USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 781 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 43 SER OG : rot 150:sc= 0 USER MOD Set 1.2: A 44 SER OG : rot 33:sc= 0.682 USER MOD Set 1.3: A 47 THR OG1 : rot 20:sc= 1.37 USER MOD Set 2.1: A 23 MET CE :methyl -145:sc= -0.393 (180deg=-1.06) USER MOD Set 2.2: A 38 ASN : amide:sc= -1.76 K(o=-2.2,f=-1.4!) USER MOD Single : A 2 ASN : amide:sc= -0.884 K(o=-0.88,f=-2.6) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -14.8! C(o=-15!,f=-19!) USER MOD Single : A 13 ASN : amide:sc= -0.518 K(o=-0.52,f=-4.3!) USER MOD Single : A 14 THR OG1 : rot -130:sc= -3.8! USER MOD Single : A 18 ASN : amide:sc= -1.9 K(o=-1.9,f=-3.4!) USER MOD Single : A 20 ASN : amide:sc= -0.985 K(o=-0.99,f=-1.7) USER MOD Single : A 21 THR OG1 : rot 42:sc= -1.92 USER MOD Single : A 25 ASN : amide:sc= -4.18! C(o=-4.2!,f=-12!) USER MOD Single : A 26 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.0035) USER MOD Single : A 28 TYR OH : rot -120:sc= -0.769 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -5:sc= -0.469 USER MOD Single : A 57 ASN : amide:sc= -0.0233 K(o=-0.023,f=-2) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.98) USER MOD Single : A 62 SER OG : rot -88:sc= -1.81 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0468 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 69 ASN : amide:sc= -2.81 K(o=-2.8,f=-0.9) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 130:sc= 0 USER MOD Single : A 83 TYR OH : rot -60:sc= 1.29 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 60:sc= 0.245 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -5.79 K(o=-5.8,f=-4) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 12:sc= -1.53 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.809 X(o=-0.81,f=-1.2) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot 60:sc= -1.58! USER MOD Single : A 103 HIS : no HE2:sc= -8.52! C(o=-8.5!,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 2 -2.895 2.060 9.401 1.00 12.00 N ATOM 16 CA ASN A 2 -2.393 0.658 9.560 1.00 12.00 C ATOM 17 C ASN A 2 -2.692 -0.132 8.270 1.00 12.00 C ATOM 18 O ASN A 2 -3.583 0.216 7.519 1.00 12.00 O ATOM 19 CB ASN A 2 -3.065 0.016 10.780 1.00 12.00 C ATOM 20 CG ASN A 2 -2.594 -1.433 10.941 1.00 12.00 C ATOM 21 OD1 ASN A 2 -3.399 -2.336 11.036 1.00 12.00 O ATOM 22 ND2 ASN A 2 -1.316 -1.697 10.980 1.00 12.00 N ATOM 0 HA ASN A 2 -1.315 0.652 9.724 1.00 12.00 H new ATOM 0 HB2 ASN A 2 -2.826 0.586 11.678 1.00 12.00 H new ATOM 0 HB3 ASN A 2 -4.148 0.043 10.664 1.00 12.00 H new ATOM 0 HD21 ASN A 2 -0.997 -2.660 11.090 1.00 12.00 H new ATOM 0 HD22 ASN A 2 -0.636 -0.941 10.900 1.00 12.00 H new ATOM 29 N TRP A 3 -1.924 -1.169 8.012 1.00 12.00 N ATOM 30 CA TRP A 3 -2.091 -2.001 6.756 1.00 12.00 C ATOM 31 C TRP A 3 -3.390 -2.839 6.826 1.00 12.00 C ATOM 32 O TRP A 3 -3.933 -3.220 5.806 1.00 12.00 O ATOM 33 CB TRP A 3 -0.884 -2.958 6.642 1.00 12.00 C ATOM 34 CG TRP A 3 -0.147 -2.861 5.330 1.00 12.00 C ATOM 35 CD1 TRP A 3 1.187 -2.647 5.250 1.00 12.00 C ATOM 36 CD2 TRP A 3 -0.614 -3.020 3.942 1.00 12.00 C ATOM 37 NE1 TRP A 3 1.579 -2.690 3.930 1.00 12.00 N ATOM 38 CE2 TRP A 3 0.513 -2.915 3.084 1.00 12.00 C ATOM 39 CE3 TRP A 3 -1.870 -3.252 3.340 1.00 12.00 C ATOM 40 CZ2 TRP A 3 0.402 -3.039 1.698 1.00 12.00 C ATOM 41 CZ3 TRP A 3 -1.981 -3.376 1.941 1.00 12.00 C ATOM 42 CH2 TRP A 3 -0.846 -3.278 1.124 1.00 12.00 C ATOM 0 H TRP A 3 -1.173 -1.485 8.626 1.00 12.00 H new ATOM 0 HA TRP A 3 -2.147 -1.339 5.892 1.00 12.00 H new ATOM 0 HB2 TRP A 3 -0.188 -2.747 7.454 1.00 12.00 H new ATOM 0 HB3 TRP A 3 -1.231 -3.982 6.777 1.00 12.00 H new ATOM 0 HD1 TRP A 3 1.842 -2.470 6.090 1.00 12.00 H new ATOM 0 HE1 TRP A 3 2.542 -2.570 3.616 1.00 12.00 H new ATOM 0 HE3 TRP A 3 -2.753 -3.335 3.957 1.00 12.00 H new ATOM 0 HZ2 TRP A 3 1.279 -2.950 1.073 1.00 12.00 H new ATOM 0 HZ3 TRP A 3 -2.949 -3.548 1.494 1.00 12.00 H new ATOM 0 HH2 TRP A 3 -0.938 -3.387 0.053 1.00 12.00 H new ATOM 53 N ALA A 4 -3.866 -3.154 8.021 1.00 12.00 N ATOM 54 CA ALA A 4 -5.110 -3.999 8.174 1.00 12.00 C ATOM 55 C ALA A 4 -6.365 -3.184 7.829 1.00 12.00 C ATOM 56 O ALA A 4 -7.094 -3.507 6.898 1.00 12.00 O ATOM 57 CB ALA A 4 -5.204 -4.491 9.620 1.00 12.00 C ATOM 0 H ALA A 4 -3.443 -2.860 8.901 1.00 12.00 H new ATOM 0 HA ALA A 4 -5.049 -4.846 7.491 1.00 12.00 H new ATOM 0 HB1 ALA A 4 -6.099 -5.102 9.739 1.00 12.00 H new ATOM 0 HB2 ALA A 4 -4.323 -5.087 9.859 1.00 12.00 H new ATOM 0 HB3 ALA A 4 -5.257 -3.635 10.293 1.00 12.00 H new ATOM 63 N THR A 5 -6.613 -2.131 8.577 1.00 12.00 N ATOM 64 CA THR A 5 -7.801 -1.258 8.315 1.00 12.00 C ATOM 65 C THR A 5 -7.641 -0.648 6.922 1.00 12.00 C ATOM 66 O THR A 5 -8.612 -0.445 6.211 1.00 12.00 O ATOM 67 CB THR A 5 -7.881 -0.154 9.376 1.00 12.00 C ATOM 68 OG1 THR A 5 -7.832 -0.741 10.669 1.00 12.00 O ATOM 69 CG2 THR A 5 -9.191 0.611 9.211 1.00 12.00 C ATOM 0 H THR A 5 -6.035 -1.838 9.365 1.00 12.00 H new ATOM 0 HA THR A 5 -8.721 -1.841 8.363 1.00 12.00 H new ATOM 0 HB THR A 5 -7.043 0.532 9.257 1.00 12.00 H new ATOM 0 HG1 THR A 5 -7.881 -0.038 11.350 1.00 12.00 H new ATOM 0 HG21 THR A 5 -9.251 1.397 9.964 1.00 12.00 H new ATOM 0 HG22 THR A 5 -9.229 1.057 8.217 1.00 12.00 H new ATOM 0 HG23 THR A 5 -10.030 -0.074 9.334 1.00 12.00 H new ATOM 77 N PHE A 6 -6.408 -0.399 6.522 1.00 12.00 N ATOM 78 CA PHE A 6 -6.135 0.148 5.164 1.00 12.00 C ATOM 79 C PHE A 6 -6.295 -0.981 4.140 1.00 12.00 C ATOM 80 O PHE A 6 -6.593 -0.740 2.986 1.00 12.00 O ATOM 81 CB PHE A 6 -4.732 0.712 5.116 1.00 12.00 C ATOM 82 CG PHE A 6 -4.524 1.396 3.787 1.00 12.00 C ATOM 83 CD1 PHE A 6 -4.249 0.621 2.660 1.00 12.00 C ATOM 84 CD2 PHE A 6 -4.609 2.799 3.675 1.00 12.00 C ATOM 85 CE1 PHE A 6 -4.057 1.229 1.425 1.00 12.00 C ATOM 86 CE2 PHE A 6 -4.419 3.410 2.435 1.00 12.00 C ATOM 87 CZ PHE A 6 -4.141 2.624 1.312 1.00 12.00 C ATOM 0 H PHE A 6 -5.577 -0.557 7.092 1.00 12.00 H new ATOM 0 HA PHE A 6 -6.836 0.950 4.932 1.00 12.00 H new ATOM 0 HB2 PHE A 6 -4.582 1.420 5.931 1.00 12.00 H new ATOM 0 HB3 PHE A 6 -4.001 -0.085 5.248 1.00 12.00 H new ATOM 0 HD1 PHE A 6 -4.185 -0.454 2.747 1.00 12.00 H new ATOM 0 HD2 PHE A 6 -4.821 3.400 4.547 1.00 12.00 H new ATOM 0 HE1 PHE A 6 -3.843 0.628 0.554 1.00 12.00 H new ATOM 0 HE2 PHE A 6 -4.486 4.484 2.343 1.00 12.00 H new ATOM 0 HZ PHE A 6 -3.990 3.095 0.352 1.00 12.00 H new ATOM 97 N GLN A 7 -6.151 -2.227 4.563 1.00 12.00 N ATOM 98 CA GLN A 7 -6.356 -3.380 3.617 1.00 12.00 C ATOM 99 C GLN A 7 -7.759 -3.229 3.027 1.00 12.00 C ATOM 100 O GLN A 7 -7.991 -3.520 1.866 1.00 12.00 O ATOM 101 CB GLN A 7 -6.248 -4.719 4.354 1.00 12.00 C ATOM 102 CG GLN A 7 -6.380 -5.863 3.344 1.00 12.00 C ATOM 103 CD GLN A 7 -5.912 -7.173 3.979 1.00 12.00 C ATOM 104 OE1 GLN A 7 -4.746 -7.333 4.275 1.00 12.00 O ATOM 105 NE2 GLN A 7 -6.779 -8.123 4.203 1.00 12.00 N ATOM 0 H GLN A 7 -5.902 -2.490 5.517 1.00 12.00 H new ATOM 0 HA GLN A 7 -5.592 -3.370 2.839 1.00 12.00 H new ATOM 0 HB2 GLN A 7 -5.292 -4.785 4.874 1.00 12.00 H new ATOM 0 HB3 GLN A 7 -7.028 -4.795 5.111 1.00 12.00 H new ATOM 0 HG2 GLN A 7 -7.416 -5.956 3.020 1.00 12.00 H new ATOM 0 HG3 GLN A 7 -5.786 -5.646 2.456 1.00 12.00 H new ATOM 0 HE21 GLN A 7 -7.759 -7.988 3.954 1.00 12.00 H new ATOM 0 HE22 GLN A 7 -6.476 -9.000 4.627 1.00 12.00 H new ATOM 114 N GLN A 8 -8.673 -2.723 3.833 1.00 12.00 N ATOM 115 CA GLN A 8 -10.059 -2.471 3.353 1.00 12.00 C ATOM 116 C GLN A 8 -10.035 -1.193 2.508 1.00 12.00 C ATOM 117 O GLN A 8 -10.702 -1.105 1.489 1.00 12.00 O ATOM 118 CB GLN A 8 -10.998 -2.270 4.547 1.00 12.00 C ATOM 119 CG GLN A 8 -11.594 -3.615 4.955 1.00 12.00 C ATOM 120 CD GLN A 8 -10.719 -4.248 6.037 1.00 12.00 C ATOM 121 OE1 GLN A 8 -10.942 -4.042 7.214 1.00 12.00 O ATOM 122 NE2 GLN A 8 -9.724 -5.016 5.686 1.00 12.00 N ATOM 0 H GLN A 8 -8.507 -2.475 4.808 1.00 12.00 H new ATOM 0 HA GLN A 8 -10.415 -3.318 2.767 1.00 12.00 H new ATOM 0 HB2 GLN A 8 -10.452 -1.833 5.383 1.00 12.00 H new ATOM 0 HB3 GLN A 8 -11.793 -1.572 4.285 1.00 12.00 H new ATOM 0 HG2 GLN A 8 -12.610 -3.478 5.326 1.00 12.00 H new ATOM 0 HG3 GLN A 8 -11.657 -4.275 4.090 1.00 12.00 H new ATOM 0 HE21 GLN A 8 -9.537 -5.189 4.698 1.00 12.00 H new ATOM 0 HE22 GLN A 8 -9.133 -5.443 6.399 1.00 12.00 H new ATOM 131 N LYS A 9 -9.253 -0.202 2.933 1.00 12.00 N ATOM 132 CA LYS A 9 -9.151 1.103 2.185 1.00 12.00 C ATOM 133 C LYS A 9 -8.988 0.858 0.678 1.00 12.00 C ATOM 134 O LYS A 9 -9.709 1.429 -0.127 1.00 12.00 O ATOM 135 CB LYS A 9 -7.948 1.931 2.687 1.00 12.00 C ATOM 136 CG LYS A 9 -8.322 2.664 3.971 1.00 12.00 C ATOM 137 CD LYS A 9 -9.254 3.839 3.645 1.00 12.00 C ATOM 138 CE LYS A 9 -8.839 5.071 4.455 1.00 12.00 C ATOM 139 NZ LYS A 9 -9.432 5.004 5.824 1.00 12.00 N ATOM 0 H LYS A 9 -8.679 -0.251 3.775 1.00 12.00 H new ATOM 0 HA LYS A 9 -10.073 1.655 2.366 1.00 12.00 H new ATOM 0 HB2 LYS A 9 -7.095 1.277 2.867 1.00 12.00 H new ATOM 0 HB3 LYS A 9 -7.645 2.648 1.924 1.00 12.00 H new ATOM 0 HG2 LYS A 9 -8.813 1.979 4.662 1.00 12.00 H new ATOM 0 HG3 LYS A 9 -7.423 3.028 4.468 1.00 12.00 H new ATOM 0 HD2 LYS A 9 -9.213 4.063 2.579 1.00 12.00 H new ATOM 0 HD3 LYS A 9 -10.285 3.572 3.875 1.00 12.00 H new ATOM 0 HE2 LYS A 9 -7.752 5.123 4.522 1.00 12.00 H new ATOM 0 HE3 LYS A 9 -9.171 5.978 3.950 1.00 12.00 H new ATOM 0 HZ1 LYS A 9 -9.146 5.843 6.368 1.00 12.00 H new ATOM 0 HZ2 LYS A 9 -10.469 4.975 5.752 1.00 12.00 H new ATOM 0 HZ3 LYS A 9 -9.094 4.147 6.307 1.00 12.00 H new ATOM 153 N HIS A 10 -8.039 0.026 0.302 1.00 12.00 N ATOM 154 CA HIS A 10 -7.796 -0.262 -1.149 1.00 12.00 C ATOM 155 C HIS A 10 -8.476 -1.554 -1.602 1.00 12.00 C ATOM 156 O HIS A 10 -8.516 -1.812 -2.797 1.00 12.00 O ATOM 157 CB HIS A 10 -6.291 -0.409 -1.425 1.00 12.00 C ATOM 158 CG HIS A 10 -5.704 0.905 -1.831 1.00 12.00 C ATOM 159 ND1 HIS A 10 -5.040 1.066 -3.033 1.00 12.00 N ATOM 160 CD2 HIS A 10 -5.624 2.109 -1.195 1.00 12.00 C ATOM 161 CE1 HIS A 10 -4.584 2.328 -3.078 1.00 12.00 C ATOM 162 NE2 HIS A 10 -4.912 3.006 -1.980 1.00 12.00 N ATOM 0 H HIS A 10 -7.420 -0.468 0.945 1.00 12.00 H new ATOM 0 HA HIS A 10 -8.214 0.579 -1.702 1.00 12.00 H new ATOM 0 HB2 HIS A 10 -5.786 -0.780 -0.533 1.00 12.00 H new ATOM 0 HB3 HIS A 10 -6.130 -1.145 -2.212 1.00 12.00 H new ATOM 0 HD2 HIS A 10 -6.050 2.331 -0.228 1.00 12.00 H new ATOM 0 HE1 HIS A 10 -4.021 2.742 -3.902 1.00 12.00 H new ATOM 0 HE2 HIS A 10 -4.688 3.977 -1.762 1.00 12.00 H new ATOM 170 N ILE A 11 -8.939 -2.408 -0.696 1.00 12.00 N ATOM 171 CA ILE A 11 -9.523 -3.714 -1.166 1.00 12.00 C ATOM 172 C ILE A 11 -10.975 -3.977 -0.713 1.00 12.00 C ATOM 173 O ILE A 11 -11.264 -4.969 -0.050 1.00 12.00 O ATOM 174 CB ILE A 11 -8.608 -4.875 -0.724 1.00 12.00 C ATOM 175 CG1 ILE A 11 -7.131 -4.521 -0.968 1.00 12.00 C ATOM 176 CG2 ILE A 11 -8.967 -6.135 -1.520 1.00 12.00 C ATOM 177 CD1 ILE A 11 -6.896 -4.185 -2.447 1.00 12.00 C ATOM 0 H ILE A 11 -8.937 -2.260 0.313 1.00 12.00 H new ATOM 0 HA ILE A 11 -9.572 -3.646 -2.253 1.00 12.00 H new ATOM 0 HB ILE A 11 -8.755 -5.053 0.341 1.00 12.00 H new ATOM 0 HG12 ILE A 11 -6.847 -3.672 -0.346 1.00 12.00 H new ATOM 0 HG13 ILE A 11 -6.497 -5.357 -0.674 1.00 12.00 H new ATOM 0 HG21 ILE A 11 -8.322 -6.957 -1.210 1.00 12.00 H new ATOM 0 HG22 ILE A 11 -10.008 -6.400 -1.333 1.00 12.00 H new ATOM 0 HG23 ILE A 11 -8.827 -5.945 -2.584 1.00 12.00 H new ATOM 0 HD11 ILE A 11 -5.846 -3.937 -2.601 1.00 12.00 H new ATOM 0 HD12 ILE A 11 -7.160 -5.045 -3.062 1.00 12.00 H new ATOM 0 HD13 ILE A 11 -7.515 -3.334 -2.730 1.00 12.00 H new ATOM 189 N ILE A 12 -11.903 -3.161 -1.170 1.00 12.00 N ATOM 190 CA ILE A 12 -13.346 -3.430 -0.893 1.00 12.00 C ATOM 191 C ILE A 12 -13.852 -4.102 -2.179 1.00 12.00 C ATOM 192 O ILE A 12 -14.661 -3.561 -2.914 1.00 12.00 O ATOM 193 CB ILE A 12 -14.107 -2.125 -0.615 1.00 12.00 C ATOM 194 CG1 ILE A 12 -13.450 -1.371 0.558 1.00 12.00 C ATOM 195 CG2 ILE A 12 -15.560 -2.459 -0.259 1.00 12.00 C ATOM 196 CD1 ILE A 12 -12.832 -0.060 0.061 1.00 12.00 C ATOM 0 H ILE A 12 -11.718 -2.323 -1.721 1.00 12.00 H new ATOM 0 HA ILE A 12 -13.494 -4.052 -0.010 1.00 12.00 H new ATOM 0 HB ILE A 12 -14.078 -1.493 -1.503 1.00 12.00 H new ATOM 0 HG12 ILE A 12 -14.193 -1.163 1.328 1.00 12.00 H new ATOM 0 HG13 ILE A 12 -12.682 -1.994 1.016 1.00 12.00 H new ATOM 0 HG21 ILE A 12 -16.107 -1.537 -0.060 1.00 12.00 H new ATOM 0 HG22 ILE A 12 -16.027 -2.986 -1.091 1.00 12.00 H new ATOM 0 HG23 ILE A 12 -15.581 -3.092 0.628 1.00 12.00 H new ATOM 0 HD11 ILE A 12 -12.371 0.465 0.897 1.00 12.00 H new ATOM 0 HD12 ILE A 12 -12.075 -0.277 -0.693 1.00 12.00 H new ATOM 0 HD13 ILE A 12 -13.610 0.566 -0.376 1.00 12.00 H new ATOM 208 N ASN A 13 -13.294 -5.265 -2.475 1.00 12.00 N ATOM 209 CA ASN A 13 -13.619 -6.012 -3.734 1.00 12.00 C ATOM 210 C ASN A 13 -15.021 -6.645 -3.673 1.00 12.00 C ATOM 211 O ASN A 13 -15.179 -7.840 -3.463 1.00 12.00 O ATOM 212 CB ASN A 13 -12.546 -7.093 -3.973 1.00 12.00 C ATOM 213 CG ASN A 13 -12.530 -8.100 -2.816 1.00 12.00 C ATOM 214 OD1 ASN A 13 -12.216 -7.758 -1.694 1.00 12.00 O ATOM 215 ND2 ASN A 13 -12.842 -9.346 -3.046 1.00 12.00 N ATOM 0 H ASN A 13 -12.612 -5.732 -1.878 1.00 12.00 H new ATOM 0 HA ASN A 13 -13.621 -5.307 -4.565 1.00 12.00 H new ATOM 0 HB2 ASN A 13 -12.746 -7.611 -4.911 1.00 12.00 H new ATOM 0 HB3 ASN A 13 -11.566 -6.626 -4.070 1.00 12.00 H new ATOM 0 HD21 ASN A 13 -12.821 -10.026 -2.286 1.00 12.00 H new ATOM 0 HD22 ASN A 13 -13.107 -9.640 -3.986 1.00 12.00 H new ATOM 222 N THR A 14 -16.033 -5.837 -3.889 1.00 12.00 N ATOM 223 CA THR A 14 -17.447 -6.332 -3.894 1.00 12.00 C ATOM 224 C THR A 14 -18.191 -5.613 -5.053 1.00 12.00 C ATOM 225 O THR A 14 -18.947 -4.682 -4.815 1.00 12.00 O ATOM 226 CB THR A 14 -18.111 -6.018 -2.546 1.00 12.00 C ATOM 227 OG1 THR A 14 -17.711 -4.727 -2.104 1.00 12.00 O ATOM 228 CG2 THR A 14 -17.704 -7.067 -1.508 1.00 12.00 C ATOM 0 H THR A 14 -15.936 -4.837 -4.065 1.00 12.00 H new ATOM 0 HA THR A 14 -17.482 -7.412 -4.041 1.00 12.00 H new ATOM 0 HB THR A 14 -19.194 -6.038 -2.668 1.00 12.00 H new ATOM 0 HG1 THR A 14 -17.402 -4.780 -1.176 1.00 12.00 H new ATOM 0 HG21 THR A 14 -18.179 -6.838 -0.554 1.00 12.00 H new ATOM 0 HG22 THR A 14 -18.022 -8.054 -1.844 1.00 12.00 H new ATOM 0 HG23 THR A 14 -16.621 -7.057 -1.386 1.00 12.00 H new ATOM 236 N PRO A 15 -17.925 -6.031 -6.294 1.00 12.00 N ATOM 237 CA PRO A 15 -18.528 -5.396 -7.491 1.00 12.00 C ATOM 238 C PRO A 15 -19.983 -5.827 -7.750 1.00 12.00 C ATOM 239 O PRO A 15 -20.520 -5.527 -8.806 1.00 12.00 O ATOM 240 CB PRO A 15 -17.622 -5.853 -8.638 1.00 12.00 C ATOM 241 CG PRO A 15 -16.914 -7.138 -8.162 1.00 12.00 C ATOM 242 CD PRO A 15 -17.008 -7.156 -6.627 1.00 12.00 C ATOM 0 HA PRO A 15 -18.585 -4.314 -7.373 1.00 12.00 H new ATOM 0 HB2 PRO A 15 -18.205 -6.044 -9.539 1.00 12.00 H new ATOM 0 HB3 PRO A 15 -16.895 -5.081 -8.887 1.00 12.00 H new ATOM 0 HG2 PRO A 15 -17.389 -8.021 -8.589 1.00 12.00 H new ATOM 0 HG3 PRO A 15 -15.873 -7.148 -8.486 1.00 12.00 H new ATOM 0 HD2 PRO A 15 -17.399 -8.107 -6.265 1.00 12.00 H new ATOM 0 HD3 PRO A 15 -16.029 -7.019 -6.168 1.00 12.00 H new ATOM 250 N ILE A 16 -20.633 -6.496 -6.813 1.00 12.00 N ATOM 251 CA ILE A 16 -22.063 -6.908 -7.031 1.00 12.00 C ATOM 252 C ILE A 16 -22.916 -5.642 -7.231 1.00 12.00 C ATOM 253 O ILE A 16 -22.380 -4.559 -7.413 1.00 12.00 O ATOM 254 CB ILE A 16 -22.569 -7.701 -5.821 1.00 12.00 C ATOM 255 CG1 ILE A 16 -22.311 -6.907 -4.541 1.00 12.00 C ATOM 256 CG2 ILE A 16 -21.834 -9.040 -5.740 1.00 12.00 C ATOM 257 CD1 ILE A 16 -23.198 -7.452 -3.423 1.00 12.00 C ATOM 0 H ILE A 16 -20.236 -6.771 -5.915 1.00 12.00 H new ATOM 0 HA ILE A 16 -22.136 -7.543 -7.914 1.00 12.00 H new ATOM 0 HB ILE A 16 -23.639 -7.878 -5.931 1.00 12.00 H new ATOM 0 HG12 ILE A 16 -21.261 -6.982 -4.258 1.00 12.00 H new ATOM 0 HG13 ILE A 16 -22.522 -5.850 -4.706 1.00 12.00 H new ATOM 0 HG21 ILE A 16 -22.196 -9.602 -4.879 1.00 12.00 H new ATOM 0 HG22 ILE A 16 -22.018 -9.612 -6.650 1.00 12.00 H new ATOM 0 HG23 ILE A 16 -20.764 -8.862 -5.634 1.00 12.00 H new ATOM 0 HD11 ILE A 16 -23.017 -6.888 -2.508 1.00 12.00 H new ATOM 0 HD12 ILE A 16 -24.245 -7.354 -3.709 1.00 12.00 H new ATOM 0 HD13 ILE A 16 -22.965 -8.503 -3.254 1.00 12.00 H new ATOM 269 N ILE A 17 -24.230 -5.767 -7.209 1.00 12.00 N ATOM 270 CA ILE A 17 -25.116 -4.561 -7.411 1.00 12.00 C ATOM 271 C ILE A 17 -25.761 -4.161 -6.072 1.00 12.00 C ATOM 272 O ILE A 17 -26.904 -3.726 -6.018 1.00 12.00 O ATOM 273 CB ILE A 17 -26.208 -4.847 -8.469 1.00 12.00 C ATOM 274 CG1 ILE A 17 -25.698 -5.826 -9.545 1.00 12.00 C ATOM 275 CG2 ILE A 17 -26.603 -3.531 -9.143 1.00 12.00 C ATOM 276 CD1 ILE A 17 -24.425 -5.280 -10.208 1.00 12.00 C ATOM 0 H ILE A 17 -24.726 -6.646 -7.061 1.00 12.00 H new ATOM 0 HA ILE A 17 -24.503 -3.737 -7.775 1.00 12.00 H new ATOM 0 HB ILE A 17 -27.065 -5.298 -7.969 1.00 12.00 H new ATOM 0 HG12 ILE A 17 -25.493 -6.797 -9.094 1.00 12.00 H new ATOM 0 HG13 ILE A 17 -26.470 -5.982 -10.299 1.00 12.00 H new ATOM 0 HG21 ILE A 17 -27.373 -3.722 -9.891 1.00 12.00 H new ATOM 0 HG22 ILE A 17 -26.989 -2.840 -8.394 1.00 12.00 H new ATOM 0 HG23 ILE A 17 -25.729 -3.093 -9.625 1.00 12.00 H new ATOM 0 HD11 ILE A 17 -24.079 -5.984 -10.965 1.00 12.00 H new ATOM 0 HD12 ILE A 17 -24.642 -4.320 -10.677 1.00 12.00 H new ATOM 0 HD13 ILE A 17 -23.650 -5.148 -9.453 1.00 12.00 H new ATOM 288 N ASN A 18 -25.016 -4.294 -4.994 1.00 12.00 N ATOM 289 CA ASN A 18 -25.541 -3.920 -3.632 1.00 12.00 C ATOM 290 C ASN A 18 -24.401 -3.281 -2.828 1.00 12.00 C ATOM 291 O ASN A 18 -23.536 -3.978 -2.325 1.00 12.00 O ATOM 292 CB ASN A 18 -26.043 -5.176 -2.896 1.00 12.00 C ATOM 293 CG ASN A 18 -26.895 -6.036 -3.833 1.00 12.00 C ATOM 294 OD1 ASN A 18 -26.608 -7.198 -4.038 1.00 12.00 O ATOM 295 ND2 ASN A 18 -27.941 -5.511 -4.411 1.00 12.00 N ATOM 0 H ASN A 18 -24.059 -4.648 -4.998 1.00 12.00 H new ATOM 0 HA ASN A 18 -26.369 -3.219 -3.738 1.00 12.00 H new ATOM 0 HB2 ASN A 18 -25.195 -5.755 -2.531 1.00 12.00 H new ATOM 0 HB3 ASN A 18 -26.629 -4.885 -2.025 1.00 12.00 H new ATOM 0 HD21 ASN A 18 -28.517 -6.077 -5.034 1.00 12.00 H new ATOM 0 HD22 ASN A 18 -28.183 -4.535 -4.239 1.00 12.00 H new ATOM 302 N CYS A 19 -24.386 -1.961 -2.724 1.00 12.00 N ATOM 303 CA CYS A 19 -23.282 -1.263 -1.965 1.00 12.00 C ATOM 304 C CYS A 19 -23.528 -1.325 -0.447 1.00 12.00 C ATOM 305 O CYS A 19 -22.621 -1.053 0.322 1.00 12.00 O ATOM 306 CB CYS A 19 -23.162 0.215 -2.398 1.00 12.00 C ATOM 307 SG CYS A 19 -23.069 0.331 -4.204 1.00 12.00 S ATOM 0 H CYS A 19 -25.087 -1.341 -3.130 1.00 12.00 H new ATOM 0 HA CYS A 19 -22.353 -1.783 -2.198 1.00 12.00 H new ATOM 0 HB2 CYS A 19 -24.020 0.779 -2.034 1.00 12.00 H new ATOM 0 HB3 CYS A 19 -22.274 0.662 -1.951 1.00 12.00 H new ATOM 312 N ASN A 20 -24.727 -1.676 -0.007 1.00 12.00 N ATOM 313 CA ASN A 20 -25.000 -1.746 1.478 1.00 12.00 C ATOM 314 C ASN A 20 -24.571 -3.113 2.030 1.00 12.00 C ATOM 315 O ASN A 20 -23.783 -3.194 2.960 1.00 12.00 O ATOM 316 CB ASN A 20 -26.491 -1.501 1.780 1.00 12.00 C ATOM 317 CG ASN A 20 -27.389 -2.268 0.803 1.00 12.00 C ATOM 318 OD1 ASN A 20 -27.632 -1.817 -0.300 1.00 12.00 O ATOM 319 ND2 ASN A 20 -27.907 -3.410 1.165 1.00 12.00 N ATOM 0 H ASN A 20 -25.519 -1.914 -0.605 1.00 12.00 H new ATOM 0 HA ASN A 20 -24.420 -0.963 1.966 1.00 12.00 H new ATOM 0 HB2 ASN A 20 -26.713 -1.810 2.801 1.00 12.00 H new ATOM 0 HB3 ASN A 20 -26.707 -0.435 1.716 1.00 12.00 H new ATOM 0 HD21 ASN A 20 -28.513 -3.921 0.524 1.00 12.00 H new ATOM 0 HD22 ASN A 20 -27.705 -3.791 2.089 1.00 12.00 H new ATOM 326 N THR A 21 -25.090 -4.180 1.459 1.00 12.00 N ATOM 327 CA THR A 21 -24.747 -5.568 1.920 1.00 12.00 C ATOM 328 C THR A 21 -23.230 -5.761 1.919 1.00 12.00 C ATOM 329 O THR A 21 -22.689 -6.430 2.784 1.00 12.00 O ATOM 330 CB THR A 21 -25.395 -6.609 0.988 1.00 12.00 C ATOM 331 OG1 THR A 21 -25.541 -6.072 -0.321 1.00 12.00 O ATOM 332 CG2 THR A 21 -26.771 -7.004 1.533 1.00 12.00 C ATOM 0 H THR A 21 -25.748 -4.146 0.680 1.00 12.00 H new ATOM 0 HA THR A 21 -25.127 -5.703 2.932 1.00 12.00 H new ATOM 0 HB THR A 21 -24.753 -7.489 0.943 1.00 12.00 H new ATOM 0 HG1 THR A 21 -24.733 -5.572 -0.561 1.00 12.00 H new ATOM 0 HG21 THR A 21 -27.227 -7.741 0.871 1.00 12.00 H new ATOM 0 HG22 THR A 21 -26.659 -7.432 2.529 1.00 12.00 H new ATOM 0 HG23 THR A 21 -27.408 -6.121 1.587 1.00 12.00 H new ATOM 340 N ILE A 22 -22.551 -5.181 0.953 1.00 12.00 N ATOM 341 CA ILE A 22 -21.065 -5.318 0.876 1.00 12.00 C ATOM 342 C ILE A 22 -20.419 -4.317 1.841 1.00 12.00 C ATOM 343 O ILE A 22 -19.392 -4.595 2.439 1.00 12.00 O ATOM 344 CB ILE A 22 -20.592 -5.070 -0.567 1.00 12.00 C ATOM 345 CG1 ILE A 22 -20.825 -3.603 -0.971 1.00 12.00 C ATOM 346 CG2 ILE A 22 -21.369 -5.986 -1.519 1.00 12.00 C ATOM 347 CD1 ILE A 22 -20.229 -3.341 -2.361 1.00 12.00 C ATOM 0 H ILE A 22 -22.968 -4.617 0.213 1.00 12.00 H new ATOM 0 HA ILE A 22 -20.769 -6.327 1.162 1.00 12.00 H new ATOM 0 HB ILE A 22 -19.525 -5.285 -0.627 1.00 12.00 H new ATOM 0 HG12 ILE A 22 -21.893 -3.384 -0.977 1.00 12.00 H new ATOM 0 HG13 ILE A 22 -20.367 -2.938 -0.239 1.00 12.00 H new ATOM 0 HG21 ILE A 22 -21.037 -5.813 -2.543 1.00 12.00 H new ATOM 0 HG22 ILE A 22 -21.189 -7.027 -1.250 1.00 12.00 H new ATOM 0 HG23 ILE A 22 -22.435 -5.770 -1.442 1.00 12.00 H new ATOM 0 HD11 ILE A 22 -20.398 -2.301 -2.639 1.00 12.00 H new ATOM 0 HD12 ILE A 22 -19.158 -3.542 -2.341 1.00 12.00 H new ATOM 0 HD13 ILE A 22 -20.707 -3.994 -3.091 1.00 12.00 H new ATOM 359 N MET A 23 -21.026 -3.158 1.984 1.00 12.00 N ATOM 360 CA MET A 23 -20.488 -2.106 2.899 1.00 12.00 C ATOM 361 C MET A 23 -21.254 -2.148 4.232 1.00 12.00 C ATOM 362 O MET A 23 -21.444 -1.131 4.885 1.00 12.00 O ATOM 363 CB MET A 23 -20.657 -0.731 2.238 1.00 12.00 C ATOM 364 CG MET A 23 -19.825 0.317 2.987 1.00 12.00 C ATOM 365 SD MET A 23 -20.919 1.597 3.651 1.00 12.00 S ATOM 366 CE MET A 23 -21.548 2.205 2.068 1.00 12.00 C ATOM 0 H MET A 23 -21.883 -2.897 1.496 1.00 12.00 H new ATOM 0 HA MET A 23 -19.430 -2.286 3.091 1.00 12.00 H new ATOM 0 HB2 MET A 23 -20.343 -0.779 1.195 1.00 12.00 H new ATOM 0 HB3 MET A 23 -21.708 -0.443 2.242 1.00 12.00 H new ATOM 0 HG2 MET A 23 -19.269 -0.156 3.796 1.00 12.00 H new ATOM 0 HG3 MET A 23 -19.092 0.763 2.315 1.00 12.00 H new ATOM 0 HE1 MET A 23 -21.709 3.281 2.130 1.00 12.00 H new ATOM 0 HE2 MET A 23 -20.824 1.991 1.282 1.00 12.00 H new ATOM 0 HE3 MET A 23 -22.491 1.710 1.837 1.00 12.00 H new ATOM 376 N ASP A 24 -21.691 -3.325 4.630 1.00 12.00 N ATOM 377 CA ASP A 24 -22.454 -3.482 5.916 1.00 12.00 C ATOM 378 C ASP A 24 -21.471 -3.686 7.093 1.00 12.00 C ATOM 379 O ASP A 24 -21.641 -4.576 7.916 1.00 12.00 O ATOM 380 CB ASP A 24 -23.399 -4.693 5.789 1.00 12.00 C ATOM 381 CG ASP A 24 -24.789 -4.273 5.261 1.00 12.00 C ATOM 382 OD1 ASP A 24 -25.036 -3.083 5.106 1.00 12.00 O ATOM 383 OD2 ASP A 24 -25.591 -5.161 5.026 1.00 12.00 O ATOM 0 H ASP A 24 -21.550 -4.192 4.112 1.00 12.00 H new ATOM 0 HA ASP A 24 -23.039 -2.584 6.111 1.00 12.00 H new ATOM 0 HB2 ASP A 24 -22.960 -5.429 5.116 1.00 12.00 H new ATOM 0 HB3 ASP A 24 -23.508 -5.174 6.761 1.00 12.00 H new ATOM 388 N ASN A 25 -20.456 -2.848 7.181 1.00 12.00 N ATOM 389 CA ASN A 25 -19.461 -2.950 8.298 1.00 12.00 C ATOM 390 C ASN A 25 -19.332 -1.589 8.977 1.00 12.00 C ATOM 391 O ASN A 25 -19.601 -0.561 8.376 1.00 12.00 O ATOM 392 CB ASN A 25 -18.092 -3.376 7.761 1.00 12.00 C ATOM 393 CG ASN A 25 -17.156 -3.666 8.938 1.00 12.00 C ATOM 394 OD1 ASN A 25 -16.044 -3.185 8.978 1.00 12.00 O ATOM 395 ND2 ASN A 25 -17.563 -4.446 9.903 1.00 12.00 N ATOM 0 H ASN A 25 -20.277 -2.093 6.519 1.00 12.00 H new ATOM 0 HA ASN A 25 -19.807 -3.698 9.012 1.00 12.00 H new ATOM 0 HB2 ASN A 25 -18.194 -4.263 7.135 1.00 12.00 H new ATOM 0 HB3 ASN A 25 -17.673 -2.589 7.134 1.00 12.00 H new ATOM 0 HD21 ASN A 25 -16.946 -4.650 10.689 1.00 12.00 H new ATOM 0 HD22 ASN A 25 -18.498 -4.852 9.871 1.00 12.00 H new ATOM 402 N ASN A 26 -18.919 -1.585 10.224 1.00 12.00 N ATOM 403 CA ASN A 26 -18.760 -0.299 10.978 1.00 12.00 C ATOM 404 C ASN A 26 -17.522 0.468 10.489 1.00 12.00 C ATOM 405 O ASN A 26 -17.341 1.621 10.846 1.00 12.00 O ATOM 406 CB ASN A 26 -18.612 -0.605 12.467 1.00 12.00 C ATOM 407 CG ASN A 26 -19.803 -1.440 12.936 1.00 12.00 C ATOM 408 OD1 ASN A 26 -20.811 -0.903 13.353 1.00 12.00 O ATOM 409 ND2 ASN A 26 -19.732 -2.741 12.882 1.00 12.00 N ATOM 0 H ASN A 26 -18.684 -2.424 10.755 1.00 12.00 H new ATOM 0 HA ASN A 26 -19.641 0.319 10.808 1.00 12.00 H new ATOM 0 HB2 ASN A 26 -17.682 -1.144 12.648 1.00 12.00 H new ATOM 0 HB3 ASN A 26 -18.558 0.323 13.036 1.00 12.00 H new ATOM 0 HD21 ASN A 26 -20.522 -3.308 13.190 1.00 12.00 H new ATOM 0 HD22 ASN A 26 -18.886 -3.192 12.532 1.00 12.00 H new ATOM 416 N ILE A 27 -16.671 -0.151 9.682 1.00 12.00 N ATOM 417 CA ILE A 27 -15.448 0.562 9.182 1.00 12.00 C ATOM 418 C ILE A 27 -15.805 1.509 8.015 1.00 12.00 C ATOM 419 O ILE A 27 -14.939 2.191 7.491 1.00 12.00 O ATOM 420 CB ILE A 27 -14.395 -0.465 8.730 1.00 12.00 C ATOM 421 CG1 ILE A 27 -13.087 0.260 8.408 1.00 12.00 C ATOM 422 CG2 ILE A 27 -14.872 -1.221 7.484 1.00 12.00 C ATOM 423 CD1 ILE A 27 -11.957 -0.762 8.275 1.00 12.00 C ATOM 0 H ILE A 27 -16.776 -1.111 9.355 1.00 12.00 H new ATOM 0 HA ILE A 27 -15.038 1.162 9.994 1.00 12.00 H new ATOM 0 HB ILE A 27 -14.240 -1.182 9.536 1.00 12.00 H new ATOM 0 HG12 ILE A 27 -13.191 0.826 7.482 1.00 12.00 H new ATOM 0 HG13 ILE A 27 -12.853 0.977 9.195 1.00 12.00 H new ATOM 0 HG21 ILE A 27 -14.112 -1.942 7.182 1.00 12.00 H new ATOM 0 HG22 ILE A 27 -15.800 -1.746 7.710 1.00 12.00 H new ATOM 0 HG23 ILE A 27 -15.044 -0.514 6.673 1.00 12.00 H new ATOM 0 HD11 ILE A 27 -11.025 -0.246 8.046 1.00 12.00 H new ATOM 0 HD12 ILE A 27 -11.848 -1.308 9.212 1.00 12.00 H new ATOM 0 HD13 ILE A 27 -12.192 -1.461 7.473 1.00 12.00 H new ATOM 435 N TYR A 28 -17.063 1.554 7.616 1.00 12.00 N ATOM 436 CA TYR A 28 -17.485 2.454 6.489 1.00 12.00 C ATOM 437 C TYR A 28 -18.540 3.464 7.005 1.00 12.00 C ATOM 438 O TYR A 28 -19.636 3.561 6.466 1.00 12.00 O ATOM 439 CB TYR A 28 -18.083 1.600 5.355 1.00 12.00 C ATOM 440 CG TYR A 28 -17.038 0.643 4.850 1.00 12.00 C ATOM 441 CD1 TYR A 28 -15.905 1.138 4.199 1.00 12.00 C ATOM 442 CD2 TYR A 28 -17.202 -0.735 5.027 1.00 12.00 C ATOM 443 CE1 TYR A 28 -14.933 0.258 3.724 1.00 12.00 C ATOM 444 CE2 TYR A 28 -16.228 -1.620 4.550 1.00 12.00 C ATOM 445 CZ TYR A 28 -15.092 -1.125 3.897 1.00 12.00 C ATOM 446 OH TYR A 28 -14.134 -1.998 3.426 1.00 12.00 O ATOM 0 H TYR A 28 -17.816 1.002 8.027 1.00 12.00 H new ATOM 0 HA TYR A 28 -16.623 3.002 6.110 1.00 12.00 H new ATOM 0 HB2 TYR A 28 -18.952 1.050 5.717 1.00 12.00 H new ATOM 0 HB3 TYR A 28 -18.428 2.241 4.544 1.00 12.00 H new ATOM 0 HD1 TYR A 28 -15.782 2.202 4.064 1.00 12.00 H new ATOM 0 HD2 TYR A 28 -18.078 -1.115 5.531 1.00 12.00 H new ATOM 0 HE1 TYR A 28 -14.057 0.642 3.222 1.00 12.00 H new ATOM 0 HE2 TYR A 28 -16.352 -2.684 4.685 1.00 12.00 H new ATOM 0 HH TYR A 28 -14.538 -2.606 2.772 1.00 12.00 H new ATOM 456 N ILE A 29 -18.224 4.211 8.056 1.00 12.00 N ATOM 457 CA ILE A 29 -19.215 5.195 8.610 1.00 12.00 C ATOM 458 C ILE A 29 -18.515 6.497 8.991 1.00 12.00 C ATOM 459 O ILE A 29 -17.351 6.514 9.350 1.00 12.00 O ATOM 460 CB ILE A 29 -19.874 4.599 9.862 1.00 12.00 C ATOM 461 CG1 ILE A 29 -20.492 3.232 9.526 1.00 12.00 C ATOM 462 CG2 ILE A 29 -20.962 5.548 10.383 1.00 12.00 C ATOM 463 CD1 ILE A 29 -21.591 3.379 8.463 1.00 12.00 C ATOM 0 H ILE A 29 -17.329 4.177 8.544 1.00 12.00 H new ATOM 0 HA ILE A 29 -19.968 5.403 7.849 1.00 12.00 H new ATOM 0 HB ILE A 29 -19.116 4.469 10.634 1.00 12.00 H new ATOM 0 HG12 ILE A 29 -19.717 2.556 9.164 1.00 12.00 H new ATOM 0 HG13 ILE A 29 -20.909 2.784 10.428 1.00 12.00 H new ATOM 0 HG21 ILE A 29 -21.425 5.118 11.271 1.00 12.00 H new ATOM 0 HG22 ILE A 29 -20.515 6.510 10.636 1.00 12.00 H new ATOM 0 HG23 ILE A 29 -21.719 5.691 9.612 1.00 12.00 H new ATOM 0 HD11 ILE A 29 -22.015 2.400 8.240 1.00 12.00 H new ATOM 0 HD12 ILE A 29 -22.375 4.037 8.839 1.00 12.00 H new ATOM 0 HD13 ILE A 29 -21.164 3.805 7.555 1.00 12.00 H new ATOM 475 N VAL A 30 -19.255 7.576 8.937 1.00 12.00 N ATOM 476 CA VAL A 30 -18.715 8.925 9.316 1.00 12.00 C ATOM 477 C VAL A 30 -19.206 9.243 10.739 1.00 12.00 C ATOM 478 O VAL A 30 -20.043 8.528 11.273 1.00 12.00 O ATOM 479 CB VAL A 30 -19.244 9.962 8.309 1.00 12.00 C ATOM 480 CG1 VAL A 30 -18.628 11.333 8.585 1.00 12.00 C ATOM 481 CG2 VAL A 30 -18.865 9.519 6.895 1.00 12.00 C ATOM 0 H VAL A 30 -20.231 7.582 8.641 1.00 12.00 H new ATOM 0 HA VAL A 30 -17.625 8.944 9.297 1.00 12.00 H new ATOM 0 HB VAL A 30 -20.327 10.034 8.407 1.00 12.00 H new ATOM 0 HG11 VAL A 30 -19.012 12.056 7.865 1.00 12.00 H new ATOM 0 HG12 VAL A 30 -18.889 11.653 9.594 1.00 12.00 H new ATOM 0 HG13 VAL A 30 -17.544 11.270 8.493 1.00 12.00 H new ATOM 0 HG21 VAL A 30 -19.236 10.248 6.174 1.00 12.00 H new ATOM 0 HG22 VAL A 30 -17.780 9.448 6.814 1.00 12.00 H new ATOM 0 HG23 VAL A 30 -19.309 8.545 6.688 1.00 12.00 H new ATOM 491 N GLY A 31 -18.694 10.289 11.365 1.00 12.00 N ATOM 492 CA GLY A 31 -19.133 10.626 12.756 1.00 12.00 C ATOM 493 C GLY A 31 -20.314 11.592 12.692 1.00 12.00 C ATOM 494 O GLY A 31 -20.300 12.652 13.295 1.00 12.00 O ATOM 0 H GLY A 31 -17.995 10.917 10.969 1.00 12.00 H new ATOM 0 HA2 GLY A 31 -19.418 9.719 13.289 1.00 12.00 H new ATOM 0 HA3 GLY A 31 -18.310 11.076 13.311 1.00 12.00 H new ATOM 498 N GLY A 32 -21.337 11.207 11.961 1.00 12.00 N ATOM 499 CA GLY A 32 -22.559 12.047 11.818 1.00 12.00 C ATOM 500 C GLY A 32 -23.702 11.169 11.298 1.00 12.00 C ATOM 501 O GLY A 32 -24.733 11.047 11.940 1.00 12.00 O ATOM 0 H GLY A 32 -21.370 10.325 11.449 1.00 12.00 H new ATOM 0 HA2 GLY A 32 -22.828 12.488 12.778 1.00 12.00 H new ATOM 0 HA3 GLY A 32 -22.372 12.871 11.129 1.00 12.00 H new ATOM 505 N GLN A 33 -23.519 10.556 10.140 1.00 12.00 N ATOM 506 CA GLN A 33 -24.585 9.674 9.559 1.00 12.00 C ATOM 507 C GLN A 33 -24.001 8.864 8.398 1.00 12.00 C ATOM 508 O GLN A 33 -23.772 7.672 8.511 1.00 12.00 O ATOM 509 CB GLN A 33 -25.742 10.550 9.056 1.00 12.00 C ATOM 510 CG GLN A 33 -27.072 10.022 9.595 1.00 12.00 C ATOM 511 CD GLN A 33 -28.213 10.882 9.052 1.00 12.00 C ATOM 512 OE1 GLN A 33 -28.307 12.053 9.363 1.00 12.00 O ATOM 513 NE2 GLN A 33 -29.087 10.350 8.243 1.00 12.00 N ATOM 0 H GLN A 33 -22.673 10.633 9.576 1.00 12.00 H new ATOM 0 HA GLN A 33 -24.954 8.988 10.321 1.00 12.00 H new ATOM 0 HB2 GLN A 33 -25.594 11.581 9.377 1.00 12.00 H new ATOM 0 HB3 GLN A 33 -25.758 10.554 7.966 1.00 12.00 H new ATOM 0 HG2 GLN A 33 -27.211 8.983 9.298 1.00 12.00 H new ATOM 0 HG3 GLN A 33 -27.071 10.045 10.685 1.00 12.00 H new ATOM 0 HE21 GLN A 33 -29.008 9.367 7.982 1.00 12.00 H new ATOM 0 HE22 GLN A 33 -29.849 10.917 7.871 1.00 12.00 H new ATOM 522 N CYS A 34 -23.765 9.527 7.285 1.00 12.00 N ATOM 523 CA CYS A 34 -23.199 8.854 6.076 1.00 12.00 C ATOM 524 C CYS A 34 -22.259 9.835 5.361 1.00 12.00 C ATOM 525 O CYS A 34 -22.114 10.975 5.776 1.00 12.00 O ATOM 526 CB CYS A 34 -24.348 8.451 5.136 1.00 12.00 C ATOM 527 SG CYS A 34 -24.650 6.668 5.264 1.00 12.00 S ATOM 0 H CYS A 34 -23.946 10.524 7.167 1.00 12.00 H new ATOM 0 HA CYS A 34 -22.645 7.961 6.365 1.00 12.00 H new ATOM 0 HB2 CYS A 34 -25.252 9.002 5.395 1.00 12.00 H new ATOM 0 HB3 CYS A 34 -24.098 8.714 4.108 1.00 12.00 H new ATOM 532 N LYS A 35 -21.627 9.396 4.295 1.00 12.00 N ATOM 533 CA LYS A 35 -20.693 10.287 3.537 1.00 12.00 C ATOM 534 C LYS A 35 -21.222 10.483 2.115 1.00 12.00 C ATOM 535 O LYS A 35 -22.026 9.701 1.633 1.00 12.00 O ATOM 536 CB LYS A 35 -19.298 9.651 3.499 1.00 12.00 C ATOM 537 CG LYS A 35 -18.224 10.744 3.613 1.00 12.00 C ATOM 538 CD LYS A 35 -17.557 10.959 2.251 1.00 12.00 C ATOM 539 CE LYS A 35 -16.139 11.506 2.443 1.00 12.00 C ATOM 540 NZ LYS A 35 -16.125 12.964 2.139 1.00 12.00 N ATOM 0 H LYS A 35 -21.720 8.453 3.917 1.00 12.00 H new ATOM 0 HA LYS A 35 -20.627 11.257 4.030 1.00 12.00 H new ATOM 0 HB2 LYS A 35 -19.191 8.937 4.316 1.00 12.00 H new ATOM 0 HB3 LYS A 35 -19.167 9.095 2.571 1.00 12.00 H new ATOM 0 HG2 LYS A 35 -18.674 11.675 3.959 1.00 12.00 H new ATOM 0 HG3 LYS A 35 -17.477 10.457 4.353 1.00 12.00 H new ATOM 0 HD2 LYS A 35 -17.522 10.018 1.702 1.00 12.00 H new ATOM 0 HD3 LYS A 35 -18.146 11.655 1.654 1.00 12.00 H new ATOM 0 HE2 LYS A 35 -15.807 11.334 3.467 1.00 12.00 H new ATOM 0 HE3 LYS A 35 -15.443 10.980 1.789 1.00 12.00 H new ATOM 0 HZ1 LYS A 35 -15.163 13.337 2.269 1.00 12.00 H new ATOM 0 HZ2 LYS A 35 -16.425 13.116 1.155 1.00 12.00 H new ATOM 0 HZ3 LYS A 35 -16.777 13.459 2.780 1.00 12.00 H new ATOM 554 N ARG A 36 -20.777 11.529 1.453 1.00 12.00 N ATOM 555 CA ARG A 36 -21.240 11.818 0.054 1.00 12.00 C ATOM 556 C ARG A 36 -20.639 10.815 -0.935 1.00 12.00 C ATOM 557 O ARG A 36 -21.035 10.788 -2.091 1.00 12.00 O ATOM 558 CB ARG A 36 -20.794 13.227 -0.334 1.00 12.00 C ATOM 559 CG ARG A 36 -21.846 14.239 0.115 1.00 12.00 C ATOM 560 CD ARG A 36 -21.162 15.559 0.471 1.00 12.00 C ATOM 561 NE ARG A 36 -22.107 16.685 0.233 1.00 12.00 N ATOM 562 CZ ARG A 36 -22.328 17.557 1.175 1.00 12.00 C ATOM 563 NH1 ARG A 36 -21.350 18.301 1.613 1.00 12.00 N ATOM 564 NH2 ARG A 36 -23.524 17.683 1.681 1.00 12.00 N ATOM 0 H ARG A 36 -20.106 12.201 1.826 1.00 12.00 H new ATOM 0 HA ARG A 36 -22.326 11.736 0.019 1.00 12.00 H new ATOM 0 HB2 ARG A 36 -19.834 13.456 0.129 1.00 12.00 H new ATOM 0 HB3 ARG A 36 -20.651 13.290 -1.413 1.00 12.00 H new ATOM 0 HG2 ARG A 36 -22.576 14.398 -0.679 1.00 12.00 H new ATOM 0 HG3 ARG A 36 -22.391 13.855 0.977 1.00 12.00 H new ATOM 0 HD2 ARG A 36 -20.847 15.548 1.514 1.00 12.00 H new ATOM 0 HD3 ARG A 36 -20.263 15.690 -0.132 1.00 12.00 H new ATOM 0 HE ARG A 36 -22.580 16.773 -0.666 1.00 12.00 H new ATOM 0 HH11 ARG A 36 -20.415 18.199 1.218 1.00 12.00 H new ATOM 0 HH12 ARG A 36 -21.520 18.985 2.351 1.00 12.00 H new ATOM 0 HH21 ARG A 36 -24.287 17.098 1.339 1.00 12.00 H new ATOM 0 HH22 ARG A 36 -23.696 18.366 2.419 1.00 12.00 H new ATOM 578 N VAL A 37 -19.693 9.999 -0.504 1.00 12.00 N ATOM 579 CA VAL A 37 -19.073 9.007 -1.446 1.00 12.00 C ATOM 580 C VAL A 37 -18.411 7.859 -0.678 1.00 12.00 C ATOM 581 O VAL A 37 -17.591 8.065 0.202 1.00 12.00 O ATOM 582 CB VAL A 37 -18.028 9.721 -2.331 1.00 12.00 C ATOM 583 CG1 VAL A 37 -16.836 10.207 -1.493 1.00 12.00 C ATOM 584 CG2 VAL A 37 -17.529 8.748 -3.402 1.00 12.00 C ATOM 0 H VAL A 37 -19.330 9.980 0.449 1.00 12.00 H new ATOM 0 HA VAL A 37 -19.859 8.586 -2.073 1.00 12.00 H new ATOM 0 HB VAL A 37 -18.499 10.587 -2.795 1.00 12.00 H new ATOM 0 HG11 VAL A 37 -16.115 10.706 -2.141 1.00 12.00 H new ATOM 0 HG12 VAL A 37 -17.186 10.906 -0.733 1.00 12.00 H new ATOM 0 HG13 VAL A 37 -16.360 9.354 -1.009 1.00 12.00 H new ATOM 0 HG21 VAL A 37 -16.791 9.246 -4.030 1.00 12.00 H new ATOM 0 HG22 VAL A 37 -17.073 7.882 -2.923 1.00 12.00 H new ATOM 0 HG23 VAL A 37 -18.368 8.422 -4.017 1.00 12.00 H new ATOM 594 N ASN A 38 -18.743 6.654 -1.068 1.00 12.00 N ATOM 595 CA ASN A 38 -18.138 5.431 -0.461 1.00 12.00 C ATOM 596 C ASN A 38 -17.390 4.731 -1.593 1.00 12.00 C ATOM 597 O ASN A 38 -17.952 3.935 -2.333 1.00 12.00 O ATOM 598 CB ASN A 38 -19.222 4.508 0.123 1.00 12.00 C ATOM 599 CG ASN A 38 -18.695 3.863 1.406 1.00 12.00 C ATOM 600 OD1 ASN A 38 -17.901 2.945 1.357 1.00 12.00 O ATOM 601 ND2 ASN A 38 -19.110 4.305 2.561 1.00 12.00 N ATOM 0 H ASN A 38 -19.426 6.464 -1.801 1.00 12.00 H new ATOM 0 HA ASN A 38 -17.473 5.688 0.364 1.00 12.00 H new ATOM 0 HB2 ASN A 38 -20.127 5.078 0.333 1.00 12.00 H new ATOM 0 HB3 ASN A 38 -19.491 3.739 -0.601 1.00 12.00 H new ATOM 0 HD21 ASN A 38 -18.768 3.880 3.423 1.00 12.00 H new ATOM 0 HD22 ASN A 38 -19.777 5.076 2.602 1.00 12.00 H new ATOM 608 N THR A 39 -16.140 5.092 -1.766 1.00 12.00 N ATOM 609 CA THR A 39 -15.324 4.541 -2.882 1.00 12.00 C ATOM 610 C THR A 39 -14.714 3.189 -2.525 1.00 12.00 C ATOM 611 O THR A 39 -13.893 3.081 -1.629 1.00 12.00 O ATOM 612 CB THR A 39 -14.196 5.525 -3.204 1.00 12.00 C ATOM 613 OG1 THR A 39 -14.736 6.832 -3.338 1.00 12.00 O ATOM 614 CG2 THR A 39 -13.501 5.121 -4.508 1.00 12.00 C ATOM 0 H THR A 39 -15.648 5.756 -1.168 1.00 12.00 H new ATOM 0 HA THR A 39 -15.978 4.400 -3.742 1.00 12.00 H new ATOM 0 HB THR A 39 -13.466 5.510 -2.395 1.00 12.00 H new ATOM 0 HG1 THR A 39 -14.016 7.464 -3.542 1.00 12.00 H new ATOM 0 HG21 THR A 39 -12.701 5.827 -4.728 1.00 12.00 H new ATOM 0 HG22 THR A 39 -13.083 4.120 -4.402 1.00 12.00 H new ATOM 0 HG23 THR A 39 -14.225 5.128 -5.323 1.00 12.00 H new ATOM 622 N PHE A 40 -15.086 2.175 -3.269 1.00 12.00 N ATOM 623 CA PHE A 40 -14.521 0.806 -3.070 1.00 12.00 C ATOM 624 C PHE A 40 -13.438 0.609 -4.142 1.00 12.00 C ATOM 625 O PHE A 40 -13.467 1.281 -5.162 1.00 12.00 O ATOM 626 CB PHE A 40 -15.640 -0.231 -3.248 1.00 12.00 C ATOM 627 CG PHE A 40 -16.783 0.059 -2.295 1.00 12.00 C ATOM 628 CD1 PHE A 40 -16.529 0.319 -0.940 1.00 12.00 C ATOM 629 CD2 PHE A 40 -18.100 0.056 -2.767 1.00 12.00 C ATOM 630 CE1 PHE A 40 -17.591 0.577 -0.064 1.00 12.00 C ATOM 631 CE2 PHE A 40 -19.161 0.315 -1.888 1.00 12.00 C ATOM 632 CZ PHE A 40 -18.906 0.574 -0.538 1.00 12.00 C ATOM 0 H PHE A 40 -15.772 2.242 -4.021 1.00 12.00 H new ATOM 0 HA PHE A 40 -14.098 0.687 -2.073 1.00 12.00 H new ATOM 0 HB2 PHE A 40 -16.001 -0.213 -4.276 1.00 12.00 H new ATOM 0 HB3 PHE A 40 -15.250 -1.232 -3.065 1.00 12.00 H new ATOM 0 HD1 PHE A 40 -15.514 0.320 -0.572 1.00 12.00 H new ATOM 0 HD2 PHE A 40 -18.299 -0.146 -3.809 1.00 12.00 H new ATOM 0 HE1 PHE A 40 -17.394 0.778 0.979 1.00 12.00 H new ATOM 0 HE2 PHE A 40 -20.177 0.314 -2.254 1.00 12.00 H new ATOM 0 HZ PHE A 40 -19.725 0.772 0.138 1.00 12.00 H new ATOM 642 N ILE A 41 -12.480 -0.278 -3.931 1.00 12.00 N ATOM 643 CA ILE A 41 -11.407 -0.482 -4.961 1.00 12.00 C ATOM 644 C ILE A 41 -11.216 -1.983 -5.190 1.00 12.00 C ATOM 645 O ILE A 41 -11.031 -2.742 -4.254 1.00 12.00 O ATOM 646 CB ILE A 41 -10.108 0.180 -4.474 1.00 12.00 C ATOM 647 CG1 ILE A 41 -10.317 1.698 -4.435 1.00 12.00 C ATOM 648 CG2 ILE A 41 -8.951 -0.141 -5.430 1.00 12.00 C ATOM 649 CD1 ILE A 41 -9.290 2.337 -3.502 1.00 12.00 C ATOM 0 H ILE A 41 -12.399 -0.861 -3.098 1.00 12.00 H new ATOM 0 HA ILE A 41 -11.690 -0.022 -5.908 1.00 12.00 H new ATOM 0 HB ILE A 41 -9.861 -0.200 -3.483 1.00 12.00 H new ATOM 0 HG12 ILE A 41 -10.219 2.114 -5.438 1.00 12.00 H new ATOM 0 HG13 ILE A 41 -11.326 1.927 -4.092 1.00 12.00 H new ATOM 0 HG21 ILE A 41 -8.039 0.335 -5.070 1.00 12.00 H new ATOM 0 HG22 ILE A 41 -8.804 -1.220 -5.474 1.00 12.00 H new ATOM 0 HG23 ILE A 41 -9.187 0.233 -6.426 1.00 12.00 H new ATOM 0 HD11 ILE A 41 -9.442 3.416 -3.477 1.00 12.00 H new ATOM 0 HD12 ILE A 41 -9.409 1.931 -2.497 1.00 12.00 H new ATOM 0 HD13 ILE A 41 -8.285 2.121 -3.864 1.00 12.00 H new ATOM 661 N ILE A 42 -11.269 -2.402 -6.439 1.00 12.00 N ATOM 662 CA ILE A 42 -11.104 -3.855 -6.768 1.00 12.00 C ATOM 663 C ILE A 42 -9.734 -4.075 -7.422 1.00 12.00 C ATOM 664 O ILE A 42 -9.503 -3.695 -8.555 1.00 12.00 O ATOM 665 CB ILE A 42 -12.252 -4.315 -7.694 1.00 12.00 C ATOM 666 CG1 ILE A 42 -12.026 -5.768 -8.131 1.00 12.00 C ATOM 667 CG2 ILE A 42 -12.352 -3.421 -8.934 1.00 12.00 C ATOM 668 CD1 ILE A 42 -13.373 -6.417 -8.456 1.00 12.00 C ATOM 0 H ILE A 42 -11.420 -1.795 -7.245 1.00 12.00 H new ATOM 0 HA ILE A 42 -11.149 -4.452 -5.857 1.00 12.00 H new ATOM 0 HB ILE A 42 -13.185 -4.241 -7.135 1.00 12.00 H new ATOM 0 HG12 ILE A 42 -11.375 -5.799 -9.004 1.00 12.00 H new ATOM 0 HG13 ILE A 42 -11.524 -6.324 -7.339 1.00 12.00 H new ATOM 0 HG21 ILE A 42 -13.168 -3.768 -9.568 1.00 12.00 H new ATOM 0 HG22 ILE A 42 -12.543 -2.393 -8.627 1.00 12.00 H new ATOM 0 HG23 ILE A 42 -11.416 -3.465 -9.491 1.00 12.00 H new ATOM 0 HD11 ILE A 42 -13.214 -7.450 -8.767 1.00 12.00 H new ATOM 0 HD12 ILE A 42 -14.009 -6.398 -7.571 1.00 12.00 H new ATOM 0 HD13 ILE A 42 -13.857 -5.866 -9.262 1.00 12.00 H new ATOM 680 N SER A 43 -8.833 -4.690 -6.687 1.00 12.00 N ATOM 681 CA SER A 43 -7.452 -4.966 -7.204 1.00 12.00 C ATOM 682 C SER A 43 -6.624 -5.611 -6.089 1.00 12.00 C ATOM 683 O SER A 43 -6.899 -5.403 -4.918 1.00 12.00 O ATOM 684 CB SER A 43 -6.787 -3.652 -7.634 1.00 12.00 C ATOM 685 OG SER A 43 -5.452 -3.914 -8.046 1.00 12.00 O ATOM 0 H SER A 43 -9.000 -5.017 -5.735 1.00 12.00 H new ATOM 0 HA SER A 43 -7.510 -5.636 -8.062 1.00 12.00 H new ATOM 0 HB2 SER A 43 -7.349 -3.197 -8.450 1.00 12.00 H new ATOM 0 HB3 SER A 43 -6.792 -2.941 -6.808 1.00 12.00 H new ATOM 0 HG SER A 43 -5.188 -3.265 -8.731 1.00 12.00 H new ATOM 691 N SER A 44 -5.612 -6.386 -6.442 1.00 12.00 N ATOM 692 CA SER A 44 -4.757 -7.044 -5.400 1.00 12.00 C ATOM 693 C SER A 44 -4.047 -5.951 -4.593 1.00 12.00 C ATOM 694 O SER A 44 -3.409 -5.072 -5.148 1.00 12.00 O ATOM 695 CB SER A 44 -3.731 -7.977 -6.060 1.00 12.00 C ATOM 696 OG SER A 44 -3.096 -7.302 -7.134 1.00 12.00 O ATOM 0 H SER A 44 -5.347 -6.587 -7.406 1.00 12.00 H new ATOM 0 HA SER A 44 -5.378 -7.647 -4.738 1.00 12.00 H new ATOM 0 HB2 SER A 44 -2.989 -8.295 -5.327 1.00 12.00 H new ATOM 0 HB3 SER A 44 -4.225 -8.878 -6.424 1.00 12.00 H new ATOM 0 HG SER A 44 -3.017 -6.349 -6.920 1.00 12.00 H new ATOM 702 N ALA A 45 -4.189 -5.992 -3.285 1.00 12.00 N ATOM 703 CA ALA A 45 -3.567 -4.954 -2.396 1.00 12.00 C ATOM 704 C ALA A 45 -2.068 -4.822 -2.675 1.00 12.00 C ATOM 705 O ALA A 45 -1.482 -3.780 -2.430 1.00 12.00 O ATOM 706 CB ALA A 45 -3.764 -5.352 -0.930 1.00 12.00 C ATOM 0 H ALA A 45 -4.717 -6.711 -2.790 1.00 12.00 H new ATOM 0 HA ALA A 45 -4.050 -3.998 -2.598 1.00 12.00 H new ATOM 0 HB1 ALA A 45 -3.312 -4.599 -0.285 1.00 12.00 H new ATOM 0 HB2 ALA A 45 -4.830 -5.424 -0.713 1.00 12.00 H new ATOM 0 HB3 ALA A 45 -3.290 -6.317 -0.748 1.00 12.00 H new ATOM 712 N THR A 46 -1.446 -5.877 -3.154 1.00 12.00 N ATOM 713 CA THR A 46 0.027 -5.839 -3.419 1.00 12.00 C ATOM 714 C THR A 46 0.345 -5.143 -4.753 1.00 12.00 C ATOM 715 O THR A 46 1.364 -4.482 -4.858 1.00 12.00 O ATOM 716 CB THR A 46 0.591 -7.256 -3.384 1.00 12.00 C ATOM 717 OG1 THR A 46 1.980 -7.218 -3.680 1.00 12.00 O ATOM 718 CG2 THR A 46 -0.129 -8.141 -4.406 1.00 12.00 C ATOM 0 H THR A 46 -1.899 -6.764 -3.373 1.00 12.00 H new ATOM 0 HA THR A 46 0.505 -5.250 -2.636 1.00 12.00 H new ATOM 0 HB THR A 46 0.438 -7.674 -2.389 1.00 12.00 H new ATOM 0 HG1 THR A 46 2.344 -8.127 -3.656 1.00 12.00 H new ATOM 0 HG21 THR A 46 0.284 -9.149 -4.370 1.00 12.00 H new ATOM 0 HG22 THR A 46 -1.193 -8.176 -4.171 1.00 12.00 H new ATOM 0 HG23 THR A 46 0.009 -7.728 -5.405 1.00 12.00 H new ATOM 726 N THR A 47 -0.517 -5.239 -5.760 1.00 12.00 N ATOM 727 CA THR A 47 -0.239 -4.521 -7.057 1.00 12.00 C ATOM 728 C THR A 47 -0.203 -3.031 -6.736 1.00 12.00 C ATOM 729 O THR A 47 0.649 -2.292 -7.213 1.00 12.00 O ATOM 730 CB THR A 47 -1.332 -4.796 -8.099 1.00 12.00 C ATOM 731 OG1 THR A 47 -2.594 -4.902 -7.461 1.00 12.00 O ATOM 732 CG2 THR A 47 -1.016 -6.094 -8.844 1.00 12.00 C ATOM 0 H THR A 47 -1.384 -5.775 -5.736 1.00 12.00 H new ATOM 0 HA THR A 47 0.703 -4.869 -7.480 1.00 12.00 H new ATOM 0 HB THR A 47 -1.364 -3.971 -8.811 1.00 12.00 H new ATOM 0 HG1 THR A 47 -2.554 -4.470 -6.582 1.00 12.00 H new ATOM 0 HG21 THR A 47 -1.793 -6.288 -9.583 1.00 12.00 H new ATOM 0 HG22 THR A 47 -0.053 -6.000 -9.346 1.00 12.00 H new ATOM 0 HG23 THR A 47 -0.976 -6.920 -8.134 1.00 12.00 H new ATOM 740 N VAL A 48 -1.110 -2.612 -5.883 1.00 12.00 N ATOM 741 CA VAL A 48 -1.150 -1.188 -5.451 1.00 12.00 C ATOM 742 C VAL A 48 0.076 -0.926 -4.577 1.00 12.00 C ATOM 743 O VAL A 48 0.661 0.142 -4.613 1.00 12.00 O ATOM 744 CB VAL A 48 -2.419 -0.930 -4.639 1.00 12.00 C ATOM 745 CG1 VAL A 48 -2.519 0.564 -4.305 1.00 12.00 C ATOM 746 CG2 VAL A 48 -3.639 -1.370 -5.460 1.00 12.00 C ATOM 0 H VAL A 48 -1.828 -3.206 -5.468 1.00 12.00 H new ATOM 0 HA VAL A 48 -1.149 -0.529 -6.320 1.00 12.00 H new ATOM 0 HB VAL A 48 -2.386 -1.498 -3.709 1.00 12.00 H new ATOM 0 HG11 VAL A 48 -3.424 0.748 -3.726 1.00 12.00 H new ATOM 0 HG12 VAL A 48 -1.648 0.866 -3.723 1.00 12.00 H new ATOM 0 HG13 VAL A 48 -2.556 1.142 -5.229 1.00 12.00 H new ATOM 0 HG21 VAL A 48 -4.548 -1.189 -4.887 1.00 12.00 H new ATOM 0 HG22 VAL A 48 -3.677 -0.801 -6.389 1.00 12.00 H new ATOM 0 HG23 VAL A 48 -3.560 -2.433 -5.688 1.00 12.00 H new ATOM 756 N LYS A 49 0.475 -1.917 -3.800 1.00 12.00 N ATOM 757 CA LYS A 49 1.678 -1.774 -2.918 1.00 12.00 C ATOM 758 C LYS A 49 2.897 -1.423 -3.788 1.00 12.00 C ATOM 759 O LYS A 49 3.842 -0.812 -3.319 1.00 12.00 O ATOM 760 CB LYS A 49 1.922 -3.095 -2.164 1.00 12.00 C ATOM 761 CG LYS A 49 3.136 -2.966 -1.239 1.00 12.00 C ATOM 762 CD LYS A 49 3.783 -4.341 -1.061 1.00 12.00 C ATOM 763 CE LYS A 49 5.105 -4.189 -0.304 1.00 12.00 C ATOM 764 NZ LYS A 49 5.935 -5.414 -0.493 1.00 12.00 N ATOM 0 H LYS A 49 0.011 -2.824 -3.743 1.00 12.00 H new ATOM 0 HA LYS A 49 1.516 -0.980 -2.189 1.00 12.00 H new ATOM 0 HB2 LYS A 49 1.039 -3.357 -1.581 1.00 12.00 H new ATOM 0 HB3 LYS A 49 2.084 -3.903 -2.877 1.00 12.00 H new ATOM 0 HG2 LYS A 49 3.856 -2.264 -1.660 1.00 12.00 H new ATOM 0 HG3 LYS A 49 2.830 -2.567 -0.272 1.00 12.00 H new ATOM 0 HD2 LYS A 49 3.112 -5.002 -0.513 1.00 12.00 H new ATOM 0 HD3 LYS A 49 3.959 -4.800 -2.034 1.00 12.00 H new ATOM 0 HE2 LYS A 49 5.644 -3.313 -0.666 1.00 12.00 H new ATOM 0 HE3 LYS A 49 4.912 -4.029 0.757 1.00 12.00 H new ATOM 0 HZ1 LYS A 49 6.832 -5.308 0.022 1.00 12.00 H new ATOM 0 HZ2 LYS A 49 5.421 -6.241 -0.128 1.00 12.00 H new ATOM 0 HZ3 LYS A 49 6.131 -5.548 -1.506 1.00 12.00 H new ATOM 778 N ALA A 50 2.868 -1.799 -5.057 1.00 12.00 N ATOM 779 CA ALA A 50 4.005 -1.491 -5.976 1.00 12.00 C ATOM 780 C ALA A 50 3.892 -0.044 -6.473 1.00 12.00 C ATOM 781 O ALA A 50 4.896 0.617 -6.680 1.00 12.00 O ATOM 782 CB ALA A 50 3.984 -2.463 -7.165 1.00 12.00 C ATOM 0 H ALA A 50 2.097 -2.308 -5.488 1.00 12.00 H new ATOM 0 HA ALA A 50 4.947 -1.607 -5.440 1.00 12.00 H new ATOM 0 HB1 ALA A 50 4.814 -2.237 -7.834 1.00 12.00 H new ATOM 0 HB2 ALA A 50 4.080 -3.486 -6.801 1.00 12.00 H new ATOM 0 HB3 ALA A 50 3.043 -2.357 -7.705 1.00 12.00 H new ATOM 788 N ILE A 51 2.679 0.448 -6.676 1.00 12.00 N ATOM 789 CA ILE A 51 2.495 1.855 -7.175 1.00 12.00 C ATOM 790 C ILE A 51 2.977 2.873 -6.117 1.00 12.00 C ATOM 791 O ILE A 51 3.411 3.962 -6.461 1.00 12.00 O ATOM 792 CB ILE A 51 1.010 2.078 -7.559 1.00 12.00 C ATOM 793 CG1 ILE A 51 0.874 3.337 -8.446 1.00 12.00 C ATOM 794 CG2 ILE A 51 0.104 2.191 -6.319 1.00 12.00 C ATOM 795 CD1 ILE A 51 1.091 4.632 -7.643 1.00 12.00 C ATOM 0 H ILE A 51 1.813 -0.067 -6.516 1.00 12.00 H new ATOM 0 HA ILE A 51 3.103 2.009 -8.067 1.00 12.00 H new ATOM 0 HB ILE A 51 0.679 1.205 -8.122 1.00 12.00 H new ATOM 0 HG12 ILE A 51 1.599 3.288 -9.259 1.00 12.00 H new ATOM 0 HG13 ILE A 51 -0.116 3.354 -8.902 1.00 12.00 H new ATOM 0 HG21 ILE A 51 -0.928 2.347 -6.635 1.00 12.00 H new ATOM 0 HG22 ILE A 51 0.170 1.273 -5.735 1.00 12.00 H new ATOM 0 HG23 ILE A 51 0.427 3.034 -5.708 1.00 12.00 H new ATOM 0 HD11 ILE A 51 0.987 5.492 -8.304 1.00 12.00 H new ATOM 0 HD12 ILE A 51 0.350 4.695 -6.846 1.00 12.00 H new ATOM 0 HD13 ILE A 51 2.091 4.628 -7.209 1.00 12.00 H new ATOM 807 N CYS A 52 2.913 2.527 -4.842 1.00 12.00 N ATOM 808 CA CYS A 52 3.363 3.468 -3.763 1.00 12.00 C ATOM 809 C CYS A 52 4.772 3.086 -3.272 1.00 12.00 C ATOM 810 O CYS A 52 5.176 3.479 -2.189 1.00 12.00 O ATOM 811 CB CYS A 52 2.373 3.414 -2.586 1.00 12.00 C ATOM 812 SG CYS A 52 1.943 5.093 -2.050 1.00 12.00 S ATOM 0 H CYS A 52 2.566 1.628 -4.507 1.00 12.00 H new ATOM 0 HA CYS A 52 3.395 4.479 -4.168 1.00 12.00 H new ATOM 0 HB2 CYS A 52 1.472 2.878 -2.884 1.00 12.00 H new ATOM 0 HB3 CYS A 52 2.813 2.861 -1.756 1.00 12.00 H new ATOM 817 N THR A 53 5.521 2.337 -4.062 1.00 12.00 N ATOM 818 CA THR A 53 6.909 1.937 -3.648 1.00 12.00 C ATOM 819 C THR A 53 7.888 3.048 -4.036 1.00 12.00 C ATOM 820 O THR A 53 8.112 3.293 -5.211 1.00 12.00 O ATOM 821 CB THR A 53 7.313 0.636 -4.355 1.00 12.00 C ATOM 822 OG1 THR A 53 6.295 -0.338 -4.178 1.00 12.00 O ATOM 823 CG2 THR A 53 8.625 0.119 -3.761 1.00 12.00 C ATOM 0 H THR A 53 5.228 1.988 -4.974 1.00 12.00 H new ATOM 0 HA THR A 53 6.932 1.780 -2.570 1.00 12.00 H new ATOM 0 HB THR A 53 7.447 0.829 -5.419 1.00 12.00 H new ATOM 0 HG1 THR A 53 5.606 0.015 -3.577 1.00 12.00 H new ATOM 0 HG21 THR A 53 8.912 -0.805 -4.263 1.00 12.00 H new ATOM 0 HG22 THR A 53 9.407 0.866 -3.900 1.00 12.00 H new ATOM 0 HG23 THR A 53 8.492 -0.073 -2.696 1.00 12.00 H new ATOM 831 N GLY A 54 8.464 3.722 -3.054 1.00 12.00 N ATOM 832 CA GLY A 54 9.428 4.831 -3.355 1.00 12.00 C ATOM 833 C GLY A 54 10.331 5.116 -2.146 1.00 12.00 C ATOM 834 O GLY A 54 11.539 4.958 -2.232 1.00 12.00 O ATOM 0 H GLY A 54 8.305 3.548 -2.062 1.00 12.00 H new ATOM 0 HA2 GLY A 54 10.040 4.562 -4.216 1.00 12.00 H new ATOM 0 HA3 GLY A 54 8.878 5.733 -3.624 1.00 12.00 H new ATOM 838 N VAL A 55 9.762 5.553 -1.035 1.00 12.00 N ATOM 839 CA VAL A 55 10.587 5.875 0.178 1.00 12.00 C ATOM 840 C VAL A 55 9.680 5.832 1.438 1.00 12.00 C ATOM 841 O VAL A 55 8.566 5.336 1.367 1.00 12.00 O ATOM 842 CB VAL A 55 11.248 7.261 -0.057 1.00 12.00 C ATOM 843 CG1 VAL A 55 10.275 8.413 0.230 1.00 12.00 C ATOM 844 CG2 VAL A 55 12.500 7.405 0.818 1.00 12.00 C ATOM 0 H VAL A 55 8.759 5.699 -0.921 1.00 12.00 H new ATOM 0 HA VAL A 55 11.380 5.146 0.344 1.00 12.00 H new ATOM 0 HB VAL A 55 11.530 7.316 -1.109 1.00 12.00 H new ATOM 0 HG11 VAL A 55 10.776 9.365 0.054 1.00 12.00 H new ATOM 0 HG12 VAL A 55 9.410 8.331 -0.428 1.00 12.00 H new ATOM 0 HG13 VAL A 55 9.947 8.362 1.268 1.00 12.00 H new ATOM 0 HG21 VAL A 55 12.955 8.380 0.645 1.00 12.00 H new ATOM 0 HG22 VAL A 55 12.222 7.316 1.868 1.00 12.00 H new ATOM 0 HG23 VAL A 55 13.214 6.622 0.564 1.00 12.00 H new ATOM 854 N ILE A 56 10.142 6.327 2.586 1.00 12.00 N ATOM 855 CA ILE A 56 9.303 6.292 3.842 1.00 12.00 C ATOM 856 C ILE A 56 8.399 7.549 3.941 1.00 12.00 C ATOM 857 O ILE A 56 8.024 7.971 5.022 1.00 12.00 O ATOM 858 CB ILE A 56 10.246 6.212 5.059 1.00 12.00 C ATOM 859 CG1 ILE A 56 9.427 6.068 6.347 1.00 12.00 C ATOM 860 CG2 ILE A 56 11.113 7.477 5.140 1.00 12.00 C ATOM 861 CD1 ILE A 56 10.176 5.175 7.337 1.00 12.00 C ATOM 0 H ILE A 56 11.063 6.751 2.700 1.00 12.00 H new ATOM 0 HA ILE A 56 8.650 5.419 3.818 1.00 12.00 H new ATOM 0 HB ILE A 56 10.893 5.342 4.944 1.00 12.00 H new ATOM 0 HG12 ILE A 56 9.250 7.049 6.789 1.00 12.00 H new ATOM 0 HG13 ILE A 56 8.450 5.639 6.122 1.00 12.00 H new ATOM 0 HG21 ILE A 56 11.775 7.410 6.003 1.00 12.00 H new ATOM 0 HG22 ILE A 56 11.709 7.568 4.232 1.00 12.00 H new ATOM 0 HG23 ILE A 56 10.471 8.352 5.242 1.00 12.00 H new ATOM 0 HD11 ILE A 56 9.591 5.075 8.251 1.00 12.00 H new ATOM 0 HD12 ILE A 56 10.330 4.191 6.895 1.00 12.00 H new ATOM 0 HD13 ILE A 56 11.142 5.622 7.572 1.00 12.00 H new ATOM 873 N ASN A 57 8.050 8.126 2.810 1.00 12.00 N ATOM 874 CA ASN A 57 7.172 9.352 2.756 1.00 12.00 C ATOM 875 C ASN A 57 7.146 9.809 1.295 1.00 12.00 C ATOM 876 O ASN A 57 8.187 10.111 0.733 1.00 12.00 O ATOM 877 CB ASN A 57 7.769 10.472 3.613 1.00 12.00 C ATOM 878 CG ASN A 57 6.674 11.471 3.992 1.00 12.00 C ATOM 879 OD1 ASN A 57 5.850 11.832 3.175 1.00 12.00 O ATOM 880 ND2 ASN A 57 6.632 11.939 5.210 1.00 12.00 N ATOM 0 H ASN A 57 8.345 7.789 1.894 1.00 12.00 H new ATOM 0 HA ASN A 57 6.174 9.125 3.131 1.00 12.00 H new ATOM 0 HB2 ASN A 57 8.220 10.053 4.513 1.00 12.00 H new ATOM 0 HB3 ASN A 57 8.563 10.979 3.065 1.00 12.00 H new ATOM 0 HD21 ASN A 57 5.908 12.607 5.475 1.00 12.00 H new ATOM 0 HD22 ASN A 57 7.323 11.637 5.897 1.00 12.00 H new ATOM 887 N MET A 58 5.986 9.832 0.667 1.00 12.00 N ATOM 888 CA MET A 58 5.922 10.236 -0.780 1.00 12.00 C ATOM 889 C MET A 58 4.503 10.636 -1.189 1.00 12.00 C ATOM 890 O MET A 58 3.557 10.503 -0.430 1.00 12.00 O ATOM 891 CB MET A 58 6.371 9.043 -1.636 1.00 12.00 C ATOM 892 CG MET A 58 7.153 9.531 -2.858 1.00 12.00 C ATOM 893 SD MET A 58 6.428 8.821 -4.357 1.00 12.00 S ATOM 894 CE MET A 58 7.790 9.228 -5.477 1.00 12.00 C ATOM 0 H MET A 58 5.090 9.591 1.090 1.00 12.00 H new ATOM 0 HA MET A 58 6.573 11.097 -0.931 1.00 12.00 H new ATOM 0 HB2 MET A 58 6.993 8.374 -1.041 1.00 12.00 H new ATOM 0 HB3 MET A 58 5.502 8.469 -1.957 1.00 12.00 H new ATOM 0 HG2 MET A 58 7.128 10.620 -2.909 1.00 12.00 H new ATOM 0 HG3 MET A 58 8.200 9.240 -2.774 1.00 12.00 H new ATOM 0 HE1 MET A 58 7.553 8.875 -6.481 1.00 12.00 H new ATOM 0 HE2 MET A 58 7.934 10.308 -5.497 1.00 12.00 H new ATOM 0 HE3 MET A 58 8.704 8.746 -5.129 1.00 12.00 H new ATOM 904 N ASN A 59 4.370 11.095 -2.413 1.00 12.00 N ATOM 905 CA ASN A 59 3.040 11.493 -2.976 1.00 12.00 C ATOM 906 C ASN A 59 3.007 11.048 -4.443 1.00 12.00 C ATOM 907 O ASN A 59 3.746 11.569 -5.262 1.00 12.00 O ATOM 908 CB ASN A 59 2.879 13.014 -2.885 1.00 12.00 C ATOM 909 CG ASN A 59 4.084 13.694 -3.538 1.00 12.00 C ATOM 910 OD1 ASN A 59 5.124 13.832 -2.925 1.00 12.00 O ATOM 911 ND2 ASN A 59 3.985 14.131 -4.762 1.00 12.00 N ATOM 0 H ASN A 59 5.149 11.213 -3.061 1.00 12.00 H new ATOM 0 HA ASN A 59 2.227 11.027 -2.419 1.00 12.00 H new ATOM 0 HB2 ASN A 59 1.960 13.324 -3.382 1.00 12.00 H new ATOM 0 HB3 ASN A 59 2.796 13.320 -1.842 1.00 12.00 H new ATOM 0 HD21 ASN A 59 4.781 14.589 -5.206 1.00 12.00 H new ATOM 0 HD22 ASN A 59 3.112 14.015 -5.276 1.00 12.00 H new ATOM 918 N VAL A 60 2.182 10.068 -4.764 1.00 12.00 N ATOM 919 CA VAL A 60 2.117 9.547 -6.169 1.00 12.00 C ATOM 920 C VAL A 60 0.656 9.262 -6.544 1.00 12.00 C ATOM 921 O VAL A 60 -0.207 9.259 -5.684 1.00 12.00 O ATOM 922 CB VAL A 60 2.953 8.256 -6.233 1.00 12.00 C ATOM 923 CG1 VAL A 60 2.387 7.220 -5.256 1.00 12.00 C ATOM 924 CG2 VAL A 60 2.932 7.682 -7.651 1.00 12.00 C ATOM 0 H VAL A 60 1.551 9.608 -4.108 1.00 12.00 H new ATOM 0 HA VAL A 60 2.512 10.279 -6.873 1.00 12.00 H new ATOM 0 HB VAL A 60 3.981 8.492 -5.958 1.00 12.00 H new ATOM 0 HG11 VAL A 60 2.983 6.309 -5.306 1.00 12.00 H new ATOM 0 HG12 VAL A 60 2.420 7.620 -4.242 1.00 12.00 H new ATOM 0 HG13 VAL A 60 1.355 6.994 -5.523 1.00 12.00 H new ATOM 0 HG21 VAL A 60 3.527 6.769 -7.683 1.00 12.00 H new ATOM 0 HG22 VAL A 60 1.905 7.456 -7.937 1.00 12.00 H new ATOM 0 HG23 VAL A 60 3.349 8.412 -8.345 1.00 12.00 H new ATOM 934 N LEU A 61 0.376 9.035 -7.817 1.00 12.00 N ATOM 935 CA LEU A 61 -1.031 8.759 -8.249 1.00 12.00 C ATOM 936 C LEU A 61 -1.086 7.609 -9.256 1.00 12.00 C ATOM 937 O LEU A 61 -0.383 7.606 -10.252 1.00 12.00 O ATOM 938 CB LEU A 61 -1.635 10.013 -8.898 1.00 12.00 C ATOM 939 CG LEU A 61 -0.679 10.568 -9.962 1.00 12.00 C ATOM 940 CD1 LEU A 61 -1.479 11.055 -11.175 1.00 12.00 C ATOM 941 CD2 LEU A 61 0.113 11.740 -9.376 1.00 12.00 C ATOM 0 H LEU A 61 1.065 9.031 -8.569 1.00 12.00 H new ATOM 0 HA LEU A 61 -1.602 8.481 -7.363 1.00 12.00 H new ATOM 0 HB2 LEU A 61 -2.596 9.770 -9.352 1.00 12.00 H new ATOM 0 HB3 LEU A 61 -1.824 10.770 -8.137 1.00 12.00 H new ATOM 0 HG LEU A 61 0.007 9.780 -10.273 1.00 12.00 H new ATOM 0 HD11 LEU A 61 -0.796 11.448 -11.928 1.00 12.00 H new ATOM 0 HD12 LEU A 61 -2.043 10.223 -11.596 1.00 12.00 H new ATOM 0 HD13 LEU A 61 -2.168 11.841 -10.865 1.00 12.00 H new ATOM 0 HD21 LEU A 61 0.792 12.134 -10.132 1.00 12.00 H new ATOM 0 HD22 LEU A 61 -0.576 12.524 -9.063 1.00 12.00 H new ATOM 0 HD23 LEU A 61 0.688 11.397 -8.516 1.00 12.00 H new ATOM 953 N SER A 62 -1.962 6.650 -9.009 1.00 12.00 N ATOM 954 CA SER A 62 -2.140 5.496 -9.958 1.00 12.00 C ATOM 955 C SER A 62 -2.558 6.079 -11.314 1.00 12.00 C ATOM 956 O SER A 62 -3.694 6.493 -11.476 1.00 12.00 O ATOM 957 CB SER A 62 -3.238 4.544 -9.453 1.00 12.00 C ATOM 958 OG SER A 62 -4.110 5.213 -8.548 1.00 12.00 O ATOM 0 H SER A 62 -2.563 6.620 -8.185 1.00 12.00 H new ATOM 0 HA SER A 62 -1.211 4.931 -10.038 1.00 12.00 H new ATOM 0 HB2 SER A 62 -3.809 4.159 -10.298 1.00 12.00 H new ATOM 0 HB3 SER A 62 -2.783 3.686 -8.959 1.00 12.00 H new ATOM 0 HG SER A 62 -3.753 5.143 -7.638 1.00 12.00 H new ATOM 964 N THR A 63 -1.639 6.152 -12.261 1.00 12.00 N ATOM 965 CA THR A 63 -1.954 6.745 -13.602 1.00 12.00 C ATOM 966 C THR A 63 -2.506 5.671 -14.539 1.00 12.00 C ATOM 967 O THR A 63 -3.394 5.936 -15.334 1.00 12.00 O ATOM 968 CB THR A 63 -0.678 7.340 -14.215 1.00 12.00 C ATOM 969 OG1 THR A 63 0.429 6.497 -13.925 1.00 12.00 O ATOM 970 CG2 THR A 63 -0.422 8.737 -13.637 1.00 12.00 C ATOM 0 H THR A 63 -0.679 5.822 -12.156 1.00 12.00 H new ATOM 0 HA THR A 63 -2.702 7.527 -13.472 1.00 12.00 H new ATOM 0 HB THR A 63 -0.805 7.417 -15.295 1.00 12.00 H new ATOM 0 HG1 THR A 63 1.242 6.878 -14.318 1.00 12.00 H new ATOM 0 HG21 THR A 63 0.485 9.152 -14.077 1.00 12.00 H new ATOM 0 HG22 THR A 63 -1.267 9.386 -13.867 1.00 12.00 H new ATOM 0 HG23 THR A 63 -0.302 8.667 -12.556 1.00 12.00 H new ATOM 978 N THR A 64 -1.982 4.465 -14.450 1.00 12.00 N ATOM 979 CA THR A 64 -2.459 3.352 -15.331 1.00 12.00 C ATOM 980 C THR A 64 -3.966 3.138 -15.086 1.00 12.00 C ATOM 981 O THR A 64 -4.774 3.849 -15.660 1.00 12.00 O ATOM 982 CB THR A 64 -1.642 2.083 -15.034 1.00 12.00 C ATOM 983 OG1 THR A 64 -0.267 2.348 -15.273 1.00 12.00 O ATOM 984 CG2 THR A 64 -2.106 0.946 -15.946 1.00 12.00 C ATOM 0 H THR A 64 -1.240 4.207 -13.799 1.00 12.00 H new ATOM 0 HA THR A 64 -2.316 3.599 -16.383 1.00 12.00 H new ATOM 0 HB THR A 64 -1.787 1.792 -13.994 1.00 12.00 H new ATOM 0 HG1 THR A 64 0.259 1.543 -15.084 1.00 12.00 H new ATOM 0 HG21 THR A 64 -1.525 0.049 -15.733 1.00 12.00 H new ATOM 0 HG22 THR A 64 -3.162 0.745 -15.768 1.00 12.00 H new ATOM 0 HG23 THR A 64 -1.961 1.233 -16.988 1.00 12.00 H new ATOM 992 N ARG A 65 -4.350 2.199 -14.231 1.00 12.00 N ATOM 993 CA ARG A 65 -5.804 1.966 -13.938 1.00 12.00 C ATOM 994 C ARG A 65 -5.950 0.780 -12.979 1.00 12.00 C ATOM 995 O ARG A 65 -5.825 -0.369 -13.376 1.00 12.00 O ATOM 996 CB ARG A 65 -6.573 1.676 -15.239 1.00 12.00 C ATOM 997 CG ARG A 65 -5.989 0.445 -15.944 1.00 12.00 C ATOM 998 CD ARG A 65 -5.827 0.732 -17.438 1.00 12.00 C ATOM 999 NE ARG A 65 -5.726 -0.553 -18.182 1.00 12.00 N ATOM 1000 CZ ARG A 65 -4.649 -0.824 -18.865 1.00 12.00 C ATOM 1001 NH1 ARG A 65 -3.502 -0.941 -18.252 1.00 12.00 N ATOM 1002 NH2 ARG A 65 -4.717 -0.974 -20.159 1.00 12.00 N ATOM 0 H ARG A 65 -3.710 1.586 -13.726 1.00 12.00 H new ATOM 0 HA ARG A 65 -6.219 2.863 -13.477 1.00 12.00 H new ATOM 0 HB2 ARG A 65 -7.627 1.509 -15.016 1.00 12.00 H new ATOM 0 HB3 ARG A 65 -6.520 2.541 -15.900 1.00 12.00 H new ATOM 0 HG2 ARG A 65 -5.024 0.188 -15.507 1.00 12.00 H new ATOM 0 HG3 ARG A 65 -6.644 -0.414 -15.798 1.00 12.00 H new ATOM 0 HD2 ARG A 65 -6.676 1.310 -17.802 1.00 12.00 H new ATOM 0 HD3 ARG A 65 -4.935 1.335 -17.609 1.00 12.00 H new ATOM 0 HE ARG A 65 -6.497 -1.220 -18.158 1.00 12.00 H new ATOM 0 HH11 ARG A 65 -3.450 -0.820 -17.241 1.00 12.00 H new ATOM 0 HH12 ARG A 65 -2.658 -1.153 -18.785 1.00 12.00 H new ATOM 0 HH21 ARG A 65 -5.613 -0.879 -20.637 1.00 12.00 H new ATOM 0 HH22 ARG A 65 -3.874 -1.186 -20.693 1.00 12.00 H new ATOM 1016 N PHE A 66 -6.216 1.056 -11.719 1.00 12.00 N ATOM 1017 CA PHE A 66 -6.380 -0.052 -10.714 1.00 12.00 C ATOM 1018 C PHE A 66 -7.891 -0.361 -10.532 1.00 12.00 C ATOM 1019 O PHE A 66 -8.354 -0.593 -9.433 1.00 12.00 O ATOM 1020 CB PHE A 66 -5.742 0.377 -9.376 1.00 12.00 C ATOM 1021 CG PHE A 66 -4.222 0.341 -9.489 1.00 12.00 C ATOM 1022 CD1 PHE A 66 -3.530 1.421 -10.066 1.00 12.00 C ATOM 1023 CD2 PHE A 66 -3.501 -0.772 -9.019 1.00 12.00 C ATOM 1024 CE1 PHE A 66 -2.134 1.385 -10.172 1.00 12.00 C ATOM 1025 CE2 PHE A 66 -2.104 -0.802 -9.131 1.00 12.00 C ATOM 1026 CZ PHE A 66 -1.423 0.276 -9.706 1.00 12.00 C ATOM 0 H PHE A 66 -6.326 1.998 -11.344 1.00 12.00 H new ATOM 0 HA PHE A 66 -5.881 -0.955 -11.065 1.00 12.00 H new ATOM 0 HB2 PHE A 66 -6.072 1.382 -9.112 1.00 12.00 H new ATOM 0 HB3 PHE A 66 -6.072 -0.287 -8.577 1.00 12.00 H new ATOM 0 HD1 PHE A 66 -4.076 2.280 -10.428 1.00 12.00 H new ATOM 0 HD2 PHE A 66 -4.024 -1.604 -8.572 1.00 12.00 H new ATOM 0 HE1 PHE A 66 -1.606 2.216 -10.615 1.00 12.00 H new ATOM 0 HE2 PHE A 66 -1.553 -1.659 -8.773 1.00 12.00 H new ATOM 0 HZ PHE A 66 -0.347 0.251 -9.790 1.00 12.00 H new ATOM 1036 N GLN A 67 -8.638 -0.381 -11.637 1.00 12.00 N ATOM 1037 CA GLN A 67 -10.132 -0.682 -11.653 1.00 12.00 C ATOM 1038 C GLN A 67 -10.849 -0.403 -10.312 1.00 12.00 C ATOM 1039 O GLN A 67 -10.717 -1.172 -9.371 1.00 12.00 O ATOM 1040 CB GLN A 67 -10.330 -2.158 -12.017 1.00 12.00 C ATOM 1041 CG GLN A 67 -10.449 -2.306 -13.538 1.00 12.00 C ATOM 1042 CD GLN A 67 -9.101 -2.733 -14.123 1.00 12.00 C ATOM 1043 OE1 GLN A 67 -8.248 -1.906 -14.379 1.00 12.00 O ATOM 1044 NE2 GLN A 67 -8.871 -3.998 -14.347 1.00 12.00 N ATOM 0 H GLN A 67 -8.255 -0.193 -12.564 1.00 12.00 H new ATOM 0 HA GLN A 67 -10.576 -0.011 -12.388 1.00 12.00 H new ATOM 0 HB2 GLN A 67 -9.491 -2.748 -11.649 1.00 12.00 H new ATOM 0 HB3 GLN A 67 -11.227 -2.544 -11.533 1.00 12.00 H new ATOM 0 HG2 GLN A 67 -11.212 -3.045 -13.782 1.00 12.00 H new ATOM 0 HG3 GLN A 67 -10.766 -1.362 -13.981 1.00 12.00 H new ATOM 0 HE21 GLN A 67 -9.587 -4.692 -14.132 1.00 12.00 H new ATOM 0 HE22 GLN A 67 -7.976 -4.292 -14.737 1.00 12.00 H new ATOM 1053 N LEU A 68 -11.629 0.673 -10.227 1.00 12.00 N ATOM 1054 CA LEU A 68 -12.360 0.970 -8.951 1.00 12.00 C ATOM 1055 C LEU A 68 -13.858 0.637 -9.058 1.00 12.00 C ATOM 1056 O LEU A 68 -14.443 0.627 -10.131 1.00 12.00 O ATOM 1057 CB LEU A 68 -12.194 2.454 -8.528 1.00 12.00 C ATOM 1058 CG LEU A 68 -12.393 3.467 -9.685 1.00 12.00 C ATOM 1059 CD1 LEU A 68 -13.622 3.144 -10.537 1.00 12.00 C ATOM 1060 CD2 LEU A 68 -12.604 4.856 -9.073 1.00 12.00 C ATOM 0 H LEU A 68 -11.782 1.342 -10.981 1.00 12.00 H new ATOM 0 HA LEU A 68 -11.913 0.332 -8.189 1.00 12.00 H new ATOM 0 HB2 LEU A 68 -12.909 2.677 -7.736 1.00 12.00 H new ATOM 0 HB3 LEU A 68 -11.198 2.591 -8.106 1.00 12.00 H new ATOM 0 HG LEU A 68 -11.511 3.421 -10.324 1.00 12.00 H new ATOM 0 HD11 LEU A 68 -13.717 3.882 -11.333 1.00 12.00 H new ATOM 0 HD12 LEU A 68 -13.511 2.152 -10.974 1.00 12.00 H new ATOM 0 HD13 LEU A 68 -14.515 3.168 -9.912 1.00 12.00 H new ATOM 0 HD21 LEU A 68 -12.746 5.587 -9.869 1.00 12.00 H new ATOM 0 HD22 LEU A 68 -13.486 4.841 -8.432 1.00 12.00 H new ATOM 0 HD23 LEU A 68 -11.730 5.130 -8.482 1.00 12.00 H new ATOM 1072 N ASN A 69 -14.470 0.414 -7.919 1.00 12.00 N ATOM 1073 CA ASN A 69 -15.942 0.146 -7.845 1.00 12.00 C ATOM 1074 C ASN A 69 -16.512 1.301 -7.022 1.00 12.00 C ATOM 1075 O ASN A 69 -16.361 1.320 -5.816 1.00 12.00 O ATOM 1076 CB ASN A 69 -16.214 -1.183 -7.123 1.00 12.00 C ATOM 1077 CG ASN A 69 -17.564 -1.745 -7.573 1.00 12.00 C ATOM 1078 OD1 ASN A 69 -18.579 -1.495 -6.955 1.00 12.00 O ATOM 1079 ND2 ASN A 69 -17.616 -2.506 -8.632 1.00 12.00 N ATOM 0 H ASN A 69 -13.998 0.407 -7.015 1.00 12.00 H new ATOM 0 HA ASN A 69 -16.389 0.074 -8.836 1.00 12.00 H new ATOM 0 HB2 ASN A 69 -15.420 -1.897 -7.343 1.00 12.00 H new ATOM 0 HB3 ASN A 69 -16.214 -1.029 -6.044 1.00 12.00 H new ATOM 0 HD21 ASN A 69 -18.509 -2.891 -8.940 1.00 12.00 H new ATOM 0 HD22 ASN A 69 -16.764 -2.716 -9.151 1.00 12.00 H new ATOM 1086 N THR A 70 -17.101 2.294 -7.657 1.00 12.00 N ATOM 1087 CA THR A 70 -17.599 3.487 -6.886 1.00 12.00 C ATOM 1088 C THR A 70 -19.087 3.396 -6.569 1.00 12.00 C ATOM 1089 O THR A 70 -19.915 3.169 -7.435 1.00 12.00 O ATOM 1090 CB THR A 70 -17.350 4.756 -7.710 1.00 12.00 C ATOM 1091 OG1 THR A 70 -16.003 4.769 -8.160 1.00 12.00 O ATOM 1092 CG2 THR A 70 -17.613 5.989 -6.843 1.00 12.00 C ATOM 0 H THR A 70 -17.257 2.331 -8.664 1.00 12.00 H new ATOM 0 HA THR A 70 -17.057 3.515 -5.941 1.00 12.00 H new ATOM 0 HB THR A 70 -18.020 4.770 -8.569 1.00 12.00 H new ATOM 0 HG1 THR A 70 -15.842 5.579 -8.688 1.00 12.00 H new ATOM 0 HG21 THR A 70 -17.436 6.891 -7.429 1.00 12.00 H new ATOM 0 HG22 THR A 70 -18.647 5.978 -6.498 1.00 12.00 H new ATOM 0 HG23 THR A 70 -16.944 5.978 -5.983 1.00 12.00 H new ATOM 1100 N CYS A 71 -19.409 3.658 -5.322 1.00 12.00 N ATOM 1101 CA CYS A 71 -20.828 3.697 -4.871 1.00 12.00 C ATOM 1102 C CYS A 71 -21.000 5.103 -4.311 1.00 12.00 C ATOM 1103 O CYS A 71 -20.305 5.472 -3.388 1.00 12.00 O ATOM 1104 CB CYS A 71 -21.095 2.629 -3.798 1.00 12.00 C ATOM 1105 SG CYS A 71 -21.195 0.998 -4.591 1.00 12.00 S ATOM 0 H CYS A 71 -18.728 3.850 -4.587 1.00 12.00 H new ATOM 0 HA CYS A 71 -21.531 3.484 -5.676 1.00 12.00 H new ATOM 0 HB2 CYS A 71 -20.298 2.637 -3.054 1.00 12.00 H new ATOM 0 HB3 CYS A 71 -22.024 2.849 -3.272 1.00 12.00 H new ATOM 1110 N THR A 72 -21.853 5.913 -4.907 1.00 12.00 N ATOM 1111 CA THR A 72 -21.985 7.344 -4.451 1.00 12.00 C ATOM 1112 C THR A 72 -23.287 7.580 -3.684 1.00 12.00 C ATOM 1113 O THR A 72 -24.312 7.015 -4.005 1.00 12.00 O ATOM 1114 CB THR A 72 -21.948 8.260 -5.686 1.00 12.00 C ATOM 1115 OG1 THR A 72 -20.950 7.799 -6.587 1.00 12.00 O ATOM 1116 CG2 THR A 72 -21.623 9.698 -5.269 1.00 12.00 C ATOM 0 H THR A 72 -22.459 5.649 -5.683 1.00 12.00 H new ATOM 0 HA THR A 72 -21.158 7.567 -3.776 1.00 12.00 H new ATOM 0 HB THR A 72 -22.924 8.239 -6.170 1.00 12.00 H new ATOM 0 HG1 THR A 72 -20.927 8.381 -7.375 1.00 12.00 H new ATOM 0 HG21 THR A 72 -21.600 10.336 -6.152 1.00 12.00 H new ATOM 0 HG22 THR A 72 -22.387 10.059 -4.580 1.00 12.00 H new ATOM 0 HG23 THR A 72 -20.651 9.723 -4.777 1.00 12.00 H new ATOM 1124 N ARG A 73 -23.238 8.441 -2.681 1.00 12.00 N ATOM 1125 CA ARG A 73 -24.454 8.763 -1.870 1.00 12.00 C ATOM 1126 C ARG A 73 -25.455 9.532 -2.742 1.00 12.00 C ATOM 1127 O ARG A 73 -25.308 10.725 -2.954 1.00 12.00 O ATOM 1128 CB ARG A 73 -24.047 9.627 -0.667 1.00 12.00 C ATOM 1129 CG ARG A 73 -24.960 9.325 0.526 1.00 12.00 C ATOM 1130 CD ARG A 73 -25.013 10.540 1.455 1.00 12.00 C ATOM 1131 NE ARG A 73 -26.386 10.670 2.021 1.00 12.00 N ATOM 1132 CZ ARG A 73 -26.981 11.832 2.037 1.00 12.00 C ATOM 1133 NH1 ARG A 73 -26.496 12.803 2.762 1.00 12.00 N ATOM 1134 NH2 ARG A 73 -28.065 12.020 1.333 1.00 12.00 N ATOM 0 H ARG A 73 -22.394 8.936 -2.393 1.00 12.00 H new ATOM 0 HA ARG A 73 -24.915 7.842 -1.515 1.00 12.00 H new ATOM 0 HB2 ARG A 73 -23.009 9.429 -0.401 1.00 12.00 H new ATOM 0 HB3 ARG A 73 -24.113 10.683 -0.928 1.00 12.00 H new ATOM 0 HG2 ARG A 73 -25.962 9.079 0.176 1.00 12.00 H new ATOM 0 HG3 ARG A 73 -24.589 8.456 1.069 1.00 12.00 H new ATOM 0 HD2 ARG A 73 -24.285 10.429 2.259 1.00 12.00 H new ATOM 0 HD3 ARG A 73 -24.747 11.443 0.906 1.00 12.00 H new ATOM 0 HE ARG A 73 -26.862 9.849 2.397 1.00 12.00 H new ATOM 0 HH11 ARG A 73 -25.652 12.654 3.316 1.00 12.00 H new ATOM 0 HH12 ARG A 73 -26.960 13.711 2.775 1.00 12.00 H new ATOM 0 HH21 ARG A 73 -28.446 11.259 0.771 1.00 12.00 H new ATOM 0 HH22 ARG A 73 -28.530 12.928 1.345 1.00 12.00 H new ATOM 1148 N THR A 74 -26.463 8.850 -3.252 1.00 12.00 N ATOM 1149 CA THR A 74 -27.486 9.512 -4.123 1.00 12.00 C ATOM 1150 C THR A 74 -28.885 9.391 -3.465 1.00 12.00 C ATOM 1151 O THR A 74 -29.113 9.992 -2.427 1.00 12.00 O ATOM 1152 CB THR A 74 -27.447 8.865 -5.519 1.00 12.00 C ATOM 1153 OG1 THR A 74 -27.304 7.454 -5.390 1.00 12.00 O ATOM 1154 CG2 THR A 74 -26.263 9.426 -6.308 1.00 12.00 C ATOM 0 H THR A 74 -26.617 7.854 -3.097 1.00 12.00 H new ATOM 0 HA THR A 74 -27.267 10.574 -4.235 1.00 12.00 H new ATOM 0 HB THR A 74 -28.375 9.088 -6.045 1.00 12.00 H new ATOM 0 HG1 THR A 74 -27.982 7.005 -5.938 1.00 12.00 H new ATOM 0 HG21 THR A 74 -26.235 8.968 -7.297 1.00 12.00 H new ATOM 0 HG22 THR A 74 -26.373 10.506 -6.411 1.00 12.00 H new ATOM 0 HG23 THR A 74 -25.336 9.205 -5.779 1.00 12.00 H new ATOM 1258 N CYS A 81 -28.266 3.462 3.689 1.00 12.00 N ATOM 1259 CA CYS A 81 -28.057 4.833 3.123 1.00 12.00 C ATOM 1260 C CYS A 81 -28.304 4.776 1.597 1.00 12.00 C ATOM 1261 O CYS A 81 -28.192 3.708 1.018 1.00 12.00 O ATOM 1262 CB CYS A 81 -26.619 5.292 3.403 1.00 12.00 C ATOM 1263 SG CYS A 81 -26.609 6.449 4.800 1.00 12.00 S ATOM 0 HA CYS A 81 -28.747 5.540 3.584 1.00 12.00 H new ATOM 0 HB2 CYS A 81 -25.989 4.431 3.627 1.00 12.00 H new ATOM 0 HB3 CYS A 81 -26.201 5.772 2.518 1.00 12.00 H new ATOM 1268 N PRO A 82 -28.635 5.909 0.972 1.00 12.00 N ATOM 1269 CA PRO A 82 -28.896 5.945 -0.489 1.00 12.00 C ATOM 1270 C PRO A 82 -27.582 5.863 -1.269 1.00 12.00 C ATOM 1271 O PRO A 82 -26.756 6.748 -1.166 1.00 12.00 O ATOM 1272 CB PRO A 82 -29.562 7.304 -0.709 1.00 12.00 C ATOM 1273 CG PRO A 82 -29.137 8.194 0.480 1.00 12.00 C ATOM 1274 CD PRO A 82 -28.768 7.240 1.629 1.00 12.00 C ATOM 0 HA PRO A 82 -29.511 5.112 -0.829 1.00 12.00 H new ATOM 0 HB2 PRO A 82 -29.246 7.743 -1.655 1.00 12.00 H new ATOM 0 HB3 PRO A 82 -30.647 7.203 -0.751 1.00 12.00 H new ATOM 0 HG2 PRO A 82 -28.289 8.823 0.210 1.00 12.00 H new ATOM 0 HG3 PRO A 82 -29.947 8.861 0.774 1.00 12.00 H new ATOM 0 HD2 PRO A 82 -27.838 7.540 2.112 1.00 12.00 H new ATOM 0 HD3 PRO A 82 -29.539 7.228 2.400 1.00 12.00 H new ATOM 1282 N TYR A 83 -27.392 4.811 -2.047 1.00 12.00 N ATOM 1283 CA TYR A 83 -26.123 4.665 -2.846 1.00 12.00 C ATOM 1284 C TYR A 83 -26.375 3.976 -4.188 1.00 12.00 C ATOM 1285 O TYR A 83 -27.058 2.969 -4.265 1.00 12.00 O ATOM 1286 CB TYR A 83 -25.091 3.837 -2.068 1.00 12.00 C ATOM 1287 CG TYR A 83 -24.285 4.733 -1.164 1.00 12.00 C ATOM 1288 CD1 TYR A 83 -24.839 5.226 0.022 1.00 12.00 C ATOM 1289 CD2 TYR A 83 -22.974 5.070 -1.516 1.00 12.00 C ATOM 1290 CE1 TYR A 83 -24.080 6.057 0.854 1.00 12.00 C ATOM 1291 CE2 TYR A 83 -22.216 5.898 -0.686 1.00 12.00 C ATOM 1292 CZ TYR A 83 -22.768 6.395 0.499 1.00 12.00 C ATOM 1293 OH TYR A 83 -22.017 7.210 1.321 1.00 12.00 O ATOM 0 H TYR A 83 -28.061 4.050 -2.162 1.00 12.00 H new ATOM 0 HA TYR A 83 -25.746 5.672 -3.026 1.00 12.00 H new ATOM 0 HB2 TYR A 83 -25.596 3.072 -1.478 1.00 12.00 H new ATOM 0 HB3 TYR A 83 -24.430 3.319 -2.763 1.00 12.00 H new ATOM 0 HD1 TYR A 83 -25.851 4.966 0.295 1.00 12.00 H new ATOM 0 HD2 TYR A 83 -22.547 4.689 -2.432 1.00 12.00 H new ATOM 0 HE1 TYR A 83 -24.506 6.438 1.770 1.00 12.00 H new ATOM 0 HE2 TYR A 83 -21.203 6.155 -0.959 1.00 12.00 H new ATOM 0 HH TYR A 83 -22.465 8.076 1.421 1.00 12.00 H new ATOM 1303 N SER A 84 -25.762 4.497 -5.229 1.00 12.00 N ATOM 1304 CA SER A 84 -25.867 3.876 -6.602 1.00 12.00 C ATOM 1305 C SER A 84 -24.509 3.233 -6.899 1.00 12.00 C ATOM 1306 O SER A 84 -23.511 3.651 -6.346 1.00 12.00 O ATOM 1307 CB SER A 84 -26.176 4.945 -7.662 1.00 12.00 C ATOM 1308 OG SER A 84 -26.619 4.306 -8.851 1.00 12.00 O ATOM 0 H SER A 84 -25.185 5.337 -5.189 1.00 12.00 H new ATOM 0 HA SER A 84 -26.673 3.143 -6.629 1.00 12.00 H new ATOM 0 HB2 SER A 84 -26.942 5.628 -7.295 1.00 12.00 H new ATOM 0 HB3 SER A 84 -25.287 5.542 -7.865 1.00 12.00 H new ATOM 0 HG SER A 84 -26.820 4.983 -9.531 1.00 12.00 H new ATOM 1314 N SER A 85 -24.459 2.216 -7.738 1.00 12.00 N ATOM 1315 CA SER A 85 -23.144 1.542 -8.024 1.00 12.00 C ATOM 1316 C SER A 85 -22.638 1.875 -9.431 1.00 12.00 C ATOM 1317 O SER A 85 -23.406 2.210 -10.317 1.00 12.00 O ATOM 1318 CB SER A 85 -23.304 0.023 -7.898 1.00 12.00 C ATOM 1319 OG SER A 85 -22.036 -0.557 -7.623 1.00 12.00 O ATOM 0 H SER A 85 -25.263 1.828 -8.232 1.00 12.00 H new ATOM 0 HA SER A 85 -22.417 1.908 -7.299 1.00 12.00 H new ATOM 0 HB2 SER A 85 -24.008 -0.216 -7.101 1.00 12.00 H new ATOM 0 HB3 SER A 85 -23.714 -0.390 -8.820 1.00 12.00 H new ATOM 0 HG SER A 85 -21.686 -0.194 -6.783 1.00 12.00 H new ATOM 1325 N ARG A 86 -21.337 1.761 -9.625 1.00 12.00 N ATOM 1326 CA ARG A 86 -20.714 2.041 -10.959 1.00 12.00 C ATOM 1327 C ARG A 86 -19.279 1.498 -10.973 1.00 12.00 C ATOM 1328 O ARG A 86 -18.679 1.298 -9.930 1.00 12.00 O ATOM 1329 CB ARG A 86 -20.687 3.549 -11.220 1.00 12.00 C ATOM 1330 CG ARG A 86 -20.225 3.805 -12.658 1.00 12.00 C ATOM 1331 CD ARG A 86 -20.709 5.182 -13.123 1.00 12.00 C ATOM 1332 NE ARG A 86 -20.450 5.329 -14.583 1.00 12.00 N ATOM 1333 CZ ARG A 86 -21.073 4.563 -15.436 1.00 12.00 C ATOM 1334 NH1 ARG A 86 -22.372 4.447 -15.383 1.00 12.00 N ATOM 1335 NH2 ARG A 86 -20.396 3.911 -16.343 1.00 12.00 N ATOM 0 H ARG A 86 -20.675 1.481 -8.901 1.00 12.00 H new ATOM 0 HA ARG A 86 -21.302 1.554 -11.737 1.00 12.00 H new ATOM 0 HB2 ARG A 86 -21.678 3.975 -11.063 1.00 12.00 H new ATOM 0 HB3 ARG A 86 -20.014 4.040 -10.517 1.00 12.00 H new ATOM 0 HG2 ARG A 86 -19.138 3.754 -12.715 1.00 12.00 H new ATOM 0 HG3 ARG A 86 -20.615 3.030 -13.318 1.00 12.00 H new ATOM 0 HD2 ARG A 86 -21.774 5.294 -12.918 1.00 12.00 H new ATOM 0 HD3 ARG A 86 -20.193 5.967 -12.570 1.00 12.00 H new ATOM 0 HE ARG A 86 -19.786 6.028 -14.915 1.00 12.00 H new ATOM 0 HH11 ARG A 86 -22.901 4.955 -14.674 1.00 12.00 H new ATOM 0 HH12 ARG A 86 -22.858 3.848 -16.050 1.00 12.00 H new ATOM 0 HH21 ARG A 86 -19.381 4.001 -16.384 1.00 12.00 H new ATOM 0 HH22 ARG A 86 -20.883 3.312 -17.010 1.00 12.00 H new ATOM 1349 N THR A 87 -18.733 1.261 -12.150 1.00 12.00 N ATOM 1350 CA THR A 87 -17.330 0.729 -12.268 1.00 12.00 C ATOM 1351 C THR A 87 -16.588 1.513 -13.353 1.00 12.00 C ATOM 1352 O THR A 87 -17.194 1.949 -14.319 1.00 12.00 O ATOM 1353 CB THR A 87 -17.381 -0.754 -12.660 1.00 12.00 C ATOM 1354 OG1 THR A 87 -18.330 -0.933 -13.702 1.00 12.00 O ATOM 1355 CG2 THR A 87 -17.787 -1.597 -11.450 1.00 12.00 C ATOM 0 H THR A 87 -19.205 1.415 -13.041 1.00 12.00 H new ATOM 0 HA THR A 87 -16.813 0.837 -11.315 1.00 12.00 H new ATOM 0 HB THR A 87 -16.396 -1.070 -13.003 1.00 12.00 H new ATOM 0 HG1 THR A 87 -18.363 -1.879 -13.955 1.00 12.00 H new ATOM 0 HG21 THR A 87 -17.822 -2.649 -11.734 1.00 12.00 H new ATOM 0 HG22 THR A 87 -17.058 -1.461 -10.651 1.00 12.00 H new ATOM 0 HG23 THR A 87 -18.771 -1.283 -11.101 1.00 12.00 H new ATOM 1363 N GLU A 88 -15.287 1.697 -13.201 1.00 12.00 N ATOM 1364 CA GLU A 88 -14.508 2.459 -14.232 1.00 12.00 C ATOM 1365 C GLU A 88 -13.001 2.330 -13.979 1.00 12.00 C ATOM 1366 O GLU A 88 -12.562 1.598 -13.109 1.00 12.00 O ATOM 1367 CB GLU A 88 -14.910 3.942 -14.163 1.00 12.00 C ATOM 1368 CG GLU A 88 -15.516 4.384 -15.497 1.00 12.00 C ATOM 1369 CD GLU A 88 -15.560 5.911 -15.554 1.00 12.00 C ATOM 1370 OE1 GLU A 88 -14.580 6.498 -15.982 1.00 12.00 O ATOM 1371 OE2 GLU A 88 -16.574 6.469 -15.167 1.00 12.00 O ATOM 0 H GLU A 88 -14.740 1.353 -12.412 1.00 12.00 H new ATOM 0 HA GLU A 88 -14.730 2.050 -15.218 1.00 12.00 H new ATOM 0 HB2 GLU A 88 -15.630 4.095 -13.359 1.00 12.00 H new ATOM 0 HB3 GLU A 88 -14.038 4.553 -13.930 1.00 12.00 H new ATOM 0 HG2 GLU A 88 -14.923 3.995 -16.325 1.00 12.00 H new ATOM 0 HG3 GLU A 88 -16.521 3.976 -15.605 1.00 12.00 H new ATOM 1378 N THR A 89 -12.220 3.065 -14.746 1.00 12.00 N ATOM 1379 CA THR A 89 -10.731 3.052 -14.597 1.00 12.00 C ATOM 1380 C THR A 89 -10.382 3.667 -13.246 1.00 12.00 C ATOM 1381 O THR A 89 -11.039 4.601 -12.810 1.00 12.00 O ATOM 1382 CB THR A 89 -10.119 3.897 -15.730 1.00 12.00 C ATOM 1383 OG1 THR A 89 -10.516 3.354 -16.981 1.00 12.00 O ATOM 1384 CG2 THR A 89 -8.593 3.887 -15.637 1.00 12.00 C ATOM 0 H THR A 89 -12.564 3.683 -15.481 1.00 12.00 H new ATOM 0 HA THR A 89 -10.341 2.036 -14.651 1.00 12.00 H new ATOM 0 HB THR A 89 -10.471 4.924 -15.638 1.00 12.00 H new ATOM 0 HG1 THR A 89 -10.131 3.889 -17.707 1.00 12.00 H new ATOM 0 HG21 THR A 89 -8.175 4.488 -16.444 1.00 12.00 H new ATOM 0 HG22 THR A 89 -8.284 4.303 -14.678 1.00 12.00 H new ATOM 0 HG23 THR A 89 -8.230 2.863 -15.722 1.00 12.00 H new ATOM 1392 N ASN A 90 -9.371 3.146 -12.569 1.00 12.00 N ATOM 1393 CA ASN A 90 -9.011 3.714 -11.224 1.00 12.00 C ATOM 1394 C ASN A 90 -7.742 4.568 -11.295 1.00 12.00 C ATOM 1395 O ASN A 90 -6.641 4.114 -11.023 1.00 12.00 O ATOM 1396 CB ASN A 90 -8.836 2.596 -10.185 1.00 12.00 C ATOM 1397 CG ASN A 90 -8.812 3.187 -8.764 1.00 12.00 C ATOM 1398 OD1 ASN A 90 -8.094 2.702 -7.912 1.00 12.00 O ATOM 1399 ND2 ASN A 90 -9.567 4.211 -8.462 1.00 12.00 N ATOM 0 H ASN A 90 -8.793 2.368 -12.885 1.00 12.00 H new ATOM 0 HA ASN A 90 -9.835 4.356 -10.914 1.00 12.00 H new ATOM 0 HB2 ASN A 90 -9.650 1.877 -10.274 1.00 12.00 H new ATOM 0 HB3 ASN A 90 -7.910 2.054 -10.377 1.00 12.00 H new ATOM 0 HD21 ASN A 90 -9.550 4.596 -7.518 1.00 12.00 H new ATOM 0 HD22 ASN A 90 -10.173 4.625 -9.171 1.00 12.00 H new ATOM 1406 N TYR A 91 -7.919 5.829 -11.601 1.00 12.00 N ATOM 1407 CA TYR A 91 -6.773 6.786 -11.634 1.00 12.00 C ATOM 1408 C TYR A 91 -6.943 7.664 -10.404 1.00 12.00 C ATOM 1409 O TYR A 91 -7.847 8.484 -10.349 1.00 12.00 O ATOM 1410 CB TYR A 91 -6.783 7.640 -12.914 1.00 12.00 C ATOM 1411 CG TYR A 91 -8.184 8.090 -13.253 1.00 12.00 C ATOM 1412 CD1 TYR A 91 -9.032 7.245 -13.977 1.00 12.00 C ATOM 1413 CD2 TYR A 91 -8.629 9.357 -12.858 1.00 12.00 C ATOM 1414 CE1 TYR A 91 -10.326 7.664 -14.304 1.00 12.00 C ATOM 1415 CE2 TYR A 91 -9.925 9.778 -13.184 1.00 12.00 C ATOM 1416 CZ TYR A 91 -10.774 8.931 -13.909 1.00 12.00 C ATOM 1417 OH TYR A 91 -12.050 9.345 -14.232 1.00 12.00 O ATOM 0 H TYR A 91 -8.823 6.241 -11.833 1.00 12.00 H new ATOM 0 HA TYR A 91 -5.820 6.257 -11.633 1.00 12.00 H new ATOM 0 HB2 TYR A 91 -6.140 8.510 -12.780 1.00 12.00 H new ATOM 0 HB3 TYR A 91 -6.372 7.064 -13.743 1.00 12.00 H new ATOM 0 HD1 TYR A 91 -8.687 6.268 -14.284 1.00 12.00 H new ATOM 0 HD2 TYR A 91 -7.973 10.010 -12.302 1.00 12.00 H new ATOM 0 HE1 TYR A 91 -10.980 7.010 -14.861 1.00 12.00 H new ATOM 0 HE2 TYR A 91 -10.269 10.754 -12.877 1.00 12.00 H new ATOM 0 HH TYR A 91 -12.200 10.248 -13.881 1.00 12.00 H new ATOM 1427 N ILE A 92 -6.128 7.447 -9.392 1.00 12.00 N ATOM 1428 CA ILE A 92 -6.294 8.219 -8.117 1.00 12.00 C ATOM 1429 C ILE A 92 -4.956 8.684 -7.555 1.00 12.00 C ATOM 1430 O ILE A 92 -3.906 8.454 -8.130 1.00 12.00 O ATOM 1431 CB ILE A 92 -6.997 7.331 -7.084 1.00 12.00 C ATOM 1432 CG1 ILE A 92 -6.309 5.953 -7.038 1.00 12.00 C ATOM 1433 CG2 ILE A 92 -8.470 7.170 -7.485 1.00 12.00 C ATOM 1434 CD1 ILE A 92 -7.044 5.025 -6.066 1.00 12.00 C ATOM 0 H ILE A 92 -5.362 6.774 -9.396 1.00 12.00 H new ATOM 0 HA ILE A 92 -6.890 9.106 -8.333 1.00 12.00 H new ATOM 0 HB ILE A 92 -6.938 7.789 -6.097 1.00 12.00 H new ATOM 0 HG12 ILE A 92 -6.297 5.511 -8.034 1.00 12.00 H new ATOM 0 HG13 ILE A 92 -5.270 6.067 -6.727 1.00 12.00 H new ATOM 0 HG21 ILE A 92 -8.979 6.540 -6.756 1.00 12.00 H new ATOM 0 HG22 ILE A 92 -8.948 8.149 -7.514 1.00 12.00 H new ATOM 0 HG23 ILE A 92 -8.530 6.707 -8.470 1.00 12.00 H new ATOM 0 HD11 ILE A 92 -6.547 4.055 -6.043 1.00 12.00 H new ATOM 0 HD12 ILE A 92 -7.033 5.462 -5.067 1.00 12.00 H new ATOM 0 HD13 ILE A 92 -8.075 4.897 -6.395 1.00 12.00 H new ATOM 1446 N CYS A 93 -5.021 9.361 -6.430 1.00 12.00 N ATOM 1447 CA CYS A 93 -3.794 9.903 -5.770 1.00 12.00 C ATOM 1448 C CYS A 93 -3.605 9.263 -4.391 1.00 12.00 C ATOM 1449 O CYS A 93 -4.355 9.537 -3.467 1.00 12.00 O ATOM 1450 CB CYS A 93 -3.945 11.416 -5.613 1.00 12.00 C ATOM 1451 SG CYS A 93 -2.381 12.130 -5.052 1.00 12.00 S ATOM 0 H CYS A 93 -5.890 9.562 -5.935 1.00 12.00 H new ATOM 0 HA CYS A 93 -2.923 9.674 -6.384 1.00 12.00 H new ATOM 0 HB2 CYS A 93 -4.240 11.862 -6.563 1.00 12.00 H new ATOM 0 HB3 CYS A 93 -4.736 11.640 -4.897 1.00 12.00 H new ATOM 0 HG CYS A 93 -1.438 11.240 -5.148 1.00 12.00 H new ATOM 1456 N VAL A 94 -2.597 8.425 -4.257 1.00 12.00 N ATOM 1457 CA VAL A 94 -2.309 7.753 -2.949 1.00 12.00 C ATOM 1458 C VAL A 94 -1.077 8.413 -2.323 1.00 12.00 C ATOM 1459 O VAL A 94 -0.390 9.192 -2.968 1.00 12.00 O ATOM 1460 CB VAL A 94 -2.003 6.245 -3.126 1.00 12.00 C ATOM 1461 CG1 VAL A 94 -2.519 5.504 -1.894 1.00 12.00 C ATOM 1462 CG2 VAL A 94 -2.671 5.644 -4.379 1.00 12.00 C ATOM 0 H VAL A 94 -1.956 8.177 -5.010 1.00 12.00 H new ATOM 0 HA VAL A 94 -3.192 7.856 -2.318 1.00 12.00 H new ATOM 0 HB VAL A 94 -0.925 6.135 -3.246 1.00 12.00 H new ATOM 0 HG11 VAL A 94 -2.314 4.439 -1.998 1.00 12.00 H new ATOM 0 HG12 VAL A 94 -2.018 5.885 -1.004 1.00 12.00 H new ATOM 0 HG13 VAL A 94 -3.594 5.659 -1.800 1.00 12.00 H new ATOM 0 HG21 VAL A 94 -2.422 4.585 -4.452 1.00 12.00 H new ATOM 0 HG22 VAL A 94 -3.752 5.758 -4.305 1.00 12.00 H new ATOM 0 HG23 VAL A 94 -2.312 6.163 -5.267 1.00 12.00 H new ATOM 1472 N LYS A 95 -0.778 8.078 -1.083 1.00 12.00 N ATOM 1473 CA LYS A 95 0.430 8.647 -0.415 1.00 12.00 C ATOM 1474 C LYS A 95 1.249 7.489 0.184 1.00 12.00 C ATOM 1475 O LYS A 95 0.677 6.528 0.680 1.00 12.00 O ATOM 1476 CB LYS A 95 0.012 9.653 0.662 1.00 12.00 C ATOM 1477 CG LYS A 95 -0.224 11.016 0.003 1.00 12.00 C ATOM 1478 CD LYS A 95 -0.031 12.134 1.032 1.00 12.00 C ATOM 1479 CE LYS A 95 0.410 13.423 0.323 1.00 12.00 C ATOM 1480 NZ LYS A 95 -0.714 14.407 0.323 1.00 12.00 N ATOM 0 H LYS A 95 -1.323 7.434 -0.510 1.00 12.00 H new ATOM 0 HA LYS A 95 1.047 9.181 -1.138 1.00 12.00 H new ATOM 0 HB2 LYS A 95 -0.895 9.314 1.163 1.00 12.00 H new ATOM 0 HB3 LYS A 95 0.787 9.732 1.425 1.00 12.00 H new ATOM 0 HG2 LYS A 95 0.468 11.152 -0.828 1.00 12.00 H new ATOM 0 HG3 LYS A 95 -1.232 11.060 -0.410 1.00 12.00 H new ATOM 0 HD2 LYS A 95 -0.961 12.306 1.574 1.00 12.00 H new ATOM 0 HD3 LYS A 95 0.717 11.839 1.768 1.00 12.00 H new ATOM 0 HE2 LYS A 95 1.278 13.848 0.827 1.00 12.00 H new ATOM 0 HE3 LYS A 95 0.712 13.201 -0.701 1.00 12.00 H new ATOM 0 HZ1 LYS A 95 -0.412 15.279 -0.158 1.00 12.00 H new ATOM 0 HZ2 LYS A 95 -1.531 14.001 -0.177 1.00 12.00 H new ATOM 0 HZ3 LYS A 95 -0.982 14.627 1.303 1.00 12.00 H new ATOM 1494 N CYS A 96 2.573 7.542 0.103 1.00 12.00 N ATOM 1495 CA CYS A 96 3.410 6.394 0.610 1.00 12.00 C ATOM 1496 C CYS A 96 4.224 6.705 1.883 1.00 12.00 C ATOM 1497 O CYS A 96 5.109 7.538 1.894 1.00 12.00 O ATOM 1498 CB CYS A 96 4.403 5.957 -0.481 1.00 12.00 C ATOM 1499 SG CYS A 96 3.675 6.131 -2.134 1.00 12.00 S ATOM 0 H CYS A 96 3.100 8.323 -0.288 1.00 12.00 H new ATOM 0 HA CYS A 96 2.696 5.610 0.864 1.00 12.00 H new ATOM 0 HB2 CYS A 96 5.309 6.559 -0.414 1.00 12.00 H new ATOM 0 HB3 CYS A 96 4.696 4.920 -0.316 1.00 12.00 H new ATOM 1504 N GLU A 97 3.980 5.926 2.912 1.00 12.00 N ATOM 1505 CA GLU A 97 4.759 5.995 4.198 1.00 12.00 C ATOM 1506 C GLU A 97 5.010 4.523 4.554 1.00 12.00 C ATOM 1507 O GLU A 97 4.162 3.688 4.285 1.00 12.00 O ATOM 1508 CB GLU A 97 3.971 6.705 5.306 1.00 12.00 C ATOM 1509 CG GLU A 97 4.696 6.552 6.651 1.00 12.00 C ATOM 1510 CD GLU A 97 4.178 7.601 7.632 1.00 12.00 C ATOM 1511 OE1 GLU A 97 4.458 8.769 7.424 1.00 12.00 O ATOM 1512 OE2 GLU A 97 3.508 7.218 8.578 1.00 12.00 O ATOM 0 H GLU A 97 3.246 5.218 2.915 1.00 12.00 H new ATOM 0 HA GLU A 97 5.679 6.570 4.092 1.00 12.00 H new ATOM 0 HB2 GLU A 97 3.859 7.762 5.063 1.00 12.00 H new ATOM 0 HB3 GLU A 97 2.967 6.285 5.375 1.00 12.00 H new ATOM 0 HG2 GLU A 97 4.533 5.552 7.052 1.00 12.00 H new ATOM 0 HG3 GLU A 97 5.771 6.668 6.512 1.00 12.00 H new ATOM 1519 N ASN A 98 6.161 4.170 5.091 1.00 12.00 N ATOM 1520 CA ASN A 98 6.445 2.705 5.356 1.00 12.00 C ATOM 1521 C ASN A 98 6.280 1.952 4.004 1.00 12.00 C ATOM 1522 O ASN A 98 5.880 0.806 3.945 1.00 12.00 O ATOM 1523 CB ASN A 98 5.453 2.154 6.389 1.00 12.00 C ATOM 1524 CG ASN A 98 5.376 3.105 7.586 1.00 12.00 C ATOM 1525 OD1 ASN A 98 4.304 3.393 8.081 1.00 12.00 O ATOM 1526 ND2 ASN A 98 6.476 3.609 8.075 1.00 12.00 N ATOM 0 H ASN A 98 6.906 4.815 5.355 1.00 12.00 H new ATOM 0 HA ASN A 98 7.452 2.573 5.753 1.00 12.00 H new ATOM 0 HB2 ASN A 98 4.467 2.041 5.937 1.00 12.00 H new ATOM 0 HB3 ASN A 98 5.768 1.164 6.718 1.00 12.00 H new ATOM 0 HD21 ASN A 98 6.436 4.244 8.872 1.00 12.00 H new ATOM 0 HD22 ASN A 98 7.376 3.368 7.660 1.00 12.00 H new ATOM 1533 N GLN A 99 6.580 2.656 2.922 1.00 12.00 N ATOM 1534 CA GLN A 99 6.478 2.142 1.510 1.00 12.00 C ATOM 1535 C GLN A 99 5.154 1.429 1.192 1.00 12.00 C ATOM 1536 O GLN A 99 5.048 0.750 0.182 1.00 12.00 O ATOM 1537 CB GLN A 99 7.668 1.242 1.165 1.00 12.00 C ATOM 1538 CG GLN A 99 7.761 0.079 2.152 1.00 12.00 C ATOM 1539 CD GLN A 99 8.801 -0.924 1.657 1.00 12.00 C ATOM 1540 OE1 GLN A 99 8.538 -1.699 0.761 1.00 12.00 O ATOM 1541 NE2 GLN A 99 9.983 -0.940 2.210 1.00 12.00 N ATOM 0 H GLN A 99 6.909 3.620 2.972 1.00 12.00 H new ATOM 0 HA GLN A 99 6.499 3.030 0.878 1.00 12.00 H new ATOM 0 HB2 GLN A 99 7.560 0.858 0.151 1.00 12.00 H new ATOM 0 HB3 GLN A 99 8.590 1.823 1.190 1.00 12.00 H new ATOM 0 HG2 GLN A 99 8.036 0.447 3.140 1.00 12.00 H new ATOM 0 HG3 GLN A 99 6.790 -0.406 2.252 1.00 12.00 H new ATOM 0 HE21 GLN A 99 10.203 -0.288 2.963 1.00 12.00 H new ATOM 0 HE22 GLN A 99 10.687 -1.605 1.889 1.00 12.00 H new ATOM 1550 N TYR A 100 4.136 1.659 1.977 1.00 12.00 N ATOM 1551 CA TYR A 100 2.777 1.101 1.692 1.00 12.00 C ATOM 1552 C TYR A 100 1.842 2.322 1.726 1.00 12.00 C ATOM 1553 O TYR A 100 2.084 3.224 2.511 1.00 12.00 O ATOM 1554 CB TYR A 100 2.398 -0.014 2.734 1.00 12.00 C ATOM 1555 CG TYR A 100 1.259 0.378 3.687 1.00 12.00 C ATOM 1556 CD1 TYR A 100 -0.050 0.587 3.205 1.00 12.00 C ATOM 1557 CD2 TYR A 100 1.520 0.540 5.052 1.00 12.00 C ATOM 1558 CE1 TYR A 100 -1.076 0.957 4.080 1.00 12.00 C ATOM 1559 CE2 TYR A 100 0.491 0.914 5.925 1.00 12.00 C ATOM 1560 CZ TYR A 100 -0.805 1.125 5.438 1.00 12.00 C ATOM 1561 OH TYR A 100 -1.813 1.502 6.298 1.00 12.00 O ATOM 0 H TYR A 100 4.189 2.224 2.825 1.00 12.00 H new ATOM 0 HA TYR A 100 2.712 0.597 0.728 1.00 12.00 H new ATOM 0 HB2 TYR A 100 2.112 -0.917 2.195 1.00 12.00 H new ATOM 0 HB3 TYR A 100 3.281 -0.261 3.323 1.00 12.00 H new ATOM 0 HD1 TYR A 100 -0.261 0.460 2.153 1.00 12.00 H new ATOM 0 HD2 TYR A 100 2.517 0.376 5.433 1.00 12.00 H new ATOM 0 HE1 TYR A 100 -2.077 1.112 3.705 1.00 12.00 H new ATOM 0 HE2 TYR A 100 0.698 1.040 6.978 1.00 12.00 H new ATOM 0 HH TYR A 100 -2.526 0.829 6.282 1.00 12.00 H new ATOM 1571 N PRO A 101 0.809 2.340 0.898 1.00 12.00 N ATOM 1572 CA PRO A 101 -0.130 3.480 0.874 1.00 12.00 C ATOM 1573 C PRO A 101 -0.767 3.626 2.256 1.00 12.00 C ATOM 1574 O PRO A 101 -1.770 3.024 2.553 1.00 12.00 O ATOM 1575 CB PRO A 101 -1.121 3.117 -0.241 1.00 12.00 C ATOM 1576 CG PRO A 101 -0.993 1.591 -0.445 1.00 12.00 C ATOM 1577 CD PRO A 101 0.450 1.246 -0.042 1.00 12.00 C ATOM 0 HA PRO A 101 0.323 4.450 0.668 1.00 12.00 H new ATOM 0 HB2 PRO A 101 -2.139 3.389 0.038 1.00 12.00 H new ATOM 0 HB3 PRO A 101 -0.888 3.654 -1.160 1.00 12.00 H new ATOM 0 HG2 PRO A 101 -1.713 1.051 0.170 1.00 12.00 H new ATOM 0 HG3 PRO A 101 -1.188 1.315 -1.481 1.00 12.00 H new ATOM 0 HD2 PRO A 101 0.512 0.268 0.435 1.00 12.00 H new ATOM 0 HD3 PRO A 101 1.115 1.222 -0.905 1.00 12.00 H new ATOM 1585 N VAL A 102 -0.135 4.413 3.103 1.00 12.00 N ATOM 1586 CA VAL A 102 -0.615 4.612 4.512 1.00 12.00 C ATOM 1587 C VAL A 102 -1.633 5.749 4.577 1.00 12.00 C ATOM 1588 O VAL A 102 -2.377 5.853 5.541 1.00 12.00 O ATOM 1589 CB VAL A 102 0.602 4.966 5.397 1.00 12.00 C ATOM 1590 CG1 VAL A 102 0.159 5.481 6.778 1.00 12.00 C ATOM 1591 CG2 VAL A 102 1.465 3.725 5.599 1.00 12.00 C ATOM 0 H VAL A 102 0.710 4.935 2.870 1.00 12.00 H new ATOM 0 HA VAL A 102 -1.094 3.698 4.863 1.00 12.00 H new ATOM 0 HB VAL A 102 1.166 5.750 4.891 1.00 12.00 H new ATOM 0 HG11 VAL A 102 1.038 5.721 7.376 1.00 12.00 H new ATOM 0 HG12 VAL A 102 -0.451 6.376 6.654 1.00 12.00 H new ATOM 0 HG13 VAL A 102 -0.424 4.711 7.283 1.00 12.00 H new ATOM 0 HG21 VAL A 102 2.323 3.976 6.223 1.00 12.00 H new ATOM 0 HG22 VAL A 102 0.876 2.948 6.087 1.00 12.00 H new ATOM 0 HG23 VAL A 102 1.814 3.363 4.632 1.00 12.00 H new ATOM 1601 N HIS A 103 -1.635 6.614 3.601 1.00 12.00 N ATOM 1602 CA HIS A 103 -2.562 7.777 3.627 1.00 12.00 C ATOM 1603 C HIS A 103 -3.143 7.956 2.238 1.00 12.00 C ATOM 1604 O HIS A 103 -2.451 7.737 1.262 1.00 12.00 O ATOM 1605 CB HIS A 103 -1.796 9.068 4.049 1.00 12.00 C ATOM 1606 CG HIS A 103 -0.307 8.805 4.242 1.00 12.00 C ATOM 1607 ND1 HIS A 103 0.353 9.080 5.433 1.00 12.00 N ATOM 1608 CD2 HIS A 103 0.649 8.274 3.407 1.00 12.00 C ATOM 1609 CE1 HIS A 103 1.641 8.712 5.274 1.00 12.00 C ATOM 1610 NE2 HIS A 103 1.868 8.221 4.060 1.00 12.00 N ATOM 0 H HIS A 103 -1.030 6.564 2.782 1.00 12.00 H new ATOM 0 HA HIS A 103 -3.359 7.598 4.349 1.00 12.00 H new ATOM 0 HB2 HIS A 103 -1.934 9.837 3.289 1.00 12.00 H new ATOM 0 HB3 HIS A 103 -2.220 9.456 4.975 1.00 12.00 H new ATOM 0 HD1 HIS A 103 -0.060 9.485 6.273 1.00 12.00 H new ATOM 0 HD2 HIS A 103 0.474 7.947 2.393 1.00 12.00 H new ATOM 0 HE1 HIS A 103 2.396 8.805 6.040 1.00 12.00 H new ATOM 1618 N PHE A 104 -4.399 8.353 2.132 1.00 12.00 N ATOM 1619 CA PHE A 104 -4.984 8.547 0.764 1.00 12.00 C ATOM 1620 C PHE A 104 -5.158 10.043 0.489 1.00 12.00 C ATOM 1621 O PHE A 104 -5.760 10.754 1.272 1.00 12.00 O ATOM 1622 CB PHE A 104 -6.346 7.822 0.589 1.00 12.00 C ATOM 1623 CG PHE A 104 -6.309 6.941 -0.655 1.00 12.00 C ATOM 1624 CD1 PHE A 104 -5.547 7.323 -1.774 1.00 12.00 C ATOM 1625 CD2 PHE A 104 -7.016 5.732 -0.683 1.00 12.00 C ATOM 1626 CE1 PHE A 104 -5.485 6.518 -2.899 1.00 12.00 C ATOM 1627 CE2 PHE A 104 -6.957 4.915 -1.821 1.00 12.00 C ATOM 1628 CZ PHE A 104 -6.187 5.307 -2.927 1.00 12.00 C ATOM 0 H PHE A 104 -5.026 8.545 2.913 1.00 12.00 H new ATOM 0 HA PHE A 104 -4.290 8.107 0.048 1.00 12.00 H new ATOM 0 HB2 PHE A 104 -6.560 7.215 1.469 1.00 12.00 H new ATOM 0 HB3 PHE A 104 -7.149 8.554 0.503 1.00 12.00 H new ATOM 0 HD1 PHE A 104 -5.003 8.256 -1.755 1.00 12.00 H new ATOM 0 HD2 PHE A 104 -7.605 5.430 0.170 1.00 12.00 H new ATOM 0 HE1 PHE A 104 -4.897 6.823 -3.752 1.00 12.00 H new ATOM 0 HE2 PHE A 104 -7.504 3.984 -1.846 1.00 12.00 H new ATOM 0 HZ PHE A 104 -6.136 4.674 -3.800 1.00 12.00 H new ATOM 1638 N ALA A 105 -4.622 10.512 -0.622 1.00 12.00 N ATOM 1639 CA ALA A 105 -4.732 11.962 -0.983 1.00 12.00 C ATOM 1640 C ALA A 105 -6.129 12.259 -1.540 1.00 12.00 C ATOM 1641 O ALA A 105 -6.661 13.337 -1.326 1.00 12.00 O ATOM 1642 CB ALA A 105 -3.674 12.318 -2.034 1.00 12.00 C ATOM 0 H ALA A 105 -4.110 9.943 -1.296 1.00 12.00 H new ATOM 0 HA ALA A 105 -4.568 12.562 -0.088 1.00 12.00 H new ATOM 0 HB1 ALA A 105 -3.759 13.373 -2.293 1.00 12.00 H new ATOM 0 HB2 ALA A 105 -2.680 12.122 -1.631 1.00 12.00 H new ATOM 0 HB3 ALA A 105 -3.830 11.712 -2.927 1.00 12.00 H new ATOM 1648 N GLY A 106 -6.728 11.312 -2.245 1.00 12.00 N ATOM 1649 CA GLY A 106 -8.100 11.533 -2.814 1.00 12.00 C ATOM 1650 C GLY A 106 -8.168 11.056 -4.272 1.00 12.00 C ATOM 1651 O GLY A 106 -7.731 9.965 -4.599 1.00 12.00 O ATOM 0 H GLY A 106 -6.321 10.399 -2.447 1.00 12.00 H new ATOM 0 HA2 GLY A 106 -8.837 10.997 -2.216 1.00 12.00 H new ATOM 0 HA3 GLY A 106 -8.355 12.591 -2.760 1.00 12.00 H new ATOM 1655 N ILE A 107 -8.741 11.873 -5.133 1.00 12.00 N ATOM 1656 CA ILE A 107 -8.893 11.507 -6.578 1.00 12.00 C ATOM 1657 C ILE A 107 -7.533 11.494 -7.288 1.00 12.00 C ATOM 1658 O ILE A 107 -6.493 11.616 -6.662 1.00 12.00 O ATOM 1659 CB ILE A 107 -9.823 12.516 -7.256 1.00 12.00 C ATOM 1660 CG1 ILE A 107 -9.289 13.935 -7.047 1.00 12.00 C ATOM 1661 CG2 ILE A 107 -11.219 12.404 -6.642 1.00 12.00 C ATOM 1662 CD1 ILE A 107 -9.900 14.865 -8.097 1.00 12.00 C ATOM 0 H ILE A 107 -9.114 12.790 -4.888 1.00 12.00 H new ATOM 0 HA ILE A 107 -9.318 10.506 -6.644 1.00 12.00 H new ATOM 0 HB ILE A 107 -9.870 12.304 -8.324 1.00 12.00 H new ATOM 0 HG12 ILE A 107 -9.538 14.286 -6.045 1.00 12.00 H new ATOM 0 HG13 ILE A 107 -8.202 13.942 -7.127 1.00 12.00 H new ATOM 0 HG21 ILE A 107 -11.886 13.121 -7.121 1.00 12.00 H new ATOM 0 HG22 ILE A 107 -11.603 11.395 -6.792 1.00 12.00 H new ATOM 0 HG23 ILE A 107 -11.165 12.617 -5.574 1.00 12.00 H new ATOM 0 HD11 ILE A 107 -9.522 15.877 -7.951 1.00 12.00 H new ATOM 0 HD12 ILE A 107 -9.629 14.516 -9.094 1.00 12.00 H new ATOM 0 HD13 ILE A 107 -10.985 14.865 -7.995 1.00 12.00 H new ATOM 1674 N GLY A 108 -7.558 11.327 -8.595 1.00 12.00 N ATOM 1675 CA GLY A 108 -6.303 11.275 -9.410 1.00 12.00 C ATOM 1676 C GLY A 108 -5.606 12.640 -9.433 1.00 12.00 C ATOM 1677 O GLY A 108 -4.405 12.727 -9.233 1.00 12.00 O ATOM 0 H GLY A 108 -8.415 11.223 -9.138 1.00 12.00 H new ATOM 0 HA2 GLY A 108 -5.628 10.525 -8.998 1.00 12.00 H new ATOM 0 HA3 GLY A 108 -6.539 10.966 -10.428 1.00 12.00 H new