USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 893 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 108 THR OG1 : rot 40:sc= 0.104! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -16! C(o=-19!,f=-16!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.498) USER MOD Set 2.2: A 103 THR OG1 : rot -145:sc= -2.74! USER MOD Set 3.1: A 37 LYS NZ :NH3+ -136:sc= -1.19 (180deg=-1.63) USER MOD Set 3.2: A 67 HIS : no HD1:sc= -1.23! C(o=-2.4!,f=-13!) USER MOD Set 4.1: A 45 CYS SG : rot 43:sc= -1.44! USER MOD Set 4.2: A 80 HIS : no HD1:sc= -0.446 K(o=-1.9,f=-4!) USER MOD Set 5.1: A 40 HIS : no HD1:sc= -1.56! C(o=-1.6!,f=-3.9!) USER MOD Set 5.2: A 74 SER OG : rot -150:sc= -0.0295 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 162:sc= -0.396 (180deg=-1.63!) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= -0.0206 (180deg=-0.45) USER MOD Single : A 12 ASN : amide:sc= -0.216 X(o=-0.22,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= -1.65! (180deg=-2.26!) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.77! C(o=-4.7!,f=-1.8!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 41 TYR OH : rot -164:sc= -1.48 USER MOD Single : A 47 GLN :FLIP amide:sc= -4.89! C(o=-7.3!,f=-4.9!) USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= -0.572 (180deg=-1.35!) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.326! C(o=-13!,f=-0.33!) USER MOD Single : A 66 LYS NZ :NH3+ 153:sc= -0.0311 (180deg=-0.322) USER MOD Single : A 68 HIS : no HD1:sc= -3.88! C(o=-3.9!,f=-4.9!) USER MOD Single : A 70 THR OG1 : rot 123:sc= -5.05! USER MOD Single : A 77 TYR OH : rot 130:sc= -0.515 USER MOD Single : A 82 SER OG : rot 140:sc= -0.319 USER MOD Single : A 83 CYS SG : rot 180:sc= -1.24 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -137:sc= -1.89! (180deg=-4.26!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0128) USER MOD Single : A 118 GLN :FLIP amide:sc= -4.41! C(o=-5.6!,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.420 -8.616 85.600 1.00 0.00 N ATOM 44 CA LYS A 4 -6.353 -8.148 87.014 1.00 0.00 C ATOM 45 C LYS A 4 -5.989 -9.313 87.942 1.00 0.00 C ATOM 46 O LYS A 4 -5.095 -9.209 88.757 1.00 0.00 O ATOM 47 CB LYS A 4 -7.712 -7.568 87.418 1.00 0.00 C ATOM 48 CG LYS A 4 -8.227 -6.648 86.306 1.00 0.00 C ATOM 49 CD LYS A 4 -9.243 -5.655 86.880 1.00 0.00 C ATOM 50 CE LYS A 4 -10.481 -6.408 87.368 1.00 0.00 C ATOM 51 NZ LYS A 4 -11.560 -5.432 87.697 1.00 0.00 N ATOM 0 HA LYS A 4 -5.585 -7.380 87.102 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.424 -8.373 87.597 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.619 -7.012 88.351 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.395 -6.109 85.853 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.690 -7.241 85.517 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.796 -5.098 87.704 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.525 -4.927 86.119 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.825 -7.101 86.600 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.234 -7.004 88.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.402 -5.944 88.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.230 -4.788 88.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.802 -4.882 86.848 1.00 0.00 H new ATOM 65 N GLU A 5 -6.674 -10.420 87.833 1.00 0.00 N ATOM 66 CA GLU A 5 -6.361 -11.581 88.720 1.00 0.00 C ATOM 67 C GLU A 5 -4.943 -12.093 88.431 1.00 0.00 C ATOM 68 O GLU A 5 -4.147 -12.282 89.329 1.00 0.00 O ATOM 69 CB GLU A 5 -7.379 -12.699 88.467 1.00 0.00 C ATOM 70 CG GLU A 5 -7.495 -13.585 89.711 1.00 0.00 C ATOM 71 CD GLU A 5 -6.140 -14.229 90.011 1.00 0.00 C ATOM 72 OE1 GLU A 5 -5.683 -15.009 89.192 1.00 0.00 O ATOM 73 OE2 GLU A 5 -5.584 -13.932 91.055 1.00 0.00 O ATOM 0 H GLU A 5 -7.435 -10.572 87.171 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.416 -11.266 89.762 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.351 -12.270 88.223 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.070 -13.298 87.610 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.823 -12.991 90.564 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.248 -14.357 89.551 1.00 0.00 H new ATOM 80 N PHE A 6 -4.625 -12.322 87.185 1.00 0.00 N ATOM 81 CA PHE A 6 -3.264 -12.825 86.828 1.00 0.00 C ATOM 82 C PHE A 6 -2.208 -11.773 87.188 1.00 0.00 C ATOM 83 O PHE A 6 -1.116 -12.093 87.616 1.00 0.00 O ATOM 84 CB PHE A 6 -3.222 -13.097 85.320 1.00 0.00 C ATOM 85 CG PHE A 6 -1.798 -13.333 84.866 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.156 -14.538 85.174 1.00 0.00 C ATOM 87 CD2 PHE A 6 -1.127 -12.352 84.126 1.00 0.00 C ATOM 88 CE1 PHE A 6 0.158 -14.761 84.744 1.00 0.00 C ATOM 89 CE2 PHE A 6 0.186 -12.575 83.694 1.00 0.00 C ATOM 90 CZ PHE A 6 0.829 -13.780 84.003 1.00 0.00 C ATOM 0 H PHE A 6 -5.253 -12.182 86.393 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.053 -13.741 87.381 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.835 -13.967 85.084 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.647 -12.251 84.780 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.674 -15.296 85.743 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.623 -11.422 83.888 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.654 -15.690 84.984 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.703 -11.818 83.123 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.842 -13.953 83.670 1.00 0.00 H new ATOM 100 N MET A 7 -2.524 -10.519 87.000 1.00 0.00 N ATOM 101 CA MET A 7 -1.544 -9.436 87.309 1.00 0.00 C ATOM 102 C MET A 7 -1.529 -9.134 88.817 1.00 0.00 C ATOM 103 O MET A 7 -0.493 -9.153 89.453 1.00 0.00 O ATOM 104 CB MET A 7 -1.948 -8.180 86.529 1.00 0.00 C ATOM 105 CG MET A 7 -1.430 -6.925 87.233 1.00 0.00 C ATOM 106 SD MET A 7 -1.491 -5.519 86.090 1.00 0.00 S ATOM 107 CE MET A 7 -3.119 -5.846 85.361 1.00 0.00 C ATOM 0 H MET A 7 -3.424 -10.196 86.644 1.00 0.00 H new ATOM 0 HA MET A 7 -0.543 -9.755 87.018 1.00 0.00 H new ATOM 0 HB2 MET A 7 -1.547 -8.228 85.517 1.00 0.00 H new ATOM 0 HB3 MET A 7 -3.033 -8.133 86.440 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.034 -6.715 88.116 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.408 -7.084 87.576 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.488 -4.943 84.875 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.034 -6.646 84.625 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.815 -6.146 86.144 1.00 0.00 H new ATOM 117 N TRP A 8 -2.664 -8.843 89.391 1.00 0.00 N ATOM 118 CA TRP A 8 -2.705 -8.531 90.850 1.00 0.00 C ATOM 119 C TRP A 8 -2.011 -9.646 91.639 1.00 0.00 C ATOM 120 O TRP A 8 -1.846 -9.562 92.841 1.00 0.00 O ATOM 121 CB TRP A 8 -4.162 -8.409 91.297 1.00 0.00 C ATOM 122 CG TRP A 8 -4.224 -7.738 92.631 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.497 -8.362 93.799 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.020 -6.332 92.956 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.472 -7.430 94.821 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.183 -6.164 94.351 1.00 0.00 C ATOM 127 CE3 TRP A 8 -3.712 -5.197 92.182 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -4.044 -4.915 94.959 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -3.572 -3.938 92.791 1.00 0.00 C ATOM 130 CH2 TRP A 8 -3.739 -3.797 94.176 1.00 0.00 C ATOM 0 H TRP A 8 -3.565 -8.807 88.914 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.186 -7.591 91.037 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.731 -7.837 90.564 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.619 -9.397 91.354 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.701 -9.416 93.915 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.646 -7.651 95.802 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.583 -5.294 91.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.171 -4.813 96.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.334 -3.074 92.188 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -3.632 -2.826 94.638 1.00 0.00 H new ATOM 141 N ALA A 9 -1.599 -10.689 90.968 1.00 0.00 N ATOM 142 CA ALA A 9 -0.907 -11.807 91.665 1.00 0.00 C ATOM 143 C ALA A 9 0.588 -11.486 91.763 1.00 0.00 C ATOM 144 O ALA A 9 1.201 -11.658 92.798 1.00 0.00 O ATOM 145 CB ALA A 9 -1.117 -13.104 90.882 1.00 0.00 C ATOM 0 H ALA A 9 -1.714 -10.813 89.962 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.316 -11.930 92.668 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.610 -13.923 91.392 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.183 -13.321 90.817 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.707 -12.993 89.878 1.00 0.00 H new ATOM 151 N LEU A 10 1.172 -10.995 90.701 1.00 0.00 N ATOM 152 CA LEU A 10 2.618 -10.629 90.742 1.00 0.00 C ATOM 153 C LEU A 10 2.839 -9.726 91.953 1.00 0.00 C ATOM 154 O LEU A 10 3.940 -9.551 92.438 1.00 0.00 O ATOM 155 CB LEU A 10 2.995 -9.813 89.490 1.00 0.00 C ATOM 156 CG LEU A 10 2.526 -10.505 88.201 1.00 0.00 C ATOM 157 CD1 LEU A 10 2.068 -9.440 87.195 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.690 -11.288 87.592 1.00 0.00 C ATOM 0 H LEU A 10 0.709 -10.832 89.807 1.00 0.00 H new ATOM 0 HA LEU A 10 3.219 -11.537 90.790 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.549 -8.821 89.554 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.076 -9.675 89.457 1.00 0.00 H new ATOM 0 HG LEU A 10 1.703 -11.182 88.431 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.734 -9.925 86.278 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.246 -8.866 87.622 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.899 -8.771 86.970 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.359 -11.780 86.677 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.507 -10.604 87.361 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.035 -12.039 88.303 1.00 0.00 H new ATOM 170 N LYS A 11 1.777 -9.110 92.391 1.00 0.00 N ATOM 171 CA LYS A 11 1.842 -8.138 93.524 1.00 0.00 C ATOM 172 C LYS A 11 1.927 -8.808 94.900 1.00 0.00 C ATOM 173 O LYS A 11 2.951 -8.786 95.555 1.00 0.00 O ATOM 174 CB LYS A 11 0.570 -7.296 93.484 1.00 0.00 C ATOM 175 CG LYS A 11 0.511 -6.398 94.711 1.00 0.00 C ATOM 176 CD LYS A 11 -0.506 -5.291 94.461 1.00 0.00 C ATOM 177 CE LYS A 11 -0.801 -4.574 95.773 1.00 0.00 C ATOM 178 NZ LYS A 11 0.473 -4.066 96.353 1.00 0.00 N ATOM 0 H LYS A 11 0.843 -9.241 92.003 1.00 0.00 H new ATOM 0 HA LYS A 11 2.749 -7.547 93.399 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.551 -6.691 92.577 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.306 -7.944 93.453 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.229 -6.978 95.590 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.493 -5.970 94.913 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.119 -4.585 93.726 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.423 -5.710 94.048 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.491 -3.748 95.602 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.286 -5.255 96.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.264 -3.334 97.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.985 -4.850 96.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.061 -3.659 95.597 1.00 0.00 H new ATOM 192 N ASN A 12 0.836 -9.339 95.367 1.00 0.00 N ATOM 193 CA ASN A 12 0.811 -9.940 96.728 1.00 0.00 C ATOM 194 C ASN A 12 1.478 -11.314 96.735 1.00 0.00 C ATOM 195 O ASN A 12 1.115 -12.189 97.495 1.00 0.00 O ATOM 196 CB ASN A 12 -0.648 -10.079 97.157 1.00 0.00 C ATOM 197 CG ASN A 12 -1.026 -8.923 98.086 1.00 0.00 C ATOM 198 OD1 ASN A 12 -1.002 -9.067 99.291 1.00 0.00 O ATOM 199 ND2 ASN A 12 -1.372 -7.773 97.573 1.00 0.00 N ATOM 0 H ASN A 12 -0.048 -9.383 94.861 1.00 0.00 H new ATOM 0 HA ASN A 12 1.360 -9.298 97.417 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.296 -10.080 96.281 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.798 -11.031 97.666 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.622 -6.996 98.185 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.392 -7.652 96.560 1.00 0.00 H new ATOM 206 N GLY A 13 2.464 -11.503 95.916 1.00 0.00 N ATOM 207 CA GLY A 13 3.168 -12.806 95.894 1.00 0.00 C ATOM 208 C GLY A 13 2.171 -13.944 95.705 1.00 0.00 C ATOM 209 O GLY A 13 2.445 -15.077 96.047 1.00 0.00 O ATOM 0 H GLY A 13 2.815 -10.808 95.257 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.900 -12.818 95.087 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.717 -12.946 96.825 1.00 0.00 H new ATOM 213 N ASP A 14 1.025 -13.666 95.146 1.00 0.00 N ATOM 214 CA ASP A 14 0.048 -14.757 94.917 1.00 0.00 C ATOM 215 C ASP A 14 0.626 -15.655 93.837 1.00 0.00 C ATOM 216 O ASP A 14 -0.005 -15.995 92.857 1.00 0.00 O ATOM 217 CB ASP A 14 -1.286 -14.185 94.464 1.00 0.00 C ATOM 218 CG ASP A 14 -1.523 -12.835 95.141 1.00 0.00 C ATOM 219 OD1 ASP A 14 -0.697 -11.956 94.969 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.527 -12.705 95.823 1.00 0.00 O ATOM 0 H ASP A 14 0.729 -12.739 94.842 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.127 -15.317 95.836 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.293 -14.066 93.381 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.092 -14.875 94.714 1.00 0.00 H new ATOM 225 N LEU A 15 1.852 -16.004 94.039 1.00 0.00 N ATOM 226 CA LEU A 15 2.603 -16.859 93.095 1.00 0.00 C ATOM 227 C LEU A 15 1.727 -18.027 92.630 1.00 0.00 C ATOM 228 O LEU A 15 1.841 -18.503 91.520 1.00 0.00 O ATOM 229 CB LEU A 15 3.848 -17.351 93.848 1.00 0.00 C ATOM 230 CG LEU A 15 4.769 -18.194 92.960 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.233 -19.624 92.855 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.884 -17.573 91.564 1.00 0.00 C ATOM 0 H LEU A 15 2.390 -15.719 94.857 1.00 0.00 H new ATOM 0 HA LEU A 15 2.895 -16.311 92.199 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.401 -16.493 94.231 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.539 -17.941 94.711 1.00 0.00 H new ATOM 0 HG LEU A 15 5.760 -18.218 93.413 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.895 -20.215 92.222 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.188 -20.070 93.849 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.234 -19.607 92.420 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.542 -18.185 90.947 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.897 -17.525 91.105 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.295 -16.567 91.646 1.00 0.00 H new ATOM 244 N ASP A 16 0.845 -18.482 93.466 1.00 0.00 N ATOM 245 CA ASP A 16 -0.049 -19.602 93.083 1.00 0.00 C ATOM 246 C ASP A 16 -0.978 -19.160 91.947 1.00 0.00 C ATOM 247 O ASP A 16 -1.423 -19.958 91.144 1.00 0.00 O ATOM 248 CB ASP A 16 -0.886 -19.984 94.297 1.00 0.00 C ATOM 249 CG ASP A 16 0.035 -20.445 95.426 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.768 -21.398 95.216 1.00 0.00 O ATOM 251 OD2 ASP A 16 -0.006 -19.837 96.483 1.00 0.00 O ATOM 0 H ASP A 16 0.703 -18.122 94.410 1.00 0.00 H new ATOM 0 HA ASP A 16 0.544 -20.452 92.746 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.482 -19.132 94.624 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.584 -20.779 94.035 1.00 0.00 H new ATOM 256 N GLU A 17 -1.293 -17.893 91.894 1.00 0.00 N ATOM 257 CA GLU A 17 -2.216 -17.384 90.835 1.00 0.00 C ATOM 258 C GLU A 17 -1.467 -17.186 89.505 1.00 0.00 C ATOM 259 O GLU A 17 -1.923 -17.624 88.465 1.00 0.00 O ATOM 260 CB GLU A 17 -2.822 -16.059 91.300 1.00 0.00 C ATOM 261 CG GLU A 17 -4.029 -16.334 92.205 1.00 0.00 C ATOM 262 CD GLU A 17 -3.660 -17.377 93.266 1.00 0.00 C ATOM 263 OE1 GLU A 17 -2.683 -17.165 93.964 1.00 0.00 O ATOM 264 OE2 GLU A 17 -4.366 -18.368 93.363 1.00 0.00 O ATOM 0 H GLU A 17 -0.949 -17.184 92.542 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.007 -18.115 90.669 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.076 -15.476 91.840 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.128 -15.466 90.439 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.351 -15.411 92.687 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.868 -16.691 91.608 1.00 0.00 H new ATOM 271 N VAL A 18 -0.323 -16.549 89.517 1.00 0.00 N ATOM 272 CA VAL A 18 0.426 -16.362 88.229 1.00 0.00 C ATOM 273 C VAL A 18 0.829 -17.743 87.730 1.00 0.00 C ATOM 274 O VAL A 18 0.854 -18.019 86.546 1.00 0.00 O ATOM 275 CB VAL A 18 1.714 -15.548 88.467 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.530 -14.092 88.030 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.085 -15.593 89.950 1.00 0.00 C ATOM 0 H VAL A 18 0.122 -16.155 90.346 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.203 -15.835 87.512 1.00 0.00 H new ATOM 0 HB VAL A 18 2.514 -15.990 87.872 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.452 -13.539 88.208 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.287 -14.059 86.968 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.720 -13.640 88.602 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.996 -15.017 90.115 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.274 -15.167 90.541 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.250 -16.627 90.253 1.00 0.00 H new ATOM 287 N LYS A 19 1.147 -18.606 88.651 1.00 0.00 N ATOM 288 CA LYS A 19 1.562 -19.991 88.310 1.00 0.00 C ATOM 289 C LYS A 19 0.422 -20.725 87.607 1.00 0.00 C ATOM 290 O LYS A 19 0.642 -21.566 86.764 1.00 0.00 O ATOM 291 CB LYS A 19 1.928 -20.703 89.616 1.00 0.00 C ATOM 292 CG LYS A 19 1.961 -22.219 89.424 1.00 0.00 C ATOM 293 CD LYS A 19 2.631 -22.861 90.645 1.00 0.00 C ATOM 294 CE LYS A 19 4.146 -22.621 90.598 1.00 0.00 C ATOM 295 NZ LYS A 19 4.854 -23.902 90.874 1.00 0.00 N ATOM 0 H LYS A 19 1.136 -18.403 89.651 1.00 0.00 H new ATOM 0 HA LYS A 19 2.417 -19.977 87.634 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.901 -20.356 89.963 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.204 -20.447 90.389 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.949 -22.606 89.303 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.510 -22.472 88.517 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.216 -22.441 91.561 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.424 -23.931 90.663 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.435 -22.235 89.620 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.430 -21.869 91.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.882 -23.744 90.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.585 -24.251 91.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.590 -24.606 90.156 1.00 0.00 H new ATOM 309 N ASP A 20 -0.792 -20.413 87.945 1.00 0.00 N ATOM 310 CA ASP A 20 -1.943 -21.100 87.296 1.00 0.00 C ATOM 311 C ASP A 20 -1.932 -20.806 85.792 1.00 0.00 C ATOM 312 O ASP A 20 -1.902 -21.708 84.978 1.00 0.00 O ATOM 313 CB ASP A 20 -3.255 -20.602 87.910 1.00 0.00 C ATOM 314 CG ASP A 20 -4.436 -21.181 87.127 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.852 -22.284 87.446 1.00 0.00 O ATOM 316 OD2 ASP A 20 -4.907 -20.511 86.222 1.00 0.00 O ATOM 0 H ASP A 20 -1.041 -19.712 88.643 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.859 -22.175 87.455 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.316 -20.902 88.956 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.289 -19.513 87.888 1.00 0.00 H new ATOM 321 N TYR A 21 -1.951 -19.557 85.407 1.00 0.00 N ATOM 322 CA TYR A 21 -1.932 -19.238 83.948 1.00 0.00 C ATOM 323 C TYR A 21 -0.604 -19.704 83.336 1.00 0.00 C ATOM 324 O TYR A 21 -0.577 -20.334 82.300 1.00 0.00 O ATOM 325 CB TYR A 21 -2.085 -17.727 83.738 1.00 0.00 C ATOM 326 CG TYR A 21 -3.424 -17.264 84.268 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.603 -17.070 85.643 1.00 0.00 C ATOM 328 CD2 TYR A 21 -4.484 -17.023 83.383 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.840 -16.634 86.134 1.00 0.00 C ATOM 330 CE2 TYR A 21 -5.722 -16.588 83.875 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.899 -16.394 85.250 1.00 0.00 C ATOM 332 OH TYR A 21 -7.118 -15.963 85.736 1.00 0.00 O ATOM 0 H TYR A 21 -1.979 -18.751 86.032 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.761 -19.753 83.462 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.280 -17.197 84.248 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.002 -17.489 82.678 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.787 -17.257 86.325 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.347 -17.173 82.322 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.977 -16.483 87.195 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.539 -16.403 83.194 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.743 -15.843 84.991 1.00 0.00 H new ATOM 342 N VAL A 22 0.499 -19.391 83.965 1.00 0.00 N ATOM 343 CA VAL A 22 1.821 -19.811 83.415 1.00 0.00 C ATOM 344 C VAL A 22 1.973 -21.334 83.525 1.00 0.00 C ATOM 345 O VAL A 22 2.720 -21.943 82.784 1.00 0.00 O ATOM 346 CB VAL A 22 2.943 -19.091 84.170 1.00 0.00 C ATOM 347 CG1 VAL A 22 4.296 -19.714 83.820 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.946 -17.616 83.754 1.00 0.00 C ATOM 0 H VAL A 22 0.541 -18.862 84.836 1.00 0.00 H new ATOM 0 HA VAL A 22 1.883 -19.539 82.361 1.00 0.00 H new ATOM 0 HB VAL A 22 2.777 -19.183 85.243 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.087 -19.195 84.362 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.295 -20.767 84.100 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.472 -19.624 82.748 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.740 -17.090 84.284 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.115 -17.541 82.680 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.985 -17.166 84.002 1.00 0.00 H new ATOM 358 N ALA A 23 1.255 -21.960 84.423 1.00 0.00 N ATOM 359 CA ALA A 23 1.345 -23.442 84.540 1.00 0.00 C ATOM 360 C ALA A 23 0.806 -24.042 83.241 1.00 0.00 C ATOM 361 O ALA A 23 1.058 -25.182 82.906 1.00 0.00 O ATOM 362 CB ALA A 23 0.488 -23.933 85.713 1.00 0.00 C ATOM 0 H ALA A 23 0.614 -21.509 85.076 1.00 0.00 H new ATOM 0 HA ALA A 23 2.378 -23.742 84.714 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.562 -25.018 85.788 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.844 -23.480 86.638 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.552 -23.651 85.547 1.00 0.00 H new ATOM 368 N LYS A 24 0.064 -23.253 82.514 1.00 0.00 N ATOM 369 CA LYS A 24 -0.522 -23.698 81.229 1.00 0.00 C ATOM 370 C LYS A 24 0.597 -24.161 80.296 1.00 0.00 C ATOM 371 O LYS A 24 0.854 -25.340 80.154 1.00 0.00 O ATOM 372 CB LYS A 24 -1.250 -22.493 80.631 1.00 0.00 C ATOM 373 CG LYS A 24 -1.891 -22.840 79.287 1.00 0.00 C ATOM 374 CD LYS A 24 -3.072 -23.806 79.468 1.00 0.00 C ATOM 375 CE LYS A 24 -4.089 -23.253 80.475 1.00 0.00 C ATOM 376 NZ LYS A 24 -4.207 -21.775 80.322 1.00 0.00 N ATOM 0 H LYS A 24 -0.164 -22.292 82.769 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.212 -24.530 81.370 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.018 -22.149 81.324 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.548 -21.670 80.499 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.235 -21.928 78.799 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.146 -23.291 78.631 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.560 -23.972 78.508 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.705 -24.773 79.811 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.060 -23.722 80.318 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.778 -23.498 81.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.126 -21.460 80.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.441 -21.309 80.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.137 -21.523 79.315 1.00 0.00 H new ATOM 390 N GLY A 25 1.266 -23.240 79.661 1.00 0.00 N ATOM 391 CA GLY A 25 2.370 -23.620 78.743 1.00 0.00 C ATOM 392 C GLY A 25 3.280 -22.417 78.508 1.00 0.00 C ATOM 393 O GLY A 25 3.138 -21.696 77.543 1.00 0.00 O ATOM 0 H GLY A 25 1.094 -22.238 79.740 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.943 -24.444 79.169 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.963 -23.971 77.795 1.00 0.00 H new ATOM 397 N GLU A 26 4.218 -22.218 79.388 1.00 0.00 N ATOM 398 CA GLU A 26 5.182 -21.085 79.263 1.00 0.00 C ATOM 399 C GLU A 26 4.558 -19.888 78.535 1.00 0.00 C ATOM 400 O GLU A 26 4.495 -19.843 77.321 1.00 0.00 O ATOM 401 CB GLU A 26 6.436 -21.554 78.530 1.00 0.00 C ATOM 402 CG GLU A 26 6.054 -22.515 77.411 1.00 0.00 C ATOM 403 CD GLU A 26 5.672 -23.875 78.001 1.00 0.00 C ATOM 404 OE1 GLU A 26 6.123 -24.172 79.094 1.00 0.00 O ATOM 405 OE2 GLU A 26 4.935 -24.596 77.348 1.00 0.00 O ATOM 0 H GLU A 26 4.363 -22.806 80.209 1.00 0.00 H new ATOM 0 HA GLU A 26 5.448 -20.756 80.267 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.969 -20.697 78.119 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.113 -22.046 79.228 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.219 -22.109 76.840 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.888 -22.630 76.718 1.00 0.00 H new ATOM 412 N ASP A 27 4.124 -18.908 79.276 1.00 0.00 N ATOM 413 CA ASP A 27 3.529 -17.686 78.661 1.00 0.00 C ATOM 414 C ASP A 27 4.064 -16.477 79.425 1.00 0.00 C ATOM 415 O ASP A 27 3.389 -15.483 79.596 1.00 0.00 O ATOM 416 CB ASP A 27 2.001 -17.733 78.784 1.00 0.00 C ATOM 417 CG ASP A 27 1.363 -17.036 77.579 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.380 -15.816 77.547 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.864 -17.733 76.712 1.00 0.00 O ATOM 0 H ASP A 27 4.156 -18.900 80.295 1.00 0.00 H new ATOM 0 HA ASP A 27 3.792 -17.624 77.605 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.663 -18.768 78.838 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.686 -17.246 79.707 1.00 0.00 H new ATOM 424 N VAL A 28 5.271 -16.576 79.908 1.00 0.00 N ATOM 425 CA VAL A 28 5.864 -15.457 80.690 1.00 0.00 C ATOM 426 C VAL A 28 6.539 -14.460 79.747 1.00 0.00 C ATOM 427 O VAL A 28 7.747 -14.393 79.642 1.00 0.00 O ATOM 428 CB VAL A 28 6.869 -16.033 81.688 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.128 -16.994 82.619 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.971 -16.803 80.953 1.00 0.00 C ATOM 0 H VAL A 28 5.875 -17.390 79.793 1.00 0.00 H new ATOM 0 HA VAL A 28 5.084 -14.926 81.235 1.00 0.00 H new ATOM 0 HB VAL A 28 7.325 -15.220 82.253 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.829 -17.416 83.339 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.344 -16.454 83.149 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.683 -17.798 82.033 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.678 -17.207 81.678 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.527 -17.621 80.385 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.493 -16.130 80.272 1.00 0.00 H new ATOM 440 N ASN A 29 5.748 -13.682 79.067 1.00 0.00 N ATOM 441 CA ASN A 29 6.286 -12.674 78.127 1.00 0.00 C ATOM 442 C ASN A 29 5.106 -11.899 77.537 1.00 0.00 C ATOM 443 O ASN A 29 5.158 -11.410 76.427 1.00 0.00 O ATOM 444 CB ASN A 29 7.058 -13.380 77.014 1.00 0.00 C ATOM 445 CG ASN A 29 6.367 -14.697 76.667 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.577 -15.747 77.412 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 5.626 -14.773 75.708 1.00 0.00 N flip ATOM 0 H ASN A 29 4.730 -13.706 79.127 1.00 0.00 H new ATOM 0 HA ASN A 29 6.962 -11.990 78.641 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.110 -12.742 76.132 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.083 -13.568 77.332 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.461 -13.953 75.125 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.169 -15.657 75.486 1.00 0.00 H new ATOM 454 N ARG A 30 4.034 -11.800 78.279 1.00 0.00 N ATOM 455 CA ARG A 30 2.828 -11.075 77.783 1.00 0.00 C ATOM 456 C ARG A 30 2.681 -9.743 78.523 1.00 0.00 C ATOM 457 O ARG A 30 2.493 -9.704 79.722 1.00 0.00 O ATOM 458 CB ARG A 30 1.588 -11.930 78.055 1.00 0.00 C ATOM 459 CG ARG A 30 1.778 -12.657 79.384 1.00 0.00 C ATOM 460 CD ARG A 30 0.526 -13.467 79.730 1.00 0.00 C ATOM 461 NE ARG A 30 0.877 -14.499 80.748 1.00 0.00 N ATOM 462 CZ ARG A 30 -0.063 -15.121 81.410 1.00 0.00 C ATOM 463 NH1 ARG A 30 -1.318 -14.842 81.186 1.00 0.00 N ATOM 464 NH2 ARG A 30 0.257 -16.022 82.298 1.00 0.00 N ATOM 0 H ARG A 30 3.942 -12.194 79.215 1.00 0.00 H new ATOM 0 HA ARG A 30 2.933 -10.887 76.714 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.697 -11.303 78.091 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.440 -12.648 77.249 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.642 -13.318 79.324 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.983 -11.936 80.175 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.253 -12.809 80.115 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.127 -13.943 78.834 1.00 0.00 H new ATOM 0 HE ARG A 30 1.856 -14.721 80.929 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.568 -14.137 80.493 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.049 -15.329 81.704 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.238 -16.239 82.474 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.474 -16.509 82.816 1.00 0.00 H new ATOM 478 N THR A 31 2.741 -8.655 77.815 1.00 0.00 N ATOM 479 CA THR A 31 2.578 -7.329 78.479 1.00 0.00 C ATOM 480 C THR A 31 1.234 -7.326 79.213 1.00 0.00 C ATOM 481 O THR A 31 0.189 -7.176 78.609 1.00 0.00 O ATOM 482 CB THR A 31 2.597 -6.222 77.418 1.00 0.00 C ATOM 483 OG1 THR A 31 3.660 -6.462 76.504 1.00 0.00 O ATOM 484 CG2 THR A 31 2.805 -4.866 78.094 1.00 0.00 C ATOM 0 H THR A 31 2.895 -8.622 76.807 1.00 0.00 H new ATOM 0 HA THR A 31 3.389 -7.152 79.185 1.00 0.00 H new ATOM 0 HB THR A 31 1.648 -6.218 76.882 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.672 -5.756 75.824 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.818 -4.081 77.338 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.992 -4.681 78.796 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.754 -4.869 78.631 1.00 0.00 H new ATOM 492 N LEU A 32 1.245 -7.525 80.506 1.00 0.00 N ATOM 493 CA LEU A 32 -0.048 -7.571 81.254 1.00 0.00 C ATOM 494 C LEU A 32 -0.627 -6.168 81.465 1.00 0.00 C ATOM 495 O LEU A 32 -1.817 -5.964 81.330 1.00 0.00 O ATOM 496 CB LEU A 32 0.083 -8.333 82.603 1.00 0.00 C ATOM 497 CG LEU A 32 1.205 -7.814 83.541 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.571 -7.831 82.853 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.897 -6.400 84.054 1.00 0.00 C ATOM 0 H LEU A 32 2.084 -7.656 81.072 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.749 -8.131 80.635 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.869 -8.273 83.131 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.265 -9.387 82.392 1.00 0.00 H new ATOM 0 HG LEU A 32 1.241 -8.494 84.392 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.330 -7.461 83.542 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.817 -8.851 82.557 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.541 -7.194 81.969 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.703 -6.067 84.708 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.810 -5.717 83.209 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.041 -6.411 84.610 1.00 0.00 H new ATOM 511 N GLU A 33 0.178 -5.198 81.786 1.00 0.00 N ATOM 512 CA GLU A 33 -0.375 -3.829 81.994 1.00 0.00 C ATOM 513 C GLU A 33 -0.536 -3.118 80.648 1.00 0.00 C ATOM 514 O GLU A 33 -1.617 -3.056 80.095 1.00 0.00 O ATOM 515 CB GLU A 33 0.565 -3.029 82.893 1.00 0.00 C ATOM 516 CG GLU A 33 0.059 -1.591 83.009 1.00 0.00 C ATOM 517 CD GLU A 33 0.803 -0.881 84.142 1.00 0.00 C ATOM 518 OE1 GLU A 33 1.646 -1.513 84.756 1.00 0.00 O ATOM 519 OE2 GLU A 33 0.515 0.280 84.376 1.00 0.00 O ATOM 0 H GLU A 33 1.186 -5.289 81.913 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.352 -3.907 82.471 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.619 -3.488 83.880 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.574 -3.039 82.482 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.215 -1.062 82.069 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.013 -1.586 83.204 1.00 0.00 H new ATOM 526 N GLY A 34 0.526 -2.577 80.115 1.00 0.00 N ATOM 527 CA GLY A 34 0.422 -1.871 78.807 1.00 0.00 C ATOM 528 C GLY A 34 1.814 -1.694 78.197 1.00 0.00 C ATOM 529 O GLY A 34 1.956 -1.380 77.032 1.00 0.00 O ATOM 0 H GLY A 34 1.459 -2.593 80.528 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.213 -2.439 78.127 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.050 -0.898 78.946 1.00 0.00 H new ATOM 533 N GLY A 35 2.840 -1.894 78.974 1.00 0.00 N ATOM 534 CA GLY A 35 4.222 -1.739 78.440 1.00 0.00 C ATOM 535 C GLY A 35 5.220 -2.367 79.411 1.00 0.00 C ATOM 536 O GLY A 35 6.390 -2.038 79.408 1.00 0.00 O ATOM 0 H GLY A 35 2.782 -2.159 79.957 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.301 -2.216 77.463 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.452 -0.683 78.299 1.00 0.00 H new ATOM 540 N ARG A 36 4.769 -3.265 80.247 1.00 0.00 N ATOM 541 CA ARG A 36 5.694 -3.912 81.225 1.00 0.00 C ATOM 542 C ARG A 36 5.631 -5.441 81.071 1.00 0.00 C ATOM 543 O ARG A 36 5.032 -5.955 80.152 1.00 0.00 O ATOM 544 CB ARG A 36 5.278 -3.501 82.643 1.00 0.00 C ATOM 545 CG ARG A 36 4.729 -2.067 82.611 1.00 0.00 C ATOM 546 CD ARG A 36 4.783 -1.441 84.012 1.00 0.00 C ATOM 547 NE ARG A 36 6.070 -0.706 84.183 1.00 0.00 N ATOM 548 CZ ARG A 36 6.202 0.169 85.146 1.00 0.00 C ATOM 549 NH1 ARG A 36 5.212 0.398 85.965 1.00 0.00 N ATOM 550 NH2 ARG A 36 7.326 0.819 85.287 1.00 0.00 N ATOM 0 H ARG A 36 3.800 -3.579 80.295 1.00 0.00 H new ATOM 0 HA ARG A 36 6.718 -3.590 81.039 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.520 -4.185 83.026 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.132 -3.562 83.318 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.310 -1.464 81.914 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.701 -2.072 82.248 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.943 -0.760 84.150 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.692 -2.217 84.772 1.00 0.00 H new ATOM 0 HE ARG A 36 6.848 -0.886 83.548 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.332 -0.106 85.855 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.318 1.081 86.715 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.100 0.644 84.646 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.430 1.502 86.038 1.00 0.00 H new ATOM 564 N LYS A 37 6.255 -6.165 81.966 1.00 0.00 N ATOM 565 CA LYS A 37 6.248 -7.662 81.889 1.00 0.00 C ATOM 566 C LYS A 37 5.907 -8.214 83.280 1.00 0.00 C ATOM 567 O LYS A 37 6.084 -7.519 84.259 1.00 0.00 O ATOM 568 CB LYS A 37 7.647 -8.145 81.484 1.00 0.00 C ATOM 569 CG LYS A 37 8.705 -7.228 82.113 1.00 0.00 C ATOM 570 CD LYS A 37 9.049 -6.084 81.152 1.00 0.00 C ATOM 571 CE LYS A 37 9.801 -4.988 81.907 1.00 0.00 C ATOM 572 NZ LYS A 37 10.344 -4.005 80.929 1.00 0.00 N ATOM 0 H LYS A 37 6.775 -5.781 82.755 1.00 0.00 H new ATOM 0 HA LYS A 37 5.516 -8.004 81.157 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.798 -9.173 81.814 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.745 -8.141 80.398 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.333 -6.823 83.054 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.603 -7.801 82.345 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.659 -6.458 80.330 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.138 -5.678 80.713 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.133 -4.489 82.609 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.611 -5.423 82.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.323 -3.765 81.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.327 -4.419 79.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.762 -3.143 80.943 1.00 0.00 H new ATOM 586 N PRO A 38 5.436 -9.439 83.354 1.00 0.00 N ATOM 587 CA PRO A 38 5.095 -10.039 84.656 1.00 0.00 C ATOM 588 C PRO A 38 6.382 -10.258 85.470 1.00 0.00 C ATOM 589 O PRO A 38 6.445 -11.104 86.344 1.00 0.00 O ATOM 590 CB PRO A 38 4.425 -11.377 84.307 1.00 0.00 C ATOM 591 CG PRO A 38 4.663 -11.630 82.795 1.00 0.00 C ATOM 592 CD PRO A 38 5.200 -10.319 82.186 1.00 0.00 C ATOM 0 HA PRO A 38 4.440 -9.411 85.259 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.848 -12.186 84.903 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.358 -11.342 84.528 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.376 -12.441 82.649 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.736 -11.929 82.305 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.119 -10.489 81.625 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.481 -9.878 81.495 1.00 0.00 H new ATOM 600 N LEU A 39 7.409 -9.496 85.178 1.00 0.00 N ATOM 601 CA LEU A 39 8.711 -9.632 85.910 1.00 0.00 C ATOM 602 C LEU A 39 9.015 -8.302 86.616 1.00 0.00 C ATOM 603 O LEU A 39 9.777 -8.245 87.559 1.00 0.00 O ATOM 604 CB LEU A 39 9.819 -9.944 84.881 1.00 0.00 C ATOM 605 CG LEU A 39 11.157 -10.384 85.533 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.943 -11.090 86.876 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.874 -11.349 84.575 1.00 0.00 C ATOM 0 H LEU A 39 7.401 -8.777 84.455 1.00 0.00 H new ATOM 0 HA LEU A 39 8.661 -10.433 86.648 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.473 -10.732 84.212 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.995 -9.060 84.268 1.00 0.00 H new ATOM 0 HG LEU A 39 11.752 -9.490 85.718 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.908 -11.379 87.293 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.437 -10.414 87.566 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.332 -11.980 86.726 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.817 -11.668 85.019 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.244 -12.220 84.397 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.070 -10.844 83.629 1.00 0.00 H new ATOM 619 N HIS A 40 8.417 -7.233 86.158 1.00 0.00 N ATOM 620 CA HIS A 40 8.659 -5.899 86.783 1.00 0.00 C ATOM 621 C HIS A 40 7.921 -5.820 88.124 1.00 0.00 C ATOM 622 O HIS A 40 8.500 -5.485 89.138 1.00 0.00 O ATOM 623 CB HIS A 40 8.139 -4.804 85.850 1.00 0.00 C ATOM 624 CG HIS A 40 8.562 -3.456 86.365 1.00 0.00 C ATOM 625 ND1 HIS A 40 8.379 -3.077 87.686 1.00 0.00 N ATOM 626 CD2 HIS A 40 9.157 -2.384 85.746 1.00 0.00 C ATOM 627 CE1 HIS A 40 8.855 -1.825 87.818 1.00 0.00 C ATOM 628 NE2 HIS A 40 9.340 -1.355 86.665 1.00 0.00 N ATOM 0 H HIS A 40 7.767 -7.227 85.372 1.00 0.00 H new ATOM 0 HA HIS A 40 9.727 -5.762 86.950 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.526 -4.957 84.843 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.052 -4.854 85.785 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.440 -2.345 84.704 1.00 0.00 H new ATOM 0 HE1 HIS A 40 8.846 -1.268 88.743 1.00 0.00 H new ATOM 0 HE2 HIS A 40 9.755 -0.439 86.495 1.00 0.00 H new ATOM 636 N TYR A 41 6.654 -6.138 88.144 1.00 0.00 N ATOM 637 CA TYR A 41 5.902 -6.091 89.430 1.00 0.00 C ATOM 638 C TYR A 41 6.451 -7.178 90.341 1.00 0.00 C ATOM 639 O TYR A 41 6.585 -7.007 91.537 1.00 0.00 O ATOM 640 CB TYR A 41 4.424 -6.368 89.176 1.00 0.00 C ATOM 641 CG TYR A 41 3.996 -5.659 87.923 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.255 -6.228 86.670 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.345 -4.427 88.013 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.860 -5.561 85.506 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.950 -3.762 86.850 1.00 0.00 C ATOM 646 CZ TYR A 41 3.208 -4.328 85.597 1.00 0.00 C ATOM 647 OH TYR A 41 2.818 -3.671 84.448 1.00 0.00 O ATOM 0 H TYR A 41 6.111 -6.426 87.330 1.00 0.00 H new ATOM 0 HA TYR A 41 6.012 -5.107 89.886 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.255 -7.440 89.077 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.827 -6.028 90.022 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.759 -7.181 86.603 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.147 -3.989 88.980 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.058 -5.998 84.538 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.445 -2.810 86.918 1.00 0.00 H new ATOM 0 HH TYR A 41 2.616 -2.736 84.659 1.00 0.00 H new ATOM 657 N ALA A 42 6.784 -8.297 89.765 1.00 0.00 N ATOM 658 CA ALA A 42 7.345 -9.413 90.559 1.00 0.00 C ATOM 659 C ALA A 42 8.698 -8.964 91.089 1.00 0.00 C ATOM 660 O ALA A 42 8.925 -8.884 92.275 1.00 0.00 O ATOM 661 CB ALA A 42 7.531 -10.623 89.644 1.00 0.00 C ATOM 0 H ALA A 42 6.689 -8.484 88.767 1.00 0.00 H new ATOM 0 HA ALA A 42 6.683 -9.683 91.382 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.944 -11.453 90.218 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.567 -10.915 89.226 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.214 -10.366 88.835 1.00 0.00 H new ATOM 667 N ALA A 43 9.591 -8.636 90.210 1.00 0.00 N ATOM 668 CA ALA A 43 10.920 -8.158 90.655 1.00 0.00 C ATOM 669 C ALA A 43 10.712 -7.036 91.677 1.00 0.00 C ATOM 670 O ALA A 43 11.162 -7.107 92.802 1.00 0.00 O ATOM 671 CB ALA A 43 11.667 -7.600 89.442 1.00 0.00 C ATOM 0 H ALA A 43 9.459 -8.678 89.199 1.00 0.00 H new ATOM 0 HA ALA A 43 11.492 -8.971 91.102 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.649 -7.243 89.752 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.785 -8.385 88.695 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.099 -6.774 89.014 1.00 0.00 H new ATOM 677 N ASP A 44 10.022 -6.005 91.278 1.00 0.00 N ATOM 678 CA ASP A 44 9.759 -4.848 92.182 1.00 0.00 C ATOM 679 C ASP A 44 9.146 -5.301 93.515 1.00 0.00 C ATOM 680 O ASP A 44 9.483 -4.790 94.564 1.00 0.00 O ATOM 681 CB ASP A 44 8.784 -3.904 91.480 1.00 0.00 C ATOM 682 CG ASP A 44 8.486 -2.705 92.379 1.00 0.00 C ATOM 683 OD1 ASP A 44 8.089 -2.923 93.512 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.655 -1.589 91.918 1.00 0.00 O ATOM 0 H ASP A 44 9.621 -5.913 90.345 1.00 0.00 H new ATOM 0 HA ASP A 44 10.704 -4.351 92.399 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.209 -3.565 90.535 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.860 -4.431 91.243 1.00 0.00 H new ATOM 689 N CYS A 45 8.238 -6.237 93.487 1.00 0.00 N ATOM 690 CA CYS A 45 7.595 -6.692 94.757 1.00 0.00 C ATOM 691 C CYS A 45 6.959 -8.056 94.529 1.00 0.00 C ATOM 692 O CYS A 45 5.754 -8.207 94.563 1.00 0.00 O ATOM 693 CB CYS A 45 6.497 -5.702 95.154 1.00 0.00 C ATOM 694 SG CYS A 45 7.246 -4.192 95.815 1.00 0.00 S ATOM 0 H CYS A 45 7.912 -6.707 92.642 1.00 0.00 H new ATOM 0 HA CYS A 45 8.346 -6.751 95.545 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.879 -5.464 94.289 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.842 -6.151 95.900 1.00 0.00 H new ATOM 0 HG CYS A 45 8.254 -3.846 95.070 1.00 0.00 H new ATOM 700 N GLY A 46 7.760 -9.049 94.285 1.00 0.00 N ATOM 701 CA GLY A 46 7.202 -10.414 94.039 1.00 0.00 C ATOM 702 C GLY A 46 7.593 -11.352 95.178 1.00 0.00 C ATOM 703 O GLY A 46 7.820 -12.528 94.968 1.00 0.00 O ATOM 0 H GLY A 46 8.777 -8.981 94.244 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.116 -10.362 93.956 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.576 -10.803 93.092 1.00 0.00 H new ATOM 707 N GLN A 47 7.697 -10.853 96.381 1.00 0.00 N ATOM 708 CA GLN A 47 8.104 -11.743 97.502 1.00 0.00 C ATOM 709 C GLN A 47 9.384 -12.461 97.060 1.00 0.00 C ATOM 710 O GLN A 47 9.815 -13.437 97.639 1.00 0.00 O ATOM 711 CB GLN A 47 6.980 -12.742 97.799 1.00 0.00 C ATOM 712 CG GLN A 47 5.923 -12.071 98.687 1.00 0.00 C ATOM 713 CD GLN A 47 5.595 -10.672 98.153 1.00 0.00 C ATOM 714 OE1 GLN A 47 4.533 -10.500 97.416 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 6.311 -9.725 98.417 1.00 0.00 N flip ATOM 0 H GLN A 47 7.520 -9.880 96.632 1.00 0.00 H new ATOM 0 HA GLN A 47 8.289 -11.180 98.417 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.526 -13.083 96.868 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.384 -13.623 98.298 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.019 -12.680 98.713 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.289 -12.001 99.711 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.142 -9.859 98.993 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.081 -8.797 98.062 1.00 0.00 H new ATOM 724 N LEU A 48 9.990 -11.926 96.030 1.00 0.00 N ATOM 725 CA LEU A 48 11.266 -12.466 95.472 1.00 0.00 C ATOM 726 C LEU A 48 11.114 -13.910 94.981 1.00 0.00 C ATOM 727 O LEU A 48 12.064 -14.520 94.532 1.00 0.00 O ATOM 728 CB LEU A 48 12.355 -12.408 96.539 1.00 0.00 C ATOM 729 CG LEU A 48 12.857 -10.964 96.780 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.188 -9.942 95.856 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.589 -10.560 98.231 1.00 0.00 C ATOM 0 H LEU A 48 9.638 -11.106 95.536 1.00 0.00 H new ATOM 0 HA LEU A 48 11.539 -11.849 94.616 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.970 -12.818 97.473 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.192 -13.037 96.236 1.00 0.00 H new ATOM 0 HG LEU A 48 13.925 -10.962 96.564 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.579 -8.947 96.070 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.398 -10.198 94.818 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.111 -9.952 96.022 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.944 -9.543 98.397 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.518 -10.608 98.430 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.114 -11.241 98.901 1.00 0.00 H new ATOM 743 N GLU A 49 9.941 -14.453 95.044 1.00 0.00 N ATOM 744 CA GLU A 49 9.728 -15.849 94.550 1.00 0.00 C ATOM 745 C GLU A 49 9.104 -15.788 93.159 1.00 0.00 C ATOM 746 O GLU A 49 9.399 -16.585 92.288 1.00 0.00 O ATOM 747 CB GLU A 49 8.783 -16.604 95.488 1.00 0.00 C ATOM 748 CG GLU A 49 7.706 -15.649 95.990 1.00 0.00 C ATOM 749 CD GLU A 49 6.689 -16.419 96.834 1.00 0.00 C ATOM 750 OE1 GLU A 49 5.925 -17.176 96.259 1.00 0.00 O ATOM 751 OE2 GLU A 49 6.691 -16.236 98.040 1.00 0.00 O ATOM 0 H GLU A 49 9.109 -13.995 95.417 1.00 0.00 H new ATOM 0 HA GLU A 49 10.686 -16.369 94.516 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.326 -17.444 94.964 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.340 -17.018 96.329 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.158 -14.854 96.583 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.207 -15.172 95.146 1.00 0.00 H new ATOM 758 N ILE A 50 8.222 -14.853 92.963 1.00 0.00 N ATOM 759 CA ILE A 50 7.536 -14.720 91.652 1.00 0.00 C ATOM 760 C ILE A 50 8.526 -14.374 90.545 1.00 0.00 C ATOM 761 O ILE A 50 8.403 -14.851 89.435 1.00 0.00 O ATOM 762 CB ILE A 50 6.482 -13.617 91.741 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.572 -13.890 92.963 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.688 -13.575 90.426 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.086 -13.756 92.620 1.00 0.00 C ATOM 0 H ILE A 50 7.944 -14.167 93.664 1.00 0.00 H new ATOM 0 HA ILE A 50 7.068 -15.675 91.413 1.00 0.00 H new ATOM 0 HB ILE A 50 6.947 -12.641 91.881 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.767 -14.893 93.342 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.823 -13.193 93.763 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.934 -12.790 90.481 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.366 -13.369 89.598 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.200 -14.536 90.265 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.488 -13.957 93.509 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.884 -12.745 92.267 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.827 -14.471 91.839 1.00 0.00 H new ATOM 777 N LEU A 51 9.489 -13.541 90.809 1.00 0.00 N ATOM 778 CA LEU A 51 10.432 -13.186 89.717 1.00 0.00 C ATOM 779 C LEU A 51 11.189 -14.434 89.239 1.00 0.00 C ATOM 780 O LEU A 51 11.121 -14.788 88.086 1.00 0.00 O ATOM 781 CB LEU A 51 11.434 -12.064 90.106 1.00 0.00 C ATOM 782 CG LEU A 51 11.628 -11.878 91.624 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.317 -11.485 92.320 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.200 -13.154 92.239 1.00 0.00 C ATOM 0 H LEU A 51 9.663 -13.099 91.712 1.00 0.00 H new ATOM 0 HA LEU A 51 9.825 -12.789 88.904 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.401 -12.285 89.653 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.089 -11.122 89.679 1.00 0.00 H new ATOM 0 HG LEU A 51 12.334 -11.061 91.774 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.495 -11.363 93.388 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.951 -10.546 91.904 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.573 -12.266 92.163 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.334 -13.013 93.312 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.513 -13.982 92.065 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.163 -13.379 91.780 1.00 0.00 H new ATOM 796 N GLU A 52 11.918 -15.105 90.089 1.00 0.00 N ATOM 797 CA GLU A 52 12.658 -16.310 89.612 1.00 0.00 C ATOM 798 C GLU A 52 11.676 -17.365 89.085 1.00 0.00 C ATOM 799 O GLU A 52 12.034 -18.197 88.274 1.00 0.00 O ATOM 800 CB GLU A 52 13.555 -16.915 90.709 1.00 0.00 C ATOM 801 CG GLU A 52 12.852 -16.934 92.066 1.00 0.00 C ATOM 802 CD GLU A 52 11.887 -18.124 92.135 1.00 0.00 C ATOM 803 OE1 GLU A 52 11.826 -18.872 91.173 1.00 0.00 O ATOM 804 OE2 GLU A 52 11.227 -18.267 93.151 1.00 0.00 O ATOM 0 H GLU A 52 12.033 -14.877 91.077 1.00 0.00 H new ATOM 0 HA GLU A 52 13.311 -15.988 88.800 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.836 -17.931 90.430 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.477 -16.338 90.785 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.589 -17.005 92.866 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.306 -16.002 92.216 1.00 0.00 H new ATOM 811 N PHE A 53 10.446 -17.356 89.535 1.00 0.00 N ATOM 812 CA PHE A 53 9.474 -18.381 89.046 1.00 0.00 C ATOM 813 C PHE A 53 9.283 -18.275 87.534 1.00 0.00 C ATOM 814 O PHE A 53 9.856 -19.021 86.770 1.00 0.00 O ATOM 815 CB PHE A 53 8.107 -18.185 89.699 1.00 0.00 C ATOM 816 CG PHE A 53 7.104 -19.058 88.973 1.00 0.00 C ATOM 817 CD1 PHE A 53 7.261 -20.449 88.980 1.00 0.00 C ATOM 818 CD2 PHE A 53 6.036 -18.479 88.274 1.00 0.00 C ATOM 819 CE1 PHE A 53 6.351 -21.261 88.293 1.00 0.00 C ATOM 820 CE2 PHE A 53 5.124 -19.292 87.589 1.00 0.00 C ATOM 821 CZ PHE A 53 5.283 -20.683 87.597 1.00 0.00 C ATOM 0 H PHE A 53 10.076 -16.690 90.213 1.00 0.00 H new ATOM 0 HA PHE A 53 9.883 -19.358 89.306 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.149 -18.452 90.755 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.808 -17.138 89.647 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.085 -20.896 89.516 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.916 -17.406 88.264 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.473 -22.334 88.300 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.298 -18.846 87.055 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.582 -21.310 87.066 1.00 0.00 H new ATOM 831 N LEU A 54 8.434 -17.384 87.105 1.00 0.00 N ATOM 832 CA LEU A 54 8.154 -17.257 85.654 1.00 0.00 C ATOM 833 C LEU A 54 9.439 -16.994 84.860 1.00 0.00 C ATOM 834 O LEU A 54 9.500 -17.246 83.673 1.00 0.00 O ATOM 835 CB LEU A 54 7.138 -16.128 85.417 1.00 0.00 C ATOM 836 CG LEU A 54 7.191 -15.078 86.529 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.617 -14.552 86.687 1.00 0.00 C ATOM 838 CD2 LEU A 54 6.263 -13.917 86.158 1.00 0.00 C ATOM 0 H LEU A 54 7.921 -16.736 87.703 1.00 0.00 H new ATOM 0 HA LEU A 54 7.734 -18.199 85.302 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.339 -15.652 84.457 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.134 -16.548 85.360 1.00 0.00 H new ATOM 0 HG LEU A 54 6.873 -15.530 87.469 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.644 -13.805 87.481 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.283 -15.377 86.942 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.943 -14.098 85.751 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.293 -13.162 86.944 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.592 -13.475 85.217 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.244 -14.287 86.048 1.00 0.00 H new ATOM 850 N LEU A 55 10.468 -16.514 85.493 1.00 0.00 N ATOM 851 CA LEU A 55 11.740 -16.266 84.751 1.00 0.00 C ATOM 852 C LEU A 55 12.391 -17.613 84.413 1.00 0.00 C ATOM 853 O LEU A 55 12.942 -17.795 83.347 1.00 0.00 O ATOM 854 CB LEU A 55 12.687 -15.432 85.623 1.00 0.00 C ATOM 855 CG LEU A 55 13.718 -14.691 84.760 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.617 -13.854 85.675 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.585 -15.691 83.986 1.00 0.00 C ATOM 0 H LEU A 55 10.488 -16.282 86.486 1.00 0.00 H new ATOM 0 HA LEU A 55 11.533 -15.721 83.830 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.112 -14.713 86.207 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.200 -16.081 86.333 1.00 0.00 H new ATOM 0 HG LEU A 55 13.195 -14.052 84.049 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.354 -13.322 85.073 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.009 -13.134 86.223 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.128 -14.509 86.380 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.311 -15.150 83.379 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.110 -16.338 84.689 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.951 -16.297 83.339 1.00 0.00 H new ATOM 869 N LEU A 56 12.327 -18.563 85.313 1.00 0.00 N ATOM 870 CA LEU A 56 12.942 -19.893 85.029 1.00 0.00 C ATOM 871 C LEU A 56 12.251 -20.514 83.815 1.00 0.00 C ATOM 872 O LEU A 56 12.876 -21.164 83.001 1.00 0.00 O ATOM 873 CB LEU A 56 12.868 -20.812 86.267 1.00 0.00 C ATOM 874 CG LEU A 56 11.526 -21.559 86.345 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.651 -22.921 85.650 1.00 0.00 C ATOM 876 CD2 LEU A 56 11.165 -21.791 87.816 1.00 0.00 C ATOM 0 H LEU A 56 11.879 -18.475 86.225 1.00 0.00 H new ATOM 0 HA LEU A 56 14.000 -19.765 84.799 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.684 -21.534 86.233 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.006 -20.217 87.170 1.00 0.00 H new ATOM 0 HG LEU A 56 10.755 -20.965 85.855 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.698 -23.447 85.707 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.921 -22.773 84.605 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.422 -23.512 86.144 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.214 -22.320 87.878 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.944 -22.387 88.292 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.080 -20.831 88.325 1.00 0.00 H new ATOM 888 N LYS A 57 10.976 -20.281 83.654 1.00 0.00 N ATOM 889 CA LYS A 57 10.286 -20.819 82.451 1.00 0.00 C ATOM 890 C LYS A 57 10.794 -19.993 81.265 1.00 0.00 C ATOM 891 O LYS A 57 11.935 -20.119 80.873 1.00 0.00 O ATOM 892 CB LYS A 57 8.758 -20.689 82.608 1.00 0.00 C ATOM 893 CG LYS A 57 8.193 -22.027 83.099 1.00 0.00 C ATOM 894 CD LYS A 57 6.777 -21.835 83.651 1.00 0.00 C ATOM 895 CE LYS A 57 6.221 -23.193 84.094 1.00 0.00 C ATOM 896 NZ LYS A 57 5.002 -22.992 84.930 1.00 0.00 N ATOM 0 H LYS A 57 10.390 -19.748 84.296 1.00 0.00 H new ATOM 0 HA LYS A 57 10.497 -21.878 82.304 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.518 -19.896 83.316 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.303 -20.415 81.656 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.177 -22.746 82.280 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.840 -22.441 83.873 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.793 -21.143 84.493 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.133 -21.396 82.889 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.979 -23.799 83.221 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.976 -23.738 84.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.816 -23.852 85.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.152 -22.190 85.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.188 -22.794 84.314 1.00 0.00 H new ATOM 910 N GLY A 58 10.004 -19.108 80.723 1.00 0.00 N ATOM 911 CA GLY A 58 10.525 -18.259 79.623 1.00 0.00 C ATOM 912 C GLY A 58 11.563 -17.331 80.251 1.00 0.00 C ATOM 913 O GLY A 58 12.321 -17.749 81.101 1.00 0.00 O ATOM 0 H GLY A 58 9.034 -18.939 80.991 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.973 -18.870 78.840 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.721 -17.686 79.160 1.00 0.00 H new ATOM 917 N ALA A 59 11.590 -16.077 79.897 1.00 0.00 N ATOM 918 CA ALA A 59 12.577 -15.167 80.549 1.00 0.00 C ATOM 919 C ALA A 59 12.488 -13.751 79.991 1.00 0.00 C ATOM 920 O ALA A 59 13.220 -13.372 79.100 1.00 0.00 O ATOM 921 CB ALA A 59 14.009 -15.687 80.364 1.00 0.00 C ATOM 0 H ALA A 59 10.984 -15.647 79.198 1.00 0.00 H new ATOM 0 HA ALA A 59 12.332 -15.144 81.611 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.709 -15.006 80.848 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.097 -16.677 80.812 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.239 -15.748 79.300 1.00 0.00 H new ATOM 927 N ASP A 60 11.638 -12.944 80.558 1.00 0.00 N ATOM 928 CA ASP A 60 11.559 -11.536 80.116 1.00 0.00 C ATOM 929 C ASP A 60 12.782 -10.847 80.719 1.00 0.00 C ATOM 930 O ASP A 60 12.952 -9.646 80.654 1.00 0.00 O ATOM 931 CB ASP A 60 10.269 -10.903 80.641 1.00 0.00 C ATOM 932 CG ASP A 60 10.025 -9.573 79.930 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.619 -8.590 80.338 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.247 -9.561 78.990 1.00 0.00 O ATOM 0 H ASP A 60 10.997 -13.203 81.308 1.00 0.00 H new ATOM 0 HA ASP A 60 11.548 -11.444 79.030 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.428 -11.576 80.474 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.342 -10.744 81.717 1.00 0.00 H new ATOM 939 N ILE A 61 13.629 -11.645 81.322 1.00 0.00 N ATOM 940 CA ILE A 61 14.866 -11.131 81.969 1.00 0.00 C ATOM 941 C ILE A 61 15.674 -10.324 80.968 1.00 0.00 C ATOM 942 O ILE A 61 16.380 -9.400 81.316 1.00 0.00 O ATOM 943 CB ILE A 61 15.705 -12.321 82.430 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.803 -11.831 83.375 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.346 -12.991 81.209 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.795 -12.964 83.650 1.00 0.00 C ATOM 0 H ILE A 61 13.507 -12.655 81.392 1.00 0.00 H new ATOM 0 HA ILE A 61 14.599 -10.498 82.815 1.00 0.00 H new ATOM 0 HB ILE A 61 15.070 -13.038 82.950 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.322 -10.980 82.934 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.363 -11.486 84.311 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.946 -13.841 81.534 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.565 -13.336 80.531 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.983 -12.273 80.693 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.575 -12.609 84.324 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.272 -13.802 84.110 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.246 -13.289 82.712 1.00 0.00 H new ATOM 958 N ASN A 62 15.587 -10.687 79.727 1.00 0.00 N ATOM 959 CA ASN A 62 16.360 -9.972 78.681 1.00 0.00 C ATOM 960 C ASN A 62 15.440 -9.638 77.500 1.00 0.00 C ATOM 961 O ASN A 62 15.535 -8.586 76.903 1.00 0.00 O ATOM 962 CB ASN A 62 17.527 -10.864 78.226 1.00 0.00 C ATOM 963 CG ASN A 62 17.011 -12.253 77.817 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.781 -12.596 78.091 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.744 -13.035 77.244 1.00 0.00 N flip ATOM 0 H ASN A 62 15.009 -11.455 79.387 1.00 0.00 H new ATOM 0 HA ASN A 62 16.760 -9.040 79.080 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.043 -10.399 77.386 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.254 -10.962 79.032 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.705 -12.769 77.029 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.398 -13.957 76.978 1.00 0.00 H new ATOM 972 N ALA A 63 14.554 -10.534 77.174 1.00 0.00 N ATOM 973 CA ALA A 63 13.594 -10.324 76.035 1.00 0.00 C ATOM 974 C ALA A 63 13.353 -8.829 75.696 1.00 0.00 C ATOM 975 O ALA A 63 13.525 -8.443 74.557 1.00 0.00 O ATOM 976 CB ALA A 63 12.274 -11.001 76.374 1.00 0.00 C ATOM 0 H ALA A 63 14.446 -11.427 77.655 1.00 0.00 H new ATOM 0 HA ALA A 63 14.043 -10.766 75.146 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.570 -10.855 75.555 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.440 -12.068 76.524 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.865 -10.565 77.286 1.00 0.00 H new ATOM 982 N PRO A 64 12.967 -8.027 76.670 1.00 0.00 N ATOM 983 CA PRO A 64 12.705 -6.590 76.495 1.00 0.00 C ATOM 984 C PRO A 64 13.243 -6.001 75.186 1.00 0.00 C ATOM 985 O PRO A 64 14.356 -6.247 74.764 1.00 0.00 O ATOM 986 CB PRO A 64 13.366 -6.020 77.743 1.00 0.00 C ATOM 987 CG PRO A 64 13.240 -7.145 78.820 1.00 0.00 C ATOM 988 CD PRO A 64 12.784 -8.418 78.071 1.00 0.00 C ATOM 0 HA PRO A 64 11.646 -6.350 76.402 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.410 -5.768 77.556 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.871 -5.105 78.069 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.193 -7.310 79.322 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.519 -6.868 79.589 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.388 -9.286 78.335 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.747 -8.673 78.292 1.00 0.00 H new ATOM 996 N ASP A 65 12.403 -5.213 74.554 1.00 0.00 N ATOM 997 CA ASP A 65 12.742 -4.547 73.261 1.00 0.00 C ATOM 998 C ASP A 65 12.129 -3.141 73.278 1.00 0.00 C ATOM 999 O ASP A 65 12.777 -2.159 72.973 1.00 0.00 O ATOM 1000 CB ASP A 65 12.131 -5.347 72.110 1.00 0.00 C ATOM 1001 CG ASP A 65 12.954 -6.614 71.877 1.00 0.00 C ATOM 1002 OD1 ASP A 65 14.062 -6.494 71.386 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.459 -7.685 72.194 1.00 0.00 O ATOM 0 H ASP A 65 11.466 -5.000 74.896 1.00 0.00 H new ATOM 0 HA ASP A 65 13.823 -4.492 73.130 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.099 -5.609 72.343 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.110 -4.742 71.203 1.00 0.00 H new ATOM 1008 N LYS A 66 10.877 -3.050 73.646 1.00 0.00 N ATOM 1009 CA LYS A 66 10.185 -1.737 73.711 1.00 0.00 C ATOM 1010 C LYS A 66 10.469 -1.105 75.075 1.00 0.00 C ATOM 1011 O LYS A 66 10.484 0.098 75.234 1.00 0.00 O ATOM 1012 CB LYS A 66 8.684 -1.984 73.554 1.00 0.00 C ATOM 1013 CG LYS A 66 7.980 -0.703 73.116 1.00 0.00 C ATOM 1014 CD LYS A 66 7.920 0.297 74.281 1.00 0.00 C ATOM 1015 CE LYS A 66 6.583 1.045 74.255 1.00 0.00 C ATOM 1016 NZ LYS A 66 5.479 0.118 74.639 1.00 0.00 N ATOM 0 H LYS A 66 10.298 -3.848 73.908 1.00 0.00 H new ATOM 0 HA LYS A 66 10.534 -1.069 72.924 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.513 -2.771 72.819 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.265 -2.333 74.498 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.510 -0.259 72.273 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.971 -0.933 72.773 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.035 -0.228 75.229 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.745 1.006 74.207 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.615 1.891 74.942 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.401 1.449 73.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.699 0.662 75.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.136 -0.383 73.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.831 -0.573 75.332 1.00 0.00 H new ATOM 1030 N HIS A 67 10.708 -1.928 76.055 1.00 0.00 N ATOM 1031 CA HIS A 67 11.010 -1.429 77.422 1.00 0.00 C ATOM 1032 C HIS A 67 12.470 -0.993 77.481 1.00 0.00 C ATOM 1033 O HIS A 67 12.931 -0.455 78.468 1.00 0.00 O ATOM 1034 CB HIS A 67 10.774 -2.571 78.409 1.00 0.00 C ATOM 1035 CG HIS A 67 9.513 -3.300 78.035 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.254 -4.593 78.460 1.00 0.00 N ATOM 1037 CD2 HIS A 67 8.430 -2.930 77.277 1.00 0.00 C ATOM 1038 CE1 HIS A 67 8.058 -4.953 77.958 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.512 -3.975 77.229 1.00 0.00 N ATOM 0 H HIS A 67 10.707 -2.944 75.964 1.00 0.00 H new ATOM 0 HA HIS A 67 10.372 -0.581 77.672 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.621 -3.257 78.398 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.694 -2.180 79.423 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.309 -1.973 76.791 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.596 -5.915 78.124 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.616 -3.991 76.742 1.00 0.00 H new ATOM 1047 N HIS A 68 13.197 -1.218 76.422 1.00 0.00 N ATOM 1048 CA HIS A 68 14.632 -0.824 76.391 1.00 0.00 C ATOM 1049 C HIS A 68 15.286 -1.095 77.745 1.00 0.00 C ATOM 1050 O HIS A 68 16.298 -0.514 78.078 1.00 0.00 O ATOM 1051 CB HIS A 68 14.752 0.664 76.052 1.00 0.00 C ATOM 1052 CG HIS A 68 14.037 1.481 77.092 1.00 0.00 C ATOM 1053 ND1 HIS A 68 12.710 1.854 76.953 1.00 0.00 N ATOM 1054 CD2 HIS A 68 14.453 2.009 78.289 1.00 0.00 C ATOM 1055 CE1 HIS A 68 12.377 2.576 78.040 1.00 0.00 C ATOM 1056 NE2 HIS A 68 13.403 2.700 78.887 1.00 0.00 N ATOM 0 H HIS A 68 12.855 -1.662 75.570 1.00 0.00 H new ATOM 0 HA HIS A 68 15.141 -1.413 75.628 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.802 0.953 76.008 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.326 0.858 75.068 1.00 0.00 H new ATOM 0 HD2 HIS A 68 15.445 1.904 78.704 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.399 3.003 78.207 1.00 0.00 H new ATOM 0 HE2 HIS A 68 13.414 3.194 79.779 1.00 0.00 H new ATOM 1064 N ILE A 69 14.731 -1.979 78.530 1.00 0.00 N ATOM 1065 CA ILE A 69 15.358 -2.269 79.844 1.00 0.00 C ATOM 1066 C ILE A 69 15.009 -3.679 80.307 1.00 0.00 C ATOM 1067 O ILE A 69 14.001 -4.253 79.954 1.00 0.00 O ATOM 1068 CB ILE A 69 14.903 -1.240 80.895 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.134 -0.632 81.572 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.011 -1.894 81.960 1.00 0.00 C ATOM 1071 CD1 ILE A 69 16.938 -1.716 82.308 1.00 0.00 C ATOM 0 H ILE A 69 13.883 -2.505 78.320 1.00 0.00 H new ATOM 0 HA ILE A 69 16.440 -2.199 79.728 1.00 0.00 H new ATOM 0 HB ILE A 69 14.326 -0.465 80.391 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.764 -0.148 80.826 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.824 0.140 82.277 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.705 -1.144 82.689 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.127 -2.319 81.484 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.567 -2.684 82.465 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.809 -1.264 82.783 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.311 -2.181 83.069 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.265 -2.473 81.595 1.00 0.00 H new ATOM 1083 N THR A 70 15.865 -4.217 81.122 1.00 0.00 N ATOM 1084 CA THR A 70 15.661 -5.564 81.679 1.00 0.00 C ATOM 1085 C THR A 70 15.254 -5.373 83.148 1.00 0.00 C ATOM 1086 O THR A 70 15.446 -4.308 83.696 1.00 0.00 O ATOM 1087 CB THR A 70 16.965 -6.338 81.527 1.00 0.00 C ATOM 1088 OG1 THR A 70 17.070 -7.322 82.541 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.130 -5.350 81.609 1.00 0.00 C ATOM 0 H THR A 70 16.723 -3.759 81.431 1.00 0.00 H new ATOM 0 HA THR A 70 14.883 -6.131 81.169 1.00 0.00 H new ATOM 0 HB THR A 70 16.987 -6.847 80.563 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.184 -8.204 82.130 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.072 -5.888 81.502 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.040 -4.614 80.810 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.110 -4.843 82.574 1.00 0.00 H new ATOM 1097 N PRO A 71 14.635 -6.360 83.727 1.00 0.00 N ATOM 1098 CA PRO A 71 14.117 -6.250 85.104 1.00 0.00 C ATOM 1099 C PRO A 71 15.208 -6.191 86.194 1.00 0.00 C ATOM 1100 O PRO A 71 14.915 -5.804 87.307 1.00 0.00 O ATOM 1101 CB PRO A 71 13.224 -7.496 85.259 1.00 0.00 C ATOM 1102 CG PRO A 71 13.128 -8.140 83.853 1.00 0.00 C ATOM 1103 CD PRO A 71 14.366 -7.660 83.095 1.00 0.00 C ATOM 0 HA PRO A 71 13.584 -5.309 85.245 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.652 -8.194 85.978 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.236 -7.223 85.630 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.107 -9.228 83.921 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.214 -7.835 83.344 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.204 -8.348 83.207 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.176 -7.561 82.026 1.00 0.00 H new ATOM 1111 N LEU A 72 16.443 -6.559 85.951 1.00 0.00 N ATOM 1112 CA LEU A 72 17.410 -6.464 87.087 1.00 0.00 C ATOM 1113 C LEU A 72 17.414 -5.026 87.612 1.00 0.00 C ATOM 1114 O LEU A 72 17.465 -4.798 88.802 1.00 0.00 O ATOM 1115 CB LEU A 72 18.871 -6.852 86.725 1.00 0.00 C ATOM 1116 CG LEU A 72 19.014 -7.723 85.463 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.953 -8.829 85.408 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.949 -6.847 84.211 1.00 0.00 C ATOM 0 H LEU A 72 16.810 -6.904 85.064 1.00 0.00 H new ATOM 0 HA LEU A 72 17.071 -7.183 87.833 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.451 -5.939 86.587 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.310 -7.384 87.569 1.00 0.00 H new ATOM 0 HG LEU A 72 19.987 -8.213 85.504 1.00 0.00 H new ATOM 0 HD11 LEU A 72 18.090 -9.420 84.502 1.00 0.00 H new ATOM 0 HD12 LEU A 72 18.054 -9.474 86.281 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.960 -8.380 85.402 1.00 0.00 H new ATOM 0 HD21 LEU A 72 19.051 -7.472 83.324 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.992 -6.327 84.180 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.758 -6.117 84.235 1.00 0.00 H new ATOM 1130 N LEU A 73 17.358 -4.050 86.743 1.00 0.00 N ATOM 1131 CA LEU A 73 17.359 -2.642 87.233 1.00 0.00 C ATOM 1132 C LEU A 73 16.011 -2.330 87.875 1.00 0.00 C ATOM 1133 O LEU A 73 15.891 -1.448 88.698 1.00 0.00 O ATOM 1134 CB LEU A 73 17.647 -1.674 86.089 1.00 0.00 C ATOM 1135 CG LEU A 73 18.964 -2.084 85.423 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.702 -3.161 84.363 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.611 -0.865 84.765 1.00 0.00 C ATOM 0 H LEU A 73 17.312 -4.165 85.731 1.00 0.00 H new ATOM 0 HA LEU A 73 18.146 -2.523 87.977 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.834 -1.693 85.363 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.715 -0.653 86.465 1.00 0.00 H new ATOM 0 HG LEU A 73 19.636 -2.485 86.182 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.644 -3.447 83.894 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.252 -4.034 84.835 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.024 -2.768 83.605 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.548 -1.161 84.292 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.937 -0.458 84.011 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.810 -0.106 85.522 1.00 0.00 H new ATOM 1149 N SER A 74 14.994 -3.059 87.527 1.00 0.00 N ATOM 1150 CA SER A 74 13.680 -2.803 88.152 1.00 0.00 C ATOM 1151 C SER A 74 13.823 -2.944 89.676 1.00 0.00 C ATOM 1152 O SER A 74 13.386 -2.100 90.440 1.00 0.00 O ATOM 1153 CB SER A 74 12.658 -3.806 87.617 1.00 0.00 C ATOM 1154 OG SER A 74 11.377 -3.505 88.150 1.00 0.00 O ATOM 0 H SER A 74 15.017 -3.815 86.842 1.00 0.00 H new ATOM 0 HA SER A 74 13.337 -1.796 87.913 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.629 -3.767 86.528 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.949 -4.820 87.892 1.00 0.00 H new ATOM 0 HG SER A 74 10.853 -4.330 88.228 1.00 0.00 H new ATOM 1160 N ALA A 75 14.450 -4.000 90.124 1.00 0.00 N ATOM 1161 CA ALA A 75 14.633 -4.195 91.597 1.00 0.00 C ATOM 1162 C ALA A 75 15.674 -3.200 92.133 1.00 0.00 C ATOM 1163 O ALA A 75 15.587 -2.735 93.254 1.00 0.00 O ATOM 1164 CB ALA A 75 15.098 -5.628 91.867 1.00 0.00 C ATOM 0 H ALA A 75 14.843 -4.736 89.537 1.00 0.00 H new ATOM 0 HA ALA A 75 13.684 -4.020 92.104 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.232 -5.771 92.939 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.349 -6.329 91.498 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.045 -5.806 91.357 1.00 0.00 H new ATOM 1170 N VAL A 76 16.657 -2.879 91.336 1.00 0.00 N ATOM 1171 CA VAL A 76 17.719 -1.925 91.769 1.00 0.00 C ATOM 1172 C VAL A 76 17.085 -0.740 92.510 1.00 0.00 C ATOM 1173 O VAL A 76 17.223 -0.608 93.710 1.00 0.00 O ATOM 1174 CB VAL A 76 18.479 -1.468 90.512 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.244 -0.157 90.751 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.468 -2.574 90.118 1.00 0.00 C ATOM 0 H VAL A 76 16.771 -3.242 90.390 1.00 0.00 H new ATOM 0 HA VAL A 76 18.416 -2.400 92.459 1.00 0.00 H new ATOM 0 HB VAL A 76 17.758 -1.285 89.715 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.767 0.131 89.839 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.542 0.629 91.030 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.967 -0.299 91.554 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.018 -2.270 89.228 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.168 -2.745 90.936 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.921 -3.494 89.910 1.00 0.00 H new ATOM 1186 N TYR A 77 16.390 0.116 91.820 1.00 0.00 N ATOM 1187 CA TYR A 77 15.752 1.270 92.513 1.00 0.00 C ATOM 1188 C TYR A 77 14.522 0.778 93.289 1.00 0.00 C ATOM 1189 O TYR A 77 13.450 1.344 93.191 1.00 0.00 O ATOM 1190 CB TYR A 77 15.319 2.324 91.480 1.00 0.00 C ATOM 1191 CG TYR A 77 16.060 2.130 90.171 1.00 0.00 C ATOM 1192 CD1 TYR A 77 15.582 1.216 89.219 1.00 0.00 C ATOM 1193 CD2 TYR A 77 17.211 2.882 89.896 1.00 0.00 C ATOM 1194 CE1 TYR A 77 16.253 1.057 87.998 1.00 0.00 C ATOM 1195 CE2 TYR A 77 17.882 2.718 88.676 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.403 1.807 87.727 1.00 0.00 C ATOM 1197 OH TYR A 77 18.065 1.648 86.523 1.00 0.00 O ATOM 0 H TYR A 77 16.235 0.069 90.813 1.00 0.00 H new ATOM 0 HA TYR A 77 16.467 1.718 93.203 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.245 2.253 91.309 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.514 3.323 91.869 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.696 0.634 89.427 1.00 0.00 H new ATOM 0 HD2 TYR A 77 17.581 3.588 90.625 1.00 0.00 H new ATOM 0 HE1 TYR A 77 15.882 0.355 87.266 1.00 0.00 H new ATOM 0 HE2 TYR A 77 18.770 3.296 88.468 1.00 0.00 H new ATOM 0 HH TYR A 77 18.221 2.526 86.117 1.00 0.00 H new ATOM 1207 N GLU A 78 14.662 -0.276 94.055 1.00 0.00 N ATOM 1208 CA GLU A 78 13.489 -0.800 94.826 1.00 0.00 C ATOM 1209 C GLU A 78 13.862 -1.016 96.296 1.00 0.00 C ATOM 1210 O GLU A 78 13.029 -0.926 97.174 1.00 0.00 O ATOM 1211 CB GLU A 78 13.054 -2.148 94.240 1.00 0.00 C ATOM 1212 CG GLU A 78 11.595 -2.415 94.603 1.00 0.00 C ATOM 1213 CD GLU A 78 10.700 -1.529 93.740 1.00 0.00 C ATOM 1214 OE1 GLU A 78 11.097 -1.235 92.625 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.637 -1.159 94.207 1.00 0.00 O ATOM 0 H GLU A 78 15.532 -0.794 94.180 1.00 0.00 H new ATOM 0 HA GLU A 78 12.682 -0.071 94.758 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.175 -2.141 93.157 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.688 -2.946 94.627 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.353 -3.466 94.442 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.425 -2.207 95.659 1.00 0.00 H new ATOM 1222 N GLY A 79 15.092 -1.345 96.569 1.00 0.00 N ATOM 1223 CA GLY A 79 15.482 -1.617 97.980 1.00 0.00 C ATOM 1224 C GLY A 79 15.289 -3.113 98.221 1.00 0.00 C ATOM 1225 O GLY A 79 15.626 -3.642 99.259 1.00 0.00 O ATOM 0 H GLY A 79 15.840 -1.437 95.882 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.519 -1.330 98.155 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.869 -1.034 98.668 1.00 0.00 H new ATOM 1229 N HIS A 80 14.756 -3.797 97.241 1.00 0.00 N ATOM 1230 CA HIS A 80 14.550 -5.261 97.382 1.00 0.00 C ATOM 1231 C HIS A 80 15.903 -5.925 97.179 1.00 0.00 C ATOM 1232 O HIS A 80 16.402 -6.616 98.043 1.00 0.00 O ATOM 1233 CB HIS A 80 13.558 -5.739 96.310 1.00 0.00 C ATOM 1234 CG HIS A 80 12.154 -5.668 96.855 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.318 -6.773 96.907 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.435 -4.632 97.395 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.159 -6.384 97.464 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.177 -5.086 97.781 1.00 0.00 N ATOM 0 H HIS A 80 14.456 -3.400 96.350 1.00 0.00 H new ATOM 0 HA HIS A 80 14.145 -5.513 98.362 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.645 -5.119 95.417 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.793 -6.761 96.012 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.791 -3.618 97.504 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.317 -7.039 97.634 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.429 -4.544 98.213 1.00 0.00 H new ATOM 1246 N VAL A 81 16.507 -5.680 96.047 1.00 0.00 N ATOM 1247 CA VAL A 81 17.854 -6.244 95.746 1.00 0.00 C ATOM 1248 C VAL A 81 18.025 -7.646 96.350 1.00 0.00 C ATOM 1249 O VAL A 81 19.106 -8.207 96.360 1.00 0.00 O ATOM 1250 CB VAL A 81 18.923 -5.256 96.238 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.167 -4.210 95.137 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.417 -4.531 97.494 1.00 0.00 C ATOM 0 H VAL A 81 16.115 -5.101 95.304 1.00 0.00 H new ATOM 0 HA VAL A 81 17.967 -6.372 94.669 1.00 0.00 H new ATOM 0 HB VAL A 81 19.841 -5.796 96.469 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.924 -3.500 95.471 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.511 -4.709 94.231 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.239 -3.679 94.928 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.177 -3.831 97.841 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.503 -3.986 97.256 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.211 -5.261 98.277 1.00 0.00 H new ATOM 1262 N SER A 82 16.947 -8.244 96.766 1.00 0.00 N ATOM 1263 CA SER A 82 17.006 -9.639 97.267 1.00 0.00 C ATOM 1264 C SER A 82 16.879 -10.503 96.024 1.00 0.00 C ATOM 1265 O SER A 82 17.346 -11.625 95.953 1.00 0.00 O ATOM 1266 CB SER A 82 15.840 -9.902 98.228 1.00 0.00 C ATOM 1267 OG SER A 82 15.563 -11.296 98.271 1.00 0.00 O ATOM 0 H SER A 82 16.019 -7.820 96.780 1.00 0.00 H new ATOM 0 HA SER A 82 17.924 -9.847 97.817 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.089 -9.539 99.225 1.00 0.00 H new ATOM 0 HB3 SER A 82 14.956 -9.355 97.901 1.00 0.00 H new ATOM 0 HG SER A 82 15.363 -11.561 99.193 1.00 0.00 H new ATOM 1273 N CYS A 83 16.254 -9.934 95.027 1.00 0.00 N ATOM 1274 CA CYS A 83 16.067 -10.623 93.727 1.00 0.00 C ATOM 1275 C CYS A 83 17.328 -10.420 92.885 1.00 0.00 C ATOM 1276 O CYS A 83 17.905 -11.365 92.389 1.00 0.00 O ATOM 1277 CB CYS A 83 14.861 -10.009 93.010 1.00 0.00 C ATOM 1278 SG CYS A 83 14.614 -8.308 93.586 1.00 0.00 S ATOM 0 H CYS A 83 15.857 -8.995 95.066 1.00 0.00 H new ATOM 0 HA CYS A 83 15.893 -11.688 93.879 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.022 -10.019 91.932 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.968 -10.603 93.205 1.00 0.00 H new ATOM 0 HG CYS A 83 13.592 -7.787 92.975 1.00 0.00 H new ATOM 1284 N VAL A 84 17.770 -9.193 92.734 1.00 0.00 N ATOM 1285 CA VAL A 84 19.010 -8.944 91.938 1.00 0.00 C ATOM 1286 C VAL A 84 20.011 -10.047 92.263 1.00 0.00 C ATOM 1287 O VAL A 84 20.706 -10.553 91.408 1.00 0.00 O ATOM 1288 CB VAL A 84 19.626 -7.600 92.330 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.603 -6.473 92.157 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.080 -7.667 93.790 1.00 0.00 C ATOM 0 H VAL A 84 17.328 -8.361 93.125 1.00 0.00 H new ATOM 0 HA VAL A 84 18.767 -8.932 90.876 1.00 0.00 H new ATOM 0 HB VAL A 84 20.480 -7.394 91.685 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.057 -5.523 92.440 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.285 -6.427 91.115 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.738 -6.666 92.792 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.521 -6.713 94.078 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.222 -7.878 94.428 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.821 -8.458 93.905 1.00 0.00 H new ATOM 1300 N LYS A 85 20.076 -10.416 93.512 1.00 0.00 N ATOM 1301 CA LYS A 85 21.011 -11.481 93.947 1.00 0.00 C ATOM 1302 C LYS A 85 20.651 -12.803 93.245 1.00 0.00 C ATOM 1303 O LYS A 85 21.388 -13.304 92.415 1.00 0.00 O ATOM 1304 CB LYS A 85 20.872 -11.647 95.468 1.00 0.00 C ATOM 1305 CG LYS A 85 21.689 -10.571 96.196 1.00 0.00 C ATOM 1306 CD LYS A 85 21.955 -11.017 97.639 1.00 0.00 C ATOM 1307 CE LYS A 85 23.057 -12.086 97.665 1.00 0.00 C ATOM 1308 NZ LYS A 85 22.562 -13.289 98.392 1.00 0.00 N ATOM 0 H LYS A 85 19.509 -10.015 94.259 1.00 0.00 H new ATOM 0 HA LYS A 85 22.036 -11.214 93.689 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.823 -11.573 95.755 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.215 -12.638 95.766 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.632 -10.403 95.677 1.00 0.00 H new ATOM 0 HG3 LYS A 85 21.149 -9.624 96.191 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.254 -10.161 98.244 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.041 -11.415 98.080 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.343 -12.354 96.648 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.949 -11.693 98.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.307 -14.014 98.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.310 -13.027 99.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 21.723 -13.667 97.907 1.00 0.00 H new ATOM 1322 N LEU A 86 19.520 -13.363 93.584 1.00 0.00 N ATOM 1323 CA LEU A 86 19.068 -14.650 92.975 1.00 0.00 C ATOM 1324 C LEU A 86 18.876 -14.471 91.459 1.00 0.00 C ATOM 1325 O LEU A 86 18.614 -15.409 90.736 1.00 0.00 O ATOM 1326 CB LEU A 86 17.777 -15.060 93.729 1.00 0.00 C ATOM 1327 CG LEU A 86 16.599 -15.435 92.818 1.00 0.00 C ATOM 1328 CD1 LEU A 86 16.210 -14.273 91.895 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.924 -16.691 91.997 1.00 0.00 C ATOM 0 H LEU A 86 18.876 -12.974 94.273 1.00 0.00 H new ATOM 0 HA LEU A 86 19.802 -15.449 93.077 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.003 -15.907 94.376 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.472 -14.237 94.376 1.00 0.00 H new ATOM 0 HG LEU A 86 15.744 -15.651 93.458 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.373 -14.574 91.264 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.920 -13.412 92.497 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.060 -14.007 91.267 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.076 -16.938 91.359 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.801 -16.504 91.378 1.00 0.00 H new ATOM 0 HD23 LEU A 86 17.126 -17.524 92.671 1.00 0.00 H new ATOM 1341 N LEU A 87 19.019 -13.269 90.970 1.00 0.00 N ATOM 1342 CA LEU A 87 18.846 -13.024 89.502 1.00 0.00 C ATOM 1343 C LEU A 87 20.111 -13.411 88.717 1.00 0.00 C ATOM 1344 O LEU A 87 20.134 -14.413 88.030 1.00 0.00 O ATOM 1345 CB LEU A 87 18.561 -11.535 89.274 1.00 0.00 C ATOM 1346 CG LEU A 87 17.226 -11.367 88.552 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.889 -9.881 88.450 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.316 -11.969 87.142 1.00 0.00 C ATOM 0 H LEU A 87 19.249 -12.442 91.522 1.00 0.00 H new ATOM 0 HA LEU A 87 18.017 -13.637 89.148 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.537 -11.010 90.229 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.362 -11.088 88.685 1.00 0.00 H new ATOM 0 HG LEU A 87 16.446 -11.883 89.113 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.936 -9.759 87.935 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.818 -9.455 89.451 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.672 -9.368 87.892 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.360 -11.846 86.632 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.097 -11.459 86.578 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.555 -13.030 87.214 1.00 0.00 H new ATOM 1360 N LEU A 88 21.151 -12.605 88.776 1.00 0.00 N ATOM 1361 CA LEU A 88 22.380 -12.927 87.991 1.00 0.00 C ATOM 1362 C LEU A 88 22.857 -14.337 88.315 1.00 0.00 C ATOM 1363 O LEU A 88 23.687 -14.899 87.630 1.00 0.00 O ATOM 1364 CB LEU A 88 23.493 -11.888 88.235 1.00 0.00 C ATOM 1365 CG LEU A 88 24.261 -12.120 89.552 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.294 -12.342 90.714 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.208 -13.326 89.424 1.00 0.00 C ATOM 0 H LEU A 88 21.197 -11.749 89.329 1.00 0.00 H new ATOM 0 HA LEU A 88 22.129 -12.884 86.931 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.196 -11.915 87.402 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.054 -10.891 88.249 1.00 0.00 H new ATOM 0 HG LEU A 88 24.852 -11.227 89.755 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.859 -12.503 91.632 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.657 -11.465 90.830 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.675 -13.216 90.511 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.740 -13.472 90.364 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.629 -14.220 89.192 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.926 -13.141 88.625 1.00 0.00 H new ATOM 1379 N SER A 89 22.312 -14.926 89.331 1.00 0.00 N ATOM 1380 CA SER A 89 22.697 -16.317 89.678 1.00 0.00 C ATOM 1381 C SER A 89 22.362 -17.202 88.480 1.00 0.00 C ATOM 1382 O SER A 89 22.754 -18.350 88.397 1.00 0.00 O ATOM 1383 CB SER A 89 21.886 -16.778 90.885 1.00 0.00 C ATOM 1384 OG SER A 89 22.399 -18.017 91.349 1.00 0.00 O ATOM 0 H SER A 89 21.612 -14.504 89.942 1.00 0.00 H new ATOM 0 HA SER A 89 23.759 -16.375 89.917 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.935 -16.031 91.677 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.836 -16.885 90.613 1.00 0.00 H new ATOM 0 HG SER A 89 21.881 -18.315 92.126 1.00 0.00 H new ATOM 1390 N LYS A 90 21.607 -16.660 87.560 1.00 0.00 N ATOM 1391 CA LYS A 90 21.193 -17.420 86.355 1.00 0.00 C ATOM 1392 C LYS A 90 21.819 -16.764 85.118 1.00 0.00 C ATOM 1393 O LYS A 90 21.999 -17.391 84.091 1.00 0.00 O ATOM 1394 CB LYS A 90 19.658 -17.377 86.308 1.00 0.00 C ATOM 1395 CG LYS A 90 19.122 -17.670 84.904 1.00 0.00 C ATOM 1396 CD LYS A 90 17.885 -18.576 85.009 1.00 0.00 C ATOM 1397 CE LYS A 90 16.842 -17.957 85.953 1.00 0.00 C ATOM 1398 NZ LYS A 90 17.058 -18.450 87.346 1.00 0.00 N ATOM 0 H LYS A 90 21.256 -15.703 87.599 1.00 0.00 H new ATOM 0 HA LYS A 90 21.527 -18.457 86.382 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.253 -18.105 87.011 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.312 -16.395 86.631 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.863 -16.739 84.400 1.00 0.00 H new ATOM 0 HG3 LYS A 90 19.891 -18.154 84.303 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.449 -18.721 84.021 1.00 0.00 H new ATOM 0 HD3 LYS A 90 18.178 -19.560 85.376 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.916 -16.870 85.928 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.837 -18.216 85.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.141 -18.685 87.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.658 -19.299 87.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.525 -17.710 87.908 1.00 0.00 H new ATOM 1412 N GLY A 91 22.172 -15.510 85.221 1.00 0.00 N ATOM 1413 CA GLY A 91 22.811 -14.807 84.071 1.00 0.00 C ATOM 1414 C GLY A 91 22.436 -13.321 84.077 1.00 0.00 C ATOM 1415 O GLY A 91 22.999 -12.530 84.810 1.00 0.00 O ATOM 0 H GLY A 91 22.044 -14.940 86.057 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.894 -14.915 84.127 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.493 -15.265 83.134 1.00 0.00 H new ATOM 1419 N ALA A 92 21.487 -12.942 83.265 1.00 0.00 N ATOM 1420 CA ALA A 92 21.058 -11.512 83.204 1.00 0.00 C ATOM 1421 C ALA A 92 22.270 -10.575 83.190 1.00 0.00 C ATOM 1422 O ALA A 92 22.122 -9.377 83.333 1.00 0.00 O ATOM 1423 CB ALA A 92 20.205 -11.195 84.436 1.00 0.00 C ATOM 0 H ALA A 92 20.985 -13.567 82.634 1.00 0.00 H new ATOM 0 HA ALA A 92 20.487 -11.360 82.288 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.887 -10.153 84.400 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.328 -11.842 84.447 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.792 -11.364 85.339 1.00 0.00 H new ATOM 1429 N ASP A 93 23.461 -11.090 83.027 1.00 0.00 N ATOM 1430 CA ASP A 93 24.660 -10.192 83.028 1.00 0.00 C ATOM 1431 C ASP A 93 24.378 -8.998 83.938 1.00 0.00 C ATOM 1432 O ASP A 93 24.263 -9.137 85.139 1.00 0.00 O ATOM 1433 CB ASP A 93 24.963 -9.712 81.603 1.00 0.00 C ATOM 1434 CG ASP A 93 26.288 -8.944 81.592 1.00 0.00 C ATOM 1435 OD1 ASP A 93 26.901 -8.847 82.641 1.00 0.00 O ATOM 1436 OD2 ASP A 93 26.665 -8.465 80.534 1.00 0.00 O ATOM 0 H ASP A 93 23.657 -12.082 82.894 1.00 0.00 H new ATOM 0 HA ASP A 93 25.528 -10.738 83.396 1.00 0.00 H new ATOM 0 HB2 ASP A 93 25.019 -10.564 80.925 1.00 0.00 H new ATOM 0 HB3 ASP A 93 24.157 -9.072 81.245 1.00 0.00 H new ATOM 1441 N LYS A 94 24.244 -7.833 83.384 1.00 0.00 N ATOM 1442 CA LYS A 94 23.942 -6.649 84.223 1.00 0.00 C ATOM 1443 C LYS A 94 23.506 -5.505 83.311 1.00 0.00 C ATOM 1444 O LYS A 94 22.683 -4.688 83.667 1.00 0.00 O ATOM 1445 CB LYS A 94 25.177 -6.266 85.041 1.00 0.00 C ATOM 1446 CG LYS A 94 24.910 -4.972 85.813 1.00 0.00 C ATOM 1447 CD LYS A 94 23.776 -5.177 86.840 1.00 0.00 C ATOM 1448 CE LYS A 94 22.469 -4.540 86.338 1.00 0.00 C ATOM 1449 NZ LYS A 94 21.646 -4.109 87.503 1.00 0.00 N ATOM 0 H LYS A 94 24.331 -7.648 82.385 1.00 0.00 H new ATOM 0 HA LYS A 94 23.136 -6.872 84.922 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.428 -7.068 85.735 1.00 0.00 H new ATOM 0 HB3 LYS A 94 26.035 -6.136 84.381 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.818 -4.653 86.325 1.00 0.00 H new ATOM 0 HG3 LYS A 94 24.640 -4.177 85.118 1.00 0.00 H new ATOM 0 HD2 LYS A 94 23.624 -6.242 87.014 1.00 0.00 H new ATOM 0 HD3 LYS A 94 24.059 -4.735 87.795 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.691 -3.685 85.700 1.00 0.00 H new ATOM 0 HE3 LYS A 94 21.913 -5.255 85.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.642 -4.097 87.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 21.785 -4.773 88.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.936 -3.155 87.799 1.00 0.00 H new ATOM 1463 N THR A 95 24.035 -5.463 82.120 1.00 0.00 N ATOM 1464 CA THR A 95 23.636 -4.400 81.158 1.00 0.00 C ATOM 1465 C THR A 95 23.122 -5.074 79.888 1.00 0.00 C ATOM 1466 O THR A 95 23.569 -4.790 78.796 1.00 0.00 O ATOM 1467 CB THR A 95 24.839 -3.518 80.816 1.00 0.00 C ATOM 1468 OG1 THR A 95 25.985 -4.334 80.622 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.091 -2.535 81.959 1.00 0.00 C ATOM 0 H THR A 95 24.730 -6.123 81.771 1.00 0.00 H new ATOM 0 HA THR A 95 22.861 -3.774 81.600 1.00 0.00 H new ATOM 0 HB THR A 95 24.635 -2.961 79.901 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.755 -3.769 80.401 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.948 -1.906 81.716 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.210 -1.909 82.101 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.295 -3.088 82.876 1.00 0.00 H new ATOM 1477 N VAL A 96 22.195 -5.984 80.030 1.00 0.00 N ATOM 1478 CA VAL A 96 21.667 -6.696 78.839 1.00 0.00 C ATOM 1479 C VAL A 96 20.753 -5.772 78.030 1.00 0.00 C ATOM 1480 O VAL A 96 20.428 -6.061 76.894 1.00 0.00 O ATOM 1481 CB VAL A 96 20.857 -7.913 79.296 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.305 -8.648 78.073 1.00 0.00 C ATOM 1483 CG2 VAL A 96 21.753 -8.859 80.099 1.00 0.00 C ATOM 0 H VAL A 96 21.783 -6.262 80.921 1.00 0.00 H new ATOM 0 HA VAL A 96 22.505 -7.010 78.217 1.00 0.00 H new ATOM 0 HB VAL A 96 20.031 -7.580 79.924 1.00 0.00 H new ATOM 0 HG11 VAL A 96 19.729 -9.514 78.398 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.661 -7.976 77.505 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.131 -8.978 77.443 1.00 0.00 H new ATOM 0 HG21 VAL A 96 21.173 -9.723 80.422 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.583 -9.192 79.475 1.00 0.00 H new ATOM 0 HG23 VAL A 96 22.143 -8.337 80.973 1.00 0.00 H new ATOM 1493 N LYS A 97 20.328 -4.664 78.583 1.00 0.00 N ATOM 1494 CA LYS A 97 19.436 -3.765 77.791 1.00 0.00 C ATOM 1495 C LYS A 97 19.378 -2.346 78.382 1.00 0.00 C ATOM 1496 O LYS A 97 18.702 -1.487 77.851 1.00 0.00 O ATOM 1497 CB LYS A 97 18.031 -4.370 77.753 1.00 0.00 C ATOM 1498 CG LYS A 97 17.343 -4.010 76.426 1.00 0.00 C ATOM 1499 CD LYS A 97 17.759 -4.998 75.326 1.00 0.00 C ATOM 1500 CE LYS A 97 17.476 -4.382 73.951 1.00 0.00 C ATOM 1501 NZ LYS A 97 17.521 -5.443 72.903 1.00 0.00 N ATOM 0 H LYS A 97 20.553 -4.348 79.526 1.00 0.00 H new ATOM 0 HA LYS A 97 19.842 -3.680 76.783 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.089 -5.453 77.861 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.442 -3.997 78.591 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.261 -4.030 76.552 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.611 -2.995 76.133 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.819 -5.236 75.418 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.211 -5.934 75.437 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.498 -3.901 73.952 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.212 -3.609 73.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.328 -5.020 71.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.463 -5.883 72.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.803 -6.166 73.110 1.00 0.00 H new ATOM 1515 N GLY A 98 20.081 -2.067 79.451 1.00 0.00 N ATOM 1516 CA GLY A 98 20.043 -0.682 80.008 1.00 0.00 C ATOM 1517 C GLY A 98 20.856 0.219 79.081 1.00 0.00 C ATOM 1518 O GLY A 98 21.499 -0.267 78.173 1.00 0.00 O ATOM 0 H GLY A 98 20.671 -2.728 79.956 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.015 -0.328 80.079 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.457 -0.665 81.016 1.00 0.00 H new ATOM 1522 N PRO A 99 20.824 1.501 79.330 1.00 0.00 N ATOM 1523 CA PRO A 99 21.579 2.458 78.507 1.00 0.00 C ATOM 1524 C PRO A 99 23.022 1.994 78.398 1.00 0.00 C ATOM 1525 O PRO A 99 23.463 1.525 77.369 1.00 0.00 O ATOM 1526 CB PRO A 99 21.475 3.790 79.264 1.00 0.00 C ATOM 1527 CG PRO A 99 20.473 3.584 80.432 1.00 0.00 C ATOM 1528 CD PRO A 99 20.061 2.098 80.439 1.00 0.00 C ATOM 0 HA PRO A 99 21.197 2.550 77.490 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.451 4.092 79.644 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.132 4.583 78.600 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.931 3.858 81.382 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.599 4.223 80.303 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.304 1.623 81.389 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.987 1.983 80.290 1.00 0.00 H new ATOM 1536 N ASP A 100 23.758 2.113 79.457 1.00 0.00 N ATOM 1537 CA ASP A 100 25.172 1.669 79.425 1.00 0.00 C ATOM 1538 C ASP A 100 25.641 1.389 80.852 1.00 0.00 C ATOM 1539 O ASP A 100 25.078 0.570 81.557 1.00 0.00 O ATOM 1540 CB ASP A 100 26.037 2.767 78.799 1.00 0.00 C ATOM 1541 CG ASP A 100 27.456 2.239 78.572 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.601 1.040 78.395 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.373 3.043 78.578 1.00 0.00 O ATOM 0 H ASP A 100 23.443 2.499 80.347 1.00 0.00 H new ATOM 0 HA ASP A 100 25.262 0.761 78.829 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.603 3.090 77.853 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.063 3.639 79.452 1.00 0.00 H new ATOM 1548 N GLY A 101 26.665 2.060 81.280 1.00 0.00 N ATOM 1549 CA GLY A 101 27.180 1.836 82.656 1.00 0.00 C ATOM 1550 C GLY A 101 26.095 2.171 83.685 1.00 0.00 C ATOM 1551 O GLY A 101 26.307 2.065 84.884 1.00 0.00 O ATOM 0 H GLY A 101 27.172 2.758 80.736 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.493 0.798 82.771 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.060 2.456 82.829 1.00 0.00 H new ATOM 1555 N LEU A 102 24.919 2.556 83.250 1.00 0.00 N ATOM 1556 CA LEU A 102 23.863 2.876 84.247 1.00 0.00 C ATOM 1557 C LEU A 102 23.753 1.714 85.191 1.00 0.00 C ATOM 1558 O LEU A 102 24.129 1.806 86.341 1.00 0.00 O ATOM 1559 CB LEU A 102 22.500 3.098 83.579 1.00 0.00 C ATOM 1560 CG LEU A 102 21.461 3.634 84.592 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.110 3.797 83.896 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.277 2.668 85.773 1.00 0.00 C ATOM 0 H LEU A 102 24.653 2.659 82.271 1.00 0.00 H new ATOM 0 HA LEU A 102 24.137 3.795 84.766 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.606 3.804 82.755 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.145 2.160 83.151 1.00 0.00 H new ATOM 0 HG LEU A 102 21.826 4.590 84.968 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.377 4.175 84.609 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.209 4.501 83.070 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.779 2.832 83.513 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.540 3.076 86.465 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.932 1.703 85.403 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.228 2.540 86.290 1.00 0.00 H new ATOM 1574 N THR A 103 23.217 0.622 84.728 1.00 0.00 N ATOM 1575 CA THR A 103 23.057 -0.530 85.637 1.00 0.00 C ATOM 1576 C THR A 103 23.041 0.006 87.067 1.00 0.00 C ATOM 1577 O THR A 103 22.126 0.698 87.482 1.00 0.00 O ATOM 1578 CB THR A 103 24.225 -1.513 85.465 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.299 -2.357 86.607 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.547 -0.752 85.312 1.00 0.00 C ATOM 0 H THR A 103 22.889 0.483 83.772 1.00 0.00 H new ATOM 0 HA THR A 103 22.132 -1.060 85.412 1.00 0.00 H new ATOM 0 HB THR A 103 24.056 -2.110 84.569 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.237 -2.563 86.801 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.364 -1.463 85.191 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.496 -0.106 84.436 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.722 -0.145 86.200 1.00 0.00 H new ATOM 1588 N ALA A 104 24.048 -0.296 87.817 1.00 0.00 N ATOM 1589 CA ALA A 104 24.097 0.177 89.226 1.00 0.00 C ATOM 1590 C ALA A 104 24.850 1.516 89.345 1.00 0.00 C ATOM 1591 O ALA A 104 24.627 2.269 90.269 1.00 0.00 O ATOM 1592 CB ALA A 104 24.814 -0.882 90.065 1.00 0.00 C ATOM 0 H ALA A 104 24.848 -0.854 87.519 1.00 0.00 H new ATOM 0 HA ALA A 104 23.078 0.333 89.581 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.860 -0.553 91.103 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.268 -1.824 90.006 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.825 -1.025 89.684 1.00 0.00 H new ATOM 1598 N LEU A 105 25.768 1.801 88.457 1.00 0.00 N ATOM 1599 CA LEU A 105 26.564 3.055 88.582 1.00 0.00 C ATOM 1600 C LEU A 105 25.696 4.309 88.645 1.00 0.00 C ATOM 1601 O LEU A 105 25.668 5.001 89.645 1.00 0.00 O ATOM 1602 CB LEU A 105 27.484 3.201 87.381 1.00 0.00 C ATOM 1603 CG LEU A 105 28.194 1.885 87.075 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.196 2.127 85.945 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.938 1.385 88.321 1.00 0.00 C ATOM 0 H LEU A 105 25.999 1.219 87.652 1.00 0.00 H new ATOM 0 HA LEU A 105 27.121 2.970 89.515 1.00 0.00 H new ATOM 0 HB2 LEU A 105 26.907 3.518 86.512 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.221 3.980 87.575 1.00 0.00 H new ATOM 0 HG LEU A 105 27.463 1.132 86.779 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.714 1.196 85.712 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.667 2.480 85.059 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.922 2.878 86.257 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.441 0.446 88.092 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.676 2.127 88.626 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.226 1.227 89.131 1.00 0.00 H new ATOM 1617 N GLU A 106 25.030 4.642 87.577 1.00 0.00 N ATOM 1618 CA GLU A 106 24.224 5.882 87.568 1.00 0.00 C ATOM 1619 C GLU A 106 22.886 5.649 88.269 1.00 0.00 C ATOM 1620 O GLU A 106 22.081 6.552 88.404 1.00 0.00 O ATOM 1621 CB GLU A 106 23.972 6.300 86.118 1.00 0.00 C ATOM 1622 CG GLU A 106 25.295 6.324 85.345 1.00 0.00 C ATOM 1623 CD GLU A 106 26.119 7.540 85.775 1.00 0.00 C ATOM 1624 OE1 GLU A 106 25.628 8.307 86.585 1.00 0.00 O ATOM 1625 OE2 GLU A 106 27.228 7.682 85.285 1.00 0.00 O ATOM 0 H GLU A 106 25.012 4.105 86.710 1.00 0.00 H new ATOM 0 HA GLU A 106 24.765 6.667 88.096 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.277 5.606 85.646 1.00 0.00 H new ATOM 0 HB3 GLU A 106 23.506 7.285 86.090 1.00 0.00 H new ATOM 0 HG2 GLU A 106 25.855 5.408 85.533 1.00 0.00 H new ATOM 0 HG3 GLU A 106 25.101 6.364 84.273 1.00 0.00 H new ATOM 1632 N ALA A 107 22.630 4.448 88.708 1.00 0.00 N ATOM 1633 CA ALA A 107 21.331 4.180 89.385 1.00 0.00 C ATOM 1634 C ALA A 107 21.311 4.685 90.833 1.00 0.00 C ATOM 1635 O ALA A 107 20.350 5.296 91.257 1.00 0.00 O ATOM 1636 CB ALA A 107 21.073 2.679 89.411 1.00 0.00 C ATOM 0 H ALA A 107 23.257 3.648 88.628 1.00 0.00 H new ATOM 0 HA ALA A 107 20.563 4.710 88.821 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.122 2.482 89.906 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.036 2.298 88.390 1.00 0.00 H new ATOM 0 HB3 ALA A 107 21.876 2.181 89.955 1.00 0.00 H new ATOM 1642 N THR A 108 22.304 4.387 91.627 1.00 0.00 N ATOM 1643 CA THR A 108 22.221 4.812 93.049 1.00 0.00 C ATOM 1644 C THR A 108 23.590 4.983 93.706 1.00 0.00 C ATOM 1645 O THR A 108 24.608 5.166 93.070 1.00 0.00 O ATOM 1646 CB THR A 108 21.496 3.704 93.797 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.334 4.070 95.159 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.333 2.424 93.700 1.00 0.00 C ATOM 0 H THR A 108 23.148 3.880 91.360 1.00 0.00 H new ATOM 0 HA THR A 108 21.714 5.776 93.086 1.00 0.00 H new ATOM 0 HB THR A 108 20.511 3.540 93.359 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.106 5.021 95.217 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.828 1.618 94.232 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.455 2.148 92.653 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.312 2.595 94.147 1.00 0.00 H new ATOM 1656 N ASP A 109 23.580 4.893 95.012 1.00 0.00 N ATOM 1657 CA ASP A 109 24.817 5.006 95.818 1.00 0.00 C ATOM 1658 C ASP A 109 24.684 4.081 97.034 1.00 0.00 C ATOM 1659 O ASP A 109 25.590 3.967 97.836 1.00 0.00 O ATOM 1660 CB ASP A 109 25.014 6.450 96.285 1.00 0.00 C ATOM 1661 CG ASP A 109 26.234 6.526 97.207 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.339 6.572 96.693 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.042 6.534 98.413 1.00 0.00 O ATOM 0 H ASP A 109 22.735 4.741 95.563 1.00 0.00 H new ATOM 0 HA ASP A 109 25.679 4.719 95.216 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.153 7.106 95.425 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.125 6.798 96.811 1.00 0.00 H new ATOM 1668 N ASN A 110 23.572 3.389 97.164 1.00 0.00 N ATOM 1669 CA ASN A 110 23.424 2.450 98.312 1.00 0.00 C ATOM 1670 C ASN A 110 24.261 1.219 97.968 1.00 0.00 C ATOM 1671 O ASN A 110 24.283 0.771 96.844 1.00 0.00 O ATOM 1672 CB ASN A 110 21.946 2.090 98.545 1.00 0.00 C ATOM 1673 CG ASN A 110 21.415 1.271 97.377 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.104 1.230 96.278 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.366 0.666 97.468 1.00 0.00 N flip ATOM 0 H ASN A 110 22.774 3.437 96.531 1.00 0.00 H new ATOM 0 HA ASN A 110 23.769 2.901 99.242 1.00 0.00 H new ATOM 0 HB2 ASN A 110 21.843 1.525 99.471 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.356 2.999 98.659 1.00 0.00 H new ATOM 0 HD21 ASN A 110 19.830 0.703 98.335 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.021 0.121 96.678 1.00 0.00 H new ATOM 1682 N GLN A 111 25.017 0.732 98.903 1.00 0.00 N ATOM 1683 CA GLN A 111 25.950 -0.402 98.619 1.00 0.00 C ATOM 1684 C GLN A 111 25.235 -1.756 98.398 1.00 0.00 C ATOM 1685 O GLN A 111 25.884 -2.764 98.206 1.00 0.00 O ATOM 1686 CB GLN A 111 26.960 -0.463 99.782 1.00 0.00 C ATOM 1687 CG GLN A 111 27.283 -1.899 100.188 1.00 0.00 C ATOM 1688 CD GLN A 111 28.232 -1.855 101.388 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.397 -1.545 101.241 1.00 0.00 O ATOM 1690 NE2 GLN A 111 27.779 -2.138 102.580 1.00 0.00 N ATOM 0 H GLN A 111 25.034 1.070 99.865 1.00 0.00 H new ATOM 0 HA GLN A 111 26.459 -0.217 97.673 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.879 0.046 99.491 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.556 0.074 100.640 1.00 0.00 H new ATOM 0 HG2 GLN A 111 26.370 -2.436 100.445 1.00 0.00 H new ATOM 0 HG3 GLN A 111 27.744 -2.434 99.358 1.00 0.00 H new ATOM 0 HE21 GLN A 111 26.801 -2.399 102.705 1.00 0.00 H new ATOM 0 HE22 GLN A 111 28.403 -2.098 103.386 1.00 0.00 H new ATOM 1699 N ALA A 112 23.929 -1.811 98.384 1.00 0.00 N ATOM 1700 CA ALA A 112 23.258 -3.131 98.149 1.00 0.00 C ATOM 1701 C ALA A 112 23.189 -3.416 96.643 1.00 0.00 C ATOM 1702 O ALA A 112 23.503 -4.498 96.164 1.00 0.00 O ATOM 1703 CB ALA A 112 21.839 -3.101 98.721 1.00 0.00 C ATOM 0 H ALA A 112 23.304 -1.017 98.522 1.00 0.00 H new ATOM 0 HA ALA A 112 23.833 -3.914 98.643 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.356 -4.063 98.547 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.883 -2.905 99.792 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.266 -2.314 98.231 1.00 0.00 H new ATOM 1709 N ILE A 113 22.802 -2.437 95.896 1.00 0.00 N ATOM 1710 CA ILE A 113 22.711 -2.587 94.415 1.00 0.00 C ATOM 1711 C ILE A 113 24.107 -2.789 93.858 1.00 0.00 C ATOM 1712 O ILE A 113 24.392 -3.745 93.158 1.00 0.00 O ATOM 1713 CB ILE A 113 22.151 -1.278 93.851 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.625 -1.295 93.861 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.645 -1.068 92.420 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.106 -0.721 95.182 1.00 0.00 C ATOM 0 H ILE A 113 22.538 -1.517 96.248 1.00 0.00 H new ATOM 0 HA ILE A 113 22.077 -3.433 94.150 1.00 0.00 H new ATOM 0 HB ILE A 113 22.500 -0.460 94.481 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.241 -0.711 93.025 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.263 -2.315 93.730 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.241 -0.134 92.029 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.734 -1.023 92.414 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.313 -1.897 91.795 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.016 -0.736 95.182 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.477 -1.323 96.011 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.455 0.306 95.295 1.00 0.00 H new ATOM 1728 N LYS A 114 24.977 -1.876 94.148 1.00 0.00 N ATOM 1729 CA LYS A 114 26.349 -1.984 93.628 1.00 0.00 C ATOM 1730 C LYS A 114 26.892 -3.364 94.002 1.00 0.00 C ATOM 1731 O LYS A 114 27.909 -3.804 93.506 1.00 0.00 O ATOM 1732 CB LYS A 114 27.189 -0.827 94.191 1.00 0.00 C ATOM 1733 CG LYS A 114 26.235 0.338 94.514 1.00 0.00 C ATOM 1734 CD LYS A 114 26.962 1.686 94.433 1.00 0.00 C ATOM 1735 CE LYS A 114 27.118 2.123 92.967 1.00 0.00 C ATOM 1736 NZ LYS A 114 28.565 2.155 92.619 1.00 0.00 N ATOM 0 H LYS A 114 24.793 -1.056 94.726 1.00 0.00 H new ATOM 0 HA LYS A 114 26.384 -1.898 92.542 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.722 -1.144 95.088 1.00 0.00 H new ATOM 0 HB3 LYS A 114 27.941 -0.514 93.467 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.398 0.330 93.816 1.00 0.00 H new ATOM 0 HG3 LYS A 114 25.819 0.205 95.513 1.00 0.00 H new ATOM 0 HD2 LYS A 114 26.404 2.441 94.987 1.00 0.00 H new ATOM 0 HD3 LYS A 114 27.943 1.606 94.902 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.589 1.432 92.311 1.00 0.00 H new ATOM 0 HE3 LYS A 114 26.674 3.107 92.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 28.673 2.181 91.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 29.003 3.002 93.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 29.031 1.305 92.995 1.00 0.00 H new ATOM 1750 N ALA A 115 26.175 -4.089 94.829 1.00 0.00 N ATOM 1751 CA ALA A 115 26.619 -5.463 95.154 1.00 0.00 C ATOM 1752 C ALA A 115 26.614 -6.218 93.832 1.00 0.00 C ATOM 1753 O ALA A 115 27.489 -7.012 93.551 1.00 0.00 O ATOM 1754 CB ALA A 115 25.661 -6.137 96.138 1.00 0.00 C ATOM 0 H ALA A 115 25.314 -3.785 95.283 1.00 0.00 H new ATOM 0 HA ALA A 115 27.602 -5.454 95.624 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.014 -7.145 96.357 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.620 -5.558 97.061 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.665 -6.189 95.698 1.00 0.00 H new ATOM 1760 N LEU A 116 25.641 -5.943 92.996 1.00 0.00 N ATOM 1761 CA LEU A 116 25.621 -6.617 91.669 1.00 0.00 C ATOM 1762 C LEU A 116 26.818 -6.089 90.880 1.00 0.00 C ATOM 1763 O LEU A 116 27.197 -6.637 89.866 1.00 0.00 O ATOM 1764 CB LEU A 116 24.329 -6.273 90.899 1.00 0.00 C ATOM 1765 CG LEU A 116 23.300 -7.421 90.951 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.237 -7.179 89.875 1.00 0.00 C ATOM 1767 CD2 LEU A 116 23.962 -8.781 90.679 1.00 0.00 C ATOM 0 H LEU A 116 24.875 -5.293 93.174 1.00 0.00 H new ATOM 0 HA LEU A 116 25.664 -7.698 91.800 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.886 -5.370 91.320 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.574 -6.053 89.860 1.00 0.00 H new ATOM 0 HG LEU A 116 22.859 -7.440 91.948 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.503 -7.984 89.901 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.739 -6.228 90.063 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.712 -7.153 88.894 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.209 -9.568 90.723 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.419 -8.772 89.690 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.728 -8.970 91.431 1.00 0.00 H new ATOM 1779 N LEU A 117 27.427 -5.028 91.354 1.00 0.00 N ATOM 1780 CA LEU A 117 28.617 -4.479 90.641 1.00 0.00 C ATOM 1781 C LEU A 117 29.809 -5.357 91.001 1.00 0.00 C ATOM 1782 O LEU A 117 30.937 -5.085 90.637 1.00 0.00 O ATOM 1783 CB LEU A 117 28.888 -3.027 91.082 1.00 0.00 C ATOM 1784 CG LEU A 117 29.323 -2.172 89.882 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.618 -2.733 89.286 1.00 0.00 C ATOM 1786 CD2 LEU A 117 28.222 -2.176 88.811 1.00 0.00 C ATOM 0 H LEU A 117 27.152 -4.524 92.197 1.00 0.00 H new ATOM 0 HA LEU A 117 28.444 -4.477 89.565 1.00 0.00 H new ATOM 0 HB2 LEU A 117 27.990 -2.604 91.531 1.00 0.00 H new ATOM 0 HB3 LEU A 117 29.664 -3.012 91.847 1.00 0.00 H new ATOM 0 HG LEU A 117 29.494 -1.150 90.219 1.00 0.00 H new ATOM 0 HD11 LEU A 117 30.921 -2.123 88.435 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.403 -2.718 90.042 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.452 -3.758 88.956 1.00 0.00 H new ATOM 0 HD21 LEU A 117 28.537 -1.568 87.963 1.00 0.00 H new ATOM 0 HD22 LEU A 117 28.042 -3.198 88.478 1.00 0.00 H new ATOM 0 HD23 LEU A 117 27.304 -1.765 89.231 1.00 0.00 H new ATOM 1798 N GLN A 118 29.553 -6.417 91.716 1.00 0.00 N ATOM 1799 CA GLN A 118 30.645 -7.343 92.113 1.00 0.00 C ATOM 1800 C GLN A 118 31.112 -8.123 90.881 1.00 0.00 C ATOM 1801 O GLN A 118 30.548 -7.905 89.821 1.00 0.00 O ATOM 1802 CB GLN A 118 30.122 -8.323 93.172 1.00 0.00 C ATOM 1803 CG GLN A 118 29.136 -9.314 92.536 1.00 0.00 C ATOM 1804 CD GLN A 118 29.907 -10.473 91.895 1.00 0.00 C ATOM 1805 OE1 GLN A 118 30.013 -10.532 90.594 1.00 0.00 O flip ATOM 1806 NE2 GLN A 118 30.418 -11.332 92.584 1.00 0.00 N flip ATOM 1807 OXT GLN A 118 32.021 -8.926 91.017 1.00 0.00 O ATOM 0 H GLN A 118 28.624 -6.682 92.044 1.00 0.00 H new ATOM 0 HA GLN A 118 31.479 -6.775 92.526 1.00 0.00 H new ATOM 0 HB2 GLN A 118 30.955 -8.865 93.620 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.630 -7.774 93.975 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.450 -9.695 93.293 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.531 -8.807 91.784 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.336 -11.287 93.600 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.929 -12.099 92.147 1.00 0.00 H new