.813 -0.094 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.027 -3.932 1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.316 -5.098 1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.852 -3.410 2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.815 -2.106 2.138 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.236 -2.080 4.358 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.062 -3.255 3.798 1.00 0.00 H new ATOM 0 HE ARG A 72 9.260 -4.798 4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.013 -2.505 6.078 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.281 -3.156 7.698 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.654 -5.551 6.643 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.771 -4.874 8.016 1.00 0.00 H new ATOM 413 N GLN A 73 10.274 -5.559 -0.080 1.00 0.00 N ATOM 414 CA GLN A 73 11.617 -6.062 -0.248 1.00 0.00 C ATOM 415 C GLN A 73 12.187 -5.798 -1.636 1.00 0.00 C ATOM 416 O GLN A 73 13.344 -5.396 -1.736 1.00 0.00 O ATOM 417 CB GLN A 73 11.639 -7.573 0.047 1.00 0.00 C ATOM 418 CG GLN A 73 13.062 -8.114 0.235 1.00 0.00 C ATOM 419 CD GLN A 73 13.735 -7.471 1.437 1.00 0.00 C ATOM 420 OE1 GLN A 73 13.623 -7.947 2.559 1.00 0.00 O ATOM 421 NE2 GLN A 73 14.434 -6.364 1.242 1.00 0.00 N ATOM 0 H GLN A 73 9.569 -6.289 0.023 1.00 0.00 H new ATOM 0 HA GLN A 73 12.251 -5.524 0.457 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.056 -7.773 0.946 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.156 -8.107 -0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.029 -9.195 0.367 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.650 -7.920 -0.662 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.522 -5.975 0.303 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.885 -5.900 2.031 1.00 0.00 H new ATOM 430 N ASN A 74 11.394 -6.024 -2.683 1.00 0.00 N ATOM 431 CA ASN A 74 11.804 -5.856 -4.070 1.00 0.00 C ATOM 432 C ASN A 74 12.220 -4.433 -4.404 1.00 0.00 C ATOM 433 O ASN A 74 13.201 -4.240 -5.124 1.00 0.00 O ATOM 434 CB ASN A 74 10.682 -6.271 -5.041 1.00 0.00 C ATOM 435 CG ASN A 74 10.434 -7.774 -5.094 1.00 0.00 C ATOM 436 OD1 ASN A 74 11.367 -8.573 -5.151 1.00 0.00 O ATOM 437 ND2 ASN A 74 9.179 -8.190 -5.105 1.00 0.00 N ATOM 0 H ASN A 74 10.428 -6.336 -2.584 1.00 0.00 H new ATOM 0 HA ASN A 74 12.671 -6.506 -4.191 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.759 -5.771 -4.749 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.932 -5.919 -6.042 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.973 -9.187 -5.161 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.417 -7.514 -5.057 1.00 0.00 H new ATOM 444 N GLU A 75 11.511 -3.438 -3.873 1.00 0.00 N ATOM 445 CA GLU A 75 11.774 -2.025 -4.135 1.00 0.00 C ATOM 446 C GLU A 75 12.250 -1.280 -2.888 1.00 0.00 C ATOM 447 O GLU A 75 12.074 -0.067 -2.766 1.00 0.00 O ATOM 448 CB GLU A 75 10.527 -1.403 -4.768 1.00 0.00 C ATOM 449 CG GLU A 75 10.223 -1.948 -6.172 1.00 0.00 C ATOM 450 CD GLU A 75 11.036 -1.226 -7.252 1.00 0.00 C ATOM 451 OE1 GLU A 75 12.263 -1.043 -7.105 1.00 0.00 O ATOM 452 OE2 GLU A 75 10.438 -0.818 -8.272 1.00 0.00 O ATOM 0 H GLU A 75 10.727 -3.594 -3.240 1.00 0.00 H new ATOM 0 HA GLU A 75 12.601 -1.936 -4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.669 -1.587 -4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.658 -0.322 -4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.444 -3.015 -6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.159 -1.837 -6.383 1.00 0.00 H new ATOM 459 N ILE A 76 12.914 -1.989 -1.973 1.00 0.00 N ATOM 460 CA ILE A 76 13.455 -1.454 -0.722 1.00 0.00 C ATOM 461 C ILE A 76 14.451 -0.300 -0.930 1.00 0.00 C ATOM 462 O ILE A 76 14.834 0.382 0.019 1.00 0.00 O ATOM 463 CB ILE A 76 14.060 -2.636 0.071 1.00 0.00 C ATOM 464 CG1 ILE A 76 14.411 -2.326 1.534 1.00 0.00 C ATOM 465 CG2 ILE A 76 15.299 -3.226 -0.628 1.00 0.00 C ATOM 466 CD1 ILE A 76 13.238 -1.791 2.364 1.00 0.00 C ATOM 0 H ILE A 76 13.096 -2.986 -2.087 1.00 0.00 H new ATOM 0 HA ILE A 76 12.649 -0.997 -0.148 1.00 0.00 H new ATOM 0 HB ILE A 76 13.253 -3.369 0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.790 -3.233 2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 76 15.219 -1.595 1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 76 15.691 -4.053 -0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 76 15.021 -3.588 -1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 76 16.063 -2.455 -0.725 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.572 -1.598 3.384 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.871 -0.865 1.921 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.436 -2.529 2.378 1.00 0.00 H new ATOM 478 N ASN A 77 14.896 -0.078 -2.168 1.00 0.00 N ATOM 479 CA ASN A 77 15.847 0.955 -2.553 1.00 0.00 C ATOM 480 C ASN A 77 15.209 2.038 -3.426 1.00 0.00 C ATOM 481 O ASN A 77 15.944 2.763 -4.088 1.00 0.00 O ATOM 482 CB ASN A 77 17.076 0.304 -3.209 1.00 0.00 C ATOM 483 CG ASN A 77 17.745 -0.726 -2.306 1.00 0.00 C ATOM 484 OD1 ASN A 77 17.890 -1.891 -2.671 1.00 0.00 O ATOM 485 ND2 ASN A 77 18.149 -0.353 -1.104 1.00 0.00 N ATOM 0 H ASN A 77 14.587 -0.640 -2.961 1.00 0.00 H new ATOM 0 HA ASN A 77 16.179 1.476 -1.655 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.775 -0.176 -4.140 1.00 0.00 H new ATOM 0 HB3 ASN A 77 17.798 1.078 -3.468 1.00 0.00 H new ATOM 0 HD21 ASN A 77 18.582 -1.032 -0.478 1.00 0.00 H new ATOM 0 HD22 ASN A 77 18.028 0.614 -0.803 1.00 0.00 H new ATOM 492 N ASN A 78 13.873 2.137 -3.470 1.00 0.00 N ATOM 493 CA ASN A 78 13.169 3.150 -4.256 1.00 0.00 C ATOM 494 C ASN A 78 12.066 3.784 -3.413 1.00 0.00 C ATOM 495 O ASN A 78 11.337 3.070 -2.715 1.00 0.00 O ATOM 496 CB ASN A 78 12.585 2.556 -5.557 1.00 0.00 C ATOM 497 CG ASN A 78 12.845 3.520 -6.712 1.00 0.00 C ATOM 498 OD1 ASN A 78 13.974 3.931 -6.954 1.00 0.00 O ATOM 499 ND2 ASN A 78 11.826 3.987 -7.408 1.00 0.00 N ATOM 0 H ASN A 78 13.251 1.512 -2.958 1.00 0.00 H new ATOM 0 HA ASN A 78 13.888 3.918 -4.543 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.042 1.588 -5.766 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.514 2.386 -5.444 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.983 4.682 -8.138 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.882 3.653 -7.216 1.00 0.00 H new ATOM 506 N PRO A 79 11.876 5.109 -3.509 1.00 0.00 N ATOM 507 CA PRO A 79 10.868 5.840 -2.758 1.00 0.00 C ATOM 508 C PRO A 79 9.458 5.510 -3.229 1.00 0.00 C ATOM 509 O PRO A 79 8.520 5.644 -2.454 1.00 0.00 O ATOM 510 CB PRO A 79 11.187 7.317 -2.964 1.00 0.00 C ATOM 511 CG PRO A 79 11.844 7.305 -4.335 1.00 0.00 C ATOM 512 CD PRO A 79 12.656 6.035 -4.304 1.00 0.00 C ATOM 0 HA PRO A 79 10.894 5.567 -1.703 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.290 7.935 -2.946 1.00 0.00 H new ATOM 0 HB3 PRO A 79 11.855 7.702 -2.194 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.106 7.294 -5.137 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.471 8.183 -4.491 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.822 5.649 -5.310 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.638 6.205 -3.862 1.00 0.00 H new ATOM 520 N LYS A 80 9.278 5.015 -4.457 1.00 0.00 N ATOM 521 CA LYS A 80 7.972 4.647 -5.005 1.00 0.00 C ATOM 522 C LYS A 80 7.251 3.582 -4.172 1.00 0.00 C ATOM 523 O LYS A 80 6.059 3.365 -4.386 1.00 0.00 O ATOM 524 CB LYS A 80 8.176 4.143 -6.439 1.00 0.00 C ATOM 525 CG LYS A 80 8.212 5.291 -7.456 1.00 0.00 C ATOM 526 CD LYS A 80 6.804 5.604 -7.971 1.00 0.00 C ATOM 527 CE LYS A 80 6.909 6.528 -9.181 1.00 0.00 C ATOM 528 NZ LYS A 80 5.667 6.523 -9.966 1.00 0.00 N ATOM 0 H LYS A 80 10.048 4.857 -5.107 1.00 0.00 H new ATOM 0 HA LYS A 80 7.336 5.532 -4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.108 3.580 -6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.372 3.455 -6.699 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.641 6.180 -6.993 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.859 5.023 -8.291 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.290 4.682 -8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.213 6.077 -7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.127 7.543 -8.848 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.741 6.213 -9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.769 7.160 -10.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.473 5.558 -10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.878 6.847 -9.370 1.00 0.00 H new ATOM 542 N PHE A 81 7.941 2.943 -3.227 1.00 0.00 N ATOM 543 CA PHE A 81 7.408 1.904 -2.361 1.00 0.00 C ATOM 544 C PHE A 81 7.771 2.128 -0.889 1.00 0.00 C ATOM 545 O PHE A 81 7.472 1.286 -0.044 1.00 0.00 O ATOM 546 CB PHE A 81 7.937 0.568 -2.886 1.00 0.00 C ATOM 547 CG PHE A 81 7.608 0.281 -4.351 1.00 0.00 C ATOM 548 CD1 PHE A 81 8.344 0.845 -5.411 1.00 0.00 C ATOM 549 CD2 PHE A 81 6.520 -0.539 -4.664 1.00 0.00 C ATOM 550 CE1 PHE A 81 7.962 0.608 -6.745 1.00 0.00 C ATOM 551 CE2 PHE A 81 6.121 -0.779 -5.984 1.00 0.00 C ATOM 552 CZ PHE A 81 6.848 -0.197 -7.036 1.00 0.00 C ATOM 0 H PHE A 81 8.923 3.146 -3.041 1.00 0.00 H new ATOM 0 HA PHE A 81 6.318 1.918 -2.386 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.020 0.547 -2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.529 -0.235 -2.272 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.205 1.462 -5.200 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.968 -1.003 -3.860 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.530 1.049 -7.551 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.265 -1.404 -6.191 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.553 -0.367 -8.061 1.00 0.00 H new ATOM 562 N ASN A 82 8.383 3.271 -0.559 1.00 0.00 N ATOM 563 CA ASN A 82 8.801 3.609 0.801 1.00 0.00 C ATOM 564 C ASN A 82 7.676 3.576 1.829 1.00 0.00 C ATOM 565 O ASN A 82 7.936 3.335 3.007 1.00 0.00 O ATOM 566 CB ASN A 82 9.481 4.987 0.845 1.00 0.00 C ATOM 567 CG ASN A 82 8.613 6.200 0.485 1.00 0.00 C ATOM 568 OD1 ASN A 82 7.423 6.114 0.178 1.00 0.00 O ATOM 569 ND2 ASN A 82 9.204 7.382 0.486 1.00 0.00 N ATOM 0 H ASN A 82 8.604 3.996 -1.241 1.00 0.00 H new ATOM 0 HA ASN A 82 9.508 2.827 1.077 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.876 5.139 1.849 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.334 4.967 0.167 1.00 0.00 H new ATOM 0 HD21 ASN A 82 8.675 8.217 0.234 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.189 7.459 0.739 1.00 0.00 H new ATOM 576 N PHE A 83 6.430 3.773 1.402 1.00 0.00 N ATOM 577 CA PHE A 83 5.276 3.786 2.288 1.00 0.00 C ATOM 578 C PHE A 83 5.006 2.407 2.898 1.00 0.00 C ATOM 579 O PHE A 83 4.208 2.292 3.830 1.00 0.00 O ATOM 580 CB PHE A 83 4.063 4.366 1.552 1.00 0.00 C ATOM 581 CG PHE A 83 3.608 3.558 0.354 1.00 0.00 C ATOM 582 CD1 PHE A 83 2.766 2.444 0.542 1.00 0.00 C ATOM 583 CD2 PHE A 83 4.022 3.895 -0.950 1.00 0.00 C ATOM 584 CE1 PHE A 83 2.311 1.712 -0.563 1.00 0.00 C ATOM 585 CE2 PHE A 83 3.616 3.127 -2.032 1.00 0.00 C ATOM 586 CZ PHE A 83 2.704 2.085 -1.853 1.00 0.00 C ATOM 0 H PHE A 83 6.195 3.929 0.422 1.00 0.00 H new ATOM 0 HA PHE A 83 5.490 4.437 3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.234 4.449 2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.303 5.377 1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.471 2.154 1.539 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.657 4.754 -1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.659 0.863 -0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.007 3.336 -3.017 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.302 1.567 -2.711 1.00 0.00 H new ATOM 596 N LEU A 84 5.633 1.345 2.383 1.00 0.00 N ATOM 597 CA LEU A 84 5.455 0.002 2.913 1.00 0.00 C ATOM 598 C LEU A 84 6.267 -0.191 4.196 1.00 0.00 C ATOM 599 O LEU A 84 5.991 -1.136 4.940 1.00 0.00 O ATOM 600 CB LEU A 84 5.839 -1.035 1.852 1.00 0.00 C ATOM 601 CG LEU A 84 4.825 -1.153 0.707 1.00 0.00 C ATOM 602 CD1 LEU A 84 5.358 -2.176 -0.292 1.00 0.00 C ATOM 603 CD2 LEU A 84 3.447 -1.620 1.181 1.00 0.00 C ATOM 0 H LEU A 84 6.274 1.398 1.591 1.00 0.00 H new ATOM 0 HA LEU A 84 4.404 -0.138 3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.813 -0.774 1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.947 -2.008 2.331 1.00 0.00 H new ATOM 0 HG LEU A 84 4.704 -0.164 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.654 -2.279 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.322 -1.842 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.479 -3.139 0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.772 -1.685 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.536 -2.600 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.050 -0.908 1.904 1.00 0.00 H new ATOM 615 N ASN A 85 7.270 0.649 4.449 1.00 0.00 N ATOM 616 CA ASN A 85 8.104 0.598 5.654 1.00 0.00 C ATOM 617 C ASN A 85 7.463 1.501 6.705 1.00 0.00 C ATOM 618 O ASN A 85 6.847 2.508 6.363 1.00 0.00 O ATOM 619 CB ASN A 85 9.537 1.076 5.381 1.00 0.00 C ATOM 620 CG ASN A 85 10.278 0.096 4.489 1.00 0.00 C ATOM 621 OD1 ASN A 85 10.472 -1.057 4.873 1.00 0.00 O ATOM 622 ND2 ASN A 85 10.653 0.520 3.302 1.00 0.00 N ATOM 0 H ASN A 85 7.533 1.400 3.811 1.00 0.00 H new ATOM 0 HA ASN A 85 8.165 -0.435 5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.513 2.057 4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.072 1.191 6.324 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.125 -0.116 2.659 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.472 1.485 3.024 1.00 0.00 H new ATOM 629 N PRO A 86 7.650 1.211 8.000 1.00 0.00 N ATOM 630 CA PRO A 86 7.070 2.003 9.080 1.00 0.00 C ATOM 631 C PRO A 86 7.739 3.367 9.241 1.00 0.00 C ATOM 632 O PRO A 86 7.221 4.236 9.944 1.00 0.00 O ATOM 633 CB PRO A 86 7.284 1.160 10.337 1.00 0.00 C ATOM 634 CG PRO A 86 8.554 0.382 10.009 1.00 0.00 C ATOM 635 CD PRO A 86 8.371 0.071 8.531 1.00 0.00 C ATOM 0 HA PRO A 86 6.021 2.220 8.878 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.408 1.781 11.224 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.441 0.496 10.527 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.452 0.973 10.192 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.642 -0.525 10.608 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.331 -0.057 8.032 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.811 -0.853 8.387 1.00 0.00 H new ATOM 643 N ASN A 87 8.890 3.572 8.607 1.00 0.00 N ATOM 644 CA ASN A 87 9.640 4.817 8.686 1.00 0.00 C ATOM 645 C ASN A 87 9.020 5.920 7.835 1.00 0.00 C ATOM 646 O ASN A 87 9.543 7.033 7.787 1.00 0.00 O ATOM 647 CB ASN A 87 11.100 4.560 8.312 1.00 0.00 C ATOM 648 CG ASN A 87 11.705 3.395 9.090 1.00 0.00 C ATOM 649 OD1 ASN A 87 12.288 2.483 8.506 1.00 0.00 O ATOM 650 ND2 ASN A 87 11.530 3.328 10.397 1.00 0.00 N ATOM 0 H ASN A 87 9.332 2.867 8.017 1.00 0.00 H new ATOM 0 HA ASN A 87 9.600 5.177 9.714 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.167 4.354 7.244 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.684 5.461 8.500 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.878 2.523 10.917 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.047 4.082 10.886 1.00 0.00 H new ATOM 657 N ASP A 88 7.944 5.618 7.110 1.00 0.00 N ATOM 658 CA ASP A 88 7.249 6.591 6.290 1.00 0.00 C ATOM 659 C ASP A 88 6.023 7.029 7.089 1.00 0.00 C ATOM 660 O ASP A 88 5.396 6.210 7.777 1.00 0.00 O ATOM 661 CB ASP A 88 6.896 6.017 4.916 1.00 0.00 C ATOM 662 CG ASP A 88 7.582 6.844 3.832 1.00 0.00 C ATOM 663 OD1 ASP A 88 8.836 6.790 3.749 1.00 0.00 O ATOM 664 OD2 ASP A 88 6.853 7.581 3.134 1.00 0.00 O ATOM 0 H ASP A 88 7.533 4.685 7.079 1.00 0.00 H new ATOM 0 HA ASP A 88 7.878 7.454 6.073 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.214 4.976 4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.816 6.030 4.770 1.00 0.00 H new ATOM 669 N PRO A 89 5.656 8.313 7.014 1.00 0.00 N ATOM 670 CA PRO A 89 4.525 8.845 7.748 1.00 0.00 C ATOM 671 C PRO A 89 3.206 8.293 7.225 1.00 0.00 C ATOM 672 O PRO A 89 2.287 8.034 8.002 1.00 0.00 O ATOM 673 CB PRO A 89 4.615 10.360 7.557 1.00 0.00 C ATOM 674 CG PRO A 89 5.450 10.575 6.303 1.00 0.00 C ATOM 675 CD PRO A 89 6.315 9.337 6.223 1.00 0.00 C ATOM 0 HA PRO A 89 4.554 8.563 8.801 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.624 10.799 7.446 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.079 10.835 8.421 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.822 10.681 5.418 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.054 11.480 6.376 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.430 9.012 5.189 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.315 9.539 6.607 1.00 0.00 H new ATOM 683 N TYR A 90 3.121 8.094 5.910 1.00 0.00 N ATOM 684 CA TYR A 90 1.933 7.600 5.240 1.00 0.00 C ATOM 685 C TYR A 90 1.710 6.111 5.454 1.00 0.00 C ATOM 686 O TYR A 90 0.651 5.610 5.083 1.00 0.00 O ATOM 687 CB TYR A 90 2.029 7.935 3.754 1.00 0.00 C ATOM 688 CG TYR A 90 1.921 9.420 3.474 1.00 0.00 C ATOM 689 CD1 TYR A 90 0.653 10.003 3.300 1.00 0.00 C ATOM 690 CD2 TYR A 90 3.074 10.221 3.392 1.00 0.00 C ATOM 691 CE1 TYR A 90 0.532 11.341 2.898 1.00 0.00 C ATOM 692 CE2 TYR A 90 2.957 11.585 3.070 1.00 0.00 C ATOM 693 CZ TYR A 90 1.688 12.148 2.792 1.00 0.00 C ATOM 694 OH TYR A 90 1.602 13.456 2.425 1.00 0.00 O ATOM 0 H TYR A 90 3.896 8.278 5.273 1.00 0.00 H new ATOM 0 HA TYR A 90 1.066 8.094 5.678 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.978 7.565 3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.238 7.411 3.217 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.235 9.415 3.478 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.047 9.790 3.576 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.440 11.753 2.670 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.840 12.206 3.035 1.00 0.00 H new ATOM 0 HH TYR A 90 2.499 13.850 2.407 1.00 0.00 H new ATOM 704 N HIS A 91 2.667 5.397 6.047 1.00 0.00 N ATOM 705 CA HIS A 91 2.529 3.975 6.301 1.00 0.00 C ATOM 706 C HIS A 91 1.310 3.721 7.183 1.00 0.00 C ATOM 707 O HIS A 91 0.483 2.872 6.870 1.00 0.00 O ATOM 708 CB HIS A 91 3.798 3.479 6.976 1.00 0.00 C ATOM 709 CG HIS A 91 3.753 2.007 7.289 1.00 0.00 C ATOM 710 ND1 HIS A 91 3.986 1.004 6.387 1.00 0.00 N ATOM 711 CD2 HIS A 91 3.437 1.425 8.489 1.00 0.00 C ATOM 712 CE1 HIS A 91 3.857 -0.164 7.036 1.00 0.00 C ATOM 713 NE2 HIS A 91 3.519 0.038 8.321 1.00 0.00 N ATOM 0 H HIS A 91 3.553 5.792 6.361 1.00 0.00 H new ATOM 0 HA HIS A 91 2.384 3.436 5.365 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.652 3.683 6.330 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.956 4.038 7.899 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.216 1.123 5.400 1.00 0.00 H new ATOM 0 HD2 HIS A 91 3.173 1.943 9.399 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.005 -1.135 6.586 1.00 0.00 H new ATOM 721 N ALA A 92 1.157 4.490 8.264 1.00 0.00 N ATOM 722 CA ALA A 92 0.034 4.335 9.177 1.00 0.00 C ATOM 723 C ALA A 92 -1.319 4.521 8.474 1.00 0.00 C ATOM 724 O ALA A 92 -2.305 3.947 8.935 1.00 0.00 O ATOM 725 CB ALA A 92 0.208 5.319 10.335 1.00 0.00 C ATOM 0 H ALA A 92 1.807 5.232 8.525 1.00 0.00 H new ATOM 0 HA ALA A 92 0.029 3.315 9.561 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.626 5.215 11.029 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.142 5.107 10.856 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.233 6.337 9.947 1.00 0.00 H new ATOM 731 N TYR A 93 -1.359 5.323 7.403 1.00 0.00 N ATOM 732 CA TYR A 93 -2.547 5.581 6.596 1.00 0.00 C ATOM 733 C TYR A 93 -2.721 4.402 5.628 1.00 0.00 C ATOM 734 O TYR A 93 -3.832 3.911 5.455 1.00 0.00 O ATOM 735 CB TYR A 93 -2.409 6.946 5.894 1.00 0.00 C ATOM 736 CG TYR A 93 -3.324 7.176 4.701 1.00 0.00 C ATOM 737 CD1 TYR A 93 -4.683 7.490 4.879 1.00 0.00 C ATOM 738 CD2 TYR A 93 -2.809 7.069 3.398 1.00 0.00 C ATOM 739 CE1 TYR A 93 -5.526 7.657 3.765 1.00 0.00 C ATOM 740 CE2 TYR A 93 -3.651 7.183 2.276 1.00 0.00 C ATOM 741 CZ TYR A 93 -5.020 7.473 2.458 1.00 0.00 C ATOM 742 OH TYR A 93 -5.854 7.583 1.388 1.00 0.00 O ATOM 0 H TYR A 93 -0.536 5.824 7.068 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.449 5.648 7.204 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.596 7.730 6.627 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.377 7.059 5.563 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.082 7.604 5.876 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.752 6.897 3.256 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.562 7.926 3.909 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.252 7.049 1.281 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.409 7.230 0.589 1.00 0.00 H new ATOM 752 N TYR A 94 -1.631 3.903 5.033 1.00 0.00 N ATOM 753 CA TYR A 94 -1.651 2.770 4.114 1.00 0.00 C ATOM 754 C TYR A 94 -2.281 1.558 4.814 1.00 0.00 C ATOM 755 O TYR A 94 -3.102 0.854 4.222 1.00 0.00 O ATOM 756 CB TYR A 94 -0.216 2.460 3.621 1.00 0.00 C ATOM 757 CG TYR A 94 -0.076 1.136 2.890 1.00 0.00 C ATOM 758 CD1 TYR A 94 -0.274 1.011 1.501 1.00 0.00 C ATOM 759 CD2 TYR A 94 0.216 -0.009 3.642 1.00 0.00 C ATOM 760 CE1 TYR A 94 -0.281 -0.257 0.891 1.00 0.00 C ATOM 761 CE2 TYR A 94 0.220 -1.267 3.029 1.00 0.00 C ATOM 762 CZ TYR A 94 -0.070 -1.413 1.669 1.00 0.00 C ATOM 763 OH TYR A 94 -0.152 -2.670 1.155 1.00 0.00 O ATOM 0 H TYR A 94 -0.697 4.285 5.182 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.255 3.013 3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.109 3.263 2.959 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.458 2.461 4.478 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.422 1.896 0.899 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.438 0.079 4.695 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.448 -0.344 -0.172 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.452 -2.142 3.618 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.122 -3.324 1.884 1.00 0.00 H new ATOM 773 N ARG A 95 -1.922 1.330 6.085 1.00 0.00 N ATOM 774 CA ARG A 95 -2.436 0.223 6.898 1.00 0.00 C ATOM 775 C ARG A 95 -3.967 0.254 6.946 1.00 0.00 C ATOM 776 O ARG A 95 -4.588 -0.800 6.782 1.00 0.00 O ATOM 777 CB ARG A 95 -1.836 0.257 8.319 1.00 0.00 C ATOM 778 CG ARG A 95 -0.314 0.025 8.399 1.00 0.00 C ATOM 779 CD ARG A 95 0.123 -1.398 8.052 1.00 0.00 C ATOM 780 NE ARG A 95 -0.254 -2.349 9.104 1.00 0.00 N ATOM 781 CZ ARG A 95 -0.366 -3.675 8.986 1.00 0.00 C ATOM 782 NH1 ARG A 95 -0.209 -4.312 7.827 1.00 0.00 N ATOM 783 NH2 ARG A 95 -0.626 -4.373 10.083 1.00 0.00 N ATOM 0 H ARG A 95 -1.256 1.920 6.583 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.131 -0.713 6.431 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.063 1.224 8.768 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.334 -0.501 8.924 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.184 0.721 7.724 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.026 0.261 9.407 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.332 -1.699 7.108 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.203 -1.423 7.908 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.452 -1.955 10.024 1.00 0.00 H new ATOM 0 HH11 ARG A 95 0.006 -3.785 6.981 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -0.304 -5.327 7.786 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.734 -3.895 10.978 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -0.719 -5.388 10.032 1.00 0.00 H new ATOM 797 N HIS A 96 -4.568 1.431 7.149 1.00 0.00 N ATOM 798 CA HIS A 96 -6.017 1.604 7.197 1.00 0.00 C ATOM 799 C HIS A 96 -6.630 1.150 5.882 1.00 0.00 C ATOM 800 O HIS A 96 -7.556 0.338 5.878 1.00 0.00 O ATOM 801 CB HIS A 96 -6.362 3.083 7.463 1.00 0.00 C ATOM 802 CG HIS A 96 -7.825 3.412 7.309 1.00 0.00 C ATOM 803 ND1 HIS A 96 -8.866 2.956 8.083 1.00 0.00 N ATOM 804 CD2 HIS A 96 -8.362 4.166 6.300 1.00 0.00 C ATOM 805 CE1 HIS A 96 -10.002 3.423 7.547 1.00 0.00 C ATOM 806 NE2 HIS A 96 -9.753 4.158 6.443 1.00 0.00 N ATOM 0 H HIS A 96 -4.051 2.300 7.286 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.425 0.999 8.007 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -6.047 3.342 8.474 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -5.786 3.708 6.780 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -7.807 4.678 5.528 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.988 3.236 7.946 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.437 4.613 5.839 1.00 0.00 H new ATOM 814 N LYS A 97 -6.105 1.656 4.761 1.00 0.00 N ATOM 815 CA LYS A 97 -6.618 1.314 3.447 1.00 0.00 C ATOM 816 C LYS A 97 -6.643 -0.194 3.258 1.00 0.00 C ATOM 817 O LYS A 97 -7.655 -0.686 2.789 1.00 0.00 O ATOM 818 CB LYS A 97 -5.788 1.970 2.349 1.00 0.00 C ATOM 819 CG LYS A 97 -5.644 3.499 2.432 1.00 0.00 C ATOM 820 CD LYS A 97 -6.943 4.288 2.665 1.00 0.00 C ATOM 821 CE LYS A 97 -7.774 4.476 1.390 1.00 0.00 C ATOM 822 NZ LYS A 97 -8.272 5.862 1.237 1.00 0.00 N ATOM 0 H LYS A 97 -5.320 2.307 4.747 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.638 1.692 3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.791 1.530 2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.233 1.719 1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.950 3.735 3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.189 3.852 1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.546 3.770 3.411 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.697 5.266 3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.168 4.213 0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.620 3.789 1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.618 6.002 0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.049 6.028 1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.500 6.532 1.429 1.00 0.00 H new ATOM 836 N VAL A 98 -5.586 -0.933 3.607 1.00 0.00 N ATOM 837 CA VAL A 98 -5.565 -2.389 3.437 1.00 0.00 C ATOM 838 C VAL A 98 -6.810 -3.020 4.045 1.00 0.00 C ATOM 839 O VAL A 98 -7.523 -3.739 3.349 1.00 0.00 O ATOM 840 CB VAL A 98 -4.298 -2.994 4.057 1.00 0.00 C ATOM 841 CG1 VAL A 98 -4.391 -4.535 4.136 1.00 0.00 C ATOM 842 CG2 VAL A 98 -3.074 -2.521 3.252 1.00 0.00 C ATOM 0 H VAL A 98 -4.732 -0.546 4.010 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.557 -2.603 2.368 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.192 -2.647 5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.478 -4.932 4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.246 -4.817 4.751 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.515 -4.944 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.168 -2.945 3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.170 -2.849 2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.016 -1.433 3.284 1.00 0.00 H new ATOM 852 N SER A 99 -7.049 -2.754 5.327 1.00 0.00 N ATOM 853 CA SER A 99 -8.181 -3.287 6.058 1.00 0.00 C ATOM 854 C SER A 99 -9.489 -2.956 5.331 1.00 0.00 C ATOM 855 O SER A 99 -10.325 -3.831 5.108 1.00 0.00 O ATOM 856 CB SER A 99 -8.161 -2.663 7.467 1.00 0.00 C ATOM 857 OG SER A 99 -8.764 -3.489 8.442 1.00 0.00 O ATOM 0 H SER A 99 -6.448 -2.152 5.890 1.00 0.00 H new ATOM 0 HA SER A 99 -8.116 -4.373 6.129 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.129 -2.462 7.756 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.677 -1.703 7.441 1.00 0.00 H new ATOM 0 HG SER A 99 -8.723 -3.047 9.316 1.00 0.00 H new ATOM 863 N GLU A 100 -9.644 -1.701 4.934 1.00 0.00 N ATOM 864 CA GLU A 100 -10.819 -1.191 4.255 1.00 0.00 C ATOM 865 C GLU A 100 -11.050 -1.809 2.884 1.00 0.00 C ATOM 866 O GLU A 100 -12.187 -2.187 2.587 1.00 0.00 O ATOM 867 CB GLU A 100 -10.688 0.331 4.178 1.00 0.00 C ATOM 868 CG GLU A 100 -11.661 1.061 5.114 1.00 0.00 C ATOM 869 CD GLU A 100 -11.867 0.418 6.499 1.00 0.00 C ATOM 870 OE1 GLU A 100 -11.156 0.744 7.465 1.00 0.00 O ATOM 871 OE2 GLU A 100 -12.836 -0.350 6.682 1.00 0.00 O ATOM 0 H GLU A 100 -8.929 -0.989 5.082 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.702 -1.472 4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.666 0.616 4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.866 0.655 3.153 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.302 2.080 5.257 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.629 1.130 4.619 1.00 0.00 H new ATOM 878 N PHE A 101 -10.011 -1.913 2.048 1.00 0.00 N ATOM 879 CA PHE A 101 -10.157 -2.508 0.736 1.00 0.00 C ATOM 880 C PHE A 101 -10.490 -3.996 0.924 1.00 0.00 C ATOM 881 O PHE A 101 -11.213 -4.571 0.113 1.00 0.00 O ATOM 882 CB PHE A 101 -8.902 -2.306 -0.137 1.00 0.00 C ATOM 883 CG PHE A 101 -8.816 -0.991 -0.912 1.00 0.00 C ATOM 884 CD1 PHE A 101 -8.177 0.130 -0.350 1.00 0.00 C ATOM 885 CD2 PHE A 101 -9.282 -0.903 -2.241 1.00 0.00 C ATOM 886 CE1 PHE A 101 -8.000 1.312 -1.087 1.00 0.00 C ATOM 887 CE2 PHE A 101 -9.100 0.282 -2.987 1.00 0.00 C ATOM 888 CZ PHE A 101 -8.465 1.392 -2.406 1.00 0.00 C ATOM 0 H PHE A 101 -9.068 -1.591 2.265 1.00 0.00 H new ATOM 0 HA PHE A 101 -10.967 -2.013 0.200 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.024 -2.382 0.504 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.847 -3.127 -0.851 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -7.816 0.080 0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.782 -1.748 -2.691 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.505 2.160 -0.637 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -9.450 0.335 -4.007 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.336 2.302 -2.973 1.00 0.00 H new ATOM 898 N LYS A 102 -9.982 -4.630 1.991 1.00 0.00 N ATOM 899 CA LYS A 102 -10.241 -6.037 2.308 1.00 0.00 C ATOM 900 C LYS A 102 -11.712 -6.226 2.619 1.00 0.00 C ATOM 901 O LYS A 102 -12.313 -7.197 2.169 1.00 0.00 O ATOM 902 CB LYS A 102 -9.381 -6.469 3.504 1.00 0.00 C ATOM 903 CG LYS A 102 -8.257 -7.365 3.008 1.00 0.00 C ATOM 904 CD LYS A 102 -7.064 -7.472 3.945 1.00 0.00 C ATOM 905 CE LYS A 102 -6.549 -8.918 3.992 1.00 0.00 C ATOM 906 NZ LYS A 102 -6.205 -9.496 2.670 1.00 0.00 N ATOM 0 H LYS A 102 -9.371 -4.170 2.666 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.980 -6.656 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -8.970 -5.594 4.008 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.991 -7.000 4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.657 -8.364 2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.912 -6.991 2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.269 -6.807 3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.349 -7.148 4.946 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.666 -8.954 4.630 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.308 -9.545 4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.703 -10.401 2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.492 -8.837 1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.179 -9.656 2.617 1.00 0.00 H new ATOM 920 N GLU A 103 -12.278 -5.309 3.397 1.00 0.00 N ATOM 921 CA GLU A 103 -13.694 -5.334 3.763 1.00 0.00 C ATOM 922 C GLU A 103 -14.564 -5.000 2.547 1.00 0.00 C ATOM 923 O GLU A 103 -15.775 -5.220 2.567 1.00 0.00 O ATOM 924 CB GLU A 103 -13.962 -4.277 4.835 1.00 0.00 C ATOM 925 CG GLU A 103 -13.164 -4.498 6.122 1.00 0.00 C ATOM 926 CD GLU A 103 -14.046 -4.763 7.338 1.00 0.00 C ATOM 927 OE1 GLU A 103 -14.774 -5.779 7.354 1.00 0.00 O ATOM 928 OE2 GLU A 103 -14.017 -3.974 8.311 1.00 0.00 O ATOM 0 H GLU A 103 -11.766 -4.522 3.795 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.936 -6.331 4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.722 -3.293 4.432 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.026 -4.273 5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.487 -5.341 5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.546 -3.621 6.314 1.00 0.00 H new ATOM 935 N GLY A 104 -13.949 -4.441 1.504 1.00 0.00 N ATOM 936 CA GLY A 104 -14.592 -4.051 0.265 1.00 0.00 C ATOM 937 C GLY A 104 -15.567 -2.903 0.478 1.00 0.00 C ATOM 938 O GLY A 104 -16.529 -2.795 -0.280 1.00 0.00 O ATOM 0 H GLY A 104 -12.948 -4.243 1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -13.835 -3.756 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.122 -4.906 -0.156 1.00 0.00 H new ATOM 942 N LYS A 105 -15.374 -2.087 1.523 1.00 0.00 N ATOM 943 CA LYS A 105 -16.265 -0.966 1.815 1.00 0.00 C ATOM 944 C LYS A 105 -15.712 0.366 1.342 1.00 0.00 C ATOM 945 O LYS A 105 -16.508 1.276 1.108 1.00 0.00 O ATOM 946 CB LYS A 105 -16.592 -0.908 3.317 1.00 0.00 C ATOM 947 CG LYS A 105 -15.513 -0.209 4.159 1.00 0.00 C ATOM 948 CD LYS A 105 -15.812 -0.218 5.656 1.00 0.00 C ATOM 949 CE LYS A 105 -15.516 -1.598 6.247 1.00 0.00 C ATOM 950 NZ LYS A 105 -15.089 -1.520 7.653 1.00 0.00 N ATOM 0 H LYS A 105 -14.602 -2.187 2.182 1.00 0.00 H new ATOM 0 HA LYS A 105 -17.183 -1.145 1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -17.540 -0.388 3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -16.729 -1.923 3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.554 -0.697 3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.412 0.823 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.209 0.538 6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.857 0.042 5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.407 -2.222 6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.737 -2.084 5.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.981 -2.481 8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.179 -1.019 7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.804 -1.005 8.205 1.00 0.00 H new ATOM 964 N ALA A 106 -14.384 0.531 1.309 1.00 0.00 N ATOM 965 CA ALA A 106 -13.777 1.782 0.888 1.00 0.00 C ATOM 966 C ALA A 106 -14.034 2.046 -0.581 1.00 0.00 C ATOM 967 O ALA A 106 -14.266 1.123 -1.366 1.00 0.00 O ATOM 968 CB ALA A 106 -12.258 1.762 1.069 1.00 0.00 C ATOM 0 H ALA A 106 -13.715 -0.193 1.571 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.226 2.557 1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.840 2.715 0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.019 1.601 2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.831 0.956 0.473 1.00 0.00 H new ATOM 974 N GLN A 107 -13.945 3.324 -0.931 1.00 0.00 N ATOM 975 CA GLN A 107 -14.124 3.739 -2.300 1.00 0.00 C ATOM 976 C GLN A 107 -12.813 3.485 -3.030 1.00 0.00 C ATOM 977 O GLN A 107 -11.726 3.842 -2.567 1.00 0.00 O ATOM 978 CB GLN A 107 -14.562 5.203 -2.425 1.00 0.00 C ATOM 979 CG GLN A 107 -13.573 6.230 -1.851 1.00 0.00 C ATOM 980 CD GLN A 107 -14.118 7.643 -1.974 1.00 0.00 C ATOM 981 OE1 GLN A 107 -13.586 8.474 -2.709 1.00 0.00 O ATOM 982 NE2 GLN A 107 -15.163 7.958 -1.233 1.00 0.00 N ATOM 0 H GLN A 107 -13.750 4.084 -0.279 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.932 3.161 -2.749 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -14.725 5.429 -3.479 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -15.521 5.324 -1.921 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.376 6.003 -0.803 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.622 6.157 -2.378 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.591 7.256 -0.630 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.543 8.904 -1.263 1.00 0.00 H new ATOM 991 N GLU A 108 -12.936 2.846 -4.180 1.00 0.00 N ATOM 992 CA GLU A 108 -11.833 2.531 -5.059 1.00 0.00 C ATOM 993 C GLU A 108 -11.275 3.859 -5.598 1.00 0.00 C ATOM 994 O GLU A 108 -11.993 4.868 -5.621 1.00 0.00 O ATOM 995 CB GLU A 108 -12.351 1.662 -6.208 1.00 0.00 C ATOM 996 CG GLU A 108 -12.918 0.323 -5.720 1.00 0.00 C ATOM 997 CD GLU A 108 -13.621 -0.399 -6.860 1.00 0.00 C ATOM 998 OE1 GLU A 108 -14.582 0.176 -7.422 1.00 0.00 O ATOM 999 OE2 GLU A 108 -13.211 -1.530 -7.189 1.00 0.00 O ATOM 0 H GLU A 108 -13.836 2.524 -4.535 1.00 0.00 H new ATOM 0 HA GLU A 108 -11.048 1.985 -4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -13.125 2.205 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.540 1.475 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.114 -0.299 -5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.618 0.493 -4.902 1.00 0.00 H new ATOM 1006 N PRO A 109 -10.019 3.884 -6.058 1.00 0.00 N ATOM 1007 CA PRO A 109 -9.393 5.087 -6.580 1.00 0.00 C ATOM 1008 C PRO A 109 -9.967 5.464 -7.947 1.00 0.00 C ATOM 1009 O PRO A 109 -10.840 4.787 -8.496 1.00 0.00 O ATOM 1010 CB PRO A 109 -7.900 4.762 -6.636 1.00 0.00 C ATOM 1011 CG PRO A 109 -7.893 3.262 -6.878 1.00 0.00 C ATOM 1012 CD PRO A 109 -9.098 2.766 -6.089 1.00 0.00 C ATOM 0 HA PRO A 109 -9.580 5.959 -5.953 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -7.398 5.304 -7.437 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.393 5.025 -5.707 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.984 3.027 -7.938 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -6.968 2.804 -6.528 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.550 1.897 -6.566 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -8.812 2.464 -5.082 1.00 0.00 H new ATOM 1020 N SER A 110 -9.487 6.583 -8.475 1.00 0.00 N ATOM 1021 CA SER A 110 -9.865 7.146 -9.755 1.00 0.00 C ATOM 1022 C SER A 110 -8.658 7.938 -10.225 1.00 0.00 C ATOM 1023 O SER A 110 -8.019 8.606 -9.382 1.00 0.00 O ATOM 1024 CB SER A 110 -11.113 8.027 -9.579 1.00 0.00 C ATOM 1025 OG SER A 110 -11.931 7.997 -10.738 1.00 0.00 O ATOM 0 H SER A 110 -8.788 7.148 -7.993 1.00 0.00 H new ATOM 0 HA SER A 110 -10.127 6.389 -10.494 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.686 7.683 -8.718 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.810 9.053 -9.371 1.00 0.00 H new ATOM 0 HG SER A 110 -12.718 8.564 -10.598 1.00 0.00 H new TER 1031 SER A 110