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 180:sc= 0.0107! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -16.4! C(o=-22!,f=-16!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0122) USER MOD Set 2.2: A 103 THR OG1 : rot -146:sc= -1.87! USER MOD Set 3.1: A 40 HIS : no HE2:sc= 0.682 K(o=0.63,f=-12!) USER MOD Set 3.2: A 74 SER OG : rot -12:sc= -0.0536! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 145:sc= -0.314 (180deg=-2.65!) USER MOD Single : A 11 LYS NZ :NH3+ -145:sc= 0.757 (180deg=0.174) USER MOD Single : A 12 ASN : amide:sc= -0.562 K(o=-0.56,f=-2.8!) USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= -0.495 (180deg=-0.68) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.73! C(o=-5.2!,f=-1.7!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= -1.29 (180deg=-2.06) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.793 USER MOD Single : A 45 CYS SG : rot -5:sc= -3.48! USER MOD Single : A 47 GLN : amide:sc= -1.64 K(o=-1.6,f=-3.2!) USER MOD Single : A 57 LYS NZ :NH3+ 156:sc= 1.24 (180deg=1.03) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.0292! C(o=-12!,f=-0.029!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.626 K(o=-0.63,f=-1.2!) USER MOD Single : A 68 HIS : no HE2:sc= -0.03 K(o=-0.03,f=-0.71) USER MOD Single : A 70 THR OG1 : rot 120:sc= -5.23! USER MOD Single : A 77 TYR OH : rot 130:sc= -0.54 USER MOD Single : A 80 HIS : no HD1:sc= -1.87! C(o=-1.9!,f=-5.9!) USER MOD Single : A 82 SER OG : rot 150:sc= -0.147 USER MOD Single : A 83 CYS SG : rot 160:sc= -3.83! 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+ -109:sc= -3.99! (180deg=-8.93!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 163:sc= -0.0242 (180deg=-0.327) USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 114 LYS NZ :NH3+ 155:sc= -0.0335 (180deg=-0.383) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.716 -7.157 87.532 1.00 0.00 N ATOM 44 CA LYS A 4 -6.129 -6.876 88.869 1.00 0.00 C ATOM 45 C LYS A 4 -5.604 -8.180 89.487 1.00 0.00 C ATOM 46 O LYS A 4 -4.425 -8.323 89.743 1.00 0.00 O ATOM 47 CB LYS A 4 -7.215 -6.280 89.768 1.00 0.00 C ATOM 48 CG LYS A 4 -7.619 -4.891 89.252 1.00 0.00 C ATOM 49 CD LYS A 4 -6.696 -3.820 89.844 1.00 0.00 C ATOM 50 CE LYS A 4 -7.171 -2.435 89.397 1.00 0.00 C ATOM 51 NZ LYS A 4 -6.277 -1.394 89.979 1.00 0.00 N ATOM 0 HA LYS A 4 -5.302 -6.172 88.771 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.084 -6.937 89.787 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.850 -6.205 90.792 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.564 -4.869 88.164 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.654 -4.681 89.523 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.698 -3.884 90.932 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.670 -3.988 89.517 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.164 -2.369 88.309 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.199 -2.269 89.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.598 -0.452 89.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.306 -1.453 91.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.303 -1.550 89.650 1.00 0.00 H new ATOM 65 N GLU A 5 -6.474 -9.129 89.731 1.00 0.00 N ATOM 66 CA GLU A 5 -6.030 -10.422 90.335 1.00 0.00 C ATOM 67 C GLU A 5 -4.767 -10.909 89.617 1.00 0.00 C ATOM 68 O GLU A 5 -3.912 -11.541 90.205 1.00 0.00 O ATOM 69 CB GLU A 5 -7.148 -11.470 90.193 1.00 0.00 C ATOM 70 CG GLU A 5 -7.914 -11.615 91.515 1.00 0.00 C ATOM 71 CD GLU A 5 -6.998 -12.230 92.576 1.00 0.00 C ATOM 72 OE1 GLU A 5 -6.131 -13.004 92.206 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.187 -11.923 93.742 1.00 0.00 O ATOM 0 H GLU A 5 -7.473 -9.063 89.538 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.812 -10.275 91.393 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.833 -11.175 89.398 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.721 -12.431 89.905 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.271 -10.641 91.849 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.793 -12.244 91.370 1.00 0.00 H new ATOM 80 N PHE A 6 -4.638 -10.616 88.353 1.00 0.00 N ATOM 81 CA PHE A 6 -3.423 -11.065 87.612 1.00 0.00 C ATOM 82 C PHE A 6 -2.202 -10.333 88.185 1.00 0.00 C ATOM 83 O PHE A 6 -1.417 -10.910 88.908 1.00 0.00 O ATOM 84 CB PHE A 6 -3.581 -10.750 86.115 1.00 0.00 C ATOM 85 CG PHE A 6 -2.731 -11.685 85.258 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.452 -12.104 85.672 1.00 0.00 C ATOM 87 CD2 PHE A 6 -3.247 -12.144 84.037 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.699 -12.966 84.856 1.00 0.00 C ATOM 89 CE2 PHE A 6 -2.492 -13.003 83.229 1.00 0.00 C ATOM 90 CZ PHE A 6 -1.222 -13.418 83.640 1.00 0.00 C ATOM 0 H PHE A 6 -5.316 -10.089 87.803 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.290 -12.141 87.725 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.629 -10.844 85.830 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.291 -9.716 85.926 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.050 -11.764 86.615 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -4.231 -11.833 83.719 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.286 -13.280 85.169 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.892 -13.346 82.286 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.645 -14.087 83.019 1.00 0.00 H new ATOM 100 N MET A 7 -2.029 -9.075 87.875 1.00 0.00 N ATOM 101 CA MET A 7 -0.846 -8.343 88.415 1.00 0.00 C ATOM 102 C MET A 7 -0.815 -8.458 89.943 1.00 0.00 C ATOM 103 O MET A 7 0.231 -8.617 90.541 1.00 0.00 O ATOM 104 CB MET A 7 -0.900 -6.861 88.004 1.00 0.00 C ATOM 105 CG MET A 7 -1.857 -6.075 88.911 1.00 0.00 C ATOM 106 SD MET A 7 -2.368 -4.551 88.073 1.00 0.00 S ATOM 107 CE MET A 7 -3.341 -5.315 86.750 1.00 0.00 C ATOM 0 H MET A 7 -2.649 -8.528 87.278 1.00 0.00 H new ATOM 0 HA MET A 7 0.059 -8.789 88.002 1.00 0.00 H new ATOM 0 HB2 MET A 7 0.099 -6.427 88.060 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.226 -6.779 86.967 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.730 -6.682 89.149 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.367 -5.837 89.855 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.196 -4.681 86.514 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.720 -5.431 85.862 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.694 -6.293 87.076 1.00 0.00 H new ATOM 117 N TRP A 8 -1.948 -8.371 90.577 1.00 0.00 N ATOM 118 CA TRP A 8 -1.982 -8.459 92.065 1.00 0.00 C ATOM 119 C TRP A 8 -1.283 -9.729 92.565 1.00 0.00 C ATOM 120 O TRP A 8 -0.795 -9.771 93.677 1.00 0.00 O ATOM 121 CB TRP A 8 -3.434 -8.454 92.550 1.00 0.00 C ATOM 122 CG TRP A 8 -3.466 -8.108 94.005 1.00 0.00 C ATOM 123 CD1 TRP A 8 -3.364 -9.000 95.019 1.00 0.00 C ATOM 124 CD2 TRP A 8 -3.604 -6.797 94.626 1.00 0.00 C ATOM 125 NE1 TRP A 8 -3.434 -8.319 96.222 1.00 0.00 N ATOM 126 CE2 TRP A 8 -3.589 -6.961 96.033 1.00 0.00 C ATOM 127 CE3 TRP A 8 -3.757 -5.497 94.111 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -3.695 -5.870 96.896 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -3.866 -4.398 94.978 1.00 0.00 C ATOM 130 CH2 TRP A 8 -3.846 -4.585 96.368 1.00 0.00 C ATOM 0 H TRP A 8 -2.856 -8.242 90.130 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.452 -7.595 92.466 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.018 -7.732 91.979 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.888 -9.431 92.386 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.247 -10.068 94.907 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -3.378 -8.767 97.137 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.791 -5.343 93.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.661 -6.018 97.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.966 -3.402 94.572 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -3.947 -3.737 97.029 1.00 0.00 H new ATOM 141 N ALA A 9 -1.224 -10.757 91.772 1.00 0.00 N ATOM 142 CA ALA A 9 -0.554 -12.000 92.233 1.00 0.00 C ATOM 143 C ALA A 9 0.959 -11.824 92.107 1.00 0.00 C ATOM 144 O ALA A 9 1.699 -12.120 93.023 1.00 0.00 O ATOM 145 CB ALA A 9 -1.023 -13.186 91.393 1.00 0.00 C ATOM 0 H ALA A 9 -1.609 -10.791 90.828 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.810 -12.194 93.275 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.527 -14.094 91.737 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.102 -13.300 91.496 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.775 -13.011 90.346 1.00 0.00 H new ATOM 151 N LEU A 10 1.435 -11.325 90.994 1.00 0.00 N ATOM 152 CA LEU A 10 2.905 -11.125 90.870 1.00 0.00 C ATOM 153 C LEU A 10 3.353 -10.241 92.031 1.00 0.00 C ATOM 154 O LEU A 10 4.492 -10.248 92.448 1.00 0.00 O ATOM 155 CB LEU A 10 3.246 -10.388 89.561 1.00 0.00 C ATOM 156 CG LEU A 10 3.014 -11.288 88.331 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.674 -10.944 87.671 1.00 0.00 C ATOM 158 CD2 LEU A 10 4.127 -11.060 87.300 1.00 0.00 C ATOM 0 H LEU A 10 0.880 -11.053 90.183 1.00 0.00 H new ATOM 0 HA LEU A 10 3.402 -12.095 90.876 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.634 -9.490 89.477 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.286 -10.063 89.585 1.00 0.00 H new ATOM 0 HG LEU A 10 3.012 -12.327 88.662 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.520 -11.586 86.803 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.866 -11.100 88.385 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.682 -9.901 87.354 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.957 -11.699 86.434 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.125 -10.016 86.987 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.091 -11.303 87.746 1.00 0.00 H new ATOM 170 N LYS A 11 2.445 -9.444 92.505 1.00 0.00 N ATOM 171 CA LYS A 11 2.740 -8.477 93.595 1.00 0.00 C ATOM 172 C LYS A 11 2.501 -9.070 94.990 1.00 0.00 C ATOM 173 O LYS A 11 3.385 -9.091 95.824 1.00 0.00 O ATOM 174 CB LYS A 11 1.789 -7.304 93.397 1.00 0.00 C ATOM 175 CG LYS A 11 1.896 -6.327 94.568 1.00 0.00 C ATOM 176 CD LYS A 11 1.304 -4.976 94.157 1.00 0.00 C ATOM 177 CE LYS A 11 -0.164 -5.154 93.764 1.00 0.00 C ATOM 178 NZ LYS A 11 -0.825 -3.820 93.687 1.00 0.00 N ATOM 0 H LYS A 11 1.481 -9.421 92.173 1.00 0.00 H new ATOM 0 HA LYS A 11 3.791 -8.191 93.546 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.024 -6.791 92.464 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.765 -7.668 93.311 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.365 -6.721 95.435 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.939 -6.206 94.861 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.387 -4.266 94.980 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.867 -4.561 93.321 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.235 -5.662 92.802 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.673 -5.782 94.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.811 -3.902 94.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.318 -3.146 94.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.808 -3.480 92.704 1.00 0.00 H new ATOM 192 N ASN A 12 1.301 -9.505 95.267 1.00 0.00 N ATOM 193 CA ASN A 12 0.996 -10.037 96.629 1.00 0.00 C ATOM 194 C ASN A 12 1.581 -11.430 96.794 1.00 0.00 C ATOM 195 O ASN A 12 1.149 -12.211 97.619 1.00 0.00 O ATOM 196 CB ASN A 12 -0.515 -10.091 96.823 1.00 0.00 C ATOM 197 CG ASN A 12 -0.830 -10.379 98.292 1.00 0.00 C ATOM 198 OD1 ASN A 12 0.029 -10.265 99.143 1.00 0.00 O ATOM 199 ND2 ASN A 12 -2.035 -10.751 98.627 1.00 0.00 N ATOM 0 H ASN A 12 0.520 -9.515 94.611 1.00 0.00 H new ATOM 0 HA ASN A 12 1.440 -9.379 97.376 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.965 -9.145 96.522 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.946 -10.865 96.189 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.256 -10.946 99.604 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.756 -10.847 97.912 1.00 0.00 H new ATOM 206 N GLY A 13 2.588 -11.725 96.042 1.00 0.00 N ATOM 207 CA GLY A 13 3.252 -13.041 96.169 1.00 0.00 C ATOM 208 C GLY A 13 2.266 -14.188 95.956 1.00 0.00 C ATOM 209 O GLY A 13 2.568 -15.319 96.276 1.00 0.00 O ATOM 0 H GLY A 13 2.986 -11.106 95.336 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.060 -13.114 95.441 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.705 -13.128 97.157 1.00 0.00 H new ATOM 213 N ASP A 14 1.105 -13.939 95.405 1.00 0.00 N ATOM 214 CA ASP A 14 0.172 -15.072 95.176 1.00 0.00 C ATOM 215 C ASP A 14 0.770 -15.892 94.058 1.00 0.00 C ATOM 216 O ASP A 14 0.173 -16.146 93.029 1.00 0.00 O ATOM 217 CB ASP A 14 -1.211 -14.582 94.786 1.00 0.00 C ATOM 218 CG ASP A 14 -1.543 -13.308 95.562 1.00 0.00 C ATOM 219 OD1 ASP A 14 -1.045 -13.165 96.666 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.297 -12.501 95.043 1.00 0.00 O ATOM 0 H ASP A 14 0.772 -13.021 95.111 1.00 0.00 H new ATOM 0 HA ASP A 14 0.050 -15.658 96.087 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.250 -14.387 93.714 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.953 -15.352 94.997 1.00 0.00 H new ATOM 225 N LEU A 15 1.976 -16.267 94.272 1.00 0.00 N ATOM 226 CA LEU A 15 2.739 -17.046 93.283 1.00 0.00 C ATOM 227 C LEU A 15 1.910 -18.252 92.846 1.00 0.00 C ATOM 228 O LEU A 15 1.955 -18.680 91.710 1.00 0.00 O ATOM 229 CB LEU A 15 4.041 -17.444 93.992 1.00 0.00 C ATOM 230 CG LEU A 15 5.031 -18.165 93.070 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.672 -19.649 92.955 1.00 0.00 C ATOM 232 CD2 LEU A 15 5.052 -17.522 91.679 1.00 0.00 C ATOM 0 H LEU A 15 2.491 -16.059 95.128 1.00 0.00 H new ATOM 0 HA LEU A 15 2.967 -16.489 92.374 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.515 -16.550 94.397 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.805 -18.090 94.838 1.00 0.00 H new ATOM 0 HG LEU A 15 6.025 -18.074 93.507 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.385 -20.146 92.297 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.708 -20.110 93.942 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.668 -19.750 92.544 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.762 -18.052 91.044 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.057 -17.579 91.237 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.352 -16.478 91.765 1.00 0.00 H new ATOM 244 N ASP A 16 1.130 -18.778 93.736 1.00 0.00 N ATOM 245 CA ASP A 16 0.272 -19.931 93.393 1.00 0.00 C ATOM 246 C ASP A 16 -0.733 -19.540 92.299 1.00 0.00 C ATOM 247 O ASP A 16 -1.173 -20.368 91.527 1.00 0.00 O ATOM 248 CB ASP A 16 -0.492 -20.334 94.646 1.00 0.00 C ATOM 249 CG ASP A 16 0.491 -20.764 95.736 1.00 0.00 C ATOM 250 OD1 ASP A 16 1.583 -20.221 95.771 1.00 0.00 O ATOM 251 OD2 ASP A 16 0.135 -21.630 96.518 1.00 0.00 O ATOM 0 H ASP A 16 1.050 -18.453 94.700 1.00 0.00 H new ATOM 0 HA ASP A 16 0.887 -20.753 93.026 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.097 -19.499 94.998 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.177 -21.151 94.418 1.00 0.00 H new ATOM 256 N GLU A 17 -1.114 -18.293 92.244 1.00 0.00 N ATOM 257 CA GLU A 17 -2.111 -17.850 91.222 1.00 0.00 C ATOM 258 C GLU A 17 -1.445 -17.671 89.862 1.00 0.00 C ATOM 259 O GLU A 17 -1.910 -18.165 88.848 1.00 0.00 O ATOM 260 CB GLU A 17 -2.672 -16.499 91.637 1.00 0.00 C ATOM 261 CG GLU A 17 -3.678 -16.026 90.588 1.00 0.00 C ATOM 262 CD GLU A 17 -4.560 -14.927 91.180 1.00 0.00 C ATOM 263 OE1 GLU A 17 -5.193 -15.183 92.191 1.00 0.00 O ATOM 264 OE2 GLU A 17 -4.591 -13.849 90.611 1.00 0.00 O ATOM 0 H GLU A 17 -0.777 -17.557 92.865 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.894 -18.606 91.153 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.154 -16.576 92.611 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.865 -15.773 91.738 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.153 -15.651 89.710 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.294 -16.862 90.258 1.00 0.00 H new ATOM 271 N VAL A 18 -0.370 -16.944 89.834 1.00 0.00 N ATOM 272 CA VAL A 18 0.322 -16.696 88.546 1.00 0.00 C ATOM 273 C VAL A 18 0.869 -18.032 88.039 1.00 0.00 C ATOM 274 O VAL A 18 1.016 -18.258 86.851 1.00 0.00 O ATOM 275 CB VAL A 18 1.474 -15.696 88.780 1.00 0.00 C ATOM 276 CG1 VAL A 18 0.983 -14.243 88.645 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.026 -15.895 90.187 1.00 0.00 C ATOM 0 H VAL A 18 0.061 -16.509 90.650 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.361 -16.275 87.808 1.00 0.00 H new ATOM 0 HB VAL A 18 2.245 -15.877 88.031 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.816 -13.560 88.815 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.583 -14.086 87.643 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.202 -14.053 89.381 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.841 -15.192 90.361 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.235 -15.721 90.916 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.398 -16.914 90.291 1.00 0.00 H new ATOM 287 N LYS A 19 1.153 -18.922 88.938 1.00 0.00 N ATOM 288 CA LYS A 19 1.680 -20.253 88.544 1.00 0.00 C ATOM 289 C LYS A 19 0.598 -21.050 87.816 1.00 0.00 C ATOM 290 O LYS A 19 0.882 -21.943 87.044 1.00 0.00 O ATOM 291 CB LYS A 19 2.092 -20.981 89.821 1.00 0.00 C ATOM 292 CG LYS A 19 2.757 -22.317 89.493 1.00 0.00 C ATOM 293 CD LYS A 19 3.483 -22.842 90.743 1.00 0.00 C ATOM 294 CE LYS A 19 4.912 -22.287 90.803 1.00 0.00 C ATOM 295 NZ LYS A 19 5.516 -22.619 92.126 1.00 0.00 N ATOM 0 H LYS A 19 1.042 -18.784 89.943 1.00 0.00 H new ATOM 0 HA LYS A 19 2.531 -20.144 87.872 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.779 -20.359 90.394 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.216 -21.150 90.448 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.009 -23.038 89.163 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.464 -22.193 88.673 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.935 -22.551 91.639 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.509 -23.932 90.725 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.513 -22.712 89.999 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.901 -21.207 90.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.413 -22.104 92.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.862 -22.342 92.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.695 -23.642 92.179 1.00 0.00 H new ATOM 309 N ASP A 20 -0.637 -20.747 88.084 1.00 0.00 N ATOM 310 CA ASP A 20 -1.757 -21.495 87.448 1.00 0.00 C ATOM 311 C ASP A 20 -1.895 -21.177 85.951 1.00 0.00 C ATOM 312 O ASP A 20 -1.917 -22.072 85.124 1.00 0.00 O ATOM 313 CB ASP A 20 -3.060 -21.138 88.163 1.00 0.00 C ATOM 314 CG ASP A 20 -4.147 -22.142 87.773 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.391 -22.292 86.587 1.00 0.00 O ATOM 316 OD2 ASP A 20 -4.719 -22.743 88.668 1.00 0.00 O ATOM 0 H ASP A 20 -0.924 -20.006 88.723 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.542 -22.560 87.538 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.910 -21.149 89.243 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.370 -20.128 87.895 1.00 0.00 H new ATOM 321 N TYR A 21 -2.041 -19.931 85.583 1.00 0.00 N ATOM 322 CA TYR A 21 -2.234 -19.630 84.138 1.00 0.00 C ATOM 323 C TYR A 21 -1.049 -20.134 83.305 1.00 0.00 C ATOM 324 O TYR A 21 -1.240 -20.797 82.305 1.00 0.00 O ATOM 325 CB TYR A 21 -2.460 -18.132 83.934 1.00 0.00 C ATOM 326 CG TYR A 21 -1.161 -17.390 83.933 1.00 0.00 C ATOM 327 CD1 TYR A 21 -0.598 -17.036 85.146 1.00 0.00 C ATOM 328 CD2 TYR A 21 -0.528 -17.047 82.731 1.00 0.00 C ATOM 329 CE1 TYR A 21 0.598 -16.326 85.183 1.00 0.00 C ATOM 330 CE2 TYR A 21 0.678 -16.335 82.759 1.00 0.00 C ATOM 331 CZ TYR A 21 1.245 -15.978 83.990 1.00 0.00 C ATOM 332 OH TYR A 21 2.432 -15.276 84.026 1.00 0.00 O ATOM 0 H TYR A 21 -2.035 -19.125 86.208 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.122 -20.159 83.792 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.980 -17.964 82.991 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.103 -17.746 84.725 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.089 -17.312 86.068 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.968 -17.331 81.786 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.028 -16.043 86.132 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.169 -16.062 81.836 1.00 0.00 H new ATOM 0 HH TYR A 21 2.746 -15.118 83.111 1.00 0.00 H new ATOM 342 N VAL A 22 0.167 -19.855 83.689 1.00 0.00 N ATOM 343 CA VAL A 22 1.308 -20.363 82.874 1.00 0.00 C ATOM 344 C VAL A 22 1.370 -21.890 82.986 1.00 0.00 C ATOM 345 O VAL A 22 1.980 -22.556 82.173 1.00 0.00 O ATOM 346 CB VAL A 22 2.629 -19.724 83.328 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.098 -20.322 84.654 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.701 -19.958 82.258 1.00 0.00 C ATOM 0 H VAL A 22 0.417 -19.309 84.514 1.00 0.00 H new ATOM 0 HA VAL A 22 1.154 -20.089 81.830 1.00 0.00 H new ATOM 0 HB VAL A 22 2.466 -18.655 83.468 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.035 -19.853 84.954 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.343 -20.146 85.420 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.251 -21.395 84.535 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.639 -19.505 82.578 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.845 -21.029 82.115 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.382 -19.506 81.319 1.00 0.00 H new ATOM 358 N ALA A 23 0.714 -22.456 83.966 1.00 0.00 N ATOM 359 CA ALA A 23 0.720 -23.937 84.096 1.00 0.00 C ATOM 360 C ALA A 23 0.241 -24.511 82.773 1.00 0.00 C ATOM 361 O ALA A 23 0.537 -25.633 82.410 1.00 0.00 O ATOM 362 CB ALA A 23 -0.252 -24.362 85.199 1.00 0.00 C ATOM 0 H ALA A 23 0.178 -21.957 84.676 1.00 0.00 H new ATOM 0 HA ALA A 23 1.720 -24.294 84.345 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.245 -25.448 85.291 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.053 -23.915 86.145 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.258 -24.026 84.947 1.00 0.00 H new ATOM 368 N LYS A 24 -0.495 -23.719 82.047 1.00 0.00 N ATOM 369 CA LYS A 24 -1.017 -24.166 80.733 1.00 0.00 C ATOM 370 C LYS A 24 0.148 -24.597 79.833 1.00 0.00 C ATOM 371 O LYS A 24 0.423 -25.772 79.692 1.00 0.00 O ATOM 372 CB LYS A 24 -1.796 -23.016 80.075 1.00 0.00 C ATOM 373 CG LYS A 24 -3.259 -23.032 80.552 1.00 0.00 C ATOM 374 CD LYS A 24 -4.072 -24.065 79.748 1.00 0.00 C ATOM 375 CE LYS A 24 -5.138 -24.712 80.642 1.00 0.00 C ATOM 376 NZ LYS A 24 -6.027 -25.577 79.811 1.00 0.00 N ATOM 0 H LYS A 24 -0.759 -22.770 82.314 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.685 -25.015 80.875 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.333 -22.062 80.326 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.757 -23.113 78.990 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.300 -23.274 81.614 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.698 -22.041 80.434 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.547 -23.580 78.895 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.407 -24.831 79.349 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.662 -25.305 81.423 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.726 -23.942 81.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.750 -26.016 80.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.491 -24.999 79.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.460 -26.320 79.355 1.00 0.00 H new ATOM 390 N GLY A 25 0.830 -23.670 79.209 1.00 0.00 N ATOM 391 CA GLY A 25 1.956 -24.077 78.316 1.00 0.00 C ATOM 392 C GLY A 25 2.947 -22.930 78.073 1.00 0.00 C ATOM 393 O GLY A 25 2.942 -22.297 77.035 1.00 0.00 O ATOM 0 H GLY A 25 0.660 -22.667 79.277 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.482 -24.922 78.760 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.555 -24.417 77.361 1.00 0.00 H new ATOM 397 N GLU A 26 3.815 -22.695 79.019 1.00 0.00 N ATOM 398 CA GLU A 26 4.864 -21.629 78.886 1.00 0.00 C ATOM 399 C GLU A 26 4.373 -20.443 78.045 1.00 0.00 C ATOM 400 O GLU A 26 4.408 -20.469 76.831 1.00 0.00 O ATOM 401 CB GLU A 26 6.136 -22.218 78.255 1.00 0.00 C ATOM 402 CG GLU A 26 5.770 -23.212 77.150 1.00 0.00 C ATOM 403 CD GLU A 26 7.051 -23.737 76.495 1.00 0.00 C ATOM 404 OE1 GLU A 26 7.948 -24.128 77.223 1.00 0.00 O ATOM 405 OE2 GLU A 26 7.113 -23.739 75.277 1.00 0.00 O ATOM 0 H GLU A 26 3.846 -23.206 79.901 1.00 0.00 H new ATOM 0 HA GLU A 26 5.084 -21.260 79.888 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.751 -21.417 77.844 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.732 -22.717 79.019 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.195 -24.040 77.566 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.139 -22.728 76.405 1.00 0.00 H new ATOM 412 N ASP A 27 3.955 -19.389 78.694 1.00 0.00 N ATOM 413 CA ASP A 27 3.494 -18.170 77.964 1.00 0.00 C ATOM 414 C ASP A 27 4.008 -16.946 78.727 1.00 0.00 C ATOM 415 O ASP A 27 3.306 -15.972 78.916 1.00 0.00 O ATOM 416 CB ASP A 27 1.960 -18.142 77.917 1.00 0.00 C ATOM 417 CG ASP A 27 1.455 -19.060 76.800 1.00 0.00 C ATOM 418 OD1 ASP A 27 2.243 -19.847 76.301 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.285 -18.961 76.464 1.00 0.00 O ATOM 0 H ASP A 27 3.913 -19.319 79.711 1.00 0.00 H new ATOM 0 HA ASP A 27 3.873 -18.172 76.942 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.552 -18.463 78.876 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.611 -17.123 77.748 1.00 0.00 H new ATOM 424 N VAL A 28 5.230 -17.011 79.190 1.00 0.00 N ATOM 425 CA VAL A 28 5.805 -15.882 79.974 1.00 0.00 C ATOM 426 C VAL A 28 6.469 -14.868 79.048 1.00 0.00 C ATOM 427 O VAL A 28 7.678 -14.768 78.967 1.00 0.00 O ATOM 428 CB VAL A 28 6.824 -16.451 80.955 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.065 -17.284 81.986 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.829 -17.347 80.216 1.00 0.00 C ATOM 0 H VAL A 28 5.857 -17.804 79.056 1.00 0.00 H new ATOM 0 HA VAL A 28 5.012 -15.367 80.515 1.00 0.00 H new ATOM 0 HB VAL A 28 7.372 -15.641 81.437 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.769 -17.705 82.703 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.349 -16.651 82.510 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.534 -18.091 81.482 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.551 -17.747 80.927 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.299 -18.169 79.736 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.351 -16.761 79.460 1.00 0.00 H new ATOM 440 N ASN A 29 5.677 -14.107 78.354 1.00 0.00 N ATOM 441 CA ASN A 29 6.229 -13.093 77.435 1.00 0.00 C ATOM 442 C ASN A 29 5.068 -12.306 76.819 1.00 0.00 C ATOM 443 O ASN A 29 5.127 -11.871 75.686 1.00 0.00 O ATOM 444 CB ASN A 29 7.026 -13.800 76.340 1.00 0.00 C ATOM 445 CG ASN A 29 6.325 -15.103 75.953 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.473 -16.160 76.704 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 5.637 -15.162 74.954 1.00 0.00 N flip ATOM 0 H ASN A 29 4.658 -14.148 78.388 1.00 0.00 H new ATOM 0 HA ASN A 29 6.887 -12.407 77.970 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.118 -13.152 75.468 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.037 -14.009 76.690 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.520 -14.337 74.366 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.176 -16.037 74.703 1.00 0.00 H new ATOM 454 N ARG A 30 4.012 -12.123 77.570 1.00 0.00 N ATOM 455 CA ARG A 30 2.833 -11.369 77.064 1.00 0.00 C ATOM 456 C ARG A 30 2.763 -10.026 77.778 1.00 0.00 C ATOM 457 O ARG A 30 3.014 -9.929 78.963 1.00 0.00 O ATOM 458 CB ARG A 30 1.552 -12.154 77.361 1.00 0.00 C ATOM 459 CG ARG A 30 1.710 -13.598 76.883 1.00 0.00 C ATOM 460 CD ARG A 30 0.340 -14.279 76.852 1.00 0.00 C ATOM 461 NE ARG A 30 -0.414 -13.971 78.112 1.00 0.00 N ATOM 462 CZ ARG A 30 0.082 -14.240 79.291 1.00 0.00 C ATOM 463 NH1 ARG A 30 1.171 -14.949 79.405 1.00 0.00 N ATOM 464 NH2 ARG A 30 -0.546 -13.844 80.365 1.00 0.00 N ATOM 0 H ARG A 30 3.919 -12.470 78.525 1.00 0.00 H new ATOM 0 HA ARG A 30 2.930 -11.222 75.988 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.342 -12.136 78.431 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.703 -11.686 76.862 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.159 -13.616 75.890 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.383 -14.141 77.547 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.226 -13.936 75.986 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.463 -15.357 76.746 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.337 -13.541 78.047 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.642 -15.298 78.570 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.551 -15.154 80.329 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.421 -13.326 80.282 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.162 -14.052 81.287 1.00 0.00 H new ATOM 478 N THR A 31 2.413 -8.992 77.079 1.00 0.00 N ATOM 479 CA THR A 31 2.318 -7.668 77.741 1.00 0.00 C ATOM 480 C THR A 31 1.393 -7.801 78.949 1.00 0.00 C ATOM 481 O THR A 31 0.419 -8.526 78.919 1.00 0.00 O ATOM 482 CB THR A 31 1.751 -6.637 76.766 1.00 0.00 C ATOM 483 OG1 THR A 31 2.535 -6.630 75.582 1.00 0.00 O ATOM 484 CG2 THR A 31 1.787 -5.254 77.414 1.00 0.00 C ATOM 0 H THR A 31 2.189 -9.003 76.084 1.00 0.00 H new ATOM 0 HA THR A 31 3.307 -7.338 78.059 1.00 0.00 H new ATOM 0 HB THR A 31 0.721 -6.893 76.517 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.173 -5.971 74.954 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.383 -4.517 76.720 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.187 -5.263 78.324 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.817 -4.994 77.660 1.00 0.00 H new ATOM 492 N LEU A 32 1.701 -7.128 80.013 1.00 0.00 N ATOM 493 CA LEU A 32 0.857 -7.231 81.231 1.00 0.00 C ATOM 494 C LEU A 32 -0.565 -6.747 80.930 1.00 0.00 C ATOM 495 O LEU A 32 -1.188 -7.152 79.967 1.00 0.00 O ATOM 496 CB LEU A 32 1.481 -6.365 82.330 1.00 0.00 C ATOM 497 CG LEU A 32 1.041 -6.858 83.722 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.161 -7.681 84.371 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.725 -5.653 84.618 1.00 0.00 C ATOM 0 H LEU A 32 2.506 -6.506 80.095 1.00 0.00 H new ATOM 0 HA LEU A 32 0.805 -8.270 81.558 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.568 -6.397 82.253 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.183 -5.325 82.195 1.00 0.00 H new ATOM 0 HG LEU A 32 0.154 -7.481 83.608 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.838 -8.024 85.354 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.390 -8.542 83.744 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.052 -7.063 84.477 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.414 -6.003 85.602 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.615 -5.031 84.719 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.078 -5.068 84.171 1.00 0.00 H new ATOM 511 N GLU A 33 -1.080 -5.898 81.768 1.00 0.00 N ATOM 512 CA GLU A 33 -2.461 -5.383 81.581 1.00 0.00 C ATOM 513 C GLU A 33 -2.487 -4.267 80.525 1.00 0.00 C ATOM 514 O GLU A 33 -3.540 -3.877 80.062 1.00 0.00 O ATOM 515 CB GLU A 33 -2.961 -4.863 82.938 1.00 0.00 C ATOM 516 CG GLU A 33 -4.163 -3.928 82.764 1.00 0.00 C ATOM 517 CD GLU A 33 -3.679 -2.516 82.415 1.00 0.00 C ATOM 518 OE1 GLU A 33 -2.852 -1.995 83.144 1.00 0.00 O ATOM 519 OE2 GLU A 33 -4.153 -1.978 81.428 1.00 0.00 O ATOM 0 H GLU A 33 -0.595 -5.533 82.588 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.113 -6.180 81.224 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.240 -5.704 83.572 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.156 -4.333 83.447 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.816 -4.303 81.976 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.752 -3.904 83.681 1.00 0.00 H new ATOM 526 N GLY A 34 -1.352 -3.737 80.131 1.00 0.00 N ATOM 527 CA GLY A 34 -1.382 -2.646 79.109 1.00 0.00 C ATOM 528 C GLY A 34 -0.054 -2.538 78.354 1.00 0.00 C ATOM 529 O GLY A 34 0.037 -2.869 77.189 1.00 0.00 O ATOM 0 H GLY A 34 -0.427 -4.006 80.465 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.189 -2.834 78.400 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.601 -1.696 79.597 1.00 0.00 H new ATOM 533 N GLY A 35 0.964 -2.041 79.000 1.00 0.00 N ATOM 534 CA GLY A 35 2.286 -1.869 78.318 1.00 0.00 C ATOM 535 C GLY A 35 3.425 -2.349 79.224 1.00 0.00 C ATOM 536 O GLY A 35 4.571 -1.994 79.027 1.00 0.00 O ATOM 0 H GLY A 35 0.941 -1.744 79.976 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.295 -2.431 77.384 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.435 -0.820 78.061 1.00 0.00 H new ATOM 540 N ARG A 36 3.123 -3.154 80.208 1.00 0.00 N ATOM 541 CA ARG A 36 4.192 -3.661 81.122 1.00 0.00 C ATOM 542 C ARG A 36 4.390 -5.166 80.889 1.00 0.00 C ATOM 543 O ARG A 36 3.852 -5.736 79.957 1.00 0.00 O ATOM 544 CB ARG A 36 3.783 -3.413 82.582 1.00 0.00 C ATOM 545 CG ARG A 36 3.391 -1.939 82.779 1.00 0.00 C ATOM 546 CD ARG A 36 4.638 -1.045 82.777 1.00 0.00 C ATOM 547 NE ARG A 36 5.092 -0.814 81.377 1.00 0.00 N ATOM 548 CZ ARG A 36 5.923 0.158 81.112 1.00 0.00 C ATOM 549 NH1 ARG A 36 6.340 0.939 82.071 1.00 0.00 N ATOM 550 NH2 ARG A 36 6.334 0.351 79.888 1.00 0.00 N ATOM 0 H ARG A 36 2.181 -3.484 80.420 1.00 0.00 H new ATOM 0 HA ARG A 36 5.125 -3.136 80.917 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.946 -4.058 82.848 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.607 -3.670 83.247 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.712 -1.628 81.985 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.854 -1.822 83.721 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.415 -0.093 83.258 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.434 -1.515 83.354 1.00 0.00 H new ATOM 0 HE ARG A 36 4.754 -1.415 80.625 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.017 0.790 83.027 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.989 1.698 81.865 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.006 -0.258 79.138 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.983 1.110 79.682 1.00 0.00 H new ATOM 564 N LYS A 37 5.169 -5.806 81.727 1.00 0.00 N ATOM 565 CA LYS A 37 5.429 -7.276 81.575 1.00 0.00 C ATOM 566 C LYS A 37 5.327 -7.946 82.969 1.00 0.00 C ATOM 567 O LYS A 37 5.448 -7.269 83.969 1.00 0.00 O ATOM 568 CB LYS A 37 6.832 -7.483 80.956 1.00 0.00 C ATOM 569 CG LYS A 37 7.847 -6.448 81.487 1.00 0.00 C ATOM 570 CD LYS A 37 8.463 -6.969 82.789 1.00 0.00 C ATOM 571 CE LYS A 37 9.387 -5.919 83.421 1.00 0.00 C ATOM 572 NZ LYS A 37 8.862 -4.545 83.172 1.00 0.00 N ATOM 0 H LYS A 37 5.642 -5.370 82.519 1.00 0.00 H new ATOM 0 HA LYS A 37 4.693 -7.732 80.913 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.185 -8.489 81.183 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.766 -7.405 79.871 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.627 -6.273 80.746 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.353 -5.492 81.661 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.671 -7.231 83.491 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.026 -7.881 82.589 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.468 -6.095 84.494 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.391 -6.012 83.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.327 -3.874 83.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.057 -4.272 82.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.835 -4.530 83.338 1.00 0.00 H new ATOM 586 N PRO A 38 5.060 -9.246 83.017 1.00 0.00 N ATOM 587 CA PRO A 38 4.908 -9.969 84.315 1.00 0.00 C ATOM 588 C PRO A 38 6.236 -10.116 85.126 1.00 0.00 C ATOM 589 O PRO A 38 6.445 -11.126 85.767 1.00 0.00 O ATOM 590 CB PRO A 38 4.369 -11.357 83.899 1.00 0.00 C ATOM 591 CG PRO A 38 4.612 -11.511 82.379 1.00 0.00 C ATOM 592 CD PRO A 38 4.861 -10.098 81.815 1.00 0.00 C ATOM 0 HA PRO A 38 4.252 -9.417 84.988 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.878 -12.147 84.451 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.307 -11.441 84.128 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.468 -12.158 82.189 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.751 -11.972 81.896 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.736 -10.079 81.166 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.015 -9.754 81.220 1.00 0.00 H new ATOM 600 N LEU A 39 7.122 -9.130 85.135 1.00 0.00 N ATOM 601 CA LEU A 39 8.407 -9.272 85.941 1.00 0.00 C ATOM 602 C LEU A 39 8.632 -8.014 86.800 1.00 0.00 C ATOM 603 O LEU A 39 9.312 -8.052 87.807 1.00 0.00 O ATOM 604 CB LEU A 39 9.584 -9.419 84.962 1.00 0.00 C ATOM 605 CG LEU A 39 10.853 -10.110 85.561 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.627 -10.816 86.907 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.358 -11.152 84.559 1.00 0.00 C ATOM 0 H LEU A 39 7.019 -8.249 84.632 1.00 0.00 H new ATOM 0 HA LEU A 39 8.334 -10.144 86.591 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.250 -9.992 84.097 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.863 -8.429 84.600 1.00 0.00 H new ATOM 0 HG LEU A 39 11.572 -9.312 85.746 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.561 -11.265 87.244 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.286 -10.091 87.646 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.873 -11.594 86.788 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.244 -11.644 84.961 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.579 -11.894 84.382 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.611 -10.661 83.620 1.00 0.00 H new ATOM 619 N HIS A 40 8.081 -6.897 86.407 1.00 0.00 N ATOM 620 CA HIS A 40 8.296 -5.649 87.199 1.00 0.00 C ATOM 621 C HIS A 40 7.581 -5.771 88.542 1.00 0.00 C ATOM 622 O HIS A 40 8.144 -5.498 89.585 1.00 0.00 O ATOM 623 CB HIS A 40 7.721 -4.459 86.426 1.00 0.00 C ATOM 624 CG HIS A 40 7.865 -3.207 87.245 1.00 0.00 C ATOM 625 ND1 HIS A 40 9.082 -2.802 87.771 1.00 0.00 N ATOM 626 CD2 HIS A 40 6.954 -2.257 87.635 1.00 0.00 C ATOM 627 CE1 HIS A 40 8.872 -1.654 88.440 1.00 0.00 C ATOM 628 NE2 HIS A 40 7.592 -1.277 88.389 1.00 0.00 N ATOM 0 H HIS A 40 7.495 -6.793 85.578 1.00 0.00 H new ATOM 0 HA HIS A 40 9.363 -5.500 87.367 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.241 -4.345 85.475 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.670 -4.636 86.196 1.00 0.00 H new ATOM 0 HD1 HIS A 40 9.974 -3.286 87.669 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.901 -2.269 87.393 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.645 -1.104 88.956 1.00 0.00 H new ATOM 636 N TYR A 41 6.352 -6.197 88.526 1.00 0.00 N ATOM 637 CA TYR A 41 5.604 -6.357 89.802 1.00 0.00 C ATOM 638 C TYR A 41 6.250 -7.480 90.589 1.00 0.00 C ATOM 639 O TYR A 41 6.396 -7.413 91.793 1.00 0.00 O ATOM 640 CB TYR A 41 4.157 -6.715 89.494 1.00 0.00 C ATOM 641 CG TYR A 41 3.645 -5.743 88.474 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.005 -5.891 87.132 1.00 0.00 C ATOM 643 CD2 TYR A 41 2.825 -4.684 88.870 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.548 -4.973 86.182 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.365 -3.768 87.922 1.00 0.00 C ATOM 646 CZ TYR A 41 2.724 -3.913 86.577 1.00 0.00 C ATOM 647 OH TYR A 41 2.271 -3.005 85.643 1.00 0.00 O ATOM 0 H TYR A 41 5.832 -6.442 87.684 1.00 0.00 H new ATOM 0 HA TYR A 41 5.627 -5.432 90.378 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.089 -7.735 89.116 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.552 -6.670 90.400 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.636 -6.714 86.829 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.547 -4.574 89.908 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.830 -5.082 85.145 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.732 -2.948 88.227 1.00 0.00 H new ATOM 0 HH TYR A 41 1.710 -2.334 86.085 1.00 0.00 H new ATOM 657 N ALA A 42 6.671 -8.503 89.909 1.00 0.00 N ATOM 658 CA ALA A 42 7.346 -9.612 90.609 1.00 0.00 C ATOM 659 C ALA A 42 8.664 -9.057 91.134 1.00 0.00 C ATOM 660 O ALA A 42 8.879 -8.931 92.321 1.00 0.00 O ATOM 661 CB ALA A 42 7.605 -10.750 89.614 1.00 0.00 C ATOM 0 H ALA A 42 6.575 -8.616 88.900 1.00 0.00 H new ATOM 0 HA ALA A 42 6.741 -10.005 91.426 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.104 -11.573 90.125 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.657 -11.098 89.205 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.239 -10.388 88.804 1.00 0.00 H new ATOM 667 N ALA A 43 9.525 -8.674 90.243 1.00 0.00 N ATOM 668 CA ALA A 43 10.823 -8.086 90.660 1.00 0.00 C ATOM 669 C ALA A 43 10.577 -6.989 91.708 1.00 0.00 C ATOM 670 O ALA A 43 11.032 -7.073 92.833 1.00 0.00 O ATOM 671 CB ALA A 43 11.480 -7.459 89.426 1.00 0.00 C ATOM 0 H ALA A 43 9.386 -8.743 89.235 1.00 0.00 H new ATOM 0 HA ALA A 43 11.464 -8.856 91.088 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.437 -7.019 89.707 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.642 -8.227 88.670 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.829 -6.684 89.022 1.00 0.00 H new ATOM 677 N ASP A 44 9.872 -5.957 91.332 1.00 0.00 N ATOM 678 CA ASP A 44 9.599 -4.827 92.271 1.00 0.00 C ATOM 679 C ASP A 44 8.983 -5.315 93.593 1.00 0.00 C ATOM 680 O ASP A 44 9.291 -4.794 94.646 1.00 0.00 O ATOM 681 CB ASP A 44 8.635 -3.844 91.602 1.00 0.00 C ATOM 682 CG ASP A 44 8.531 -2.573 92.446 1.00 0.00 C ATOM 683 OD1 ASP A 44 8.041 -2.663 93.560 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.939 -1.530 91.963 1.00 0.00 O ATOM 0 H ASP A 44 9.468 -5.846 90.402 1.00 0.00 H new ATOM 0 HA ASP A 44 10.548 -4.344 92.502 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.987 -3.599 90.600 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.652 -4.301 91.492 1.00 0.00 H new ATOM 689 N CYS A 45 8.105 -6.285 93.558 1.00 0.00 N ATOM 690 CA CYS A 45 7.469 -6.755 94.832 1.00 0.00 C ATOM 691 C CYS A 45 6.917 -8.171 94.656 1.00 0.00 C ATOM 692 O CYS A 45 5.726 -8.394 94.752 1.00 0.00 O ATOM 693 CB CYS A 45 6.291 -5.842 95.178 1.00 0.00 C ATOM 694 SG CYS A 45 6.868 -4.150 95.465 1.00 0.00 S ATOM 0 H CYS A 45 7.802 -6.769 92.713 1.00 0.00 H new ATOM 0 HA CYS A 45 8.222 -6.739 95.620 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.564 -5.852 94.366 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.782 -6.215 96.067 1.00 0.00 H new ATOM 0 HG CYS A 45 8.167 -4.121 95.420 1.00 0.00 H new ATOM 700 N GLY A 46 7.769 -9.125 94.402 1.00 0.00 N ATOM 701 CA GLY A 46 7.296 -10.533 94.217 1.00 0.00 C ATOM 702 C GLY A 46 7.787 -11.403 95.372 1.00 0.00 C ATOM 703 O GLY A 46 7.893 -12.608 95.249 1.00 0.00 O ATOM 0 H GLY A 46 8.777 -8.993 94.314 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.207 -10.557 94.170 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.665 -10.928 93.270 1.00 0.00 H new ATOM 707 N GLN A 47 8.111 -10.813 96.487 1.00 0.00 N ATOM 708 CA GLN A 47 8.624 -11.626 97.619 1.00 0.00 C ATOM 709 C GLN A 47 9.855 -12.383 97.106 1.00 0.00 C ATOM 710 O GLN A 47 10.390 -13.271 97.741 1.00 0.00 O ATOM 711 CB GLN A 47 7.523 -12.573 98.116 1.00 0.00 C ATOM 712 CG GLN A 47 6.164 -11.869 97.976 1.00 0.00 C ATOM 713 CD GLN A 47 5.191 -12.340 99.059 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.492 -13.229 99.830 1.00 0.00 O ATOM 715 NE2 GLN A 47 4.023 -11.763 99.142 1.00 0.00 N ATOM 0 H GLN A 47 8.043 -9.810 96.662 1.00 0.00 H new ATOM 0 HA GLN A 47 8.910 -11.007 98.469 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.531 -13.497 97.538 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.701 -12.846 99.156 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.300 -10.790 98.048 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.744 -12.073 96.991 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.775 -11.017 98.492 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.358 -12.058 99.857 1.00 0.00 H new ATOM 724 N LEU A 48 10.315 -11.955 95.952 1.00 0.00 N ATOM 725 CA LEU A 48 11.539 -12.505 95.293 1.00 0.00 C ATOM 726 C LEU A 48 11.406 -13.981 94.878 1.00 0.00 C ATOM 727 O LEU A 48 12.345 -14.584 94.393 1.00 0.00 O ATOM 728 CB LEU A 48 12.735 -12.313 96.206 1.00 0.00 C ATOM 729 CG LEU A 48 13.048 -10.801 96.448 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.196 -9.821 95.599 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.825 -10.470 97.926 1.00 0.00 C ATOM 0 H LEU A 48 9.866 -11.211 95.418 1.00 0.00 H new ATOM 0 HA LEU A 48 11.679 -11.948 94.366 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.544 -12.801 97.162 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.607 -12.799 95.768 1.00 0.00 H new ATOM 0 HG LEU A 48 14.085 -10.662 96.143 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.481 -8.795 95.832 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.368 -10.013 94.540 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.140 -9.965 95.827 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.042 -9.416 98.100 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.788 -10.676 98.192 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.486 -11.082 98.540 1.00 0.00 H new ATOM 743 N GLU A 49 10.254 -14.539 95.007 1.00 0.00 N ATOM 744 CA GLU A 49 10.040 -15.944 94.553 1.00 0.00 C ATOM 745 C GLU A 49 9.365 -15.895 93.187 1.00 0.00 C ATOM 746 O GLU A 49 9.639 -16.684 92.303 1.00 0.00 O ATOM 747 CB GLU A 49 9.146 -16.688 95.550 1.00 0.00 C ATOM 748 CG GLU A 49 8.356 -15.675 96.376 1.00 0.00 C ATOM 749 CD GLU A 49 7.345 -16.407 97.259 1.00 0.00 C ATOM 750 OE1 GLU A 49 7.773 -17.072 98.190 1.00 0.00 O ATOM 751 OE2 GLU A 49 6.160 -16.289 96.994 1.00 0.00 O ATOM 0 H GLU A 49 9.434 -14.087 95.411 1.00 0.00 H new ATOM 0 HA GLU A 49 10.992 -16.471 94.489 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.464 -17.352 95.019 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.754 -17.313 96.205 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.035 -15.087 96.994 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.840 -14.977 95.717 1.00 0.00 H new ATOM 758 N ILE A 50 8.480 -14.963 93.022 1.00 0.00 N ATOM 759 CA ILE A 50 7.759 -14.839 91.737 1.00 0.00 C ATOM 760 C ILE A 50 8.730 -14.501 90.597 1.00 0.00 C ATOM 761 O ILE A 50 8.721 -15.146 89.566 1.00 0.00 O ATOM 762 CB ILE A 50 6.686 -13.739 91.870 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.785 -14.051 93.116 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.889 -13.656 90.559 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.265 -13.892 92.862 1.00 0.00 C ATOM 0 H ILE A 50 8.223 -14.275 93.730 1.00 0.00 H new ATOM 0 HA ILE A 50 7.284 -15.790 91.499 1.00 0.00 H new ATOM 0 HB ILE A 50 7.139 -12.761 92.036 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.981 -15.072 93.445 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.075 -13.391 93.934 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.128 -12.880 90.644 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.564 -13.414 89.738 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.409 -14.615 90.363 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.717 -14.127 93.775 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.051 -12.865 92.564 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.956 -14.572 92.068 1.00 0.00 H new ATOM 777 N LEU A 51 9.547 -13.492 90.738 1.00 0.00 N ATOM 778 CA LEU A 51 10.447 -13.149 89.605 1.00 0.00 C ATOM 779 C LEU A 51 11.136 -14.407 89.053 1.00 0.00 C ATOM 780 O LEU A 51 11.012 -14.712 87.883 1.00 0.00 O ATOM 781 CB LEU A 51 11.504 -12.066 89.953 1.00 0.00 C ATOM 782 CG LEU A 51 11.770 -11.896 91.457 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.496 -11.477 92.205 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.359 -13.189 92.029 1.00 0.00 C ATOM 0 H LEU A 51 9.629 -12.904 91.568 1.00 0.00 H new ATOM 0 HA LEU A 51 9.805 -12.718 88.837 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.441 -12.319 89.457 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.175 -11.110 89.545 1.00 0.00 H new ATOM 0 HG LEU A 51 12.496 -11.095 91.596 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.717 -11.365 93.266 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.136 -10.528 91.807 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.729 -12.240 92.073 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.546 -13.063 93.095 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.655 -14.007 91.878 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.296 -13.418 91.521 1.00 0.00 H new ATOM 796 N GLU A 52 11.864 -15.138 89.848 1.00 0.00 N ATOM 797 CA GLU A 52 12.545 -16.347 89.293 1.00 0.00 C ATOM 798 C GLU A 52 11.532 -17.347 88.715 1.00 0.00 C ATOM 799 O GLU A 52 11.871 -18.162 87.880 1.00 0.00 O ATOM 800 CB GLU A 52 13.391 -17.037 90.365 1.00 0.00 C ATOM 801 CG GLU A 52 12.594 -17.230 91.657 1.00 0.00 C ATOM 802 CD GLU A 52 11.684 -18.460 91.544 1.00 0.00 C ATOM 803 OE1 GLU A 52 11.795 -19.171 90.558 1.00 0.00 O ATOM 804 OE2 GLU A 52 10.894 -18.671 92.451 1.00 0.00 O ATOM 0 H GLU A 52 12.018 -14.959 90.840 1.00 0.00 H new ATOM 0 HA GLU A 52 13.196 -16.008 88.487 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.732 -18.005 89.997 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.281 -16.442 90.569 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.276 -17.350 92.498 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.994 -16.343 91.858 1.00 0.00 H new ATOM 811 N PHE A 53 10.303 -17.315 89.159 1.00 0.00 N ATOM 812 CA PHE A 53 9.307 -18.294 88.638 1.00 0.00 C ATOM 813 C PHE A 53 9.102 -18.120 87.127 1.00 0.00 C ATOM 814 O PHE A 53 9.681 -18.829 86.331 1.00 0.00 O ATOM 815 CB PHE A 53 7.964 -18.110 89.353 1.00 0.00 C ATOM 816 CG PHE A 53 6.923 -18.953 88.658 1.00 0.00 C ATOM 817 CD1 PHE A 53 7.076 -20.345 88.600 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.818 -18.344 88.055 1.00 0.00 C ATOM 819 CE1 PHE A 53 6.124 -21.124 87.934 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.864 -19.124 87.394 1.00 0.00 C ATOM 821 CZ PHE A 53 5.016 -20.514 87.333 1.00 0.00 C ATOM 0 H PHE A 53 9.949 -16.658 89.854 1.00 0.00 H new ATOM 0 HA PHE A 53 9.692 -19.296 88.828 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.050 -18.404 90.399 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.670 -17.060 89.340 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.928 -20.815 89.069 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.701 -17.271 88.100 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.244 -22.196 87.883 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.010 -18.654 86.930 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.279 -21.116 86.822 1.00 0.00 H new ATOM 831 N LEU A 54 8.250 -17.214 86.731 1.00 0.00 N ATOM 832 CA LEU A 54 7.966 -17.021 85.277 1.00 0.00 C ATOM 833 C LEU A 54 9.263 -16.814 84.475 1.00 0.00 C ATOM 834 O LEU A 54 9.250 -16.761 83.260 1.00 0.00 O ATOM 835 CB LEU A 54 6.990 -15.839 85.085 1.00 0.00 C ATOM 836 CG LEU A 54 7.541 -14.464 85.563 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.491 -14.603 86.739 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.271 -13.735 84.431 1.00 0.00 C ATOM 0 H LEU A 54 7.734 -16.594 87.355 1.00 0.00 H new ATOM 0 HA LEU A 54 7.495 -17.926 84.892 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.732 -15.765 84.029 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.068 -16.054 85.625 1.00 0.00 H new ATOM 0 HG LEU A 54 6.673 -13.885 85.878 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.849 -13.617 87.036 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.969 -15.067 87.576 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.339 -15.225 86.451 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.644 -12.778 84.796 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.107 -14.343 84.086 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.582 -13.564 83.604 1.00 0.00 H new ATOM 850 N LEU A 55 10.377 -16.737 85.145 1.00 0.00 N ATOM 851 CA LEU A 55 11.683 -16.567 84.448 1.00 0.00 C ATOM 852 C LEU A 55 12.266 -17.953 84.150 1.00 0.00 C ATOM 853 O LEU A 55 12.852 -18.189 83.111 1.00 0.00 O ATOM 854 CB LEU A 55 12.618 -15.778 85.372 1.00 0.00 C ATOM 855 CG LEU A 55 13.690 -15.041 84.566 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.519 -14.166 85.516 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.600 -16.054 83.858 1.00 0.00 C ATOM 0 H LEU A 55 10.440 -16.785 86.162 1.00 0.00 H new ATOM 0 HA LEU A 55 11.561 -16.027 83.509 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.040 -15.062 85.955 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.093 -16.457 86.081 1.00 0.00 H new ATOM 0 HG LEU A 55 13.214 -14.412 83.813 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.285 -13.638 84.949 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.867 -13.443 86.006 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.994 -14.795 86.269 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.361 -15.522 83.286 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.082 -16.690 84.600 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.004 -16.670 83.184 1.00 0.00 H new ATOM 869 N LEU A 56 12.096 -18.876 85.055 1.00 0.00 N ATOM 870 CA LEU A 56 12.624 -20.247 84.827 1.00 0.00 C ATOM 871 C LEU A 56 11.892 -20.877 83.633 1.00 0.00 C ATOM 872 O LEU A 56 12.472 -21.620 82.866 1.00 0.00 O ATOM 873 CB LEU A 56 12.501 -21.091 86.121 1.00 0.00 C ATOM 874 CG LEU A 56 11.219 -21.948 86.157 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.475 -23.327 85.530 1.00 0.00 C ATOM 876 CD2 LEU A 56 10.796 -22.158 87.620 1.00 0.00 C ATOM 0 H LEU A 56 11.614 -18.739 85.943 1.00 0.00 H new ATOM 0 HA LEU A 56 13.685 -20.209 84.581 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.370 -21.743 86.208 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.513 -20.427 86.985 1.00 0.00 H new ATOM 0 HG LEU A 56 10.440 -21.432 85.596 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.560 -23.918 85.564 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.788 -23.203 84.493 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.259 -23.840 86.087 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.890 -22.763 87.654 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.594 -22.669 88.160 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.604 -21.191 88.086 1.00 0.00 H new ATOM 888 N LYS A 57 10.643 -20.541 83.433 1.00 0.00 N ATOM 889 CA LYS A 57 9.910 -21.080 82.251 1.00 0.00 C ATOM 890 C LYS A 57 10.572 -20.462 81.012 1.00 0.00 C ATOM 891 O LYS A 57 11.574 -20.947 80.521 1.00 0.00 O ATOM 892 CB LYS A 57 8.420 -20.675 82.323 1.00 0.00 C ATOM 893 CG LYS A 57 7.554 -21.859 82.789 1.00 0.00 C ATOM 894 CD LYS A 57 7.825 -22.151 84.266 1.00 0.00 C ATOM 895 CE LYS A 57 6.797 -23.160 84.789 1.00 0.00 C ATOM 896 NZ LYS A 57 5.495 -22.473 85.024 1.00 0.00 N ATOM 0 H LYS A 57 10.102 -19.920 84.035 1.00 0.00 H new ATOM 0 HA LYS A 57 9.954 -22.169 82.217 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.299 -19.837 83.010 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.083 -20.335 81.344 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.499 -21.629 82.642 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.775 -22.741 82.188 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.833 -22.547 84.390 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.771 -21.229 84.845 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.668 -23.969 84.070 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.154 -23.611 85.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.723 -23.168 84.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.503 -22.025 85.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.350 -21.746 84.295 1.00 0.00 H new ATOM 910 N GLY A 58 10.056 -19.360 80.545 1.00 0.00 N ATOM 911 CA GLY A 58 10.687 -18.669 79.393 1.00 0.00 C ATOM 912 C GLY A 58 11.750 -17.735 79.967 1.00 0.00 C ATOM 913 O GLY A 58 12.668 -18.176 80.628 1.00 0.00 O ATOM 0 H GLY A 58 9.220 -18.908 80.915 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.134 -19.389 78.708 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.945 -18.108 78.825 1.00 0.00 H new ATOM 917 N ALA A 59 11.624 -16.451 79.761 1.00 0.00 N ATOM 918 CA ALA A 59 12.628 -15.517 80.346 1.00 0.00 C ATOM 919 C ALA A 59 12.407 -14.090 79.855 1.00 0.00 C ATOM 920 O ALA A 59 13.062 -13.617 78.944 1.00 0.00 O ATOM 921 CB ALA A 59 14.037 -15.970 79.985 1.00 0.00 C ATOM 0 H ALA A 59 10.879 -16.013 79.220 1.00 0.00 H new ATOM 0 HA ALA A 59 12.507 -15.530 81.429 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.763 -15.281 80.417 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.209 -16.972 80.378 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.149 -15.982 78.901 1.00 0.00 H new ATOM 927 N ASP A 60 11.518 -13.388 80.494 1.00 0.00 N ATOM 928 CA ASP A 60 11.275 -11.969 80.134 1.00 0.00 C ATOM 929 C ASP A 60 12.413 -11.164 80.755 1.00 0.00 C ATOM 930 O ASP A 60 12.437 -9.950 80.741 1.00 0.00 O ATOM 931 CB ASP A 60 9.933 -11.519 80.712 1.00 0.00 C ATOM 932 CG ASP A 60 9.659 -10.073 80.298 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.177 -9.183 80.952 1.00 0.00 O ATOM 934 OD2 ASP A 60 8.939 -9.881 79.333 1.00 0.00 O ATOM 0 H ASP A 60 10.943 -13.742 81.259 1.00 0.00 H new ATOM 0 HA ASP A 60 11.242 -11.828 79.054 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.134 -12.169 80.354 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.947 -11.601 81.799 1.00 0.00 H new ATOM 939 N ILE A 61 13.347 -11.879 81.315 1.00 0.00 N ATOM 940 CA ILE A 61 14.528 -11.269 81.984 1.00 0.00 C ATOM 941 C ILE A 61 15.266 -10.324 81.042 1.00 0.00 C ATOM 942 O ILE A 61 15.917 -9.386 81.465 1.00 0.00 O ATOM 943 CB ILE A 61 15.469 -12.410 82.355 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.552 -11.895 83.299 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.113 -12.983 81.079 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.667 -12.940 83.427 1.00 0.00 C ATOM 0 H ILE A 61 13.339 -12.899 81.337 1.00 0.00 H new ATOM 0 HA ILE A 61 14.203 -10.700 82.855 1.00 0.00 H new ATOM 0 HB ILE A 61 14.905 -13.198 82.855 1.00 0.00 H new ATOM 0 HG12 ILE A 61 16.961 -10.958 82.922 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.124 -11.685 84.279 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.785 -13.798 81.345 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.334 -13.357 80.415 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.676 -12.199 80.572 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.438 -12.568 84.102 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.253 -13.867 83.824 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.103 -13.129 82.446 1.00 0.00 H new ATOM 958 N ASN A 62 15.182 -10.586 79.774 1.00 0.00 N ATOM 959 CA ASN A 62 15.888 -9.742 78.780 1.00 0.00 C ATOM 960 C ASN A 62 14.917 -9.355 77.661 1.00 0.00 C ATOM 961 O ASN A 62 14.954 -8.254 77.150 1.00 0.00 O ATOM 962 CB ASN A 62 17.089 -10.528 78.208 1.00 0.00 C ATOM 963 CG ASN A 62 16.654 -11.921 77.735 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.438 -12.337 77.966 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.435 -12.641 77.146 1.00 0.00 N flip ATOM 0 H ASN A 62 14.647 -11.359 79.378 1.00 0.00 H new ATOM 0 HA ASN A 62 16.255 -8.832 79.255 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.527 -9.977 77.376 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.863 -10.623 78.970 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.386 -12.320 76.963 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.140 -13.566 76.834 1.00 0.00 H new ATOM 972 N ALA A 63 14.036 -10.256 77.302 1.00 0.00 N ATOM 973 CA ALA A 63 13.027 -9.991 76.218 1.00 0.00 C ATOM 974 C ALA A 63 12.808 -8.476 75.961 1.00 0.00 C ATOM 975 O ALA A 63 13.013 -8.040 74.844 1.00 0.00 O ATOM 976 CB ALA A 63 11.692 -10.679 76.566 1.00 0.00 C ATOM 0 H ALA A 63 13.969 -11.184 77.721 1.00 0.00 H new ATOM 0 HA ALA A 63 13.425 -10.410 75.294 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.965 -10.483 75.777 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.849 -11.754 76.656 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.316 -10.287 77.511 1.00 0.00 H new ATOM 982 N PRO A 64 12.449 -7.694 76.981 1.00 0.00 N ATOM 983 CA PRO A 64 12.196 -6.246 76.858 1.00 0.00 C ATOM 984 C PRO A 64 12.716 -5.605 75.558 1.00 0.00 C ATOM 985 O PRO A 64 13.804 -5.873 75.087 1.00 0.00 O ATOM 986 CB PRO A 64 12.903 -5.728 78.121 1.00 0.00 C ATOM 987 CG PRO A 64 12.802 -6.903 79.149 1.00 0.00 C ATOM 988 CD PRO A 64 12.236 -8.121 78.369 1.00 0.00 C ATOM 0 HA PRO A 64 11.137 -5.996 76.792 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.942 -5.471 77.915 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.422 -4.827 78.502 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.780 -7.133 79.573 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.149 -6.637 79.980 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.769 -9.043 78.602 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.183 -8.297 78.588 1.00 0.00 H new ATOM 996 N ASP A 65 11.892 -4.765 74.975 1.00 0.00 N ATOM 997 CA ASP A 65 12.257 -4.080 73.704 1.00 0.00 C ATOM 998 C ASP A 65 11.746 -2.637 73.755 1.00 0.00 C ATOM 999 O ASP A 65 12.486 -1.700 73.534 1.00 0.00 O ATOM 1000 CB ASP A 65 11.612 -4.817 72.521 1.00 0.00 C ATOM 1001 CG ASP A 65 12.446 -6.054 72.174 1.00 0.00 C ATOM 1002 OD1 ASP A 65 13.658 -5.929 72.118 1.00 0.00 O ATOM 1003 OD2 ASP A 65 11.857 -7.103 71.971 1.00 0.00 O ATOM 0 H ASP A 65 10.969 -4.525 75.336 1.00 0.00 H new ATOM 0 HA ASP A 65 13.340 -4.082 73.578 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.593 -5.111 72.774 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.548 -4.155 71.658 1.00 0.00 H new ATOM 1008 N LYS A 66 10.490 -2.452 74.062 1.00 0.00 N ATOM 1009 CA LYS A 66 9.931 -1.082 74.145 1.00 0.00 C ATOM 1010 C LYS A 66 10.208 -0.517 75.540 1.00 0.00 C ATOM 1011 O LYS A 66 10.168 0.676 75.765 1.00 0.00 O ATOM 1012 CB LYS A 66 8.431 -1.163 73.905 1.00 0.00 C ATOM 1013 CG LYS A 66 7.884 0.228 73.607 1.00 0.00 C ATOM 1014 CD LYS A 66 8.046 0.570 72.119 1.00 0.00 C ATOM 1015 CE LYS A 66 7.262 1.849 71.806 1.00 0.00 C ATOM 1016 NZ LYS A 66 7.510 2.255 70.393 1.00 0.00 N ATOM 0 H LYS A 66 9.826 -3.201 74.260 1.00 0.00 H new ATOM 0 HA LYS A 66 10.388 -0.432 73.399 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.222 -1.833 73.071 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.934 -1.580 74.781 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.831 0.276 73.883 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.407 0.967 74.214 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.100 0.708 71.878 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.683 -0.253 71.503 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.197 1.683 71.965 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.565 2.648 72.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.977 3.123 70.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.526 2.430 70.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.200 1.495 69.754 1.00 0.00 H new ATOM 1030 N HIS A 67 10.508 -1.379 76.469 1.00 0.00 N ATOM 1031 CA HIS A 67 10.812 -0.938 77.853 1.00 0.00 C ATOM 1032 C HIS A 67 12.262 -0.460 77.906 1.00 0.00 C ATOM 1033 O HIS A 67 12.724 0.054 78.905 1.00 0.00 O ATOM 1034 CB HIS A 67 10.624 -2.131 78.785 1.00 0.00 C ATOM 1035 CG HIS A 67 9.389 -2.891 78.381 1.00 0.00 C ATOM 1036 ND1 HIS A 67 8.287 -2.267 77.819 1.00 0.00 N ATOM 1037 CD2 HIS A 67 9.066 -4.223 78.459 1.00 0.00 C ATOM 1038 CE1 HIS A 67 7.360 -3.214 77.586 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.785 -4.424 77.956 1.00 0.00 N ATOM 0 H HIS A 67 10.556 -2.387 76.323 1.00 0.00 H new ATOM 0 HA HIS A 67 10.153 -0.125 78.157 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.497 -2.783 78.740 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.534 -1.790 79.816 1.00 0.00 H new ATOM 0 HD2 HIS A 67 9.709 -4.997 78.851 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.390 -3.019 77.152 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.279 -5.307 77.885 1.00 0.00 H new ATOM 1047 N HIS A 68 12.974 -0.623 76.824 1.00 0.00 N ATOM 1048 CA HIS A 68 14.396 -0.185 76.781 1.00 0.00 C ATOM 1049 C HIS A 68 15.096 -0.565 78.087 1.00 0.00 C ATOM 1050 O HIS A 68 16.124 -0.016 78.431 1.00 0.00 O ATOM 1051 CB HIS A 68 14.450 1.333 76.597 1.00 0.00 C ATOM 1052 CG HIS A 68 13.586 1.727 75.430 1.00 0.00 C ATOM 1053 ND1 HIS A 68 13.452 0.928 74.306 1.00 0.00 N ATOM 1054 CD2 HIS A 68 12.804 2.832 75.200 1.00 0.00 C ATOM 1055 CE1 HIS A 68 12.620 1.559 73.457 1.00 0.00 C ATOM 1056 NE2 HIS A 68 12.195 2.724 73.954 1.00 0.00 N ATOM 0 H HIS A 68 12.628 -1.044 75.962 1.00 0.00 H new ATOM 0 HA HIS A 68 14.901 -0.676 75.949 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.106 1.832 77.503 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.478 1.653 76.427 1.00 0.00 H new ATOM 0 HD1 HIS A 68 13.902 0.026 74.150 1.00 0.00 H new ATOM 0 HD2 HIS A 68 12.680 3.659 75.883 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.331 1.171 72.491 1.00 0.00 H new ATOM 1064 N ILE A 69 14.556 -1.510 78.816 1.00 0.00 N ATOM 1065 CA ILE A 69 15.211 -1.917 80.086 1.00 0.00 C ATOM 1066 C ILE A 69 14.831 -3.338 80.456 1.00 0.00 C ATOM 1067 O ILE A 69 13.833 -3.883 80.016 1.00 0.00 O ATOM 1068 CB ILE A 69 14.824 -0.942 81.224 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.101 -0.427 81.890 1.00 0.00 C ATOM 1070 CG2 ILE A 69 13.926 -1.589 82.307 1.00 0.00 C ATOM 1071 CD1 ILE A 69 16.879 -1.585 82.530 1.00 0.00 C ATOM 0 H ILE A 69 13.698 -2.010 78.585 1.00 0.00 H new ATOM 0 HA ILE A 69 16.291 -1.879 79.943 1.00 0.00 H new ATOM 0 HB ILE A 69 14.250 -0.134 80.770 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.726 0.075 81.151 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.849 0.313 82.650 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.692 -0.851 83.074 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.002 -1.942 81.850 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.451 -2.430 82.760 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.784 -1.200 82.999 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.257 -2.068 83.284 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.148 -2.310 81.762 1.00 0.00 H new ATOM 1083 N THR A 70 15.662 -3.930 81.251 1.00 0.00 N ATOM 1084 CA THR A 70 15.443 -5.310 81.727 1.00 0.00 C ATOM 1085 C THR A 70 15.106 -5.206 83.208 1.00 0.00 C ATOM 1086 O THR A 70 15.306 -4.163 83.798 1.00 0.00 O ATOM 1087 CB THR A 70 16.719 -6.096 81.494 1.00 0.00 C ATOM 1088 OG1 THR A 70 16.809 -7.122 82.468 1.00 0.00 O ATOM 1089 CG2 THR A 70 17.895 -5.125 81.598 1.00 0.00 C ATOM 0 H THR A 70 16.516 -3.497 81.603 1.00 0.00 H new ATOM 0 HA THR A 70 14.634 -5.820 81.204 1.00 0.00 H new ATOM 0 HB THR A 70 16.728 -6.562 80.509 1.00 0.00 H new ATOM 0 HG1 THR A 70 16.835 -7.995 82.023 1.00 0.00 H new ATOM 0 HG21 THR A 70 18.828 -5.664 81.434 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.790 -4.344 80.844 1.00 0.00 H new ATOM 0 HG23 THR A 70 17.907 -4.673 82.590 1.00 0.00 H new ATOM 1097 N PRO A 71 14.519 -6.215 83.771 1.00 0.00 N ATOM 1098 CA PRO A 71 14.044 -6.139 85.160 1.00 0.00 C ATOM 1099 C PRO A 71 15.156 -6.142 86.217 1.00 0.00 C ATOM 1100 O PRO A 71 14.892 -5.827 87.360 1.00 0.00 O ATOM 1101 CB PRO A 71 13.124 -7.358 85.289 1.00 0.00 C ATOM 1102 CG PRO A 71 12.979 -7.935 83.857 1.00 0.00 C ATOM 1103 CD PRO A 71 14.243 -7.507 83.126 1.00 0.00 C ATOM 0 HA PRO A 71 13.544 -5.190 85.352 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.549 -8.098 85.967 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.153 -7.074 85.696 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.884 -9.021 83.877 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.088 -7.546 83.364 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.058 -8.218 83.262 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.084 -7.406 82.052 1.00 0.00 H new ATOM 1111 N LEU A 72 16.376 -6.477 85.910 1.00 0.00 N ATOM 1112 CA LEU A 72 17.366 -6.448 87.009 1.00 0.00 C ATOM 1113 C LEU A 72 17.389 -5.042 87.604 1.00 0.00 C ATOM 1114 O LEU A 72 17.431 -4.869 88.806 1.00 0.00 O ATOM 1115 CB LEU A 72 18.804 -6.827 86.575 1.00 0.00 C ATOM 1116 CG LEU A 72 18.903 -7.674 85.283 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.854 -8.802 85.212 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.814 -6.761 84.055 1.00 0.00 C ATOM 0 H LEU A 72 16.717 -6.757 84.990 1.00 0.00 H new ATOM 0 HA LEU A 72 17.052 -7.199 87.734 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.377 -5.910 86.434 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.278 -7.377 87.388 1.00 0.00 H new ATOM 0 HG LEU A 72 19.873 -8.171 85.298 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.979 -9.357 84.282 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.987 -9.477 86.058 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.853 -8.371 85.246 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.884 -7.362 83.149 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.862 -6.229 84.065 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.632 -6.041 84.077 1.00 0.00 H new ATOM 1130 N LEU A 73 17.355 -4.031 86.792 1.00 0.00 N ATOM 1131 CA LEU A 73 17.385 -2.657 87.360 1.00 0.00 C ATOM 1132 C LEU A 73 16.058 -2.356 88.031 1.00 0.00 C ATOM 1133 O LEU A 73 15.956 -1.488 88.879 1.00 0.00 O ATOM 1134 CB LEU A 73 17.687 -1.638 86.269 1.00 0.00 C ATOM 1135 CG LEU A 73 18.955 -2.097 85.544 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.620 -3.156 84.477 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.653 -0.872 84.931 1.00 0.00 C ATOM 0 H LEU A 73 17.308 -4.090 85.775 1.00 0.00 H new ATOM 0 HA LEU A 73 18.177 -2.593 88.106 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.852 -1.565 85.572 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.830 -0.647 86.700 1.00 0.00 H new ATOM 0 HG LEU A 73 19.635 -2.567 86.254 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.535 -3.468 83.974 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.156 -4.019 84.954 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.931 -2.731 83.746 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.557 -1.190 84.413 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.981 -0.386 84.223 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.916 -0.170 85.722 1.00 0.00 H new ATOM 1149 N SER A 74 15.038 -3.074 87.683 1.00 0.00 N ATOM 1150 CA SER A 74 13.737 -2.829 88.338 1.00 0.00 C ATOM 1151 C SER A 74 13.889 -3.059 89.852 1.00 0.00 C ATOM 1152 O SER A 74 13.487 -2.239 90.661 1.00 0.00 O ATOM 1153 CB SER A 74 12.672 -3.758 87.746 1.00 0.00 C ATOM 1154 OG SER A 74 11.417 -3.472 88.348 1.00 0.00 O ATOM 0 H SER A 74 15.048 -3.813 86.980 1.00 0.00 H new ATOM 0 HA SER A 74 13.419 -1.801 88.166 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.611 -3.620 86.666 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.943 -4.799 87.919 1.00 0.00 H new ATOM 0 HG SER A 74 11.552 -2.890 89.125 1.00 0.00 H new ATOM 1160 N ALA A 75 14.485 -4.158 90.247 1.00 0.00 N ATOM 1161 CA ALA A 75 14.669 -4.425 91.715 1.00 0.00 C ATOM 1162 C ALA A 75 15.739 -3.486 92.296 1.00 0.00 C ATOM 1163 O ALA A 75 15.658 -3.076 93.436 1.00 0.00 O ATOM 1164 CB ALA A 75 15.084 -5.883 91.935 1.00 0.00 C ATOM 0 H ALA A 75 14.851 -4.879 89.625 1.00 0.00 H new ATOM 0 HA ALA A 75 13.723 -4.242 92.225 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.215 -6.067 93.001 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.310 -6.544 91.545 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.022 -6.077 91.415 1.00 0.00 H new ATOM 1170 N VAL A 76 16.736 -3.143 91.520 1.00 0.00 N ATOM 1171 CA VAL A 76 17.815 -2.224 92.010 1.00 0.00 C ATOM 1172 C VAL A 76 17.184 -1.070 92.776 1.00 0.00 C ATOM 1173 O VAL A 76 17.290 -0.982 93.985 1.00 0.00 O ATOM 1174 CB VAL A 76 18.587 -1.710 90.777 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.474 -0.482 91.065 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.479 -2.838 90.279 1.00 0.00 C ATOM 0 H VAL A 76 16.852 -3.462 90.558 1.00 0.00 H new ATOM 0 HA VAL A 76 18.500 -2.741 92.683 1.00 0.00 H new ATOM 0 HB VAL A 76 17.847 -1.399 90.040 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.984 -0.179 90.151 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.853 0.339 91.423 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.212 -0.737 91.825 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.038 -2.501 89.406 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.175 -3.126 91.067 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.864 -3.696 90.008 1.00 0.00 H new ATOM 1186 N TYR A 77 16.519 -0.185 92.092 1.00 0.00 N ATOM 1187 CA TYR A 77 15.888 0.956 92.806 1.00 0.00 C ATOM 1188 C TYR A 77 14.669 0.450 93.599 1.00 0.00 C ATOM 1189 O TYR A 77 13.592 0.997 93.496 1.00 0.00 O ATOM 1190 CB TYR A 77 15.443 2.042 91.803 1.00 0.00 C ATOM 1191 CG TYR A 77 16.205 1.923 90.504 1.00 0.00 C ATOM 1192 CD1 TYR A 77 15.715 1.101 89.485 1.00 0.00 C ATOM 1193 CD2 TYR A 77 17.386 2.650 90.311 1.00 0.00 C ATOM 1194 CE1 TYR A 77 16.405 1.001 88.274 1.00 0.00 C ATOM 1195 CE2 TYR A 77 18.078 2.548 89.100 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.587 1.724 88.081 1.00 0.00 C ATOM 1197 OH TYR A 77 18.270 1.625 86.886 1.00 0.00 O ATOM 0 H TYR A 77 16.386 -0.201 91.081 1.00 0.00 H new ATOM 0 HA TYR A 77 16.616 1.392 93.489 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.374 1.949 91.612 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.605 3.030 92.235 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.802 0.543 89.634 1.00 0.00 H new ATOM 0 HD2 TYR A 77 17.762 3.289 91.096 1.00 0.00 H new ATOM 0 HE1 TYR A 77 16.026 0.366 87.487 1.00 0.00 H new ATOM 0 HE2 TYR A 77 18.991 3.105 88.951 1.00 0.00 H new ATOM 0 HH TYR A 77 18.467 2.523 86.546 1.00 0.00 H new ATOM 1207 N GLU A 78 14.822 -0.591 94.387 1.00 0.00 N ATOM 1208 CA GLU A 78 13.654 -1.111 95.166 1.00 0.00 C ATOM 1209 C GLU A 78 14.059 -1.358 96.621 1.00 0.00 C ATOM 1210 O GLU A 78 13.255 -1.269 97.527 1.00 0.00 O ATOM 1211 CB GLU A 78 13.205 -2.441 94.553 1.00 0.00 C ATOM 1212 CG GLU A 78 11.721 -2.680 94.846 1.00 0.00 C ATOM 1213 CD GLU A 78 10.878 -1.821 93.901 1.00 0.00 C ATOM 1214 OE1 GLU A 78 11.275 -1.665 92.758 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.850 -1.332 94.338 1.00 0.00 O ATOM 0 H GLU A 78 15.697 -1.097 94.522 1.00 0.00 H new ATOM 0 HA GLU A 78 12.847 -0.379 95.134 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.374 -2.430 93.476 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.801 -3.258 94.961 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.477 -3.734 94.714 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.497 -2.428 95.883 1.00 0.00 H new ATOM 1222 N GLY A 79 15.291 -1.709 96.838 1.00 0.00 N ATOM 1223 CA GLY A 79 15.747 -2.016 98.216 1.00 0.00 C ATOM 1224 C GLY A 79 15.594 -3.520 98.409 1.00 0.00 C ATOM 1225 O GLY A 79 15.949 -4.073 99.431 1.00 0.00 O ATOM 0 H GLY A 79 16.006 -1.797 96.116 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.784 -1.712 98.356 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.154 -1.470 98.950 1.00 0.00 H new ATOM 1229 N HIS A 80 15.075 -4.187 97.407 1.00 0.00 N ATOM 1230 CA HIS A 80 14.898 -5.660 97.501 1.00 0.00 C ATOM 1231 C HIS A 80 16.245 -6.322 97.235 1.00 0.00 C ATOM 1232 O HIS A 80 16.764 -7.041 98.062 1.00 0.00 O ATOM 1233 CB HIS A 80 13.880 -6.124 96.454 1.00 0.00 C ATOM 1234 CG HIS A 80 12.503 -6.059 97.043 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.758 -7.201 97.256 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.730 -5.016 97.489 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.595 -6.832 97.812 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.523 -5.507 97.976 1.00 0.00 N ATOM 0 H HIS A 80 14.767 -3.769 96.529 1.00 0.00 H new ATOM 0 HA HIS A 80 14.534 -5.933 98.492 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.939 -5.493 95.567 1.00 0.00 H new ATOM 0 HB3 HIS A 80 14.105 -7.142 96.137 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.015 -3.975 97.465 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.812 -7.521 98.093 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.750 -4.972 98.372 1.00 0.00 H new ATOM 1246 N VAL A 81 16.823 -6.052 96.092 1.00 0.00 N ATOM 1247 CA VAL A 81 18.157 -6.622 95.747 1.00 0.00 C ATOM 1248 C VAL A 81 18.349 -8.029 96.352 1.00 0.00 C ATOM 1249 O VAL A 81 19.442 -8.573 96.393 1.00 0.00 O ATOM 1250 CB VAL A 81 19.236 -5.618 96.193 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.454 -4.565 95.086 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.751 -4.875 97.444 1.00 0.00 C ATOM 0 H VAL A 81 16.419 -5.451 95.374 1.00 0.00 H new ATOM 0 HA VAL A 81 18.239 -6.767 94.670 1.00 0.00 H new ATOM 0 HB VAL A 81 20.159 -6.161 96.395 1.00 0.00 H new ATOM 0 HG11 VAL A 81 20.218 -3.856 95.404 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.778 -5.061 94.171 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.521 -4.034 94.900 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.513 -4.163 97.763 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.828 -4.341 97.215 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.567 -5.592 98.244 1.00 0.00 H new ATOM 1262 N SER A 82 17.267 -8.664 96.720 1.00 0.00 N ATOM 1263 CA SER A 82 17.333 -10.068 97.200 1.00 0.00 C ATOM 1264 C SER A 82 17.186 -10.912 95.943 1.00 0.00 C ATOM 1265 O SER A 82 17.668 -12.022 95.841 1.00 0.00 O ATOM 1266 CB SER A 82 16.181 -10.342 98.170 1.00 0.00 C ATOM 1267 OG SER A 82 15.798 -11.707 98.079 1.00 0.00 O ATOM 0 H SER A 82 16.330 -8.260 96.707 1.00 0.00 H new ATOM 0 HA SER A 82 18.258 -10.287 97.734 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.486 -10.106 99.189 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.333 -9.699 97.935 1.00 0.00 H new ATOM 0 HG SER A 82 15.453 -12.008 98.945 1.00 0.00 H new ATOM 1273 N CYS A 83 16.518 -10.339 94.973 1.00 0.00 N ATOM 1274 CA CYS A 83 16.310 -11.021 93.672 1.00 0.00 C ATOM 1275 C CYS A 83 17.524 -10.766 92.770 1.00 0.00 C ATOM 1276 O CYS A 83 18.012 -11.666 92.116 1.00 0.00 O ATOM 1277 CB CYS A 83 15.040 -10.475 93.007 1.00 0.00 C ATOM 1278 SG CYS A 83 15.404 -8.925 92.143 1.00 0.00 S ATOM 0 H CYS A 83 16.103 -9.409 95.036 1.00 0.00 H new ATOM 0 HA CYS A 83 16.197 -12.094 93.830 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.645 -11.208 92.304 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.269 -10.308 93.760 1.00 0.00 H new ATOM 0 HG CYS A 83 14.482 -8.696 91.256 1.00 0.00 H new ATOM 1284 N VAL A 84 18.024 -9.544 92.738 1.00 0.00 N ATOM 1285 CA VAL A 84 19.219 -9.245 91.882 1.00 0.00 C ATOM 1286 C VAL A 84 20.223 -10.374 92.061 1.00 0.00 C ATOM 1287 O VAL A 84 20.813 -10.860 91.115 1.00 0.00 O ATOM 1288 CB VAL A 84 19.877 -7.938 92.321 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.886 -6.782 92.161 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.321 -8.081 93.780 1.00 0.00 C ATOM 0 H VAL A 84 17.657 -8.751 93.264 1.00 0.00 H new ATOM 0 HA VAL A 84 18.906 -9.153 90.842 1.00 0.00 H new ATOM 0 HB VAL A 84 20.748 -7.724 91.701 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.359 -5.851 92.475 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.586 -6.702 91.116 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.007 -6.968 92.778 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.793 -7.155 94.109 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.453 -8.288 94.406 1.00 0.00 H new ATOM 0 HG23 VAL A 84 21.033 -8.902 93.865 1.00 0.00 H new ATOM 1300 N LYS A 85 20.401 -10.800 93.280 1.00 0.00 N ATOM 1301 CA LYS A 85 21.340 -11.914 93.555 1.00 0.00 C ATOM 1302 C LYS A 85 20.782 -13.180 92.878 1.00 0.00 C ATOM 1303 O LYS A 85 21.449 -13.855 92.113 1.00 0.00 O ATOM 1304 CB LYS A 85 21.432 -12.087 95.086 1.00 0.00 C ATOM 1305 CG LYS A 85 22.807 -11.619 95.597 1.00 0.00 C ATOM 1306 CD LYS A 85 22.718 -11.252 97.085 1.00 0.00 C ATOM 1307 CE LYS A 85 24.120 -10.962 97.633 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.793 -12.245 97.985 1.00 0.00 N ATOM 0 H LYS A 85 19.931 -10.419 94.101 1.00 0.00 H new ATOM 0 HA LYS A 85 22.338 -11.719 93.164 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.642 -11.514 95.571 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.275 -13.133 95.350 1.00 0.00 H new ATOM 0 HG2 LYS A 85 23.545 -12.408 95.452 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.144 -10.757 95.021 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.079 -10.379 97.216 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.261 -12.069 97.644 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.708 -10.423 96.890 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.053 -10.321 98.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.744 -12.048 98.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.235 -12.743 98.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.870 -12.841 97.136 1.00 0.00 H new ATOM 1322 N LEU A 86 19.546 -13.472 93.139 1.00 0.00 N ATOM 1323 CA LEU A 86 18.877 -14.652 92.527 1.00 0.00 C ATOM 1324 C LEU A 86 18.789 -14.473 91.004 1.00 0.00 C ATOM 1325 O LEU A 86 18.449 -15.384 90.275 1.00 0.00 O ATOM 1326 CB LEU A 86 17.470 -14.691 93.112 1.00 0.00 C ATOM 1327 CG LEU A 86 16.971 -16.117 93.281 1.00 0.00 C ATOM 1328 CD1 LEU A 86 15.630 -16.041 94.002 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.795 -16.785 91.910 1.00 0.00 C ATOM 0 H LEU A 86 18.953 -12.930 93.767 1.00 0.00 H new ATOM 0 HA LEU A 86 19.428 -15.570 92.731 1.00 0.00 H new ATOM 0 HB2 LEU A 86 17.463 -14.186 94.078 1.00 0.00 H new ATOM 0 HB3 LEU A 86 16.790 -14.142 92.461 1.00 0.00 H new ATOM 0 HG LEU A 86 17.686 -16.710 93.851 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.236 -17.047 94.144 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.765 -15.564 94.973 1.00 0.00 H new ATOM 0 HD13 LEU A 86 14.929 -15.457 93.406 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.437 -17.806 92.046 1.00 0.00 H new ATOM 0 HD22 LEU A 86 16.071 -16.222 91.321 1.00 0.00 H new ATOM 0 HD23 LEU A 86 17.752 -16.802 91.388 1.00 0.00 H new ATOM 1341 N LEU A 87 19.043 -13.288 90.531 1.00 0.00 N ATOM 1342 CA LEU A 87 18.909 -13.016 89.073 1.00 0.00 C ATOM 1343 C LEU A 87 20.101 -13.526 88.257 1.00 0.00 C ATOM 1344 O LEU A 87 19.985 -14.499 87.538 1.00 0.00 O ATOM 1345 CB LEU A 87 18.754 -11.505 88.890 1.00 0.00 C ATOM 1346 CG LEU A 87 17.360 -11.189 88.347 1.00 0.00 C ATOM 1347 CD1 LEU A 87 17.169 -9.670 88.334 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.204 -11.751 86.928 1.00 0.00 C ATOM 0 H LEU A 87 19.339 -12.491 91.094 1.00 0.00 H new ATOM 0 HA LEU A 87 18.036 -13.553 88.701 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.907 -10.997 89.842 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.515 -11.133 88.204 1.00 0.00 H new ATOM 0 HG LEU A 87 16.605 -11.651 88.984 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.178 -9.431 87.948 1.00 0.00 H new ATOM 0 HD12 LEU A 87 17.267 -9.282 89.348 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.926 -9.214 87.696 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.207 -11.519 86.553 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.951 -11.301 86.274 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.342 -12.832 86.948 1.00 0.00 H new ATOM 1360 N LEU A 88 21.227 -12.872 88.309 1.00 0.00 N ATOM 1361 CA LEU A 88 22.356 -13.346 87.469 1.00 0.00 C ATOM 1362 C LEU A 88 22.570 -14.835 87.690 1.00 0.00 C ATOM 1363 O LEU A 88 23.235 -15.500 86.919 1.00 0.00 O ATOM 1364 CB LEU A 88 23.640 -12.549 87.736 1.00 0.00 C ATOM 1365 CG LEU A 88 24.246 -12.840 89.122 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.169 -12.729 90.197 1.00 0.00 C ATOM 1367 CD2 LEU A 88 24.892 -14.239 89.168 1.00 0.00 C ATOM 0 H LEU A 88 21.411 -12.049 88.883 1.00 0.00 H new ATOM 0 HA LEU A 88 22.099 -13.180 86.423 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.375 -12.785 86.966 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.424 -11.484 87.655 1.00 0.00 H new ATOM 0 HG LEU A 88 25.024 -12.101 89.311 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.607 -12.936 91.173 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.753 -11.722 90.192 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.377 -13.450 89.994 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.311 -14.414 90.159 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.137 -14.996 88.954 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.686 -14.298 88.423 1.00 0.00 H new ATOM 1379 N SER A 89 21.972 -15.377 88.710 1.00 0.00 N ATOM 1380 CA SER A 89 22.105 -16.834 88.936 1.00 0.00 C ATOM 1381 C SER A 89 21.583 -17.527 87.679 1.00 0.00 C ATOM 1382 O SER A 89 21.781 -18.707 87.460 1.00 0.00 O ATOM 1383 CB SER A 89 21.266 -17.250 90.147 1.00 0.00 C ATOM 1384 OG SER A 89 21.516 -18.618 90.446 1.00 0.00 O ATOM 0 H SER A 89 21.401 -14.876 89.391 1.00 0.00 H new ATOM 0 HA SER A 89 23.142 -17.108 89.131 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.514 -16.627 91.006 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.207 -17.099 89.939 1.00 0.00 H new ATOM 0 HG SER A 89 20.981 -18.886 91.222 1.00 0.00 H new ATOM 1390 N LYS A 90 20.911 -16.765 86.854 1.00 0.00 N ATOM 1391 CA LYS A 90 20.344 -17.292 85.587 1.00 0.00 C ATOM 1392 C LYS A 90 21.079 -16.651 84.401 1.00 0.00 C ATOM 1393 O LYS A 90 21.110 -17.188 83.311 1.00 0.00 O ATOM 1394 CB LYS A 90 18.860 -16.921 85.540 1.00 0.00 C ATOM 1395 CG LYS A 90 18.072 -17.869 86.449 1.00 0.00 C ATOM 1396 CD LYS A 90 16.685 -17.282 86.762 1.00 0.00 C ATOM 1397 CE LYS A 90 16.736 -16.483 88.069 1.00 0.00 C ATOM 1398 NZ LYS A 90 17.134 -17.384 89.186 1.00 0.00 N ATOM 0 H LYS A 90 20.730 -15.774 87.015 1.00 0.00 H new ATOM 0 HA LYS A 90 20.460 -18.374 85.533 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.721 -15.889 85.863 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.489 -16.987 84.517 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.962 -18.840 85.965 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.621 -18.035 87.376 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.361 -16.638 85.945 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.952 -18.084 86.845 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.447 -15.662 87.978 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.762 -16.039 88.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.316 -17.549 89.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.464 -18.291 88.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.900 -16.942 89.733 1.00 0.00 H new ATOM 1412 N GLY A 91 21.679 -15.507 84.615 1.00 0.00 N ATOM 1413 CA GLY A 91 22.426 -14.818 83.519 1.00 0.00 C ATOM 1414 C GLY A 91 22.132 -13.312 83.554 1.00 0.00 C ATOM 1415 O GLY A 91 22.718 -12.571 84.320 1.00 0.00 O ATOM 0 H GLY A 91 21.683 -15.017 85.510 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.496 -14.991 83.632 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.136 -15.232 82.553 1.00 0.00 H new ATOM 1419 N ALA A 92 21.221 -12.860 82.735 1.00 0.00 N ATOM 1420 CA ALA A 92 20.861 -11.407 82.713 1.00 0.00 C ATOM 1421 C ALA A 92 22.114 -10.530 82.650 1.00 0.00 C ATOM 1422 O ALA A 92 22.019 -9.320 82.713 1.00 0.00 O ATOM 1423 CB ALA A 92 20.079 -11.062 83.989 1.00 0.00 C ATOM 0 H ALA A 92 20.704 -13.439 82.073 1.00 0.00 H new ATOM 0 HA ALA A 92 20.255 -11.216 81.827 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.814 -10.005 83.979 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.171 -11.663 84.033 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.696 -11.273 84.862 1.00 0.00 H new ATOM 1429 N ASP A 93 23.280 -11.109 82.522 1.00 0.00 N ATOM 1430 CA ASP A 93 24.511 -10.274 82.470 1.00 0.00 C ATOM 1431 C ASP A 93 24.334 -9.131 83.466 1.00 0.00 C ATOM 1432 O ASP A 93 24.354 -9.336 84.665 1.00 0.00 O ATOM 1433 CB ASP A 93 24.693 -9.747 81.041 1.00 0.00 C ATOM 1434 CG ASP A 93 25.567 -10.721 80.236 1.00 0.00 C ATOM 1435 OD1 ASP A 93 26.773 -10.703 80.424 1.00 0.00 O ATOM 1436 OD2 ASP A 93 25.013 -11.463 79.441 1.00 0.00 O ATOM 0 H ASP A 93 23.430 -12.115 82.452 1.00 0.00 H new ATOM 0 HA ASP A 93 25.400 -10.847 82.733 1.00 0.00 H new ATOM 0 HB2 ASP A 93 23.722 -9.632 80.559 1.00 0.00 H new ATOM 0 HB3 ASP A 93 25.157 -8.761 81.063 1.00 0.00 H new ATOM 1441 N LYS A 94 24.134 -7.943 83.000 1.00 0.00 N ATOM 1442 CA LYS A 94 23.907 -6.819 83.940 1.00 0.00 C ATOM 1443 C LYS A 94 23.452 -5.597 83.139 1.00 0.00 C ATOM 1444 O LYS A 94 22.707 -4.769 83.619 1.00 0.00 O ATOM 1445 CB LYS A 94 25.182 -6.519 84.737 1.00 0.00 C ATOM 1446 CG LYS A 94 24.965 -5.279 85.621 1.00 0.00 C ATOM 1447 CD LYS A 94 23.856 -5.528 86.679 1.00 0.00 C ATOM 1448 CE LYS A 94 22.518 -4.862 86.285 1.00 0.00 C ATOM 1449 NZ LYS A 94 21.736 -4.566 87.524 1.00 0.00 N ATOM 0 H LYS A 94 24.117 -7.697 82.010 1.00 0.00 H new ATOM 0 HA LYS A 94 23.132 -7.085 84.659 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.445 -7.377 85.356 1.00 0.00 H new ATOM 0 HB3 LYS A 94 26.016 -6.350 84.056 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.897 -5.019 86.122 1.00 0.00 H new ATOM 0 HG3 LYS A 94 24.691 -4.428 84.997 1.00 0.00 H new ATOM 0 HD2 LYS A 94 23.705 -6.601 86.800 1.00 0.00 H new ATOM 0 HD3 LYS A 94 24.183 -5.141 87.644 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.705 -3.943 85.729 1.00 0.00 H new ATOM 0 HE3 LYS A 94 21.949 -5.521 85.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.865 -4.057 87.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 21.490 -5.457 88.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 22.308 -3.978 88.163 1.00 0.00 H new ATOM 1463 N THR A 95 23.883 -5.491 81.906 1.00 0.00 N ATOM 1464 CA THR A 95 23.470 -4.337 81.057 1.00 0.00 C ATOM 1465 C THR A 95 22.904 -4.869 79.746 1.00 0.00 C ATOM 1466 O THR A 95 23.303 -4.466 78.670 1.00 0.00 O ATOM 1467 CB THR A 95 24.680 -3.448 80.775 1.00 0.00 C ATOM 1468 OG1 THR A 95 25.795 -4.261 80.433 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.002 -2.633 82.027 1.00 0.00 C ATOM 0 H THR A 95 24.506 -6.159 81.452 1.00 0.00 H new ATOM 0 HA THR A 95 22.712 -3.749 81.574 1.00 0.00 H new ATOM 0 HB THR A 95 24.460 -2.775 79.947 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.571 -3.691 80.250 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.865 -1.995 81.834 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.144 -2.013 82.288 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.227 -3.308 82.853 1.00 0.00 H new ATOM 1477 N VAL A 96 21.981 -5.781 79.832 1.00 0.00 N ATOM 1478 CA VAL A 96 21.396 -6.356 78.601 1.00 0.00 C ATOM 1479 C VAL A 96 20.472 -5.338 77.926 1.00 0.00 C ATOM 1480 O VAL A 96 20.077 -5.522 76.794 1.00 0.00 O ATOM 1481 CB VAL A 96 20.582 -7.597 78.962 1.00 0.00 C ATOM 1482 CG1 VAL A 96 19.970 -8.192 77.694 1.00 0.00 C ATOM 1483 CG2 VAL A 96 21.496 -8.631 79.621 1.00 0.00 C ATOM 0 H VAL A 96 21.608 -6.152 80.706 1.00 0.00 H new ATOM 0 HA VAL A 96 22.203 -6.618 77.917 1.00 0.00 H new ATOM 0 HB VAL A 96 19.786 -7.321 79.654 1.00 0.00 H new ATOM 0 HG11 VAL A 96 19.389 -9.078 77.951 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.319 -7.455 77.224 1.00 0.00 H new ATOM 0 HG13 VAL A 96 20.765 -8.468 77.001 1.00 0.00 H new ATOM 0 HG21 VAL A 96 20.916 -9.517 79.879 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.292 -8.907 78.929 1.00 0.00 H new ATOM 0 HG23 VAL A 96 21.933 -8.207 80.525 1.00 0.00 H new ATOM 1493 N LYS A 97 20.118 -4.261 78.583 1.00 0.00 N ATOM 1494 CA LYS A 97 19.219 -3.277 77.901 1.00 0.00 C ATOM 1495 C LYS A 97 19.230 -1.906 78.597 1.00 0.00 C ATOM 1496 O LYS A 97 18.577 -0.986 78.148 1.00 0.00 O ATOM 1497 CB LYS A 97 17.793 -3.835 77.862 1.00 0.00 C ATOM 1498 CG LYS A 97 17.031 -3.280 76.642 1.00 0.00 C ATOM 1499 CD LYS A 97 17.299 -4.148 75.406 1.00 0.00 C ATOM 1500 CE LYS A 97 16.517 -3.587 74.214 1.00 0.00 C ATOM 1501 NZ LYS A 97 17.085 -2.265 73.825 1.00 0.00 N ATOM 0 H LYS A 97 20.402 -4.024 79.534 1.00 0.00 H new ATOM 0 HA LYS A 97 19.590 -3.128 76.887 1.00 0.00 H new ATOM 0 HB2 LYS A 97 17.823 -4.924 77.815 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.267 -3.570 78.779 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.962 -3.256 76.853 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.341 -2.253 76.448 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.366 -4.162 75.182 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.000 -5.178 75.599 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.569 -4.279 73.373 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.464 -3.480 74.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.764 -2.018 72.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.764 -1.538 74.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.124 -2.315 73.840 1.00 0.00 H new ATOM 1515 N GLY A 98 19.964 -1.733 79.662 1.00 0.00 N ATOM 1516 CA GLY A 98 19.987 -0.389 80.307 1.00 0.00 C ATOM 1517 C GLY A 98 20.806 0.544 79.414 1.00 0.00 C ATOM 1518 O GLY A 98 21.431 0.091 78.476 1.00 0.00 O ATOM 0 H GLY A 98 20.539 -2.449 80.107 1.00 0.00 H new ATOM 0 HA2 GLY A 98 18.974 -0.007 80.431 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.428 -0.450 81.302 1.00 0.00 H new ATOM 1522 N PRO A 99 20.796 1.815 79.720 1.00 0.00 N ATOM 1523 CA PRO A 99 21.553 2.798 78.933 1.00 0.00 C ATOM 1524 C PRO A 99 22.978 2.295 78.753 1.00 0.00 C ATOM 1525 O PRO A 99 23.355 1.816 77.700 1.00 0.00 O ATOM 1526 CB PRO A 99 21.495 4.093 79.763 1.00 0.00 C ATOM 1527 CG PRO A 99 20.568 3.824 80.981 1.00 0.00 C ATOM 1528 CD PRO A 99 20.062 2.372 80.869 1.00 0.00 C ATOM 0 HA PRO A 99 21.152 2.963 77.933 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.492 4.380 80.096 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.110 4.917 79.162 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.111 3.970 81.915 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.731 4.522 80.987 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.265 1.809 81.780 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.985 2.338 80.706 1.00 0.00 H new ATOM 1536 N ASP A 100 23.764 2.381 79.776 1.00 0.00 N ATOM 1537 CA ASP A 100 25.159 1.892 79.678 1.00 0.00 C ATOM 1538 C ASP A 100 25.632 1.454 81.059 1.00 0.00 C ATOM 1539 O ASP A 100 25.026 0.621 81.710 1.00 0.00 O ATOM 1540 CB ASP A 100 26.059 3.015 79.155 1.00 0.00 C ATOM 1541 CG ASP A 100 27.451 2.457 78.857 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.677 1.294 79.148 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.269 3.203 78.341 1.00 0.00 O ATOM 0 H ASP A 100 23.502 2.770 80.682 1.00 0.00 H new ATOM 0 HA ASP A 100 25.206 1.047 78.991 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.629 3.449 78.253 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.127 3.815 79.893 1.00 0.00 H new ATOM 1548 N GLY A 101 26.713 2.004 81.509 1.00 0.00 N ATOM 1549 CA GLY A 101 27.242 1.621 82.841 1.00 0.00 C ATOM 1550 C GLY A 101 26.217 1.940 83.933 1.00 0.00 C ATOM 1551 O GLY A 101 26.462 1.723 85.110 1.00 0.00 O ATOM 0 H GLY A 101 27.259 2.707 81.011 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.478 0.557 82.854 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.171 2.156 83.038 1.00 0.00 H new ATOM 1555 N LEU A 102 25.057 2.436 83.576 1.00 0.00 N ATOM 1556 CA LEU A 102 24.059 2.745 84.636 1.00 0.00 C ATOM 1557 C LEU A 102 23.913 1.520 85.487 1.00 0.00 C ATOM 1558 O LEU A 102 24.324 1.508 86.628 1.00 0.00 O ATOM 1559 CB LEU A 102 22.698 3.127 84.031 1.00 0.00 C ATOM 1560 CG LEU A 102 21.688 3.602 85.113 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.343 3.903 84.442 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.461 2.544 86.206 1.00 0.00 C ATOM 0 H LEU A 102 24.766 2.635 82.619 1.00 0.00 H new ATOM 0 HA LEU A 102 24.401 3.596 85.225 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.839 3.919 83.295 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.284 2.269 83.501 1.00 0.00 H new ATOM 0 HG LEU A 102 22.107 4.491 85.585 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.628 4.237 85.194 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.476 4.685 83.695 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.967 3.001 83.959 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.748 2.924 86.938 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.067 1.633 85.755 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.407 2.324 86.701 1.00 0.00 H new ATOM 1574 N THR A 103 23.321 0.489 84.951 1.00 0.00 N ATOM 1575 CA THR A 103 23.124 -0.719 85.764 1.00 0.00 C ATOM 1576 C THR A 103 23.146 -0.265 87.214 1.00 0.00 C ATOM 1577 O THR A 103 22.287 0.471 87.673 1.00 0.00 O ATOM 1578 CB THR A 103 24.248 -1.737 85.498 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.361 -2.633 86.597 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.575 -1.013 85.303 1.00 0.00 C ATOM 0 H THR A 103 22.972 0.440 83.994 1.00 0.00 H new ATOM 0 HA THR A 103 22.183 -1.211 85.520 1.00 0.00 H new ATOM 0 HB THR A 103 24.005 -2.296 84.595 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.300 -2.887 86.717 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.363 -1.742 85.116 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.498 -0.335 84.453 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.814 -0.443 86.201 1.00 0.00 H new ATOM 1588 N ALA A 104 24.098 -0.698 87.938 1.00 0.00 N ATOM 1589 CA ALA A 104 24.173 -0.316 89.360 1.00 0.00 C ATOM 1590 C ALA A 104 24.994 0.963 89.560 1.00 0.00 C ATOM 1591 O ALA A 104 24.808 1.684 90.520 1.00 0.00 O ATOM 1592 CB ALA A 104 24.844 -1.475 90.070 1.00 0.00 C ATOM 0 H ALA A 104 24.846 -1.311 87.612 1.00 0.00 H new ATOM 0 HA ALA A 104 23.177 -0.113 89.753 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.929 -1.250 91.133 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.248 -2.378 89.936 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.838 -1.631 89.652 1.00 0.00 H new ATOM 1598 N LEU A 105 25.930 1.239 88.693 1.00 0.00 N ATOM 1599 CA LEU A 105 26.787 2.439 88.890 1.00 0.00 C ATOM 1600 C LEU A 105 25.983 3.729 89.000 1.00 0.00 C ATOM 1601 O LEU A 105 25.966 4.366 90.031 1.00 0.00 O ATOM 1602 CB LEU A 105 27.727 2.610 87.707 1.00 0.00 C ATOM 1603 CG LEU A 105 28.362 1.289 87.311 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.313 1.549 86.146 1.00 0.00 C ATOM 1605 CD2 LEU A 105 29.148 0.728 88.492 1.00 0.00 C ATOM 0 H LEU A 105 26.137 0.687 87.861 1.00 0.00 H new ATOM 0 HA LEU A 105 27.327 2.270 89.822 1.00 0.00 H new ATOM 0 HB2 LEU A 105 27.178 3.020 86.860 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.506 3.329 87.960 1.00 0.00 H new ATOM 0 HG LEU A 105 27.594 0.572 87.021 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.782 0.613 85.843 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.755 1.963 85.306 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.082 2.257 86.455 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.604 -0.220 88.208 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.927 1.434 88.779 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.475 0.569 89.334 1.00 0.00 H new ATOM 1617 N GLU A 106 25.372 4.161 87.936 1.00 0.00 N ATOM 1618 CA GLU A 106 24.648 5.447 87.998 1.00 0.00 C ATOM 1619 C GLU A 106 23.278 5.263 88.637 1.00 0.00 C ATOM 1620 O GLU A 106 22.509 6.197 88.752 1.00 0.00 O ATOM 1621 CB GLU A 106 24.493 6.015 86.585 1.00 0.00 C ATOM 1622 CG GLU A 106 25.822 5.922 85.830 1.00 0.00 C ATOM 1623 CD GLU A 106 26.846 6.863 86.466 1.00 0.00 C ATOM 1624 OE1 GLU A 106 26.531 8.032 86.621 1.00 0.00 O ATOM 1625 OE2 GLU A 106 27.928 6.400 86.784 1.00 0.00 O ATOM 0 H GLU A 106 25.345 3.681 87.036 1.00 0.00 H new ATOM 0 HA GLU A 106 25.221 6.143 88.610 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.721 5.465 86.047 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.167 7.054 86.636 1.00 0.00 H new ATOM 0 HG2 GLU A 106 26.193 4.897 85.853 1.00 0.00 H new ATOM 0 HG3 GLU A 106 25.675 6.184 84.782 1.00 0.00 H new ATOM 1632 N ALA A 107 22.962 4.076 89.065 1.00 0.00 N ATOM 1633 CA ALA A 107 21.639 3.861 89.699 1.00 0.00 C ATOM 1634 C ALA A 107 21.626 4.396 91.135 1.00 0.00 C ATOM 1635 O ALA A 107 20.669 5.015 91.558 1.00 0.00 O ATOM 1636 CB ALA A 107 21.341 2.365 89.747 1.00 0.00 C ATOM 0 H ALA A 107 23.559 3.251 89.003 1.00 0.00 H new ATOM 0 HA ALA A 107 20.890 4.390 89.110 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.369 2.202 90.213 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.330 1.964 88.734 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.111 1.859 90.329 1.00 0.00 H new ATOM 1642 N THR A 108 22.641 4.120 91.914 1.00 0.00 N ATOM 1643 CA THR A 108 22.603 4.573 93.327 1.00 0.00 C ATOM 1644 C THR A 108 23.999 4.683 93.949 1.00 0.00 C ATOM 1645 O THR A 108 24.994 4.899 93.284 1.00 0.00 O ATOM 1646 CB THR A 108 21.829 3.519 94.103 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.666 3.936 95.449 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.610 2.202 94.052 1.00 0.00 C ATOM 0 H THR A 108 23.479 3.609 91.635 1.00 0.00 H new ATOM 0 HA THR A 108 22.146 5.562 93.365 1.00 0.00 H new ATOM 0 HB THR A 108 20.843 3.380 93.661 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.166 3.254 95.944 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.067 1.435 94.605 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.726 1.888 93.015 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.593 2.345 94.500 1.00 0.00 H new ATOM 1656 N ASP A 109 24.042 4.520 95.250 1.00 0.00 N ATOM 1657 CA ASP A 109 25.320 4.585 96.002 1.00 0.00 C ATOM 1658 C ASP A 109 25.226 3.666 97.225 1.00 0.00 C ATOM 1659 O ASP A 109 26.159 3.548 97.993 1.00 0.00 O ATOM 1660 CB ASP A 109 25.592 6.023 96.441 1.00 0.00 C ATOM 1661 CG ASP A 109 26.840 6.070 97.328 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.851 5.519 96.925 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.761 6.660 98.393 1.00 0.00 O ATOM 0 H ASP A 109 23.221 4.341 95.829 1.00 0.00 H new ATOM 0 HA ASP A 109 26.141 4.257 95.364 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.732 6.659 95.567 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.733 6.415 96.986 1.00 0.00 H new ATOM 1668 N ASN A 110 24.129 2.968 97.393 1.00 0.00 N ATOM 1669 CA ASN A 110 24.050 2.027 98.539 1.00 0.00 C ATOM 1670 C ASN A 110 24.829 0.789 98.106 1.00 0.00 C ATOM 1671 O ASN A 110 24.799 0.398 96.957 1.00 0.00 O ATOM 1672 CB ASN A 110 22.599 1.675 98.878 1.00 0.00 C ATOM 1673 CG ASN A 110 21.987 0.873 97.745 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.519 0.960 96.567 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 21.022 0.161 97.936 1.00 0.00 N flip ATOM 0 H ASN A 110 23.303 3.011 96.796 1.00 0.00 H new ATOM 0 HA ASN A 110 24.466 2.469 99.444 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.561 1.101 99.804 1.00 0.00 H new ATOM 0 HB3 ASN A 110 22.023 2.586 99.044 1.00 0.00 H new ATOM 0 HD21 ASN A 110 20.610 0.099 98.867 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.623 -0.375 97.165 1.00 0.00 H new ATOM 1682 N GLN A 111 25.587 0.220 98.979 1.00 0.00 N ATOM 1683 CA GLN A 111 26.436 -0.932 98.580 1.00 0.00 C ATOM 1684 C GLN A 111 25.633 -2.234 98.362 1.00 0.00 C ATOM 1685 O GLN A 111 26.208 -3.274 98.110 1.00 0.00 O ATOM 1686 CB GLN A 111 27.506 -1.103 99.656 1.00 0.00 C ATOM 1687 CG GLN A 111 28.278 -2.404 99.445 1.00 0.00 C ATOM 1688 CD GLN A 111 29.627 -2.316 100.166 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.757 -1.621 101.155 1.00 0.00 O ATOM 1690 NE2 GLN A 111 30.645 -2.997 99.711 1.00 0.00 N ATOM 0 H GLN A 111 25.661 0.498 99.958 1.00 0.00 H new ATOM 0 HA GLN A 111 26.890 -0.723 97.611 1.00 0.00 H new ATOM 0 HB2 GLN A 111 28.194 -0.258 99.630 1.00 0.00 H new ATOM 0 HB3 GLN A 111 27.041 -1.106 100.642 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.703 -3.247 99.827 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.433 -2.580 98.380 1.00 0.00 H new ATOM 0 HE21 GLN A 111 30.538 -3.581 98.881 1.00 0.00 H new ATOM 0 HE22 GLN A 111 31.546 -2.945 100.185 1.00 0.00 H new ATOM 1699 N ALA A 112 24.325 -2.202 98.414 1.00 0.00 N ATOM 1700 CA ALA A 112 23.552 -3.462 98.173 1.00 0.00 C ATOM 1701 C ALA A 112 23.408 -3.667 96.663 1.00 0.00 C ATOM 1702 O ALA A 112 23.610 -4.744 96.124 1.00 0.00 O ATOM 1703 CB ALA A 112 22.162 -3.349 98.810 1.00 0.00 C ATOM 0 H ALA A 112 23.765 -1.373 98.610 1.00 0.00 H new ATOM 0 HA ALA A 112 24.077 -4.308 98.617 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.604 -4.268 98.632 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.265 -3.190 99.883 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.627 -2.508 98.369 1.00 0.00 H new ATOM 1709 N ILE A 113 23.107 -2.616 95.983 1.00 0.00 N ATOM 1710 CA ILE A 113 22.979 -2.670 94.505 1.00 0.00 C ATOM 1711 C ILE A 113 24.376 -2.855 93.951 1.00 0.00 C ATOM 1712 O ILE A 113 24.676 -3.775 93.203 1.00 0.00 O ATOM 1713 CB ILE A 113 22.435 -1.309 94.040 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.908 -1.267 94.125 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.846 -1.007 92.591 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.450 -0.975 95.554 1.00 0.00 C ATOM 0 H ILE A 113 22.939 -1.697 96.392 1.00 0.00 H new ATOM 0 HA ILE A 113 22.320 -3.474 94.176 1.00 0.00 H new ATOM 0 HB ILE A 113 22.863 -0.558 94.705 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.523 -0.501 93.452 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.495 -2.220 93.794 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.445 -0.038 92.294 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.933 -0.988 92.518 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.451 -1.780 91.932 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.361 -0.950 95.589 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.817 -1.756 96.220 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.845 -0.011 95.873 1.00 0.00 H new ATOM 1728 N LYS A 114 25.242 -1.984 94.344 1.00 0.00 N ATOM 1729 CA LYS A 114 26.622 -2.078 93.878 1.00 0.00 C ATOM 1730 C LYS A 114 27.120 -3.487 94.195 1.00 0.00 C ATOM 1731 O LYS A 114 28.137 -3.929 93.696 1.00 0.00 O ATOM 1732 CB LYS A 114 27.471 -1.006 94.563 1.00 0.00 C ATOM 1733 CG LYS A 114 26.758 0.358 94.468 1.00 0.00 C ATOM 1734 CD LYS A 114 26.705 0.839 93.006 1.00 0.00 C ATOM 1735 CE LYS A 114 26.645 2.372 92.960 1.00 0.00 C ATOM 1736 NZ LYS A 114 27.965 2.935 93.363 1.00 0.00 N ATOM 0 H LYS A 114 25.045 -1.206 94.974 1.00 0.00 H new ATOM 0 HA LYS A 114 26.693 -1.905 92.804 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.635 -1.270 95.608 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.452 -0.948 94.091 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.747 0.275 94.866 1.00 0.00 H new ATOM 0 HG3 LYS A 114 27.282 1.092 95.080 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.583 0.485 92.466 1.00 0.00 H new ATOM 0 HD3 LYS A 114 25.832 0.417 92.507 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.387 2.706 91.955 1.00 0.00 H new ATOM 0 HE3 LYS A 114 25.864 2.736 93.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 28.080 3.882 92.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 28.011 3.004 94.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.726 2.313 93.023 1.00 0.00 H new ATOM 1750 N ALA A 115 26.375 -4.221 94.985 1.00 0.00 N ATOM 1751 CA ALA A 115 26.784 -5.606 95.259 1.00 0.00 C ATOM 1752 C ALA A 115 26.754 -6.322 93.918 1.00 0.00 C ATOM 1753 O ALA A 115 27.606 -7.132 93.621 1.00 0.00 O ATOM 1754 CB ALA A 115 25.812 -6.279 96.245 1.00 0.00 C ATOM 0 H ALA A 115 25.515 -3.914 95.440 1.00 0.00 H new ATOM 0 HA ALA A 115 27.774 -5.642 95.715 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.135 -7.303 96.433 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.803 -5.724 97.183 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.809 -6.287 95.819 1.00 0.00 H new ATOM 1760 N LEU A 116 25.800 -5.999 93.072 1.00 0.00 N ATOM 1761 CA LEU A 116 25.783 -6.676 91.742 1.00 0.00 C ATOM 1762 C LEU A 116 27.036 -6.246 90.975 1.00 0.00 C ATOM 1763 O LEU A 116 27.392 -6.838 89.979 1.00 0.00 O ATOM 1764 CB LEU A 116 24.526 -6.316 90.923 1.00 0.00 C ATOM 1765 CG LEU A 116 23.503 -7.475 90.917 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.404 -7.157 89.890 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.175 -8.812 90.528 1.00 0.00 C ATOM 0 H LEU A 116 25.058 -5.319 93.240 1.00 0.00 H new ATOM 0 HA LEU A 116 25.766 -7.755 91.899 1.00 0.00 H new ATOM 0 HB2 LEU A 116 24.062 -5.422 91.340 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.814 -6.078 89.899 1.00 0.00 H new ATOM 0 HG LEU A 116 23.086 -7.575 91.919 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.675 -7.967 89.875 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.907 -6.226 90.165 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.850 -7.052 88.901 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.431 -9.608 90.532 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.608 -8.725 89.531 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.961 -9.046 91.246 1.00 0.00 H new ATOM 1779 N LEU A 117 27.762 -5.263 91.452 1.00 0.00 N ATOM 1780 CA LEU A 117 29.020 -4.898 90.734 1.00 0.00 C ATOM 1781 C LEU A 117 30.056 -5.892 91.226 1.00 0.00 C ATOM 1782 O LEU A 117 31.175 -5.977 90.755 1.00 0.00 O ATOM 1783 CB LEU A 117 29.439 -3.459 91.060 1.00 0.00 C ATOM 1784 CG LEU A 117 29.505 -2.668 89.755 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.585 -3.281 88.840 1.00 0.00 C ATOM 1786 CD2 LEU A 117 28.119 -2.723 89.082 1.00 0.00 C ATOM 0 H LEU A 117 27.546 -4.713 92.283 1.00 0.00 H new ATOM 0 HA LEU A 117 28.899 -4.939 89.652 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.724 -3.002 91.745 1.00 0.00 H new ATOM 0 HB3 LEU A 117 30.408 -3.450 91.558 1.00 0.00 H new ATOM 0 HG LEU A 117 29.770 -1.628 89.947 1.00 0.00 H new ATOM 0 HD11 LEU A 117 30.634 -2.718 87.908 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.552 -3.239 89.341 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.333 -4.319 88.624 1.00 0.00 H new ATOM 0 HD21 LEU A 117 28.146 -2.163 88.147 1.00 0.00 H new ATOM 0 HD22 LEU A 117 27.855 -3.760 88.876 1.00 0.00 H new ATOM 0 HD23 LEU A 117 27.374 -2.284 89.746 1.00 0.00 H new ATOM 1798 N GLN A 118 29.617 -6.670 92.175 1.00 0.00 N ATOM 1799 CA GLN A 118 30.444 -7.738 92.787 1.00 0.00 C ATOM 1800 C GLN A 118 31.935 -7.399 92.710 1.00 0.00 C ATOM 1801 O GLN A 118 32.671 -8.179 92.130 1.00 0.00 O ATOM 1802 CB GLN A 118 30.163 -9.065 92.081 1.00 0.00 C ATOM 1803 CG GLN A 118 28.648 -9.281 91.965 1.00 0.00 C ATOM 1804 CD GLN A 118 28.372 -10.566 91.179 1.00 0.00 C ATOM 1805 OE1 GLN A 118 28.879 -11.619 91.514 1.00 0.00 O ATOM 1806 NE2 GLN A 118 27.582 -10.523 90.142 1.00 0.00 N ATOM 1807 OXT GLN A 118 32.320 -6.381 93.263 1.00 0.00 O ATOM 0 H GLN A 118 28.677 -6.602 92.565 1.00 0.00 H new ATOM 0 HA GLN A 118 30.179 -7.822 93.841 1.00 0.00 H new ATOM 0 HB2 GLN A 118 30.616 -9.063 91.090 1.00 0.00 H new ATOM 0 HB3 GLN A 118 30.615 -9.886 92.637 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.203 -9.347 92.958 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.186 -8.430 91.464 1.00 0.00 H new ATOM 0 HE21 GLN A 118 27.157 -9.639 89.861 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.389 -11.373 89.612 1.00 0.00 H new