USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 866 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 13 THR OG1 : rot -165:sc= 0.223 USER MOD Set 1.2: A 16 THR OG1 : rot 83:sc= 0.234 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 11 CYS SG : rot 160:sc= -1.34 USER MOD Single : A 12 HIS : no HE2:sc= 1.05 K(o=1,f=-5.6!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 20 GLN : amide:sc= -2.96! C(o=-3!,f=-6.2!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 23 LYS NZ :NH3+ -157:sc= 1.32 (180deg=1.25) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 27 SER OG : rot 81:sc= 0.982 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -173:sc= -3.62! USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -172:sc=-0.00302 (180deg=-0.0693) USER MOD Single : A 59 ASN : amide:sc= -0.191 K(o=-0.19,f=-0.73) USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= 0.353 (180deg=0.347) USER MOD Single : A 67 THR OG1 : rot -20:sc= 0.447 USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= -0.96 (180deg=-1.2) USER MOD Single : A 72 SER OG : rot 180:sc= 0.00109 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN :FLIP amide:sc= -2.38 F(o=-3.2!,f=-2.4) USER MOD Single : A 82 MET CE :methyl 158:sc= -0.215 (180deg=-0.864) USER MOD Single : A 84 THR OG1 : rot 59:sc= 0.349 USER MOD Single : A 86 MET CE :methyl -107:sc= -0.668 (180deg=-1.3) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 169:sc= 1.21 (180deg=1.12) USER MOD Single : A 96 LYS NZ :NH3+ -169:sc= -0.0118 (180deg=-0.165) USER MOD Single : A 101 LYS NZ :NH3+ -155:sc= 1.12 (180deg=0.498) USER MOD Single : A 102 LYS NZ :NH3+ -170:sc= -0.012 (180deg=-0.113) USER MOD Single : A 106 GLN : amide:sc= 0.564 K(o=0.56,f=-0.53) USER MOD Single : A 107 SER OG : rot 74:sc= 0.222 USER MOD Single : A 108 THR OG1 : rot 74:sc= 0.925 USER MOD Single : A 111 LYS NZ :NH3+ -173:sc= 1.14 (180deg=0.955) USER MOD Single : A 112 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 69 N GLY A 6 -4.409 1.231 -12.263 1.00 0.00 N ATOM 70 CA GLY A 6 -4.220 -0.173 -12.502 1.00 0.00 C ATOM 71 C GLY A 6 -2.786 -0.555 -12.314 1.00 0.00 C ATOM 72 O GLY A 6 -2.354 -1.625 -12.718 1.00 0.00 O ATOM 0 HA2 GLY A 6 -4.847 -0.750 -11.822 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.537 -0.420 -13.515 1.00 0.00 H new ATOM 76 N GLN A 7 -2.056 0.333 -11.690 1.00 0.00 N ATOM 77 CA GLN A 7 -0.679 0.127 -11.372 1.00 0.00 C ATOM 78 C GLN A 7 -0.371 0.672 -10.025 1.00 0.00 C ATOM 79 O GLN A 7 -1.015 1.615 -9.555 1.00 0.00 O ATOM 80 CB GLN A 7 0.256 0.729 -12.412 1.00 0.00 C ATOM 81 CG GLN A 7 -0.050 2.176 -12.785 1.00 0.00 C ATOM 82 CD GLN A 7 0.946 2.755 -13.769 1.00 0.00 C ATOM 83 OE1 GLN A 7 1.535 2.033 -14.581 1.00 0.00 O ATOM 84 NE2 GLN A 7 1.129 4.051 -13.719 1.00 0.00 N ATOM 0 H GLN A 7 -2.416 1.237 -11.385 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.509 -0.950 -11.373 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.278 0.673 -12.037 1.00 0.00 H new ATOM 0 HB3 GLN A 7 0.214 0.119 -13.314 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.051 2.231 -13.214 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.056 2.785 -11.881 1.00 0.00 H new ATOM 0 HE21 GLN A 7 0.623 4.611 -13.033 1.00 0.00 H new ATOM 0 HE22 GLN A 7 1.778 4.500 -14.366 1.00 0.00 H new ATOM 93 N VAL A 8 0.580 0.077 -9.414 1.00 0.00 N ATOM 94 CA VAL A 8 1.028 0.457 -8.117 1.00 0.00 C ATOM 95 C VAL A 8 2.325 1.259 -8.254 1.00 0.00 C ATOM 96 O VAL A 8 3.173 0.933 -9.108 1.00 0.00 O ATOM 97 CB VAL A 8 1.248 -0.819 -7.255 1.00 0.00 C ATOM 98 CG1 VAL A 8 2.320 -1.743 -7.837 1.00 0.00 C ATOM 99 CG2 VAL A 8 1.532 -0.481 -5.821 1.00 0.00 C ATOM 0 H VAL A 8 1.089 -0.714 -9.809 1.00 0.00 H new ATOM 0 HA VAL A 8 0.282 1.080 -7.623 1.00 0.00 H new ATOM 0 HB VAL A 8 0.310 -1.373 -7.282 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.433 -2.618 -7.196 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.023 -2.061 -8.836 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.269 -1.209 -7.893 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.680 -1.400 -5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.433 0.130 -5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.690 0.072 -5.404 1.00 0.00 H new ATOM 109 N ILE A 9 2.496 2.318 -7.474 1.00 0.00 N ATOM 110 CA ILE A 9 3.711 3.068 -7.611 1.00 0.00 C ATOM 111 C ILE A 9 4.713 2.663 -6.546 1.00 0.00 C ATOM 112 O ILE A 9 4.493 2.854 -5.351 1.00 0.00 O ATOM 113 CB ILE A 9 3.512 4.629 -7.653 1.00 0.00 C ATOM 114 CG1 ILE A 9 2.719 5.079 -8.909 1.00 0.00 C ATOM 115 CG2 ILE A 9 4.855 5.355 -7.609 1.00 0.00 C ATOM 116 CD1 ILE A 9 1.247 4.692 -8.941 1.00 0.00 C ATOM 0 H ILE A 9 1.836 2.656 -6.774 1.00 0.00 H new ATOM 0 HA ILE A 9 4.110 2.811 -8.592 1.00 0.00 H new ATOM 0 HB ILE A 9 2.932 4.894 -6.769 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.791 6.164 -8.991 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.204 4.660 -9.790 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.688 6.432 -7.639 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.379 5.095 -6.689 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.458 5.057 -8.467 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.795 5.058 -9.863 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.155 3.607 -8.897 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.736 5.134 -8.086 1.00 0.00 H new ATOM 128 N ALA A 10 5.787 2.073 -6.973 1.00 0.00 N ATOM 129 CA ALA A 10 6.826 1.665 -6.078 1.00 0.00 C ATOM 130 C ALA A 10 7.791 2.810 -5.874 1.00 0.00 C ATOM 131 O ALA A 10 8.460 3.250 -6.814 1.00 0.00 O ATOM 132 CB ALA A 10 7.549 0.435 -6.616 1.00 0.00 C ATOM 0 H ALA A 10 5.968 1.860 -7.954 1.00 0.00 H new ATOM 0 HA ALA A 10 6.386 1.396 -5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.335 0.142 -5.920 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.839 -0.384 -6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.991 0.667 -7.585 1.00 0.00 H new ATOM 138 N CYS A 11 7.843 3.314 -4.675 1.00 0.00 N ATOM 139 CA CYS A 11 8.721 4.380 -4.357 1.00 0.00 C ATOM 140 C CYS A 11 10.042 3.798 -3.932 1.00 0.00 C ATOM 141 O CYS A 11 10.086 2.898 -3.096 1.00 0.00 O ATOM 142 CB CYS A 11 8.130 5.208 -3.238 1.00 0.00 C ATOM 143 SG CYS A 11 6.480 5.852 -3.604 1.00 0.00 S ATOM 0 H CYS A 11 7.272 2.990 -3.894 1.00 0.00 H new ATOM 0 HA CYS A 11 8.865 5.023 -5.225 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.081 4.600 -2.335 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.797 6.043 -3.024 1.00 0.00 H new ATOM 0 HG CYS A 11 5.881 6.168 -2.494 1.00 0.00 H new ATOM 149 N HIS A 12 11.109 4.270 -4.517 1.00 0.00 N ATOM 150 CA HIS A 12 12.417 3.756 -4.174 1.00 0.00 C ATOM 151 C HIS A 12 13.178 4.772 -3.363 1.00 0.00 C ATOM 152 O HIS A 12 14.339 4.574 -3.018 1.00 0.00 O ATOM 153 CB HIS A 12 13.206 3.330 -5.423 1.00 0.00 C ATOM 154 CG HIS A 12 12.562 2.202 -6.178 1.00 0.00 C ATOM 155 ND1 HIS A 12 12.968 0.892 -6.080 1.00 0.00 N ATOM 156 CD2 HIS A 12 11.533 2.204 -7.049 1.00 0.00 C ATOM 157 CE1 HIS A 12 12.218 0.144 -6.857 1.00 0.00 C ATOM 158 NE2 HIS A 12 11.340 0.913 -7.456 1.00 0.00 N ATOM 0 H HIS A 12 11.105 5.002 -5.227 1.00 0.00 H new ATOM 0 HA HIS A 12 12.281 2.861 -3.566 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.312 4.188 -6.087 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.211 3.031 -5.125 1.00 0.00 H new ATOM 0 HD1 HIS A 12 13.732 0.554 -5.495 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.966 3.066 -7.367 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.309 -0.925 -6.982 1.00 0.00 H new ATOM 167 N THR A 13 12.502 5.846 -3.028 1.00 0.00 N ATOM 168 CA THR A 13 13.082 6.925 -2.275 1.00 0.00 C ATOM 169 C THR A 13 12.039 7.469 -1.323 1.00 0.00 C ATOM 170 O THR A 13 10.828 7.263 -1.538 1.00 0.00 O ATOM 171 CB THR A 13 13.506 8.084 -3.215 1.00 0.00 C ATOM 172 OG1 THR A 13 12.362 8.533 -3.968 1.00 0.00 O ATOM 173 CG2 THR A 13 14.622 7.669 -4.164 1.00 0.00 C ATOM 0 H THR A 13 11.523 5.993 -3.275 1.00 0.00 H new ATOM 0 HA THR A 13 13.954 6.546 -1.742 1.00 0.00 H new ATOM 0 HB THR A 13 13.889 8.896 -2.596 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.662 9.087 -4.719 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.887 8.511 -4.804 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.495 7.362 -3.587 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.284 6.837 -4.781 1.00 0.00 H new ATOM 181 N VAL A 14 12.475 8.153 -0.279 1.00 0.00 N ATOM 182 CA VAL A 14 11.542 8.824 0.603 1.00 0.00 C ATOM 183 C VAL A 14 11.035 10.098 -0.114 1.00 0.00 C ATOM 184 O VAL A 14 9.959 10.624 0.178 1.00 0.00 O ATOM 185 CB VAL A 14 12.165 9.158 2.004 1.00 0.00 C ATOM 186 CG1 VAL A 14 13.311 10.145 1.905 1.00 0.00 C ATOM 187 CG2 VAL A 14 11.107 9.644 2.989 1.00 0.00 C ATOM 0 H VAL A 14 13.457 8.257 -0.025 1.00 0.00 H new ATOM 0 HA VAL A 14 10.708 8.154 0.813 1.00 0.00 H new ATOM 0 HB VAL A 14 12.577 8.225 2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.708 10.343 2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.098 9.727 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.953 11.076 1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.577 9.865 3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.634 10.546 2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.353 8.869 3.125 1.00 0.00 H new ATOM 197 N GLU A 15 11.842 10.547 -1.080 1.00 0.00 N ATOM 198 CA GLU A 15 11.561 11.698 -1.935 1.00 0.00 C ATOM 199 C GLU A 15 10.208 11.528 -2.646 1.00 0.00 C ATOM 200 O GLU A 15 9.338 12.407 -2.577 1.00 0.00 O ATOM 201 CB GLU A 15 12.689 11.779 -2.969 1.00 0.00 C ATOM 202 CG GLU A 15 12.620 12.921 -3.957 1.00 0.00 C ATOM 203 CD GLU A 15 13.794 12.889 -4.902 1.00 0.00 C ATOM 204 OE1 GLU A 15 14.892 13.325 -4.509 1.00 0.00 O ATOM 205 OE2 GLU A 15 13.653 12.400 -6.047 1.00 0.00 O ATOM 0 H GLU A 15 12.736 10.104 -1.293 1.00 0.00 H new ATOM 0 HA GLU A 15 11.509 12.610 -1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.637 11.847 -2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.706 10.844 -3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.691 12.861 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.606 13.870 -3.421 1.00 0.00 H new ATOM 212 N THR A 16 10.033 10.392 -3.299 1.00 0.00 N ATOM 213 CA THR A 16 8.788 10.096 -3.981 1.00 0.00 C ATOM 214 C THR A 16 7.692 9.764 -2.954 1.00 0.00 C ATOM 215 O THR A 16 6.540 10.167 -3.105 1.00 0.00 O ATOM 216 CB THR A 16 8.977 8.919 -4.966 1.00 0.00 C ATOM 217 OG1 THR A 16 10.061 9.225 -5.853 1.00 0.00 O ATOM 218 CG2 THR A 16 7.716 8.685 -5.792 1.00 0.00 C ATOM 0 H THR A 16 10.739 9.660 -3.370 1.00 0.00 H new ATOM 0 HA THR A 16 8.483 10.974 -4.550 1.00 0.00 H new ATOM 0 HB THR A 16 9.189 8.017 -4.391 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.911 8.997 -5.422 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.878 7.852 -6.476 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.884 8.453 -5.128 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.484 9.583 -6.364 1.00 0.00 H new ATOM 226 N TRP A 17 8.090 9.066 -1.900 1.00 0.00 N ATOM 227 CA TRP A 17 7.194 8.655 -0.816 1.00 0.00 C ATOM 228 C TRP A 17 6.418 9.838 -0.221 1.00 0.00 C ATOM 229 O TRP A 17 5.180 9.832 -0.193 1.00 0.00 O ATOM 230 CB TRP A 17 8.035 7.967 0.265 1.00 0.00 C ATOM 231 CG TRP A 17 7.316 7.688 1.536 1.00 0.00 C ATOM 232 CD1 TRP A 17 7.462 8.364 2.709 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.338 6.687 1.771 1.00 0.00 C ATOM 234 NE1 TRP A 17 6.644 7.841 3.657 1.00 0.00 N ATOM 235 CE2 TRP A 17 5.938 6.806 3.112 1.00 0.00 C ATOM 236 CE3 TRP A 17 5.761 5.700 0.983 1.00 0.00 C ATOM 237 CZ2 TRP A 17 4.988 5.976 3.679 1.00 0.00 C ATOM 238 CZ3 TRP A 17 4.819 4.881 1.549 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.442 5.023 2.890 1.00 0.00 C ATOM 0 H TRP A 17 9.055 8.763 -1.767 1.00 0.00 H new ATOM 0 HA TRP A 17 6.449 7.969 -1.218 1.00 0.00 H new ATOM 0 HB2 TRP A 17 8.414 7.027 -0.135 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.900 8.592 0.484 1.00 0.00 H new ATOM 0 HD1 TRP A 17 8.132 9.197 2.863 1.00 0.00 H new ATOM 0 HE1 TRP A 17 6.568 8.168 4.620 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.048 5.581 -0.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.693 6.085 4.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 4.358 4.111 0.949 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.699 4.357 3.303 1.00 0.00 H new ATOM 250 N ASN A 18 7.145 10.853 0.221 1.00 0.00 N ATOM 251 CA ASN A 18 6.545 12.035 0.841 1.00 0.00 C ATOM 252 C ASN A 18 5.660 12.754 -0.154 1.00 0.00 C ATOM 253 O ASN A 18 4.570 13.218 0.182 1.00 0.00 O ATOM 254 CB ASN A 18 7.639 12.990 1.335 1.00 0.00 C ATOM 255 CG ASN A 18 7.085 14.221 2.050 1.00 0.00 C ATOM 256 OD1 ASN A 18 6.025 14.172 2.683 1.00 0.00 O ATOM 257 ND2 ASN A 18 7.792 15.314 1.962 1.00 0.00 N ATOM 0 H ASN A 18 8.163 10.885 0.163 1.00 0.00 H new ATOM 0 HA ASN A 18 5.943 11.711 1.690 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.303 12.453 2.012 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.242 13.312 0.486 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.474 16.166 2.425 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.663 15.317 1.430 1.00 0.00 H new ATOM 264 N GLU A 19 6.130 12.805 -1.377 1.00 0.00 N ATOM 265 CA GLU A 19 5.448 13.478 -2.455 1.00 0.00 C ATOM 266 C GLU A 19 4.083 12.846 -2.752 1.00 0.00 C ATOM 267 O GLU A 19 3.091 13.557 -2.908 1.00 0.00 O ATOM 268 CB GLU A 19 6.342 13.490 -3.689 1.00 0.00 C ATOM 269 CG GLU A 19 5.744 14.167 -4.893 1.00 0.00 C ATOM 270 CD GLU A 19 6.736 14.301 -6.005 1.00 0.00 C ATOM 271 OE1 GLU A 19 6.847 13.381 -6.844 1.00 0.00 O ATOM 272 OE2 GLU A 19 7.422 15.334 -6.062 1.00 0.00 O ATOM 0 H GLU A 19 7.011 12.373 -1.655 1.00 0.00 H new ATOM 0 HA GLU A 19 5.248 14.506 -2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.279 13.987 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.588 12.461 -3.952 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.883 13.596 -5.241 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.379 15.154 -4.611 1.00 0.00 H new ATOM 279 N GLN A 20 4.033 11.523 -2.794 1.00 0.00 N ATOM 280 CA GLN A 20 2.827 10.814 -3.058 1.00 0.00 C ATOM 281 C GLN A 20 1.791 11.034 -1.970 1.00 0.00 C ATOM 282 O GLN A 20 0.609 11.208 -2.254 1.00 0.00 O ATOM 283 CB GLN A 20 3.131 9.357 -3.221 1.00 0.00 C ATOM 284 CG GLN A 20 3.977 9.008 -4.444 1.00 0.00 C ATOM 285 CD GLN A 20 3.301 9.319 -5.779 1.00 0.00 C ATOM 286 OE1 GLN A 20 2.489 10.231 -5.899 1.00 0.00 O ATOM 287 NE2 GLN A 20 3.650 8.572 -6.794 1.00 0.00 N ATOM 0 H GLN A 20 4.844 10.923 -2.642 1.00 0.00 H new ATOM 0 HA GLN A 20 2.398 11.199 -3.983 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.648 9.007 -2.328 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.191 8.809 -3.280 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.918 9.555 -4.389 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.223 7.947 -4.412 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.328 7.821 -6.665 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.245 8.741 -7.715 1.00 0.00 H new ATOM 296 N LEU A 21 2.238 11.049 -0.729 1.00 0.00 N ATOM 297 CA LEU A 21 1.388 11.287 0.377 1.00 0.00 C ATOM 298 C LEU A 21 0.881 12.713 0.376 1.00 0.00 C ATOM 299 O LEU A 21 -0.311 12.956 0.583 1.00 0.00 O ATOM 300 CB LEU A 21 2.139 10.993 1.636 1.00 0.00 C ATOM 301 CG LEU A 21 2.558 9.541 1.889 1.00 0.00 C ATOM 302 CD1 LEU A 21 3.321 9.438 3.197 1.00 0.00 C ATOM 303 CD2 LEU A 21 1.342 8.619 1.907 1.00 0.00 C ATOM 0 H LEU A 21 3.214 10.893 -0.478 1.00 0.00 H new ATOM 0 HA LEU A 21 0.518 10.633 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.039 11.608 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.526 11.317 2.477 1.00 0.00 H new ATOM 0 HG LEU A 21 3.210 9.224 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.614 8.402 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.212 10.064 3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.686 9.774 4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.665 7.594 2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.661 8.930 2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.830 8.673 0.946 1.00 0.00 H new ATOM 315 N GLN A 22 1.782 13.647 0.140 1.00 0.00 N ATOM 316 CA GLN A 22 1.437 15.052 0.059 1.00 0.00 C ATOM 317 C GLN A 22 0.397 15.267 -1.034 1.00 0.00 C ATOM 318 O GLN A 22 -0.564 16.031 -0.856 1.00 0.00 O ATOM 319 CB GLN A 22 2.683 15.895 -0.223 1.00 0.00 C ATOM 320 CG GLN A 22 2.430 17.399 -0.280 1.00 0.00 C ATOM 321 CD GLN A 22 3.690 18.184 -0.549 1.00 0.00 C ATOM 322 OE1 GLN A 22 4.601 17.702 -1.218 1.00 0.00 O ATOM 323 NE2 GLN A 22 3.761 19.382 -0.037 1.00 0.00 N ATOM 0 H GLN A 22 2.773 13.453 -0.001 1.00 0.00 H new ATOM 0 HA GLN A 22 1.019 15.366 1.015 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.425 15.693 0.549 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.115 15.576 -1.171 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.699 17.612 -1.060 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.995 17.728 0.664 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.984 19.748 0.513 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.593 19.952 -0.187 1.00 0.00 H new ATOM 332 N LYS A 23 0.572 14.573 -2.145 1.00 0.00 N ATOM 333 CA LYS A 23 -0.341 14.674 -3.250 1.00 0.00 C ATOM 334 C LYS A 23 -1.681 14.023 -2.901 1.00 0.00 C ATOM 335 O LYS A 23 -2.738 14.556 -3.249 1.00 0.00 O ATOM 336 CB LYS A 23 0.245 14.042 -4.519 1.00 0.00 C ATOM 337 CG LYS A 23 -0.584 14.303 -5.769 1.00 0.00 C ATOM 338 CD LYS A 23 -0.628 15.793 -6.066 1.00 0.00 C ATOM 339 CE LYS A 23 -1.457 16.120 -7.289 1.00 0.00 C ATOM 340 NZ LYS A 23 -1.425 17.570 -7.574 1.00 0.00 N ATOM 0 H LYS A 23 1.349 13.930 -2.298 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.506 15.733 -3.448 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.253 14.427 -4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.335 12.966 -4.371 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.156 13.768 -6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.596 13.922 -5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.037 16.319 -5.204 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.388 16.161 -6.212 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.078 15.568 -8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.487 15.798 -7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.262 17.833 -8.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.426 18.100 -6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.564 17.799 -8.111 1.00 0.00 H new ATOM 354 N ALA A 24 -1.637 12.885 -2.203 1.00 0.00 N ATOM 355 CA ALA A 24 -2.853 12.186 -1.799 1.00 0.00 C ATOM 356 C ALA A 24 -3.664 13.049 -0.852 1.00 0.00 C ATOM 357 O ALA A 24 -4.887 13.112 -0.948 1.00 0.00 O ATOM 358 CB ALA A 24 -2.519 10.849 -1.152 1.00 0.00 C ATOM 0 H ALA A 24 -0.772 12.431 -1.908 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.450 11.990 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.441 10.346 -0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.976 10.226 -1.863 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.901 11.016 -0.270 1.00 0.00 H new ATOM 364 N ASN A 25 -2.965 13.724 0.046 1.00 0.00 N ATOM 365 CA ASN A 25 -3.569 14.633 1.025 1.00 0.00 C ATOM 366 C ASN A 25 -4.241 15.771 0.309 1.00 0.00 C ATOM 367 O ASN A 25 -5.403 16.093 0.556 1.00 0.00 O ATOM 368 CB ASN A 25 -2.484 15.229 1.900 1.00 0.00 C ATOM 369 CG ASN A 25 -3.045 16.021 3.067 1.00 0.00 C ATOM 370 OD1 ASN A 25 -4.110 15.706 3.591 1.00 0.00 O ATOM 371 ND2 ASN A 25 -2.345 17.035 3.478 1.00 0.00 N ATOM 0 H ASN A 25 -1.950 13.660 0.122 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.288 14.073 1.624 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.849 14.429 2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.851 15.879 1.296 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.676 17.599 4.261 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.465 17.267 3.018 1.00 0.00 H new ATOM 378 N GLU A 26 -3.485 16.356 -0.587 1.00 0.00 N ATOM 379 CA GLU A 26 -3.912 17.496 -1.398 1.00 0.00 C ATOM 380 C GLU A 26 -5.144 17.145 -2.223 1.00 0.00 C ATOM 381 O GLU A 26 -6.075 17.943 -2.355 1.00 0.00 O ATOM 382 CB GLU A 26 -2.774 17.890 -2.341 1.00 0.00 C ATOM 383 CG GLU A 26 -3.067 19.075 -3.236 1.00 0.00 C ATOM 384 CD GLU A 26 -1.922 19.379 -4.158 1.00 0.00 C ATOM 385 OE1 GLU A 26 -0.960 20.027 -3.713 1.00 0.00 O ATOM 386 OE2 GLU A 26 -1.969 18.964 -5.346 1.00 0.00 O ATOM 0 H GLU A 26 -2.531 16.054 -0.786 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.162 18.323 -0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.889 18.114 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.528 17.033 -2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.962 18.873 -3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.280 19.950 -2.622 1.00 0.00 H new ATOM 393 N SER A 27 -5.151 15.956 -2.750 1.00 0.00 N ATOM 394 CA SER A 27 -6.221 15.510 -3.582 1.00 0.00 C ATOM 395 C SER A 27 -7.354 14.897 -2.753 1.00 0.00 C ATOM 396 O SER A 27 -8.379 14.495 -3.302 1.00 0.00 O ATOM 397 CB SER A 27 -5.677 14.496 -4.568 1.00 0.00 C ATOM 398 OG SER A 27 -4.572 15.034 -5.283 1.00 0.00 O ATOM 0 H SER A 27 -4.410 15.268 -2.612 1.00 0.00 H new ATOM 0 HA SER A 27 -6.638 16.364 -4.116 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.370 13.594 -4.038 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.461 14.203 -5.266 1.00 0.00 H new ATOM 0 HG SER A 27 -3.764 14.972 -4.732 1.00 0.00 H new ATOM 404 N LYS A 28 -7.152 14.819 -1.423 1.00 0.00 N ATOM 405 CA LYS A 28 -8.119 14.221 -0.483 1.00 0.00 C ATOM 406 C LYS A 28 -8.479 12.794 -0.881 1.00 0.00 C ATOM 407 O LYS A 28 -9.553 12.287 -0.556 1.00 0.00 O ATOM 408 CB LYS A 28 -9.366 15.078 -0.350 1.00 0.00 C ATOM 409 CG LYS A 28 -9.110 16.425 0.298 1.00 0.00 C ATOM 410 CD LYS A 28 -10.397 17.194 0.536 1.00 0.00 C ATOM 411 CE LYS A 28 -10.110 18.516 1.225 1.00 0.00 C ATOM 412 NZ LYS A 28 -11.338 19.268 1.533 1.00 0.00 N ATOM 0 H LYS A 28 -6.309 15.171 -0.969 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.635 14.181 0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.796 15.236 -1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.108 14.537 0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.594 16.279 1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.448 17.013 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.900 17.375 -0.414 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.075 16.599 1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.561 18.330 2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.466 19.122 0.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.089 20.162 2.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.851 19.471 0.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.942 18.703 2.163 1.00 0.00 H new ATOM 426 N THR A 29 -7.544 12.138 -1.517 1.00 0.00 N ATOM 427 CA THR A 29 -7.749 10.826 -2.044 1.00 0.00 C ATOM 428 C THR A 29 -7.097 9.798 -1.129 1.00 0.00 C ATOM 429 O THR A 29 -6.060 10.060 -0.500 1.00 0.00 O ATOM 430 CB THR A 29 -7.151 10.709 -3.441 1.00 0.00 C ATOM 431 OG1 THR A 29 -7.514 11.872 -4.203 1.00 0.00 O ATOM 432 CG2 THR A 29 -7.712 9.494 -4.153 1.00 0.00 C ATOM 0 H THR A 29 -6.609 12.510 -1.683 1.00 0.00 H new ATOM 0 HA THR A 29 -8.822 10.641 -2.103 1.00 0.00 H new ATOM 0 HB THR A 29 -6.068 10.619 -3.352 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.132 11.806 -5.103 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.276 9.423 -5.150 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.469 8.595 -3.586 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.795 9.589 -4.236 1.00 0.00 H new ATOM 440 N LEU A 30 -7.712 8.670 -1.031 1.00 0.00 N ATOM 441 CA LEU A 30 -7.245 7.606 -0.180 1.00 0.00 C ATOM 442 C LEU A 30 -6.041 6.912 -0.851 1.00 0.00 C ATOM 443 O LEU A 30 -6.013 6.713 -2.077 1.00 0.00 O ATOM 444 CB LEU A 30 -8.434 6.630 0.148 1.00 0.00 C ATOM 445 CG LEU A 30 -8.213 5.406 1.094 1.00 0.00 C ATOM 446 CD1 LEU A 30 -9.552 4.809 1.482 1.00 0.00 C ATOM 447 CD2 LEU A 30 -7.391 4.310 0.428 1.00 0.00 C ATOM 0 H LEU A 30 -8.566 8.448 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.894 7.994 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.235 7.231 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.803 6.241 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.675 5.772 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.393 3.956 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.149 5.560 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.078 4.481 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.262 3.479 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.908 3.960 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.414 4.706 0.151 1.00 0.00 H new ATOM 459 N VAL A 31 -5.064 6.580 -0.048 1.00 0.00 N ATOM 460 CA VAL A 31 -3.848 5.979 -0.512 1.00 0.00 C ATOM 461 C VAL A 31 -3.597 4.688 0.276 1.00 0.00 C ATOM 462 O VAL A 31 -3.971 4.592 1.434 1.00 0.00 O ATOM 463 CB VAL A 31 -2.653 6.981 -0.380 1.00 0.00 C ATOM 464 CG1 VAL A 31 -2.420 7.400 1.059 1.00 0.00 C ATOM 465 CG2 VAL A 31 -1.387 6.424 -0.986 1.00 0.00 C ATOM 0 H VAL A 31 -5.095 6.723 0.961 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.939 5.730 -1.569 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.931 7.872 -0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.582 8.095 1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.316 7.886 1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.195 6.520 1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.581 7.149 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.116 5.499 -0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.549 6.221 -2.045 1.00 0.00 H new ATOM 475 N VAL A 32 -3.029 3.706 -0.352 1.00 0.00 N ATOM 476 CA VAL A 32 -2.768 2.446 0.293 1.00 0.00 C ATOM 477 C VAL A 32 -1.318 2.034 0.059 1.00 0.00 C ATOM 478 O VAL A 32 -0.804 2.128 -1.061 1.00 0.00 O ATOM 479 CB VAL A 32 -3.749 1.357 -0.199 1.00 0.00 C ATOM 480 CG1 VAL A 32 -3.583 1.069 -1.648 1.00 0.00 C ATOM 481 CG2 VAL A 32 -3.708 0.099 0.653 1.00 0.00 C ATOM 0 H VAL A 32 -2.731 3.750 -1.327 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.925 2.562 1.365 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.751 1.768 -0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.292 0.298 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.767 1.977 -2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.567 0.721 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.417 -0.630 0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.703 -0.323 0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.974 0.347 1.681 1.00 0.00 H new ATOM 491 N VAL A 33 -0.650 1.620 1.102 1.00 0.00 N ATOM 492 CA VAL A 33 0.755 1.300 0.998 1.00 0.00 C ATOM 493 C VAL A 33 1.051 -0.142 1.400 1.00 0.00 C ATOM 494 O VAL A 33 0.536 -0.635 2.407 1.00 0.00 O ATOM 495 CB VAL A 33 1.614 2.257 1.860 1.00 0.00 C ATOM 496 CG1 VAL A 33 3.090 1.919 1.723 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.357 3.711 1.475 1.00 0.00 C ATOM 0 H VAL A 33 -1.051 1.496 2.032 1.00 0.00 H new ATOM 0 HA VAL A 33 1.018 1.424 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 33 1.327 2.127 2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.678 2.602 2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.261 0.895 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.390 2.017 0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.971 4.365 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.611 3.860 0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.304 3.948 1.630 1.00 0.00 H new ATOM 507 N ASP A 34 1.862 -0.788 0.598 1.00 0.00 N ATOM 508 CA ASP A 34 2.371 -2.132 0.846 1.00 0.00 C ATOM 509 C ASP A 34 3.838 -2.084 1.239 1.00 0.00 C ATOM 510 O ASP A 34 4.655 -1.502 0.528 1.00 0.00 O ATOM 511 CB ASP A 34 2.219 -2.997 -0.417 1.00 0.00 C ATOM 512 CG ASP A 34 3.106 -4.241 -0.395 1.00 0.00 C ATOM 513 OD1 ASP A 34 2.821 -5.181 0.373 1.00 0.00 O ATOM 514 OD2 ASP A 34 4.104 -4.268 -1.166 1.00 0.00 O ATOM 0 H ASP A 34 2.202 -0.387 -0.276 1.00 0.00 H new ATOM 0 HA ASP A 34 1.794 -2.567 1.662 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.177 -3.301 -0.520 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.464 -2.397 -1.294 1.00 0.00 H new ATOM 519 N PHE A 35 4.168 -2.641 2.379 1.00 0.00 N ATOM 520 CA PHE A 35 5.523 -2.790 2.770 1.00 0.00 C ATOM 521 C PHE A 35 5.826 -4.270 2.749 1.00 0.00 C ATOM 522 O PHE A 35 5.259 -5.029 3.545 1.00 0.00 O ATOM 523 CB PHE A 35 5.724 -2.301 4.201 1.00 0.00 C ATOM 524 CG PHE A 35 5.342 -0.870 4.478 1.00 0.00 C ATOM 525 CD1 PHE A 35 6.259 0.153 4.303 1.00 0.00 C ATOM 526 CD2 PHE A 35 4.071 -0.553 4.936 1.00 0.00 C ATOM 527 CE1 PHE A 35 5.917 1.465 4.576 1.00 0.00 C ATOM 528 CE2 PHE A 35 3.723 0.754 5.207 1.00 0.00 C ATOM 529 CZ PHE A 35 4.646 1.765 5.029 1.00 0.00 C ATOM 0 H PHE A 35 3.493 -3.000 3.054 1.00 0.00 H new ATOM 0 HA PHE A 35 6.166 -2.218 2.101 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.147 -2.944 4.866 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.774 -2.431 4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.253 -0.077 3.949 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.345 -1.339 5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.642 2.254 4.436 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.729 0.986 5.558 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.376 2.788 5.243 1.00 0.00 H new ATOM 539 N THR A 36 6.723 -4.688 1.903 1.00 0.00 N ATOM 540 CA THR A 36 7.017 -6.090 1.807 1.00 0.00 C ATOM 541 C THR A 36 8.458 -6.294 1.320 1.00 0.00 C ATOM 542 O THR A 36 9.178 -5.314 1.032 1.00 0.00 O ATOM 543 CB THR A 36 5.995 -6.814 0.860 1.00 0.00 C ATOM 544 OG1 THR A 36 6.150 -8.228 0.934 1.00 0.00 O ATOM 545 CG2 THR A 36 6.203 -6.405 -0.572 1.00 0.00 C ATOM 0 H THR A 36 7.258 -4.087 1.276 1.00 0.00 H new ATOM 0 HA THR A 36 6.920 -6.534 2.798 1.00 0.00 H new ATOM 0 HB THR A 36 4.997 -6.526 1.190 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.586 -8.655 0.256 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.482 -6.921 -1.206 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.064 -5.328 -0.667 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.214 -6.669 -0.883 1.00 0.00 H new ATOM 553 N ALA A 37 8.869 -7.544 1.246 1.00 0.00 N ATOM 554 CA ALA A 37 10.196 -7.916 0.819 1.00 0.00 C ATOM 555 C ALA A 37 10.101 -9.078 -0.149 1.00 0.00 C ATOM 556 O ALA A 37 9.355 -10.034 0.099 1.00 0.00 O ATOM 557 CB ALA A 37 11.042 -8.299 2.019 1.00 0.00 C ATOM 0 H ALA A 37 8.278 -8.340 1.486 1.00 0.00 H new ATOM 0 HA ALA A 37 10.668 -7.069 0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.041 -8.578 1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.111 -7.452 2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.583 -9.143 2.534 1.00 0.00 H new ATOM 563 N SER A 38 10.865 -9.015 -1.221 1.00 0.00 N ATOM 564 CA SER A 38 10.834 -10.023 -2.271 1.00 0.00 C ATOM 565 C SER A 38 11.456 -11.343 -1.807 1.00 0.00 C ATOM 566 O SER A 38 11.211 -12.392 -2.405 1.00 0.00 O ATOM 567 CB SER A 38 11.554 -9.497 -3.529 1.00 0.00 C ATOM 568 OG SER A 38 11.489 -10.427 -4.619 1.00 0.00 O ATOM 0 H SER A 38 11.530 -8.261 -1.393 1.00 0.00 H new ATOM 0 HA SER A 38 9.790 -10.223 -2.514 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.106 -8.551 -3.833 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.598 -9.293 -3.290 1.00 0.00 H new ATOM 0 HG SER A 38 11.956 -10.054 -5.396 1.00 0.00 H new ATOM 574 N TRP A 39 12.255 -11.286 -0.754 1.00 0.00 N ATOM 575 CA TRP A 39 12.900 -12.480 -0.223 1.00 0.00 C ATOM 576 C TRP A 39 12.006 -13.228 0.755 1.00 0.00 C ATOM 577 O TRP A 39 12.341 -14.315 1.220 1.00 0.00 O ATOM 578 CB TRP A 39 14.275 -12.152 0.391 1.00 0.00 C ATOM 579 CG TRP A 39 14.264 -11.067 1.419 1.00 0.00 C ATOM 580 CD1 TRP A 39 14.615 -9.780 1.215 1.00 0.00 C ATOM 581 CD2 TRP A 39 13.891 -11.169 2.804 1.00 0.00 C ATOM 582 NE1 TRP A 39 14.492 -9.064 2.372 1.00 0.00 N ATOM 583 CE2 TRP A 39 14.044 -9.891 3.364 1.00 0.00 C ATOM 584 CE3 TRP A 39 13.438 -12.211 3.621 1.00 0.00 C ATOM 585 CZ2 TRP A 39 13.768 -9.622 4.699 1.00 0.00 C ATOM 586 CZ3 TRP A 39 13.163 -11.944 4.945 1.00 0.00 C ATOM 587 CH2 TRP A 39 13.326 -10.659 5.470 1.00 0.00 C ATOM 0 H TRP A 39 12.474 -10.427 -0.249 1.00 0.00 H new ATOM 0 HA TRP A 39 13.071 -13.152 -1.064 1.00 0.00 H new ATOM 0 HB2 TRP A 39 14.679 -13.057 0.844 1.00 0.00 H new ATOM 0 HB3 TRP A 39 14.955 -11.866 -0.411 1.00 0.00 H new ATOM 0 HD1 TRP A 39 14.946 -9.374 0.271 1.00 0.00 H new ATOM 0 HE1 TRP A 39 14.701 -8.071 2.479 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.306 -13.206 3.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 13.898 -8.632 5.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 12.816 -12.740 5.587 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.097 -10.482 6.510 1.00 0.00 H new ATOM 598 N CYS A 40 10.878 -12.647 1.055 1.00 0.00 N ATOM 599 CA CYS A 40 9.924 -13.258 1.935 1.00 0.00 C ATOM 600 C CYS A 40 8.865 -13.960 1.110 1.00 0.00 C ATOM 601 O CYS A 40 8.231 -13.337 0.270 1.00 0.00 O ATOM 602 CB CYS A 40 9.308 -12.210 2.868 1.00 0.00 C ATOM 603 SG CYS A 40 7.907 -12.809 3.872 1.00 0.00 S ATOM 0 H CYS A 40 10.595 -11.735 0.695 1.00 0.00 H new ATOM 0 HA CYS A 40 10.422 -13.997 2.563 1.00 0.00 H new ATOM 0 HB2 CYS A 40 10.084 -11.839 3.537 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.972 -11.363 2.269 1.00 0.00 H new ATOM 608 N GLY A 41 8.686 -15.247 1.361 1.00 0.00 N ATOM 609 CA GLY A 41 7.771 -16.086 0.578 1.00 0.00 C ATOM 610 C GLY A 41 6.340 -15.562 0.495 1.00 0.00 C ATOM 611 O GLY A 41 5.919 -15.088 -0.563 1.00 0.00 O ATOM 0 H GLY A 41 9.166 -15.746 2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.166 -16.186 -0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.753 -17.085 1.013 1.00 0.00 H new ATOM 615 N PRO A 42 5.561 -15.624 1.605 1.00 0.00 N ATOM 616 CA PRO A 42 4.163 -15.150 1.630 1.00 0.00 C ATOM 617 C PRO A 42 4.064 -13.689 1.221 1.00 0.00 C ATOM 618 O PRO A 42 3.079 -13.253 0.629 1.00 0.00 O ATOM 619 CB PRO A 42 3.760 -15.306 3.101 1.00 0.00 C ATOM 620 CG PRO A 42 4.673 -16.349 3.636 1.00 0.00 C ATOM 621 CD PRO A 42 5.972 -16.171 2.913 1.00 0.00 C ATOM 0 HA PRO A 42 3.527 -15.703 0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.871 -14.367 3.643 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.717 -15.607 3.196 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.807 -16.236 4.712 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.267 -17.346 3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.637 -15.489 3.443 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.505 -17.116 2.804 1.00 0.00 H new ATOM 629 N CYS A 43 5.106 -12.959 1.522 1.00 0.00 N ATOM 630 CA CYS A 43 5.196 -11.546 1.241 1.00 0.00 C ATOM 631 C CYS A 43 5.292 -11.296 -0.272 1.00 0.00 C ATOM 632 O CYS A 43 4.730 -10.341 -0.790 1.00 0.00 O ATOM 633 CB CYS A 43 6.434 -10.999 1.916 1.00 0.00 C ATOM 634 SG CYS A 43 6.530 -11.333 3.702 1.00 0.00 S ATOM 0 H CYS A 43 5.936 -13.337 1.980 1.00 0.00 H new ATOM 0 HA CYS A 43 4.301 -11.049 1.617 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.314 -11.423 1.432 1.00 0.00 H new ATOM 0 HB3 CYS A 43 6.472 -9.921 1.758 1.00 0.00 H new ATOM 639 N ARG A 44 6.013 -12.152 -0.953 1.00 0.00 N ATOM 640 CA ARG A 44 6.189 -12.055 -2.386 1.00 0.00 C ATOM 641 C ARG A 44 4.946 -12.589 -3.085 1.00 0.00 C ATOM 642 O ARG A 44 4.487 -12.038 -4.078 1.00 0.00 O ATOM 643 CB ARG A 44 7.426 -12.860 -2.780 1.00 0.00 C ATOM 644 CG ARG A 44 7.807 -12.819 -4.245 1.00 0.00 C ATOM 645 CD ARG A 44 9.055 -13.651 -4.467 1.00 0.00 C ATOM 646 NE ARG A 44 9.508 -13.656 -5.857 1.00 0.00 N ATOM 647 CZ ARG A 44 10.585 -14.340 -6.288 1.00 0.00 C ATOM 648 NH1 ARG A 44 11.327 -15.038 -5.426 1.00 0.00 N ATOM 649 NH2 ARG A 44 10.923 -14.322 -7.573 1.00 0.00 N ATOM 0 H ARG A 44 6.499 -12.942 -0.528 1.00 0.00 H new ATOM 0 HA ARG A 44 6.330 -11.017 -2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.272 -12.498 -2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.264 -13.900 -2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.989 -13.202 -4.855 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.983 -11.790 -4.557 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.855 -13.269 -3.833 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.860 -14.676 -4.152 1.00 0.00 H new ATOM 0 HE ARG A 44 8.979 -13.111 -6.538 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.079 -15.055 -4.437 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.142 -15.555 -5.756 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.365 -13.788 -8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.740 -14.842 -7.893 1.00 0.00 H new ATOM 663 N PHE A 45 4.392 -13.644 -2.523 1.00 0.00 N ATOM 664 CA PHE A 45 3.209 -14.312 -3.057 1.00 0.00 C ATOM 665 C PHE A 45 1.950 -13.420 -2.976 1.00 0.00 C ATOM 666 O PHE A 45 1.015 -13.565 -3.780 1.00 0.00 O ATOM 667 CB PHE A 45 2.994 -15.633 -2.293 1.00 0.00 C ATOM 668 CG PHE A 45 1.828 -16.468 -2.756 1.00 0.00 C ATOM 669 CD1 PHE A 45 1.919 -17.212 -3.922 1.00 0.00 C ATOM 670 CD2 PHE A 45 0.646 -16.523 -2.017 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.864 -17.993 -4.345 1.00 0.00 C ATOM 672 CE2 PHE A 45 -0.411 -17.302 -2.444 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.301 -18.039 -3.608 1.00 0.00 C ATOM 0 H PHE A 45 4.752 -14.072 -1.670 1.00 0.00 H new ATOM 0 HA PHE A 45 3.376 -14.518 -4.114 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.902 -16.231 -2.374 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.857 -15.403 -1.236 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.827 -17.180 -4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.557 -15.952 -1.104 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.950 -18.569 -5.254 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.324 -17.335 -1.868 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.127 -18.651 -3.940 1.00 0.00 H new ATOM 683 N ILE A 46 1.927 -12.502 -2.028 1.00 0.00 N ATOM 684 CA ILE A 46 0.753 -11.659 -1.823 1.00 0.00 C ATOM 685 C ILE A 46 0.825 -10.393 -2.719 1.00 0.00 C ATOM 686 O ILE A 46 -0.201 -9.806 -3.074 1.00 0.00 O ATOM 687 CB ILE A 46 0.625 -11.240 -0.315 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.743 -10.650 0.001 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.712 -10.267 0.091 1.00 0.00 C ATOM 690 CD1 ILE A 46 -1.854 -11.661 -0.062 1.00 0.00 C ATOM 0 H ILE A 46 2.700 -12.318 -1.389 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.128 -12.237 -2.101 1.00 0.00 H new ATOM 0 HB ILE A 46 0.744 -12.155 0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.719 -10.208 0.997 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.954 -9.843 -0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.589 -10.001 1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.688 -10.730 -0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.643 -9.368 -0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.801 -11.176 0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.903 -12.086 -1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.664 -12.456 0.660 1.00 0.00 H new ATOM 702 N ALA A 47 2.040 -10.035 -3.118 1.00 0.00 N ATOM 703 CA ALA A 47 2.310 -8.804 -3.878 1.00 0.00 C ATOM 704 C ALA A 47 1.524 -8.668 -5.223 1.00 0.00 C ATOM 705 O ALA A 47 0.948 -7.605 -5.486 1.00 0.00 O ATOM 706 CB ALA A 47 3.810 -8.601 -4.076 1.00 0.00 C ATOM 0 H ALA A 47 2.875 -10.588 -2.926 1.00 0.00 H new ATOM 0 HA ALA A 47 1.922 -7.996 -3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.982 -7.684 -4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.298 -8.526 -3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.222 -9.448 -4.625 1.00 0.00 H new ATOM 712 N PRO A 48 1.474 -9.725 -6.110 1.00 0.00 N ATOM 713 CA PRO A 48 0.735 -9.642 -7.395 1.00 0.00 C ATOM 714 C PRO A 48 -0.757 -9.300 -7.207 1.00 0.00 C ATOM 715 O PRO A 48 -1.387 -8.676 -8.080 1.00 0.00 O ATOM 716 CB PRO A 48 0.890 -11.045 -7.983 1.00 0.00 C ATOM 717 CG PRO A 48 2.130 -11.574 -7.361 1.00 0.00 C ATOM 718 CD PRO A 48 2.137 -11.041 -5.966 1.00 0.00 C ATOM 0 HA PRO A 48 1.124 -8.848 -8.032 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.030 -11.671 -7.748 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.973 -11.013 -9.069 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.136 -12.664 -7.364 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.014 -11.248 -7.910 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.595 -11.694 -5.282 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.150 -10.942 -5.577 1.00 0.00 H new ATOM 726 N PHE A 49 -1.295 -9.684 -6.058 1.00 0.00 N ATOM 727 CA PHE A 49 -2.684 -9.416 -5.715 1.00 0.00 C ATOM 728 C PHE A 49 -2.899 -7.919 -5.467 1.00 0.00 C ATOM 729 O PHE A 49 -3.903 -7.348 -5.881 1.00 0.00 O ATOM 730 CB PHE A 49 -3.096 -10.250 -4.487 1.00 0.00 C ATOM 731 CG PHE A 49 -4.470 -9.945 -3.956 1.00 0.00 C ATOM 732 CD1 PHE A 49 -5.597 -10.269 -4.683 1.00 0.00 C ATOM 733 CD2 PHE A 49 -4.626 -9.320 -2.728 1.00 0.00 C ATOM 734 CE1 PHE A 49 -6.854 -9.978 -4.200 1.00 0.00 C ATOM 735 CE2 PHE A 49 -5.882 -9.027 -2.241 1.00 0.00 C ATOM 736 CZ PHE A 49 -6.997 -9.356 -2.979 1.00 0.00 C ATOM 0 H PHE A 49 -0.780 -10.190 -5.337 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.317 -9.707 -6.553 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.048 -11.307 -4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.369 -10.086 -3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.493 -10.756 -5.641 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.754 -9.060 -2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.728 -10.238 -4.779 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.991 -8.541 -1.283 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.982 -9.127 -2.601 1.00 0.00 H new ATOM 746 N PHE A 50 -1.931 -7.291 -4.831 1.00 0.00 N ATOM 747 CA PHE A 50 -1.999 -5.865 -4.516 1.00 0.00 C ATOM 748 C PHE A 50 -1.922 -5.051 -5.814 1.00 0.00 C ATOM 749 O PHE A 50 -2.548 -3.998 -5.942 1.00 0.00 O ATOM 750 CB PHE A 50 -0.864 -5.499 -3.542 1.00 0.00 C ATOM 751 CG PHE A 50 -0.893 -4.091 -3.012 1.00 0.00 C ATOM 752 CD1 PHE A 50 -1.752 -3.748 -1.979 1.00 0.00 C ATOM 753 CD2 PHE A 50 -0.058 -3.117 -3.531 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.776 -2.466 -1.475 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.078 -1.831 -3.027 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.938 -1.505 -2.000 1.00 0.00 C ATOM 0 H PHE A 50 -1.075 -7.746 -4.516 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.945 -5.630 -4.029 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.898 -6.187 -2.697 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.089 -5.659 -4.046 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.411 -4.496 -1.564 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.616 -3.365 -4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.450 -2.214 -0.670 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.581 -1.080 -3.438 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.955 -0.499 -1.607 1.00 0.00 H new ATOM 766 N ALA A 51 -1.170 -5.566 -6.777 1.00 0.00 N ATOM 767 CA ALA A 51 -1.070 -4.939 -8.088 1.00 0.00 C ATOM 768 C ALA A 51 -2.414 -5.033 -8.833 1.00 0.00 C ATOM 769 O ALA A 51 -2.762 -4.157 -9.624 1.00 0.00 O ATOM 770 CB ALA A 51 0.045 -5.584 -8.904 1.00 0.00 C ATOM 0 H ALA A 51 -0.619 -6.418 -6.675 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.828 -3.885 -7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.106 -5.104 -9.881 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.994 -5.465 -8.381 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.167 -6.645 -9.034 1.00 0.00 H new ATOM 776 N ASP A 52 -3.166 -6.090 -8.553 1.00 0.00 N ATOM 777 CA ASP A 52 -4.496 -6.304 -9.164 1.00 0.00 C ATOM 778 C ASP A 52 -5.482 -5.376 -8.557 1.00 0.00 C ATOM 779 O ASP A 52 -6.304 -4.769 -9.250 1.00 0.00 O ATOM 780 CB ASP A 52 -4.960 -7.721 -8.942 1.00 0.00 C ATOM 781 CG ASP A 52 -6.304 -7.999 -9.585 1.00 0.00 C ATOM 782 OD1 ASP A 52 -6.360 -8.119 -10.833 1.00 0.00 O ATOM 783 OD2 ASP A 52 -7.310 -8.125 -8.859 1.00 0.00 O ATOM 0 H ASP A 52 -2.885 -6.824 -7.903 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.415 -6.116 -10.235 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.218 -8.410 -9.346 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.026 -7.915 -7.871 1.00 0.00 H new ATOM 788 N LEU A 53 -5.392 -5.269 -7.260 1.00 0.00 N ATOM 789 CA LEU A 53 -6.195 -4.382 -6.483 1.00 0.00 C ATOM 790 C LEU A 53 -6.126 -2.956 -7.018 1.00 0.00 C ATOM 791 O LEU A 53 -7.131 -2.243 -7.026 1.00 0.00 O ATOM 792 CB LEU A 53 -5.726 -4.426 -5.042 1.00 0.00 C ATOM 793 CG LEU A 53 -5.991 -5.693 -4.255 1.00 0.00 C ATOM 794 CD1 LEU A 53 -5.491 -5.531 -2.828 1.00 0.00 C ATOM 795 CD2 LEU A 53 -7.476 -6.035 -4.266 1.00 0.00 C ATOM 0 H LEU A 53 -4.736 -5.816 -6.703 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.234 -4.704 -6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.651 -4.244 -5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.194 -3.597 -4.511 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.452 -6.515 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.685 -6.446 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.419 -5.332 -2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.010 -4.698 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.643 -6.948 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.041 -5.218 -3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.807 -6.184 -5.294 1.00 0.00 H new ATOM 807 N ALA A 54 -4.945 -2.565 -7.489 1.00 0.00 N ATOM 808 CA ALA A 54 -4.718 -1.242 -8.059 1.00 0.00 C ATOM 809 C ALA A 54 -5.613 -0.990 -9.271 1.00 0.00 C ATOM 810 O ALA A 54 -6.016 0.138 -9.536 1.00 0.00 O ATOM 811 CB ALA A 54 -3.254 -1.077 -8.433 1.00 0.00 C ATOM 0 H ALA A 54 -4.116 -3.160 -7.486 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.977 -0.502 -7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.096 -0.086 -8.858 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.636 -1.193 -7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.978 -1.834 -9.167 1.00 0.00 H new ATOM 817 N LYS A 55 -5.898 -2.039 -10.010 1.00 0.00 N ATOM 818 CA LYS A 55 -6.753 -1.945 -11.182 1.00 0.00 C ATOM 819 C LYS A 55 -8.224 -1.933 -10.774 1.00 0.00 C ATOM 820 O LYS A 55 -9.060 -1.326 -11.437 1.00 0.00 O ATOM 821 CB LYS A 55 -6.460 -3.126 -12.104 1.00 0.00 C ATOM 822 CG LYS A 55 -7.271 -3.175 -13.383 1.00 0.00 C ATOM 823 CD LYS A 55 -6.933 -4.427 -14.161 1.00 0.00 C ATOM 824 CE LYS A 55 -7.702 -4.510 -15.456 1.00 0.00 C ATOM 825 NZ LYS A 55 -7.386 -5.749 -16.192 1.00 0.00 N ATOM 0 H LYS A 55 -5.548 -2.978 -9.821 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.547 -1.013 -11.709 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.402 -3.105 -12.366 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.633 -4.048 -11.550 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.336 -3.158 -13.149 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.064 -2.293 -13.989 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.864 -4.446 -14.372 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.153 -5.304 -13.552 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.771 -4.471 -15.249 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.466 -3.646 -16.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.931 -5.775 -17.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.369 -5.773 -16.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.635 -6.573 -15.608 1.00 0.00 H new ATOM 839 N LYS A 56 -8.517 -2.597 -9.681 1.00 0.00 N ATOM 840 CA LYS A 56 -9.878 -2.742 -9.219 1.00 0.00 C ATOM 841 C LYS A 56 -10.379 -1.447 -8.573 1.00 0.00 C ATOM 842 O LYS A 56 -11.584 -1.129 -8.627 1.00 0.00 O ATOM 843 CB LYS A 56 -9.967 -3.930 -8.249 1.00 0.00 C ATOM 844 CG LYS A 56 -11.375 -4.293 -7.810 1.00 0.00 C ATOM 845 CD LYS A 56 -11.364 -5.542 -6.946 1.00 0.00 C ATOM 846 CE LYS A 56 -12.774 -5.978 -6.557 1.00 0.00 C ATOM 847 NZ LYS A 56 -13.476 -4.958 -5.750 1.00 0.00 N ATOM 0 H LYS A 56 -7.822 -3.051 -9.088 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.526 -2.943 -10.072 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.514 -4.801 -8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.373 -3.703 -7.364 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.813 -3.464 -7.254 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.003 -4.456 -8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.869 -6.351 -7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.780 -5.355 -6.045 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.350 -6.183 -7.459 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.721 -6.910 -5.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.372 -5.351 -5.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.879 -4.681 -4.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.672 -4.124 -6.339 1.00 0.00 H new ATOM 861 N LEU A 57 -9.465 -0.695 -7.972 1.00 0.00 N ATOM 862 CA LEU A 57 -9.792 0.552 -7.349 1.00 0.00 C ATOM 863 C LEU A 57 -9.008 1.721 -7.957 1.00 0.00 C ATOM 864 O LEU A 57 -7.951 2.097 -7.464 1.00 0.00 O ATOM 865 CB LEU A 57 -9.552 0.455 -5.860 1.00 0.00 C ATOM 866 CG LEU A 57 -10.415 -0.559 -5.126 1.00 0.00 C ATOM 867 CD1 LEU A 57 -9.950 -0.723 -3.688 1.00 0.00 C ATOM 868 CD2 LEU A 57 -11.872 -0.137 -5.143 1.00 0.00 C ATOM 0 H LEU A 57 -8.478 -0.946 -7.911 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.848 0.755 -7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.505 0.204 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.719 1.437 -5.417 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.316 -1.514 -5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.582 -1.453 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.916 -1.068 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.018 0.235 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.471 -0.877 -4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.976 0.832 -4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.217 -0.063 -6.174 1.00 0.00 H new ATOM 880 N PRO A 58 -9.500 2.272 -9.082 1.00 0.00 N ATOM 881 CA PRO A 58 -8.869 3.420 -9.771 1.00 0.00 C ATOM 882 C PRO A 58 -8.884 4.720 -8.943 1.00 0.00 C ATOM 883 O PRO A 58 -8.102 5.637 -9.200 1.00 0.00 O ATOM 884 CB PRO A 58 -9.738 3.595 -11.029 1.00 0.00 C ATOM 885 CG PRO A 58 -11.040 2.960 -10.671 1.00 0.00 C ATOM 886 CD PRO A 58 -10.680 1.789 -9.811 1.00 0.00 C ATOM 0 HA PRO A 58 -7.814 3.229 -9.966 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.865 4.648 -11.281 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.285 3.112 -11.895 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.685 3.658 -10.137 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.582 2.643 -11.562 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.491 1.519 -9.135 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.454 0.904 -10.406 1.00 0.00 H new ATOM 894 N ASN A 59 -9.760 4.795 -7.950 1.00 0.00 N ATOM 895 CA ASN A 59 -9.876 6.014 -7.136 1.00 0.00 C ATOM 896 C ASN A 59 -8.959 5.923 -5.903 1.00 0.00 C ATOM 897 O ASN A 59 -9.007 6.754 -5.003 1.00 0.00 O ATOM 898 CB ASN A 59 -11.339 6.232 -6.695 1.00 0.00 C ATOM 899 CG ASN A 59 -11.592 7.606 -6.055 1.00 0.00 C ATOM 900 OD1 ASN A 59 -10.968 8.597 -6.410 1.00 0.00 O ATOM 901 ND2 ASN A 59 -12.499 7.665 -5.110 1.00 0.00 N ATOM 0 H ASN A 59 -10.395 4.042 -7.685 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.565 6.864 -7.743 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.991 6.119 -7.561 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.615 5.453 -5.984 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.700 8.553 -4.651 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.004 6.823 -4.834 1.00 0.00 H new ATOM 908 N VAL A 60 -8.126 4.913 -5.867 1.00 0.00 N ATOM 909 CA VAL A 60 -7.212 4.718 -4.763 1.00 0.00 C ATOM 910 C VAL A 60 -5.782 4.689 -5.281 1.00 0.00 C ATOM 911 O VAL A 60 -5.503 4.075 -6.307 1.00 0.00 O ATOM 912 CB VAL A 60 -7.520 3.398 -3.983 1.00 0.00 C ATOM 913 CG1 VAL A 60 -6.521 3.174 -2.856 1.00 0.00 C ATOM 914 CG2 VAL A 60 -8.935 3.422 -3.424 1.00 0.00 C ATOM 0 H VAL A 60 -8.060 4.204 -6.597 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.339 5.551 -4.071 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.431 2.572 -4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.763 2.248 -2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.515 3.105 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.569 4.008 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.129 2.495 -2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.043 4.267 -2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.648 3.522 -4.242 1.00 0.00 H new ATOM 924 N LEU A 61 -4.894 5.391 -4.612 1.00 0.00 N ATOM 925 CA LEU A 61 -3.518 5.377 -4.976 1.00 0.00 C ATOM 926 C LEU A 61 -2.813 4.260 -4.236 1.00 0.00 C ATOM 927 O LEU A 61 -2.731 4.272 -3.015 1.00 0.00 O ATOM 928 CB LEU A 61 -2.838 6.725 -4.662 1.00 0.00 C ATOM 929 CG LEU A 61 -3.176 7.949 -5.553 1.00 0.00 C ATOM 930 CD1 LEU A 61 -4.629 8.361 -5.442 1.00 0.00 C ATOM 931 CD2 LEU A 61 -2.265 9.120 -5.215 1.00 0.00 C ATOM 0 H LEU A 61 -5.115 5.979 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.450 5.211 -6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.081 6.987 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.760 6.571 -4.706 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.006 7.649 -6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.813 9.222 -6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.267 7.533 -5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.854 8.625 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.515 9.971 -5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.399 9.395 -4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.227 8.834 -5.385 1.00 0.00 H new ATOM 943 N PHE A 62 -2.335 3.297 -4.967 1.00 0.00 N ATOM 944 CA PHE A 62 -1.611 2.189 -4.386 1.00 0.00 C ATOM 945 C PHE A 62 -0.127 2.464 -4.509 1.00 0.00 C ATOM 946 O PHE A 62 0.353 2.934 -5.554 1.00 0.00 O ATOM 947 CB PHE A 62 -1.925 0.876 -5.113 1.00 0.00 C ATOM 948 CG PHE A 62 -3.358 0.410 -5.002 1.00 0.00 C ATOM 949 CD1 PHE A 62 -4.395 1.121 -5.583 1.00 0.00 C ATOM 950 CD2 PHE A 62 -3.661 -0.731 -4.283 1.00 0.00 C ATOM 951 CE1 PHE A 62 -5.698 0.697 -5.448 1.00 0.00 C ATOM 952 CE2 PHE A 62 -4.962 -1.152 -4.140 1.00 0.00 C ATOM 953 CZ PHE A 62 -5.982 -0.439 -4.722 1.00 0.00 C ATOM 0 H PHE A 62 -2.432 3.251 -5.981 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.910 2.089 -3.343 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.678 0.995 -6.168 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.274 0.096 -4.719 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.180 2.016 -6.147 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.864 -1.300 -3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.498 1.255 -5.912 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.182 -2.043 -3.570 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.005 -0.768 -4.611 1.00 0.00 H new ATOM 963 N LEU A 63 0.578 2.162 -3.485 1.00 0.00 N ATOM 964 CA LEU A 63 1.999 2.386 -3.410 1.00 0.00 C ATOM 965 C LEU A 63 2.692 1.188 -2.842 1.00 0.00 C ATOM 966 O LEU A 63 2.191 0.547 -1.918 1.00 0.00 O ATOM 967 CB LEU A 63 2.278 3.623 -2.586 1.00 0.00 C ATOM 968 CG LEU A 63 1.900 4.929 -3.256 1.00 0.00 C ATOM 969 CD1 LEU A 63 1.808 6.029 -2.229 1.00 0.00 C ATOM 970 CD2 LEU A 63 2.968 5.313 -4.245 1.00 0.00 C ATOM 0 H LEU A 63 0.186 1.739 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 63 2.389 2.545 -4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.737 3.544 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.340 3.649 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 63 0.940 4.797 -3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.536 6.963 -2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.049 5.774 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.772 6.146 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.697 6.252 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.919 5.433 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.063 4.532 -4.999 1.00 0.00 H new ATOM 982 N LYS A 64 3.827 0.891 -3.385 1.00 0.00 N ATOM 983 CA LYS A 64 4.553 -0.280 -3.018 1.00 0.00 C ATOM 984 C LYS A 64 5.912 0.153 -2.466 1.00 0.00 C ATOM 985 O LYS A 64 6.618 0.964 -3.083 1.00 0.00 O ATOM 986 CB LYS A 64 4.702 -1.170 -4.285 1.00 0.00 C ATOM 987 CG LYS A 64 5.083 -2.630 -4.047 1.00 0.00 C ATOM 988 CD LYS A 64 6.434 -2.779 -3.416 1.00 0.00 C ATOM 989 CE LYS A 64 6.737 -4.211 -3.132 1.00 0.00 C ATOM 990 NZ LYS A 64 8.040 -4.358 -2.468 1.00 0.00 N ATOM 0 H LYS A 64 4.280 1.459 -4.101 1.00 0.00 H new ATOM 0 HA LYS A 64 4.039 -0.856 -2.249 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.759 -1.147 -4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.456 -0.721 -4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.334 -3.097 -3.407 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.069 -3.164 -4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.196 -2.367 -4.078 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.472 -2.205 -2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.955 -4.632 -2.501 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.735 -4.777 -4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.201 -5.359 -2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.793 -4.024 -3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.049 -3.795 -1.593 1.00 0.00 H new ATOM 1004 N VAL A 65 6.253 -0.355 -1.309 1.00 0.00 N ATOM 1005 CA VAL A 65 7.511 -0.070 -0.667 1.00 0.00 C ATOM 1006 C VAL A 65 8.291 -1.368 -0.458 1.00 0.00 C ATOM 1007 O VAL A 65 7.724 -2.410 -0.091 1.00 0.00 O ATOM 1008 CB VAL A 65 7.298 0.641 0.709 1.00 0.00 C ATOM 1009 CG1 VAL A 65 8.619 0.882 1.431 1.00 0.00 C ATOM 1010 CG2 VAL A 65 6.567 1.957 0.518 1.00 0.00 C ATOM 0 H VAL A 65 5.655 -0.988 -0.778 1.00 0.00 H new ATOM 0 HA VAL A 65 8.076 0.601 -1.314 1.00 0.00 H new ATOM 0 HB VAL A 65 6.693 -0.022 1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.428 1.378 2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.114 -0.072 1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.260 1.513 0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.427 2.439 1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.153 2.608 -0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.595 1.770 0.061 1.00 0.00 H new ATOM 1020 N ASP A 66 9.563 -1.326 -0.729 1.00 0.00 N ATOM 1021 CA ASP A 66 10.415 -2.458 -0.481 1.00 0.00 C ATOM 1022 C ASP A 66 11.255 -2.187 0.735 1.00 0.00 C ATOM 1023 O ASP A 66 12.001 -1.216 0.769 1.00 0.00 O ATOM 1024 CB ASP A 66 11.293 -2.764 -1.662 1.00 0.00 C ATOM 1025 CG ASP A 66 12.211 -3.922 -1.385 1.00 0.00 C ATOM 1026 OD1 ASP A 66 11.760 -5.073 -1.434 1.00 0.00 O ATOM 1027 OD2 ASP A 66 13.392 -3.697 -1.123 1.00 0.00 O ATOM 0 H ASP A 66 10.038 -0.515 -1.125 1.00 0.00 H new ATOM 0 HA ASP A 66 9.785 -3.331 -0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.672 -2.991 -2.529 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.884 -1.883 -1.915 1.00 0.00 H new ATOM 1032 N THR A 67 11.112 -3.019 1.736 1.00 0.00 N ATOM 1033 CA THR A 67 11.809 -2.830 2.999 1.00 0.00 C ATOM 1034 C THR A 67 13.318 -3.149 2.918 1.00 0.00 C ATOM 1035 O THR A 67 14.076 -2.861 3.842 1.00 0.00 O ATOM 1036 CB THR A 67 11.099 -3.569 4.176 1.00 0.00 C ATOM 1037 OG1 THR A 67 11.797 -3.385 5.410 1.00 0.00 O ATOM 1038 CG2 THR A 67 10.937 -5.052 3.900 1.00 0.00 C ATOM 0 H THR A 67 10.514 -3.845 1.707 1.00 0.00 H new ATOM 0 HA THR A 67 11.752 -1.764 3.218 1.00 0.00 H new ATOM 0 HB THR A 67 10.108 -3.124 4.262 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.722 -3.118 5.226 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.438 -5.527 4.745 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.338 -5.191 3.000 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.918 -5.505 3.756 1.00 0.00 H new ATOM 1046 N ASP A 68 13.754 -3.744 1.840 1.00 0.00 N ATOM 1047 CA ASP A 68 15.177 -3.987 1.685 1.00 0.00 C ATOM 1048 C ASP A 68 15.837 -2.724 1.215 1.00 0.00 C ATOM 1049 O ASP A 68 16.861 -2.298 1.756 1.00 0.00 O ATOM 1050 CB ASP A 68 15.455 -5.115 0.715 1.00 0.00 C ATOM 1051 CG ASP A 68 16.938 -5.365 0.540 1.00 0.00 C ATOM 1052 OD1 ASP A 68 17.589 -5.809 1.495 1.00 0.00 O ATOM 1053 OD2 ASP A 68 17.462 -5.156 -0.575 1.00 0.00 O ATOM 0 H ASP A 68 13.168 -4.065 1.070 1.00 0.00 H new ATOM 0 HA ASP A 68 15.583 -4.288 2.651 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.974 -6.026 1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.011 -4.878 -0.252 1.00 0.00 H new ATOM 1058 N GLU A 69 15.235 -2.126 0.220 1.00 0.00 N ATOM 1059 CA GLU A 69 15.656 -0.875 -0.315 1.00 0.00 C ATOM 1060 C GLU A 69 15.402 0.276 0.660 1.00 0.00 C ATOM 1061 O GLU A 69 16.337 0.974 1.069 1.00 0.00 O ATOM 1062 CB GLU A 69 14.954 -0.632 -1.634 1.00 0.00 C ATOM 1063 CG GLU A 69 15.456 -1.495 -2.782 1.00 0.00 C ATOM 1064 CD GLU A 69 14.727 -1.240 -4.083 1.00 0.00 C ATOM 1065 OE1 GLU A 69 14.922 -0.168 -4.685 1.00 0.00 O ATOM 1066 OE2 GLU A 69 13.942 -2.110 -4.529 1.00 0.00 O ATOM 0 H GLU A 69 14.416 -2.514 -0.248 1.00 0.00 H new ATOM 0 HA GLU A 69 16.733 -0.915 -0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.887 -0.810 -1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.071 0.417 -1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 69 16.520 -1.311 -2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.348 -2.546 -2.512 1.00 0.00 H new ATOM 1073 N LEU A 70 14.153 0.457 1.051 1.00 0.00 N ATOM 1074 CA LEU A 70 13.751 1.515 1.936 1.00 0.00 C ATOM 1075 C LEU A 70 13.696 1.021 3.364 1.00 0.00 C ATOM 1076 O LEU A 70 12.730 1.266 4.093 1.00 0.00 O ATOM 1077 CB LEU A 70 12.396 2.085 1.509 1.00 0.00 C ATOM 1078 CG LEU A 70 12.375 3.005 0.279 1.00 0.00 C ATOM 1079 CD1 LEU A 70 12.739 2.264 -0.982 1.00 0.00 C ATOM 1080 CD2 LEU A 70 11.028 3.694 0.130 1.00 0.00 C ATOM 0 H LEU A 70 13.383 -0.142 0.753 1.00 0.00 H new ATOM 0 HA LEU A 70 14.492 2.312 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.724 1.249 1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.982 2.639 2.352 1.00 0.00 H new ATOM 0 HG LEU A 70 13.133 3.771 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.712 2.951 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.742 1.849 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.026 1.456 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.044 4.338 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.246 2.943 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.827 4.295 1.017 1.00 0.00 H new ATOM 1092 N LYS A 71 14.770 0.383 3.761 1.00 0.00 N ATOM 1093 CA LYS A 71 14.944 -0.208 5.079 1.00 0.00 C ATOM 1094 C LYS A 71 14.779 0.918 6.136 1.00 0.00 C ATOM 1095 O LYS A 71 14.088 0.754 7.136 1.00 0.00 O ATOM 1096 CB LYS A 71 16.380 -0.813 5.105 1.00 0.00 C ATOM 1097 CG LYS A 71 16.687 -2.052 6.012 1.00 0.00 C ATOM 1098 CD LYS A 71 16.577 -1.844 7.525 1.00 0.00 C ATOM 1099 CE LYS A 71 15.153 -1.836 8.039 1.00 0.00 C ATOM 1100 NZ LYS A 71 15.114 -1.633 9.504 1.00 0.00 N ATOM 0 H LYS A 71 15.582 0.253 3.157 1.00 0.00 H new ATOM 0 HA LYS A 71 14.214 -0.987 5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.635 -1.088 4.082 1.00 0.00 H new ATOM 0 HB3 LYS A 71 17.063 -0.017 5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 71 16.008 -2.856 5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 71 17.697 -2.394 5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 71 17.132 -2.633 8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.054 -0.900 7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.590 -1.045 7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.667 -2.779 7.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.131 -1.480 9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.496 -2.474 9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.687 -0.802 9.755 1.00 0.00 H new ATOM 1114 N SER A 72 15.370 2.062 5.860 1.00 0.00 N ATOM 1115 CA SER A 72 15.300 3.212 6.747 1.00 0.00 C ATOM 1116 C SER A 72 13.864 3.725 6.919 1.00 0.00 C ATOM 1117 O SER A 72 13.435 4.023 8.038 1.00 0.00 O ATOM 1118 CB SER A 72 16.224 4.311 6.233 1.00 0.00 C ATOM 1119 OG SER A 72 15.958 4.587 4.861 1.00 0.00 O ATOM 0 H SER A 72 15.915 2.224 5.013 1.00 0.00 H new ATOM 0 HA SER A 72 15.634 2.899 7.736 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.087 5.216 6.825 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.263 4.006 6.354 1.00 0.00 H new ATOM 0 HG SER A 72 16.558 5.295 4.548 1.00 0.00 H new ATOM 1125 N VAL A 73 13.123 3.793 5.818 1.00 0.00 N ATOM 1126 CA VAL A 73 11.741 4.268 5.841 1.00 0.00 C ATOM 1127 C VAL A 73 10.854 3.244 6.541 1.00 0.00 C ATOM 1128 O VAL A 73 9.983 3.595 7.335 1.00 0.00 O ATOM 1129 CB VAL A 73 11.200 4.553 4.407 1.00 0.00 C ATOM 1130 CG1 VAL A 73 9.762 5.070 4.448 1.00 0.00 C ATOM 1131 CG2 VAL A 73 12.097 5.549 3.682 1.00 0.00 C ATOM 0 H VAL A 73 13.457 3.524 4.893 1.00 0.00 H new ATOM 0 HA VAL A 73 11.721 5.208 6.392 1.00 0.00 H new ATOM 0 HB VAL A 73 11.206 3.611 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.414 5.259 3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.121 4.325 4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.724 5.995 5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.702 5.734 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 73 12.127 6.485 4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 73 13.105 5.141 3.604 1.00 0.00 H new ATOM 1141 N ALA A 74 11.110 1.977 6.272 1.00 0.00 N ATOM 1142 CA ALA A 74 10.373 0.898 6.900 1.00 0.00 C ATOM 1143 C ALA A 74 10.645 0.871 8.395 1.00 0.00 C ATOM 1144 O ALA A 74 9.780 0.515 9.189 1.00 0.00 O ATOM 1145 CB ALA A 74 10.730 -0.432 6.268 1.00 0.00 C ATOM 0 H ALA A 74 11.829 1.669 5.617 1.00 0.00 H new ATOM 0 HA ALA A 74 9.308 1.073 6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.166 -1.229 6.754 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.484 -0.408 5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.797 -0.617 6.389 1.00 0.00 H new ATOM 1151 N SER A 75 11.846 1.261 8.771 1.00 0.00 N ATOM 1152 CA SER A 75 12.217 1.335 10.157 1.00 0.00 C ATOM 1153 C SER A 75 11.564 2.565 10.799 1.00 0.00 C ATOM 1154 O SER A 75 11.132 2.523 11.948 1.00 0.00 O ATOM 1155 CB SER A 75 13.744 1.398 10.285 1.00 0.00 C ATOM 1156 OG SER A 75 14.168 1.338 11.637 1.00 0.00 O ATOM 0 H SER A 75 12.585 1.533 8.122 1.00 0.00 H new ATOM 0 HA SER A 75 11.866 0.444 10.678 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.189 0.573 9.729 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.108 2.320 9.832 1.00 0.00 H new ATOM 0 HG SER A 75 15.146 1.379 11.675 1.00 0.00 H new ATOM 1162 N ASP A 76 11.464 3.641 10.023 1.00 0.00 N ATOM 1163 CA ASP A 76 10.873 4.903 10.488 1.00 0.00 C ATOM 1164 C ASP A 76 9.380 4.737 10.769 1.00 0.00 C ATOM 1165 O ASP A 76 8.847 5.284 11.735 1.00 0.00 O ATOM 1166 CB ASP A 76 11.116 6.006 9.447 1.00 0.00 C ATOM 1167 CG ASP A 76 10.530 7.342 9.830 1.00 0.00 C ATOM 1168 OD1 ASP A 76 11.084 8.021 10.715 1.00 0.00 O ATOM 1169 OD2 ASP A 76 9.540 7.749 9.225 1.00 0.00 O ATOM 0 H ASP A 76 11.788 3.668 9.056 1.00 0.00 H new ATOM 0 HA ASP A 76 11.353 5.191 11.423 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.189 6.120 9.296 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.691 5.693 8.493 1.00 0.00 H new ATOM 1174 N TRP A 77 8.719 3.944 9.940 1.00 0.00 N ATOM 1175 CA TRP A 77 7.313 3.623 10.134 1.00 0.00 C ATOM 1176 C TRP A 77 7.142 2.408 11.032 1.00 0.00 C ATOM 1177 O TRP A 77 6.022 2.011 11.353 1.00 0.00 O ATOM 1178 CB TRP A 77 6.595 3.424 8.801 1.00 0.00 C ATOM 1179 CG TRP A 77 6.396 4.697 8.035 1.00 0.00 C ATOM 1180 CD1 TRP A 77 7.333 5.400 7.342 1.00 0.00 C ATOM 1181 CD2 TRP A 77 5.160 5.413 7.874 1.00 0.00 C ATOM 1182 NE1 TRP A 77 6.765 6.517 6.788 1.00 0.00 N ATOM 1183 CE2 TRP A 77 5.431 6.544 7.094 1.00 0.00 C ATOM 1184 CE3 TRP A 77 3.853 5.207 8.325 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 4.449 7.468 6.748 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 2.880 6.123 7.979 1.00 0.00 C ATOM 1187 CH2 TRP A 77 3.182 7.241 7.199 1.00 0.00 C ATOM 0 H TRP A 77 9.138 3.507 9.119 1.00 0.00 H new ATOM 0 HA TRP A 77 6.852 4.475 10.634 1.00 0.00 H new ATOM 0 HB2 TRP A 77 7.167 2.727 8.189 1.00 0.00 H new ATOM 0 HB3 TRP A 77 5.624 2.964 8.985 1.00 0.00 H new ATOM 0 HD1 TRP A 77 8.371 5.119 7.243 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.258 7.218 6.235 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.609 4.348 8.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.682 8.333 6.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.866 5.972 8.318 1.00 0.00 H new ATOM 0 HH2 TRP A 77 2.397 7.939 6.948 1.00 0.00 H new ATOM 1198 N ALA A 78 8.268 1.846 11.436 1.00 0.00 N ATOM 1199 CA ALA A 78 8.344 0.696 12.315 1.00 0.00 C ATOM 1200 C ALA A 78 7.583 -0.515 11.780 1.00 0.00 C ATOM 1201 O ALA A 78 6.516 -0.885 12.284 1.00 0.00 O ATOM 1202 CB ALA A 78 7.954 1.046 13.751 1.00 0.00 C ATOM 0 H ALA A 78 9.185 2.191 11.150 1.00 0.00 H new ATOM 0 HA ALA A 78 9.392 0.398 12.338 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.025 0.155 14.375 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.628 1.812 14.135 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.931 1.421 13.769 1.00 0.00 H new ATOM 1208 N ILE A 79 8.101 -1.078 10.719 1.00 0.00 N ATOM 1209 CA ILE A 79 7.542 -2.268 10.121 1.00 0.00 C ATOM 1210 C ILE A 79 8.473 -3.437 10.420 1.00 0.00 C ATOM 1211 O ILE A 79 9.556 -3.552 9.825 1.00 0.00 O ATOM 1212 CB ILE A 79 7.379 -2.108 8.577 1.00 0.00 C ATOM 1213 CG1 ILE A 79 6.493 -0.885 8.232 1.00 0.00 C ATOM 1214 CG2 ILE A 79 6.815 -3.380 7.940 1.00 0.00 C ATOM 1215 CD1 ILE A 79 5.085 -0.940 8.801 1.00 0.00 C ATOM 0 H ILE A 79 8.929 -0.723 10.240 1.00 0.00 H new ATOM 0 HA ILE A 79 6.552 -2.445 10.541 1.00 0.00 H new ATOM 0 HB ILE A 79 8.372 -1.937 8.161 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.983 0.017 8.599 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.429 -0.794 7.148 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.714 -3.234 6.864 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.491 -4.213 8.132 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.838 -3.600 8.370 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.539 -0.043 8.508 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.571 -1.820 8.415 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.134 -0.996 9.888 1.00 0.00 H new ATOM 1227 N GLN A 80 8.084 -4.263 11.367 1.00 0.00 N ATOM 1228 CA GLN A 80 8.895 -5.394 11.772 1.00 0.00 C ATOM 1229 C GLN A 80 8.497 -6.650 11.021 1.00 0.00 C ATOM 1230 O GLN A 80 9.343 -7.498 10.707 1.00 0.00 O ATOM 1231 CB GLN A 80 8.766 -5.674 13.278 1.00 0.00 C ATOM 1232 CG GLN A 80 9.163 -4.541 14.220 1.00 0.00 C ATOM 1233 CD GLN A 80 8.179 -3.391 14.239 1.00 0.00 C ATOM 1234 OE1 GLN A 80 8.653 -2.222 14.497 1.00 0.00 O flip ATOM 1235 NE2 GLN A 80 6.976 -3.575 14.021 1.00 0.00 N flip ATOM 0 H GLN A 80 7.204 -4.172 11.875 1.00 0.00 H new ATOM 0 HA GLN A 80 9.927 -5.132 11.538 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.731 -5.944 13.487 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.377 -6.545 13.516 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.263 -4.939 15.230 1.00 0.00 H new ATOM 0 HG3 GLN A 80 10.143 -4.164 13.927 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.632 -4.514 13.820 1.00 0.00 H new ATOM 0 HE22 GLN A 80 6.328 -2.788 14.043 1.00 0.00 H new ATOM 1244 N ALA A 81 7.223 -6.771 10.736 1.00 0.00 N ATOM 1245 CA ALA A 81 6.706 -7.957 10.105 1.00 0.00 C ATOM 1246 C ALA A 81 6.236 -7.658 8.706 1.00 0.00 C ATOM 1247 O ALA A 81 5.553 -6.660 8.464 1.00 0.00 O ATOM 1248 CB ALA A 81 5.581 -8.553 10.932 1.00 0.00 C ATOM 0 H ALA A 81 6.523 -6.056 10.933 1.00 0.00 H new ATOM 0 HA ALA A 81 7.512 -8.688 10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.203 -9.449 10.440 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.956 -8.814 11.922 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.776 -7.825 11.029 1.00 0.00 H new ATOM 1254 N MET A 82 6.610 -8.497 7.791 1.00 0.00 N ATOM 1255 CA MET A 82 6.235 -8.339 6.436 1.00 0.00 C ATOM 1256 C MET A 82 5.210 -9.366 6.043 1.00 0.00 C ATOM 1257 O MET A 82 5.219 -10.485 6.571 1.00 0.00 O ATOM 1258 CB MET A 82 7.428 -8.450 5.523 1.00 0.00 C ATOM 1259 CG MET A 82 8.413 -7.333 5.703 1.00 0.00 C ATOM 1260 SD MET A 82 9.419 -7.453 7.211 1.00 0.00 S ATOM 1261 CE MET A 82 10.247 -9.031 6.964 1.00 0.00 C ATOM 0 H MET A 82 7.190 -9.316 7.974 1.00 0.00 H new ATOM 0 HA MET A 82 5.805 -7.343 6.333 1.00 0.00 H new ATOM 0 HB2 MET A 82 7.929 -9.401 5.704 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.086 -8.462 4.488 1.00 0.00 H new ATOM 0 HG2 MET A 82 9.077 -7.308 4.839 1.00 0.00 H new ATOM 0 HG3 MET A 82 7.872 -6.387 5.716 1.00 0.00 H new ATOM 0 HE1 MET A 82 11.153 -9.065 7.569 1.00 0.00 H new ATOM 0 HE2 MET A 82 9.582 -9.841 7.262 1.00 0.00 H new ATOM 0 HE3 MET A 82 10.508 -9.144 5.912 1.00 0.00 H new ATOM 1271 N PRO A 83 4.286 -9.026 5.162 1.00 0.00 N ATOM 1272 CA PRO A 83 4.134 -7.688 4.622 1.00 0.00 C ATOM 1273 C PRO A 83 3.115 -6.885 5.434 1.00 0.00 C ATOM 1274 O PRO A 83 2.259 -7.453 6.107 1.00 0.00 O ATOM 1275 CB PRO A 83 3.587 -7.964 3.225 1.00 0.00 C ATOM 1276 CG PRO A 83 2.787 -9.217 3.369 1.00 0.00 C ATOM 1277 CD PRO A 83 3.314 -9.950 4.579 1.00 0.00 C ATOM 0 HA PRO A 83 5.057 -7.108 4.635 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.969 -7.138 2.872 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.393 -8.090 2.502 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.729 -8.985 3.491 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.877 -9.835 2.476 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.515 -10.184 5.282 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.780 -10.895 4.301 1.00 0.00 H new ATOM 1285 N THR A 84 3.230 -5.606 5.416 1.00 0.00 N ATOM 1286 CA THR A 84 2.266 -4.795 6.068 1.00 0.00 C ATOM 1287 C THR A 84 1.534 -3.966 5.043 1.00 0.00 C ATOM 1288 O THR A 84 2.156 -3.246 4.260 1.00 0.00 O ATOM 1289 CB THR A 84 2.907 -3.882 7.118 1.00 0.00 C ATOM 1290 OG1 THR A 84 3.551 -4.666 8.143 1.00 0.00 O ATOM 1291 CG2 THR A 84 1.887 -2.940 7.756 1.00 0.00 C ATOM 0 H THR A 84 3.984 -5.097 4.955 1.00 0.00 H new ATOM 0 HA THR A 84 1.566 -5.451 6.587 1.00 0.00 H new ATOM 0 HB THR A 84 3.651 -3.274 6.603 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.230 -5.243 7.735 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.385 -2.311 8.494 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.441 -2.311 6.986 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.107 -3.525 8.244 1.00 0.00 H new ATOM 1299 N PHE A 85 0.239 -4.070 5.043 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.568 -3.309 4.180 1.00 0.00 C ATOM 1301 C PHE A 85 -1.215 -2.248 5.000 1.00 0.00 C ATOM 1302 O PHE A 85 -1.928 -2.548 5.952 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.639 -4.191 3.563 1.00 0.00 C ATOM 1304 CG PHE A 85 -1.114 -5.293 2.697 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -0.829 -5.061 1.365 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -0.911 -6.562 3.213 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.352 -6.071 0.562 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.434 -7.576 2.413 1.00 0.00 C ATOM 1309 CZ PHE A 85 -0.155 -7.328 1.084 1.00 0.00 C ATOM 0 H PHE A 85 -0.280 -4.699 5.656 1.00 0.00 H new ATOM 0 HA PHE A 85 0.030 -2.876 3.378 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.237 -4.628 4.363 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.308 -3.567 2.970 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.982 -4.076 0.950 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.129 -6.758 4.252 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.132 -5.877 -0.477 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.279 -8.563 2.824 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.218 -8.122 0.454 1.00 0.00 H new ATOM 1319 N MET A 86 -0.977 -1.034 4.663 1.00 0.00 N ATOM 1320 CA MET A 86 -1.515 0.047 5.417 1.00 0.00 C ATOM 1321 C MET A 86 -2.550 0.776 4.619 1.00 0.00 C ATOM 1322 O MET A 86 -2.279 1.263 3.515 1.00 0.00 O ATOM 1323 CB MET A 86 -0.408 0.990 5.876 1.00 0.00 C ATOM 1324 CG MET A 86 -0.882 2.177 6.707 1.00 0.00 C ATOM 1325 SD MET A 86 0.478 3.235 7.253 1.00 0.00 S ATOM 1326 CE MET A 86 1.209 3.722 5.687 1.00 0.00 C ATOM 0 H MET A 86 -0.408 -0.758 3.863 1.00 0.00 H new ATOM 0 HA MET A 86 -1.997 -0.357 6.307 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.315 0.421 6.460 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.117 1.366 4.998 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.584 2.769 6.120 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.425 1.811 7.579 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.157 3.202 5.551 1.00 0.00 H new ATOM 0 HE2 MET A 86 0.532 3.462 4.873 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.382 4.798 5.685 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.717 0.832 5.166 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.814 1.485 4.596 1.00 0.00 C ATOM 1338 C PHE A 87 -4.989 2.800 5.297 1.00 0.00 C ATOM 1339 O PHE A 87 -5.244 2.863 6.509 1.00 0.00 O ATOM 1340 CB PHE A 87 -6.051 0.617 4.771 1.00 0.00 C ATOM 1341 CG PHE A 87 -6.025 -0.674 3.986 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -5.316 -1.776 4.447 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.706 -0.783 2.783 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -5.289 -2.955 3.725 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.683 -1.961 2.057 1.00 0.00 C ATOM 1346 CZ PHE A 87 -5.973 -3.048 2.530 1.00 0.00 C ATOM 0 H PHE A 87 -3.927 0.399 6.065 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.658 1.658 3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.168 0.382 5.829 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.928 1.192 4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.779 -1.711 5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.262 0.063 2.407 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.733 -3.803 4.096 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.219 -2.031 1.122 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.953 -3.969 1.966 1.00 0.00 H new ATOM 1356 N LEU A 88 -4.846 3.834 4.571 1.00 0.00 N ATOM 1357 CA LEU A 88 -4.935 5.125 5.112 1.00 0.00 C ATOM 1358 C LEU A 88 -5.730 5.993 4.164 1.00 0.00 C ATOM 1359 O LEU A 88 -5.920 5.633 3.026 1.00 0.00 O ATOM 1360 CB LEU A 88 -3.510 5.713 5.433 1.00 0.00 C ATOM 1361 CG LEU A 88 -2.465 5.895 4.304 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -1.260 6.634 4.853 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -1.988 4.562 3.752 1.00 0.00 C ATOM 0 H LEU A 88 -4.661 3.807 3.568 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.458 5.093 6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.661 6.690 5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.059 5.070 6.189 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.944 6.455 3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.522 6.764 4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.570 7.611 5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.821 6.059 5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.256 4.736 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.528 3.981 4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.837 4.012 3.345 1.00 0.00 H new ATOM 1375 N LYS A 89 -6.185 7.110 4.604 1.00 0.00 N ATOM 1376 CA LYS A 89 -6.969 7.952 3.745 1.00 0.00 C ATOM 1377 C LYS A 89 -6.446 9.331 3.806 1.00 0.00 C ATOM 1378 O LYS A 89 -6.279 9.894 4.877 1.00 0.00 O ATOM 1379 CB LYS A 89 -8.469 7.919 4.082 1.00 0.00 C ATOM 1380 CG LYS A 89 -9.295 8.874 3.222 1.00 0.00 C ATOM 1381 CD LYS A 89 -10.786 8.852 3.530 1.00 0.00 C ATOM 1382 CE LYS A 89 -11.431 7.540 3.141 1.00 0.00 C ATOM 1383 NZ LYS A 89 -12.896 7.570 3.333 1.00 0.00 N ATOM 0 H LYS A 89 -6.035 7.470 5.547 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.880 7.566 2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.843 6.904 3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.605 8.175 5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.921 9.888 3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.147 8.621 2.172 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.938 9.028 4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.277 9.668 2.999 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.206 7.320 2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.003 6.734 3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.301 6.653 3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.111 7.755 4.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.308 8.323 2.745 1.00 0.00 H new ATOM 1397 N GLU A 90 -6.136 9.847 2.631 1.00 0.00 N ATOM 1398 CA GLU A 90 -5.528 11.159 2.417 1.00 0.00 C ATOM 1399 C GLU A 90 -4.077 11.154 2.898 1.00 0.00 C ATOM 1400 O GLU A 90 -3.422 12.177 2.927 1.00 0.00 O ATOM 1401 CB GLU A 90 -6.266 12.294 3.125 1.00 0.00 C ATOM 1402 CG GLU A 90 -7.720 12.478 2.789 1.00 0.00 C ATOM 1403 CD GLU A 90 -8.333 13.578 3.623 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -8.629 13.336 4.818 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -8.539 14.694 3.110 1.00 0.00 O ATOM 0 H GLU A 90 -6.306 9.346 1.759 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.586 11.342 1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.185 12.132 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.747 13.226 2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.825 12.718 1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.257 11.545 2.959 1.00 0.00 H new ATOM 1412 N GLY A 91 -3.588 10.001 3.240 1.00 0.00 N ATOM 1413 CA GLY A 91 -2.281 9.903 3.839 1.00 0.00 C ATOM 1414 C GLY A 91 -2.363 9.939 5.365 1.00 0.00 C ATOM 1415 O GLY A 91 -1.348 10.064 6.045 1.00 0.00 O ATOM 0 H GLY A 91 -4.071 9.111 3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.802 8.977 3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.655 10.723 3.487 1.00 0.00 H new ATOM 1419 N LYS A 92 -3.583 9.839 5.891 1.00 0.00 N ATOM 1420 CA LYS A 92 -3.822 9.769 7.334 1.00 0.00 C ATOM 1421 C LYS A 92 -4.141 8.317 7.659 1.00 0.00 C ATOM 1422 O LYS A 92 -5.012 7.727 7.012 1.00 0.00 O ATOM 1423 CB LYS A 92 -5.036 10.637 7.683 1.00 0.00 C ATOM 1424 CG LYS A 92 -4.917 12.071 7.212 1.00 0.00 C ATOM 1425 CD LYS A 92 -6.225 12.815 7.370 1.00 0.00 C ATOM 1426 CE LYS A 92 -6.133 14.218 6.805 1.00 0.00 C ATOM 1427 NZ LYS A 92 -7.450 14.896 6.804 1.00 0.00 N ATOM 0 H LYS A 92 -4.434 9.804 5.330 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.956 10.120 7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.928 10.192 7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.178 10.630 8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.137 12.578 7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.611 12.088 6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.020 12.268 6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.493 12.863 8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.424 14.801 7.393 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.745 14.176 5.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -7.321 15.905 6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -8.062 14.464 6.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.893 14.795 7.740 1.00 0.00 H new ATOM 1441 N ILE A 93 -3.487 7.766 8.655 1.00 0.00 N ATOM 1442 CA ILE A 93 -3.584 6.336 8.974 1.00 0.00 C ATOM 1443 C ILE A 93 -4.980 5.945 9.464 1.00 0.00 C ATOM 1444 O ILE A 93 -5.552 6.592 10.343 1.00 0.00 O ATOM 1445 CB ILE A 93 -2.520 5.920 10.037 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -1.108 6.282 9.546 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -2.612 4.418 10.339 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -0.010 5.971 10.548 1.00 0.00 C ATOM 0 H ILE A 93 -2.868 8.287 9.276 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.389 5.801 8.045 1.00 0.00 H new ATOM 0 HB ILE A 93 -2.722 6.466 10.958 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.906 5.742 8.621 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.078 7.345 9.307 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.861 4.150 11.082 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.604 4.185 10.725 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.436 3.852 9.425 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.956 6.254 10.129 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.186 6.532 11.466 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.011 4.904 10.769 1.00 0.00 H new ATOM 1460 N LEU A 94 -5.526 4.895 8.875 1.00 0.00 N ATOM 1461 CA LEU A 94 -6.799 4.381 9.271 1.00 0.00 C ATOM 1462 C LEU A 94 -6.653 3.011 9.909 1.00 0.00 C ATOM 1463 O LEU A 94 -6.877 2.849 11.104 1.00 0.00 O ATOM 1464 CB LEU A 94 -7.746 4.310 8.077 1.00 0.00 C ATOM 1465 CG LEU A 94 -8.151 5.638 7.439 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -9.143 5.403 6.326 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -8.726 6.595 8.476 1.00 0.00 C ATOM 0 H LEU A 94 -5.088 4.383 8.109 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.222 5.062 10.010 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.279 3.693 7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.653 3.794 8.393 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.257 6.099 7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.423 6.358 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.692 4.766 5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.032 4.916 6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.005 7.531 7.992 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.607 6.147 8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.978 6.792 9.244 1.00 0.00 H new ATOM 1479 N ASP A 95 -6.263 2.040 9.121 1.00 0.00 N ATOM 1480 CA ASP A 95 -6.123 0.674 9.569 1.00 0.00 C ATOM 1481 C ASP A 95 -5.106 -0.059 8.746 1.00 0.00 C ATOM 1482 O ASP A 95 -4.805 0.337 7.640 1.00 0.00 O ATOM 1483 CB ASP A 95 -7.459 -0.072 9.594 1.00 0.00 C ATOM 1484 CG ASP A 95 -8.281 0.033 8.325 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -9.111 0.970 8.213 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -8.157 -0.805 7.449 1.00 0.00 O ATOM 0 H ASP A 95 -6.030 2.176 8.137 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.767 0.711 10.598 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.265 -1.125 9.796 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.053 0.308 10.425 1.00 0.00 H new ATOM 1491 N LYS A 96 -4.554 -1.098 9.288 1.00 0.00 N ATOM 1492 CA LYS A 96 -3.504 -1.817 8.606 1.00 0.00 C ATOM 1493 C LYS A 96 -3.527 -3.312 8.882 1.00 0.00 C ATOM 1494 O LYS A 96 -4.103 -3.768 9.865 1.00 0.00 O ATOM 1495 CB LYS A 96 -2.103 -1.163 8.866 1.00 0.00 C ATOM 1496 CG LYS A 96 -1.687 -0.965 10.334 1.00 0.00 C ATOM 1497 CD LYS A 96 -1.406 -2.269 11.063 1.00 0.00 C ATOM 1498 CE LYS A 96 -1.037 -2.021 12.517 1.00 0.00 C ATOM 1499 NZ LYS A 96 0.170 -1.173 12.669 1.00 0.00 N ATOM 0 H LYS A 96 -4.807 -1.474 10.202 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.701 -1.728 7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.346 -1.778 8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.087 -0.190 8.375 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.796 -0.338 10.370 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.477 -0.427 10.858 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.284 -2.912 11.013 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.594 -2.799 10.565 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.876 -1.544 13.023 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.868 -2.977 13.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.483 -1.189 13.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.930 -1.538 12.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.055 -0.196 12.393 1.00 0.00 H new ATOM 1513 N VAL A 97 -2.934 -4.060 7.994 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.819 -5.491 8.134 1.00 0.00 C ATOM 1515 C VAL A 97 -1.357 -5.820 8.274 1.00 0.00 C ATOM 1516 O VAL A 97 -0.561 -5.488 7.393 1.00 0.00 O ATOM 1517 CB VAL A 97 -3.353 -6.243 6.878 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -3.302 -7.757 7.074 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -4.753 -5.799 6.528 1.00 0.00 C ATOM 0 H VAL A 97 -2.511 -3.692 7.142 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.405 -5.802 8.999 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.699 -5.988 6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.681 -8.253 6.180 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.272 -8.066 7.251 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.916 -8.034 7.931 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.097 -6.342 5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.420 -6.005 7.365 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.754 -4.729 6.318 1.00 0.00 H new ATOM 1529 N VAL A 98 -0.995 -6.424 9.361 1.00 0.00 N ATOM 1530 CA VAL A 98 0.364 -6.809 9.568 1.00 0.00 C ATOM 1531 C VAL A 98 0.514 -8.319 9.358 1.00 0.00 C ATOM 1532 O VAL A 98 -0.073 -9.129 10.081 1.00 0.00 O ATOM 1533 CB VAL A 98 0.888 -6.345 10.971 1.00 0.00 C ATOM 1534 CG1 VAL A 98 0.055 -6.905 12.126 1.00 0.00 C ATOM 1535 CG2 VAL A 98 2.366 -6.668 11.146 1.00 0.00 C ATOM 0 H VAL A 98 -1.628 -6.663 10.125 1.00 0.00 H new ATOM 0 HA VAL A 98 0.989 -6.304 8.831 1.00 0.00 H new ATOM 0 HB VAL A 98 0.774 -5.261 11.002 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.463 -6.552 13.073 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.977 -6.568 12.027 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.085 -7.994 12.102 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.698 -6.333 12.129 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.516 -7.744 11.059 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.944 -6.158 10.375 1.00 0.00 H new ATOM 1545 N GLY A 99 1.260 -8.683 8.351 1.00 0.00 N ATOM 1546 CA GLY A 99 1.456 -10.069 8.030 1.00 0.00 C ATOM 1547 C GLY A 99 0.580 -10.467 6.870 1.00 0.00 C ATOM 1548 O GLY A 99 -0.393 -9.774 6.554 1.00 0.00 O ATOM 0 H GLY A 99 1.746 -8.032 7.734 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.502 -10.247 7.782 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.224 -10.686 8.898 1.00 0.00 H new ATOM 1552 N ALA A 100 0.893 -11.565 6.233 1.00 0.00 N ATOM 1553 CA ALA A 100 0.122 -11.999 5.101 1.00 0.00 C ATOM 1554 C ALA A 100 -0.981 -12.920 5.545 1.00 0.00 C ATOM 1555 O ALA A 100 -0.738 -14.046 5.992 1.00 0.00 O ATOM 1556 CB ALA A 100 1.010 -12.696 4.075 1.00 0.00 C ATOM 0 H ALA A 100 1.674 -12.173 6.479 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.319 -11.120 4.631 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.404 -13.016 3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.780 -12.005 3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.481 -13.566 4.533 1.00 0.00 H new ATOM 1562 N LYS A 101 -2.179 -12.430 5.461 1.00 0.00 N ATOM 1563 CA LYS A 101 -3.345 -13.188 5.728 1.00 0.00 C ATOM 1564 C LYS A 101 -4.204 -13.095 4.522 1.00 0.00 C ATOM 1565 O LYS A 101 -4.531 -11.997 4.098 1.00 0.00 O ATOM 1566 CB LYS A 101 -4.126 -12.642 6.911 1.00 0.00 C ATOM 1567 CG LYS A 101 -3.454 -12.702 8.272 1.00 0.00 C ATOM 1568 CD LYS A 101 -2.368 -11.716 8.427 1.00 0.00 C ATOM 1569 CE LYS A 101 -1.773 -11.745 9.815 1.00 0.00 C ATOM 1570 NZ LYS A 101 -2.791 -11.462 10.846 1.00 0.00 N ATOM 0 H LYS A 101 -2.370 -11.463 5.197 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.057 -14.212 5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.373 -11.601 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.068 -13.187 6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.202 -12.534 9.047 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.052 -13.703 8.428 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.587 -11.918 7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.752 -10.718 8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.328 -12.722 10.001 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.970 -11.011 9.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.329 -11.076 11.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.474 -10.769 10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.289 -12.341 11.093 1.00 0.00 H new ATOM 1584 N LYS A 102 -4.561 -14.202 3.961 1.00 0.00 N ATOM 1585 CA LYS A 102 -5.346 -14.210 2.776 1.00 0.00 C ATOM 1586 C LYS A 102 -6.774 -13.718 3.079 1.00 0.00 C ATOM 1587 O LYS A 102 -7.284 -12.811 2.417 1.00 0.00 O ATOM 1588 CB LYS A 102 -5.344 -15.615 2.193 1.00 0.00 C ATOM 1589 CG LYS A 102 -6.035 -15.739 0.863 1.00 0.00 C ATOM 1590 CD LYS A 102 -5.897 -17.149 0.314 1.00 0.00 C ATOM 1591 CE LYS A 102 -6.566 -17.296 -1.041 1.00 0.00 C ATOM 1592 NZ LYS A 102 -8.020 -17.075 -0.975 1.00 0.00 N ATOM 0 H LYS A 102 -4.315 -15.127 4.313 1.00 0.00 H new ATOM 0 HA LYS A 102 -4.921 -13.528 2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.312 -15.948 2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.824 -16.290 2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.090 -15.487 0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.608 -15.026 0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.841 -17.403 0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.338 -17.857 1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.125 -16.586 -1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.370 -18.294 -1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -8.454 -17.350 -1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -8.424 -17.650 -0.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.210 -16.069 -0.791 1.00 0.00 H new ATOM 1606 N ASP A 103 -7.378 -14.295 4.109 1.00 0.00 N ATOM 1607 CA ASP A 103 -8.752 -13.962 4.509 1.00 0.00 C ATOM 1608 C ASP A 103 -8.847 -12.589 5.178 1.00 0.00 C ATOM 1609 O ASP A 103 -9.684 -11.762 4.807 1.00 0.00 O ATOM 1610 CB ASP A 103 -9.313 -15.040 5.442 1.00 0.00 C ATOM 1611 CG ASP A 103 -10.715 -14.731 5.919 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -11.681 -15.049 5.194 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -10.871 -14.167 7.032 1.00 0.00 O ATOM 0 H ASP A 103 -6.937 -15.005 4.693 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.349 -13.923 3.598 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.314 -15.999 4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.655 -15.145 6.305 1.00 0.00 H new ATOM 1618 N GLU A 104 -7.968 -12.347 6.146 1.00 0.00 N ATOM 1619 CA GLU A 104 -7.964 -11.092 6.915 1.00 0.00 C ATOM 1620 C GLU A 104 -7.689 -9.878 6.024 1.00 0.00 C ATOM 1621 O GLU A 104 -8.173 -8.758 6.298 1.00 0.00 O ATOM 1622 CB GLU A 104 -6.968 -11.185 8.077 1.00 0.00 C ATOM 1623 CG GLU A 104 -6.859 -9.957 8.965 1.00 0.00 C ATOM 1624 CD GLU A 104 -5.908 -10.187 10.116 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -6.325 -10.790 11.128 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -4.726 -9.787 10.033 1.00 0.00 O ATOM 0 H GLU A 104 -7.240 -13.006 6.423 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.960 -10.947 7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.246 -12.035 8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.981 -11.400 7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.516 -9.108 8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.845 -9.698 9.352 1.00 0.00 H new ATOM 1633 N LEU A 105 -6.935 -10.088 4.954 1.00 0.00 N ATOM 1634 CA LEU A 105 -6.675 -9.023 4.014 1.00 0.00 C ATOM 1635 C LEU A 105 -7.970 -8.638 3.363 1.00 0.00 C ATOM 1636 O LEU A 105 -8.334 -7.473 3.336 1.00 0.00 O ATOM 1637 CB LEU A 105 -5.697 -9.462 2.953 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.255 -8.379 1.963 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -4.599 -7.208 2.687 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -4.307 -8.959 0.936 1.00 0.00 C ATOM 0 H LEU A 105 -6.499 -10.980 4.722 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.242 -8.177 4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.810 -9.861 3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.144 -10.281 2.390 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.143 -8.007 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.295 -6.455 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.309 -6.770 3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.723 -7.561 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.002 -8.178 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.427 -9.361 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.808 -9.757 0.388 1.00 0.00 H new ATOM 1652 N GLN A 106 -8.673 -9.644 2.869 1.00 0.00 N ATOM 1653 CA GLN A 106 -9.989 -9.460 2.230 1.00 0.00 C ATOM 1654 C GLN A 106 -10.939 -8.711 3.147 1.00 0.00 C ATOM 1655 O GLN A 106 -11.681 -7.849 2.702 1.00 0.00 O ATOM 1656 CB GLN A 106 -10.631 -10.799 1.850 1.00 0.00 C ATOM 1657 CG GLN A 106 -9.870 -11.631 0.841 1.00 0.00 C ATOM 1658 CD GLN A 106 -9.682 -10.936 -0.489 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -10.496 -10.102 -0.904 1.00 0.00 O ATOM 1660 NE2 GLN A 106 -8.646 -11.303 -1.185 1.00 0.00 N ATOM 0 H GLN A 106 -8.358 -10.614 2.894 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.814 -8.880 1.324 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.759 -11.390 2.757 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.627 -10.603 1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.893 -11.884 1.252 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.401 -12.570 0.681 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.997 -11.994 -0.808 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.483 -10.900 -2.108 1.00 0.00 H new ATOM 1669 N SER A 107 -10.896 -9.032 4.424 1.00 0.00 N ATOM 1670 CA SER A 107 -11.759 -8.392 5.405 1.00 0.00 C ATOM 1671 C SER A 107 -11.440 -6.903 5.519 1.00 0.00 C ATOM 1672 O SER A 107 -12.344 -6.065 5.637 1.00 0.00 O ATOM 1673 CB SER A 107 -11.594 -9.079 6.751 1.00 0.00 C ATOM 1674 OG SER A 107 -11.840 -10.467 6.619 1.00 0.00 O ATOM 0 H SER A 107 -10.269 -9.737 4.812 1.00 0.00 H new ATOM 0 HA SER A 107 -12.795 -8.487 5.080 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.586 -8.914 7.131 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.283 -8.646 7.476 1.00 0.00 H new ATOM 0 HG SER A 107 -11.082 -10.892 6.166 1.00 0.00 H new ATOM 1680 N THR A 108 -10.170 -6.584 5.449 1.00 0.00 N ATOM 1681 CA THR A 108 -9.723 -5.226 5.539 1.00 0.00 C ATOM 1682 C THR A 108 -10.034 -4.489 4.220 1.00 0.00 C ATOM 1683 O THR A 108 -10.325 -3.281 4.206 1.00 0.00 O ATOM 1684 CB THR A 108 -8.216 -5.186 5.837 1.00 0.00 C ATOM 1685 OG1 THR A 108 -7.950 -6.007 7.007 1.00 0.00 O ATOM 1686 CG2 THR A 108 -7.772 -3.761 6.134 1.00 0.00 C ATOM 0 H THR A 108 -9.420 -7.265 5.328 1.00 0.00 H new ATOM 0 HA THR A 108 -10.248 -4.726 6.353 1.00 0.00 H new ATOM 0 HB THR A 108 -7.671 -5.558 4.969 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.012 -6.954 6.763 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.702 -3.749 6.343 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.980 -3.128 5.272 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.315 -3.384 7.000 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.002 -5.223 3.122 1.00 0.00 N ATOM 1695 CA ILE A 109 -10.338 -4.661 1.844 1.00 0.00 C ATOM 1696 C ILE A 109 -11.838 -4.386 1.782 1.00 0.00 C ATOM 1697 O ILE A 109 -12.249 -3.332 1.339 1.00 0.00 O ATOM 1698 CB ILE A 109 -9.909 -5.576 0.674 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -8.397 -5.812 0.725 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -10.295 -4.941 -0.658 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -7.890 -6.764 -0.326 1.00 0.00 C ATOM 0 H ILE A 109 -9.745 -6.210 3.099 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.789 -3.726 1.736 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.421 -6.534 0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -7.886 -4.856 0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.133 -6.199 1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.988 -5.594 -1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.375 -4.798 -0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.798 -3.976 -0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.811 -6.878 -0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.371 -7.734 -0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.121 -6.370 -1.316 1.00 0.00 H new ATOM 1713 N ALA A 110 -12.644 -5.332 2.279 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.104 -5.189 2.315 1.00 0.00 C ATOM 1715 C ALA A 110 -14.507 -4.016 3.191 1.00 0.00 C ATOM 1716 O ALA A 110 -15.524 -3.355 2.948 1.00 0.00 O ATOM 1717 CB ALA A 110 -14.762 -6.473 2.794 1.00 0.00 C ATOM 0 H ALA A 110 -12.305 -6.213 2.665 1.00 0.00 H new ATOM 0 HA ALA A 110 -14.451 -4.991 1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -15.844 -6.342 2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -14.506 -7.288 2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.408 -6.711 3.797 1.00 0.00 H new ATOM 1723 N LYS A 111 -13.700 -3.766 4.197 1.00 0.00 N ATOM 1724 CA LYS A 111 -13.880 -2.667 5.122 1.00 0.00 C ATOM 1725 C LYS A 111 -13.863 -1.339 4.371 1.00 0.00 C ATOM 1726 O LYS A 111 -14.655 -0.436 4.637 1.00 0.00 O ATOM 1727 CB LYS A 111 -12.741 -2.701 6.095 1.00 0.00 C ATOM 1728 CG LYS A 111 -12.841 -1.740 7.255 1.00 0.00 C ATOM 1729 CD LYS A 111 -11.652 -1.889 8.188 1.00 0.00 C ATOM 1730 CE LYS A 111 -11.732 -0.914 9.349 1.00 0.00 C ATOM 1731 NZ LYS A 111 -11.675 0.496 8.893 1.00 0.00 N ATOM 0 H LYS A 111 -12.879 -4.335 4.401 1.00 0.00 H new ATOM 0 HA LYS A 111 -14.836 -2.762 5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -12.656 -3.713 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -11.818 -2.493 5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -12.889 -0.717 6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -13.764 -1.922 7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.613 -2.909 8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.729 -1.721 7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.658 -1.080 9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -10.912 -1.105 10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.613 1.126 9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.839 0.632 8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -12.533 0.720 8.350 1.00 0.00 H new ATOM 1745 N HIS A 112 -12.952 -1.238 3.433 1.00 0.00 N ATOM 1746 CA HIS A 112 -12.795 -0.054 2.627 1.00 0.00 C ATOM 1747 C HIS A 112 -13.457 -0.194 1.252 1.00 0.00 C ATOM 1748 O HIS A 112 -13.338 0.695 0.418 1.00 0.00 O ATOM 1749 CB HIS A 112 -11.318 0.254 2.428 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.576 0.670 3.656 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -10.446 1.984 4.048 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -9.889 -0.058 4.566 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -9.709 2.039 5.138 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -9.365 0.814 5.469 1.00 0.00 N ATOM 0 H HIS A 112 -12.293 -1.983 3.207 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.286 0.758 3.163 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -10.833 -0.630 2.014 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.227 1.046 1.684 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -10.855 2.787 3.570 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -9.777 -1.132 4.574 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -9.434 2.938 5.670 1.00 0.00 H new ATOM 1763 N LEU A 113 -14.133 -1.296 1.009 1.00 0.00 N ATOM 1764 CA LEU A 113 -14.741 -1.536 -0.249 1.00 0.00 C ATOM 1765 C LEU A 113 -16.013 -0.713 -0.394 1.00 0.00 C ATOM 1766 O LEU A 113 -16.908 -0.767 0.456 1.00 0.00 O ATOM 1767 CB LEU A 113 -14.992 -3.027 -0.342 1.00 0.00 C ATOM 1768 CG LEU A 113 -15.465 -3.642 -1.652 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -16.910 -3.294 -1.997 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -14.527 -3.290 -2.795 1.00 0.00 C ATOM 0 H LEU A 113 -14.268 -2.043 1.691 1.00 0.00 H new ATOM 0 HA LEU A 113 -14.096 -1.227 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -14.065 -3.529 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -15.731 -3.279 0.419 1.00 0.00 H new ATOM 0 HG LEU A 113 -15.441 -4.722 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -17.182 -3.764 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -17.570 -3.656 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -17.012 -2.213 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -14.891 -3.743 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -14.488 -2.207 -2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -13.528 -3.667 -2.575 1.00 0.00 H new