USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 939 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 95 HIS : no HD1:sc= -0.503 X(o=-0.38,f=0.1) USER MOD Set 1.2: A 99 LYS NZ :NH3+ -179:sc= 0.121 (180deg=0.121) USER MOD Set 2.1: A 60 ASN : amide:sc= -1.48 K(o=-2.3,f=0.037!) USER MOD Set 2.2: A 72 ASN : amide:sc= -0.778! C(o=-2.3!,f=-2.1!) USER MOD Set 3.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 61 MET CE :methyl 169:sc= 0 (180deg=0) USER MOD Set 4.1: A 7 ASN : amide:sc= -0.0998 K(o=-0.58,f=-1.3) USER MOD Set 4.2: A 11 ASN : amide:sc= 0.359 X(o=-0.58,f=-0.84) USER MOD Set 4.3: A 80 HIS : no HE2:sc= -0.835 K(o=-0.58,f=-6.3!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 5 MET CE :methyl -164:sc= 0 (180deg=-0.0906) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.704) USER MOD Single : A 20 LYS NZ :NH3+ -146:sc= 1.24 (180deg=0.0163) USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0936) USER MOD Single : A 23 MET CE :methyl -163:sc= -0.103 (180deg=-0.981) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0315 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 165:sc= -0.0875 USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= 1.1 (180deg=0.565) USER MOD Single : A 45 ASN : amide:sc= -0.118 K(o=-0.12,f=-0.92) USER MOD Single : A 48 THR OG1 : rot -66:sc= 0.447 USER MOD Single : A 53 MET CE :methyl -136:sc= -0.0287 (180deg=-0.564) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.631 USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= 1.32 (180deg=1.14) USER MOD Single : A 69 HIS : no HD1:sc=-0.00939 K(o=-0.0094,f=-2.5) USER MOD Single : A 70 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-0.56) USER MOD Single : A 74 MET CE :methyl -127:sc= -0.367 (180deg=-1.71) USER MOD Single : A 78 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0145) USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00854) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 86 MET CE :methyl -167:sc= -0.793 (180deg=-0.949) USER MOD Single : A 88 GLN : amide:sc= -0.0746 X(o=-0.075,f=-0.38) USER MOD Single : A 89 GLN : amide:sc= -0.306 K(o=-0.31,f=-2.7!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -160:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -1.52 K(o=-1.5,f=-0.19) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 72:sc= 1.27 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc=-0.00611 (180deg=-0.00611) USER MOD Single : A 123 HIS : no HE2:sc= -0.128 X(o=-0.13,f=-0.37) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 12 N GLN A 2 12.148 -10.209 2.343 1.00 0.00 N ATOM 13 CA GLN A 2 10.859 -10.740 2.809 1.00 0.00 C ATOM 14 C GLN A 2 10.483 -10.253 4.206 1.00 0.00 C ATOM 15 O GLN A 2 9.530 -9.502 4.335 1.00 0.00 O ATOM 16 CB GLN A 2 10.753 -12.274 2.713 1.00 0.00 C ATOM 17 CG GLN A 2 10.380 -12.775 1.310 1.00 0.00 C ATOM 18 CD GLN A 2 9.412 -13.957 1.398 1.00 0.00 C ATOM 19 OE1 GLN A 2 8.312 -13.848 1.936 1.00 0.00 O ATOM 20 NE2 GLN A 2 9.788 -15.125 0.916 1.00 0.00 N ATOM 0 HA GLN A 2 10.128 -10.330 2.112 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.705 -12.715 3.007 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.006 -12.624 3.426 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.924 -11.966 0.739 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.281 -13.075 0.774 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.699 -15.223 0.468 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.168 -15.931 0.991 1.00 0.00 H new ATOM 29 N GLU A 3 11.223 -10.661 5.227 1.00 0.00 N ATOM 30 CA GLU A 3 10.976 -10.562 6.653 1.00 0.00 C ATOM 31 C GLU A 3 10.397 -9.198 7.005 1.00 0.00 C ATOM 32 O GLU A 3 9.210 -9.059 7.312 1.00 0.00 O ATOM 33 CB GLU A 3 12.334 -10.853 7.310 1.00 0.00 C ATOM 34 CG GLU A 3 12.312 -11.168 8.804 1.00 0.00 C ATOM 35 CD GLU A 3 13.723 -11.507 9.292 1.00 0.00 C ATOM 36 OE1 GLU A 3 14.361 -12.453 8.771 1.00 0.00 O ATOM 37 OE2 GLU A 3 14.229 -10.784 10.180 1.00 0.00 O ATOM 0 H GLU A 3 12.115 -11.123 5.051 1.00 0.00 H new ATOM 0 HA GLU A 3 10.229 -11.269 7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.792 -11.695 6.790 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.982 -9.991 7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.923 -10.314 9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.641 -12.005 8.997 1.00 0.00 H new ATOM 44 N VAL A 4 11.233 -8.172 6.879 1.00 0.00 N ATOM 45 CA VAL A 4 10.862 -6.817 7.265 1.00 0.00 C ATOM 46 C VAL A 4 9.745 -6.261 6.380 1.00 0.00 C ATOM 47 O VAL A 4 8.864 -5.550 6.851 1.00 0.00 O ATOM 48 CB VAL A 4 12.132 -5.965 7.290 1.00 0.00 C ATOM 49 CG1 VAL A 4 12.840 -5.866 5.939 1.00 0.00 C ATOM 50 CG2 VAL A 4 11.883 -4.580 7.893 1.00 0.00 C ATOM 0 H VAL A 4 12.180 -8.256 6.509 1.00 0.00 H new ATOM 0 HA VAL A 4 10.432 -6.805 8.267 1.00 0.00 H new ATOM 0 HB VAL A 4 12.819 -6.500 7.946 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.731 -5.246 6.040 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.128 -6.863 5.605 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.167 -5.419 5.207 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.812 -4.010 7.891 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.133 -4.055 7.301 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.526 -4.688 8.917 1.00 0.00 H new ATOM 60 N MET A 5 9.766 -6.627 5.102 1.00 0.00 N ATOM 61 CA MET A 5 8.785 -6.262 4.084 1.00 0.00 C ATOM 62 C MET A 5 7.379 -6.752 4.464 1.00 0.00 C ATOM 63 O MET A 5 6.442 -5.955 4.450 1.00 0.00 O ATOM 64 CB MET A 5 9.263 -6.803 2.727 1.00 0.00 C ATOM 65 CG MET A 5 8.895 -5.944 1.516 1.00 0.00 C ATOM 66 SD MET A 5 7.283 -6.290 0.762 1.00 0.00 S ATOM 67 CE MET A 5 6.275 -4.858 1.206 1.00 0.00 C ATOM 0 H MET A 5 10.508 -7.218 4.728 1.00 0.00 H new ATOM 0 HA MET A 5 8.705 -5.177 4.011 1.00 0.00 H new ATOM 0 HB2 MET A 5 10.347 -6.912 2.759 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.847 -7.800 2.585 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.916 -4.897 1.817 1.00 0.00 H new ATOM 0 HG3 MET A 5 9.665 -6.073 0.756 1.00 0.00 H new ATOM 0 HE1 MET A 5 5.222 -5.091 1.048 1.00 0.00 H new ATOM 0 HE2 MET A 5 6.438 -4.609 2.255 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.556 -4.008 0.583 1.00 0.00 H new ATOM 77 N LYS A 6 7.230 -8.014 4.881 1.00 0.00 N ATOM 78 CA LYS A 6 5.966 -8.576 5.354 1.00 0.00 C ATOM 79 C LYS A 6 5.443 -7.760 6.530 1.00 0.00 C ATOM 80 O LYS A 6 4.253 -7.439 6.556 1.00 0.00 O ATOM 81 CB LYS A 6 6.159 -10.060 5.717 1.00 0.00 C ATOM 82 CG LYS A 6 4.899 -10.719 6.314 1.00 0.00 C ATOM 83 CD LYS A 6 5.182 -12.188 6.657 1.00 0.00 C ATOM 84 CE LYS A 6 4.048 -12.898 7.412 1.00 0.00 C ATOM 85 NZ LYS A 6 2.786 -12.993 6.647 1.00 0.00 N ATOM 0 H LYS A 6 8.000 -8.683 4.898 1.00 0.00 H new ATOM 0 HA LYS A 6 5.218 -8.525 4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.457 -10.608 4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.977 -10.147 6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.589 -10.182 7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.075 -10.656 5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.382 -12.731 5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.089 -12.239 7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.376 -13.903 7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.857 -12.367 8.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.069 -13.483 7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.449 -12.037 6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.951 -13.526 5.769 1.00 0.00 H new ATOM 99 N ASN A 7 6.307 -7.429 7.494 1.00 0.00 N ATOM 100 CA ASN A 7 5.920 -6.644 8.663 1.00 0.00 C ATOM 101 C ASN A 7 5.577 -5.207 8.291 1.00 0.00 C ATOM 102 O ASN A 7 4.667 -4.636 8.877 1.00 0.00 O ATOM 103 CB ASN A 7 7.064 -6.602 9.682 1.00 0.00 C ATOM 104 CG ASN A 7 6.575 -5.943 10.967 1.00 0.00 C ATOM 105 OD1 ASN A 7 5.521 -6.300 11.490 1.00 0.00 O ATOM 106 ND2 ASN A 7 7.282 -4.951 11.478 1.00 0.00 N ATOM 0 H ASN A 7 7.291 -7.698 7.484 1.00 0.00 H new ATOM 0 HA ASN A 7 5.041 -7.128 9.088 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.417 -7.612 9.890 1.00 0.00 H new ATOM 0 HB3 ASN A 7 7.909 -6.047 9.274 1.00 0.00 H new ATOM 0 HD21 ASN A 7 6.955 -4.471 12.317 1.00 0.00 H new ATOM 0 HD22 ASN A 7 8.155 -4.665 11.034 1.00 0.00 H new ATOM 113 N LEU A 8 6.280 -4.604 7.335 1.00 0.00 N ATOM 114 CA LEU A 8 6.024 -3.257 6.828 1.00 0.00 C ATOM 115 C LEU A 8 4.652 -3.192 6.167 1.00 0.00 C ATOM 116 O LEU A 8 3.872 -2.280 6.444 1.00 0.00 O ATOM 117 CB LEU A 8 7.118 -2.878 5.816 1.00 0.00 C ATOM 118 CG LEU A 8 8.316 -2.174 6.464 1.00 0.00 C ATOM 119 CD1 LEU A 8 9.583 -2.224 5.610 1.00 0.00 C ATOM 120 CD2 LEU A 8 7.971 -0.705 6.686 1.00 0.00 C ATOM 0 H LEU A 8 7.071 -5.055 6.876 1.00 0.00 H new ATOM 0 HA LEU A 8 6.039 -2.552 7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.464 -3.779 5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.690 -2.227 5.053 1.00 0.00 H new ATOM 0 HG LEU A 8 8.516 -2.700 7.397 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.391 -1.707 6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.866 -3.263 5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.396 -1.738 4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.819 -0.198 7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.744 -0.236 5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.103 -0.630 7.341 1.00 0.00 H new ATOM 132 N SER A 9 4.351 -4.178 5.323 1.00 0.00 N ATOM 133 CA SER A 9 3.035 -4.420 4.748 1.00 0.00 C ATOM 134 C SER A 9 1.993 -4.505 5.878 1.00 0.00 C ATOM 135 O SER A 9 0.956 -3.848 5.833 1.00 0.00 O ATOM 136 CB SER A 9 3.173 -5.662 3.848 1.00 0.00 C ATOM 137 OG SER A 9 1.959 -6.285 3.486 1.00 0.00 O ATOM 0 H SER A 9 5.047 -4.855 5.011 1.00 0.00 H new ATOM 0 HA SER A 9 2.667 -3.612 4.115 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.699 -5.374 2.938 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.799 -6.393 4.360 1.00 0.00 H new ATOM 0 HG SER A 9 2.146 -7.060 2.916 1.00 0.00 H new ATOM 143 N LEU A 10 2.296 -5.224 6.959 1.00 0.00 N ATOM 144 CA LEU A 10 1.363 -5.490 8.035 1.00 0.00 C ATOM 145 C LEU A 10 1.114 -4.245 8.866 1.00 0.00 C ATOM 146 O LEU A 10 0.014 -3.994 9.361 1.00 0.00 O ATOM 147 CB LEU A 10 1.956 -6.601 8.916 1.00 0.00 C ATOM 148 CG LEU A 10 0.904 -7.167 9.867 1.00 0.00 C ATOM 149 CD1 LEU A 10 -0.052 -8.095 9.113 1.00 0.00 C ATOM 150 CD2 LEU A 10 1.560 -7.854 11.062 1.00 0.00 C ATOM 0 H LEU A 10 3.215 -5.642 7.107 1.00 0.00 H new ATOM 0 HA LEU A 10 0.406 -5.801 7.617 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.348 -7.399 8.286 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.795 -6.206 9.489 1.00 0.00 H new ATOM 0 HG LEU A 10 0.311 -6.344 10.266 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.796 -8.491 9.804 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.552 -7.537 8.322 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.511 -8.919 8.675 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.789 -8.248 11.724 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.190 -8.672 10.711 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.171 -7.133 11.606 1.00 0.00 H new ATOM 162 N ASN A 11 2.187 -3.493 9.066 1.00 0.00 N ATOM 163 CA ASN A 11 2.191 -2.329 9.921 1.00 0.00 C ATOM 164 C ASN A 11 1.486 -1.177 9.246 1.00 0.00 C ATOM 165 O ASN A 11 0.823 -0.380 9.896 1.00 0.00 O ATOM 166 CB ASN A 11 3.609 -1.894 10.264 1.00 0.00 C ATOM 167 CG ASN A 11 4.021 -2.475 11.596 1.00 0.00 C ATOM 168 OD1 ASN A 11 4.148 -1.770 12.594 1.00 0.00 O ATOM 169 ND2 ASN A 11 4.195 -3.777 11.646 1.00 0.00 N ATOM 0 H ASN A 11 3.089 -3.683 8.630 1.00 0.00 H new ATOM 0 HA ASN A 11 1.670 -2.603 10.839 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.297 -2.224 9.486 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.666 -0.806 10.300 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.442 -4.225 12.529 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.083 -4.339 10.802 1.00 0.00 H new ATOM 176 N PHE A 12 1.631 -1.088 7.929 1.00 0.00 N ATOM 177 CA PHE A 12 0.837 -0.194 7.121 1.00 0.00 C ATOM 178 C PHE A 12 -0.644 -0.511 7.355 1.00 0.00 C ATOM 179 O PHE A 12 -1.408 0.396 7.666 1.00 0.00 O ATOM 180 CB PHE A 12 1.338 -0.317 5.683 1.00 0.00 C ATOM 181 CG PHE A 12 0.549 0.373 4.583 1.00 0.00 C ATOM 182 CD1 PHE A 12 -0.715 -0.110 4.195 1.00 0.00 C ATOM 183 CD2 PHE A 12 1.118 1.460 3.888 1.00 0.00 C ATOM 184 CE1 PHE A 12 -1.422 0.520 3.158 1.00 0.00 C ATOM 185 CE2 PHE A 12 0.405 2.098 2.860 1.00 0.00 C ATOM 186 CZ PHE A 12 -0.868 1.632 2.501 1.00 0.00 C ATOM 0 H PHE A 12 2.306 -1.638 7.398 1.00 0.00 H new ATOM 0 HA PHE A 12 0.939 0.858 7.386 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.357 0.068 5.652 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.390 -1.378 5.439 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.142 -0.967 4.696 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.108 1.804 4.148 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.393 0.149 2.865 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.836 2.945 2.347 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.423 2.128 1.719 1.00 0.00 H new ATOM 196 N GLY A 13 -1.027 -1.791 7.353 1.00 0.00 N ATOM 197 CA GLY A 13 -2.368 -2.255 7.696 1.00 0.00 C ATOM 198 C GLY A 13 -2.789 -2.113 9.166 1.00 0.00 C ATOM 199 O GLY A 13 -3.817 -2.690 9.530 1.00 0.00 O ATOM 0 H GLY A 13 -0.393 -2.551 7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.085 -1.710 7.082 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.446 -3.306 7.419 1.00 0.00 H new ATOM 203 N LYS A 14 -2.048 -1.412 10.038 1.00 0.00 N ATOM 204 CA LYS A 14 -2.394 -1.320 11.461 1.00 0.00 C ATOM 205 C LYS A 14 -3.766 -0.688 11.663 1.00 0.00 C ATOM 206 O LYS A 14 -4.630 -1.342 12.239 1.00 0.00 O ATOM 207 CB LYS A 14 -1.307 -0.597 12.269 1.00 0.00 C ATOM 208 CG LYS A 14 -0.114 -1.504 12.608 1.00 0.00 C ATOM 209 CD LYS A 14 -0.056 -1.979 14.063 1.00 0.00 C ATOM 210 CE LYS A 14 -0.774 -3.300 14.374 1.00 0.00 C ATOM 211 NZ LYS A 14 -2.246 -3.172 14.524 1.00 0.00 N ATOM 0 H LYS A 14 -1.204 -0.900 9.780 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.448 -2.338 11.846 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.953 0.265 11.703 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.741 -0.215 13.193 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.145 -2.378 11.957 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.807 -0.968 12.379 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.991 -2.083 14.348 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.483 -1.200 14.695 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.562 -4.012 13.577 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.361 -3.717 15.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.566 -3.760 15.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.491 -2.178 14.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.713 -3.488 13.650 1.00 0.00 H new ATOM 225 N ALA A 15 -3.992 0.536 11.197 1.00 0.00 N ATOM 226 CA ALA A 15 -5.241 1.268 11.386 1.00 0.00 C ATOM 227 C ALA A 15 -6.381 0.768 10.480 1.00 0.00 C ATOM 228 O ALA A 15 -7.294 1.542 10.200 1.00 0.00 O ATOM 229 CB ALA A 15 -4.978 2.766 11.171 1.00 0.00 C ATOM 0 H ALA A 15 -3.296 1.059 10.665 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.581 1.091 12.406 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.905 3.322 11.310 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.236 3.112 11.891 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.606 2.929 10.160 1.00 0.00 H new ATOM 235 N LEU A 16 -6.357 -0.473 9.970 1.00 0.00 N ATOM 236 CA LEU A 16 -7.316 -0.940 8.966 1.00 0.00 C ATOM 237 C LEU A 16 -8.745 -0.764 9.455 1.00 0.00 C ATOM 238 O LEU A 16 -9.548 -0.175 8.738 1.00 0.00 O ATOM 239 CB LEU A 16 -7.067 -2.413 8.582 1.00 0.00 C ATOM 240 CG LEU A 16 -8.066 -2.899 7.504 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.677 -2.416 6.104 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.184 -4.420 7.489 1.00 0.00 C ATOM 0 H LEU A 16 -5.672 -1.177 10.244 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.171 -0.329 8.075 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.048 -2.525 8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.155 -3.040 9.469 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.031 -2.468 7.771 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.405 -2.780 5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.661 -1.326 6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.688 -2.798 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.894 -4.722 6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.209 -4.858 7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.533 -4.767 8.461 1.00 0.00 H new ATOM 254 N ASP A 17 -9.078 -1.282 10.637 1.00 0.00 N ATOM 255 CA ASP A 17 -10.466 -1.267 11.106 1.00 0.00 C ATOM 256 C ASP A 17 -10.939 0.148 11.419 1.00 0.00 C ATOM 257 O ASP A 17 -12.110 0.491 11.275 1.00 0.00 O ATOM 258 CB ASP A 17 -10.625 -2.131 12.354 1.00 0.00 C ATOM 259 CG ASP A 17 -12.008 -2.793 12.428 1.00 0.00 C ATOM 260 OD1 ASP A 17 -12.772 -2.800 11.440 1.00 0.00 O ATOM 261 OD2 ASP A 17 -12.279 -3.450 13.458 1.00 0.00 O ATOM 0 H ASP A 17 -8.415 -1.713 11.282 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.078 -1.671 10.299 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.854 -2.902 12.361 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.470 -1.517 13.241 1.00 0.00 H new ATOM 266 N GLU A 18 -9.993 1.001 11.793 1.00 0.00 N ATOM 267 CA GLU A 18 -10.257 2.420 11.928 1.00 0.00 C ATOM 268 C GLU A 18 -10.619 2.996 10.558 1.00 0.00 C ATOM 269 O GLU A 18 -11.725 3.487 10.377 1.00 0.00 O ATOM 270 CB GLU A 18 -9.102 3.177 12.583 1.00 0.00 C ATOM 271 CG GLU A 18 -8.614 2.528 13.887 1.00 0.00 C ATOM 272 CD GLU A 18 -8.186 3.598 14.881 1.00 0.00 C ATOM 273 OE1 GLU A 18 -9.063 4.223 15.517 1.00 0.00 O ATOM 274 OE2 GLU A 18 -6.979 3.935 14.895 1.00 0.00 O ATOM 0 H GLU A 18 -9.034 0.729 12.008 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.103 2.549 12.604 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.270 3.236 11.881 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.417 4.200 12.790 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.409 1.919 14.318 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.778 1.860 13.678 1.00 0.00 H new ATOM 281 N CYS A 19 -9.746 2.888 9.558 1.00 0.00 N ATOM 282 CA CYS A 19 -10.030 3.346 8.200 1.00 0.00 C ATOM 283 C CYS A 19 -11.275 2.683 7.591 1.00 0.00 C ATOM 284 O CYS A 19 -11.924 3.281 6.733 1.00 0.00 O ATOM 285 CB CYS A 19 -8.787 3.123 7.335 1.00 0.00 C ATOM 286 SG CYS A 19 -7.551 4.423 7.519 1.00 0.00 S ATOM 0 H CYS A 19 -8.818 2.479 9.668 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.264 4.410 8.238 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.338 2.164 7.595 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.087 3.061 6.289 1.00 0.00 H new ATOM 291 N LYS A 20 -11.650 1.478 8.040 1.00 0.00 N ATOM 292 CA LYS A 20 -12.901 0.838 7.702 1.00 0.00 C ATOM 293 C LYS A 20 -14.043 1.673 8.255 1.00 0.00 C ATOM 294 O LYS A 20 -14.880 2.100 7.472 1.00 0.00 O ATOM 295 CB LYS A 20 -12.940 -0.593 8.253 1.00 0.00 C ATOM 296 CG LYS A 20 -12.285 -1.649 7.358 1.00 0.00 C ATOM 297 CD LYS A 20 -12.166 -3.056 7.965 1.00 0.00 C ATOM 298 CE LYS A 20 -13.467 -3.844 8.172 1.00 0.00 C ATOM 299 NZ LYS A 20 -14.331 -3.375 9.276 1.00 0.00 N ATOM 0 H LYS A 20 -11.068 0.918 8.663 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.001 0.771 6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.447 -0.606 9.225 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.980 -0.874 8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.857 -1.720 6.433 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.287 -1.303 7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.512 -3.646 7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.668 -2.966 8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.041 -3.811 7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.213 -4.888 8.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.811 -4.189 9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.750 -2.893 9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.041 -2.713 8.904 1.00 0.00 H new ATOM 313 N LYS A 21 -14.125 1.904 9.566 1.00 0.00 N ATOM 314 CA LYS A 21 -15.269 2.571 10.170 1.00 0.00 C ATOM 315 C LYS A 21 -15.360 4.009 9.699 1.00 0.00 C ATOM 316 O LYS A 21 -16.427 4.482 9.335 1.00 0.00 O ATOM 317 CB LYS A 21 -15.263 2.325 11.672 1.00 0.00 C ATOM 318 CG LYS A 21 -15.069 3.511 12.608 1.00 0.00 C ATOM 319 CD LYS A 21 -13.621 3.566 13.073 1.00 0.00 C ATOM 320 CE LYS A 21 -13.347 4.430 14.312 1.00 0.00 C ATOM 321 NZ LYS A 21 -13.190 5.867 14.015 1.00 0.00 N ATOM 0 H LYS A 21 -13.402 1.634 10.233 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.214 2.145 9.832 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.209 1.850 11.933 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.474 1.603 11.885 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.332 4.437 12.097 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.734 3.421 13.467 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.288 2.549 13.282 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.010 3.939 12.251 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.166 4.303 15.020 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.443 4.069 14.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.126 6.401 14.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.323 6.014 13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.010 6.200 13.469 1.00 0.00 H new ATOM 335 N GLU A 22 -14.207 4.667 9.696 1.00 0.00 N ATOM 336 CA GLU A 22 -14.030 6.072 9.320 1.00 0.00 C ATOM 337 C GLU A 22 -14.696 6.420 7.993 1.00 0.00 C ATOM 338 O GLU A 22 -15.170 7.545 7.835 1.00 0.00 O ATOM 339 CB GLU A 22 -12.533 6.381 9.195 1.00 0.00 C ATOM 340 CG GLU A 22 -11.857 6.536 10.561 1.00 0.00 C ATOM 341 CD GLU A 22 -11.785 7.987 11.045 1.00 0.00 C ATOM 342 OE1 GLU A 22 -12.817 8.692 11.079 1.00 0.00 O ATOM 343 OE2 GLU A 22 -10.684 8.359 11.518 1.00 0.00 O ATOM 0 H GLU A 22 -13.330 4.221 9.966 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.501 6.668 10.102 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.044 5.581 8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.400 7.297 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.401 5.943 11.296 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.847 6.129 10.506 1.00 0.00 H new ATOM 350 N MET A 23 -14.690 5.497 7.029 1.00 0.00 N ATOM 351 CA MET A 23 -15.199 5.709 5.684 1.00 0.00 C ATOM 352 C MET A 23 -16.348 4.756 5.328 1.00 0.00 C ATOM 353 O MET A 23 -16.917 4.876 4.245 1.00 0.00 O ATOM 354 CB MET A 23 -14.024 5.616 4.704 1.00 0.00 C ATOM 355 CG MET A 23 -12.880 6.583 5.056 1.00 0.00 C ATOM 356 SD MET A 23 -12.006 7.319 3.656 1.00 0.00 S ATOM 357 CE MET A 23 -11.280 5.812 2.986 1.00 0.00 C ATOM 0 H MET A 23 -14.319 4.558 7.172 1.00 0.00 H new ATOM 0 HA MET A 23 -15.641 6.703 5.619 1.00 0.00 H new ATOM 0 HB2 MET A 23 -13.642 4.595 4.697 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.379 5.831 3.696 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.287 7.388 5.669 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.156 6.049 5.671 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.468 6.070 2.307 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.891 5.202 3.801 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.041 5.251 2.444 1.00 0.00 H new ATOM 367 N THR A 24 -16.729 3.862 6.238 1.00 0.00 N ATOM 368 CA THR A 24 -17.507 2.653 6.002 1.00 0.00 C ATOM 369 C THR A 24 -16.980 1.863 4.797 1.00 0.00 C ATOM 370 O THR A 24 -17.516 1.959 3.688 1.00 0.00 O ATOM 371 CB THR A 24 -19.011 2.947 5.961 1.00 0.00 C ATOM 372 OG1 THR A 24 -19.392 3.647 7.133 1.00 0.00 O ATOM 373 CG2 THR A 24 -19.780 1.629 5.880 1.00 0.00 C ATOM 0 H THR A 24 -16.486 3.972 7.222 1.00 0.00 H new ATOM 0 HA THR A 24 -17.371 1.988 6.855 1.00 0.00 H new ATOM 0 HB THR A 24 -19.239 3.558 5.088 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.353 3.835 7.104 1.00 0.00 H new ATOM 0 HG21 THR A 24 -20.850 1.833 5.851 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.488 1.092 4.977 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.551 1.020 6.754 1.00 0.00 H new ATOM 381 N LEU A 25 -15.943 1.054 5.031 1.00 0.00 N ATOM 382 CA LEU A 25 -15.379 0.142 4.039 1.00 0.00 C ATOM 383 C LEU A 25 -15.668 -1.294 4.466 1.00 0.00 C ATOM 384 O LEU A 25 -15.594 -1.606 5.659 1.00 0.00 O ATOM 385 CB LEU A 25 -13.875 0.375 3.822 1.00 0.00 C ATOM 386 CG LEU A 25 -13.480 1.850 3.632 1.00 0.00 C ATOM 387 CD1 LEU A 25 -11.973 1.957 3.400 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.231 2.514 2.469 1.00 0.00 C ATOM 0 H LEU A 25 -15.465 1.016 5.932 1.00 0.00 H new ATOM 0 HA LEU A 25 -15.853 0.336 3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.331 -0.027 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.555 -0.190 2.946 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.759 2.379 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.699 3.003 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.443 1.550 4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.701 1.394 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.915 3.553 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.008 1.985 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.304 2.476 2.659 1.00 0.00 H new ATOM 400 N THR A 26 -16.033 -2.141 3.509 1.00 0.00 N ATOM 401 CA THR A 26 -16.598 -3.469 3.757 1.00 0.00 C ATOM 402 C THR A 26 -15.556 -4.488 4.201 1.00 0.00 C ATOM 403 O THR A 26 -14.384 -4.349 3.866 1.00 0.00 O ATOM 404 CB THR A 26 -17.275 -3.946 2.466 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.409 -3.821 1.350 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.497 -3.071 2.219 1.00 0.00 C ATOM 0 H THR A 26 -15.944 -1.921 2.517 1.00 0.00 H new ATOM 0 HA THR A 26 -17.313 -3.386 4.576 1.00 0.00 H new ATOM 0 HB THR A 26 -17.544 -4.996 2.582 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.868 -4.134 0.543 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.996 -3.392 1.304 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.186 -3.162 3.059 1.00 0.00 H new ATOM 0 HG23 THR A 26 -18.185 -2.031 2.117 1.00 0.00 H new ATOM 414 N ASP A 27 -15.968 -5.590 4.832 1.00 0.00 N ATOM 415 CA ASP A 27 -15.079 -6.688 5.184 1.00 0.00 C ATOM 416 C ASP A 27 -14.645 -7.479 3.966 1.00 0.00 C ATOM 417 O ASP A 27 -13.692 -8.241 4.069 1.00 0.00 O ATOM 418 CB ASP A 27 -15.730 -7.630 6.189 1.00 0.00 C ATOM 419 CG ASP A 27 -16.385 -8.858 5.565 1.00 0.00 C ATOM 420 OD1 ASP A 27 -17.372 -8.662 4.823 1.00 0.00 O ATOM 421 OD2 ASP A 27 -15.978 -9.994 5.882 1.00 0.00 O ATOM 0 H ASP A 27 -16.937 -5.742 5.113 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.197 -6.235 5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.975 -7.959 6.903 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.482 -7.078 6.752 1.00 0.00 H new ATOM 426 N ALA A 28 -15.270 -7.261 2.811 1.00 0.00 N ATOM 427 CA ALA A 28 -14.759 -7.852 1.592 1.00 0.00 C ATOM 428 C ALA A 28 -13.296 -7.440 1.370 1.00 0.00 C ATOM 429 O ALA A 28 -12.501 -8.222 0.867 1.00 0.00 O ATOM 430 CB ALA A 28 -15.625 -7.480 0.383 1.00 0.00 C ATOM 0 H ALA A 28 -16.110 -6.693 2.701 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.800 -8.936 1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.213 -7.940 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.642 -7.838 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.636 -6.397 0.263 1.00 0.00 H new ATOM 436 N ILE A 29 -12.900 -6.250 1.835 1.00 0.00 N ATOM 437 CA ILE A 29 -11.517 -5.813 1.746 1.00 0.00 C ATOM 438 C ILE A 29 -10.630 -6.644 2.671 1.00 0.00 C ATOM 439 O ILE A 29 -9.469 -6.829 2.341 1.00 0.00 O ATOM 440 CB ILE A 29 -11.345 -4.299 2.000 1.00 0.00 C ATOM 441 CG1 ILE A 29 -11.340 -3.953 3.507 1.00 0.00 C ATOM 442 CG2 ILE A 29 -12.335 -3.481 1.148 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.633 -2.493 3.841 1.00 0.00 C ATOM 0 H ILE A 29 -13.526 -5.576 2.277 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.196 -5.980 0.718 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.353 -4.001 1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.078 -4.579 4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.366 -4.215 3.920 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.193 -2.418 1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.157 -3.681 0.091 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.356 -3.765 1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.606 -2.355 4.922 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.882 -1.855 3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.620 -2.225 3.465 1.00 0.00 H new ATOM 455 N ASN A 30 -11.136 -7.159 3.801 1.00 0.00 N ATOM 456 CA ASN A 30 -10.378 -8.085 4.641 1.00 0.00 C ATOM 457 C ASN A 30 -10.059 -9.338 3.830 1.00 0.00 C ATOM 458 O ASN A 30 -9.031 -9.960 4.097 1.00 0.00 O ATOM 459 CB ASN A 30 -11.116 -8.467 5.947 1.00 0.00 C ATOM 460 CG ASN A 30 -10.582 -7.755 7.179 1.00 0.00 C ATOM 461 OD1 ASN A 30 -9.448 -7.968 7.593 1.00 0.00 O ATOM 462 ND2 ASN A 30 -11.382 -6.921 7.823 1.00 0.00 N ATOM 0 H ASN A 30 -12.070 -6.946 4.151 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.462 -7.579 4.946 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.176 -8.237 5.836 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.037 -9.544 6.097 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.056 -6.452 8.668 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.325 -6.747 7.474 1.00 0.00 H new ATOM 469 N GLU A 31 -10.888 -9.708 2.845 1.00 0.00 N ATOM 470 CA GLU A 31 -10.569 -10.784 1.921 1.00 0.00 C ATOM 471 C GLU A 31 -9.492 -10.319 0.953 1.00 0.00 C ATOM 472 O GLU A 31 -8.534 -11.052 0.740 1.00 0.00 O ATOM 473 CB GLU A 31 -11.829 -11.358 1.234 1.00 0.00 C ATOM 474 CG GLU A 31 -12.059 -11.248 -0.288 1.00 0.00 C ATOM 475 CD GLU A 31 -12.878 -12.461 -0.747 1.00 0.00 C ATOM 476 OE1 GLU A 31 -12.230 -13.515 -0.950 1.00 0.00 O ATOM 477 OE2 GLU A 31 -14.132 -12.436 -0.782 1.00 0.00 O ATOM 0 H GLU A 31 -11.792 -9.267 2.674 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.161 -11.627 2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.864 -12.419 1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.688 -10.891 1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.586 -10.324 -0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.105 -11.215 -0.814 1.00 0.00 H new ATOM 484 N ASP A 32 -9.600 -9.121 0.383 1.00 0.00 N ATOM 485 CA ASP A 32 -8.609 -8.621 -0.567 1.00 0.00 C ATOM 486 C ASP A 32 -7.241 -8.537 0.109 1.00 0.00 C ATOM 487 O ASP A 32 -6.257 -8.991 -0.462 1.00 0.00 O ATOM 488 CB ASP A 32 -9.006 -7.254 -1.132 1.00 0.00 C ATOM 489 CG ASP A 32 -9.928 -7.332 -2.350 1.00 0.00 C ATOM 490 OD1 ASP A 32 -11.166 -7.318 -2.181 1.00 0.00 O ATOM 491 OD2 ASP A 32 -9.409 -7.267 -3.487 1.00 0.00 O ATOM 0 H ASP A 32 -10.369 -8.475 0.564 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.560 -9.320 -1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.501 -6.678 -0.350 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.103 -6.709 -1.406 1.00 0.00 H new ATOM 496 N PHE A 33 -7.158 -7.986 1.320 1.00 0.00 N ATOM 497 CA PHE A 33 -5.937 -7.867 2.108 1.00 0.00 C ATOM 498 C PHE A 33 -5.379 -9.235 2.486 1.00 0.00 C ATOM 499 O PHE A 33 -4.179 -9.435 2.320 1.00 0.00 O ATOM 500 CB PHE A 33 -6.213 -7.024 3.368 1.00 0.00 C ATOM 501 CG PHE A 33 -6.281 -5.528 3.110 1.00 0.00 C ATOM 502 CD1 PHE A 33 -5.132 -4.842 2.682 1.00 0.00 C ATOM 503 CD2 PHE A 33 -7.480 -4.812 3.274 1.00 0.00 C ATOM 504 CE1 PHE A 33 -5.205 -3.482 2.337 1.00 0.00 C ATOM 505 CE2 PHE A 33 -7.569 -3.468 2.878 1.00 0.00 C ATOM 506 CZ PHE A 33 -6.431 -2.801 2.410 1.00 0.00 C ATOM 0 H PHE A 33 -7.972 -7.596 1.795 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.183 -7.367 1.500 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -7.155 -7.349 3.810 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.431 -7.220 4.102 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.188 -5.363 2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.340 -5.300 3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.316 -2.959 2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.515 -2.949 2.934 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.495 -1.767 2.106 1.00 0.00 H new ATOM 516 N TYR A 34 -6.203 -10.172 2.967 1.00 0.00 N ATOM 517 CA TYR A 34 -5.765 -11.514 3.327 1.00 0.00 C ATOM 518 C TYR A 34 -5.223 -12.241 2.103 1.00 0.00 C ATOM 519 O TYR A 34 -4.098 -12.747 2.102 1.00 0.00 O ATOM 520 CB TYR A 34 -6.970 -12.259 3.906 1.00 0.00 C ATOM 521 CG TYR A 34 -6.798 -13.734 4.183 1.00 0.00 C ATOM 522 CD1 TYR A 34 -5.603 -14.238 4.728 1.00 0.00 C ATOM 523 CD2 TYR A 34 -7.877 -14.597 3.935 1.00 0.00 C ATOM 524 CE1 TYR A 34 -5.488 -15.604 5.030 1.00 0.00 C ATOM 525 CE2 TYR A 34 -7.786 -15.957 4.267 1.00 0.00 C ATOM 526 CZ TYR A 34 -6.591 -16.463 4.823 1.00 0.00 C ATOM 527 OH TYR A 34 -6.512 -17.768 5.191 1.00 0.00 O ATOM 0 H TYR A 34 -7.199 -10.014 3.117 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.963 -11.467 4.064 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.254 -11.770 4.838 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.805 -12.139 3.216 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.773 -13.573 4.914 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.781 -14.212 3.487 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.560 -15.997 5.419 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.626 -16.614 4.098 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.356 -18.219 4.980 1.00 0.00 H new ATOM 537 N ASN A 35 -6.023 -12.261 1.038 1.00 0.00 N ATOM 538 CA ASN A 35 -5.694 -12.931 -0.205 1.00 0.00 C ATOM 539 C ASN A 35 -4.638 -12.155 -0.995 1.00 0.00 C ATOM 540 O ASN A 35 -4.316 -12.542 -2.110 1.00 0.00 O ATOM 541 CB ASN A 35 -6.936 -13.101 -1.096 1.00 0.00 C ATOM 542 CG ASN A 35 -8.067 -13.931 -0.502 1.00 0.00 C ATOM 543 OD1 ASN A 35 -7.856 -15.042 -0.031 1.00 0.00 O ATOM 544 ND2 ASN A 35 -9.288 -13.427 -0.565 1.00 0.00 N ATOM 0 H ASN A 35 -6.933 -11.801 1.021 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.301 -13.911 0.067 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.325 -12.112 -1.338 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.627 -13.561 -2.035 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.081 -13.966 -0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.437 -12.499 -0.962 1.00 0.00 H new ATOM 551 N PHE A 36 -4.102 -11.041 -0.508 1.00 0.00 N ATOM 552 CA PHE A 36 -3.232 -10.196 -1.312 1.00 0.00 C ATOM 553 C PHE A 36 -1.935 -10.910 -1.691 1.00 0.00 C ATOM 554 O PHE A 36 -1.379 -10.648 -2.755 1.00 0.00 O ATOM 555 CB PHE A 36 -2.931 -8.939 -0.499 1.00 0.00 C ATOM 556 CG PHE A 36 -2.081 -7.930 -1.216 1.00 0.00 C ATOM 557 CD1 PHE A 36 -2.662 -7.117 -2.196 1.00 0.00 C ATOM 558 CD2 PHE A 36 -0.721 -7.797 -0.900 1.00 0.00 C ATOM 559 CE1 PHE A 36 -1.878 -6.179 -2.881 1.00 0.00 C ATOM 560 CE2 PHE A 36 0.046 -6.824 -1.557 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.522 -6.021 -2.553 1.00 0.00 C ATOM 0 H PHE A 36 -4.256 -10.703 0.442 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.732 -9.945 -2.247 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.873 -8.469 -0.217 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.430 -9.229 0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.713 -7.212 -2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.269 -8.438 -0.158 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.317 -5.577 -3.662 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.085 -6.693 -1.292 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.079 -5.285 -3.066 1.00 0.00 H new ATOM 571 N TRP A 37 -1.491 -11.866 -0.874 1.00 0.00 N ATOM 572 CA TRP A 37 -0.327 -12.698 -1.173 1.00 0.00 C ATOM 573 C TRP A 37 -0.689 -14.040 -1.842 1.00 0.00 C ATOM 574 O TRP A 37 0.109 -14.980 -1.780 1.00 0.00 O ATOM 575 CB TRP A 37 0.596 -12.799 0.062 1.00 0.00 C ATOM 576 CG TRP A 37 1.232 -11.511 0.517 1.00 0.00 C ATOM 577 CD1 TRP A 37 1.337 -11.070 1.794 1.00 0.00 C ATOM 578 CD2 TRP A 37 1.898 -10.497 -0.300 1.00 0.00 C ATOM 579 NE1 TRP A 37 1.968 -9.839 1.818 1.00 0.00 N ATOM 580 CE2 TRP A 37 2.309 -9.422 0.544 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.188 -10.368 -1.675 1.00 0.00 C ATOM 582 CZ2 TRP A 37 2.908 -8.255 0.033 1.00 0.00 C ATOM 583 CZ3 TRP A 37 2.777 -9.209 -2.199 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.115 -8.144 -1.356 1.00 0.00 C ATOM 0 H TRP A 37 -1.932 -12.085 0.019 1.00 0.00 H new ATOM 0 HA TRP A 37 0.261 -12.202 -1.946 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.018 -13.208 0.891 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.388 -13.515 -0.158 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.981 -11.601 2.664 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.158 -9.307 2.667 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.950 -11.184 -2.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.205 -7.456 0.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.971 -9.137 -3.259 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.534 -7.239 -1.770 1.00 0.00 H new ATOM 595 N LYS A 38 -1.857 -14.163 -2.497 1.00 0.00 N ATOM 596 CA LYS A 38 -2.218 -15.284 -3.362 1.00 0.00 C ATOM 597 C LYS A 38 -1.292 -15.345 -4.591 1.00 0.00 C ATOM 598 O LYS A 38 -0.334 -14.580 -4.730 1.00 0.00 O ATOM 599 CB LYS A 38 -3.694 -15.097 -3.786 1.00 0.00 C ATOM 600 CG LYS A 38 -4.746 -15.985 -3.106 1.00 0.00 C ATOM 601 CD LYS A 38 -4.717 -16.072 -1.571 1.00 0.00 C ATOM 602 CE LYS A 38 -4.355 -17.480 -1.087 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.576 -17.662 0.364 1.00 0.00 N ATOM 0 H LYS A 38 -2.593 -13.460 -2.432 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.100 -16.227 -2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.966 -14.057 -3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.758 -15.263 -4.861 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.732 -15.627 -3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.640 -16.995 -3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.994 -15.356 -1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.692 -15.790 -1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.949 -18.211 -1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.309 -17.681 -1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.315 -18.631 0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.990 -16.984 0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.579 -17.498 0.586 1.00 0.00 H new ATOM 617 N GLU A 39 -1.597 -16.264 -5.499 1.00 0.00 N ATOM 618 CA GLU A 39 -0.823 -16.644 -6.672 1.00 0.00 C ATOM 619 C GLU A 39 -1.593 -16.353 -7.970 1.00 0.00 C ATOM 620 O GLU A 39 -1.807 -17.224 -8.815 1.00 0.00 O ATOM 621 CB GLU A 39 -0.360 -18.086 -6.511 1.00 0.00 C ATOM 622 CG GLU A 39 -1.545 -19.035 -6.387 1.00 0.00 C ATOM 623 CD GLU A 39 -1.886 -19.366 -4.940 1.00 0.00 C ATOM 624 OE1 GLU A 39 -1.313 -20.326 -4.388 1.00 0.00 O ATOM 625 OE2 GLU A 39 -2.681 -18.605 -4.326 1.00 0.00 O ATOM 0 H GLU A 39 -2.459 -16.804 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 39 0.075 -16.032 -6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.250 -18.372 -7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.272 -18.171 -5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.415 -18.587 -6.867 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.324 -19.958 -6.924 1.00 0.00 H new ATOM 632 N GLY A 40 -2.036 -15.110 -8.130 1.00 0.00 N ATOM 633 CA GLY A 40 -2.686 -14.595 -9.336 1.00 0.00 C ATOM 634 C GLY A 40 -4.037 -13.940 -9.063 1.00 0.00 C ATOM 635 O GLY A 40 -4.833 -13.794 -9.988 1.00 0.00 O ATOM 0 H GLY A 40 -1.950 -14.405 -7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.028 -13.868 -9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.823 -15.413 -10.043 1.00 0.00 H new ATOM 639 N TYR A 41 -4.323 -13.575 -7.811 1.00 0.00 N ATOM 640 CA TYR A 41 -5.529 -12.857 -7.428 1.00 0.00 C ATOM 641 C TYR A 41 -5.561 -11.493 -8.113 1.00 0.00 C ATOM 642 O TYR A 41 -4.520 -10.933 -8.470 1.00 0.00 O ATOM 643 CB TYR A 41 -5.532 -12.745 -5.900 1.00 0.00 C ATOM 644 CG TYR A 41 -6.723 -12.097 -5.227 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.852 -10.689 -5.197 1.00 0.00 C ATOM 646 CD2 TYR A 41 -7.630 -12.915 -4.518 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.905 -10.130 -4.449 1.00 0.00 C ATOM 648 CE2 TYR A 41 -8.692 -12.351 -3.788 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.841 -10.951 -3.778 1.00 0.00 C ATOM 650 OH TYR A 41 -9.917 -10.390 -3.171 1.00 0.00 O ATOM 0 H TYR A 41 -3.707 -13.777 -7.024 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.428 -13.385 -7.746 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.428 -13.751 -5.493 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.642 -12.189 -5.606 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.160 -10.058 -5.735 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.507 -13.988 -4.537 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.000 -9.056 -4.386 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.381 -12.981 -3.245 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.578 -11.085 -2.969 1.00 0.00 H new ATOM 660 N GLU A 42 -6.755 -10.932 -8.261 1.00 0.00 N ATOM 661 CA GLU A 42 -6.993 -9.638 -8.841 1.00 0.00 C ATOM 662 C GLU A 42 -7.916 -8.836 -7.929 1.00 0.00 C ATOM 663 O GLU A 42 -8.912 -9.346 -7.420 1.00 0.00 O ATOM 664 CB GLU A 42 -7.561 -9.882 -10.238 1.00 0.00 C ATOM 665 CG GLU A 42 -7.979 -8.604 -10.954 1.00 0.00 C ATOM 666 CD GLU A 42 -7.005 -8.029 -11.986 1.00 0.00 C ATOM 667 OE1 GLU A 42 -5.797 -8.357 -11.991 1.00 0.00 O ATOM 668 OE2 GLU A 42 -7.464 -7.224 -12.835 1.00 0.00 O ATOM 0 H GLU A 42 -7.614 -11.395 -7.964 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.086 -9.041 -8.938 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.814 -10.399 -10.840 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.423 -10.545 -10.161 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.929 -8.792 -11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.162 -7.839 -10.200 1.00 0.00 H new ATOM 675 N ILE A 43 -7.559 -7.572 -7.737 1.00 0.00 N ATOM 676 CA ILE A 43 -8.123 -6.639 -6.784 1.00 0.00 C ATOM 677 C ILE A 43 -8.947 -5.671 -7.620 1.00 0.00 C ATOM 678 O ILE A 43 -8.412 -5.033 -8.537 1.00 0.00 O ATOM 679 CB ILE A 43 -6.967 -5.909 -6.066 1.00 0.00 C ATOM 680 CG1 ILE A 43 -6.011 -6.867 -5.346 1.00 0.00 C ATOM 681 CG2 ILE A 43 -7.493 -4.864 -5.059 1.00 0.00 C ATOM 682 CD1 ILE A 43 -4.657 -6.228 -5.039 1.00 0.00 C ATOM 0 H ILE A 43 -6.812 -7.146 -8.286 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.736 -7.117 -6.020 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.408 -5.404 -6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.470 -7.201 -4.415 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.859 -7.753 -5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.651 -4.371 -4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.094 -4.122 -5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.106 -5.360 -4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.021 -6.951 -4.529 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.181 -5.919 -5.970 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.802 -5.358 -4.399 1.00 0.00 H new ATOM 694 N LYS A 44 -10.241 -5.559 -7.325 1.00 0.00 N ATOM 695 CA LYS A 44 -11.167 -4.748 -8.103 1.00 0.00 C ATOM 696 C LYS A 44 -12.058 -3.859 -7.245 1.00 0.00 C ATOM 697 O LYS A 44 -12.481 -2.818 -7.746 1.00 0.00 O ATOM 698 CB LYS A 44 -12.057 -5.674 -8.950 1.00 0.00 C ATOM 699 CG LYS A 44 -11.362 -6.580 -9.971 1.00 0.00 C ATOM 700 CD LYS A 44 -10.659 -5.801 -11.092 1.00 0.00 C ATOM 701 CE LYS A 44 -10.718 -6.649 -12.364 1.00 0.00 C ATOM 702 NZ LYS A 44 -9.952 -6.052 -13.471 1.00 0.00 N ATOM 0 H LYS A 44 -10.676 -6.033 -6.534 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.564 -4.090 -8.729 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.627 -6.308 -8.270 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.776 -5.053 -9.485 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.630 -7.202 -9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.099 -7.252 -10.411 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.147 -4.839 -11.252 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.624 -5.592 -10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.329 -7.645 -12.152 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.757 -6.771 -12.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.368 -6.345 -14.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.982 -5.015 -13.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.964 -6.374 -13.423 1.00 0.00 H new ATOM 716 N ASN A 45 -12.332 -4.230 -5.992 1.00 0.00 N ATOM 717 CA ASN A 45 -13.142 -3.419 -5.087 1.00 0.00 C ATOM 718 C ASN A 45 -12.436 -2.095 -4.863 1.00 0.00 C ATOM 719 O ASN A 45 -11.426 -2.066 -4.165 1.00 0.00 O ATOM 720 CB ASN A 45 -13.345 -4.113 -3.722 1.00 0.00 C ATOM 721 CG ASN A 45 -14.782 -4.498 -3.447 1.00 0.00 C ATOM 722 OD1 ASN A 45 -15.714 -3.817 -3.872 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.972 -5.553 -2.676 1.00 0.00 N ATOM 0 H ASN A 45 -11.998 -5.101 -5.579 1.00 0.00 H new ATOM 0 HA ASN A 45 -14.122 -3.274 -5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.724 -5.008 -3.683 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.998 -3.449 -2.931 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -15.918 -5.829 -2.413 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -14.173 -6.092 -2.344 1.00 0.00 H new ATOM 730 N ARG A 46 -12.961 -0.974 -5.367 1.00 0.00 N ATOM 731 CA ARG A 46 -12.383 0.337 -5.117 1.00 0.00 C ATOM 732 C ARG A 46 -12.269 0.603 -3.610 1.00 0.00 C ATOM 733 O ARG A 46 -11.408 1.374 -3.191 1.00 0.00 O ATOM 734 CB ARG A 46 -13.177 1.407 -5.887 1.00 0.00 C ATOM 735 CG ARG A 46 -14.373 2.022 -5.143 1.00 0.00 C ATOM 736 CD ARG A 46 -15.530 2.434 -6.066 1.00 0.00 C ATOM 737 NE ARG A 46 -15.414 3.774 -6.673 1.00 0.00 N ATOM 738 CZ ARG A 46 -16.373 4.299 -7.450 1.00 0.00 C ATOM 739 NH1 ARG A 46 -17.421 3.588 -7.841 1.00 0.00 N ATOM 740 NH2 ARG A 46 -16.317 5.559 -7.856 1.00 0.00 N ATOM 0 H ARG A 46 -13.794 -0.956 -5.956 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.361 0.377 -5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.494 2.210 -6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.540 0.965 -6.815 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.742 1.304 -4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.034 2.897 -4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.613 1.698 -6.866 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -16.458 2.392 -5.496 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.572 4.322 -6.495 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.514 2.615 -7.551 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.135 4.014 -8.432 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.534 6.150 -7.578 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.057 5.938 -8.447 1.00 0.00 H new ATOM 754 N GLU A 47 -13.095 -0.060 -2.787 1.00 0.00 N ATOM 755 CA GLU A 47 -13.039 0.050 -1.335 1.00 0.00 C ATOM 756 C GLU A 47 -11.668 -0.369 -0.779 1.00 0.00 C ATOM 757 O GLU A 47 -11.239 0.194 0.228 1.00 0.00 O ATOM 758 CB GLU A 47 -14.211 -0.701 -0.648 1.00 0.00 C ATOM 759 CG GLU A 47 -15.599 -0.175 -1.065 1.00 0.00 C ATOM 760 CD GLU A 47 -16.731 -0.667 -0.145 1.00 0.00 C ATOM 761 OE1 GLU A 47 -16.594 -0.503 1.086 1.00 0.00 O ATOM 762 OE2 GLU A 47 -17.784 -1.136 -0.642 1.00 0.00 O ATOM 0 H GLU A 47 -13.824 -0.691 -3.120 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.164 1.105 -1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.145 -1.762 -0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.106 -0.612 0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.584 0.915 -1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.808 -0.488 -2.088 1.00 0.00 H new ATOM 769 N THR A 48 -10.939 -1.281 -1.433 1.00 0.00 N ATOM 770 CA THR A 48 -9.610 -1.682 -0.988 1.00 0.00 C ATOM 771 C THR A 48 -8.641 -0.531 -1.240 1.00 0.00 C ATOM 772 O THR A 48 -7.890 -0.143 -0.350 1.00 0.00 O ATOM 773 CB THR A 48 -9.141 -2.979 -1.661 1.00 0.00 C ATOM 774 OG1 THR A 48 -8.768 -2.760 -3.005 1.00 0.00 O ATOM 775 CG2 THR A 48 -10.186 -4.088 -1.669 1.00 0.00 C ATOM 0 H THR A 48 -11.255 -1.755 -2.279 1.00 0.00 H new ATOM 0 HA THR A 48 -9.644 -1.899 0.080 1.00 0.00 H new ATOM 0 HB THR A 48 -8.292 -3.297 -1.056 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.557 -2.502 -3.526 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.777 -4.970 -2.162 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.458 -4.339 -0.644 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.072 -3.750 -2.207 1.00 0.00 H new ATOM 783 N GLY A 49 -8.700 0.067 -2.430 1.00 0.00 N ATOM 784 CA GLY A 49 -7.859 1.181 -2.808 1.00 0.00 C ATOM 785 C GLY A 49 -8.031 2.360 -1.856 1.00 0.00 C ATOM 786 O GLY A 49 -7.044 2.985 -1.472 1.00 0.00 O ATOM 0 H GLY A 49 -9.347 -0.221 -3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.816 0.865 -2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.102 1.494 -3.823 1.00 0.00 H new ATOM 790 N CYS A 50 -9.271 2.664 -1.449 1.00 0.00 N ATOM 791 CA CYS A 50 -9.504 3.719 -0.468 1.00 0.00 C ATOM 792 C CYS A 50 -9.050 3.319 0.941 1.00 0.00 C ATOM 793 O CYS A 50 -8.620 4.193 1.691 1.00 0.00 O ATOM 794 CB CYS A 50 -10.958 4.210 -0.489 1.00 0.00 C ATOM 795 SG CYS A 50 -11.081 5.866 -1.222 1.00 0.00 S ATOM 0 H CYS A 50 -10.115 2.198 -1.782 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.880 4.562 -0.764 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.572 3.511 -1.057 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.353 4.229 0.527 1.00 0.00 H new ATOM 800 N ALA A 51 -9.093 2.034 1.309 1.00 0.00 N ATOM 801 CA ALA A 51 -8.495 1.565 2.556 1.00 0.00 C ATOM 802 C ALA A 51 -6.984 1.793 2.526 1.00 0.00 C ATOM 803 O ALA A 51 -6.456 2.448 3.420 1.00 0.00 O ATOM 804 CB ALA A 51 -8.837 0.096 2.813 1.00 0.00 C ATOM 0 H ALA A 51 -9.538 1.301 0.757 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.912 2.139 3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.379 -0.226 3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.919 -0.019 2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.458 -0.515 1.994 1.00 0.00 H new ATOM 810 N ILE A 52 -6.297 1.308 1.487 1.00 0.00 N ATOM 811 CA ILE A 52 -4.859 1.476 1.272 1.00 0.00 C ATOM 812 C ILE A 52 -4.515 2.971 1.370 1.00 0.00 C ATOM 813 O ILE A 52 -3.601 3.350 2.101 1.00 0.00 O ATOM 814 CB ILE A 52 -4.444 0.806 -0.071 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.625 -0.731 0.001 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.982 1.093 -0.446 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.518 -1.485 -1.332 1.00 0.00 C ATOM 0 H ILE A 52 -6.745 0.768 0.746 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.277 0.971 2.043 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.095 1.236 -0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.877 -1.133 0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.601 -0.942 0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.746 0.602 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.837 2.168 -0.550 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.324 0.712 0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.661 -2.552 -1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.284 -1.122 -2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.533 -1.317 -1.767 1.00 0.00 H new ATOM 829 N MET A 53 -5.273 3.836 0.694 1.00 0.00 N ATOM 830 CA MET A 53 -5.073 5.280 0.738 1.00 0.00 C ATOM 831 C MET A 53 -5.206 5.824 2.168 1.00 0.00 C ATOM 832 O MET A 53 -4.282 6.471 2.664 1.00 0.00 O ATOM 833 CB MET A 53 -6.052 5.934 -0.244 1.00 0.00 C ATOM 834 CG MET A 53 -5.776 7.424 -0.434 1.00 0.00 C ATOM 835 SD MET A 53 -6.762 8.469 0.664 1.00 0.00 S ATOM 836 CE MET A 53 -8.355 8.287 -0.183 1.00 0.00 C ATOM 0 H MET A 53 -6.048 3.549 0.097 1.00 0.00 H new ATOM 0 HA MET A 53 -4.057 5.527 0.431 1.00 0.00 H new ATOM 0 HB2 MET A 53 -5.987 5.429 -1.208 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.071 5.799 0.119 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.718 7.618 -0.258 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.982 7.697 -1.469 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.841 9.260 -0.257 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.192 7.886 -1.183 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.992 7.606 0.382 1.00 0.00 H new ATOM 846 N CYS A 54 -6.313 5.525 2.858 1.00 0.00 N ATOM 847 CA CYS A 54 -6.557 5.970 4.228 1.00 0.00 C ATOM 848 C CYS A 54 -5.427 5.535 5.156 1.00 0.00 C ATOM 849 O CYS A 54 -4.919 6.348 5.929 1.00 0.00 O ATOM 850 CB CYS A 54 -7.911 5.443 4.721 1.00 0.00 C ATOM 851 SG CYS A 54 -8.360 5.927 6.410 1.00 0.00 S ATOM 0 H CYS A 54 -7.071 4.961 2.473 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.586 7.060 4.237 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.688 5.793 4.041 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.902 4.355 4.662 1.00 0.00 H new ATOM 856 N LEU A 55 -5.018 4.266 5.064 1.00 0.00 N ATOM 857 CA LEU A 55 -3.909 3.708 5.822 1.00 0.00 C ATOM 858 C LEU A 55 -2.668 4.553 5.564 1.00 0.00 C ATOM 859 O LEU A 55 -2.070 5.040 6.516 1.00 0.00 O ATOM 860 CB LEU A 55 -3.658 2.246 5.416 1.00 0.00 C ATOM 861 CG LEU A 55 -4.715 1.244 5.910 1.00 0.00 C ATOM 862 CD1 LEU A 55 -4.470 -0.110 5.233 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.703 1.113 7.435 1.00 0.00 C ATOM 0 H LEU A 55 -5.463 3.588 4.445 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.149 3.722 6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.606 2.190 4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.684 1.941 5.797 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.705 1.611 5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.214 -0.828 5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.548 0.004 4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.473 -0.470 5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.464 0.396 7.745 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.723 0.766 7.763 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.914 2.083 7.885 1.00 0.00 H new ATOM 875 N SER A 56 -2.312 4.792 4.295 1.00 0.00 N ATOM 876 CA SER A 56 -1.191 5.650 3.926 1.00 0.00 C ATOM 877 C SER A 56 -1.281 7.001 4.639 1.00 0.00 C ATOM 878 O SER A 56 -0.270 7.465 5.170 1.00 0.00 O ATOM 879 CB SER A 56 -1.115 5.817 2.403 1.00 0.00 C ATOM 880 OG SER A 56 0.236 5.929 1.978 1.00 0.00 O ATOM 0 H SER A 56 -2.800 4.390 3.494 1.00 0.00 H new ATOM 0 HA SER A 56 -0.268 5.171 4.251 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.586 4.964 1.914 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.671 6.704 2.101 1.00 0.00 H new ATOM 0 HG SER A 56 0.265 6.033 1.004 1.00 0.00 H new ATOM 886 N THR A 57 -2.458 7.629 4.680 1.00 0.00 N ATOM 887 CA THR A 57 -2.631 8.896 5.373 1.00 0.00 C ATOM 888 C THR A 57 -2.217 8.685 6.846 1.00 0.00 C ATOM 889 O THR A 57 -1.312 9.353 7.349 1.00 0.00 O ATOM 890 CB THR A 57 -4.083 9.427 5.206 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.068 10.538 4.348 1.00 0.00 O ATOM 892 CG2 THR A 57 -4.726 9.930 6.495 1.00 0.00 C ATOM 0 H THR A 57 -3.306 7.274 4.238 1.00 0.00 H new ATOM 0 HA THR A 57 -1.996 9.670 4.943 1.00 0.00 H new ATOM 0 HB THR A 57 -4.654 8.576 4.834 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.981 10.877 4.236 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.736 10.281 6.285 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.768 9.119 7.222 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.134 10.750 6.901 1.00 0.00 H new ATOM 900 N LYS A 58 -2.840 7.707 7.525 1.00 0.00 N ATOM 901 CA LYS A 58 -2.667 7.421 8.956 1.00 0.00 C ATOM 902 C LYS A 58 -1.249 6.978 9.300 1.00 0.00 C ATOM 903 O LYS A 58 -0.899 6.882 10.477 1.00 0.00 O ATOM 904 CB LYS A 58 -3.658 6.344 9.403 1.00 0.00 C ATOM 905 CG LYS A 58 -5.115 6.793 9.220 1.00 0.00 C ATOM 906 CD LYS A 58 -5.973 6.689 10.473 1.00 0.00 C ATOM 907 CE LYS A 58 -7.379 7.228 10.142 1.00 0.00 C ATOM 908 NZ LYS A 58 -8.003 7.894 11.303 1.00 0.00 N ATOM 0 H LYS A 58 -3.500 7.073 7.075 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.859 8.353 9.488 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.485 5.432 8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.482 6.102 10.451 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.122 7.827 8.876 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.570 6.192 8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.032 5.653 10.808 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.528 7.262 11.287 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.311 7.932 9.313 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.014 6.406 9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.029 7.968 11.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.820 7.337 12.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.600 8.846 11.415 1.00 0.00 H new ATOM 922 N LEU A 59 -0.423 6.669 8.303 1.00 0.00 N ATOM 923 CA LEU A 59 0.979 6.330 8.463 1.00 0.00 C ATOM 924 C LEU A 59 1.843 7.564 8.226 1.00 0.00 C ATOM 925 O LEU A 59 3.034 7.425 7.952 1.00 0.00 O ATOM 926 CB LEU A 59 1.373 5.193 7.518 1.00 0.00 C ATOM 927 CG LEU A 59 0.561 3.913 7.805 1.00 0.00 C ATOM 928 CD1 LEU A 59 0.406 3.114 6.520 1.00 0.00 C ATOM 929 CD2 LEU A 59 1.239 3.053 8.876 1.00 0.00 C ATOM 0 H LEU A 59 -0.727 6.649 7.330 1.00 0.00 H new ATOM 0 HA LEU A 59 1.143 5.984 9.483 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.212 5.504 6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.437 4.982 7.625 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.420 4.204 8.180 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.168 2.209 6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.116 3.717 5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.391 2.842 6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.643 2.159 9.056 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.233 2.764 8.535 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.325 3.624 9.801 1.00 0.00 H new ATOM 941 N ASN A 60 1.274 8.763 8.346 1.00 0.00 N ATOM 942 CA ASN A 60 1.905 10.057 8.122 1.00 0.00 C ATOM 943 C ASN A 60 2.444 10.203 6.696 1.00 0.00 C ATOM 944 O ASN A 60 3.340 11.012 6.472 1.00 0.00 O ATOM 945 CB ASN A 60 2.997 10.317 9.193 1.00 0.00 C ATOM 946 CG ASN A 60 3.295 11.796 9.423 1.00 0.00 C ATOM 947 OD1 ASN A 60 2.442 12.659 9.249 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.473 12.136 9.930 1.00 0.00 N ATOM 0 H ASN A 60 0.296 8.859 8.620 1.00 0.00 H new ATOM 0 HA ASN A 60 1.140 10.826 8.229 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.682 9.869 10.135 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.916 9.814 8.891 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.663 13.109 10.171 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.189 11.425 10.078 1.00 0.00 H new ATOM 955 N MET A 61 1.984 9.397 5.727 1.00 0.00 N ATOM 956 CA MET A 61 2.626 9.418 4.405 1.00 0.00 C ATOM 957 C MET A 61 1.977 10.438 3.484 1.00 0.00 C ATOM 958 O MET A 61 2.578 10.753 2.462 1.00 0.00 O ATOM 959 CB MET A 61 2.636 8.041 3.704 1.00 0.00 C ATOM 960 CG MET A 61 3.796 7.153 4.160 1.00 0.00 C ATOM 961 SD MET A 61 4.351 6.023 2.853 1.00 0.00 S ATOM 962 CE MET A 61 3.306 4.576 3.090 1.00 0.00 C ATOM 0 H MET A 61 1.203 8.748 5.825 1.00 0.00 H new ATOM 0 HA MET A 61 3.661 9.701 4.598 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.694 7.530 3.902 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.698 8.188 2.626 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.630 7.781 4.473 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.488 6.575 5.031 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.416 3.905 2.238 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.604 4.058 4.002 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.265 4.889 3.174 1.00 0.00 H new ATOM 972 N LEU A 62 0.768 10.910 3.785 1.00 0.00 N ATOM 973 CA LEU A 62 0.018 11.754 2.868 1.00 0.00 C ATOM 974 C LEU A 62 0.052 13.143 3.429 1.00 0.00 C ATOM 975 O LEU A 62 -0.418 13.390 4.539 1.00 0.00 O ATOM 976 CB LEU A 62 -1.423 11.287 2.689 1.00 0.00 C ATOM 977 CG LEU A 62 -1.579 10.114 1.712 1.00 0.00 C ATOM 978 CD1 LEU A 62 -0.450 9.084 1.670 1.00 0.00 C ATOM 979 CD2 LEU A 62 -2.964 9.475 1.695 1.00 0.00 C ATOM 0 H LEU A 62 0.288 10.718 4.664 1.00 0.00 H new ATOM 0 HA LEU A 62 0.471 11.709 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.823 10.994 3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.025 12.124 2.335 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.471 10.636 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.689 8.312 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.481 9.576 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.336 8.629 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.978 8.656 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.199 9.090 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.706 10.221 1.410 1.00 0.00 H new ATOM 1053 N LEU A 68 1.713 11.726 -1.961 1.00 0.00 N ATOM 1054 CA LEU A 68 2.596 10.810 -1.255 1.00 0.00 C ATOM 1055 C LEU A 68 3.912 11.504 -0.918 1.00 0.00 C ATOM 1056 O LEU A 68 4.708 11.825 -1.797 1.00 0.00 O ATOM 1057 CB LEU A 68 2.783 9.542 -2.094 1.00 0.00 C ATOM 1058 CG LEU A 68 3.103 8.304 -1.240 1.00 0.00 C ATOM 1059 CD1 LEU A 68 2.613 7.081 -2.013 1.00 0.00 C ATOM 1060 CD2 LEU A 68 4.584 8.123 -0.905 1.00 0.00 C ATOM 0 HA LEU A 68 2.154 10.510 -0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.876 9.356 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.589 9.702 -2.811 1.00 0.00 H new ATOM 0 HG LEU A 68 2.602 8.434 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.823 6.179 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.539 7.163 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.127 7.027 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.713 7.225 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.156 8.025 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.940 8.990 -0.348 1.00 0.00 H new ATOM 1072 N HIS A 69 4.137 11.760 0.367 1.00 0.00 N ATOM 1073 CA HIS A 69 5.351 12.365 0.876 1.00 0.00 C ATOM 1074 C HIS A 69 6.477 11.332 0.840 1.00 0.00 C ATOM 1075 O HIS A 69 6.813 10.723 1.859 1.00 0.00 O ATOM 1076 CB HIS A 69 5.091 12.914 2.289 1.00 0.00 C ATOM 1077 CG HIS A 69 6.182 13.818 2.818 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.535 13.574 2.735 1.00 0.00 N ATOM 1079 CD2 HIS A 69 6.014 14.977 3.533 1.00 0.00 C ATOM 1080 CE1 HIS A 69 8.172 14.530 3.426 1.00 0.00 C ATOM 1081 NE2 HIS A 69 7.290 15.412 3.919 1.00 0.00 N ATOM 0 H HIS A 69 3.459 11.545 1.098 1.00 0.00 H new ATOM 0 HA HIS A 69 5.660 13.206 0.255 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.150 13.464 2.284 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.966 12.076 2.974 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.076 15.463 3.756 1.00 0.00 H new ATOM 0 HE1 HIS A 69 9.242 14.582 3.566 1.00 0.00 H new ATOM 0 HE2 HIS A 69 7.506 16.242 4.470 1.00 0.00 H new ATOM 1089 N HIS A 70 7.113 11.165 -0.318 1.00 0.00 N ATOM 1090 CA HIS A 70 8.198 10.215 -0.551 1.00 0.00 C ATOM 1091 C HIS A 70 9.329 10.318 0.481 1.00 0.00 C ATOM 1092 O HIS A 70 9.910 9.304 0.875 1.00 0.00 O ATOM 1093 CB HIS A 70 8.740 10.447 -1.959 1.00 0.00 C ATOM 1094 CG HIS A 70 7.699 10.213 -3.022 1.00 0.00 C ATOM 1095 ND1 HIS A 70 7.151 11.165 -3.853 1.00 0.00 N ATOM 1096 CD2 HIS A 70 7.042 9.034 -3.251 1.00 0.00 C ATOM 1097 CE1 HIS A 70 6.176 10.564 -4.556 1.00 0.00 C ATOM 1098 NE2 HIS A 70 6.089 9.259 -4.239 1.00 0.00 N ATOM 0 H HIS A 70 6.878 11.707 -1.149 1.00 0.00 H new ATOM 0 HA HIS A 70 7.793 9.208 -0.446 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.113 11.468 -2.038 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.588 9.784 -2.133 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.230 8.095 -2.752 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.546 11.062 -5.279 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.452 8.572 -4.642 1.00 0.00 H new ATOM 1106 N GLY A 71 9.630 11.530 0.955 1.00 0.00 N ATOM 1107 CA GLY A 71 10.586 11.760 2.031 1.00 0.00 C ATOM 1108 C GLY A 71 10.244 10.968 3.298 1.00 0.00 C ATOM 1109 O GLY A 71 11.117 10.354 3.909 1.00 0.00 O ATOM 0 H GLY A 71 9.209 12.387 0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.584 11.483 1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.613 12.824 2.267 1.00 0.00 H new ATOM 1113 N ASN A 72 8.968 10.957 3.693 1.00 0.00 N ATOM 1114 CA ASN A 72 8.502 10.356 4.937 1.00 0.00 C ATOM 1115 C ASN A 72 8.225 8.867 4.755 1.00 0.00 C ATOM 1116 O ASN A 72 8.479 8.055 5.641 1.00 0.00 O ATOM 1117 CB ASN A 72 7.213 11.059 5.394 1.00 0.00 C ATOM 1118 CG ASN A 72 7.071 11.035 6.905 1.00 0.00 C ATOM 1119 OD1 ASN A 72 8.014 10.810 7.656 1.00 0.00 O ATOM 1120 ND2 ASN A 72 5.891 11.316 7.405 1.00 0.00 N ATOM 0 H ASN A 72 8.218 11.375 3.143 1.00 0.00 H new ATOM 0 HA ASN A 72 9.282 10.475 5.689 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.217 12.091 5.044 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.351 10.572 4.939 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.760 11.347 8.416 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.105 11.504 6.783 1.00 0.00 H new ATOM 1127 N ALA A 73 7.731 8.508 3.569 1.00 0.00 N ATOM 1128 CA ALA A 73 7.606 7.152 3.075 1.00 0.00 C ATOM 1129 C ALA A 73 8.911 6.362 3.256 1.00 0.00 C ATOM 1130 O ALA A 73 8.875 5.219 3.713 1.00 0.00 O ATOM 1131 CB ALA A 73 7.164 7.239 1.611 1.00 0.00 C ATOM 0 H ALA A 73 7.392 9.198 2.898 1.00 0.00 H new ATOM 0 HA ALA A 73 6.860 6.601 3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.059 6.234 1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.207 7.758 1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.911 7.787 1.037 1.00 0.00 H new ATOM 1137 N MET A 74 10.061 6.968 2.941 1.00 0.00 N ATOM 1138 CA MET A 74 11.373 6.378 3.158 1.00 0.00 C ATOM 1139 C MET A 74 11.672 6.185 4.650 1.00 0.00 C ATOM 1140 O MET A 74 12.197 5.134 5.024 1.00 0.00 O ATOM 1141 CB MET A 74 12.424 7.255 2.466 1.00 0.00 C ATOM 1142 CG MET A 74 13.838 6.707 2.667 1.00 0.00 C ATOM 1143 SD MET A 74 14.938 6.894 1.251 1.00 0.00 S ATOM 1144 CE MET A 74 14.227 5.643 0.153 1.00 0.00 C ATOM 0 H MET A 74 10.100 7.897 2.522 1.00 0.00 H new ATOM 0 HA MET A 74 11.398 5.380 2.721 1.00 0.00 H new ATOM 0 HB2 MET A 74 12.204 7.314 1.400 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.368 8.270 2.859 1.00 0.00 H new ATOM 0 HG2 MET A 74 14.287 7.208 3.525 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.769 5.648 2.916 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.011 4.963 -0.180 1.00 0.00 H new ATOM 0 HE2 MET A 74 13.463 5.080 0.689 1.00 0.00 H new ATOM 0 HE3 MET A 74 13.778 6.131 -0.712 1.00 0.00 H new ATOM 1154 N GLU A 75 11.312 7.146 5.512 1.00 0.00 N ATOM 1155 CA GLU A 75 11.529 6.999 6.951 1.00 0.00 C ATOM 1156 C GLU A 75 10.752 5.796 7.465 1.00 0.00 C ATOM 1157 O GLU A 75 11.310 5.007 8.220 1.00 0.00 O ATOM 1158 CB GLU A 75 11.129 8.252 7.756 1.00 0.00 C ATOM 1159 CG GLU A 75 11.996 9.467 7.372 1.00 0.00 C ATOM 1160 CD GLU A 75 11.882 10.695 8.291 1.00 0.00 C ATOM 1161 OE1 GLU A 75 11.007 10.762 9.186 1.00 0.00 O ATOM 1162 OE2 GLU A 75 12.716 11.626 8.128 1.00 0.00 O ATOM 0 H GLU A 75 10.873 8.025 5.238 1.00 0.00 H new ATOM 0 HA GLU A 75 12.600 6.856 7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.079 8.481 7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.234 8.050 8.822 1.00 0.00 H new ATOM 0 HG2 GLU A 75 13.039 9.151 7.349 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.732 9.771 6.359 1.00 0.00 H new ATOM 1169 N PHE A 76 9.502 5.613 7.019 1.00 0.00 N ATOM 1170 CA PHE A 76 8.690 4.468 7.410 1.00 0.00 C ATOM 1171 C PHE A 76 9.432 3.158 7.147 1.00 0.00 C ATOM 1172 O PHE A 76 9.432 2.255 7.989 1.00 0.00 O ATOM 1173 CB PHE A 76 7.363 4.434 6.645 1.00 0.00 C ATOM 1174 CG PHE A 76 6.407 3.419 7.234 1.00 0.00 C ATOM 1175 CD1 PHE A 76 5.674 3.732 8.391 1.00 0.00 C ATOM 1176 CD2 PHE A 76 6.258 2.159 6.628 1.00 0.00 C ATOM 1177 CE1 PHE A 76 4.733 2.807 8.890 1.00 0.00 C ATOM 1178 CE2 PHE A 76 5.323 1.236 7.130 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.535 1.569 8.240 1.00 0.00 C ATOM 0 H PHE A 76 9.033 6.255 6.380 1.00 0.00 H new ATOM 0 HA PHE A 76 8.490 4.574 8.476 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.904 5.422 6.667 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.551 4.193 5.599 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.830 4.674 8.895 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.864 1.899 5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.161 3.047 9.774 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.212 0.270 6.660 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.781 0.883 8.596 1.00 0.00 H new ATOM 1189 N ALA A 77 10.050 3.052 5.974 1.00 0.00 N ATOM 1190 CA ALA A 77 10.744 1.860 5.543 1.00 0.00 C ATOM 1191 C ALA A 77 11.948 1.590 6.455 1.00 0.00 C ATOM 1192 O ALA A 77 12.046 0.515 7.058 1.00 0.00 O ATOM 1193 CB ALA A 77 11.120 2.030 4.071 1.00 0.00 C ATOM 0 H ALA A 77 10.078 3.809 5.291 1.00 0.00 H new ATOM 0 HA ALA A 77 10.107 0.980 5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.646 1.140 3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.216 2.171 3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.767 2.900 3.959 1.00 0.00 H new ATOM 1199 N LYS A 78 12.870 2.554 6.579 1.00 0.00 N ATOM 1200 CA LYS A 78 14.097 2.361 7.349 1.00 0.00 C ATOM 1201 C LYS A 78 13.816 2.261 8.845 1.00 0.00 C ATOM 1202 O LYS A 78 14.583 1.618 9.559 1.00 0.00 O ATOM 1203 CB LYS A 78 15.091 3.497 7.056 1.00 0.00 C ATOM 1204 CG LYS A 78 16.173 3.088 6.037 1.00 0.00 C ATOM 1205 CD LYS A 78 15.938 3.619 4.612 1.00 0.00 C ATOM 1206 CE LYS A 78 17.118 4.469 4.120 1.00 0.00 C ATOM 1207 NZ LYS A 78 17.299 5.718 4.888 1.00 0.00 N ATOM 0 H LYS A 78 12.785 3.477 6.153 1.00 0.00 H new ATOM 0 HA LYS A 78 14.541 1.415 7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.547 4.362 6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.570 3.805 7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.140 3.445 6.390 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.229 2.000 6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.785 2.781 3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.026 4.216 4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.032 3.878 4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.966 4.716 3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.007 6.316 4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.394 6.228 4.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.623 5.490 5.850 1.00 0.00 H new ATOM 1221 N LYS A 79 12.714 2.835 9.323 1.00 0.00 N ATOM 1222 CA LYS A 79 12.209 2.652 10.674 1.00 0.00 C ATOM 1223 C LYS A 79 12.042 1.172 10.979 1.00 0.00 C ATOM 1224 O LYS A 79 12.575 0.709 11.985 1.00 0.00 O ATOM 1225 CB LYS A 79 10.915 3.463 10.817 1.00 0.00 C ATOM 1226 CG LYS A 79 10.014 3.091 12.001 1.00 0.00 C ATOM 1227 CD LYS A 79 8.789 4.015 12.035 1.00 0.00 C ATOM 1228 CE LYS A 79 7.540 3.355 12.633 1.00 0.00 C ATOM 1229 NZ LYS A 79 7.758 2.831 13.988 1.00 0.00 N ATOM 0 H LYS A 79 12.134 3.458 8.761 1.00 0.00 H new ATOM 0 HA LYS A 79 12.916 3.024 11.415 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.178 4.517 10.904 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.338 3.353 9.899 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.695 2.052 11.914 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.571 3.176 12.934 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.032 4.906 12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.565 4.346 11.021 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.728 4.082 12.657 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.220 2.541 11.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.863 2.459 14.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.464 2.068 13.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.102 3.595 14.604 1.00 0.00 H new ATOM 1243 N HIS A 80 11.309 0.442 10.134 1.00 0.00 N ATOM 1244 CA HIS A 80 11.028 -0.960 10.407 1.00 0.00 C ATOM 1245 C HIS A 80 12.274 -1.830 10.203 1.00 0.00 C ATOM 1246 O HIS A 80 12.301 -2.938 10.729 1.00 0.00 O ATOM 1247 CB HIS A 80 9.893 -1.473 9.523 1.00 0.00 C ATOM 1248 CG HIS A 80 8.570 -0.840 9.866 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.270 0.497 9.786 1.00 0.00 N ATOM 1250 CD2 HIS A 80 7.450 -1.483 10.314 1.00 0.00 C ATOM 1251 CE1 HIS A 80 7.020 0.658 10.224 1.00 0.00 C ATOM 1252 NE2 HIS A 80 6.472 -0.517 10.564 1.00 0.00 N ATOM 0 H HIS A 80 10.906 0.798 9.267 1.00 0.00 H new ATOM 0 HA HIS A 80 10.723 -1.029 11.451 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.130 -1.271 8.478 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.814 -2.555 9.629 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.891 1.234 9.452 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.341 -2.549 10.451 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.516 1.610 10.295 1.00 0.00 H new ATOM 1260 N GLY A 81 13.276 -1.359 9.450 1.00 0.00 N ATOM 1261 CA GLY A 81 14.520 -2.077 9.181 1.00 0.00 C ATOM 1262 C GLY A 81 14.777 -2.331 7.693 1.00 0.00 C ATOM 1263 O GLY A 81 15.653 -3.135 7.360 1.00 0.00 O ATOM 0 H GLY A 81 13.239 -0.444 9.001 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.354 -1.508 9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.498 -3.033 9.705 1.00 0.00 H new ATOM 1267 N ALA A 82 14.012 -1.707 6.784 1.00 0.00 N ATOM 1268 CA ALA A 82 14.188 -1.931 5.355 1.00 0.00 C ATOM 1269 C ALA A 82 15.597 -1.545 4.920 1.00 0.00 C ATOM 1270 O ALA A 82 16.137 -0.525 5.357 1.00 0.00 O ATOM 1271 CB ALA A 82 13.198 -1.109 4.533 1.00 0.00 C ATOM 0 H ALA A 82 13.271 -1.047 7.019 1.00 0.00 H new ATOM 0 HA ALA A 82 14.014 -2.992 5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.358 -1.301 3.472 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.180 -1.390 4.803 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.348 -0.049 4.737 1.00 0.00 H new ATOM 1277 N ASP A 83 16.146 -2.340 4.006 1.00 0.00 N ATOM 1278 CA ASP A 83 17.427 -2.081 3.368 1.00 0.00 C ATOM 1279 C ASP A 83 17.351 -0.730 2.656 1.00 0.00 C ATOM 1280 O ASP A 83 16.273 -0.283 2.255 1.00 0.00 O ATOM 1281 CB ASP A 83 17.863 -3.193 2.367 1.00 0.00 C ATOM 1282 CG ASP A 83 17.214 -4.582 2.471 1.00 0.00 C ATOM 1283 OD1 ASP A 83 16.839 -4.990 3.598 1.00 0.00 O ATOM 1284 OD2 ASP A 83 17.035 -5.236 1.413 1.00 0.00 O ATOM 0 H ASP A 83 15.701 -3.199 3.684 1.00 0.00 H new ATOM 0 HA ASP A 83 18.187 -2.072 4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.681 -2.819 1.359 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.940 -3.324 2.469 1.00 0.00 H new ATOM 1289 N GLU A 84 18.499 -0.082 2.490 1.00 0.00 N ATOM 1290 CA GLU A 84 18.659 1.215 1.849 1.00 0.00 C ATOM 1291 C GLU A 84 18.077 1.151 0.428 1.00 0.00 C ATOM 1292 O GLU A 84 17.122 1.859 0.101 1.00 0.00 O ATOM 1293 CB GLU A 84 20.162 1.569 1.918 1.00 0.00 C ATOM 1294 CG GLU A 84 20.474 2.876 2.660 1.00 0.00 C ATOM 1295 CD GLU A 84 20.447 4.096 1.749 1.00 0.00 C ATOM 1296 OE1 GLU A 84 19.378 4.358 1.157 1.00 0.00 O ATOM 1297 OE2 GLU A 84 21.488 4.786 1.643 1.00 0.00 O ATOM 0 H GLU A 84 19.386 -0.467 2.815 1.00 0.00 H new ATOM 0 HA GLU A 84 18.110 2.014 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.693 0.752 2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.553 1.640 0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.751 3.013 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 84 21.457 2.798 3.125 1.00 0.00 H new ATOM 1304 N THR A 85 18.561 0.199 -0.372 1.00 0.00 N ATOM 1305 CA THR A 85 18.172 0.022 -1.767 1.00 0.00 C ATOM 1306 C THR A 85 16.706 -0.385 -1.856 1.00 0.00 C ATOM 1307 O THR A 85 15.985 0.052 -2.746 1.00 0.00 O ATOM 1308 CB THR A 85 19.039 -1.072 -2.409 1.00 0.00 C ATOM 1309 OG1 THR A 85 20.361 -1.002 -1.900 1.00 0.00 O ATOM 1310 CG2 THR A 85 19.015 -0.992 -3.942 1.00 0.00 C ATOM 0 H THR A 85 19.250 -0.485 -0.058 1.00 0.00 H new ATOM 0 HA THR A 85 18.316 0.965 -2.295 1.00 0.00 H new ATOM 0 HB THR A 85 18.619 -2.042 -2.144 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.908 -1.703 -2.312 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.640 -1.782 -4.357 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.992 -1.115 -4.297 1.00 0.00 H new ATOM 0 HG23 THR A 85 19.396 -0.022 -4.262 1.00 0.00 H new ATOM 1318 N MET A 86 16.249 -1.218 -0.918 1.00 0.00 N ATOM 1319 CA MET A 86 14.867 -1.645 -0.844 1.00 0.00 C ATOM 1320 C MET A 86 13.971 -0.422 -0.646 1.00 0.00 C ATOM 1321 O MET A 86 12.991 -0.269 -1.365 1.00 0.00 O ATOM 1322 CB MET A 86 14.729 -2.692 0.275 1.00 0.00 C ATOM 1323 CG MET A 86 13.280 -2.867 0.739 1.00 0.00 C ATOM 1324 SD MET A 86 12.713 -4.549 1.129 1.00 0.00 S ATOM 1325 CE MET A 86 13.539 -4.798 2.711 1.00 0.00 C ATOM 0 H MET A 86 16.840 -1.613 -0.187 1.00 0.00 H new ATOM 0 HA MET A 86 14.547 -2.121 -1.771 1.00 0.00 H new ATOM 0 HB2 MET A 86 15.112 -3.649 -0.078 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.346 -2.396 1.124 1.00 0.00 H new ATOM 0 HG2 MET A 86 13.136 -2.251 1.626 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.629 -2.466 -0.037 1.00 0.00 H new ATOM 0 HE1 MET A 86 13.492 -5.852 2.984 1.00 0.00 H new ATOM 0 HE2 MET A 86 14.582 -4.491 2.629 1.00 0.00 H new ATOM 0 HE3 MET A 86 13.044 -4.202 3.478 1.00 0.00 H new ATOM 1335 N ALA A 87 14.256 0.449 0.319 1.00 0.00 N ATOM 1336 CA ALA A 87 13.438 1.637 0.507 1.00 0.00 C ATOM 1337 C ALA A 87 13.524 2.584 -0.686 1.00 0.00 C ATOM 1338 O ALA A 87 12.520 3.231 -0.990 1.00 0.00 O ATOM 1339 CB ALA A 87 13.765 2.284 1.839 1.00 0.00 C ATOM 0 H ALA A 87 15.034 0.355 0.971 1.00 0.00 H new ATOM 0 HA ALA A 87 12.388 1.347 0.548 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.149 3.173 1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.564 1.578 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.818 2.566 1.858 1.00 0.00 H new ATOM 1345 N GLN A 88 14.661 2.647 -1.385 1.00 0.00 N ATOM 1346 CA GLN A 88 14.705 3.385 -2.629 1.00 0.00 C ATOM 1347 C GLN A 88 13.784 2.752 -3.668 1.00 0.00 C ATOM 1348 O GLN A 88 13.037 3.494 -4.300 1.00 0.00 O ATOM 1349 CB GLN A 88 16.141 3.557 -3.138 1.00 0.00 C ATOM 1350 CG GLN A 88 16.187 4.490 -4.358 1.00 0.00 C ATOM 1351 CD GLN A 88 15.579 5.855 -4.059 1.00 0.00 C ATOM 1352 OE1 GLN A 88 16.229 6.733 -3.505 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.308 6.061 -4.381 1.00 0.00 N ATOM 0 H GLN A 88 15.538 2.204 -1.111 1.00 0.00 H new ATOM 0 HA GLN A 88 14.330 4.391 -2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.766 3.962 -2.342 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.555 2.584 -3.404 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.221 4.617 -4.678 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.651 4.029 -5.187 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.773 5.325 -4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.866 6.955 -4.167 1.00 0.00 H new ATOM 1362 N GLN A 89 13.813 1.430 -3.832 1.00 0.00 N ATOM 1363 CA GLN A 89 12.964 0.692 -4.746 1.00 0.00 C ATOM 1364 C GLN A 89 11.501 1.004 -4.467 1.00 0.00 C ATOM 1365 O GLN A 89 10.783 1.380 -5.386 1.00 0.00 O ATOM 1366 CB GLN A 89 13.280 -0.797 -4.633 1.00 0.00 C ATOM 1367 CG GLN A 89 14.515 -1.150 -5.455 1.00 0.00 C ATOM 1368 CD GLN A 89 14.306 -1.261 -6.961 1.00 0.00 C ATOM 1369 OE1 GLN A 89 13.542 -0.530 -7.585 1.00 0.00 O ATOM 1370 NE2 GLN A 89 15.048 -2.141 -7.605 1.00 0.00 N ATOM 0 H GLN A 89 14.452 0.830 -3.311 1.00 0.00 H new ATOM 0 HA GLN A 89 13.159 0.995 -5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.445 -1.061 -3.588 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.428 -1.382 -4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.279 -0.395 -5.269 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.910 -2.099 -5.092 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.683 -2.749 -7.087 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.987 -2.214 -8.621 1.00 0.00 H new ATOM 1379 N LEU A 90 11.072 0.904 -3.201 1.00 0.00 N ATOM 1380 CA LEU A 90 9.741 1.258 -2.750 1.00 0.00 C ATOM 1381 C LEU A 90 9.311 2.590 -3.325 1.00 0.00 C ATOM 1382 O LEU A 90 8.306 2.640 -4.029 1.00 0.00 O ATOM 1383 CB LEU A 90 9.686 1.265 -1.211 1.00 0.00 C ATOM 1384 CG LEU A 90 9.246 -0.085 -0.648 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.131 -1.277 -0.972 1.00 0.00 C ATOM 1386 CD2 LEU A 90 9.168 -0.056 0.873 1.00 0.00 C ATOM 0 H LEU A 90 11.669 0.563 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 90 9.039 0.507 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.669 1.520 -0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.996 2.040 -0.876 1.00 0.00 H new ATOM 0 HG LEU A 90 8.282 -0.224 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 90 9.713 -2.175 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.183 -1.409 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.133 -1.104 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.852 -1.033 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.149 0.186 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.448 0.700 1.186 1.00 0.00 H new ATOM 1398 N ILE A 91 10.044 3.656 -3.018 1.00 0.00 N ATOM 1399 CA ILE A 91 9.633 4.974 -3.452 1.00 0.00 C ATOM 1400 C ILE A 91 9.806 5.122 -4.962 1.00 0.00 C ATOM 1401 O ILE A 91 9.051 5.880 -5.551 1.00 0.00 O ATOM 1402 CB ILE A 91 10.330 6.070 -2.613 1.00 0.00 C ATOM 1403 CG1 ILE A 91 9.552 6.296 -1.297 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.412 7.404 -3.372 1.00 0.00 C ATOM 1405 CD1 ILE A 91 9.815 5.228 -0.229 1.00 0.00 C ATOM 0 H ILE A 91 10.910 3.629 -2.480 1.00 0.00 H new ATOM 0 HA ILE A 91 8.567 5.106 -3.268 1.00 0.00 H new ATOM 0 HB ILE A 91 11.343 5.727 -2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.817 7.273 -0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.485 6.321 -1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.908 8.148 -2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.980 7.265 -4.292 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.406 7.747 -3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.234 5.456 0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.523 4.250 -0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.876 5.217 0.021 1.00 0.00 H new ATOM 1417 N ASP A 92 10.753 4.454 -5.612 1.00 0.00 N ATOM 1418 CA ASP A 92 10.961 4.633 -7.046 1.00 0.00 C ATOM 1419 C ASP A 92 9.788 4.040 -7.831 1.00 0.00 C ATOM 1420 O ASP A 92 9.260 4.701 -8.728 1.00 0.00 O ATOM 1421 CB ASP A 92 12.303 4.023 -7.463 1.00 0.00 C ATOM 1422 CG ASP A 92 12.798 4.509 -8.826 1.00 0.00 C ATOM 1423 OD1 ASP A 92 12.455 5.629 -9.271 1.00 0.00 O ATOM 1424 OD2 ASP A 92 13.694 3.830 -9.377 1.00 0.00 O ATOM 0 H ASP A 92 11.386 3.787 -5.172 1.00 0.00 H new ATOM 0 HA ASP A 92 10.999 5.698 -7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.052 4.261 -6.708 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.208 2.937 -7.486 1.00 0.00 H new ATOM 1429 N ILE A 93 9.328 2.844 -7.432 1.00 0.00 N ATOM 1430 CA ILE A 93 8.179 2.158 -8.001 1.00 0.00 C ATOM 1431 C ILE A 93 6.930 3.011 -7.725 1.00 0.00 C ATOM 1432 O ILE A 93 6.135 3.290 -8.628 1.00 0.00 O ATOM 1433 CB ILE A 93 8.105 0.734 -7.377 1.00 0.00 C ATOM 1434 CG1 ILE A 93 9.329 -0.148 -7.755 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.815 0.023 -7.815 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.654 -1.321 -6.803 1.00 0.00 C ATOM 0 H ILE A 93 9.768 2.317 -6.677 1.00 0.00 H new ATOM 0 HA ILE A 93 8.257 2.034 -9.081 1.00 0.00 H new ATOM 0 HB ILE A 93 8.111 0.868 -6.295 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.162 -0.555 -8.752 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.207 0.495 -7.816 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.779 -0.971 -7.370 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.951 0.600 -7.485 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.799 -0.065 -8.901 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.526 -1.859 -7.174 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.863 -0.933 -5.806 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.802 -1.999 -6.757 1.00 0.00 H new ATOM 1448 N VAL A 94 6.738 3.409 -6.465 1.00 0.00 N ATOM 1449 CA VAL A 94 5.561 4.143 -6.027 1.00 0.00 C ATOM 1450 C VAL A 94 5.497 5.520 -6.704 1.00 0.00 C ATOM 1451 O VAL A 94 4.454 5.867 -7.258 1.00 0.00 O ATOM 1452 CB VAL A 94 5.542 4.185 -4.484 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.507 5.166 -3.949 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.193 2.793 -3.921 1.00 0.00 C ATOM 0 H VAL A 94 7.406 3.226 -5.716 1.00 0.00 H new ATOM 0 HA VAL A 94 4.648 3.636 -6.339 1.00 0.00 H new ATOM 0 HB VAL A 94 6.536 4.503 -4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.530 5.161 -2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.734 6.168 -4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.515 4.872 -4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.182 2.833 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.210 2.490 -4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.939 2.070 -4.250 1.00 0.00 H new ATOM 1464 N HIS A 95 6.587 6.293 -6.681 1.00 0.00 N ATOM 1465 CA HIS A 95 6.639 7.641 -7.234 1.00 0.00 C ATOM 1466 C HIS A 95 6.396 7.592 -8.757 1.00 0.00 C ATOM 1467 O HIS A 95 5.838 8.525 -9.341 1.00 0.00 O ATOM 1468 CB HIS A 95 7.998 8.300 -6.950 1.00 0.00 C ATOM 1469 CG HIS A 95 8.170 9.697 -7.506 1.00 0.00 C ATOM 1470 ND1 HIS A 95 9.376 10.263 -7.850 1.00 0.00 N ATOM 1471 CD2 HIS A 95 7.188 10.605 -7.819 1.00 0.00 C ATOM 1472 CE1 HIS A 95 9.128 11.453 -8.408 1.00 0.00 C ATOM 1473 NE2 HIS A 95 7.808 11.709 -8.418 1.00 0.00 N ATOM 0 H HIS A 95 7.470 5.991 -6.270 1.00 0.00 H new ATOM 0 HA HIS A 95 5.860 8.236 -6.757 1.00 0.00 H new ATOM 0 HB2 HIS A 95 8.147 8.336 -5.871 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.784 7.665 -7.359 1.00 0.00 H new ATOM 0 HD2 HIS A 95 6.130 10.489 -7.636 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.885 12.118 -8.797 1.00 0.00 H new ATOM 0 HE2 HIS A 95 7.349 12.542 -8.788 1.00 0.00 H new ATOM 1481 N GLY A 96 6.827 6.513 -9.420 1.00 0.00 N ATOM 1482 CA GLY A 96 6.520 6.265 -10.819 1.00 0.00 C ATOM 1483 C GLY A 96 5.012 6.110 -10.989 1.00 0.00 C ATOM 1484 O GLY A 96 4.363 6.916 -11.666 1.00 0.00 O ATOM 0 H GLY A 96 7.402 5.787 -8.992 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.883 7.089 -11.434 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.030 5.364 -11.160 1.00 0.00 H new ATOM 1488 N CYS A 97 4.441 5.081 -10.360 1.00 0.00 N ATOM 1489 CA CYS A 97 3.021 4.774 -10.460 1.00 0.00 C ATOM 1490 C CYS A 97 2.119 5.909 -9.986 1.00 0.00 C ATOM 1491 O CYS A 97 1.024 5.970 -10.527 1.00 0.00 O ATOM 1492 CB CYS A 97 2.705 3.452 -9.764 1.00 0.00 C ATOM 1493 SG CYS A 97 3.071 1.998 -10.782 1.00 0.00 S ATOM 0 H CYS A 97 4.958 4.435 -9.764 1.00 0.00 H new ATOM 0 HA CYS A 97 2.796 4.661 -11.521 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.277 3.391 -8.838 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.650 3.438 -9.489 1.00 0.00 H new ATOM 1498 N GLU A 98 2.532 6.852 -9.125 1.00 0.00 N ATOM 1499 CA GLU A 98 1.694 8.003 -8.744 1.00 0.00 C ATOM 1500 C GLU A 98 1.070 8.706 -9.969 1.00 0.00 C ATOM 1501 O GLU A 98 -0.001 9.297 -9.853 1.00 0.00 O ATOM 1502 CB GLU A 98 2.470 9.051 -7.909 1.00 0.00 C ATOM 1503 CG GLU A 98 2.270 9.007 -6.378 1.00 0.00 C ATOM 1504 CD GLU A 98 2.420 10.406 -5.740 1.00 0.00 C ATOM 1505 OE1 GLU A 98 3.350 11.146 -6.134 1.00 0.00 O ATOM 1506 OE2 GLU A 98 1.571 10.814 -4.911 1.00 0.00 O ATOM 0 H GLU A 98 3.448 6.840 -8.676 1.00 0.00 H new ATOM 0 HA GLU A 98 0.897 7.583 -8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.533 8.931 -8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.187 10.043 -8.260 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.281 8.608 -6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.997 8.326 -5.936 1.00 0.00 H new ATOM 1513 N LYS A 99 1.691 8.633 -11.149 1.00 0.00 N ATOM 1514 CA LYS A 99 1.179 9.194 -12.391 1.00 0.00 C ATOM 1515 C LYS A 99 1.227 8.205 -13.553 1.00 0.00 C ATOM 1516 O LYS A 99 0.342 8.249 -14.413 1.00 0.00 O ATOM 1517 CB LYS A 99 1.897 10.513 -12.696 1.00 0.00 C ATOM 1518 CG LYS A 99 3.429 10.596 -12.514 1.00 0.00 C ATOM 1519 CD LYS A 99 3.865 10.728 -11.041 1.00 0.00 C ATOM 1520 CE LYS A 99 5.128 11.574 -10.848 1.00 0.00 C ATOM 1521 NZ LYS A 99 6.348 10.910 -11.349 1.00 0.00 N ATOM 0 H LYS A 99 2.591 8.167 -11.264 1.00 0.00 H new ATOM 0 HA LYS A 99 0.119 9.409 -12.258 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.675 10.776 -13.730 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.450 11.283 -12.068 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.887 9.704 -12.942 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.808 11.450 -13.075 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.050 11.171 -10.468 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.038 9.733 -10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.002 12.527 -11.362 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.251 11.797 -9.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.172 11.521 -11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.479 10.005 -10.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.254 10.736 -12.370 1.00 0.00 H new ATOM 1535 N SER A 100 2.190 7.277 -13.563 1.00 0.00 N ATOM 1536 CA SER A 100 2.261 6.236 -14.583 1.00 0.00 C ATOM 1537 C SER A 100 0.999 5.376 -14.569 1.00 0.00 C ATOM 1538 O SER A 100 0.466 5.079 -15.638 1.00 0.00 O ATOM 1539 CB SER A 100 3.534 5.394 -14.428 1.00 0.00 C ATOM 1540 OG SER A 100 4.036 4.976 -15.691 1.00 0.00 O ATOM 0 H SER A 100 2.935 7.230 -12.868 1.00 0.00 H new ATOM 0 HA SER A 100 2.316 6.717 -15.560 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.295 5.975 -13.906 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.322 4.520 -13.812 1.00 0.00 H new ATOM 0 HG SER A 100 4.848 4.443 -15.560 1.00 0.00 H new ATOM 1546 N THR A 101 0.475 5.042 -13.389 1.00 0.00 N ATOM 1547 CA THR A 101 -0.826 4.411 -13.264 1.00 0.00 C ATOM 1548 C THR A 101 -1.897 5.390 -13.784 1.00 0.00 C ATOM 1549 O THR A 101 -2.029 6.496 -13.247 1.00 0.00 O ATOM 1550 CB THR A 101 -1.020 4.049 -11.794 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.074 3.063 -11.422 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.400 3.507 -11.473 1.00 0.00 C ATOM 0 H THR A 101 0.945 5.204 -12.498 1.00 0.00 H new ATOM 0 HA THR A 101 -0.908 3.499 -13.855 1.00 0.00 H new ATOM 0 HB THR A 101 -0.890 4.977 -11.238 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.380 2.605 -10.612 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.461 3.273 -10.410 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.152 4.255 -11.723 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.580 2.603 -12.055 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.645 5.046 -14.846 1.00 0.00 N ATOM 1561 CA PRO A 102 -3.856 5.768 -15.200 1.00 0.00 C ATOM 1562 C PRO A 102 -4.968 5.415 -14.219 1.00 0.00 C ATOM 1563 O PRO A 102 -5.090 4.261 -13.798 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.214 5.324 -16.618 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.219 4.216 -16.976 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.534 3.853 -15.665 1.00 0.00 C ATOM 0 HA PRO A 102 -3.717 6.848 -15.157 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.240 4.958 -16.665 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.140 6.156 -17.318 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.728 3.353 -17.406 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.496 4.560 -17.716 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.018 3.000 -15.189 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.491 3.579 -15.826 1.00 0.00 H new ATOM 1574 N ALA A 103 -5.815 6.390 -13.905 1.00 0.00 N ATOM 1575 CA ALA A 103 -6.991 6.204 -13.078 1.00 0.00 C ATOM 1576 C ALA A 103 -8.106 7.144 -13.541 1.00 0.00 C ATOM 1577 O ALA A 103 -7.989 7.830 -14.561 1.00 0.00 O ATOM 1578 CB ALA A 103 -6.603 6.408 -11.608 1.00 0.00 C ATOM 0 H ALA A 103 -5.696 7.350 -14.228 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.379 5.190 -13.177 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.481 6.270 -10.977 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.839 5.682 -11.329 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.213 7.417 -11.471 1.00 0.00 H new ATOM 1584 N ASN A 104 -9.205 7.149 -12.797 1.00 0.00 N ATOM 1585 CA ASN A 104 -10.062 8.326 -12.646 1.00 0.00 C ATOM 1586 C ASN A 104 -9.623 9.018 -11.358 1.00 0.00 C ATOM 1587 O ASN A 104 -8.929 8.408 -10.546 1.00 0.00 O ATOM 1588 CB ASN A 104 -11.576 8.021 -12.618 1.00 0.00 C ATOM 1589 CG ASN A 104 -11.900 6.545 -12.581 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -12.223 5.901 -13.574 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -11.707 5.937 -11.432 1.00 0.00 N ATOM 0 H ASN A 104 -9.531 6.334 -12.277 1.00 0.00 H new ATOM 0 HA ASN A 104 -9.938 8.960 -13.524 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -12.018 8.503 -11.746 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -12.043 8.464 -13.498 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -11.826 4.926 -11.364 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -11.439 6.476 -10.609 1.00 0.00 H new ATOM 1598 N ASP A 105 -10.079 10.246 -11.114 1.00 0.00 N ATOM 1599 CA ASP A 105 -9.759 11.032 -9.909 1.00 0.00 C ATOM 1600 C ASP A 105 -10.367 10.467 -8.620 1.00 0.00 C ATOM 1601 O ASP A 105 -10.260 11.046 -7.539 1.00 0.00 O ATOM 1602 CB ASP A 105 -10.193 12.468 -10.113 1.00 0.00 C ATOM 1603 CG ASP A 105 -9.383 13.454 -9.268 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -8.131 13.455 -9.357 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -9.980 14.274 -8.538 1.00 0.00 O ATOM 0 H ASP A 105 -10.696 10.739 -11.760 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.679 10.976 -9.775 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -10.090 12.728 -11.166 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -11.250 12.563 -9.863 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.037 9.322 -8.731 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.355 8.451 -7.604 1.00 0.00 C ATOM 1612 C ASP A 106 -10.023 8.051 -6.963 1.00 0.00 C ATOM 1613 O ASP A 106 -9.388 7.096 -7.406 1.00 0.00 O ATOM 1614 CB ASP A 106 -12.159 7.206 -8.050 1.00 0.00 C ATOM 1615 CG ASP A 106 -13.505 7.037 -7.354 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -14.493 7.647 -7.817 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -13.652 6.177 -6.455 1.00 0.00 O ATOM 0 H ASP A 106 -11.380 8.968 -9.624 1.00 0.00 H new ATOM 0 HA ASP A 106 -11.989 8.974 -6.888 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.326 7.264 -9.126 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.556 6.316 -7.868 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.556 8.758 -5.933 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.333 8.427 -5.219 1.00 0.00 C ATOM 1624 C LYS A 107 -8.331 7.012 -4.667 1.00 0.00 C ATOM 1625 O LYS A 107 -7.257 6.427 -4.547 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.062 9.488 -4.146 1.00 0.00 C ATOM 1627 CG LYS A 107 -7.081 10.537 -4.667 1.00 0.00 C ATOM 1628 CD LYS A 107 -7.382 11.237 -6.003 1.00 0.00 C ATOM 1629 CE LYS A 107 -6.068 11.758 -6.593 1.00 0.00 C ATOM 1630 NZ LYS A 107 -5.562 12.937 -5.851 1.00 0.00 N ATOM 0 H LYS A 107 -10.027 9.587 -5.570 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.508 8.442 -5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -8.997 9.968 -3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.656 9.014 -3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.988 11.310 -3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.105 10.060 -4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -7.857 10.542 -6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.080 12.060 -5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.320 10.966 -6.571 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.219 12.024 -7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.672 13.261 -6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.265 13.702 -5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.394 12.676 -4.858 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.516 6.434 -4.444 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.650 5.017 -4.180 1.00 0.00 C ATOM 1646 C CYS A 108 -9.009 4.240 -5.325 1.00 0.00 C ATOM 1647 O CYS A 108 -8.059 3.504 -5.101 1.00 0.00 O ATOM 1648 CB CYS A 108 -11.121 4.607 -4.002 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.159 5.626 -2.929 1.00 0.00 S ATOM 0 H CYS A 108 -10.400 6.942 -4.444 1.00 0.00 H new ATOM 0 HA CYS A 108 -9.142 4.785 -3.244 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.583 4.582 -4.989 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.140 3.588 -3.616 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.518 4.418 -6.547 1.00 0.00 N ATOM 1655 CA ILE A 109 -9.106 3.711 -7.757 1.00 0.00 C ATOM 1656 C ILE A 109 -7.631 3.991 -8.050 1.00 0.00 C ATOM 1657 O ILE A 109 -6.899 3.070 -8.403 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.004 4.138 -8.927 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.454 3.682 -8.673 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.496 3.652 -10.297 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -11.761 2.210 -8.945 1.00 0.00 C ATOM 0 H ILE A 109 -10.263 5.091 -6.725 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.217 2.636 -7.615 1.00 0.00 H new ATOM 0 HB ILE A 109 -9.972 5.227 -8.972 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -11.702 3.896 -7.634 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.116 4.289 -9.291 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.177 3.989 -11.078 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.502 4.060 -10.482 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.448 2.563 -10.302 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -12.811 2.012 -8.730 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -11.556 1.983 -9.991 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.136 1.584 -8.308 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.202 5.249 -7.939 1.00 0.00 N ATOM 1674 CA TRP A 110 -5.836 5.662 -8.136 1.00 0.00 C ATOM 1675 C TRP A 110 -4.891 4.878 -7.225 1.00 0.00 C ATOM 1676 O TRP A 110 -4.069 4.117 -7.738 1.00 0.00 O ATOM 1677 CB TRP A 110 -5.768 7.177 -7.950 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.405 7.719 -8.066 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.646 7.665 -9.172 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.619 8.374 -7.042 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.440 8.284 -8.915 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.374 8.747 -7.617 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -3.842 8.684 -5.687 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.395 9.422 -6.879 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -2.868 9.375 -4.949 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -1.642 9.732 -5.535 1.00 0.00 C ATOM 0 H TRP A 110 -7.824 6.022 -7.702 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.498 5.435 -9.147 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.406 7.656 -8.693 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.171 7.434 -6.970 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -3.932 7.211 -10.109 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.691 8.387 -9.599 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -4.767 8.389 -5.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.459 9.701 -7.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -3.063 9.635 -3.919 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.892 10.244 -4.951 1.00 0.00 H new ATOM 1697 N THR A 111 -5.029 4.994 -5.900 1.00 0.00 N ATOM 1698 CA THR A 111 -4.175 4.260 -4.974 1.00 0.00 C ATOM 1699 C THR A 111 -4.308 2.740 -5.176 1.00 0.00 C ATOM 1700 O THR A 111 -3.305 2.038 -5.079 1.00 0.00 O ATOM 1701 CB THR A 111 -4.487 4.711 -3.541 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.145 6.070 -3.371 1.00 0.00 O ATOM 1703 CG2 THR A 111 -3.688 3.910 -2.511 1.00 0.00 C ATOM 0 H THR A 111 -5.724 5.589 -5.450 1.00 0.00 H new ATOM 0 HA THR A 111 -3.128 4.487 -5.174 1.00 0.00 H new ATOM 0 HB THR A 111 -5.554 4.551 -3.386 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.350 6.347 -2.454 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.936 4.258 -1.508 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.937 2.852 -2.600 1.00 0.00 H new ATOM 0 HG23 THR A 111 -2.622 4.048 -2.690 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.491 2.216 -5.531 1.00 0.00 N ATOM 1712 CA LEU A 112 -5.672 0.835 -5.965 1.00 0.00 C ATOM 1713 C LEU A 112 -4.674 0.489 -7.060 1.00 0.00 C ATOM 1714 O LEU A 112 -3.922 -0.472 -6.937 1.00 0.00 O ATOM 1715 CB LEU A 112 -7.114 0.625 -6.441 1.00 0.00 C ATOM 1716 CG LEU A 112 -7.706 -0.740 -6.104 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -9.208 -0.625 -5.905 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -7.600 -1.724 -7.254 1.00 0.00 C ATOM 0 H LEU A 112 -6.358 2.753 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.488 0.167 -5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.744 1.398 -6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.149 0.764 -7.522 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.156 -1.074 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.619 -1.605 -5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.415 0.065 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.669 -0.252 -6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.037 -2.678 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.136 -1.332 -8.119 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.551 -1.870 -7.513 1.00 0.00 H new ATOM 1730 N GLY A 113 -4.644 1.279 -8.130 1.00 0.00 N ATOM 1731 CA GLY A 113 -3.787 1.041 -9.271 1.00 0.00 C ATOM 1732 C GLY A 113 -2.312 1.106 -8.879 1.00 0.00 C ATOM 1733 O GLY A 113 -1.556 0.201 -9.241 1.00 0.00 O ATOM 0 H GLY A 113 -5.225 2.112 -8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.009 0.063 -9.698 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.993 1.781 -10.044 1.00 0.00 H new ATOM 1737 N VAL A 114 -1.907 2.129 -8.118 1.00 0.00 N ATOM 1738 CA VAL A 114 -0.531 2.292 -7.650 1.00 0.00 C ATOM 1739 C VAL A 114 -0.138 1.066 -6.818 1.00 0.00 C ATOM 1740 O VAL A 114 0.889 0.434 -7.064 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.377 3.627 -6.873 1.00 0.00 C ATOM 1742 CG1 VAL A 114 1.055 3.830 -6.348 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -0.718 4.843 -7.749 1.00 0.00 C ATOM 0 H VAL A 114 -2.533 2.872 -7.808 1.00 0.00 H new ATOM 0 HA VAL A 114 0.154 2.352 -8.496 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.075 3.555 -6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 114 1.115 4.777 -5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.315 3.014 -5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.751 3.844 -7.186 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -0.597 5.756 -7.167 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.050 4.870 -8.610 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.749 4.766 -8.093 1.00 0.00 H new ATOM 1753 N ALA A 115 -0.965 0.663 -5.856 1.00 0.00 N ATOM 1754 CA ALA A 115 -0.639 -0.448 -4.981 1.00 0.00 C ATOM 1755 C ALA A 115 -0.743 -1.808 -5.700 1.00 0.00 C ATOM 1756 O ALA A 115 -0.183 -2.792 -5.211 1.00 0.00 O ATOM 1757 CB ALA A 115 -1.520 -0.350 -3.739 1.00 0.00 C ATOM 0 H ALA A 115 -1.869 1.095 -5.666 1.00 0.00 H new ATOM 0 HA ALA A 115 0.405 -0.385 -4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.292 -1.176 -3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.329 0.595 -3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -2.569 -0.399 -4.032 1.00 0.00 H new ATOM 1763 N THR A 116 -1.406 -1.880 -6.858 1.00 0.00 N ATOM 1764 CA THR A 116 -1.554 -3.075 -7.681 1.00 0.00 C ATOM 1765 C THR A 116 -0.394 -3.215 -8.675 1.00 0.00 C ATOM 1766 O THR A 116 0.092 -4.338 -8.855 1.00 0.00 O ATOM 1767 CB THR A 116 -2.926 -3.018 -8.374 1.00 0.00 C ATOM 1768 OG1 THR A 116 -3.934 -3.037 -7.382 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.200 -4.181 -9.318 1.00 0.00 C ATOM 0 H THR A 116 -1.874 -1.068 -7.262 1.00 0.00 H new ATOM 0 HA THR A 116 -1.514 -3.968 -7.057 1.00 0.00 H new ATOM 0 HB THR A 116 -2.925 -2.105 -8.970 1.00 0.00 H new ATOM 0 HG1 THR A 116 -3.950 -2.175 -6.916 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.188 -4.063 -9.764 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.446 -4.196 -10.105 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.163 -5.118 -8.762 1.00 0.00 H new ATOM 1777 N CYS A 117 0.096 -2.117 -9.279 1.00 0.00 N ATOM 1778 CA CYS A 117 1.339 -2.163 -10.047 1.00 0.00 C ATOM 1779 C CYS A 117 2.442 -2.620 -9.088 1.00 0.00 C ATOM 1780 O CYS A 117 3.194 -3.547 -9.389 1.00 0.00 O ATOM 1781 CB CYS A 117 1.685 -0.814 -10.725 1.00 0.00 C ATOM 1782 SG CYS A 117 2.417 0.458 -9.645 1.00 0.00 S ATOM 0 H CYS A 117 -0.349 -1.200 -9.247 1.00 0.00 H new ATOM 0 HA CYS A 117 1.231 -2.864 -10.875 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.377 -1.009 -11.544 1.00 0.00 H new ATOM 0 HB3 CYS A 117 0.775 -0.408 -11.166 1.00 0.00 H new ATOM 1787 N PHE A 118 2.487 -2.006 -7.903 1.00 0.00 N ATOM 1788 CA PHE A 118 3.462 -2.268 -6.871 1.00 0.00 C ATOM 1789 C PHE A 118 3.386 -3.730 -6.444 1.00 0.00 C ATOM 1790 O PHE A 118 4.435 -4.362 -6.427 1.00 0.00 O ATOM 1791 CB PHE A 118 3.252 -1.250 -5.748 1.00 0.00 C ATOM 1792 CG PHE A 118 4.177 -1.357 -4.558 1.00 0.00 C ATOM 1793 CD1 PHE A 118 5.444 -0.744 -4.594 1.00 0.00 C ATOM 1794 CD2 PHE A 118 3.752 -2.017 -3.388 1.00 0.00 C ATOM 1795 CE1 PHE A 118 6.289 -0.805 -3.479 1.00 0.00 C ATOM 1796 CE2 PHE A 118 4.607 -2.078 -2.272 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.874 -1.475 -2.316 1.00 0.00 C ATOM 0 H PHE A 118 1.814 -1.287 -7.638 1.00 0.00 H new ATOM 0 HA PHE A 118 4.484 -2.135 -7.225 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.354 -0.250 -6.170 1.00 0.00 H new ATOM 0 HB3 PHE A 118 2.226 -1.342 -5.392 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.765 -0.225 -5.485 1.00 0.00 H new ATOM 0 HD2 PHE A 118 2.774 -2.474 -3.348 1.00 0.00 H new ATOM 0 HE1 PHE A 118 7.261 -0.336 -3.513 1.00 0.00 H new ATOM 0 HE2 PHE A 118 4.287 -2.591 -1.377 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.528 -1.526 -1.458 1.00 0.00 H new ATOM 1807 N LYS A 119 2.189 -4.304 -6.204 1.00 0.00 N ATOM 1808 CA LYS A 119 2.019 -5.736 -5.893 1.00 0.00 C ATOM 1809 C LYS A 119 2.868 -6.599 -6.822 1.00 0.00 C ATOM 1810 O LYS A 119 3.664 -7.399 -6.339 1.00 0.00 O ATOM 1811 CB LYS A 119 0.546 -6.193 -5.977 1.00 0.00 C ATOM 1812 CG LYS A 119 0.389 -7.625 -5.418 1.00 0.00 C ATOM 1813 CD LYS A 119 -0.945 -8.298 -5.770 1.00 0.00 C ATOM 1814 CE LYS A 119 -0.791 -9.151 -7.040 1.00 0.00 C ATOM 1815 NZ LYS A 119 -2.011 -9.923 -7.350 1.00 0.00 N ATOM 0 H LYS A 119 1.311 -3.785 -6.221 1.00 0.00 H new ATOM 0 HA LYS A 119 2.351 -5.865 -4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -0.086 -5.506 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.208 -6.162 -7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.204 -8.241 -5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 119 0.491 -7.592 -4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.275 -8.924 -4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.714 -7.540 -5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.550 -8.503 -7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.047 -9.836 -6.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.858 -10.482 -8.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.228 -10.562 -6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.807 -9.270 -7.496 1.00 0.00 H new ATOM 1829 N ALA A 120 2.695 -6.459 -8.138 1.00 0.00 N ATOM 1830 CA ALA A 120 3.381 -7.308 -9.101 1.00 0.00 C ATOM 1831 C ALA A 120 4.903 -7.220 -8.929 1.00 0.00 C ATOM 1832 O ALA A 120 5.578 -8.246 -8.988 1.00 0.00 O ATOM 1833 CB ALA A 120 2.931 -6.943 -10.517 1.00 0.00 C ATOM 0 H ALA A 120 2.082 -5.761 -8.558 1.00 0.00 H new ATOM 0 HA ALA A 120 3.113 -8.349 -8.921 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.445 -7.579 -11.237 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.855 -7.090 -10.606 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.172 -5.899 -10.718 1.00 0.00 H new ATOM 1839 N GLU A 121 5.448 -6.031 -8.650 1.00 0.00 N ATOM 1840 CA GLU A 121 6.879 -5.854 -8.403 1.00 0.00 C ATOM 1841 C GLU A 121 7.333 -6.682 -7.213 1.00 0.00 C ATOM 1842 O GLU A 121 8.421 -7.242 -7.259 1.00 0.00 O ATOM 1843 CB GLU A 121 7.248 -4.397 -8.101 1.00 0.00 C ATOM 1844 CG GLU A 121 6.800 -3.413 -9.173 1.00 0.00 C ATOM 1845 CD GLU A 121 7.492 -3.641 -10.514 1.00 0.00 C ATOM 1846 OE1 GLU A 121 8.741 -3.564 -10.601 1.00 0.00 O ATOM 1847 OE2 GLU A 121 6.773 -3.962 -11.484 1.00 0.00 O ATOM 0 H GLU A 121 4.909 -5.167 -8.590 1.00 0.00 H new ATOM 0 HA GLU A 121 7.374 -6.175 -9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.803 -4.109 -7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.329 -4.323 -7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.722 -3.496 -9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.002 -2.397 -8.834 1.00 0.00 H new ATOM 1854 N ILE A 122 6.531 -6.751 -6.147 1.00 0.00 N ATOM 1855 CA ILE A 122 6.906 -7.443 -4.914 1.00 0.00 C ATOM 1856 C ILE A 122 7.192 -8.910 -5.246 1.00 0.00 C ATOM 1857 O ILE A 122 8.280 -9.400 -4.947 1.00 0.00 O ATOM 1858 CB ILE A 122 5.823 -7.298 -3.811 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.184 -5.904 -3.777 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.366 -7.596 -2.415 1.00 0.00 C ATOM 1861 CD1 ILE A 122 6.169 -4.721 -3.737 1.00 0.00 C ATOM 0 H ILE A 122 5.603 -6.328 -6.116 1.00 0.00 H new ATOM 0 HA ILE A 122 7.806 -6.984 -4.504 1.00 0.00 H new ATOM 0 HB ILE A 122 5.066 -8.035 -4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 122 4.548 -5.794 -4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 122 4.535 -5.843 -2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.568 -7.480 -1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.743 -8.618 -2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.175 -6.903 -2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 122 5.612 -3.784 -3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 122 6.790 -4.795 -2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 122 6.803 -4.745 -4.623 1.00 0.00 H new ATOM 1873 N HIS A 123 6.261 -9.566 -5.947 1.00 0.00 N ATOM 1874 CA HIS A 123 6.414 -10.940 -6.409 1.00 0.00 C ATOM 1875 C HIS A 123 7.649 -11.083 -7.301 1.00 0.00 C ATOM 1876 O HIS A 123 8.442 -12.013 -7.133 1.00 0.00 O ATOM 1877 CB HIS A 123 5.157 -11.378 -7.168 1.00 0.00 C ATOM 1878 CG HIS A 123 3.905 -11.454 -6.330 1.00 0.00 C ATOM 1879 ND1 HIS A 123 3.535 -12.508 -5.529 1.00 0.00 N ATOM 1880 CD2 HIS A 123 2.923 -10.506 -6.238 1.00 0.00 C ATOM 1881 CE1 HIS A 123 2.341 -12.213 -4.987 1.00 0.00 C ATOM 1882 NE2 HIS A 123 1.911 -11.013 -5.415 1.00 0.00 N ATOM 0 H HIS A 123 5.369 -9.147 -6.210 1.00 0.00 H new ATOM 0 HA HIS A 123 6.549 -11.583 -5.540 1.00 0.00 H new ATOM 0 HB2 HIS A 123 4.985 -10.683 -7.990 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.340 -12.357 -7.611 1.00 0.00 H new ATOM 0 HD1 HIS A 123 4.071 -13.362 -5.374 1.00 0.00 H new ATOM 0 HD2 HIS A 123 2.928 -9.538 -6.716 1.00 0.00 H new ATOM 0 HE1 HIS A 123 1.802 -12.851 -4.303 1.00 0.00 H new ATOM 1890 N LYS A 124 7.840 -10.157 -8.248 1.00 0.00 N ATOM 1891 CA LYS A 124 8.987 -10.168 -9.154 1.00 0.00 C ATOM 1892 C LYS A 124 10.302 -9.971 -8.390 1.00 0.00 C ATOM 1893 O LYS A 124 11.330 -10.491 -8.818 1.00 0.00 O ATOM 1894 CB LYS A 124 8.779 -9.108 -10.250 1.00 0.00 C ATOM 1895 CG LYS A 124 7.552 -9.437 -11.129 1.00 0.00 C ATOM 1896 CD LYS A 124 6.985 -8.224 -11.878 1.00 0.00 C ATOM 1897 CE LYS A 124 7.333 -8.180 -13.368 1.00 0.00 C ATOM 1898 NZ LYS A 124 6.428 -9.001 -14.206 1.00 0.00 N ATOM 0 H LYS A 124 7.200 -9.378 -8.405 1.00 0.00 H new ATOM 0 HA LYS A 124 9.061 -11.144 -9.634 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.647 -8.129 -9.790 1.00 0.00 H new ATOM 0 HB3 LYS A 124 9.670 -9.049 -10.875 1.00 0.00 H new ATOM 0 HG2 LYS A 124 7.830 -10.202 -11.854 1.00 0.00 H new ATOM 0 HG3 LYS A 124 6.770 -9.863 -10.500 1.00 0.00 H new ATOM 0 HD2 LYS A 124 5.900 -8.221 -11.771 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.355 -7.315 -11.404 1.00 0.00 H new ATOM 0 HE2 LYS A 124 7.297 -7.146 -13.712 1.00 0.00 H new ATOM 0 HE3 LYS A 124 8.357 -8.526 -13.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 6.717 -8.929 -15.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 6.479 -9.994 -13.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 5.452 -8.657 -14.103 1.00 0.00 H new ATOM 1912 N LEU A 125 10.307 -9.218 -7.286 1.00 0.00 N ATOM 1913 CA LEU A 125 11.424 -9.031 -6.352 1.00 0.00 C ATOM 1914 C LEU A 125 11.517 -10.182 -5.342 1.00 0.00 C ATOM 1915 O LEU A 125 12.456 -10.210 -4.545 1.00 0.00 O ATOM 1916 CB LEU A 125 11.294 -7.684 -5.603 1.00 0.00 C ATOM 1917 CG LEU A 125 11.618 -6.441 -6.457 1.00 0.00 C ATOM 1918 CD1 LEU A 125 10.960 -5.157 -5.947 1.00 0.00 C ATOM 1919 CD2 LEU A 125 13.130 -6.199 -6.455 1.00 0.00 C ATOM 0 H LEU A 125 9.482 -8.690 -7.002 1.00 0.00 H new ATOM 0 HA LEU A 125 12.340 -9.023 -6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.277 -7.592 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 125 11.958 -7.698 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 125 11.229 -6.655 -7.452 1.00 0.00 H new ATOM 0 HD11 LEU A 125 11.233 -4.325 -6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.877 -5.278 -5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.301 -4.952 -4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.359 -5.321 -7.059 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.471 -6.036 -5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.638 -7.068 -6.872 1.00 0.00 H new ATOM 1931 N ASN A 126 10.581 -11.133 -5.384 1.00 0.00 N ATOM 1932 CA ASN A 126 10.428 -12.282 -4.497 1.00 0.00 C ATOM 1933 C ASN A 126 10.133 -11.909 -3.035 1.00 0.00 C ATOM 1934 O ASN A 126 10.326 -12.707 -2.114 1.00 0.00 O ATOM 1935 CB ASN A 126 11.612 -13.250 -4.657 1.00 0.00 C ATOM 1936 CG ASN A 126 11.122 -14.669 -4.456 1.00 0.00 C ATOM 1937 OD1 ASN A 126 11.271 -15.260 -3.394 1.00 0.00 O ATOM 1938 ND2 ASN A 126 10.451 -15.212 -5.452 1.00 0.00 N ATOM 0 H ASN A 126 9.853 -11.115 -6.098 1.00 0.00 H new ATOM 0 HA ASN A 126 9.528 -12.810 -4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 126 12.055 -13.142 -5.647 1.00 0.00 H new ATOM 0 HB3 ASN A 126 12.391 -13.015 -3.932 1.00 0.00 H new ATOM 0 HD21 ASN A 126 10.044 -16.141 -5.346 1.00 0.00 H new ATOM 0 HD22 ASN A 126 10.338 -14.703 -6.329 1.00 0.00 H new ATOM 1945 N TRP A 127 9.676 -10.684 -2.798 1.00 0.00 N ATOM 1946 CA TRP A 127 9.454 -10.048 -1.506 1.00 0.00 C ATOM 1947 C TRP A 127 8.155 -10.509 -0.802 1.00 0.00 C ATOM 1948 O TRP A 127 7.586 -9.749 -0.010 1.00 0.00 O ATOM 1949 CB TRP A 127 9.515 -8.532 -1.737 1.00 0.00 C ATOM 1950 CG TRP A 127 10.845 -7.882 -1.941 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.058 -8.481 -1.951 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.097 -6.459 -2.132 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.036 -7.511 -2.014 1.00 0.00 N ATOM 1954 CE2 TRP A 127 12.504 -6.249 -2.180 1.00 0.00 C ATOM 1955 CE3 TRP A 127 10.278 -5.322 -2.275 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.065 -4.972 -2.343 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 10.827 -4.060 -2.515 1.00 0.00 C ATOM 1958 CH2 TRP A 127 12.214 -3.866 -2.512 1.00 0.00 C ATOM 0 H TRP A 127 9.432 -10.061 -3.568 1.00 0.00 H new ATOM 0 HA TRP A 127 10.232 -10.353 -0.806 1.00 0.00 H new ATOM 0 HB2 TRP A 127 8.902 -8.307 -2.610 1.00 0.00 H new ATOM 0 HB3 TRP A 127 9.041 -8.050 -0.882 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.232 -9.546 -1.915 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.035 -7.704 -1.946 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.206 -5.428 -2.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.137 -4.841 -2.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 10.173 -3.222 -2.706 1.00 0.00 H new ATOM 0 HH2 TRP A 127 12.626 -2.876 -2.638 1.00 0.00 H new ATOM 1969 N ALA A 128 7.783 -11.782 -0.966 1.00 0.00 N ATOM 1970 CA ALA A 128 6.480 -12.444 -0.852 1.00 0.00 C ATOM 1971 C ALA A 128 5.864 -12.578 -2.239 1.00 0.00 C ATOM 1972 O ALA A 128 4.913 -13.391 -2.351 1.00 0.00 O ATOM 1973 CB ALA A 128 5.497 -11.734 0.095 1.00 0.00 C ATOM 0 H ALA A 128 8.493 -12.470 -1.218 1.00 0.00 H new ATOM 0 HA ALA A 128 6.663 -13.423 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.557 -12.286 0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.924 -11.691 1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.312 -10.722 -0.265 1.00 0.00 H new