USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 743 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 Single : A 11 TYR OH : rot 165:sc= -0.234 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -1.41 F(o=-2.9!,f=-1.4) USER MOD Single : A 23 SER OG : rot -70:sc= 0.0974 USER MOD Single : A 25 GLN : amide:sc= -0.115 K(o=-0.11,f=-2.2!) USER MOD Single : A 29 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.19) USER MOD Single : A 30 LYS NZ :NH3+ -179:sc= 0.285 (180deg=0.281) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 165:sc= -1.46 (180deg=-2.19) USER MOD Single : A 40 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.4!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 168:sc= 0 (180deg=-0.0625) USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 48 THR OG1 : rot -27:sc= 0.589 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0154 USER MOD Single : A 54 LYS NZ :NH3+ 130:sc= -0.454 (180deg=-1.38) USER MOD Single : A 62 THR OG1 : rot 180:sc=-7.18e-06 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -0.0273 F(o=-0.61,f=-0.027) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.0324 X(o=-0.032,f=-0.51) USER MOD Single : A 69 HIS : no HD1:sc=-0.00286 X(o=-0.0029,f=-0.11) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0.132 K(o=0.13,f=-5!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0.77 K(o=0.77,f=-4.8!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 19:sc= 0.00483 USER MOD Single : A 86 SER OG : rot 73:sc= 0.208 USER MOD Single : A 89 LYS NZ :NH3+ -133:sc= -1.72! (180deg=-4.3!) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.0274 X(o=-0.027,f=0) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.324 F(o=-1.1,f=-0.32) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.2) USER MOD Single : A 98 SER OG : rot 27:sc= 0.158 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.00722 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.291 F(o=-1,f=-0.29) USER MOD Single : A 110 SER OG : rot -40:sc= 0.0151 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 1.364 -11.613 -7.665 1.00 0.00 N ATOM 67 CA LEU A 8 1.466 -10.237 -7.191 1.00 0.00 C ATOM 68 C LEU A 8 2.532 -9.471 -7.968 1.00 0.00 C ATOM 69 O LEU A 8 2.372 -8.285 -8.256 1.00 0.00 O ATOM 70 CB LEU A 8 1.795 -10.216 -5.697 1.00 0.00 C ATOM 71 CG LEU A 8 0.624 -10.473 -4.749 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.121 -10.650 -3.323 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.385 -9.336 -4.827 1.00 0.00 C ATOM 0 HA LEU A 8 0.504 -9.750 -7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.564 -10.964 -5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.227 -9.245 -5.454 1.00 0.00 H new ATOM 0 HG LEU A 8 0.128 -11.394 -5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.273 -10.832 -2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.804 -11.498 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.642 -9.747 -3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.212 -9.536 -4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.099 -8.400 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.765 -9.256 -5.845 1.00 0.00 H new ATOM 85 N ASP A 9 3.617 -10.158 -8.308 1.00 0.00 N ATOM 86 CA ASP A 9 4.708 -9.543 -9.056 1.00 0.00 C ATOM 87 C ASP A 9 4.181 -8.821 -10.292 1.00 0.00 C ATOM 88 O ASP A 9 4.535 -7.671 -10.549 1.00 0.00 O ATOM 89 CB ASP A 9 5.734 -10.600 -9.466 1.00 0.00 C ATOM 90 CG ASP A 9 5.179 -11.581 -10.481 1.00 0.00 C ATOM 91 OD1 ASP A 9 5.249 -11.284 -11.691 1.00 0.00 O ATOM 92 OD2 ASP A 9 4.675 -12.645 -10.064 1.00 0.00 O ATOM 0 H ASP A 9 3.765 -11.141 -8.078 1.00 0.00 H new ATOM 0 HA ASP A 9 5.191 -8.811 -8.409 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.612 -10.107 -9.883 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.064 -11.144 -8.581 1.00 0.00 H new ATOM 97 N ASP A 10 3.334 -9.505 -11.053 1.00 0.00 N ATOM 98 CA ASP A 10 2.757 -8.930 -12.263 1.00 0.00 C ATOM 99 C ASP A 10 2.498 -7.437 -12.084 1.00 0.00 C ATOM 100 O ASP A 10 2.864 -6.627 -12.936 1.00 0.00 O ATOM 101 CB ASP A 10 1.455 -9.647 -12.623 1.00 0.00 C ATOM 102 CG ASP A 10 0.838 -9.117 -13.903 1.00 0.00 C ATOM 103 OD1 ASP A 10 1.585 -8.912 -14.882 1.00 0.00 O ATOM 104 OD2 ASP A 10 -0.393 -8.907 -13.925 1.00 0.00 O ATOM 0 H ASP A 10 3.031 -10.458 -10.854 1.00 0.00 H new ATOM 0 HA ASP A 10 3.471 -9.062 -13.076 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.649 -10.714 -12.731 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.743 -9.534 -11.806 1.00 0.00 H new ATOM 109 N TYR A 11 1.864 -7.081 -10.972 1.00 0.00 N ATOM 110 CA TYR A 11 1.553 -5.686 -10.684 1.00 0.00 C ATOM 111 C TYR A 11 2.827 -4.854 -10.580 1.00 0.00 C ATOM 112 O TYR A 11 3.929 -5.357 -10.792 1.00 0.00 O ATOM 113 CB TYR A 11 0.753 -5.579 -9.384 1.00 0.00 C ATOM 114 CG TYR A 11 -0.589 -6.275 -9.439 1.00 0.00 C ATOM 115 CD1 TYR A 11 -1.608 -5.798 -10.254 1.00 0.00 C ATOM 116 CD2 TYR A 11 -0.836 -7.409 -8.676 1.00 0.00 C ATOM 117 CE1 TYR A 11 -2.835 -6.430 -10.307 1.00 0.00 C ATOM 118 CE2 TYR A 11 -2.060 -8.049 -8.724 1.00 0.00 C ATOM 119 CZ TYR A 11 -3.055 -7.555 -9.541 1.00 0.00 C ATOM 120 OH TYR A 11 -4.277 -8.189 -9.592 1.00 0.00 O ATOM 0 H TYR A 11 1.556 -7.739 -10.256 1.00 0.00 H new ATOM 0 HA TYR A 11 0.953 -5.296 -11.506 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.340 -6.004 -8.570 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.597 -4.526 -9.149 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.438 -4.918 -10.856 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.059 -7.797 -8.035 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.617 -6.045 -10.945 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.236 -8.931 -8.125 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.200 -9.081 -9.194 1.00 0.00 H new ATOM 130 N ASP A 12 2.665 -3.576 -10.253 1.00 0.00 N ATOM 131 CA ASP A 12 3.802 -2.672 -10.119 1.00 0.00 C ATOM 132 C ASP A 12 3.975 -2.228 -8.670 1.00 0.00 C ATOM 133 O ASP A 12 5.052 -2.372 -8.091 1.00 0.00 O ATOM 134 CB ASP A 12 3.618 -1.451 -11.022 1.00 0.00 C ATOM 135 CG ASP A 12 4.151 -1.679 -12.421 1.00 0.00 C ATOM 136 OD1 ASP A 12 5.388 -1.714 -12.588 1.00 0.00 O ATOM 137 OD2 ASP A 12 3.330 -1.826 -13.351 1.00 0.00 O ATOM 0 H ASP A 12 1.758 -3.143 -10.076 1.00 0.00 H new ATOM 0 HA ASP A 12 4.700 -3.208 -10.425 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.559 -1.200 -11.077 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.126 -0.595 -10.578 1.00 0.00 H new ATOM 142 N TRP A 13 2.909 -1.687 -8.091 1.00 0.00 N ATOM 143 CA TRP A 13 2.944 -1.221 -6.709 1.00 0.00 C ATOM 144 C TRP A 13 3.646 -2.233 -5.811 1.00 0.00 C ATOM 145 O TRP A 13 4.406 -1.862 -4.916 1.00 0.00 O ATOM 146 CB TRP A 13 1.525 -0.965 -6.200 1.00 0.00 C ATOM 147 CG TRP A 13 0.507 -1.896 -6.785 1.00 0.00 C ATOM 148 CD1 TRP A 13 -0.283 -1.666 -7.875 1.00 0.00 C ATOM 149 CD2 TRP A 13 0.168 -3.203 -6.310 1.00 0.00 C ATOM 150 NE1 TRP A 13 -1.092 -2.752 -8.106 1.00 0.00 N ATOM 151 CE2 TRP A 13 -0.834 -3.709 -7.161 1.00 0.00 C ATOM 152 CE3 TRP A 13 0.615 -3.997 -5.251 1.00 0.00 C ATOM 153 CZ2 TRP A 13 -1.396 -4.969 -6.982 1.00 0.00 C ATOM 154 CZ3 TRP A 13 0.057 -5.249 -5.074 1.00 0.00 C ATOM 155 CH2 TRP A 13 -0.939 -5.726 -5.937 1.00 0.00 C ATOM 0 H TRP A 13 2.010 -1.560 -8.556 1.00 0.00 H new ATOM 0 HA TRP A 13 3.506 -0.288 -6.680 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.513 -1.061 -5.114 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.243 0.062 -6.432 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.273 -0.763 -8.468 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.775 -2.833 -8.860 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.383 -3.639 -4.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.166 -5.337 -7.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.394 -5.870 -4.257 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.354 -6.710 -5.774 1.00 0.00 H new ATOM 166 N PHE A 14 3.386 -3.514 -6.053 1.00 0.00 N ATOM 167 CA PHE A 14 3.992 -4.581 -5.265 1.00 0.00 C ATOM 168 C PHE A 14 5.514 -4.543 -5.379 1.00 0.00 C ATOM 169 O PHE A 14 6.079 -4.905 -6.410 1.00 0.00 O ATOM 170 CB PHE A 14 3.468 -5.943 -5.723 1.00 0.00 C ATOM 171 CG PHE A 14 4.062 -7.098 -4.969 1.00 0.00 C ATOM 172 CD1 PHE A 14 3.669 -7.368 -3.668 1.00 0.00 C ATOM 173 CD2 PHE A 14 5.013 -7.914 -5.560 1.00 0.00 C ATOM 174 CE1 PHE A 14 4.213 -8.430 -2.970 1.00 0.00 C ATOM 175 CE2 PHE A 14 5.560 -8.978 -4.868 1.00 0.00 C ATOM 176 CZ PHE A 14 5.160 -9.236 -3.571 1.00 0.00 C ATOM 0 H PHE A 14 2.759 -3.838 -6.789 1.00 0.00 H new ATOM 0 HA PHE A 14 3.719 -4.428 -4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.384 -5.964 -5.609 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.679 -6.066 -6.785 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.929 -6.741 -3.193 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.331 -7.716 -6.573 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.898 -8.629 -1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.300 -9.607 -5.341 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.587 -10.066 -3.028 1.00 0.00 H new ATOM 186 N ALA A 15 6.170 -4.102 -4.311 1.00 0.00 N ATOM 187 CA ALA A 15 7.625 -4.019 -4.288 1.00 0.00 C ATOM 188 C ALA A 15 8.245 -5.350 -3.876 1.00 0.00 C ATOM 189 O ALA A 15 9.223 -5.801 -4.471 1.00 0.00 O ATOM 190 CB ALA A 15 8.076 -2.910 -3.349 1.00 0.00 C ATOM 0 H ALA A 15 5.717 -3.797 -3.450 1.00 0.00 H new ATOM 0 HA ALA A 15 7.967 -3.787 -5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.165 -2.860 -3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.671 -1.957 -3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.716 -3.118 -2.341 1.00 0.00 H new ATOM 196 N GLY A 16 7.669 -5.974 -2.853 1.00 0.00 N ATOM 197 CA GLY A 16 8.180 -7.247 -2.379 1.00 0.00 C ATOM 198 C GLY A 16 8.827 -7.139 -1.012 1.00 0.00 C ATOM 199 O GLY A 16 8.370 -6.378 -0.159 1.00 0.00 O ATOM 0 H GLY A 16 6.858 -5.621 -2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.365 -7.969 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.908 -7.631 -3.093 1.00 0.00 H new ATOM 203 N ASN A 17 9.894 -7.903 -0.802 1.00 0.00 N ATOM 204 CA ASN A 17 10.604 -7.892 0.472 1.00 0.00 C ATOM 205 C ASN A 17 11.479 -6.648 0.596 1.00 0.00 C ATOM 206 O ASN A 17 12.533 -6.553 -0.032 1.00 0.00 O ATOM 207 CB ASN A 17 11.464 -9.149 0.611 1.00 0.00 C ATOM 208 CG ASN A 17 11.690 -9.537 2.060 1.00 0.00 C ATOM 209 OD1 ASN A 17 12.122 -8.720 2.873 1.00 0.00 O ATOM 210 ND2 ASN A 17 11.397 -10.790 2.389 1.00 0.00 N ATOM 0 H ASN A 17 10.286 -8.538 -1.498 1.00 0.00 H new ATOM 0 HA ASN A 17 9.864 -7.876 1.272 1.00 0.00 H new ATOM 0 HB2 ASN A 17 10.983 -9.975 0.087 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.427 -8.983 0.128 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.528 -11.109 3.349 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.041 -11.433 1.682 1.00 0.00 H new ATOM 217 N ILE A 18 11.033 -5.696 1.410 1.00 0.00 N ATOM 218 CA ILE A 18 11.776 -4.460 1.617 1.00 0.00 C ATOM 219 C ILE A 18 11.889 -4.129 3.102 1.00 0.00 C ATOM 220 O ILE A 18 11.057 -4.547 3.907 1.00 0.00 O ATOM 221 CB ILE A 18 11.113 -3.276 0.888 1.00 0.00 C ATOM 222 CG1 ILE A 18 9.714 -3.020 1.452 1.00 0.00 C ATOM 223 CG2 ILE A 18 11.046 -3.546 -0.608 1.00 0.00 C ATOM 224 CD1 ILE A 18 8.828 -2.216 0.527 1.00 0.00 C ATOM 0 H ILE A 18 10.161 -5.758 1.936 1.00 0.00 H new ATOM 0 HA ILE A 18 12.773 -4.618 1.205 1.00 0.00 H new ATOM 0 HB ILE A 18 11.718 -2.384 1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.235 -3.976 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.805 -2.495 2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.575 -2.701 -1.110 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.054 -3.684 -0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.461 -4.447 -0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.852 -2.073 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.286 -1.245 0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.707 -2.750 -0.416 1.00 0.00 H new ATOM 236 N SER A 19 12.923 -3.373 3.457 1.00 0.00 N ATOM 237 CA SER A 19 13.147 -2.987 4.845 1.00 0.00 C ATOM 238 C SER A 19 12.587 -1.595 5.118 1.00 0.00 C ATOM 239 O SER A 19 12.548 -0.743 4.229 1.00 0.00 O ATOM 240 CB SER A 19 14.641 -3.022 5.172 1.00 0.00 C ATOM 241 OG SER A 19 14.856 -3.305 6.544 1.00 0.00 O ATOM 0 H SER A 19 13.619 -3.016 2.802 1.00 0.00 H new ATOM 0 HA SER A 19 12.627 -3.701 5.484 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.133 -3.778 4.560 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.094 -2.063 4.920 1.00 0.00 H new ATOM 0 HG SER A 19 15.819 -3.324 6.727 1.00 0.00 H new ATOM 247 N ARG A 20 12.154 -1.369 6.355 1.00 0.00 N ATOM 248 CA ARG A 20 11.596 -0.080 6.746 1.00 0.00 C ATOM 249 C ARG A 20 12.369 1.065 6.100 1.00 0.00 C ATOM 250 O ARG A 20 11.786 2.074 5.700 1.00 0.00 O ATOM 251 CB ARG A 20 11.619 0.068 8.269 1.00 0.00 C ATOM 252 CG ARG A 20 10.679 -0.885 8.988 1.00 0.00 C ATOM 253 CD ARG A 20 10.423 -0.440 10.419 1.00 0.00 C ATOM 254 NE ARG A 20 10.099 -1.565 11.293 1.00 0.00 N ATOM 255 CZ ARG A 20 10.018 -1.470 12.615 1.00 0.00 C ATOM 256 NH1 ARG A 20 10.236 -0.308 13.214 1.00 0.00 N ATOM 257 NH2 ARG A 20 9.718 -2.539 13.341 1.00 0.00 N ATOM 0 H ARG A 20 12.179 -2.062 7.103 1.00 0.00 H new ATOM 0 HA ARG A 20 10.563 -0.038 6.400 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.635 -0.099 8.626 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.354 1.092 8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.734 -0.941 8.449 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.106 -1.888 8.988 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.305 0.074 10.802 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.603 0.278 10.434 1.00 0.00 H new ATOM 0 HE ARG A 20 9.925 -2.474 10.864 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.467 0.516 12.659 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.173 -0.238 14.230 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.549 -3.435 12.884 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.656 -2.465 14.356 1.00 0.00 H new ATOM 271 N SER A 21 13.685 0.904 6.003 1.00 0.00 N ATOM 272 CA SER A 21 14.538 1.928 5.410 1.00 0.00 C ATOM 273 C SER A 21 14.273 2.056 3.913 1.00 0.00 C ATOM 274 O SER A 21 14.092 3.158 3.396 1.00 0.00 O ATOM 275 CB SER A 21 16.012 1.594 5.651 1.00 0.00 C ATOM 276 OG SER A 21 16.824 2.748 5.514 1.00 0.00 O ATOM 0 H SER A 21 14.183 0.075 6.327 1.00 0.00 H new ATOM 0 HA SER A 21 14.305 2.881 5.885 1.00 0.00 H new ATOM 0 HB2 SER A 21 16.135 1.175 6.650 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.336 0.831 4.943 1.00 0.00 H new ATOM 0 HG SER A 21 17.761 2.510 5.674 1.00 0.00 H new ATOM 282 N GLN A 22 14.251 0.919 3.222 1.00 0.00 N ATOM 283 CA GLN A 22 14.009 0.905 1.785 1.00 0.00 C ATOM 284 C GLN A 22 12.598 1.387 1.466 1.00 0.00 C ATOM 285 O GLN A 22 12.415 2.359 0.733 1.00 0.00 O ATOM 286 CB GLN A 22 14.217 -0.504 1.226 1.00 0.00 C ATOM 287 CG GLN A 22 15.673 -0.833 0.936 1.00 0.00 C ATOM 288 CD GLN A 22 16.564 -0.660 2.150 1.00 0.00 C ATOM 289 OE1 GLN A 22 16.355 -1.492 3.162 1.00 0.00 O flip ATOM 290 NE2 GLN A 22 17.431 0.214 2.178 1.00 0.00 N flip ATOM 0 H GLN A 22 14.398 -0.002 3.635 1.00 0.00 H new ATOM 0 HA GLN A 22 14.720 1.584 1.315 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.823 -1.230 1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.639 -0.611 0.308 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.745 -1.861 0.581 1.00 0.00 H new ATOM 0 HG3 GLN A 22 16.033 -0.192 0.132 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.558 0.833 1.377 1.00 0.00 H new ATOM 0 HE22 GLN A 22 18.023 0.319 3.002 1.00 0.00 H new ATOM 299 N SER A 23 11.604 0.701 2.020 1.00 0.00 N ATOM 300 CA SER A 23 10.207 1.057 1.791 1.00 0.00 C ATOM 301 C SER A 23 10.044 2.570 1.683 1.00 0.00 C ATOM 302 O SER A 23 9.322 3.066 0.820 1.00 0.00 O ATOM 303 CB SER A 23 9.330 0.517 2.922 1.00 0.00 C ATOM 304 OG SER A 23 9.937 0.728 4.184 1.00 0.00 O ATOM 0 H SER A 23 11.739 -0.105 2.631 1.00 0.00 H new ATOM 0 HA SER A 23 9.891 0.607 0.850 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.357 1.007 2.897 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.155 -0.548 2.773 1.00 0.00 H new ATOM 0 HG SER A 23 10.717 0.142 4.274 1.00 0.00 H new ATOM 310 N GLU A 24 10.721 3.296 2.567 1.00 0.00 N ATOM 311 CA GLU A 24 10.649 4.753 2.572 1.00 0.00 C ATOM 312 C GLU A 24 11.528 5.345 1.473 1.00 0.00 C ATOM 313 O GLU A 24 11.087 6.198 0.705 1.00 0.00 O ATOM 314 CB GLU A 24 11.078 5.302 3.934 1.00 0.00 C ATOM 315 CG GLU A 24 10.047 5.087 5.029 1.00 0.00 C ATOM 316 CD GLU A 24 10.256 6.008 6.215 1.00 0.00 C ATOM 317 OE1 GLU A 24 10.828 7.102 6.025 1.00 0.00 O ATOM 318 OE2 GLU A 24 9.844 5.635 7.335 1.00 0.00 O ATOM 0 H GLU A 24 11.325 2.900 3.288 1.00 0.00 H new ATOM 0 HA GLU A 24 9.615 5.041 2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.014 4.827 4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.278 6.369 3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.049 5.248 4.620 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.091 4.051 5.366 1.00 0.00 H new ATOM 325 N GLN A 25 12.773 4.884 1.408 1.00 0.00 N ATOM 326 CA GLN A 25 13.714 5.368 0.404 1.00 0.00 C ATOM 327 C GLN A 25 13.059 5.431 -0.972 1.00 0.00 C ATOM 328 O GLN A 25 12.864 6.511 -1.529 1.00 0.00 O ATOM 329 CB GLN A 25 14.947 4.465 0.353 1.00 0.00 C ATOM 330 CG GLN A 25 16.070 5.017 -0.510 1.00 0.00 C ATOM 331 CD GLN A 25 17.441 4.566 -0.044 1.00 0.00 C ATOM 332 OE1 GLN A 25 17.568 3.872 0.965 1.00 0.00 O ATOM 333 NE2 GLN A 25 18.475 4.960 -0.777 1.00 0.00 N ATOM 0 H GLN A 25 13.153 4.177 2.037 1.00 0.00 H new ATOM 0 HA GLN A 25 14.021 6.375 0.687 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.319 4.315 1.366 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.655 3.486 -0.028 1.00 0.00 H new ATOM 0 HG2 GLN A 25 15.919 4.700 -1.542 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.028 6.106 -0.501 1.00 0.00 H new ATOM 0 HE21 GLN A 25 18.323 5.535 -1.606 1.00 0.00 H new ATOM 0 HE22 GLN A 25 19.422 4.688 -0.511 1.00 0.00 H new ATOM 342 N LEU A 26 12.721 4.266 -1.515 1.00 0.00 N ATOM 343 CA LEU A 26 12.088 4.188 -2.826 1.00 0.00 C ATOM 344 C LEU A 26 11.026 5.272 -2.983 1.00 0.00 C ATOM 345 O LEU A 26 11.153 6.163 -3.824 1.00 0.00 O ATOM 346 CB LEU A 26 11.459 2.808 -3.029 1.00 0.00 C ATOM 347 CG LEU A 26 12.407 1.615 -2.913 1.00 0.00 C ATOM 348 CD1 LEU A 26 11.660 0.385 -2.418 1.00 0.00 C ATOM 349 CD2 LEU A 26 13.076 1.332 -4.250 1.00 0.00 C ATOM 0 H LEU A 26 12.875 3.363 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 26 12.856 4.345 -3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.660 2.684 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.995 2.784 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 26 13.182 1.861 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.351 -0.454 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.229 0.591 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.863 0.136 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.747 0.479 -4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.315 1.107 -4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.646 2.207 -4.564 1.00 0.00 H new ATOM 361 N LEU A 27 9.981 5.191 -2.169 1.00 0.00 N ATOM 362 CA LEU A 27 8.898 6.167 -2.215 1.00 0.00 C ATOM 363 C LEU A 27 9.447 7.587 -2.300 1.00 0.00 C ATOM 364 O LEU A 27 9.165 8.316 -3.251 1.00 0.00 O ATOM 365 CB LEU A 27 8.004 6.027 -0.980 1.00 0.00 C ATOM 366 CG LEU A 27 7.134 4.771 -0.920 1.00 0.00 C ATOM 367 CD1 LEU A 27 6.519 4.613 0.461 1.00 0.00 C ATOM 368 CD2 LEU A 27 6.049 4.824 -1.987 1.00 0.00 C ATOM 0 H LEU A 27 9.860 4.459 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 27 8.306 5.972 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.638 6.049 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.352 6.899 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 27 7.766 3.904 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.903 3.714 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.311 4.530 1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.901 5.482 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.439 3.923 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.420 5.699 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.511 4.889 -2.972 1.00 0.00 H new ATOM 380 N ARG A 28 10.234 7.973 -1.301 1.00 0.00 N ATOM 381 CA ARG A 28 10.824 9.306 -1.264 1.00 0.00 C ATOM 382 C ARG A 28 11.387 9.689 -2.630 1.00 0.00 C ATOM 383 O ARG A 28 11.001 10.705 -3.207 1.00 0.00 O ATOM 384 CB ARG A 28 11.930 9.367 -0.210 1.00 0.00 C ATOM 385 CG ARG A 28 11.414 9.301 1.219 1.00 0.00 C ATOM 386 CD ARG A 28 12.540 9.468 2.226 1.00 0.00 C ATOM 387 NE ARG A 28 12.080 10.090 3.465 1.00 0.00 N ATOM 388 CZ ARG A 28 12.896 10.627 4.365 1.00 0.00 C ATOM 389 NH1 ARG A 28 14.206 10.618 4.167 1.00 0.00 N ATOM 390 NH2 ARG A 28 12.400 11.175 5.468 1.00 0.00 N ATOM 0 H ARG A 28 10.478 7.382 -0.506 1.00 0.00 H new ATOM 0 HA ARG A 28 10.040 10.016 -1.001 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.624 8.543 -0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.495 10.290 -0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.668 10.080 1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.916 8.345 1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.974 8.493 2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.331 10.076 1.787 1.00 0.00 H new ATOM 0 HE ARG A 28 11.077 10.113 3.649 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.591 10.198 3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.829 11.031 4.860 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.392 11.184 5.624 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.027 11.587 6.159 1.00 0.00 H new ATOM 404 N GLN A 29 12.300 8.869 -3.140 1.00 0.00 N ATOM 405 CA GLN A 29 12.916 9.125 -4.436 1.00 0.00 C ATOM 406 C GLN A 29 11.870 9.550 -5.461 1.00 0.00 C ATOM 407 O GLN A 29 12.055 10.530 -6.184 1.00 0.00 O ATOM 408 CB GLN A 29 13.652 7.877 -4.929 1.00 0.00 C ATOM 409 CG GLN A 29 15.018 7.684 -4.288 1.00 0.00 C ATOM 410 CD GLN A 29 15.943 8.861 -4.523 1.00 0.00 C ATOM 411 OE1 GLN A 29 16.172 9.269 -5.662 1.00 0.00 O ATOM 412 NE2 GLN A 29 16.483 9.414 -3.443 1.00 0.00 N ATOM 0 H GLN A 29 12.629 8.022 -2.676 1.00 0.00 H new ATOM 0 HA GLN A 29 13.632 9.938 -4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.038 6.999 -4.727 1.00 0.00 H new ATOM 0 HB3 GLN A 29 13.773 7.940 -6.010 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.894 7.532 -3.216 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.478 6.780 -4.687 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.266 9.044 -2.518 1.00 0.00 H new ATOM 0 HE22 GLN A 29 17.115 10.209 -3.539 1.00 0.00 H new ATOM 421 N LYS A 30 10.770 8.806 -5.520 1.00 0.00 N ATOM 422 CA LYS A 30 9.694 9.106 -6.457 1.00 0.00 C ATOM 423 C LYS A 30 9.247 10.559 -6.325 1.00 0.00 C ATOM 424 O LYS A 30 8.986 11.230 -7.322 1.00 0.00 O ATOM 425 CB LYS A 30 8.505 8.172 -6.215 1.00 0.00 C ATOM 426 CG LYS A 30 7.486 8.180 -7.342 1.00 0.00 C ATOM 427 CD LYS A 30 8.009 7.456 -8.571 1.00 0.00 C ATOM 428 CE LYS A 30 7.726 5.963 -8.501 1.00 0.00 C ATOM 429 NZ LYS A 30 6.287 5.661 -8.739 1.00 0.00 N ATOM 0 H LYS A 30 10.601 7.991 -4.930 1.00 0.00 H new ATOM 0 HA LYS A 30 10.072 8.951 -7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.874 7.156 -6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.011 8.460 -5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.564 7.706 -7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.238 9.209 -7.603 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.546 7.874 -9.465 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.083 7.620 -8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.334 5.443 -9.241 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.020 5.583 -7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.131 4.635 -8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.707 6.151 -8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.017 5.986 -9.689 1.00 0.00 H new ATOM 443 N GLY A 31 9.161 11.037 -5.087 1.00 0.00 N ATOM 444 CA GLY A 31 8.747 12.408 -4.849 1.00 0.00 C ATOM 445 C GLY A 31 7.465 12.761 -5.576 1.00 0.00 C ATOM 446 O GLY A 31 7.388 13.786 -6.252 1.00 0.00 O ATOM 0 H GLY A 31 9.370 10.500 -4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.608 12.562 -3.779 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.540 13.084 -5.168 1.00 0.00 H new ATOM 450 N LYS A 32 6.455 11.908 -5.439 1.00 0.00 N ATOM 451 CA LYS A 32 5.169 12.134 -6.088 1.00 0.00 C ATOM 452 C LYS A 32 4.019 11.893 -5.116 1.00 0.00 C ATOM 453 O LYS A 32 3.500 10.781 -5.018 1.00 0.00 O ATOM 454 CB LYS A 32 5.022 11.218 -7.306 1.00 0.00 C ATOM 455 CG LYS A 32 5.850 11.659 -8.501 1.00 0.00 C ATOM 456 CD LYS A 32 5.132 12.725 -9.314 1.00 0.00 C ATOM 457 CE LYS A 32 6.061 13.370 -10.331 1.00 0.00 C ATOM 458 NZ LYS A 32 5.353 14.374 -11.170 1.00 0.00 N ATOM 0 H LYS A 32 6.503 11.054 -4.884 1.00 0.00 H new ATOM 0 HA LYS A 32 5.133 13.173 -6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.313 10.206 -7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.972 11.179 -7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.809 12.047 -8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.063 10.798 -9.135 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.280 12.280 -9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.736 13.489 -8.645 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.890 13.851 -9.812 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.490 12.599 -10.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.020 14.791 -11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.577 13.911 -11.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.966 15.123 -10.562 1.00 0.00 H new ATOM 472 N GLU A 33 3.625 12.941 -4.399 1.00 0.00 N ATOM 473 CA GLU A 33 2.536 12.842 -3.436 1.00 0.00 C ATOM 474 C GLU A 33 1.427 11.933 -3.960 1.00 0.00 C ATOM 475 O GLU A 33 0.696 12.295 -4.881 1.00 0.00 O ATOM 476 CB GLU A 33 1.970 14.229 -3.128 1.00 0.00 C ATOM 477 CG GLU A 33 1.304 14.894 -4.321 1.00 0.00 C ATOM 478 CD GLU A 33 2.118 14.759 -5.593 1.00 0.00 C ATOM 479 OE1 GLU A 33 2.971 15.635 -5.848 1.00 0.00 O ATOM 480 OE2 GLU A 33 1.902 13.777 -6.333 1.00 0.00 O ATOM 0 H GLU A 33 4.044 13.868 -4.467 1.00 0.00 H new ATOM 0 HA GLU A 33 2.935 12.409 -2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.245 14.145 -2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.776 14.869 -2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.319 14.453 -4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.149 15.951 -4.104 1.00 0.00 H new ATOM 487 N GLY A 34 1.310 10.749 -3.366 1.00 0.00 N ATOM 488 CA GLY A 34 0.290 9.806 -3.786 1.00 0.00 C ATOM 489 C GLY A 34 0.854 8.427 -4.063 1.00 0.00 C ATOM 490 O GLY A 34 0.120 7.439 -4.072 1.00 0.00 O ATOM 0 H GLY A 34 1.903 10.426 -2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.474 9.734 -3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.200 10.182 -4.684 1.00 0.00 H new ATOM 494 N ALA A 35 2.162 8.359 -4.292 1.00 0.00 N ATOM 495 CA ALA A 35 2.824 7.091 -4.571 1.00 0.00 C ATOM 496 C ALA A 35 2.473 6.045 -3.518 1.00 0.00 C ATOM 497 O ALA A 35 2.340 6.360 -2.335 1.00 0.00 O ATOM 498 CB ALA A 35 4.331 7.286 -4.641 1.00 0.00 C ATOM 0 H ALA A 35 2.784 9.168 -4.290 1.00 0.00 H new ATOM 0 HA ALA A 35 2.470 6.730 -5.537 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.812 6.331 -4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.570 7.994 -5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.692 7.674 -3.688 1.00 0.00 H new ATOM 504 N PHE A 36 2.322 4.799 -3.955 1.00 0.00 N ATOM 505 CA PHE A 36 1.984 3.706 -3.051 1.00 0.00 C ATOM 506 C PHE A 36 2.680 2.416 -3.472 1.00 0.00 C ATOM 507 O PHE A 36 3.158 2.297 -4.600 1.00 0.00 O ATOM 508 CB PHE A 36 0.470 3.495 -3.016 1.00 0.00 C ATOM 509 CG PHE A 36 -0.032 2.577 -4.093 1.00 0.00 C ATOM 510 CD1 PHE A 36 -0.094 1.209 -3.883 1.00 0.00 C ATOM 511 CD2 PHE A 36 -0.442 3.082 -5.317 1.00 0.00 C ATOM 512 CE1 PHE A 36 -0.555 0.361 -4.873 1.00 0.00 C ATOM 513 CE2 PHE A 36 -0.905 2.239 -6.310 1.00 0.00 C ATOM 514 CZ PHE A 36 -0.960 0.877 -6.088 1.00 0.00 C ATOM 0 H PHE A 36 2.429 4.521 -4.931 1.00 0.00 H new ATOM 0 HA PHE A 36 2.329 3.974 -2.052 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.190 3.089 -2.044 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.026 4.461 -3.113 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.222 0.800 -2.935 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.399 4.146 -5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.598 -0.704 -4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.223 2.645 -7.259 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.319 0.217 -6.863 1.00 0.00 H new ATOM 524 N MET A 37 2.733 1.453 -2.558 1.00 0.00 N ATOM 525 CA MET A 37 3.370 0.171 -2.835 1.00 0.00 C ATOM 526 C MET A 37 2.923 -0.887 -1.830 1.00 0.00 C ATOM 527 O MET A 37 2.414 -0.562 -0.757 1.00 0.00 O ATOM 528 CB MET A 37 4.892 0.315 -2.798 1.00 0.00 C ATOM 529 CG MET A 37 5.470 0.304 -1.392 1.00 0.00 C ATOM 530 SD MET A 37 6.994 1.256 -1.260 1.00 0.00 S ATOM 531 CE MET A 37 8.061 0.344 -2.372 1.00 0.00 C ATOM 0 H MET A 37 2.343 1.536 -1.619 1.00 0.00 H new ATOM 0 HA MET A 37 3.067 -0.149 -3.832 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.339 -0.496 -3.372 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.173 1.246 -3.290 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.733 0.707 -0.697 1.00 0.00 H new ATOM 0 HG3 MET A 37 5.662 -0.726 -1.091 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.940 0.944 -2.607 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.373 -0.586 -1.896 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.520 0.117 -3.291 1.00 0.00 H new ATOM 541 N VAL A 38 3.115 -2.153 -2.186 1.00 0.00 N ATOM 542 CA VAL A 38 2.732 -3.258 -1.315 1.00 0.00 C ATOM 543 C VAL A 38 3.892 -4.226 -1.113 1.00 0.00 C ATOM 544 O VAL A 38 4.349 -4.869 -2.058 1.00 0.00 O ATOM 545 CB VAL A 38 1.527 -4.030 -1.885 1.00 0.00 C ATOM 546 CG1 VAL A 38 1.071 -5.103 -0.909 1.00 0.00 C ATOM 547 CG2 VAL A 38 0.389 -3.075 -2.210 1.00 0.00 C ATOM 0 H VAL A 38 3.533 -2.439 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 38 2.454 -2.823 -0.355 1.00 0.00 H new ATOM 0 HB VAL A 38 1.835 -4.520 -2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.219 -5.638 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.887 -5.803 -0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.780 -4.638 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.454 -3.637 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.080 -2.555 -1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.725 -2.347 -2.949 1.00 0.00 H new ATOM 557 N ARG A 39 4.364 -4.325 0.125 1.00 0.00 N ATOM 558 CA ARG A 39 5.473 -5.214 0.453 1.00 0.00 C ATOM 559 C ARG A 39 4.969 -6.483 1.134 1.00 0.00 C ATOM 560 O ARG A 39 3.814 -6.558 1.551 1.00 0.00 O ATOM 561 CB ARG A 39 6.477 -4.500 1.358 1.00 0.00 C ATOM 562 CG ARG A 39 5.930 -4.176 2.738 1.00 0.00 C ATOM 563 CD ARG A 39 7.037 -3.754 3.692 1.00 0.00 C ATOM 564 NE ARG A 39 7.655 -4.900 4.354 1.00 0.00 N ATOM 565 CZ ARG A 39 8.648 -4.794 5.230 1.00 0.00 C ATOM 566 NH1 ARG A 39 9.134 -3.602 5.547 1.00 0.00 N ATOM 567 NH2 ARG A 39 9.159 -5.883 5.792 1.00 0.00 N ATOM 0 H ARG A 39 3.996 -3.800 0.918 1.00 0.00 H new ATOM 0 HA ARG A 39 5.969 -5.494 -0.477 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.364 -5.124 1.465 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.794 -3.575 0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.192 -3.378 2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.415 -5.048 3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.797 -3.199 3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.630 -3.077 4.443 1.00 0.00 H new ATOM 0 HE ARG A 39 7.305 -5.832 4.132 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.745 -2.762 5.118 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.896 -3.525 6.220 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.789 -6.803 5.551 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.921 -5.800 6.464 1.00 0.00 H new ATOM 581 N ASN A 40 5.843 -7.477 1.244 1.00 0.00 N ATOM 582 CA ASN A 40 5.487 -8.743 1.874 1.00 0.00 C ATOM 583 C ASN A 40 6.230 -8.921 3.195 1.00 0.00 C ATOM 584 O ASN A 40 7.443 -8.721 3.269 1.00 0.00 O ATOM 585 CB ASN A 40 5.804 -9.910 0.938 1.00 0.00 C ATOM 586 CG ASN A 40 7.220 -10.424 1.112 1.00 0.00 C ATOM 587 OD1 ASN A 40 7.514 -11.160 2.053 1.00 0.00 O ATOM 588 ND2 ASN A 40 8.105 -10.037 0.200 1.00 0.00 N ATOM 0 H ASN A 40 6.804 -7.431 0.905 1.00 0.00 H new ATOM 0 HA ASN A 40 4.416 -8.730 2.078 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.101 -10.722 1.123 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.660 -9.593 -0.095 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.073 -10.351 0.263 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.816 -9.426 -0.564 1.00 0.00 H new ATOM 595 N SER A 41 5.494 -9.299 4.236 1.00 0.00 N ATOM 596 CA SER A 41 6.081 -9.501 5.554 1.00 0.00 C ATOM 597 C SER A 41 6.872 -10.805 5.602 1.00 0.00 C ATOM 598 O SER A 41 6.623 -11.725 4.824 1.00 0.00 O ATOM 599 CB SER A 41 4.990 -9.515 6.626 1.00 0.00 C ATOM 600 OG SER A 41 5.529 -9.230 7.906 1.00 0.00 O ATOM 0 H SER A 41 4.490 -9.471 4.191 1.00 0.00 H new ATOM 0 HA SER A 41 6.763 -8.674 5.751 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.224 -8.780 6.379 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.504 -10.490 6.642 1.00 0.00 H new ATOM 0 HG SER A 41 4.812 -9.243 8.573 1.00 0.00 H new ATOM 657 N MET A 46 1.297 -12.483 5.613 1.00 0.00 N ATOM 658 CA MET A 46 1.073 -11.091 5.983 1.00 0.00 C ATOM 659 C MET A 46 1.607 -10.150 4.908 1.00 0.00 C ATOM 660 O MET A 46 2.407 -10.550 4.061 1.00 0.00 O ATOM 661 CB MET A 46 1.742 -10.784 7.325 1.00 0.00 C ATOM 662 CG MET A 46 0.907 -11.194 8.527 1.00 0.00 C ATOM 663 SD MET A 46 0.863 -12.981 8.764 1.00 0.00 S ATOM 664 CE MET A 46 -0.763 -13.367 8.120 1.00 0.00 C ATOM 0 HA MET A 46 -0.002 -10.934 6.077 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.703 -11.297 7.368 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.948 -9.715 7.383 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.311 -10.722 9.423 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.110 -10.823 8.402 1.00 0.00 H new ATOM 0 HE1 MET A 46 -0.860 -14.446 7.998 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.524 -13.011 8.815 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.897 -12.880 7.154 1.00 0.00 H new ATOM 674 N TYR A 47 1.163 -8.900 4.949 1.00 0.00 N ATOM 675 CA TYR A 47 1.594 -7.902 3.976 1.00 0.00 C ATOM 676 C TYR A 47 1.597 -6.507 4.592 1.00 0.00 C ATOM 677 O TYR A 47 1.232 -6.326 5.754 1.00 0.00 O ATOM 678 CB TYR A 47 0.683 -7.929 2.748 1.00 0.00 C ATOM 679 CG TYR A 47 0.930 -9.110 1.836 1.00 0.00 C ATOM 680 CD1 TYR A 47 0.303 -10.328 2.060 1.00 0.00 C ATOM 681 CD2 TYR A 47 1.790 -9.004 0.749 1.00 0.00 C ATOM 682 CE1 TYR A 47 0.526 -11.409 1.230 1.00 0.00 C ATOM 683 CE2 TYR A 47 2.018 -10.080 -0.087 1.00 0.00 C ATOM 684 CZ TYR A 47 1.384 -11.280 0.157 1.00 0.00 C ATOM 685 OH TYR A 47 1.608 -12.355 -0.673 1.00 0.00 O ATOM 0 H TYR A 47 0.504 -8.552 5.646 1.00 0.00 H new ATOM 0 HA TYR A 47 2.611 -8.146 3.670 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.356 -7.946 3.077 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.823 -7.008 2.182 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.371 -10.432 2.898 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.288 -8.065 0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.032 -12.350 1.420 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.689 -9.982 -0.927 1.00 0.00 H new ATOM 0 HH TYR A 47 0.810 -12.923 -0.695 1.00 0.00 H new ATOM 695 N THR A 48 2.012 -5.520 3.803 1.00 0.00 N ATOM 696 CA THR A 48 2.063 -4.139 4.268 1.00 0.00 C ATOM 697 C THR A 48 2.034 -3.163 3.098 1.00 0.00 C ATOM 698 O THR A 48 2.724 -3.357 2.097 1.00 0.00 O ATOM 699 CB THR A 48 3.327 -3.877 5.109 1.00 0.00 C ATOM 700 OG1 THR A 48 3.453 -4.874 6.130 1.00 0.00 O ATOM 701 CG2 THR A 48 3.277 -2.497 5.746 1.00 0.00 C ATOM 0 H THR A 48 2.318 -5.652 2.839 1.00 0.00 H new ATOM 0 HA THR A 48 1.182 -3.982 4.890 1.00 0.00 H new ATOM 0 HB THR A 48 4.192 -3.924 4.447 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.566 -5.223 6.357 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.180 -2.335 6.335 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.211 -1.738 4.966 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.404 -2.427 6.395 1.00 0.00 H new ATOM 709 N VAL A 49 1.232 -2.112 3.231 1.00 0.00 N ATOM 710 CA VAL A 49 1.115 -1.103 2.184 1.00 0.00 C ATOM 711 C VAL A 49 1.721 0.223 2.628 1.00 0.00 C ATOM 712 O VAL A 49 1.091 0.995 3.349 1.00 0.00 O ATOM 713 CB VAL A 49 -0.357 -0.875 1.787 1.00 0.00 C ATOM 714 CG1 VAL A 49 -0.459 0.181 0.698 1.00 0.00 C ATOM 715 CG2 VAL A 49 -0.995 -2.180 1.338 1.00 0.00 C ATOM 0 H VAL A 49 0.654 -1.937 4.053 1.00 0.00 H new ATOM 0 HA VAL A 49 1.663 -1.478 1.320 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.899 -0.514 2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.505 0.328 0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.042 1.120 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.097 -0.147 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.034 -2.001 1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.453 -2.573 0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.956 -2.903 2.153 1.00 0.00 H new ATOM 725 N SER A 50 2.950 0.481 2.191 1.00 0.00 N ATOM 726 CA SER A 50 3.644 1.713 2.546 1.00 0.00 C ATOM 727 C SER A 50 3.561 2.729 1.411 1.00 0.00 C ATOM 728 O SER A 50 4.292 2.636 0.424 1.00 0.00 O ATOM 729 CB SER A 50 5.108 1.421 2.878 1.00 0.00 C ATOM 730 OG SER A 50 5.231 0.802 4.147 1.00 0.00 O ATOM 0 H SER A 50 3.485 -0.147 1.591 1.00 0.00 H new ATOM 0 HA SER A 50 3.157 2.135 3.425 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.536 0.774 2.112 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.679 2.350 2.866 1.00 0.00 H new ATOM 0 HG SER A 50 6.176 0.625 4.334 1.00 0.00 H new ATOM 736 N LEU A 51 2.666 3.700 1.559 1.00 0.00 N ATOM 737 CA LEU A 51 2.487 4.735 0.548 1.00 0.00 C ATOM 738 C LEU A 51 2.893 6.102 1.089 1.00 0.00 C ATOM 739 O LEU A 51 2.672 6.408 2.262 1.00 0.00 O ATOM 740 CB LEU A 51 1.031 4.772 0.080 1.00 0.00 C ATOM 741 CG LEU A 51 0.014 5.297 1.093 1.00 0.00 C ATOM 742 CD1 LEU A 51 -0.090 6.812 1.009 1.00 0.00 C ATOM 743 CD2 LEU A 51 -1.348 4.655 0.863 1.00 0.00 C ATOM 0 H LEU A 51 2.053 3.792 2.369 1.00 0.00 H new ATOM 0 HA LEU A 51 3.129 4.495 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.974 5.390 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.738 3.763 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 51 0.356 5.031 2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.819 7.168 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.882 7.256 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.408 7.100 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.060 5.040 1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.696 4.891 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.264 3.574 0.974 1.00 0.00 H new ATOM 755 N PHE A 52 3.485 6.923 0.228 1.00 0.00 N ATOM 756 CA PHE A 52 3.921 8.258 0.620 1.00 0.00 C ATOM 757 C PHE A 52 2.772 9.256 0.519 1.00 0.00 C ATOM 758 O PHE A 52 1.943 9.176 -0.387 1.00 0.00 O ATOM 759 CB PHE A 52 5.087 8.716 -0.259 1.00 0.00 C ATOM 760 CG PHE A 52 5.503 10.138 -0.012 1.00 0.00 C ATOM 761 CD1 PHE A 52 4.836 11.186 -0.627 1.00 0.00 C ATOM 762 CD2 PHE A 52 6.558 10.427 0.837 1.00 0.00 C ATOM 763 CE1 PHE A 52 5.217 12.494 -0.402 1.00 0.00 C ATOM 764 CE2 PHE A 52 6.944 11.734 1.067 1.00 0.00 C ATOM 765 CZ PHE A 52 6.271 12.769 0.448 1.00 0.00 C ATOM 0 H PHE A 52 3.674 6.687 -0.746 1.00 0.00 H new ATOM 0 HA PHE A 52 4.252 8.215 1.658 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.941 8.061 -0.086 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.807 8.605 -1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.009 10.977 -1.290 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.086 9.621 1.325 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.692 13.302 -0.890 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.770 11.946 1.729 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.568 13.792 0.628 1.00 0.00 H new ATOM 775 N SER A 53 2.728 10.197 1.458 1.00 0.00 N ATOM 776 CA SER A 53 1.679 11.208 1.479 1.00 0.00 C ATOM 777 C SER A 53 2.051 12.358 2.409 1.00 0.00 C ATOM 778 O SER A 53 2.670 12.153 3.454 1.00 0.00 O ATOM 779 CB SER A 53 0.352 10.588 1.923 1.00 0.00 C ATOM 780 OG SER A 53 0.359 10.308 3.312 1.00 0.00 O ATOM 0 H SER A 53 3.408 10.279 2.214 1.00 0.00 H new ATOM 0 HA SER A 53 1.568 11.602 0.469 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.467 11.269 1.690 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.171 9.669 1.365 1.00 0.00 H new ATOM 0 HG SER A 53 -0.500 9.914 3.571 1.00 0.00 H new ATOM 786 N LYS A 54 1.669 13.571 2.023 1.00 0.00 N ATOM 787 CA LYS A 54 1.961 14.756 2.821 1.00 0.00 C ATOM 788 C LYS A 54 0.768 15.131 3.693 1.00 0.00 C ATOM 789 O LYS A 54 -0.363 15.211 3.214 1.00 0.00 O ATOM 790 CB LYS A 54 2.331 15.930 1.912 1.00 0.00 C ATOM 791 CG LYS A 54 3.656 15.749 1.193 1.00 0.00 C ATOM 792 CD LYS A 54 4.247 17.082 0.767 1.00 0.00 C ATOM 793 CE LYS A 54 5.164 16.927 -0.436 1.00 0.00 C ATOM 794 NZ LYS A 54 4.433 16.415 -1.628 1.00 0.00 N ATOM 0 H LYS A 54 1.156 13.759 1.162 1.00 0.00 H new ATOM 0 HA LYS A 54 2.806 14.527 3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.542 16.069 1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.373 16.841 2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.358 15.231 1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.512 15.117 0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.443 17.777 0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.805 17.516 1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.617 17.889 -0.674 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.977 16.245 -0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.642 17.018 -2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.735 15.440 -1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.410 16.428 -1.440 1.00 0.00 H new ATOM 904 N GLY A 61 6.988 15.546 4.055 1.00 0.00 N ATOM 905 CA GLY A 61 6.179 14.375 3.772 1.00 0.00 C ATOM 906 C GLY A 61 6.387 13.268 4.786 1.00 0.00 C ATOM 907 O GLY A 61 7.389 13.250 5.502 1.00 0.00 O ATOM 0 HA2 GLY A 61 5.127 14.659 3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.421 14.002 2.777 1.00 0.00 H new ATOM 911 N THR A 62 5.436 12.341 4.851 1.00 0.00 N ATOM 912 CA THR A 62 5.518 11.226 5.787 1.00 0.00 C ATOM 913 C THR A 62 4.904 9.963 5.194 1.00 0.00 C ATOM 914 O THR A 62 3.801 9.996 4.645 1.00 0.00 O ATOM 915 CB THR A 62 4.809 11.554 7.114 1.00 0.00 C ATOM 916 OG1 THR A 62 5.304 12.790 7.643 1.00 0.00 O ATOM 917 CG2 THR A 62 5.020 10.441 8.130 1.00 0.00 C ATOM 0 H THR A 62 4.600 12.340 4.267 1.00 0.00 H new ATOM 0 HA THR A 62 6.577 11.054 5.982 1.00 0.00 H new ATOM 0 HB THR A 62 3.741 11.646 6.916 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.847 12.992 8.486 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.510 10.695 9.059 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.615 9.508 7.737 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.086 10.321 8.322 1.00 0.00 H new ATOM 925 N VAL A 63 5.622 8.851 5.308 1.00 0.00 N ATOM 926 CA VAL A 63 5.146 7.576 4.784 1.00 0.00 C ATOM 927 C VAL A 63 4.316 6.830 5.824 1.00 0.00 C ATOM 928 O VAL A 63 4.733 6.676 6.972 1.00 0.00 O ATOM 929 CB VAL A 63 6.317 6.680 4.339 1.00 0.00 C ATOM 930 CG1 VAL A 63 5.809 5.515 3.503 1.00 0.00 C ATOM 931 CG2 VAL A 63 7.345 7.493 3.567 1.00 0.00 C ATOM 0 H VAL A 63 6.536 8.807 5.759 1.00 0.00 H new ATOM 0 HA VAL A 63 4.522 7.802 3.919 1.00 0.00 H new ATOM 0 HB VAL A 63 6.801 6.275 5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.650 4.893 3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.113 4.920 4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.300 5.897 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.166 6.845 3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.876 7.928 2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.731 8.290 4.203 1.00 0.00 H new ATOM 941 N LYS A 64 3.139 6.369 5.414 1.00 0.00 N ATOM 942 CA LYS A 64 2.250 5.638 6.307 1.00 0.00 C ATOM 943 C LYS A 64 2.383 4.133 6.095 1.00 0.00 C ATOM 944 O LYS A 64 2.717 3.678 5.001 1.00 0.00 O ATOM 945 CB LYS A 64 0.799 6.069 6.082 1.00 0.00 C ATOM 946 CG LYS A 64 0.427 7.352 6.805 1.00 0.00 C ATOM 947 CD LYS A 64 1.027 8.571 6.125 1.00 0.00 C ATOM 948 CE LYS A 64 0.489 9.863 6.719 1.00 0.00 C ATOM 949 NZ LYS A 64 1.127 10.181 8.026 1.00 0.00 N ATOM 0 H LYS A 64 2.779 6.489 4.467 1.00 0.00 H new ATOM 0 HA LYS A 64 2.536 5.870 7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.630 6.202 5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.136 5.270 6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.658 7.450 6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.774 7.303 7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.112 8.547 6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.805 8.540 5.058 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.662 10.683 6.022 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.590 9.780 6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.733 11.069 8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.941 9.411 8.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.153 10.286 7.895 1.00 0.00 H new ATOM 963 N HIS A 65 2.117 3.366 7.147 1.00 0.00 N ATOM 964 CA HIS A 65 2.204 1.911 7.075 1.00 0.00 C ATOM 965 C HIS A 65 0.868 1.268 7.433 1.00 0.00 C ATOM 966 O HIS A 65 0.345 1.471 8.529 1.00 0.00 O ATOM 967 CB HIS A 65 3.299 1.398 8.011 1.00 0.00 C ATOM 968 CG HIS A 65 3.234 1.986 9.387 1.00 0.00 C ATOM 969 ND1 HIS A 65 3.521 3.231 9.833 1.00 0.00 N flip ATOM 970 CD2 HIS A 65 2.835 1.267 10.494 1.00 0.00 C flip ATOM 971 CE1 HIS A 65 3.292 3.242 11.187 1.00 0.00 C flip ATOM 972 NE2 HIS A 65 2.878 2.045 11.560 1.00 0.00 N flip ATOM 0 H HIS A 65 1.839 3.727 8.060 1.00 0.00 H new ATOM 0 HA HIS A 65 2.455 1.637 6.050 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.224 0.313 8.084 1.00 0.00 H new ATOM 0 HB3 HIS A 65 4.273 1.621 7.575 1.00 0.00 H new ATOM 0 HD2 HIS A 65 2.534 0.230 10.490 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.428 4.091 11.840 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.633 1.768 12.511 1.00 0.00 H new ATOM 981 N TYR A 66 0.323 0.493 6.503 1.00 0.00 N ATOM 982 CA TYR A 66 -0.954 -0.178 6.720 1.00 0.00 C ATOM 983 C TYR A 66 -0.774 -1.692 6.764 1.00 0.00 C ATOM 984 O TYR A 66 -0.131 -2.278 5.892 1.00 0.00 O ATOM 985 CB TYR A 66 -1.945 0.197 5.616 1.00 0.00 C ATOM 986 CG TYR A 66 -2.198 1.684 5.510 1.00 0.00 C ATOM 987 CD1 TYR A 66 -2.885 2.364 6.509 1.00 0.00 C ATOM 988 CD2 TYR A 66 -1.753 2.408 4.411 1.00 0.00 C ATOM 989 CE1 TYR A 66 -3.118 3.723 6.415 1.00 0.00 C ATOM 990 CE2 TYR A 66 -1.982 3.766 4.310 1.00 0.00 C ATOM 991 CZ TYR A 66 -2.665 4.419 5.314 1.00 0.00 C ATOM 992 OH TYR A 66 -2.896 5.772 5.218 1.00 0.00 O ATOM 0 H TYR A 66 0.745 0.313 5.592 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.349 0.151 7.681 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.567 -0.168 4.661 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.891 -0.312 5.800 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.242 1.822 7.372 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.219 1.900 3.622 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.652 4.237 7.200 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.628 4.314 3.449 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.511 6.111 4.383 1.00 0.00 H new ATOM 1002 N HIS A 67 -1.347 -2.320 7.785 1.00 0.00 N ATOM 1003 CA HIS A 67 -1.251 -3.767 7.944 1.00 0.00 C ATOM 1004 C HIS A 67 -2.466 -4.462 7.337 1.00 0.00 C ATOM 1005 O HIS A 67 -3.561 -3.900 7.299 1.00 0.00 O ATOM 1006 CB HIS A 67 -1.127 -4.132 9.423 1.00 0.00 C ATOM 1007 CG HIS A 67 -0.495 -5.470 9.660 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -1.181 -6.659 9.536 1.00 0.00 N ATOM 1009 CD2 HIS A 67 0.769 -5.802 10.012 1.00 0.00 C ATOM 1010 CE1 HIS A 67 -0.368 -7.664 9.803 1.00 0.00 C ATOM 1011 NE2 HIS A 67 0.822 -7.171 10.095 1.00 0.00 N ATOM 0 H HIS A 67 -1.883 -1.850 8.515 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.359 -4.107 7.418 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.539 -3.367 9.929 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.119 -4.123 9.875 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.584 -5.117 10.194 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -0.631 -8.711 9.786 1.00 0.00 H new ATOM 0 HE2 HIS A 67 1.646 -7.719 10.342 1.00 0.00 H new ATOM 1020 N VAL A 68 -2.266 -5.687 6.863 1.00 0.00 N ATOM 1021 CA VAL A 68 -3.346 -6.458 6.258 1.00 0.00 C ATOM 1022 C VAL A 68 -3.779 -7.603 7.166 1.00 0.00 C ATOM 1023 O VAL A 68 -3.019 -8.541 7.407 1.00 0.00 O ATOM 1024 CB VAL A 68 -2.927 -7.033 4.891 1.00 0.00 C ATOM 1025 CG1 VAL A 68 -4.051 -7.866 4.295 1.00 0.00 C ATOM 1026 CG2 VAL A 68 -2.523 -5.913 3.944 1.00 0.00 C ATOM 0 H VAL A 68 -1.366 -6.167 6.886 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.183 -5.774 6.116 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.064 -7.683 5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.737 -8.264 3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.289 -8.690 4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.934 -7.242 4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.230 -6.337 2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.365 -5.236 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.684 -5.362 4.369 1.00 0.00 H new ATOM 1036 N HIS A 69 -5.007 -7.521 7.668 1.00 0.00 N ATOM 1037 CA HIS A 69 -5.544 -8.550 8.550 1.00 0.00 C ATOM 1038 C HIS A 69 -6.246 -9.642 7.747 1.00 0.00 C ATOM 1039 O HIS A 69 -6.842 -9.374 6.704 1.00 0.00 O ATOM 1040 CB HIS A 69 -6.518 -7.934 9.555 1.00 0.00 C ATOM 1041 CG HIS A 69 -5.873 -6.963 10.496 1.00 0.00 C ATOM 1042 ND1 HIS A 69 -4.588 -7.116 10.971 1.00 0.00 N ATOM 1043 CD2 HIS A 69 -6.343 -5.820 11.047 1.00 0.00 C ATOM 1044 CE1 HIS A 69 -4.296 -6.110 11.776 1.00 0.00 C ATOM 1045 NE2 HIS A 69 -5.345 -5.309 11.839 1.00 0.00 N ATOM 0 H HIS A 69 -5.649 -6.752 7.479 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.712 -8.999 9.091 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.315 -7.426 9.012 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.984 -8.732 10.133 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -7.321 -5.390 10.892 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.359 -5.967 12.294 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.404 -4.451 12.387 1.00 0.00 H new ATOM 1054 N THR A 70 -6.168 -10.875 8.240 1.00 0.00 N ATOM 1055 CA THR A 70 -6.795 -12.006 7.568 1.00 0.00 C ATOM 1056 C THR A 70 -7.999 -12.513 8.351 1.00 0.00 C ATOM 1057 O THR A 70 -7.934 -12.682 9.569 1.00 0.00 O ATOM 1058 CB THR A 70 -5.798 -13.165 7.373 1.00 0.00 C ATOM 1059 OG1 THR A 70 -4.509 -12.649 7.024 1.00 0.00 O ATOM 1060 CG2 THR A 70 -6.279 -14.117 6.290 1.00 0.00 C ATOM 0 H THR A 70 -5.677 -11.115 9.101 1.00 0.00 H new ATOM 0 HA THR A 70 -7.125 -11.651 6.592 1.00 0.00 H new ATOM 0 HB THR A 70 -5.727 -13.715 8.311 1.00 0.00 H new ATOM 0 HG1 THR A 70 -3.881 -13.392 6.904 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.559 -14.926 6.171 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.247 -14.531 6.573 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.377 -13.577 5.348 1.00 0.00 H new ATOM 1068 N ASN A 71 -9.099 -12.756 7.645 1.00 0.00 N ATOM 1069 CA ASN A 71 -10.320 -13.245 8.276 1.00 0.00 C ATOM 1070 C ASN A 71 -10.342 -14.770 8.310 1.00 0.00 C ATOM 1071 O ASN A 71 -9.465 -15.426 7.749 1.00 0.00 O ATOM 1072 CB ASN A 71 -11.549 -12.722 7.530 1.00 0.00 C ATOM 1073 CG ASN A 71 -12.796 -12.727 8.393 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -12.733 -13.007 9.591 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -13.936 -12.418 7.788 1.00 0.00 N ATOM 0 H ASN A 71 -9.170 -12.622 6.636 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.342 -12.877 9.302 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.355 -11.707 7.183 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.721 -13.334 6.645 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -14.808 -12.406 8.318 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.941 -12.193 6.793 1.00 0.00 H new ATOM 1082 N ALA A 72 -11.351 -15.327 8.970 1.00 0.00 N ATOM 1083 CA ALA A 72 -11.490 -16.775 9.074 1.00 0.00 C ATOM 1084 C ALA A 72 -11.533 -17.423 7.694 1.00 0.00 C ATOM 1085 O ALA A 72 -10.960 -18.491 7.484 1.00 0.00 O ATOM 1086 CB ALA A 72 -12.740 -17.129 9.865 1.00 0.00 C ATOM 0 H ALA A 72 -12.085 -14.798 9.441 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.618 -17.162 9.601 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.832 -18.213 9.935 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.669 -16.705 10.867 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.617 -16.723 9.361 1.00 0.00 H new ATOM 1092 N GLU A 73 -12.215 -16.769 6.760 1.00 0.00 N ATOM 1093 CA GLU A 73 -12.334 -17.285 5.400 1.00 0.00 C ATOM 1094 C GLU A 73 -11.147 -16.845 4.547 1.00 0.00 C ATOM 1095 O GLU A 73 -11.221 -16.839 3.319 1.00 0.00 O ATOM 1096 CB GLU A 73 -13.640 -16.807 4.762 1.00 0.00 C ATOM 1097 CG GLU A 73 -14.884 -17.362 5.435 1.00 0.00 C ATOM 1098 CD GLU A 73 -16.150 -17.060 4.657 1.00 0.00 C ATOM 1099 OE1 GLU A 73 -16.741 -15.982 4.882 1.00 0.00 O ATOM 1100 OE2 GLU A 73 -16.552 -17.900 3.825 1.00 0.00 O ATOM 0 H GLU A 73 -12.693 -15.882 6.919 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.340 -18.374 5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.674 -15.718 4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.647 -17.094 3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.780 -18.441 5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.969 -16.942 6.437 1.00 0.00 H new ATOM 1107 N ASN A 74 -10.054 -16.478 5.209 1.00 0.00 N ATOM 1108 CA ASN A 74 -8.852 -16.036 4.512 1.00 0.00 C ATOM 1109 C ASN A 74 -9.133 -14.790 3.677 1.00 0.00 C ATOM 1110 O ASN A 74 -8.703 -14.688 2.528 1.00 0.00 O ATOM 1111 CB ASN A 74 -8.316 -17.154 3.615 1.00 0.00 C ATOM 1112 CG ASN A 74 -8.043 -18.432 4.384 1.00 0.00 C ATOM 1113 OD1 ASN A 74 -7.455 -18.404 5.466 1.00 0.00 O ATOM 1114 ND2 ASN A 74 -8.468 -19.560 3.828 1.00 0.00 N ATOM 0 H ASN A 74 -9.976 -16.478 6.226 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.100 -15.788 5.261 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -9.036 -17.357 2.823 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.397 -16.820 3.133 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.312 -20.451 4.299 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.951 -19.536 2.930 1.00 0.00 H new ATOM 1121 N LYS A 75 -9.858 -13.844 4.263 1.00 0.00 N ATOM 1122 CA LYS A 75 -10.197 -12.603 3.577 1.00 0.00 C ATOM 1123 C LYS A 75 -9.159 -11.522 3.861 1.00 0.00 C ATOM 1124 O LYS A 75 -8.911 -11.176 5.017 1.00 0.00 O ATOM 1125 CB LYS A 75 -11.585 -12.120 4.007 1.00 0.00 C ATOM 1126 CG LYS A 75 -12.719 -12.987 3.491 1.00 0.00 C ATOM 1127 CD LYS A 75 -13.989 -12.180 3.284 1.00 0.00 C ATOM 1128 CE LYS A 75 -15.231 -13.043 3.442 1.00 0.00 C ATOM 1129 NZ LYS A 75 -15.474 -13.889 2.241 1.00 0.00 N ATOM 0 H LYS A 75 -10.223 -13.913 5.213 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.205 -12.801 2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.629 -12.090 5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.730 -11.099 3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.424 -13.451 2.550 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.911 -13.794 4.198 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.021 -11.360 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.979 -11.733 2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.121 -13.681 4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.097 -12.405 3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.329 -14.462 2.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.604 -13.280 1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.659 -14.516 2.087 1.00 0.00 H new ATOM 1143 N LEU A 76 -8.558 -10.992 2.803 1.00 0.00 N ATOM 1144 CA LEU A 76 -7.547 -9.949 2.939 1.00 0.00 C ATOM 1145 C LEU A 76 -8.170 -8.565 2.788 1.00 0.00 C ATOM 1146 O LEU A 76 -8.967 -8.327 1.880 1.00 0.00 O ATOM 1147 CB LEU A 76 -6.444 -10.141 1.897 1.00 0.00 C ATOM 1148 CG LEU A 76 -5.743 -11.500 1.904 1.00 0.00 C ATOM 1149 CD1 LEU A 76 -5.076 -11.763 0.563 1.00 0.00 C ATOM 1150 CD2 LEU A 76 -4.724 -11.569 3.032 1.00 0.00 C ATOM 0 H LEU A 76 -8.753 -11.267 1.840 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.113 -10.025 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.874 -9.982 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.692 -9.366 2.046 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.493 -12.273 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.582 -12.734 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.829 -11.758 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.338 -10.986 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.235 -12.543 3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.977 -10.787 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.229 -11.427 3.988 1.00 0.00 H new ATOM 1162 N TYR A 77 -7.801 -7.654 3.682 1.00 0.00 N ATOM 1163 CA TYR A 77 -8.323 -6.294 3.649 1.00 0.00 C ATOM 1164 C TYR A 77 -7.402 -5.338 4.402 1.00 0.00 C ATOM 1165 O TYR A 77 -6.463 -5.764 5.076 1.00 0.00 O ATOM 1166 CB TYR A 77 -9.727 -6.249 4.252 1.00 0.00 C ATOM 1167 CG TYR A 77 -9.829 -6.926 5.601 1.00 0.00 C ATOM 1168 CD1 TYR A 77 -10.083 -8.288 5.700 1.00 0.00 C ATOM 1169 CD2 TYR A 77 -9.671 -6.202 6.777 1.00 0.00 C ATOM 1170 CE1 TYR A 77 -10.177 -8.910 6.929 1.00 0.00 C ATOM 1171 CE2 TYR A 77 -9.762 -6.816 8.011 1.00 0.00 C ATOM 1172 CZ TYR A 77 -10.015 -8.170 8.082 1.00 0.00 C ATOM 1173 OH TYR A 77 -10.108 -8.785 9.309 1.00 0.00 O ATOM 0 H TYR A 77 -7.142 -7.834 4.439 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.373 -5.977 2.607 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.037 -5.209 4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.425 -6.724 3.563 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.209 -8.871 4.800 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.474 -5.141 6.725 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.376 -9.970 6.987 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.636 -6.239 8.915 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.968 -8.123 10.018 1.00 0.00 H new ATOM 1183 N LEU A 78 -7.681 -4.044 4.286 1.00 0.00 N ATOM 1184 CA LEU A 78 -6.879 -3.026 4.956 1.00 0.00 C ATOM 1185 C LEU A 78 -7.644 -2.415 6.126 1.00 0.00 C ATOM 1186 O LEU A 78 -7.067 -2.135 7.177 1.00 0.00 O ATOM 1187 CB LEU A 78 -6.479 -1.931 3.966 1.00 0.00 C ATOM 1188 CG LEU A 78 -5.252 -2.223 3.102 1.00 0.00 C ATOM 1189 CD1 LEU A 78 -4.862 -0.994 2.296 1.00 0.00 C ATOM 1190 CD2 LEU A 78 -4.089 -2.688 3.966 1.00 0.00 C ATOM 0 H LEU A 78 -8.456 -3.675 3.735 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.979 -3.503 5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.325 -1.738 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.295 -1.013 4.525 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.504 -3.023 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.987 -1.221 1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.690 -0.706 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.629 -0.173 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.225 -2.891 3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.837 -1.910 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.371 -3.597 4.498 1.00 0.00 H new ATOM 1202 N ALA A 79 -8.943 -2.214 5.937 1.00 0.00 N ATOM 1203 CA ALA A 79 -9.787 -1.641 6.978 1.00 0.00 C ATOM 1204 C ALA A 79 -10.805 -2.658 7.482 1.00 0.00 C ATOM 1205 O ALA A 79 -11.715 -3.052 6.753 1.00 0.00 O ATOM 1206 CB ALA A 79 -10.493 -0.396 6.459 1.00 0.00 C ATOM 0 H ALA A 79 -9.435 -2.440 5.072 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.148 -1.361 7.816 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.120 0.022 7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.751 0.343 6.155 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.114 -0.660 5.603 1.00 0.00 H new ATOM 1212 N GLU A 80 -10.643 -3.081 8.732 1.00 0.00 N ATOM 1213 CA GLU A 80 -11.548 -4.055 9.332 1.00 0.00 C ATOM 1214 C GLU A 80 -12.995 -3.764 8.943 1.00 0.00 C ATOM 1215 O GLU A 80 -13.690 -4.626 8.407 1.00 0.00 O ATOM 1216 CB GLU A 80 -11.407 -4.046 10.855 1.00 0.00 C ATOM 1217 CG GLU A 80 -10.032 -4.474 11.340 1.00 0.00 C ATOM 1218 CD GLU A 80 -9.855 -4.284 12.835 1.00 0.00 C ATOM 1219 OE1 GLU A 80 -9.935 -3.128 13.299 1.00 0.00 O ATOM 1220 OE2 GLU A 80 -9.637 -5.291 13.539 1.00 0.00 O ATOM 0 H GLU A 80 -9.894 -2.765 9.348 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.279 -5.042 8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.618 -3.043 11.225 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.158 -4.709 11.285 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.873 -5.523 11.089 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.270 -3.901 10.812 1.00 0.00 H new ATOM 1227 N ASN A 81 -13.442 -2.542 9.219 1.00 0.00 N ATOM 1228 CA ASN A 81 -14.805 -2.137 8.899 1.00 0.00 C ATOM 1229 C ASN A 81 -15.262 -2.754 7.581 1.00 0.00 C ATOM 1230 O ASN A 81 -16.416 -3.161 7.441 1.00 0.00 O ATOM 1231 CB ASN A 81 -14.901 -0.612 8.822 1.00 0.00 C ATOM 1232 CG ASN A 81 -14.359 0.066 10.065 1.00 0.00 C ATOM 1233 OD1 ASN A 81 -13.231 -0.191 10.484 1.00 0.00 O ATOM 1234 ND2 ASN A 81 -15.163 0.938 10.661 1.00 0.00 N ATOM 0 H ASN A 81 -12.880 -1.816 9.663 1.00 0.00 H new ATOM 0 HA ASN A 81 -15.460 -2.496 9.693 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -14.350 -0.260 7.950 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -15.942 -0.323 8.679 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -14.853 1.426 11.501 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -16.091 1.120 10.279 1.00 0.00 H new ATOM 1241 N TYR A 82 -14.350 -2.823 6.618 1.00 0.00 N ATOM 1242 CA TYR A 82 -14.659 -3.389 5.311 1.00 0.00 C ATOM 1243 C TYR A 82 -13.836 -4.648 5.055 1.00 0.00 C ATOM 1244 O TYR A 82 -12.875 -4.931 5.771 1.00 0.00 O ATOM 1245 CB TYR A 82 -14.393 -2.360 4.211 1.00 0.00 C ATOM 1246 CG TYR A 82 -15.346 -1.187 4.237 1.00 0.00 C ATOM 1247 CD1 TYR A 82 -16.716 -1.376 4.110 1.00 0.00 C ATOM 1248 CD2 TYR A 82 -14.877 0.113 4.387 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -17.591 -0.307 4.132 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -15.744 1.188 4.413 1.00 0.00 C ATOM 1251 CZ TYR A 82 -17.100 0.972 4.284 1.00 0.00 C ATOM 1252 OH TYR A 82 -17.967 2.041 4.308 1.00 0.00 O ATOM 0 H TYR A 82 -13.390 -2.494 6.718 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.715 -3.658 5.300 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.372 -1.990 4.310 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -14.462 -2.852 3.241 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -17.104 -2.377 3.992 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.815 0.286 4.485 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -18.653 -0.473 4.031 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.362 2.191 4.534 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.459 2.871 4.423 1.00 0.00 H new ATOM 1262 N CYS A 83 -14.220 -5.399 4.028 1.00 0.00 N ATOM 1263 CA CYS A 83 -13.519 -6.627 3.676 1.00 0.00 C ATOM 1264 C CYS A 83 -13.450 -6.799 2.161 1.00 0.00 C ATOM 1265 O CYS A 83 -14.317 -6.319 1.432 1.00 0.00 O ATOM 1266 CB CYS A 83 -14.214 -7.835 4.307 1.00 0.00 C ATOM 1267 SG CYS A 83 -15.872 -8.154 3.659 1.00 0.00 S ATOM 0 H CYS A 83 -15.013 -5.178 3.425 1.00 0.00 H new ATOM 0 HA CYS A 83 -12.502 -6.559 4.063 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.597 -8.720 4.148 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.280 -7.681 5.384 1.00 0.00 H new ATOM 0 HG CYS A 83 -16.011 -7.560 2.511 1.00 0.00 H new ATOM 1273 N PHE A 84 -12.412 -7.486 1.695 1.00 0.00 N ATOM 1274 CA PHE A 84 -12.228 -7.719 0.268 1.00 0.00 C ATOM 1275 C PHE A 84 -12.042 -9.206 -0.022 1.00 0.00 C ATOM 1276 O PHE A 84 -12.149 -10.042 0.877 1.00 0.00 O ATOM 1277 CB PHE A 84 -11.022 -6.933 -0.247 1.00 0.00 C ATOM 1278 CG PHE A 84 -11.216 -5.444 -0.211 1.00 0.00 C ATOM 1279 CD1 PHE A 84 -11.266 -4.768 0.997 1.00 0.00 C ATOM 1280 CD2 PHE A 84 -11.350 -4.720 -1.385 1.00 0.00 C ATOM 1281 CE1 PHE A 84 -11.446 -3.398 1.034 1.00 0.00 C ATOM 1282 CE2 PHE A 84 -11.530 -3.350 -1.355 1.00 0.00 C ATOM 1283 CZ PHE A 84 -11.577 -2.688 -0.144 1.00 0.00 C ATOM 0 H PHE A 84 -11.686 -7.891 2.285 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.124 -7.376 -0.249 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.148 -7.192 0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.810 -7.239 -1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.163 -5.318 1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.313 -5.233 -2.335 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.484 -2.883 1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -11.634 -2.798 -2.277 1.00 0.00 H new ATOM 0 HZ PHE A 84 -11.716 -1.617 -0.118 1.00 0.00 H new ATOM 1293 N ASP A 85 -11.762 -9.528 -1.280 1.00 0.00 N ATOM 1294 CA ASP A 85 -11.560 -10.912 -1.688 1.00 0.00 C ATOM 1295 C ASP A 85 -10.091 -11.304 -1.571 1.00 0.00 C ATOM 1296 O ASP A 85 -9.765 -12.407 -1.131 1.00 0.00 O ATOM 1297 CB ASP A 85 -12.043 -11.118 -3.124 1.00 0.00 C ATOM 1298 CG ASP A 85 -11.626 -12.462 -3.689 1.00 0.00 C ATOM 1299 OD1 ASP A 85 -12.220 -13.485 -3.287 1.00 0.00 O ATOM 1300 OD2 ASP A 85 -10.706 -12.492 -4.532 1.00 0.00 O ATOM 0 H ASP A 85 -11.670 -8.848 -2.035 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.142 -11.550 -1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -13.130 -11.036 -3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.646 -10.323 -3.755 1.00 0.00 H new ATOM 1305 N SER A 86 -9.207 -10.394 -1.968 1.00 0.00 N ATOM 1306 CA SER A 86 -7.772 -10.647 -1.911 1.00 0.00 C ATOM 1307 C SER A 86 -6.996 -9.342 -1.759 1.00 0.00 C ATOM 1308 O SER A 86 -7.583 -8.260 -1.711 1.00 0.00 O ATOM 1309 CB SER A 86 -7.313 -11.382 -3.172 1.00 0.00 C ATOM 1310 OG SER A 86 -8.337 -12.223 -3.673 1.00 0.00 O ATOM 0 H SER A 86 -9.459 -9.475 -2.332 1.00 0.00 H new ATOM 0 HA SER A 86 -7.572 -11.272 -1.041 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.027 -10.658 -3.935 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.427 -11.976 -2.948 1.00 0.00 H new ATOM 0 HG SER A 86 -9.037 -11.676 -4.086 1.00 0.00 H new ATOM 1316 N ILE A 87 -5.675 -9.452 -1.685 1.00 0.00 N ATOM 1317 CA ILE A 87 -4.818 -8.281 -1.539 1.00 0.00 C ATOM 1318 C ILE A 87 -4.858 -7.411 -2.791 1.00 0.00 C ATOM 1319 O ILE A 87 -5.185 -6.225 -2.742 1.00 0.00 O ATOM 1320 CB ILE A 87 -3.359 -8.684 -1.255 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -3.126 -8.809 0.253 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -2.401 -7.669 -1.862 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -2.018 -9.773 0.615 1.00 0.00 C ATOM 0 H ILE A 87 -5.174 -10.340 -1.724 1.00 0.00 H new ATOM 0 HA ILE A 87 -5.202 -7.713 -0.692 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.169 -9.654 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.888 -7.826 0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.050 -9.135 0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.374 -7.968 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.553 -7.624 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.589 -6.687 -1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.909 -9.811 1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.263 -10.767 0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.083 -9.437 0.168 1.00 0.00 H new ATOM 1335 N PRO A 88 -4.520 -8.013 -3.941 1.00 0.00 N ATOM 1336 CA PRO A 88 -4.512 -7.312 -5.228 1.00 0.00 C ATOM 1337 C PRO A 88 -5.918 -6.966 -5.709 1.00 0.00 C ATOM 1338 O PRO A 88 -6.094 -6.389 -6.782 1.00 0.00 O ATOM 1339 CB PRO A 88 -3.856 -8.319 -6.176 1.00 0.00 C ATOM 1340 CG PRO A 88 -4.122 -9.648 -5.559 1.00 0.00 C ATOM 1341 CD PRO A 88 -4.120 -9.424 -4.073 1.00 0.00 C ATOM 0 HA PRO A 88 -3.989 -6.358 -5.169 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.281 -8.255 -7.178 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.786 -8.134 -6.272 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.080 -10.048 -5.892 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.358 -10.371 -5.845 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.819 -10.089 -3.565 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.136 -9.605 -3.640 1.00 0.00 H new ATOM 1349 N LYS A 89 -6.916 -7.322 -4.907 1.00 0.00 N ATOM 1350 CA LYS A 89 -8.307 -7.048 -5.248 1.00 0.00 C ATOM 1351 C LYS A 89 -8.782 -5.753 -4.600 1.00 0.00 C ATOM 1352 O LYS A 89 -9.665 -5.072 -5.122 1.00 0.00 O ATOM 1353 CB LYS A 89 -9.200 -8.210 -4.807 1.00 0.00 C ATOM 1354 CG LYS A 89 -10.677 -7.975 -5.070 1.00 0.00 C ATOM 1355 CD LYS A 89 -11.101 -8.538 -6.416 1.00 0.00 C ATOM 1356 CE LYS A 89 -10.790 -7.571 -7.547 1.00 0.00 C ATOM 1357 NZ LYS A 89 -9.447 -7.823 -8.139 1.00 0.00 N ATOM 0 H LYS A 89 -6.787 -7.801 -4.016 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.374 -6.937 -6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.887 -9.116 -5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.053 -8.386 -3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.266 -8.439 -4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.887 -6.906 -5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.589 -9.484 -6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.170 -8.752 -6.402 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.551 -7.662 -8.322 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.836 -6.548 -7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.936 -6.922 -8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.909 -8.461 -7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.557 -8.261 -9.076 1.00 0.00 H new ATOM 1371 N LEU A 90 -8.190 -5.416 -3.459 1.00 0.00 N ATOM 1372 CA LEU A 90 -8.551 -4.201 -2.739 1.00 0.00 C ATOM 1373 C LEU A 90 -7.849 -2.985 -3.336 1.00 0.00 C ATOM 1374 O LEU A 90 -8.437 -1.909 -3.450 1.00 0.00 O ATOM 1375 CB LEU A 90 -8.191 -4.335 -1.258 1.00 0.00 C ATOM 1376 CG LEU A 90 -8.107 -3.030 -0.466 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -8.404 -3.277 1.004 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -6.735 -2.392 -0.635 1.00 0.00 C ATOM 0 H LEU A 90 -7.457 -5.968 -3.013 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.628 -4.059 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.931 -4.978 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.230 -4.844 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.857 -2.342 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.339 -2.337 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.408 -3.689 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.678 -3.983 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.692 -1.464 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.968 -3.076 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.561 -2.178 -1.689 1.00 0.00 H new ATOM 1390 N ILE A 91 -6.589 -3.164 -3.717 1.00 0.00 N ATOM 1391 CA ILE A 91 -5.808 -2.083 -4.305 1.00 0.00 C ATOM 1392 C ILE A 91 -6.445 -1.585 -5.598 1.00 0.00 C ATOM 1393 O ILE A 91 -6.763 -0.402 -5.731 1.00 0.00 O ATOM 1394 CB ILE A 91 -4.361 -2.526 -4.596 1.00 0.00 C ATOM 1395 CG1 ILE A 91 -3.746 -3.177 -3.356 1.00 0.00 C ATOM 1396 CG2 ILE A 91 -3.525 -1.339 -5.049 1.00 0.00 C ATOM 1397 CD1 ILE A 91 -3.696 -2.261 -2.154 1.00 0.00 C ATOM 0 H ILE A 91 -6.087 -4.048 -3.629 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.791 -1.273 -3.575 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.376 -3.262 -5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.321 -4.067 -3.100 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.735 -3.507 -3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.506 -1.668 -5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.956 -0.916 -5.956 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.514 -0.582 -4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.248 -2.789 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.097 -1.382 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -4.707 -1.951 -1.891 1.00 0.00 H new ATOM 1409 N HIS A 92 -6.631 -2.496 -6.549 1.00 0.00 N ATOM 1410 CA HIS A 92 -7.232 -2.150 -7.831 1.00 0.00 C ATOM 1411 C HIS A 92 -8.373 -1.153 -7.645 1.00 0.00 C ATOM 1412 O HIS A 92 -8.658 -0.349 -8.533 1.00 0.00 O ATOM 1413 CB HIS A 92 -7.749 -3.407 -8.532 1.00 0.00 C ATOM 1414 CG HIS A 92 -8.243 -3.157 -9.923 1.00 0.00 C ATOM 1415 ND1 HIS A 92 -9.579 -3.017 -10.234 1.00 0.00 N ATOM 1416 CD2 HIS A 92 -7.570 -3.021 -11.090 1.00 0.00 C ATOM 1417 CE1 HIS A 92 -9.707 -2.808 -11.532 1.00 0.00 C ATOM 1418 NE2 HIS A 92 -8.503 -2.805 -12.075 1.00 0.00 N ATOM 0 H HIS A 92 -6.374 -3.479 -6.455 1.00 0.00 H new ATOM 0 HA HIS A 92 -6.464 -1.687 -8.450 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -6.950 -4.148 -8.567 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -8.557 -3.837 -7.940 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.499 -3.073 -11.222 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.638 -2.664 -12.060 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.299 -2.665 -13.065 1.00 0.00 H new ATOM 1427 N TYR A 93 -9.019 -1.211 -6.487 1.00 0.00 N ATOM 1428 CA TYR A 93 -10.130 -0.315 -6.185 1.00 0.00 C ATOM 1429 C TYR A 93 -9.622 1.029 -5.672 1.00 0.00 C ATOM 1430 O TYR A 93 -9.824 2.065 -6.305 1.00 0.00 O ATOM 1431 CB TYR A 93 -11.060 -0.952 -5.151 1.00 0.00 C ATOM 1432 CG TYR A 93 -12.160 -1.790 -5.760 1.00 0.00 C ATOM 1433 CD1 TYR A 93 -12.959 -1.289 -6.780 1.00 0.00 C ATOM 1434 CD2 TYR A 93 -12.399 -3.086 -5.318 1.00 0.00 C ATOM 1435 CE1 TYR A 93 -13.966 -2.052 -7.339 1.00 0.00 C ATOM 1436 CE2 TYR A 93 -13.402 -3.857 -5.872 1.00 0.00 C ATOM 1437 CZ TYR A 93 -14.184 -3.335 -6.882 1.00 0.00 C ATOM 1438 OH TYR A 93 -15.185 -4.098 -7.437 1.00 0.00 O ATOM 0 H TYR A 93 -8.793 -1.869 -5.741 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.687 -0.144 -7.106 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.470 -1.575 -4.479 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.508 -0.165 -4.544 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.790 -0.286 -7.142 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.789 -3.497 -4.527 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.579 -1.646 -8.130 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -13.573 -4.862 -5.517 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.205 -4.977 -7.003 1.00 0.00 H new ATOM 1448 N HIS A 94 -8.962 1.002 -4.519 1.00 0.00 N ATOM 1449 CA HIS A 94 -8.423 2.217 -3.918 1.00 0.00 C ATOM 1450 C HIS A 94 -7.761 3.098 -4.974 1.00 0.00 C ATOM 1451 O HIS A 94 -7.684 4.317 -4.818 1.00 0.00 O ATOM 1452 CB HIS A 94 -7.413 1.866 -2.825 1.00 0.00 C ATOM 1453 CG HIS A 94 -8.036 1.655 -1.480 1.00 0.00 C ATOM 1454 ND1 HIS A 94 -7.943 2.573 -0.455 1.00 0.00 N ATOM 1455 CD2 HIS A 94 -8.766 0.624 -0.994 1.00 0.00 C ATOM 1456 CE1 HIS A 94 -8.587 2.114 0.605 1.00 0.00 C ATOM 1457 NE2 HIS A 94 -9.095 0.933 0.303 1.00 0.00 N ATOM 0 H HIS A 94 -8.787 0.153 -3.982 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.250 2.771 -3.474 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.877 0.962 -3.114 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.675 2.665 -2.753 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.039 -0.275 -1.527 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -8.681 2.619 1.555 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -9.643 0.345 0.931 1.00 0.00 H new ATOM 1466 N GLN A 95 -7.289 2.473 -6.047 1.00 0.00 N ATOM 1467 CA GLN A 95 -6.633 3.201 -7.128 1.00 0.00 C ATOM 1468 C GLN A 95 -7.430 4.444 -7.508 1.00 0.00 C ATOM 1469 O GLN A 95 -6.858 5.495 -7.803 1.00 0.00 O ATOM 1470 CB GLN A 95 -6.463 2.297 -8.350 1.00 0.00 C ATOM 1471 CG GLN A 95 -5.276 1.351 -8.245 1.00 0.00 C ATOM 1472 CD GLN A 95 -4.935 0.695 -9.569 1.00 0.00 C ATOM 1473 OE1 GLN A 95 -5.869 -0.083 -10.102 1.00 0.00 O flip ATOM 1474 NE2 GLN A 95 -3.844 0.885 -10.107 1.00 0.00 N flip ATOM 0 H GLN A 95 -7.348 1.465 -6.192 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.650 3.515 -6.777 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.372 1.712 -8.489 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.345 2.918 -9.238 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.408 1.902 -7.882 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -5.495 0.579 -7.507 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.155 1.491 -9.662 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.630 0.436 -10.998 1.00 0.00 H new ATOM 1483 N HIS A 96 -8.753 4.319 -7.499 1.00 0.00 N ATOM 1484 CA HIS A 96 -9.629 5.433 -7.843 1.00 0.00 C ATOM 1485 C HIS A 96 -10.303 5.999 -6.597 1.00 0.00 C ATOM 1486 O HIS A 96 -9.966 7.091 -6.139 1.00 0.00 O ATOM 1487 CB HIS A 96 -10.689 4.985 -8.850 1.00 0.00 C ATOM 1488 CG HIS A 96 -10.177 4.889 -10.254 1.00 0.00 C ATOM 1489 ND1 HIS A 96 -10.361 5.884 -11.191 1.00 0.00 N ATOM 1490 CD2 HIS A 96 -9.483 3.910 -10.879 1.00 0.00 C ATOM 1491 CE1 HIS A 96 -9.804 5.520 -12.332 1.00 0.00 C ATOM 1492 NE2 HIS A 96 -9.263 4.325 -12.169 1.00 0.00 N ATOM 0 H HIS A 96 -9.242 3.457 -7.257 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.019 6.216 -8.293 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -11.079 4.013 -8.547 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.523 5.686 -8.823 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -9.162 2.975 -10.444 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -9.793 6.100 -13.243 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -8.764 3.797 -12.885 1.00 0.00 H new ATOM 1501 N ASN A 97 -11.257 5.250 -6.053 1.00 0.00 N ATOM 1502 CA ASN A 97 -11.978 5.679 -4.860 1.00 0.00 C ATOM 1503 C ASN A 97 -11.079 5.619 -3.630 1.00 0.00 C ATOM 1504 O ASN A 97 -9.899 5.282 -3.726 1.00 0.00 O ATOM 1505 CB ASN A 97 -13.215 4.803 -4.645 1.00 0.00 C ATOM 1506 CG ASN A 97 -13.853 4.373 -5.952 1.00 0.00 C ATOM 1507 OD1 ASN A 97 -14.332 5.203 -6.725 1.00 0.00 O ATOM 1508 ND2 ASN A 97 -13.862 3.068 -6.204 1.00 0.00 N ATOM 0 H ASN A 97 -11.548 4.344 -6.419 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.293 6.712 -5.007 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.936 3.919 -4.072 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.946 5.351 -4.050 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.278 2.718 -7.067 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.453 2.416 -5.534 1.00 0.00 H new ATOM 1515 N SER A 98 -11.646 5.948 -2.472 1.00 0.00 N ATOM 1516 CA SER A 98 -10.894 5.935 -1.223 1.00 0.00 C ATOM 1517 C SER A 98 -11.814 5.642 -0.040 1.00 0.00 C ATOM 1518 O SER A 98 -12.819 6.321 0.162 1.00 0.00 O ATOM 1519 CB SER A 98 -10.188 7.275 -1.014 1.00 0.00 C ATOM 1520 OG SER A 98 -11.108 8.351 -1.069 1.00 0.00 O ATOM 0 H SER A 98 -12.622 6.226 -2.374 1.00 0.00 H new ATOM 0 HA SER A 98 -10.146 5.145 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.681 7.275 -0.049 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.422 7.409 -1.777 1.00 0.00 H new ATOM 0 HG SER A 98 -11.996 8.036 -0.800 1.00 0.00 H new ATOM 1526 N ALA A 99 -11.458 4.625 0.739 1.00 0.00 N ATOM 1527 CA ALA A 99 -12.249 4.243 1.903 1.00 0.00 C ATOM 1528 C ALA A 99 -11.559 4.662 3.196 1.00 0.00 C ATOM 1529 O ALA A 99 -10.338 4.569 3.319 1.00 0.00 O ATOM 1530 CB ALA A 99 -12.501 2.742 1.898 1.00 0.00 C ATOM 0 H ALA A 99 -10.628 4.052 0.585 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.206 4.762 1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.092 2.469 2.772 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -13.043 2.467 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.548 2.213 1.925 1.00 0.00 H new ATOM 1536 N GLY A 100 -12.349 5.124 4.161 1.00 0.00 N ATOM 1537 CA GLY A 100 -11.796 5.550 5.433 1.00 0.00 C ATOM 1538 C GLY A 100 -10.738 6.626 5.273 1.00 0.00 C ATOM 1539 O GLY A 100 -10.801 7.434 4.348 1.00 0.00 O ATOM 0 H GLY A 100 -13.362 5.211 4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.599 5.925 6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.362 4.690 5.943 1.00 0.00 H new ATOM 1543 N MET A 101 -9.765 6.635 6.178 1.00 0.00 N ATOM 1544 CA MET A 101 -8.690 7.619 6.134 1.00 0.00 C ATOM 1545 C MET A 101 -7.493 7.082 5.356 1.00 0.00 C ATOM 1546 O MET A 101 -6.367 7.079 5.855 1.00 0.00 O ATOM 1547 CB MET A 101 -8.262 8.002 7.552 1.00 0.00 C ATOM 1548 CG MET A 101 -9.285 8.853 8.286 1.00 0.00 C ATOM 1549 SD MET A 101 -8.688 9.428 9.888 1.00 0.00 S ATOM 1550 CE MET A 101 -9.525 11.007 10.014 1.00 0.00 C ATOM 0 H MET A 101 -9.699 5.972 6.950 1.00 0.00 H new ATOM 0 HA MET A 101 -9.064 8.506 5.623 1.00 0.00 H new ATOM 0 HB2 MET A 101 -8.079 7.093 8.125 1.00 0.00 H new ATOM 0 HB3 MET A 101 -7.318 8.544 7.504 1.00 0.00 H new ATOM 0 HG2 MET A 101 -9.546 9.713 7.670 1.00 0.00 H new ATOM 0 HG3 MET A 101 -10.198 8.275 8.429 1.00 0.00 H new ATOM 0 HE1 MET A 101 -9.256 11.487 10.955 1.00 0.00 H new ATOM 0 HE2 MET A 101 -9.225 11.645 9.183 1.00 0.00 H new ATOM 0 HE3 MET A 101 -10.603 10.851 9.981 1.00 0.00 H new ATOM 1560 N ILE A 102 -7.743 6.627 4.133 1.00 0.00 N ATOM 1561 CA ILE A 102 -6.686 6.089 3.287 1.00 0.00 C ATOM 1562 C ILE A 102 -6.445 6.980 2.073 1.00 0.00 C ATOM 1563 O ILE A 102 -7.325 7.147 1.227 1.00 0.00 O ATOM 1564 CB ILE A 102 -7.020 4.664 2.806 1.00 0.00 C ATOM 1565 CG1 ILE A 102 -7.593 3.835 3.957 1.00 0.00 C ATOM 1566 CG2 ILE A 102 -5.781 3.996 2.231 1.00 0.00 C ATOM 1567 CD1 ILE A 102 -6.556 3.416 4.976 1.00 0.00 C ATOM 0 H ILE A 102 -8.669 6.620 3.706 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.782 6.056 3.895 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.772 4.728 2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.370 4.412 4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -8.071 2.944 3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.033 2.990 1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.412 4.579 1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.009 3.940 2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -7.034 2.832 5.762 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.791 2.811 4.489 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.095 4.302 5.412 1.00 0.00 H new ATOM 1579 N THR A 103 -5.247 7.549 1.991 1.00 0.00 N ATOM 1580 CA THR A 103 -4.890 8.423 0.881 1.00 0.00 C ATOM 1581 C THR A 103 -5.243 7.783 -0.457 1.00 0.00 C ATOM 1582 O THR A 103 -5.279 6.559 -0.579 1.00 0.00 O ATOM 1583 CB THR A 103 -3.388 8.762 0.894 1.00 0.00 C ATOM 1584 OG1 THR A 103 -2.980 9.129 2.218 1.00 0.00 O ATOM 1585 CG2 THR A 103 -3.081 9.899 -0.070 1.00 0.00 C ATOM 0 H THR A 103 -4.507 7.420 2.681 1.00 0.00 H new ATOM 0 HA THR A 103 -5.463 9.342 1.004 1.00 0.00 H new ATOM 0 HB THR A 103 -2.836 7.878 0.576 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.023 9.341 2.218 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.014 10.121 -0.043 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.366 9.606 -1.081 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.643 10.786 0.223 1.00 0.00 H new ATOM 1593 N ARG A 104 -5.501 8.618 -1.458 1.00 0.00 N ATOM 1594 CA ARG A 104 -5.851 8.134 -2.787 1.00 0.00 C ATOM 1595 C ARG A 104 -4.604 7.706 -3.555 1.00 0.00 C ATOM 1596 O ARG A 104 -3.777 8.537 -3.931 1.00 0.00 O ATOM 1597 CB ARG A 104 -6.598 9.217 -3.568 1.00 0.00 C ATOM 1598 CG ARG A 104 -8.105 9.178 -3.375 1.00 0.00 C ATOM 1599 CD ARG A 104 -8.828 9.919 -4.489 1.00 0.00 C ATOM 1600 NE ARG A 104 -10.161 10.356 -4.080 1.00 0.00 N ATOM 1601 CZ ARG A 104 -10.377 11.313 -3.185 1.00 0.00 C ATOM 1602 NH1 ARG A 104 -9.355 11.930 -2.608 1.00 0.00 N ATOM 1603 NH2 ARG A 104 -11.619 11.655 -2.865 1.00 0.00 N ATOM 0 H ARG A 104 -5.474 9.634 -1.373 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.501 7.267 -2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.226 10.195 -3.262 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.373 9.108 -4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.443 8.142 -3.347 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.362 9.623 -2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.239 10.785 -4.790 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.911 9.271 -5.361 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.969 9.901 -4.505 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.399 11.670 -2.851 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.525 12.665 -1.921 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.408 11.183 -3.307 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.785 12.390 -2.178 1.00 0.00 H new ATOM 1617 N LEU A 105 -4.476 6.403 -3.786 1.00 0.00 N ATOM 1618 CA LEU A 105 -3.331 5.864 -4.510 1.00 0.00 C ATOM 1619 C LEU A 105 -3.133 6.590 -5.836 1.00 0.00 C ATOM 1620 O LEU A 105 -4.000 6.556 -6.709 1.00 0.00 O ATOM 1621 CB LEU A 105 -3.518 4.366 -4.757 1.00 0.00 C ATOM 1622 CG LEU A 105 -3.743 3.503 -3.516 1.00 0.00 C ATOM 1623 CD1 LEU A 105 -3.321 2.067 -3.781 1.00 0.00 C ATOM 1624 CD2 LEU A 105 -2.985 4.072 -2.326 1.00 0.00 C ATOM 0 H LEU A 105 -5.151 5.701 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.442 6.017 -3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.368 4.232 -5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.638 3.992 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.807 3.510 -3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.488 1.468 -2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.908 1.661 -4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.263 2.041 -4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.157 3.445 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.919 4.096 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.335 5.084 -2.121 1.00 0.00 H new ATOM 1636 N ARG A 106 -1.985 7.244 -5.982 1.00 0.00 N ATOM 1637 CA ARG A 106 -1.673 7.978 -7.202 1.00 0.00 C ATOM 1638 C ARG A 106 -0.959 7.080 -8.208 1.00 0.00 C ATOM 1639 O ARG A 106 -1.481 6.804 -9.290 1.00 0.00 O ATOM 1640 CB ARG A 106 -0.804 9.195 -6.882 1.00 0.00 C ATOM 1641 CG ARG A 106 -0.292 9.919 -8.118 1.00 0.00 C ATOM 1642 CD ARG A 106 0.919 10.779 -7.797 1.00 0.00 C ATOM 1643 NE ARG A 106 1.090 11.867 -8.757 1.00 0.00 N ATOM 1644 CZ ARG A 106 0.423 13.013 -8.695 1.00 0.00 C ATOM 1645 NH1 ARG A 106 -0.454 13.222 -7.723 1.00 0.00 N ATOM 1646 NH2 ARG A 106 0.632 13.955 -9.606 1.00 0.00 N ATOM 0 H ARG A 106 -1.256 7.280 -5.270 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.611 8.316 -7.643 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.380 9.893 -6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.047 8.876 -6.280 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.029 9.191 -8.885 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.085 10.544 -8.530 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.813 11.194 -6.795 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.814 10.157 -7.792 1.00 0.00 H new ATOM 0 HE ARG A 106 1.759 11.739 -9.517 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.618 12.501 -7.020 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.965 14.104 -7.678 1.00 0.00 H new ATOM 0 HH21 ARG A 106 1.306 13.799 -10.355 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.119 14.835 -9.557 1.00 0.00 H new ATOM 1660 N HIS A 107 0.237 6.627 -7.846 1.00 0.00 N ATOM 1661 CA HIS A 107 1.023 5.760 -8.717 1.00 0.00 C ATOM 1662 C HIS A 107 1.764 4.702 -7.904 1.00 0.00 C ATOM 1663 O HIS A 107 2.174 4.933 -6.767 1.00 0.00 O ATOM 1664 CB HIS A 107 2.018 6.587 -9.530 1.00 0.00 C ATOM 1665 CG HIS A 107 1.422 7.202 -10.760 1.00 0.00 C ATOM 1666 ND1 HIS A 107 1.128 8.490 -11.051 1.00 0.00 N flip ATOM 1667 CD2 HIS A 107 1.057 6.467 -11.867 1.00 0.00 C flip ATOM 1668 CE1 HIS A 107 0.597 8.510 -12.317 1.00 0.00 C flip ATOM 1669 NE2 HIS A 107 0.564 7.277 -12.787 1.00 0.00 N flip ATOM 0 H HIS A 107 0.683 6.846 -6.955 1.00 0.00 H new ATOM 0 HA HIS A 107 0.340 5.255 -9.400 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.423 7.378 -8.898 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.855 5.951 -9.820 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.158 5.396 -11.967 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.261 9.391 -12.843 1.00 0.00 H new ATOM 0 HE2 HIS A 107 0.217 6.997 -13.704 1.00 0.00 H new ATOM 1678 N PRO A 108 1.942 3.514 -8.502 1.00 0.00 N ATOM 1679 CA PRO A 108 2.635 2.398 -7.852 1.00 0.00 C ATOM 1680 C PRO A 108 4.131 2.655 -7.697 1.00 0.00 C ATOM 1681 O PRO A 108 4.751 3.300 -8.543 1.00 0.00 O ATOM 1682 CB PRO A 108 2.390 1.226 -8.804 1.00 0.00 C ATOM 1683 CG PRO A 108 2.163 1.858 -10.133 1.00 0.00 C ATOM 1684 CD PRO A 108 1.481 3.170 -9.857 1.00 0.00 C ATOM 0 HA PRO A 108 2.270 2.226 -6.839 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.245 0.550 -8.828 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.527 0.637 -8.493 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.106 2.011 -10.658 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.545 1.222 -10.767 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.765 3.931 -10.584 1.00 0.00 H new ATOM 0 HD3 PRO A 108 0.396 3.076 -9.901 1.00 0.00 H new ATOM 1692 N VAL A 109 4.705 2.147 -6.612 1.00 0.00 N ATOM 1693 CA VAL A 109 6.129 2.320 -6.348 1.00 0.00 C ATOM 1694 C VAL A 109 6.806 0.979 -6.089 1.00 0.00 C ATOM 1695 O VAL A 109 6.239 0.099 -5.442 1.00 0.00 O ATOM 1696 CB VAL A 109 6.367 3.244 -5.140 1.00 0.00 C ATOM 1697 CG1 VAL A 109 7.841 3.265 -4.764 1.00 0.00 C ATOM 1698 CG2 VAL A 109 5.865 4.649 -5.437 1.00 0.00 C ATOM 0 H VAL A 109 4.206 1.612 -5.901 1.00 0.00 H new ATOM 0 HA VAL A 109 6.563 2.777 -7.237 1.00 0.00 H new ATOM 0 HB VAL A 109 5.806 2.853 -4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.989 3.924 -3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.165 2.257 -4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.427 3.630 -5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 109 6.041 5.289 -4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.397 5.050 -6.300 1.00 0.00 H new ATOM 0 HG23 VAL A 109 4.797 4.616 -5.652 1.00 0.00 H new ATOM 1708 N SER A 110 8.025 0.831 -6.600 1.00 0.00 N ATOM 1709 CA SER A 110 8.781 -0.405 -6.427 1.00 0.00 C ATOM 1710 C SER A 110 10.056 -0.154 -5.629 1.00 0.00 C ATOM 1711 O SER A 110 10.975 0.512 -6.103 1.00 0.00 O ATOM 1712 CB SER A 110 9.127 -1.010 -7.789 1.00 0.00 C ATOM 1713 OG SER A 110 7.956 -1.299 -8.532 1.00 0.00 O ATOM 0 H SER A 110 8.510 1.551 -7.136 1.00 0.00 H new ATOM 0 HA SER A 110 8.160 -1.109 -5.873 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.755 -0.317 -8.349 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.706 -1.922 -7.648 1.00 0.00 H new ATOM 0 HG SER A 110 7.271 -1.665 -7.934 1.00 0.00 H new