USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 883 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 7 ASN : amide:sc= -4.24! C(o=-3.2!,f=-9.9!) USER MOD Set 1.2: A 113 THR OG1 : rot -33:sc= 1.08 USER MOD Set 2.1: A 61 LYS NZ :NH3+ 149:sc= 2.53 (180deg=0.0266) USER MOD Set 2.2: A 73 CYS SG : rot -170:sc= 0.238 USER MOD Set 3.1: A 8 GLN :FLIP amide:sc= -0.664 F(o=-3.1!,f=-0.73) USER MOD Set 3.2: A 9 GLN :FLIP amide:sc= -0.0702 X(o=-0.77,f=-0.73) USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0701 (180deg=-0.389) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.257 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.844 K(o=0.84,f=-0.72) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0131 USER MOD Single : A 10 LYS NZ :NH3+ 167:sc= 0.173 (180deg=0.00631) USER MOD Single : A 15 SER OG : rot 180:sc= -0.215 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00969 X(o=-0.0097,f=0) USER MOD Single : A 34 MET CE :methyl -166:sc= -2.07 (180deg=-3.06) USER MOD Single : A 36 SER OG : rot 57:sc= 1.24 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -140:sc= -3.28! USER MOD Single : A 45 GLN : amide:sc= -0.0186 K(o=-0.019,f=-0.84) USER MOD Single : A 47 SER OG : rot -41:sc= -2.46! USER MOD Single : A 49 GLN :FLIP amide:sc= -0.244 F(o=-0.93,f=-0.24) USER MOD Single : A 52 TYR OH : rot 15:sc= 1.02 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 98:sc= 0.916 USER MOD Single : A 58 HIS : no HD1:sc= 0.0115 X(o=0.011,f=-0.097) USER MOD Single : A 62 SER OG : rot 104:sc= 1.25 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -96:sc= 0.301 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 174:sc= 1.15 (180deg=1.04) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.0767 F(o=-1.4,f=-0.077) USER MOD Single : A 87 GLN :FLIP amide:sc= -0.124 F(o=-4!,f=-0.12) USER MOD Single : A 89 GLN : amide:sc= -6.11! C(o=-6.1!,f=-9.3!) USER MOD Single : A 91 GLN : amide:sc=-0.00912 X(o=-0.0091,f=-0.0037) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 96 SER OG : rot 180:sc= -0.213 USER MOD Single : A 98 MET CE :methyl -133:sc= -3.74! (180deg=-13.5!) USER MOD Single : A 103 HIS : no HD1:sc= -1.96 K(o=-2,f=-3.3!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= -0.209 USER MOD Single : A 111 SER OG : rot 93:sc= 0.0557 USER MOD Single : A 114 ASN : amide:sc= 0.0429 X(o=0.043,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.131 2.666 9.634 1.00 0.00 N ATOM 2 CA MET A 1 1.691 2.995 9.621 1.00 0.00 C ATOM 3 C MET A 1 1.465 3.949 8.446 1.00 0.00 C ATOM 4 O MET A 1 2.408 4.223 7.707 1.00 0.00 O ATOM 5 CB MET A 1 1.306 3.636 10.980 1.00 0.00 C ATOM 6 CG MET A 1 -0.174 3.933 11.209 1.00 0.00 C ATOM 7 SD MET A 1 -1.230 2.480 11.097 1.00 0.00 S ATOM 8 CE MET A 1 -0.552 1.449 12.402 1.00 0.00 C ATOM 0 H1 MET A 1 3.258 1.657 9.418 1.00 0.00 H new ATOM 0 H2 MET A 1 3.624 3.238 8.919 1.00 0.00 H new ATOM 0 H3 MET A 1 3.526 2.871 10.574 1.00 0.00 H new ATOM 0 HA MET A 1 1.064 2.113 9.494 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.646 2.974 11.776 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.859 4.569 11.084 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.297 4.385 12.193 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.505 4.669 10.477 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.253 0.646 12.633 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.395 1.021 12.073 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.386 2.053 13.294 1.00 0.00 H new ATOM 18 N ASN A 2 0.241 4.427 8.240 1.00 0.00 N ATOM 19 CA ASN A 2 -0.017 5.360 7.161 1.00 0.00 C ATOM 20 C ASN A 2 0.137 6.753 7.715 1.00 0.00 C ATOM 21 O ASN A 2 1.223 7.310 7.619 1.00 0.00 O ATOM 22 CB ASN A 2 -1.410 5.174 6.529 1.00 0.00 C ATOM 23 CG ASN A 2 -1.635 3.789 5.971 1.00 0.00 C ATOM 24 OD1 ASN A 2 -0.705 3.097 5.604 1.00 0.00 O ATOM 25 ND2 ASN A 2 -2.881 3.392 5.859 1.00 0.00 N ATOM 0 H ASN A 2 -0.575 4.184 8.801 1.00 0.00 H new ATOM 0 HA ASN A 2 0.697 5.177 6.358 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.172 5.384 7.279 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.539 5.905 5.731 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.091 2.479 5.455 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.639 3.996 6.176 1.00 0.00 H new ATOM 32 N THR A 3 -0.981 7.290 8.260 1.00 0.00 N ATOM 33 CA THR A 3 -1.062 8.514 9.068 1.00 0.00 C ATOM 34 C THR A 3 -2.372 9.304 8.805 1.00 0.00 C ATOM 35 O THR A 3 -3.092 9.083 7.805 1.00 0.00 O ATOM 36 CB THR A 3 0.198 9.439 9.046 1.00 0.00 C ATOM 37 OG1 THR A 3 0.152 10.357 10.146 1.00 0.00 O ATOM 38 CG2 THR A 3 0.305 10.225 7.752 1.00 0.00 C ATOM 0 H THR A 3 -1.894 6.852 8.137 1.00 0.00 H new ATOM 0 HA THR A 3 -1.086 8.141 10.092 1.00 0.00 H new ATOM 0 HB THR A 3 1.073 8.794 9.127 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.946 10.932 10.126 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.195 10.854 7.781 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.376 9.534 6.912 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.579 10.852 7.633 1.00 0.00 H new ATOM 46 N ASP A 4 -2.689 10.159 9.751 1.00 0.00 N ATOM 47 CA ASP A 4 -3.888 11.003 9.782 1.00 0.00 C ATOM 48 C ASP A 4 -3.767 12.173 8.817 1.00 0.00 C ATOM 49 O ASP A 4 -3.356 13.257 9.212 1.00 0.00 O ATOM 50 CB ASP A 4 -4.122 11.606 11.180 1.00 0.00 C ATOM 51 CG ASP A 4 -3.943 10.644 12.319 1.00 0.00 C ATOM 52 OD1 ASP A 4 -2.792 10.497 12.795 1.00 0.00 O ATOM 53 OD2 ASP A 4 -4.925 10.045 12.786 1.00 0.00 O ATOM 0 H ASP A 4 -2.094 10.300 10.567 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.717 10.353 9.502 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.437 12.443 11.319 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.133 12.011 11.221 1.00 0.00 H new ATOM 58 N VAL A 5 -4.049 11.941 7.542 1.00 0.00 N ATOM 59 CA VAL A 5 -4.026 12.974 6.516 1.00 0.00 C ATOM 60 C VAL A 5 -4.441 12.358 5.210 1.00 0.00 C ATOM 61 O VAL A 5 -5.481 12.658 4.672 1.00 0.00 O ATOM 62 CB VAL A 5 -2.681 13.767 6.375 1.00 0.00 C ATOM 63 CG1 VAL A 5 -1.471 12.882 6.105 1.00 0.00 C ATOM 64 CG2 VAL A 5 -2.811 14.843 5.309 1.00 0.00 C ATOM 0 H VAL A 5 -4.303 11.019 7.187 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.733 13.740 6.834 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.498 14.233 7.343 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.579 13.502 6.020 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.346 12.176 6.926 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.622 12.333 5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.869 15.385 5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.052 14.380 4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.605 15.536 5.587 1.00 0.00 H new ATOM 74 N LEU A 6 -3.706 11.389 4.792 1.00 0.00 N ATOM 75 CA LEU A 6 -3.968 10.771 3.542 1.00 0.00 C ATOM 76 C LEU A 6 -5.049 9.749 3.682 1.00 0.00 C ATOM 77 O LEU A 6 -5.941 9.684 2.870 1.00 0.00 O ATOM 78 CB LEU A 6 -2.692 10.168 2.946 1.00 0.00 C ATOM 79 CG LEU A 6 -2.093 8.878 3.547 1.00 0.00 C ATOM 80 CD1 LEU A 6 -0.829 8.558 2.806 1.00 0.00 C ATOM 81 CD2 LEU A 6 -1.777 8.974 5.037 1.00 0.00 C ATOM 0 H LEU A 6 -2.911 11.005 5.303 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.317 11.534 2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.887 9.974 1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.919 10.936 2.991 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.847 8.098 3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.388 7.649 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.054 8.409 1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.125 9.383 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.360 8.028 5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.054 9.772 5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.691 9.191 5.590 1.00 0.00 H new ATOM 93 N ASN A 7 -4.999 8.976 4.734 1.00 0.00 N ATOM 94 CA ASN A 7 -5.931 7.922 4.860 1.00 0.00 C ATOM 95 C ASN A 7 -7.228 8.368 5.460 1.00 0.00 C ATOM 96 O ASN A 7 -8.249 8.053 4.966 1.00 0.00 O ATOM 97 CB ASN A 7 -5.331 6.764 5.598 1.00 0.00 C ATOM 98 CG ASN A 7 -5.850 5.472 4.998 1.00 0.00 C ATOM 99 OD1 ASN A 7 -6.886 4.944 5.399 1.00 0.00 O ATOM 100 ND2 ASN A 7 -5.141 4.953 4.018 1.00 0.00 N ATOM 0 H ASN A 7 -4.329 9.065 5.498 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.174 7.582 3.853 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.244 6.799 5.533 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.589 6.818 6.656 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.447 4.090 3.569 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.286 5.414 3.707 1.00 0.00 H new ATOM 107 N GLN A 8 -7.212 9.197 6.451 1.00 0.00 N ATOM 108 CA GLN A 8 -8.490 9.617 6.963 1.00 0.00 C ATOM 109 C GLN A 8 -9.057 10.786 6.178 1.00 0.00 C ATOM 110 O GLN A 8 -10.246 10.862 5.954 1.00 0.00 O ATOM 111 CB GLN A 8 -8.582 9.694 8.509 1.00 0.00 C ATOM 112 CG GLN A 8 -7.512 10.483 9.248 1.00 0.00 C ATOM 113 CD GLN A 8 -7.593 11.975 9.029 1.00 0.00 C ATOM 114 OE1 GLN A 8 -6.864 12.462 8.062 1.00 0.00 O flip ATOM 115 NE2 GLN A 8 -8.273 12.693 9.750 1.00 0.00 N flip ATOM 0 H GLN A 8 -6.385 9.583 6.906 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.191 8.804 6.772 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.551 10.123 8.765 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.573 8.675 8.896 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.594 10.277 10.315 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.530 10.132 8.930 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.832 12.282 10.498 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.281 13.702 9.603 1.00 0.00 H new ATOM 124 N GLN A 9 -8.189 11.576 5.571 1.00 0.00 N ATOM 125 CA GLN A 9 -8.723 12.692 4.841 1.00 0.00 C ATOM 126 C GLN A 9 -8.873 12.398 3.375 1.00 0.00 C ATOM 127 O GLN A 9 -9.977 12.461 2.839 1.00 0.00 O ATOM 128 CB GLN A 9 -8.037 14.026 5.117 1.00 0.00 C ATOM 129 CG GLN A 9 -8.430 14.659 6.437 1.00 0.00 C ATOM 130 CD GLN A 9 -7.505 15.780 6.833 1.00 0.00 C ATOM 131 OE1 GLN A 9 -7.809 16.979 6.403 1.00 0.00 O flip ATOM 132 NE2 GLN A 9 -6.502 15.551 7.521 1.00 0.00 N flip ATOM 0 H GLN A 9 -7.174 11.472 5.569 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.728 12.828 5.240 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -6.957 13.877 5.104 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.273 14.718 4.309 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.449 15.040 6.365 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.429 13.898 7.217 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.304 14.601 7.834 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.873 16.313 7.775 1.00 0.00 H new ATOM 141 N LYS A 10 -7.797 11.983 2.750 1.00 0.00 N ATOM 142 CA LYS A 10 -7.834 11.738 1.328 1.00 0.00 C ATOM 143 C LYS A 10 -8.479 10.445 0.942 1.00 0.00 C ATOM 144 O LYS A 10 -8.832 10.250 -0.215 1.00 0.00 O ATOM 145 CB LYS A 10 -6.511 11.911 0.659 1.00 0.00 C ATOM 146 CG LYS A 10 -6.122 13.357 0.633 1.00 0.00 C ATOM 147 CD LYS A 10 -5.438 13.727 -0.653 1.00 0.00 C ATOM 148 CE LYS A 10 -4.147 12.974 -0.863 1.00 0.00 C ATOM 149 NZ LYS A 10 -3.377 13.553 -1.997 1.00 0.00 N ATOM 0 H LYS A 10 -6.896 11.810 3.196 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.487 12.524 0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.752 11.333 1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.558 11.522 -0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.010 13.975 0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.459 13.570 1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.110 13.528 -1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.234 14.798 -0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.547 13.011 0.046 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.361 11.924 -1.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.408 13.174 -1.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.839 13.302 -2.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.345 14.588 -1.902 1.00 0.00 H new ATOM 163 N ILE A 11 -8.706 9.588 1.896 1.00 0.00 N ATOM 164 CA ILE A 11 -9.422 8.418 1.573 1.00 0.00 C ATOM 165 C ILE A 11 -10.861 8.693 1.718 1.00 0.00 C ATOM 166 O ILE A 11 -11.602 8.361 0.858 1.00 0.00 O ATOM 167 CB ILE A 11 -8.962 7.195 2.371 1.00 0.00 C ATOM 168 CG1 ILE A 11 -8.447 6.149 1.469 1.00 0.00 C ATOM 169 CG2 ILE A 11 -10.052 6.596 3.271 1.00 0.00 C ATOM 170 CD1 ILE A 11 -7.967 4.903 2.173 1.00 0.00 C ATOM 0 H ILE A 11 -8.412 9.683 2.868 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.216 8.151 0.536 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.169 7.556 3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.232 5.875 0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.625 6.562 0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.651 5.734 3.804 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.382 7.345 3.990 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.898 6.283 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.605 4.186 1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.158 5.160 2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.791 4.462 2.734 1.00 0.00 H new ATOM 182 N GLU A 12 -11.226 9.430 2.730 1.00 0.00 N ATOM 183 CA GLU A 12 -12.604 9.733 2.965 1.00 0.00 C ATOM 184 C GLU A 12 -13.233 10.459 1.770 1.00 0.00 C ATOM 185 O GLU A 12 -14.365 10.155 1.350 1.00 0.00 O ATOM 186 CB GLU A 12 -12.589 10.576 4.184 1.00 0.00 C ATOM 187 CG GLU A 12 -13.159 9.905 5.410 1.00 0.00 C ATOM 188 CD GLU A 12 -14.658 9.891 5.390 1.00 0.00 C ATOM 189 OE1 GLU A 12 -15.270 9.028 4.739 1.00 0.00 O ATOM 190 OE2 GLU A 12 -15.249 10.782 6.023 1.00 0.00 O ATOM 0 H GLU A 12 -10.580 9.833 3.408 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.211 8.837 3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.562 10.875 4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.153 11.488 3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.787 8.882 5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.812 10.424 6.303 1.00 0.00 H new ATOM 197 N GLU A 13 -12.438 11.330 1.178 1.00 0.00 N ATOM 198 CA GLU A 13 -12.872 12.175 0.090 1.00 0.00 C ATOM 199 C GLU A 13 -12.774 11.480 -1.268 1.00 0.00 C ATOM 200 O GLU A 13 -13.644 11.668 -2.120 1.00 0.00 O ATOM 201 CB GLU A 13 -12.066 13.451 0.080 1.00 0.00 C ATOM 202 CG GLU A 13 -10.608 13.265 -0.215 1.00 0.00 C ATOM 203 CD GLU A 13 -9.856 14.567 -0.235 1.00 0.00 C ATOM 204 OE1 GLU A 13 -9.761 15.200 -1.303 1.00 0.00 O ATOM 205 OE2 GLU A 13 -9.381 15.004 0.821 1.00 0.00 O ATOM 0 H GLU A 13 -11.463 11.470 1.444 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.925 12.403 0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.490 14.128 -0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.168 13.937 1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.170 12.607 0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.496 12.769 -1.179 1.00 0.00 H new ATOM 212 N LEU A 14 -11.717 10.701 -1.482 1.00 0.00 N ATOM 213 CA LEU A 14 -11.552 10.012 -2.748 1.00 0.00 C ATOM 214 C LEU A 14 -12.409 8.791 -2.779 1.00 0.00 C ATOM 215 O LEU A 14 -12.925 8.437 -3.827 1.00 0.00 O ATOM 216 CB LEU A 14 -10.089 9.644 -3.049 1.00 0.00 C ATOM 217 CG LEU A 14 -9.255 10.635 -3.884 1.00 0.00 C ATOM 218 CD1 LEU A 14 -9.833 10.777 -5.285 1.00 0.00 C ATOM 219 CD2 LEU A 14 -9.141 11.994 -3.217 1.00 0.00 C ATOM 0 H LEU A 14 -10.974 10.536 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.865 10.705 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.579 9.496 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.085 8.684 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.248 10.224 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.230 11.481 -5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.827 9.806 -5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.857 11.145 -5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.544 12.658 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.136 12.418 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.660 11.883 -2.245 1.00 0.00 H new ATOM 231 N SER A 15 -12.426 8.082 -1.663 1.00 0.00 N ATOM 232 CA SER A 15 -13.306 6.942 -1.506 1.00 0.00 C ATOM 233 C SER A 15 -14.725 7.393 -1.770 1.00 0.00 C ATOM 234 O SER A 15 -15.184 7.291 -2.906 1.00 0.00 O ATOM 235 CB SER A 15 -13.173 6.305 -0.114 1.00 0.00 C ATOM 236 OG SER A 15 -13.787 5.040 -0.032 1.00 0.00 O ATOM 0 H SER A 15 -11.839 8.278 -0.853 1.00 0.00 H new ATOM 0 HA SER A 15 -13.025 6.170 -2.223 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.117 6.208 0.137 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.617 6.968 0.628 1.00 0.00 H new ATOM 0 HG SER A 15 -13.672 4.679 0.872 1.00 0.00 H new ATOM 242 N ALA A 16 -15.430 7.816 -0.720 1.00 0.00 N ATOM 243 CA ALA A 16 -16.728 8.437 -0.885 1.00 0.00 C ATOM 244 C ALA A 16 -17.685 7.608 -1.767 1.00 0.00 C ATOM 245 O ALA A 16 -17.732 6.386 -1.694 1.00 0.00 O ATOM 246 CB ALA A 16 -16.480 9.816 -1.485 1.00 0.00 C ATOM 0 H ALA A 16 -15.118 7.737 0.248 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.226 8.507 0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.432 10.327 -1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.854 10.399 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.976 9.710 -2.446 1.00 0.00 H new ATOM 252 N GLU A 17 -18.366 8.291 -2.657 1.00 0.00 N ATOM 253 CA GLU A 17 -19.324 7.721 -3.586 1.00 0.00 C ATOM 254 C GLU A 17 -18.618 6.986 -4.714 1.00 0.00 C ATOM 255 O GLU A 17 -19.264 6.461 -5.625 1.00 0.00 O ATOM 256 CB GLU A 17 -20.091 8.860 -4.207 1.00 0.00 C ATOM 257 CG GLU A 17 -20.808 9.758 -3.211 1.00 0.00 C ATOM 258 CD GLU A 17 -21.904 9.060 -2.435 1.00 0.00 C ATOM 259 OE1 GLU A 17 -21.602 8.331 -1.476 1.00 0.00 O ATOM 260 OE2 GLU A 17 -23.096 9.257 -2.763 1.00 0.00 O ATOM 0 H GLU A 17 -18.266 9.301 -2.761 1.00 0.00 H new ATOM 0 HA GLU A 17 -19.968 7.025 -3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.402 9.468 -4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -20.825 8.451 -4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -20.078 10.160 -2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -21.237 10.606 -3.745 1.00 0.00 H new ATOM 267 N ILE A 18 -17.310 6.918 -4.640 1.00 0.00 N ATOM 268 CA ILE A 18 -16.518 6.321 -5.663 1.00 0.00 C ATOM 269 C ILE A 18 -15.853 5.080 -5.175 1.00 0.00 C ATOM 270 O ILE A 18 -16.487 4.017 -5.263 1.00 0.00 O ATOM 271 CB ILE A 18 -15.667 7.316 -6.530 1.00 0.00 C ATOM 272 CG1 ILE A 18 -14.410 6.667 -7.126 1.00 0.00 C ATOM 273 CG2 ILE A 18 -15.356 8.615 -5.793 1.00 0.00 C ATOM 274 CD1 ILE A 18 -13.630 7.550 -8.077 1.00 0.00 C ATOM 0 H ILE A 18 -16.770 7.282 -3.855 1.00 0.00 H new ATOM 0 HA ILE A 18 -17.199 5.975 -6.440 1.00 0.00 H new ATOM 0 HB ILE A 18 -16.297 7.585 -7.378 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.753 6.365 -6.311 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -14.702 5.759 -7.653 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -14.766 9.267 -6.437 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -16.288 9.115 -5.527 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.792 8.393 -4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.760 7.007 -8.447 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -14.266 7.832 -8.916 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -13.302 8.448 -7.553 1.00 0.00 H new ATOM 286 N GLY A 19 -14.660 5.049 -4.623 1.00 0.00 N ATOM 287 CA GLY A 19 -14.102 3.815 -4.240 1.00 0.00 C ATOM 288 C GLY A 19 -14.437 3.331 -2.875 1.00 0.00 C ATOM 289 O GLY A 19 -13.696 2.540 -2.351 1.00 0.00 O ATOM 0 H GLY A 19 -14.079 5.867 -4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.420 3.059 -4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.018 3.892 -4.318 1.00 0.00 H new ATOM 293 N SER A 20 -15.526 3.775 -2.288 1.00 0.00 N ATOM 294 CA SER A 20 -15.990 3.115 -1.084 1.00 0.00 C ATOM 295 C SER A 20 -16.793 1.896 -1.533 1.00 0.00 C ATOM 296 O SER A 20 -17.166 1.029 -0.747 1.00 0.00 O ATOM 297 CB SER A 20 -16.796 4.082 -0.231 1.00 0.00 C ATOM 298 OG SER A 20 -17.191 3.518 1.007 1.00 0.00 O ATOM 0 H SER A 20 -16.091 4.562 -2.608 1.00 0.00 H new ATOM 0 HA SER A 20 -15.165 2.786 -0.452 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.203 4.978 -0.045 1.00 0.00 H new ATOM 0 HB3 SER A 20 -17.682 4.395 -0.783 1.00 0.00 H new ATOM 0 HG SER A 20 -17.704 4.178 1.518 1.00 0.00 H new ATOM 304 N ASP A 21 -17.016 1.862 -2.843 1.00 0.00 N ATOM 305 CA ASP A 21 -17.582 0.678 -3.454 1.00 0.00 C ATOM 306 C ASP A 21 -16.541 -0.052 -4.248 1.00 0.00 C ATOM 307 O ASP A 21 -16.501 -1.269 -4.266 1.00 0.00 O ATOM 308 CB ASP A 21 -18.670 1.087 -4.420 1.00 0.00 C ATOM 309 CG ASP A 21 -19.661 -0.023 -4.714 1.00 0.00 C ATOM 310 OD1 ASP A 21 -19.345 -0.961 -5.462 1.00 0.00 O ATOM 311 OD2 ASP A 21 -20.790 0.046 -4.193 1.00 0.00 O ATOM 0 H ASP A 21 -16.816 2.628 -3.486 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.970 0.039 -2.661 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -19.206 1.944 -4.011 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.213 1.413 -5.354 1.00 0.00 H new ATOM 316 N ASN A 22 -15.649 0.699 -4.864 1.00 0.00 N ATOM 317 CA ASN A 22 -14.706 0.093 -5.802 1.00 0.00 C ATOM 318 C ASN A 22 -13.388 -0.322 -5.142 1.00 0.00 C ATOM 319 O ASN A 22 -12.837 -1.374 -5.437 1.00 0.00 O ATOM 320 CB ASN A 22 -14.461 1.079 -6.959 1.00 0.00 C ATOM 321 CG ASN A 22 -13.435 0.587 -7.972 1.00 0.00 C ATOM 322 OD1 ASN A 22 -13.772 -0.101 -8.929 1.00 0.00 O ATOM 323 ND2 ASN A 22 -12.186 0.971 -7.794 1.00 0.00 N ATOM 0 H ASN A 22 -15.552 1.707 -4.741 1.00 0.00 H new ATOM 0 HA ASN A 22 -15.147 -0.829 -6.180 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -15.404 1.266 -7.472 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -14.126 2.032 -6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.467 0.696 -8.464 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.939 1.543 -6.987 1.00 0.00 H new ATOM 330 N VAL A 23 -12.894 0.490 -4.251 1.00 0.00 N ATOM 331 CA VAL A 23 -11.583 0.245 -3.679 1.00 0.00 C ATOM 332 C VAL A 23 -11.491 -0.831 -2.575 1.00 0.00 C ATOM 333 O VAL A 23 -10.494 -1.532 -2.538 1.00 0.00 O ATOM 334 CB VAL A 23 -10.828 1.542 -3.372 1.00 0.00 C ATOM 335 CG1 VAL A 23 -9.456 1.290 -2.767 1.00 0.00 C ATOM 336 CG2 VAL A 23 -10.698 2.332 -4.664 1.00 0.00 C ATOM 0 H VAL A 23 -13.368 1.323 -3.902 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.040 -0.248 -4.485 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.392 2.104 -2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.965 2.243 -2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.566 0.738 -1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.852 0.708 -3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.163 3.261 -4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -10.147 1.742 -5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -11.691 2.559 -5.053 1.00 0.00 H new ATOM 346 N PRO A 24 -12.477 -1.032 -1.663 1.00 0.00 N ATOM 347 CA PRO A 24 -12.417 -2.183 -0.755 1.00 0.00 C ATOM 348 C PRO A 24 -12.440 -3.468 -1.582 1.00 0.00 C ATOM 349 O PRO A 24 -11.873 -4.490 -1.185 1.00 0.00 O ATOM 350 CB PRO A 24 -13.668 -2.035 0.115 1.00 0.00 C ATOM 351 CG PRO A 24 -13.959 -0.579 0.053 1.00 0.00 C ATOM 352 CD PRO A 24 -13.639 -0.189 -1.359 1.00 0.00 C ATOM 0 HA PRO A 24 -11.515 -2.225 -0.144 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.498 -2.628 -0.270 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.488 -2.366 1.138 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.002 -0.373 0.295 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.350 -0.022 0.766 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.472 -0.387 -2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.405 0.872 -1.444 1.00 0.00 H new ATOM 360 N VAL A 25 -13.112 -3.381 -2.742 1.00 0.00 N ATOM 361 CA VAL A 25 -13.010 -4.465 -3.714 1.00 0.00 C ATOM 362 C VAL A 25 -11.544 -4.669 -4.105 1.00 0.00 C ATOM 363 O VAL A 25 -10.965 -5.715 -3.856 1.00 0.00 O ATOM 364 CB VAL A 25 -13.858 -4.234 -4.993 1.00 0.00 C ATOM 365 CG1 VAL A 25 -13.651 -5.365 -5.997 1.00 0.00 C ATOM 366 CG2 VAL A 25 -15.331 -4.125 -4.643 1.00 0.00 C ATOM 0 H VAL A 25 -13.708 -2.600 -3.017 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.411 -5.355 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.528 -3.299 -5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.256 -5.179 -6.884 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.599 -5.413 -6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.950 -6.311 -5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.910 -3.963 -5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.660 -5.046 -4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.482 -3.287 -3.963 1.00 0.00 H new ATOM 376 N LEU A 26 -10.940 -3.610 -4.596 1.00 0.00 N ATOM 377 CA LEU A 26 -9.598 -3.594 -5.164 1.00 0.00 C ATOM 378 C LEU A 26 -8.529 -4.030 -4.117 1.00 0.00 C ATOM 379 O LEU A 26 -7.768 -4.979 -4.320 1.00 0.00 O ATOM 380 CB LEU A 26 -9.371 -2.137 -5.668 1.00 0.00 C ATOM 381 CG LEU A 26 -8.260 -1.871 -6.702 1.00 0.00 C ATOM 382 CD1 LEU A 26 -6.878 -2.149 -6.143 1.00 0.00 C ATOM 383 CD2 LEU A 26 -8.534 -2.696 -7.949 1.00 0.00 C ATOM 0 H LEU A 26 -11.385 -2.693 -4.614 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.499 -4.308 -5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.310 -1.786 -6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.166 -1.515 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.272 -0.812 -6.960 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.129 -1.947 -6.908 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.698 -1.507 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.812 -3.193 -5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.752 -2.513 -8.686 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.547 -3.755 -7.689 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.500 -2.413 -8.368 1.00 0.00 H new ATOM 395 N LEU A 27 -8.473 -3.247 -3.072 1.00 0.00 N ATOM 396 CA LEU A 27 -7.538 -3.502 -1.980 1.00 0.00 C ATOM 397 C LEU A 27 -7.613 -4.964 -1.504 1.00 0.00 C ATOM 398 O LEU A 27 -6.611 -5.662 -1.486 1.00 0.00 O ATOM 399 CB LEU A 27 -7.854 -2.574 -0.810 1.00 0.00 C ATOM 400 CG LEU A 27 -7.117 -2.859 0.501 1.00 0.00 C ATOM 401 CD1 LEU A 27 -5.630 -2.556 0.384 1.00 0.00 C ATOM 402 CD2 LEU A 27 -7.745 -2.101 1.659 1.00 0.00 C ATOM 0 H LEU A 27 -9.060 -2.423 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.530 -3.314 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.629 -1.552 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.926 -2.620 -0.617 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.216 -3.925 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.139 -2.770 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.193 -3.176 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.492 -1.504 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.201 -2.323 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.700 -1.030 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.786 -2.406 1.772 1.00 0.00 H new ATOM 414 N ASP A 28 -8.804 -5.444 -1.186 1.00 0.00 N ATOM 415 CA ASP A 28 -8.923 -6.795 -0.643 1.00 0.00 C ATOM 416 C ASP A 28 -8.572 -7.883 -1.668 1.00 0.00 C ATOM 417 O ASP A 28 -8.009 -8.922 -1.304 1.00 0.00 O ATOM 418 CB ASP A 28 -10.306 -7.039 -0.040 1.00 0.00 C ATOM 419 CG ASP A 28 -10.381 -8.349 0.712 1.00 0.00 C ATOM 420 OD1 ASP A 28 -9.831 -8.424 1.836 1.00 0.00 O ATOM 421 OD2 ASP A 28 -10.983 -9.318 0.197 1.00 0.00 O ATOM 0 H ASP A 28 -9.683 -4.937 -1.289 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.185 -6.865 0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.555 -6.220 0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.052 -7.035 -0.835 1.00 0.00 H new ATOM 426 N ILE A 29 -8.817 -7.619 -2.950 1.00 0.00 N ATOM 427 CA ILE A 29 -8.584 -8.629 -3.982 1.00 0.00 C ATOM 428 C ILE A 29 -7.108 -8.730 -4.303 1.00 0.00 C ATOM 429 O ILE A 29 -6.523 -9.814 -4.231 1.00 0.00 O ATOM 430 CB ILE A 29 -9.395 -8.418 -5.310 1.00 0.00 C ATOM 431 CG1 ILE A 29 -9.086 -7.050 -5.941 1.00 0.00 C ATOM 432 CG2 ILE A 29 -10.886 -8.581 -5.062 1.00 0.00 C ATOM 433 CD1 ILE A 29 -9.668 -6.786 -7.308 1.00 0.00 C ATOM 0 H ILE A 29 -9.172 -6.728 -3.296 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.951 -9.560 -3.550 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.083 -9.185 -6.019 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.444 -6.275 -5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.003 -6.942 -6.006 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.429 -8.431 -5.995 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.085 -9.584 -4.684 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.215 -7.845 -4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.378 -5.790 -7.641 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.292 -7.528 -8.013 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.755 -6.850 -7.259 1.00 0.00 H new ATOM 445 N PHE A 30 -6.502 -7.580 -4.569 1.00 0.00 N ATOM 446 CA PHE A 30 -5.130 -7.479 -4.989 1.00 0.00 C ATOM 447 C PHE A 30 -4.193 -7.804 -3.875 1.00 0.00 C ATOM 448 O PHE A 30 -3.088 -8.190 -4.100 1.00 0.00 O ATOM 449 CB PHE A 30 -4.871 -6.102 -5.573 1.00 0.00 C ATOM 450 CG PHE A 30 -5.351 -5.914 -6.998 1.00 0.00 C ATOM 451 CD1 PHE A 30 -5.948 -6.946 -7.713 1.00 0.00 C ATOM 452 CD2 PHE A 30 -5.172 -4.703 -7.633 1.00 0.00 C ATOM 453 CE1 PHE A 30 -6.354 -6.760 -9.018 1.00 0.00 C ATOM 454 CE2 PHE A 30 -5.580 -4.509 -8.934 1.00 0.00 C ATOM 455 CZ PHE A 30 -6.167 -5.540 -9.629 1.00 0.00 C ATOM 0 H PHE A 30 -6.970 -6.677 -4.494 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.945 -8.217 -5.769 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.355 -5.358 -4.941 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.800 -5.903 -5.536 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.096 -7.906 -7.240 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.702 -3.890 -7.099 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.818 -7.570 -9.560 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.439 -3.549 -9.408 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.481 -5.393 -10.652 1.00 0.00 H new ATOM 465 N LEU A 31 -4.701 -7.776 -2.680 1.00 0.00 N ATOM 466 CA LEU A 31 -3.906 -8.127 -1.585 1.00 0.00 C ATOM 467 C LEU A 31 -4.150 -9.538 -1.179 1.00 0.00 C ATOM 468 O LEU A 31 -3.252 -10.187 -0.714 1.00 0.00 O ATOM 469 CB LEU A 31 -3.961 -7.074 -0.463 1.00 0.00 C ATOM 470 CG LEU A 31 -3.162 -5.775 -0.699 1.00 0.00 C ATOM 471 CD1 LEU A 31 -1.686 -6.078 -0.917 1.00 0.00 C ATOM 472 CD2 LEU A 31 -3.693 -4.927 -1.845 1.00 0.00 C ATOM 0 H LEU A 31 -5.661 -7.512 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.858 -8.109 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.005 -6.807 -0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.599 -7.535 0.456 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.287 -5.185 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.144 -5.147 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.284 -6.582 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.572 -6.723 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.080 -4.032 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.656 -5.502 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.724 -4.639 -1.638 1.00 0.00 H new ATOM 484 N GLY A 32 -5.359 -10.034 -1.383 1.00 0.00 N ATOM 485 CA GLY A 32 -5.681 -11.416 -1.131 1.00 0.00 C ATOM 486 C GLY A 32 -4.991 -12.358 -2.109 1.00 0.00 C ATOM 487 O GLY A 32 -4.457 -13.375 -1.699 1.00 0.00 O ATOM 0 H GLY A 32 -6.143 -9.482 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.389 -11.675 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.760 -11.553 -1.198 1.00 0.00 H new ATOM 491 N GLU A 33 -4.985 -12.021 -3.403 1.00 0.00 N ATOM 492 CA GLU A 33 -4.300 -12.863 -4.399 1.00 0.00 C ATOM 493 C GLU A 33 -2.779 -12.724 -4.249 1.00 0.00 C ATOM 494 O GLU A 33 -2.014 -13.666 -4.478 1.00 0.00 O ATOM 495 CB GLU A 33 -4.760 -12.538 -5.826 1.00 0.00 C ATOM 496 CG GLU A 33 -4.520 -11.106 -6.274 1.00 0.00 C ATOM 497 CD GLU A 33 -5.006 -10.860 -7.677 1.00 0.00 C ATOM 498 OE1 GLU A 33 -4.262 -11.151 -8.633 1.00 0.00 O ATOM 499 OE2 GLU A 33 -6.151 -10.408 -7.862 1.00 0.00 O ATOM 0 H GLU A 33 -5.436 -11.189 -3.784 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.569 -13.903 -4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.248 -13.208 -6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.826 -12.752 -5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.026 -10.424 -5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.455 -10.883 -6.216 1.00 0.00 H new ATOM 506 N MET A 34 -2.380 -11.532 -3.844 1.00 0.00 N ATOM 507 CA MET A 34 -0.985 -11.248 -3.520 1.00 0.00 C ATOM 508 C MET A 34 -0.565 -12.186 -2.399 1.00 0.00 C ATOM 509 O MET A 34 0.376 -12.962 -2.512 1.00 0.00 O ATOM 510 CB MET A 34 -0.917 -9.868 -2.940 1.00 0.00 C ATOM 511 CG MET A 34 0.059 -8.875 -3.589 1.00 0.00 C ATOM 512 SD MET A 34 -0.383 -8.246 -5.252 1.00 0.00 S ATOM 513 CE MET A 34 -0.506 -9.704 -6.276 1.00 0.00 C ATOM 0 H MET A 34 -3.006 -10.735 -3.729 1.00 0.00 H new ATOM 0 HA MET A 34 -0.361 -11.356 -4.407 1.00 0.00 H new ATOM 0 HB2 MET A 34 -1.916 -9.435 -2.983 1.00 0.00 H new ATOM 0 HB3 MET A 34 -0.654 -9.958 -1.886 1.00 0.00 H new ATOM 0 HG2 MET A 34 0.168 -8.021 -2.921 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.036 -9.354 -3.656 1.00 0.00 H new ATOM 0 HE1 MET A 34 -0.520 -9.411 -7.326 1.00 0.00 H new ATOM 0 HE2 MET A 34 0.351 -10.352 -6.092 1.00 0.00 H new ATOM 0 HE3 MET A 34 -1.424 -10.240 -6.036 1.00 0.00 H new ATOM 523 N ASP A 35 -1.379 -12.167 -1.359 1.00 0.00 N ATOM 524 CA ASP A 35 -1.256 -12.916 -0.119 1.00 0.00 C ATOM 525 C ASP A 35 -1.204 -14.406 -0.416 1.00 0.00 C ATOM 526 O ASP A 35 -0.478 -15.170 0.223 1.00 0.00 O ATOM 527 CB ASP A 35 -2.528 -12.606 0.665 1.00 0.00 C ATOM 528 CG ASP A 35 -2.566 -13.146 2.083 1.00 0.00 C ATOM 529 OD1 ASP A 35 -2.892 -14.321 2.278 1.00 0.00 O ATOM 530 OD2 ASP A 35 -2.311 -12.380 3.028 1.00 0.00 O ATOM 0 H ASP A 35 -2.212 -11.579 -1.359 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.352 -12.648 0.428 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.657 -11.524 0.703 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.380 -13.010 0.117 1.00 0.00 H new ATOM 535 N SER A 36 -1.932 -14.776 -1.457 1.00 0.00 N ATOM 536 CA SER A 36 -2.053 -16.166 -1.850 1.00 0.00 C ATOM 537 C SER A 36 -0.702 -16.735 -2.264 1.00 0.00 C ATOM 538 O SER A 36 -0.362 -17.897 -2.003 1.00 0.00 O ATOM 539 CB SER A 36 -3.091 -16.357 -2.958 1.00 0.00 C ATOM 540 OG SER A 36 -4.369 -15.877 -2.557 1.00 0.00 O ATOM 0 H SER A 36 -2.451 -14.126 -2.047 1.00 0.00 H new ATOM 0 HA SER A 36 -2.404 -16.719 -0.979 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.768 -15.831 -3.856 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.161 -17.414 -3.215 1.00 0.00 H new ATOM 0 HG SER A 36 -4.299 -14.933 -2.303 1.00 0.00 H new ATOM 546 N TYR A 37 0.070 -15.874 -2.868 1.00 0.00 N ATOM 547 CA TYR A 37 1.391 -16.197 -3.337 1.00 0.00 C ATOM 548 C TYR A 37 2.343 -16.353 -2.214 1.00 0.00 C ATOM 549 O TYR A 37 3.262 -17.103 -2.255 1.00 0.00 O ATOM 550 CB TYR A 37 1.863 -15.133 -4.300 1.00 0.00 C ATOM 551 CG TYR A 37 1.394 -15.428 -5.661 1.00 0.00 C ATOM 552 CD1 TYR A 37 0.216 -16.101 -5.840 1.00 0.00 C ATOM 553 CD2 TYR A 37 2.178 -15.144 -6.740 1.00 0.00 C ATOM 554 CE1 TYR A 37 -0.194 -16.492 -7.064 1.00 0.00 C ATOM 555 CE2 TYR A 37 1.780 -15.512 -8.005 1.00 0.00 C ATOM 556 CZ TYR A 37 0.588 -16.201 -8.166 1.00 0.00 C ATOM 557 OH TYR A 37 0.191 -16.603 -9.420 1.00 0.00 O ATOM 0 H TYR A 37 -0.206 -14.909 -3.052 1.00 0.00 H new ATOM 0 HA TYR A 37 1.348 -17.154 -3.857 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.492 -14.158 -3.984 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.952 -15.079 -4.287 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.400 -16.324 -4.981 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.116 -14.628 -6.601 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.125 -17.027 -7.182 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.389 -15.267 -8.862 1.00 0.00 H new ATOM 0 HH TYR A 37 0.855 -16.316 -10.081 1.00 0.00 H new ATOM 567 N ILE A 38 2.092 -15.666 -1.212 1.00 0.00 N ATOM 568 CA ILE A 38 2.963 -15.704 -0.066 1.00 0.00 C ATOM 569 C ILE A 38 2.819 -16.989 0.663 1.00 0.00 C ATOM 570 O ILE A 38 3.815 -17.627 1.002 1.00 0.00 O ATOM 571 CB ILE A 38 2.886 -14.435 0.805 1.00 0.00 C ATOM 572 CG1 ILE A 38 3.732 -13.368 0.134 1.00 0.00 C ATOM 573 CG2 ILE A 38 3.430 -14.674 2.212 1.00 0.00 C ATOM 574 CD1 ILE A 38 3.505 -13.183 -1.340 1.00 0.00 C ATOM 0 H ILE A 38 1.286 -15.047 -1.121 1.00 0.00 H new ATOM 0 HA ILE A 38 3.993 -15.682 -0.423 1.00 0.00 H new ATOM 0 HB ILE A 38 1.842 -14.135 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.546 -12.417 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.783 -13.611 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.357 -13.754 2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.848 -15.457 2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.474 -14.982 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.161 -12.397 -1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.722 -14.115 -1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.467 -12.902 -1.516 1.00 0.00 H new ATOM 586 N GLY A 39 1.590 -17.413 0.807 1.00 0.00 N ATOM 587 CA GLY A 39 1.348 -18.705 1.344 1.00 0.00 C ATOM 588 C GLY A 39 2.009 -19.761 0.467 1.00 0.00 C ATOM 589 O GLY A 39 3.012 -20.371 0.848 1.00 0.00 O ATOM 0 H GLY A 39 0.756 -16.881 0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.739 -18.766 2.360 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.275 -18.889 1.404 1.00 0.00 H new ATOM 593 N THR A 40 1.535 -19.867 -0.752 1.00 0.00 N ATOM 594 CA THR A 40 1.941 -20.891 -1.660 1.00 0.00 C ATOM 595 C THR A 40 3.310 -20.622 -2.309 1.00 0.00 C ATOM 596 O THR A 40 4.261 -21.355 -2.063 1.00 0.00 O ATOM 597 CB THR A 40 0.851 -21.050 -2.726 1.00 0.00 C ATOM 598 OG1 THR A 40 -0.386 -21.388 -2.078 1.00 0.00 O ATOM 599 CG2 THR A 40 1.212 -22.105 -3.755 1.00 0.00 C ATOM 0 H THR A 40 0.843 -19.226 -1.140 1.00 0.00 H new ATOM 0 HA THR A 40 2.065 -21.815 -1.096 1.00 0.00 H new ATOM 0 HB THR A 40 0.750 -20.106 -3.261 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.091 -21.490 -2.751 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.412 -22.184 -4.491 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.138 -21.823 -4.255 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.345 -23.066 -3.259 1.00 0.00 H new ATOM 607 N LEU A 41 3.418 -19.582 -3.123 1.00 0.00 N ATOM 608 CA LEU A 41 4.596 -19.246 -3.910 1.00 0.00 C ATOM 609 C LEU A 41 5.803 -18.819 -3.045 1.00 0.00 C ATOM 610 O LEU A 41 6.904 -18.878 -3.502 1.00 0.00 O ATOM 611 CB LEU A 41 4.286 -18.069 -4.814 1.00 0.00 C ATOM 612 CG LEU A 41 3.226 -18.118 -5.896 1.00 0.00 C ATOM 613 CD1 LEU A 41 3.878 -18.298 -7.253 1.00 0.00 C ATOM 614 CD2 LEU A 41 2.152 -19.173 -5.710 1.00 0.00 C ATOM 0 H LEU A 41 2.654 -18.920 -3.259 1.00 0.00 H new ATOM 0 HA LEU A 41 4.851 -20.149 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.023 -17.237 -4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.221 -17.803 -5.308 1.00 0.00 H new ATOM 0 HG LEU A 41 2.710 -17.161 -5.824 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.109 -18.332 -8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.550 -17.462 -7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.444 -19.229 -7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.445 -19.122 -6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.612 -20.161 -5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.626 -18.995 -4.772 1.00 0.00 H new ATOM 626 N THR A 42 5.597 -18.382 -1.811 1.00 0.00 N ATOM 627 CA THR A 42 6.780 -18.033 -1.002 1.00 0.00 C ATOM 628 C THR A 42 7.328 -19.273 -0.385 1.00 0.00 C ATOM 629 O THR A 42 8.536 -19.503 -0.299 1.00 0.00 O ATOM 630 CB THR A 42 6.426 -16.958 0.038 1.00 0.00 C ATOM 631 OG1 THR A 42 6.089 -15.743 -0.641 1.00 0.00 O ATOM 632 CG2 THR A 42 7.533 -16.714 1.052 1.00 0.00 C ATOM 0 H THR A 42 4.690 -18.262 -1.361 1.00 0.00 H new ATOM 0 HA THR A 42 7.555 -17.602 -1.635 1.00 0.00 H new ATOM 0 HB THR A 42 5.573 -17.323 0.609 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.465 -14.981 -0.153 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.218 -15.944 1.756 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.741 -17.637 1.593 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.434 -16.385 0.535 1.00 0.00 H new ATOM 640 N GLU A 43 6.404 -20.084 -0.036 1.00 0.00 N ATOM 641 CA GLU A 43 6.697 -21.430 0.409 1.00 0.00 C ATOM 642 C GLU A 43 7.261 -22.277 -0.768 1.00 0.00 C ATOM 643 O GLU A 43 7.765 -23.381 -0.572 1.00 0.00 O ATOM 644 CB GLU A 43 5.447 -22.082 0.985 1.00 0.00 C ATOM 645 CG GLU A 43 5.668 -23.464 1.543 1.00 0.00 C ATOM 646 CD GLU A 43 6.638 -23.462 2.703 1.00 0.00 C ATOM 647 OE1 GLU A 43 6.252 -23.022 3.807 1.00 0.00 O ATOM 648 OE2 GLU A 43 7.804 -23.881 2.530 1.00 0.00 O ATOM 0 H GLU A 43 5.411 -19.851 -0.044 1.00 0.00 H new ATOM 0 HA GLU A 43 7.453 -21.381 1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.050 -21.444 1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.687 -22.135 0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.714 -23.879 1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.047 -24.116 0.756 1.00 0.00 H new ATOM 655 N LEU A 44 7.214 -21.764 -1.992 1.00 0.00 N ATOM 656 CA LEU A 44 7.646 -22.536 -3.124 1.00 0.00 C ATOM 657 C LEU A 44 8.770 -21.840 -3.927 1.00 0.00 C ATOM 658 O LEU A 44 9.539 -22.521 -4.611 1.00 0.00 O ATOM 659 CB LEU A 44 6.378 -22.884 -3.971 1.00 0.00 C ATOM 660 CG LEU A 44 6.128 -22.193 -5.327 1.00 0.00 C ATOM 661 CD1 LEU A 44 6.985 -22.785 -6.436 1.00 0.00 C ATOM 662 CD2 LEU A 44 4.661 -22.301 -5.691 1.00 0.00 C ATOM 0 H LEU A 44 6.883 -20.825 -2.213 1.00 0.00 H new ATOM 0 HA LEU A 44 8.113 -23.464 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.400 -23.958 -4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.508 -22.686 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 44 6.408 -21.145 -5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.776 -22.268 -7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.039 -22.667 -6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.755 -23.845 -6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.487 -21.812 -6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.381 -23.352 -5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.059 -21.817 -4.922 1.00 0.00 H new ATOM 674 N GLN A 45 8.910 -20.518 -3.804 1.00 0.00 N ATOM 675 CA GLN A 45 9.829 -19.753 -4.653 1.00 0.00 C ATOM 676 C GLN A 45 10.010 -18.292 -4.171 1.00 0.00 C ATOM 677 O GLN A 45 9.694 -17.940 -3.036 1.00 0.00 O ATOM 678 CB GLN A 45 9.288 -19.743 -6.096 1.00 0.00 C ATOM 679 CG GLN A 45 8.043 -18.890 -6.307 1.00 0.00 C ATOM 680 CD GLN A 45 7.581 -18.907 -7.747 1.00 0.00 C ATOM 681 OE1 GLN A 45 6.760 -19.729 -8.147 1.00 0.00 O ATOM 682 NE2 GLN A 45 8.133 -18.025 -8.551 1.00 0.00 N ATOM 0 H GLN A 45 8.399 -19.954 -3.125 1.00 0.00 H new ATOM 0 HA GLN A 45 10.804 -20.238 -4.601 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.074 -19.384 -6.761 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.063 -20.768 -6.392 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.241 -19.254 -5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.252 -17.864 -6.005 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.811 -17.356 -8.186 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.883 -18.009 -9.540 1.00 0.00 H new ATOM 691 N GLY A 46 10.469 -17.456 -5.103 1.00 0.00 N ATOM 692 CA GLY A 46 10.768 -16.062 -4.880 1.00 0.00 C ATOM 693 C GLY A 46 9.556 -15.172 -4.988 1.00 0.00 C ATOM 694 O GLY A 46 9.584 -14.134 -5.639 1.00 0.00 O ATOM 0 H GLY A 46 10.645 -17.752 -6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.210 -15.945 -3.890 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.516 -15.737 -5.603 1.00 0.00 H new ATOM 698 N SER A 47 8.511 -15.585 -4.318 1.00 0.00 N ATOM 699 CA SER A 47 7.275 -14.838 -4.209 1.00 0.00 C ATOM 700 C SER A 47 7.406 -13.676 -3.228 1.00 0.00 C ATOM 701 O SER A 47 6.449 -13.173 -2.678 1.00 0.00 O ATOM 702 CB SER A 47 6.210 -15.749 -3.784 1.00 0.00 C ATOM 703 OG SER A 47 4.946 -15.136 -3.901 1.00 0.00 O ATOM 0 H SER A 47 8.491 -16.474 -3.818 1.00 0.00 H new ATOM 0 HA SER A 47 7.034 -14.411 -5.182 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.237 -16.654 -4.391 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.377 -16.053 -2.751 1.00 0.00 H new ATOM 0 HG SER A 47 5.004 -14.206 -3.598 1.00 0.00 H new ATOM 709 N GLU A 48 8.567 -13.136 -3.231 1.00 0.00 N ATOM 710 CA GLU A 48 8.875 -12.050 -2.363 1.00 0.00 C ATOM 711 C GLU A 48 9.585 -11.046 -3.214 1.00 0.00 C ATOM 712 O GLU A 48 9.350 -9.843 -3.137 1.00 0.00 O ATOM 713 CB GLU A 48 9.787 -12.606 -1.257 1.00 0.00 C ATOM 714 CG GLU A 48 9.395 -14.009 -0.707 1.00 0.00 C ATOM 715 CD GLU A 48 10.540 -14.625 0.055 1.00 0.00 C ATOM 716 OE1 GLU A 48 11.538 -15.036 -0.585 1.00 0.00 O ATOM 717 OE2 GLU A 48 10.476 -14.710 1.288 1.00 0.00 O ATOM 0 H GLU A 48 9.335 -13.431 -3.834 1.00 0.00 H new ATOM 0 HA GLU A 48 8.006 -11.588 -1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.806 -12.658 -1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.795 -11.899 -0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.526 -13.919 -0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.109 -14.661 -1.532 1.00 0.00 H new ATOM 724 N GLN A 49 10.439 -11.593 -4.061 1.00 0.00 N ATOM 725 CA GLN A 49 11.052 -10.868 -5.136 1.00 0.00 C ATOM 726 C GLN A 49 9.885 -10.366 -5.995 1.00 0.00 C ATOM 727 O GLN A 49 9.776 -9.179 -6.305 1.00 0.00 O ATOM 728 CB GLN A 49 11.950 -11.869 -5.908 1.00 0.00 C ATOM 729 CG GLN A 49 12.890 -11.280 -6.955 1.00 0.00 C ATOM 730 CD GLN A 49 12.221 -10.774 -8.226 1.00 0.00 C ATOM 731 OE1 GLN A 49 11.231 -11.489 -8.710 1.00 0.00 O flip ATOM 732 NE2 GLN A 49 12.675 -9.804 -8.830 1.00 0.00 N flip ATOM 0 H GLN A 49 10.724 -12.571 -4.012 1.00 0.00 H new ATOM 0 HA GLN A 49 11.673 -10.029 -4.822 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.550 -12.417 -5.182 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.304 -12.595 -6.401 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.440 -10.455 -6.501 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.623 -12.039 -7.228 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.444 -9.268 -8.429 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.282 -9.536 -9.732 1.00 0.00 H new ATOM 741 N LEU A 50 9.005 -11.314 -6.335 1.00 0.00 N ATOM 742 CA LEU A 50 7.824 -11.062 -7.050 1.00 0.00 C ATOM 743 C LEU A 50 6.953 -10.131 -6.290 1.00 0.00 C ATOM 744 O LEU A 50 6.785 -8.989 -6.722 1.00 0.00 O ATOM 745 CB LEU A 50 7.047 -12.357 -7.299 1.00 0.00 C ATOM 746 CG LEU A 50 7.728 -13.425 -8.150 1.00 0.00 C ATOM 747 CD1 LEU A 50 6.868 -14.679 -8.184 1.00 0.00 C ATOM 748 CD2 LEU A 50 7.961 -12.904 -9.558 1.00 0.00 C ATOM 0 H LEU A 50 9.132 -12.298 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 50 8.105 -10.619 -8.005 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.806 -12.798 -6.332 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.101 -12.098 -7.775 1.00 0.00 H new ATOM 0 HG LEU A 50 8.694 -13.671 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.357 -15.439 -8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.734 -15.056 -7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.895 -14.441 -8.614 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.447 -13.675 -10.155 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.005 -12.642 -10.012 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.598 -12.020 -9.518 1.00 0.00 H new ATOM 760 N LEU A 51 6.499 -10.563 -5.088 1.00 0.00 N ATOM 761 CA LEU A 51 5.351 -9.920 -4.491 1.00 0.00 C ATOM 762 C LEU A 51 5.472 -8.444 -4.284 1.00 0.00 C ATOM 763 O LEU A 51 4.514 -7.736 -4.439 1.00 0.00 O ATOM 764 CB LEU A 51 4.847 -10.527 -3.234 1.00 0.00 C ATOM 765 CG LEU A 51 3.379 -10.211 -3.062 1.00 0.00 C ATOM 766 CD1 LEU A 51 2.539 -11.202 -3.838 1.00 0.00 C ATOM 767 CD2 LEU A 51 2.948 -9.993 -1.614 1.00 0.00 C ATOM 0 H LEU A 51 6.906 -11.326 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 51 4.616 -10.102 -5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.995 -11.607 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.412 -10.145 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 51 3.197 -9.230 -3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.483 -10.965 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.795 -11.146 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.733 -12.210 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.881 -9.772 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.150 -10.894 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.505 -9.157 -1.190 1.00 0.00 H new ATOM 779 N TYR A 52 6.656 -7.982 -4.123 1.00 0.00 N ATOM 780 CA TYR A 52 6.939 -6.625 -3.818 1.00 0.00 C ATOM 781 C TYR A 52 6.755 -5.761 -5.030 1.00 0.00 C ATOM 782 O TYR A 52 6.003 -4.799 -5.023 1.00 0.00 O ATOM 783 CB TYR A 52 8.381 -6.616 -3.489 1.00 0.00 C ATOM 784 CG TYR A 52 8.939 -5.274 -3.164 1.00 0.00 C ATOM 785 CD1 TYR A 52 8.539 -4.590 -2.034 1.00 0.00 C ATOM 786 CD2 TYR A 52 9.891 -4.715 -3.985 1.00 0.00 C ATOM 787 CE1 TYR A 52 9.083 -3.368 -1.726 1.00 0.00 C ATOM 788 CE2 TYR A 52 10.444 -3.485 -3.691 1.00 0.00 C ATOM 789 CZ TYR A 52 10.038 -2.818 -2.551 1.00 0.00 C ATOM 790 OH TYR A 52 10.585 -1.602 -2.237 1.00 0.00 O ATOM 0 H TYR A 52 7.491 -8.562 -4.203 1.00 0.00 H new ATOM 0 HA TYR A 52 6.291 -6.254 -3.024 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.550 -7.279 -2.641 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.934 -7.030 -4.332 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.790 -5.021 -1.386 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.210 -5.245 -4.870 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.763 -2.840 -0.840 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.185 -3.049 -4.344 1.00 0.00 H new ATOM 0 HH TYR A 52 10.377 -1.380 -1.305 1.00 0.00 H new ATOM 800 N LEU A 53 7.400 -6.207 -6.082 1.00 0.00 N ATOM 801 CA LEU A 53 7.414 -5.383 -7.270 1.00 0.00 C ATOM 802 C LEU A 53 6.037 -5.309 -7.839 1.00 0.00 C ATOM 803 O LEU A 53 5.595 -4.262 -8.296 1.00 0.00 O ATOM 804 CB LEU A 53 8.514 -5.804 -8.275 1.00 0.00 C ATOM 805 CG LEU A 53 8.422 -7.185 -8.951 1.00 0.00 C ATOM 806 CD1 LEU A 53 7.505 -7.161 -10.165 1.00 0.00 C ATOM 807 CD2 LEU A 53 9.805 -7.677 -9.342 1.00 0.00 C ATOM 0 H LEU A 53 7.901 -7.093 -6.144 1.00 0.00 H new ATOM 0 HA LEU A 53 7.699 -4.366 -7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.543 -5.053 -9.064 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.470 -5.756 -7.754 1.00 0.00 H new ATOM 0 HG LEU A 53 7.990 -7.876 -8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.468 -8.154 -10.613 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.502 -6.864 -9.858 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.887 -6.448 -10.896 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.722 -8.654 -9.818 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.259 -6.971 -10.038 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.427 -7.759 -8.451 1.00 0.00 H new ATOM 819 N LYS A 54 5.337 -6.401 -7.744 1.00 0.00 N ATOM 820 CA LYS A 54 3.998 -6.387 -8.209 1.00 0.00 C ATOM 821 C LYS A 54 2.936 -5.878 -7.261 1.00 0.00 C ATOM 822 O LYS A 54 2.050 -5.226 -7.703 1.00 0.00 O ATOM 823 CB LYS A 54 3.596 -7.550 -9.103 1.00 0.00 C ATOM 824 CG LYS A 54 4.481 -8.774 -8.966 1.00 0.00 C ATOM 825 CD LYS A 54 4.167 -9.585 -7.743 1.00 0.00 C ATOM 826 CE LYS A 54 2.753 -10.035 -7.619 1.00 0.00 C ATOM 827 NZ LYS A 54 2.261 -10.826 -8.785 1.00 0.00 N ATOM 0 H LYS A 54 5.666 -7.286 -7.358 1.00 0.00 H new ATOM 0 HA LYS A 54 4.040 -5.553 -8.909 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.568 -7.831 -8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.612 -7.218 -10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.367 -9.400 -9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.524 -8.460 -8.930 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.812 -10.464 -7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.421 -8.996 -6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.653 -10.638 -6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.115 -9.161 -7.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.271 -11.102 -8.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.324 -10.248 -9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.845 -11.679 -8.897 1.00 0.00 H new ATOM 841 N GLU A 55 3.069 -6.069 -5.978 1.00 0.00 N ATOM 842 CA GLU A 55 1.974 -5.532 -5.167 1.00 0.00 C ATOM 843 C GLU A 55 2.037 -4.023 -5.137 1.00 0.00 C ATOM 844 O GLU A 55 1.048 -3.335 -5.322 1.00 0.00 O ATOM 845 CB GLU A 55 1.878 -6.075 -3.734 1.00 0.00 C ATOM 846 CG GLU A 55 2.951 -5.634 -2.759 1.00 0.00 C ATOM 847 CD GLU A 55 2.514 -5.877 -1.334 1.00 0.00 C ATOM 848 OE1 GLU A 55 1.728 -5.052 -0.810 1.00 0.00 O ATOM 849 OE2 GLU A 55 2.937 -6.877 -0.741 1.00 0.00 O ATOM 0 H GLU A 55 3.834 -6.540 -5.494 1.00 0.00 H new ATOM 0 HA GLU A 55 1.068 -5.879 -5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.910 -5.786 -3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.891 -7.164 -3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.875 -6.177 -2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.166 -4.575 -2.903 1.00 0.00 H new ATOM 856 N ILE A 56 3.211 -3.533 -4.921 1.00 0.00 N ATOM 857 CA ILE A 56 3.331 -2.115 -4.743 1.00 0.00 C ATOM 858 C ILE A 56 3.176 -1.331 -6.049 1.00 0.00 C ATOM 859 O ILE A 56 2.786 -0.176 -6.015 1.00 0.00 O ATOM 860 CB ILE A 56 4.613 -1.678 -4.015 1.00 0.00 C ATOM 861 CG1 ILE A 56 5.818 -1.831 -4.944 1.00 0.00 C ATOM 862 CG2 ILE A 56 4.809 -2.479 -2.732 1.00 0.00 C ATOM 863 CD1 ILE A 56 7.143 -1.550 -4.295 1.00 0.00 C ATOM 0 H ILE A 56 4.078 -4.067 -4.864 1.00 0.00 H new ATOM 0 HA ILE A 56 2.493 -1.866 -4.092 1.00 0.00 H new ATOM 0 HB ILE A 56 4.517 -0.628 -3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.829 -2.847 -5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.694 -1.159 -5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.722 -2.152 -2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.958 -2.319 -2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.887 -3.539 -2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.941 -1.682 -5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.157 -0.525 -3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.294 -2.238 -3.464 1.00 0.00 H new ATOM 875 N SER A 57 3.461 -1.945 -7.187 1.00 0.00 N ATOM 876 CA SER A 57 3.317 -1.230 -8.454 1.00 0.00 C ATOM 877 C SER A 57 1.939 -1.515 -9.041 1.00 0.00 C ATOM 878 O SER A 57 1.347 -0.703 -9.746 1.00 0.00 O ATOM 879 CB SER A 57 4.403 -1.658 -9.436 1.00 0.00 C ATOM 880 OG SER A 57 5.691 -1.558 -8.846 1.00 0.00 O ATOM 0 H SER A 57 3.785 -2.909 -7.265 1.00 0.00 H new ATOM 0 HA SER A 57 3.421 -0.160 -8.273 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.225 -2.684 -9.756 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.358 -1.033 -10.328 1.00 0.00 H new ATOM 0 HG SER A 57 5.970 -2.438 -8.518 1.00 0.00 H new ATOM 886 N HIS A 58 1.481 -2.699 -8.781 1.00 0.00 N ATOM 887 CA HIS A 58 0.197 -3.136 -9.216 1.00 0.00 C ATOM 888 C HIS A 58 -0.901 -2.721 -8.265 1.00 0.00 C ATOM 889 O HIS A 58 -1.626 -1.784 -8.592 1.00 0.00 O ATOM 890 CB HIS A 58 0.213 -4.611 -9.711 1.00 0.00 C ATOM 891 CG HIS A 58 -0.978 -5.465 -9.424 1.00 0.00 C ATOM 892 ND1 HIS A 58 -0.991 -6.262 -8.313 1.00 0.00 N ATOM 893 CD2 HIS A 58 -2.115 -5.656 -10.127 1.00 0.00 C ATOM 894 CE1 HIS A 58 -2.121 -6.918 -8.348 1.00 0.00 C ATOM 895 NE2 HIS A 58 -2.841 -6.594 -9.430 1.00 0.00 N ATOM 0 H HIS A 58 2.000 -3.399 -8.251 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.075 -2.597 -10.123 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.361 -4.598 -10.791 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.085 -5.099 -9.276 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -2.397 -5.171 -11.050 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.434 -7.631 -7.600 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -3.753 -6.971 -9.688 1.00 0.00 H new ATOM 903 N ALA A 59 -1.029 -3.261 -7.068 1.00 0.00 N ATOM 904 CA ALA A 59 -2.116 -3.039 -6.150 1.00 0.00 C ATOM 905 C ALA A 59 -1.984 -1.691 -5.473 1.00 0.00 C ATOM 906 O ALA A 59 -2.876 -0.840 -5.596 1.00 0.00 O ATOM 907 CB ALA A 59 -2.091 -4.137 -5.100 1.00 0.00 C ATOM 0 H ALA A 59 -0.332 -3.904 -6.694 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.058 -3.054 -6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.908 -3.985 -4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.205 -5.107 -5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.141 -4.108 -4.566 1.00 0.00 H new ATOM 913 N LEU A 60 -0.865 -1.482 -4.763 1.00 0.00 N ATOM 914 CA LEU A 60 -0.681 -0.222 -4.061 1.00 0.00 C ATOM 915 C LEU A 60 -0.642 0.930 -4.977 1.00 0.00 C ATOM 916 O LEU A 60 -1.373 1.845 -4.789 1.00 0.00 O ATOM 917 CB LEU A 60 0.507 -0.139 -3.124 1.00 0.00 C ATOM 918 CG LEU A 60 0.363 -0.822 -1.784 1.00 0.00 C ATOM 919 CD1 LEU A 60 0.335 -2.327 -1.928 1.00 0.00 C ATOM 920 CD2 LEU A 60 1.455 -0.341 -0.862 1.00 0.00 C ATOM 0 H LEU A 60 -0.101 -2.151 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.569 -0.184 -3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.372 -0.566 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.728 0.914 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.596 -0.554 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.231 -2.785 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.508 -2.617 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.263 -2.666 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.355 -0.831 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.427 -0.582 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.373 0.738 -0.733 1.00 0.00 H new ATOM 932 N LYS A 61 0.154 0.863 -6.004 1.00 0.00 N ATOM 933 CA LYS A 61 0.275 1.977 -6.912 1.00 0.00 C ATOM 934 C LYS A 61 -1.077 2.326 -7.546 1.00 0.00 C ATOM 935 O LYS A 61 -1.322 3.471 -7.876 1.00 0.00 O ATOM 936 CB LYS A 61 1.378 1.713 -7.924 1.00 0.00 C ATOM 937 CG LYS A 61 1.780 2.883 -8.811 1.00 0.00 C ATOM 938 CD LYS A 61 2.151 4.125 -8.002 1.00 0.00 C ATOM 939 CE LYS A 61 3.234 3.871 -6.951 1.00 0.00 C ATOM 940 NZ LYS A 61 3.645 5.127 -6.259 1.00 0.00 N ATOM 0 H LYS A 61 0.729 0.054 -6.237 1.00 0.00 H new ATOM 0 HA LYS A 61 0.572 2.866 -6.356 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.262 1.374 -7.384 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.062 0.891 -8.566 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.627 2.591 -9.432 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.958 3.124 -9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.494 4.903 -8.684 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.258 4.506 -7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.865 3.156 -6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.103 3.418 -7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.932 4.908 -5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.444 5.557 -6.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.846 5.792 -6.244 1.00 0.00 H new ATOM 954 N SER A 62 -1.998 1.377 -7.562 1.00 0.00 N ATOM 955 CA SER A 62 -3.319 1.629 -8.052 1.00 0.00 C ATOM 956 C SER A 62 -4.212 2.275 -6.969 1.00 0.00 C ATOM 957 O SER A 62 -4.754 3.389 -7.142 1.00 0.00 O ATOM 958 CB SER A 62 -3.905 0.334 -8.600 1.00 0.00 C ATOM 959 OG SER A 62 -3.221 -0.064 -9.779 1.00 0.00 O ATOM 0 H SER A 62 -1.842 0.423 -7.236 1.00 0.00 H new ATOM 0 HA SER A 62 -3.272 2.353 -8.866 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.832 -0.452 -7.848 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.965 0.471 -8.816 1.00 0.00 H new ATOM 0 HG SER A 62 -2.612 -0.803 -9.570 1.00 0.00 H new ATOM 965 N SER A 63 -4.291 1.631 -5.824 1.00 0.00 N ATOM 966 CA SER A 63 -5.139 2.019 -4.742 1.00 0.00 C ATOM 967 C SER A 63 -4.602 3.295 -4.139 1.00 0.00 C ATOM 968 O SER A 63 -5.323 4.227 -3.956 1.00 0.00 O ATOM 969 CB SER A 63 -5.128 0.894 -3.695 1.00 0.00 C ATOM 970 OG SER A 63 -6.028 1.143 -2.632 1.00 0.00 O ATOM 0 H SER A 63 -3.743 0.794 -5.625 1.00 0.00 H new ATOM 0 HA SER A 63 -6.159 2.188 -5.087 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.388 -0.049 -4.175 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.120 0.781 -3.296 1.00 0.00 H new ATOM 0 HG SER A 63 -5.990 0.403 -1.991 1.00 0.00 H new ATOM 976 N ALA A 64 -3.300 3.328 -3.944 1.00 0.00 N ATOM 977 CA ALA A 64 -2.635 4.422 -3.251 1.00 0.00 C ATOM 978 C ALA A 64 -2.674 5.677 -4.072 1.00 0.00 C ATOM 979 O ALA A 64 -2.868 6.735 -3.554 1.00 0.00 O ATOM 980 CB ALA A 64 -1.197 4.077 -2.926 1.00 0.00 C ATOM 0 H ALA A 64 -2.666 2.595 -4.262 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.174 4.587 -2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.730 4.915 -2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.170 3.195 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.655 3.872 -3.849 1.00 0.00 H new ATOM 986 N ALA A 65 -2.553 5.549 -5.364 1.00 0.00 N ATOM 987 CA ALA A 65 -2.583 6.691 -6.272 1.00 0.00 C ATOM 988 C ALA A 65 -3.918 7.398 -6.154 1.00 0.00 C ATOM 989 O ALA A 65 -4.036 8.578 -6.471 1.00 0.00 O ATOM 990 CB ALA A 65 -2.379 6.252 -7.708 1.00 0.00 C ATOM 0 H ALA A 65 -2.430 4.651 -5.831 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.773 7.367 -5.996 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.406 7.123 -8.362 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.413 5.757 -7.803 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.171 5.560 -7.993 1.00 0.00 H new ATOM 996 N SER A 66 -4.919 6.655 -5.732 1.00 0.00 N ATOM 997 CA SER A 66 -6.206 7.223 -5.477 1.00 0.00 C ATOM 998 C SER A 66 -6.414 7.483 -3.955 1.00 0.00 C ATOM 999 O SER A 66 -6.713 8.605 -3.554 1.00 0.00 O ATOM 1000 CB SER A 66 -7.284 6.292 -6.062 1.00 0.00 C ATOM 1001 OG SER A 66 -8.553 6.924 -6.162 1.00 0.00 O ATOM 0 H SER A 66 -4.856 5.652 -5.560 1.00 0.00 H new ATOM 0 HA SER A 66 -6.284 8.195 -5.964 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.971 5.955 -7.050 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.372 5.405 -5.435 1.00 0.00 H new ATOM 0 HG SER A 66 -9.096 6.693 -5.379 1.00 0.00 H new ATOM 1007 N PHE A 67 -6.146 6.483 -3.102 1.00 0.00 N ATOM 1008 CA PHE A 67 -6.566 6.528 -1.667 1.00 0.00 C ATOM 1009 C PHE A 67 -5.411 6.715 -0.658 1.00 0.00 C ATOM 1010 O PHE A 67 -5.515 6.428 0.528 1.00 0.00 O ATOM 1011 CB PHE A 67 -7.317 5.252 -1.322 1.00 0.00 C ATOM 1012 CG PHE A 67 -8.702 5.130 -1.853 1.00 0.00 C ATOM 1013 CD1 PHE A 67 -9.093 5.723 -3.037 1.00 0.00 C ATOM 1014 CD2 PHE A 67 -9.629 4.424 -1.123 1.00 0.00 C ATOM 1015 CE1 PHE A 67 -10.379 5.607 -3.481 1.00 0.00 C ATOM 1016 CE2 PHE A 67 -10.908 4.308 -1.557 1.00 0.00 C ATOM 1017 CZ PHE A 67 -11.280 4.897 -2.736 1.00 0.00 C ATOM 0 H PHE A 67 -5.645 5.634 -3.364 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.197 7.412 -1.573 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.736 4.405 -1.688 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.359 5.164 -0.236 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -8.375 6.284 -3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -9.335 3.957 -0.194 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -10.681 6.070 -4.409 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -11.630 3.754 -0.976 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.298 4.800 -3.082 1.00 0.00 H new ATOM 1027 N GLY A 68 -4.368 7.230 -1.142 1.00 0.00 N ATOM 1028 CA GLY A 68 -3.174 7.485 -0.354 1.00 0.00 C ATOM 1029 C GLY A 68 -2.214 8.171 -1.243 1.00 0.00 C ATOM 1030 O GLY A 68 -1.002 8.004 -1.161 1.00 0.00 O ATOM 0 H GLY A 68 -4.282 7.506 -2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.408 8.103 0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.753 6.553 0.023 1.00 0.00 H new ATOM 1034 N ALA A 69 -2.839 9.040 -2.016 1.00 0.00 N ATOM 1035 CA ALA A 69 -2.198 9.832 -3.068 1.00 0.00 C ATOM 1036 C ALA A 69 -1.307 10.925 -2.464 1.00 0.00 C ATOM 1037 O ALA A 69 -1.067 11.965 -3.055 1.00 0.00 O ATOM 1038 CB ALA A 69 -3.294 10.476 -3.901 1.00 0.00 C ATOM 0 H ALA A 69 -3.839 9.225 -1.932 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.570 9.185 -3.681 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.845 11.074 -4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.920 9.700 -4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.905 11.117 -3.265 1.00 0.00 H new ATOM 1044 N ASP A 70 -0.871 10.675 -1.267 1.00 0.00 N ATOM 1045 CA ASP A 70 -0.058 11.540 -0.489 1.00 0.00 C ATOM 1046 C ASP A 70 1.165 10.655 -0.260 1.00 0.00 C ATOM 1047 O ASP A 70 1.631 10.006 -1.241 1.00 0.00 O ATOM 1048 CB ASP A 70 -0.821 11.899 0.788 1.00 0.00 C ATOM 1049 CG ASP A 70 -0.109 12.854 1.723 1.00 0.00 C ATOM 1050 OD1 ASP A 70 0.403 13.894 1.275 1.00 0.00 O ATOM 1051 OD2 ASP A 70 -0.022 12.538 2.921 1.00 0.00 O ATOM 0 H ASP A 70 -1.091 9.805 -0.783 1.00 0.00 H new ATOM 0 HA ASP A 70 0.214 12.500 -0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.779 12.338 0.508 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.039 10.980 1.332 1.00 0.00 H new ATOM 1056 N ARG A 71 1.689 10.507 0.931 1.00 0.00 N ATOM 1057 CA ARG A 71 2.876 9.755 1.249 1.00 0.00 C ATOM 1058 C ARG A 71 2.895 8.320 0.821 1.00 0.00 C ATOM 1059 O ARG A 71 3.686 7.980 -0.016 1.00 0.00 O ATOM 1060 CB ARG A 71 3.160 9.777 2.722 1.00 0.00 C ATOM 1061 CG ARG A 71 3.787 11.030 3.247 1.00 0.00 C ATOM 1062 CD ARG A 71 2.787 12.132 3.469 1.00 0.00 C ATOM 1063 NE ARG A 71 3.361 13.286 4.145 1.00 0.00 N ATOM 1064 CZ ARG A 71 2.632 14.251 4.702 1.00 0.00 C ATOM 1065 NH1 ARG A 71 1.307 14.239 4.574 1.00 0.00 N ATOM 1066 NH2 ARG A 71 3.224 15.232 5.367 1.00 0.00 N ATOM 0 H ARG A 71 1.271 10.936 1.756 1.00 0.00 H new ATOM 0 HA ARG A 71 3.638 10.272 0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.224 9.611 3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.815 8.939 2.959 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.295 10.811 4.186 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.548 11.372 2.546 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.379 12.445 2.508 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.955 11.748 4.059 1.00 0.00 H new ATOM 0 HE ARG A 71 4.377 13.360 4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.852 13.491 4.050 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.747 14.977 5.000 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.240 15.249 5.453 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.664 15.970 5.793 1.00 0.00 H new ATOM 1080 N LEU A 72 2.028 7.484 1.369 1.00 0.00 N ATOM 1081 CA LEU A 72 2.152 6.030 1.170 1.00 0.00 C ATOM 1082 C LEU A 72 2.249 5.657 -0.313 1.00 0.00 C ATOM 1083 O LEU A 72 2.886 4.687 -0.685 1.00 0.00 O ATOM 1084 CB LEU A 72 1.071 5.240 1.952 1.00 0.00 C ATOM 1085 CG LEU A 72 -0.405 5.425 1.579 1.00 0.00 C ATOM 1086 CD1 LEU A 72 -0.762 4.656 0.338 1.00 0.00 C ATOM 1087 CD2 LEU A 72 -1.300 5.015 2.727 1.00 0.00 C ATOM 0 H LEU A 72 1.239 7.771 1.948 1.00 0.00 H new ATOM 0 HA LEU A 72 3.102 5.720 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.304 4.180 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.177 5.494 3.007 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.561 6.484 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.815 4.811 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.151 5.004 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.579 3.594 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.343 5.154 2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.126 3.966 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.077 5.629 3.599 1.00 0.00 H new ATOM 1099 N CYS A 73 1.707 6.538 -1.127 1.00 0.00 N ATOM 1100 CA CYS A 73 1.741 6.260 -2.550 1.00 0.00 C ATOM 1101 C CYS A 73 3.179 6.288 -3.055 1.00 0.00 C ATOM 1102 O CYS A 73 3.725 5.272 -3.506 1.00 0.00 O ATOM 1103 CB CYS A 73 0.876 7.219 -3.380 1.00 0.00 C ATOM 1104 SG CYS A 73 0.918 6.895 -5.169 1.00 0.00 S ATOM 0 H CYS A 73 1.258 7.411 -0.850 1.00 0.00 H new ATOM 0 HA CYS A 73 1.316 5.265 -2.680 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.155 7.153 -3.034 1.00 0.00 H new ATOM 0 HB3 CYS A 73 1.209 8.241 -3.199 1.00 0.00 H new ATOM 0 HG CYS A 73 0.335 7.870 -5.800 1.00 0.00 H new ATOM 1110 N GLU A 74 3.847 7.389 -2.868 1.00 0.00 N ATOM 1111 CA GLU A 74 5.134 7.511 -3.543 1.00 0.00 C ATOM 1112 C GLU A 74 6.276 7.543 -2.566 1.00 0.00 C ATOM 1113 O GLU A 74 7.399 7.067 -2.841 1.00 0.00 O ATOM 1114 CB GLU A 74 5.111 8.718 -4.458 1.00 0.00 C ATOM 1115 CG GLU A 74 6.333 8.851 -5.332 1.00 0.00 C ATOM 1116 CD GLU A 74 6.573 7.610 -6.180 1.00 0.00 C ATOM 1117 OE1 GLU A 74 5.592 6.947 -6.605 1.00 0.00 O ATOM 1118 OE2 GLU A 74 7.745 7.255 -6.404 1.00 0.00 O ATOM 0 H GLU A 74 3.558 8.180 -2.292 1.00 0.00 H new ATOM 0 HA GLU A 74 5.300 6.625 -4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.227 8.662 -5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.011 9.618 -3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.219 9.717 -5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.206 9.036 -4.706 1.00 0.00 H new ATOM 1125 N ARG A 75 5.931 7.995 -1.405 1.00 0.00 N ATOM 1126 CA ARG A 75 6.829 8.149 -0.324 1.00 0.00 C ATOM 1127 C ARG A 75 7.001 6.770 0.290 1.00 0.00 C ATOM 1128 O ARG A 75 7.998 6.492 0.881 1.00 0.00 O ATOM 1129 CB ARG A 75 6.233 9.194 0.645 1.00 0.00 C ATOM 1130 CG ARG A 75 6.842 9.362 2.035 1.00 0.00 C ATOM 1131 CD ARG A 75 6.535 8.193 2.962 1.00 0.00 C ATOM 1132 NE ARG A 75 7.156 8.357 4.280 1.00 0.00 N ATOM 1133 CZ ARG A 75 6.855 7.642 5.375 1.00 0.00 C ATOM 1134 NH1 ARG A 75 5.818 6.809 5.371 1.00 0.00 N ATOM 1135 NH2 ARG A 75 7.555 7.805 6.489 1.00 0.00 N ATOM 0 H ARG A 75 4.976 8.276 -1.182 1.00 0.00 H new ATOM 0 HA ARG A 75 7.813 8.518 -0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.279 10.163 0.149 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.178 8.953 0.777 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.923 9.471 1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.466 10.282 2.482 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.456 8.098 3.080 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.889 7.268 2.507 1.00 0.00 H new ATOM 0 HE ARG A 75 7.876 9.074 4.372 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.246 6.711 4.532 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.595 6.269 6.207 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.324 8.475 6.515 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.325 7.261 7.320 1.00 0.00 H new ATOM 1149 N ALA A 76 6.065 5.864 0.105 1.00 0.00 N ATOM 1150 CA ALA A 76 6.333 4.569 0.642 1.00 0.00 C ATOM 1151 C ALA A 76 7.075 3.842 -0.409 1.00 0.00 C ATOM 1152 O ALA A 76 8.072 3.257 -0.134 1.00 0.00 O ATOM 1153 CB ALA A 76 5.092 3.826 1.082 1.00 0.00 C ATOM 0 H ALA A 76 5.176 5.992 -0.379 1.00 0.00 H new ATOM 0 HA ALA A 76 6.916 4.657 1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.373 2.851 1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.580 4.399 1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.426 3.692 0.229 1.00 0.00 H new ATOM 1159 N ILE A 77 6.565 3.965 -1.622 1.00 0.00 N ATOM 1160 CA ILE A 77 7.260 3.261 -2.698 1.00 0.00 C ATOM 1161 C ILE A 77 8.774 3.540 -2.825 1.00 0.00 C ATOM 1162 O ILE A 77 9.595 2.648 -2.459 1.00 0.00 O ATOM 1163 CB ILE A 77 6.479 3.258 -4.024 1.00 0.00 C ATOM 1164 CG1 ILE A 77 5.110 2.596 -3.788 1.00 0.00 C ATOM 1165 CG2 ILE A 77 7.235 2.530 -5.132 1.00 0.00 C ATOM 1166 CD1 ILE A 77 5.132 1.514 -2.724 1.00 0.00 C ATOM 0 H ILE A 77 5.737 4.501 -1.882 1.00 0.00 H new ATOM 0 HA ILE A 77 7.265 2.221 -2.371 1.00 0.00 H new ATOM 0 HB ILE A 77 6.350 4.289 -4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.390 3.362 -3.500 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.758 2.165 -4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.647 2.553 -6.049 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.193 3.022 -5.303 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.406 1.495 -4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.133 1.093 -2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.826 0.727 -3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.453 1.943 -1.775 1.00 0.00 H new ATOM 1178 N ALA A 78 9.186 4.697 -3.375 1.00 0.00 N ATOM 1179 CA ALA A 78 10.620 5.042 -3.358 1.00 0.00 C ATOM 1180 C ALA A 78 11.312 4.858 -2.036 1.00 0.00 C ATOM 1181 O ALA A 78 12.459 4.336 -1.961 1.00 0.00 O ATOM 1182 CB ALA A 78 10.795 6.483 -3.806 1.00 0.00 C ATOM 0 H ALA A 78 8.576 5.384 -3.819 1.00 0.00 H new ATOM 0 HA ALA A 78 11.093 4.336 -4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.854 6.742 -3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.404 6.600 -4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.253 7.143 -3.129 1.00 0.00 H new ATOM 1188 N ILE A 79 10.602 5.197 -0.996 1.00 0.00 N ATOM 1189 CA ILE A 79 11.225 5.350 0.251 1.00 0.00 C ATOM 1190 C ILE A 79 11.142 4.082 1.085 1.00 0.00 C ATOM 1191 O ILE A 79 11.768 3.993 2.170 1.00 0.00 O ATOM 1192 CB ILE A 79 10.683 6.603 0.929 1.00 0.00 C ATOM 1193 CG1 ILE A 79 10.708 7.752 -0.097 1.00 0.00 C ATOM 1194 CG2 ILE A 79 11.454 6.971 2.168 1.00 0.00 C ATOM 1195 CD1 ILE A 79 10.338 9.118 0.438 1.00 0.00 C ATOM 0 H ILE A 79 9.596 5.368 -1.005 1.00 0.00 H new ATOM 0 HA ILE A 79 12.296 5.502 0.120 1.00 0.00 H new ATOM 0 HB ILE A 79 9.663 6.409 1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 79 11.708 7.809 -0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 79 10.026 7.503 -0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.025 7.870 2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.401 6.153 2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.496 7.157 1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 79 10.389 9.850 -0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 79 9.325 9.089 0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.034 9.400 1.228 1.00 0.00 H new ATOM 1207 N ASP A 80 10.741 2.989 0.430 1.00 0.00 N ATOM 1208 CA ASP A 80 10.656 1.680 0.989 1.00 0.00 C ATOM 1209 C ASP A 80 11.926 1.086 0.785 1.00 0.00 C ATOM 1210 O ASP A 80 12.755 1.084 1.719 1.00 0.00 O ATOM 1211 CB ASP A 80 9.553 0.803 0.329 1.00 0.00 C ATOM 1212 CG ASP A 80 9.462 -0.611 0.900 1.00 0.00 C ATOM 1213 OD1 ASP A 80 10.222 -1.488 0.452 1.00 0.00 O ATOM 1214 OD2 ASP A 80 8.629 -0.850 1.817 1.00 0.00 O ATOM 0 H ASP A 80 10.458 3.018 -0.550 1.00 0.00 H new ATOM 0 HA ASP A 80 10.385 1.751 2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.589 1.296 0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.745 0.740 -0.742 1.00 0.00 H new ATOM 1219 N LYS A 81 12.118 0.799 -0.501 1.00 0.00 N ATOM 1220 CA LYS A 81 13.280 0.147 -1.002 1.00 0.00 C ATOM 1221 C LYS A 81 14.476 0.707 -0.351 1.00 0.00 C ATOM 1222 O LYS A 81 15.013 0.067 0.581 1.00 0.00 O ATOM 1223 CB LYS A 81 13.299 0.171 -2.541 1.00 0.00 C ATOM 1224 CG LYS A 81 12.730 1.452 -3.167 1.00 0.00 C ATOM 1225 CD LYS A 81 12.713 1.365 -4.680 1.00 0.00 C ATOM 1226 CE LYS A 81 12.029 2.560 -5.312 1.00 0.00 C ATOM 1227 NZ LYS A 81 12.026 2.484 -6.793 1.00 0.00 N ATOM 0 H LYS A 81 11.438 1.029 -1.226 1.00 0.00 H new ATOM 0 HA LYS A 81 13.270 -0.913 -0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.327 0.042 -2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.731 -0.682 -2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.718 1.621 -2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.329 2.308 -2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.736 1.296 -5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.201 0.452 -4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.002 2.622 -4.951 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.533 3.474 -4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.548 3.322 -7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.006 2.451 -7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.522 1.626 -7.096 1.00 0.00 H new ATOM 1241 N LYS A 82 14.833 1.891 -0.808 1.00 0.00 N ATOM 1242 CA LYS A 82 15.789 2.763 -0.220 1.00 0.00 C ATOM 1243 C LYS A 82 16.184 2.411 1.225 1.00 0.00 C ATOM 1244 O LYS A 82 17.135 1.609 1.455 1.00 0.00 O ATOM 1245 CB LYS A 82 15.192 4.140 -0.349 1.00 0.00 C ATOM 1246 CG LYS A 82 15.796 5.168 0.512 1.00 0.00 C ATOM 1247 CD LYS A 82 14.690 6.048 0.981 1.00 0.00 C ATOM 1248 CE LYS A 82 15.146 6.961 2.079 1.00 0.00 C ATOM 1249 NZ LYS A 82 16.155 7.943 1.625 1.00 0.00 N ATOM 0 H LYS A 82 14.426 2.281 -1.658 1.00 0.00 H new ATOM 0 HA LYS A 82 16.745 2.678 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.280 4.461 -1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.127 4.080 -0.123 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.309 4.710 1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.540 5.744 -0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.315 6.640 0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.861 5.436 1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.285 7.492 2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.564 6.366 2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.435 8.548 2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.990 7.440 1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.751 8.532 0.869 1.00 0.00 H new ATOM 1263 N ALA A 83 15.371 2.654 2.206 1.00 0.00 N ATOM 1264 CA ALA A 83 15.967 2.573 3.491 1.00 0.00 C ATOM 1265 C ALA A 83 15.105 1.905 4.411 1.00 0.00 C ATOM 1266 O ALA A 83 15.580 1.149 5.172 1.00 0.00 O ATOM 1267 CB ALA A 83 16.356 3.943 4.028 1.00 0.00 C ATOM 0 H ALA A 83 14.380 2.890 2.153 1.00 0.00 H new ATOM 0 HA ALA A 83 16.882 1.991 3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.808 3.832 5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.071 4.410 3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.467 4.569 4.105 1.00 0.00 H new ATOM 1273 N LYS A 84 13.853 2.283 4.370 1.00 0.00 N ATOM 1274 CA LYS A 84 13.027 1.584 5.332 1.00 0.00 C ATOM 1275 C LYS A 84 13.123 0.058 5.100 1.00 0.00 C ATOM 1276 O LYS A 84 13.017 -0.695 6.054 1.00 0.00 O ATOM 1277 CB LYS A 84 11.582 2.108 5.461 1.00 0.00 C ATOM 1278 CG LYS A 84 10.746 1.921 4.234 1.00 0.00 C ATOM 1279 CD LYS A 84 10.259 0.483 4.053 1.00 0.00 C ATOM 1280 CE LYS A 84 9.026 0.130 4.856 1.00 0.00 C ATOM 1281 NZ LYS A 84 8.473 -1.171 4.387 1.00 0.00 N ATOM 0 H LYS A 84 13.418 2.980 3.766 1.00 0.00 H new ATOM 0 HA LYS A 84 13.437 1.805 6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.098 1.602 6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.614 3.170 5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.884 2.586 4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.325 2.215 3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.049 0.315 2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.064 -0.197 4.330 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.276 0.069 5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.276 0.914 4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.689 -1.458 5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.125 -1.069 3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.219 -1.895 4.414 1.00 0.00 H new ATOM 1295 N ALA A 85 13.391 -0.410 3.848 1.00 0.00 N ATOM 1296 CA ALA A 85 13.537 -1.822 3.620 1.00 0.00 C ATOM 1297 C ALA A 85 14.938 -2.290 3.964 1.00 0.00 C ATOM 1298 O ALA A 85 15.093 -3.394 4.560 1.00 0.00 O ATOM 1299 CB ALA A 85 13.257 -2.140 2.168 1.00 0.00 C ATOM 0 H ALA A 85 13.503 0.176 3.021 1.00 0.00 H new ATOM 0 HA ALA A 85 12.825 -2.340 4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.369 -3.211 2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.239 -1.839 1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.960 -1.599 1.535 1.00 0.00 H new ATOM 1305 N ASN A 86 15.980 -1.455 3.704 1.00 0.00 N ATOM 1306 CA ASN A 86 17.310 -1.895 4.143 1.00 0.00 C ATOM 1307 C ASN A 86 17.447 -1.798 5.658 1.00 0.00 C ATOM 1308 O ASN A 86 18.254 -2.485 6.265 1.00 0.00 O ATOM 1309 CB ASN A 86 18.388 -1.054 3.499 1.00 0.00 C ATOM 1310 CG ASN A 86 19.792 -1.653 3.630 1.00 0.00 C ATOM 1311 OD1 ASN A 86 19.910 -2.975 3.556 1.00 0.00 O flip ATOM 1312 ND2 ASN A 86 20.772 -0.931 3.735 1.00 0.00 N flip ATOM 0 H ASN A 86 15.929 -0.552 3.233 1.00 0.00 H new ATOM 0 HA ASN A 86 17.426 -2.935 3.839 1.00 0.00 H new ATOM 0 HB2 ASN A 86 18.154 -0.925 2.442 1.00 0.00 H new ATOM 0 HB3 ASN A 86 18.382 -0.062 3.950 1.00 0.00 H new ATOM 0 HD21 ASN A 86 20.656 0.081 3.790 1.00 0.00 H new ATOM 0 HD22 ASN A 86 21.706 -1.340 3.768 1.00 0.00 H new ATOM 1319 N GLN A 87 16.593 -0.996 6.248 1.00 0.00 N ATOM 1320 CA GLN A 87 16.608 -0.696 7.660 1.00 0.00 C ATOM 1321 C GLN A 87 16.075 -1.861 8.405 1.00 0.00 C ATOM 1322 O GLN A 87 16.597 -2.206 9.455 1.00 0.00 O ATOM 1323 CB GLN A 87 15.683 0.511 7.899 1.00 0.00 C ATOM 1324 CG GLN A 87 15.778 1.270 9.210 1.00 0.00 C ATOM 1325 CD GLN A 87 14.798 0.859 10.330 1.00 0.00 C ATOM 1326 OE1 GLN A 87 14.452 -0.399 10.451 1.00 0.00 O flip ATOM 1327 NE2 GLN A 87 14.378 1.702 11.122 1.00 0.00 N flip ATOM 0 H GLN A 87 15.846 -0.520 5.743 1.00 0.00 H new ATOM 0 HA GLN A 87 17.622 -0.477 7.994 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.860 1.224 7.094 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.656 0.162 7.796 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.793 1.162 9.592 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.628 2.329 9.000 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.653 2.679 11.020 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.755 1.424 11.880 1.00 0.00 H new ATOM 1336 N LEU A 88 15.001 -2.455 7.916 1.00 0.00 N ATOM 1337 CA LEU A 88 14.284 -3.557 8.501 1.00 0.00 C ATOM 1338 C LEU A 88 15.180 -4.749 8.745 1.00 0.00 C ATOM 1339 O LEU A 88 15.561 -5.049 9.884 1.00 0.00 O ATOM 1340 CB LEU A 88 13.125 -3.964 7.553 1.00 0.00 C ATOM 1341 CG LEU A 88 11.945 -3.001 7.450 1.00 0.00 C ATOM 1342 CD1 LEU A 88 10.892 -3.548 6.502 1.00 0.00 C ATOM 1343 CD2 LEU A 88 11.343 -2.710 8.815 1.00 0.00 C ATOM 0 H LEU A 88 14.583 -2.152 7.036 1.00 0.00 H new ATOM 0 HA LEU A 88 13.895 -3.235 9.467 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.537 -4.103 6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 88 12.745 -4.932 7.879 1.00 0.00 H new ATOM 0 HG LEU A 88 12.318 -2.059 7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.058 -2.848 6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.328 -3.680 5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.533 -4.508 6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.506 -2.021 8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.991 -3.639 9.263 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.100 -2.261 9.458 1.00 0.00 H new ATOM 1355 N GLN A 89 15.498 -5.440 7.679 1.00 0.00 N ATOM 1356 CA GLN A 89 16.225 -6.691 7.692 1.00 0.00 C ATOM 1357 C GLN A 89 17.682 -6.414 7.877 1.00 0.00 C ATOM 1358 O GLN A 89 18.222 -5.509 7.239 1.00 0.00 O ATOM 1359 CB GLN A 89 16.049 -7.351 6.341 1.00 0.00 C ATOM 1360 CG GLN A 89 14.686 -7.084 5.771 1.00 0.00 C ATOM 1361 CD GLN A 89 14.477 -7.680 4.426 1.00 0.00 C ATOM 1362 OE1 GLN A 89 14.981 -8.737 4.093 1.00 0.00 O ATOM 1363 NE2 GLN A 89 13.800 -6.945 3.619 1.00 0.00 N ATOM 0 H GLN A 89 15.248 -5.136 6.738 1.00 0.00 H new ATOM 0 HA GLN A 89 15.856 -7.327 8.497 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.810 -6.983 5.653 1.00 0.00 H new ATOM 0 HB3 GLN A 89 16.200 -8.426 6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.932 -7.476 6.454 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.531 -6.007 5.710 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.397 -6.067 3.945 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.666 -7.240 2.652 1.00 0.00 H new ATOM 1372 N GLU A 90 18.342 -7.233 8.664 1.00 0.00 N ATOM 1373 CA GLU A 90 19.753 -7.009 8.904 1.00 0.00 C ATOM 1374 C GLU A 90 20.490 -7.749 7.785 1.00 0.00 C ATOM 1375 O GLU A 90 21.695 -7.625 7.605 1.00 0.00 O ATOM 1376 CB GLU A 90 20.158 -7.626 10.245 1.00 0.00 C ATOM 1377 CG GLU A 90 19.241 -7.268 11.400 1.00 0.00 C ATOM 1378 CD GLU A 90 19.641 -7.948 12.683 1.00 0.00 C ATOM 1379 OE1 GLU A 90 19.471 -9.171 12.799 1.00 0.00 O ATOM 1380 OE2 GLU A 90 20.089 -7.260 13.617 1.00 0.00 O ATOM 0 H GLU A 90 17.940 -8.041 9.139 1.00 0.00 H new ATOM 0 HA GLU A 90 19.986 -5.944 8.925 1.00 0.00 H new ATOM 0 HB2 GLU A 90 20.184 -8.711 10.140 1.00 0.00 H new ATOM 0 HB3 GLU A 90 21.171 -7.305 10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 90 19.250 -6.188 11.546 1.00 0.00 H new ATOM 0 HG3 GLU A 90 18.218 -7.547 11.148 1.00 0.00 H new ATOM 1387 N GLN A 91 19.701 -8.539 7.043 1.00 0.00 N ATOM 1388 CA GLN A 91 20.201 -9.381 5.977 1.00 0.00 C ATOM 1389 C GLN A 91 20.309 -8.579 4.691 1.00 0.00 C ATOM 1390 O GLN A 91 20.713 -9.099 3.655 1.00 0.00 O ATOM 1391 CB GLN A 91 19.247 -10.563 5.772 1.00 0.00 C ATOM 1392 CG GLN A 91 18.944 -11.359 7.037 1.00 0.00 C ATOM 1393 CD GLN A 91 20.167 -12.013 7.642 1.00 0.00 C ATOM 1394 OE1 GLN A 91 20.497 -13.155 7.330 1.00 0.00 O ATOM 1395 NE2 GLN A 91 20.859 -11.297 8.495 1.00 0.00 N ATOM 0 H GLN A 91 18.692 -8.603 7.177 1.00 0.00 H new ATOM 0 HA GLN A 91 21.189 -9.754 6.246 1.00 0.00 H new ATOM 0 HB2 GLN A 91 18.310 -10.189 5.360 1.00 0.00 H new ATOM 0 HB3 GLN A 91 19.676 -11.235 5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 91 18.493 -10.696 7.775 1.00 0.00 H new ATOM 0 HG3 GLN A 91 18.207 -12.128 6.806 1.00 0.00 H new ATOM 0 HE21 GLN A 91 20.556 -10.352 8.731 1.00 0.00 H new ATOM 0 HE22 GLN A 91 21.700 -11.685 8.922 1.00 0.00 H new ATOM 1404 N GLY A 92 19.934 -7.309 4.754 1.00 0.00 N ATOM 1405 CA GLY A 92 20.041 -6.470 3.598 1.00 0.00 C ATOM 1406 C GLY A 92 18.944 -6.674 2.579 1.00 0.00 C ATOM 1407 O GLY A 92 19.232 -7.107 1.465 1.00 0.00 O ATOM 0 H GLY A 92 19.560 -6.854 5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 92 20.035 -5.428 3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 92 21.004 -6.651 3.120 1.00 0.00 H new ATOM 1411 N MET A 93 17.690 -6.322 2.958 1.00 0.00 N ATOM 1412 CA MET A 93 16.488 -6.277 2.084 1.00 0.00 C ATOM 1413 C MET A 93 16.378 -7.422 1.067 1.00 0.00 C ATOM 1414 O MET A 93 16.924 -7.343 -0.039 1.00 0.00 O ATOM 1415 CB MET A 93 16.231 -4.890 1.472 1.00 0.00 C ATOM 1416 CG MET A 93 17.326 -4.374 0.557 1.00 0.00 C ATOM 1417 SD MET A 93 16.960 -2.756 -0.125 1.00 0.00 S ATOM 1418 CE MET A 93 18.385 -2.541 -1.182 1.00 0.00 C ATOM 0 H MET A 93 17.479 -6.051 3.918 1.00 0.00 H new ATOM 0 HA MET A 93 15.661 -6.460 2.770 1.00 0.00 H new ATOM 0 HB2 MET A 93 15.297 -4.926 0.911 1.00 0.00 H new ATOM 0 HB3 MET A 93 16.089 -4.174 2.282 1.00 0.00 H new ATOM 0 HG2 MET A 93 18.263 -4.326 1.112 1.00 0.00 H new ATOM 0 HG3 MET A 93 17.474 -5.082 -0.259 1.00 0.00 H new ATOM 0 HE1 MET A 93 18.320 -1.578 -1.688 1.00 0.00 H new ATOM 0 HE2 MET A 93 19.293 -2.574 -0.580 1.00 0.00 H new ATOM 0 HE3 MET A 93 18.412 -3.340 -1.923 1.00 0.00 H new ATOM 1428 N GLU A 94 15.660 -8.484 1.435 1.00 0.00 N ATOM 1429 CA GLU A 94 15.611 -9.648 0.590 1.00 0.00 C ATOM 1430 C GLU A 94 14.346 -10.509 0.830 1.00 0.00 C ATOM 1431 O GLU A 94 14.269 -11.651 0.329 1.00 0.00 O ATOM 1432 CB GLU A 94 16.891 -10.467 0.844 1.00 0.00 C ATOM 1433 CG GLU A 94 16.888 -11.308 2.113 1.00 0.00 C ATOM 1434 CD GLU A 94 18.058 -12.254 2.157 1.00 0.00 C ATOM 1435 OE1 GLU A 94 18.135 -13.166 1.295 1.00 0.00 O ATOM 1436 OE2 GLU A 94 18.894 -12.157 3.056 1.00 0.00 O ATOM 0 H GLU A 94 15.119 -8.550 2.297 1.00 0.00 H new ATOM 0 HA GLU A 94 15.556 -9.328 -0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 94 17.055 -11.127 -0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 94 17.738 -9.782 0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 94 16.917 -10.653 2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.959 -11.875 2.171 1.00 0.00 H new ATOM 1443 N THR A 95 13.339 -9.959 1.538 1.00 0.00 N ATOM 1444 CA THR A 95 12.121 -10.714 1.900 1.00 0.00 C ATOM 1445 C THR A 95 11.209 -9.967 2.884 1.00 0.00 C ATOM 1446 O THR A 95 10.049 -9.695 2.590 1.00 0.00 O ATOM 1447 CB THR A 95 12.403 -12.159 2.461 1.00 0.00 C ATOM 1448 OG1 THR A 95 11.187 -12.794 2.904 1.00 0.00 O ATOM 1449 CG2 THR A 95 13.425 -12.181 3.601 1.00 0.00 C ATOM 0 H THR A 95 13.345 -8.995 1.871 1.00 0.00 H new ATOM 0 HA THR A 95 11.602 -10.816 0.947 1.00 0.00 H new ATOM 0 HB THR A 95 12.829 -12.714 1.625 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.764 -13.254 2.149 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.571 -13.207 3.939 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.374 -11.777 3.247 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.059 -11.575 4.430 1.00 0.00 H new ATOM 1457 N SER A 96 11.734 -9.575 4.020 1.00 0.00 N ATOM 1458 CA SER A 96 10.892 -9.114 5.102 1.00 0.00 C ATOM 1459 C SER A 96 10.411 -7.683 4.924 1.00 0.00 C ATOM 1460 O SER A 96 9.674 -7.167 5.754 1.00 0.00 O ATOM 1461 CB SER A 96 11.650 -9.253 6.393 1.00 0.00 C ATOM 1462 OG SER A 96 12.273 -10.526 6.458 1.00 0.00 O ATOM 0 H SER A 96 12.734 -9.565 4.220 1.00 0.00 H new ATOM 0 HA SER A 96 9.994 -9.732 5.110 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.402 -8.467 6.469 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.972 -9.128 7.237 1.00 0.00 H new ATOM 0 HG SER A 96 12.766 -10.606 7.301 1.00 0.00 H new ATOM 1468 N GLU A 97 10.794 -7.049 3.846 1.00 0.00 N ATOM 1469 CA GLU A 97 10.361 -5.703 3.614 1.00 0.00 C ATOM 1470 C GLU A 97 9.052 -5.775 2.891 1.00 0.00 C ATOM 1471 O GLU A 97 8.121 -5.048 3.187 1.00 0.00 O ATOM 1472 CB GLU A 97 11.406 -4.894 2.818 1.00 0.00 C ATOM 1473 CG GLU A 97 11.608 -5.244 1.329 1.00 0.00 C ATOM 1474 CD GLU A 97 12.162 -6.625 1.113 1.00 0.00 C ATOM 1475 OE1 GLU A 97 11.405 -7.583 1.136 1.00 0.00 O ATOM 1476 OE2 GLU A 97 13.377 -6.788 1.006 1.00 0.00 O ATOM 0 H GLU A 97 11.399 -7.441 3.124 1.00 0.00 H new ATOM 0 HA GLU A 97 10.242 -5.178 4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 97 11.132 -3.841 2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 97 12.367 -5.003 3.321 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.654 -5.158 0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.282 -4.515 0.880 1.00 0.00 H new ATOM 1483 N MET A 98 9.009 -6.705 1.980 1.00 0.00 N ATOM 1484 CA MET A 98 7.893 -6.994 1.146 1.00 0.00 C ATOM 1485 C MET A 98 6.778 -7.637 1.995 1.00 0.00 C ATOM 1486 O MET A 98 5.639 -7.258 1.878 1.00 0.00 O ATOM 1487 CB MET A 98 8.394 -7.858 -0.040 1.00 0.00 C ATOM 1488 CG MET A 98 8.285 -9.354 0.116 1.00 0.00 C ATOM 1489 SD MET A 98 6.624 -9.905 -0.337 1.00 0.00 S ATOM 1490 CE MET A 98 6.618 -11.614 0.134 1.00 0.00 C ATOM 0 H MET A 98 9.805 -7.315 1.794 1.00 0.00 H new ATOM 0 HA MET A 98 7.447 -6.098 0.714 1.00 0.00 H new ATOM 0 HB2 MET A 98 7.837 -7.568 -0.931 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.440 -7.611 -0.223 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.025 -9.848 -0.513 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.502 -9.637 1.146 1.00 0.00 H new ATOM 0 HE1 MET A 98 6.205 -12.214 -0.677 1.00 0.00 H new ATOM 0 HE2 MET A 98 7.638 -11.938 0.341 1.00 0.00 H new ATOM 0 HE3 MET A 98 6.008 -11.743 1.028 1.00 0.00 H new ATOM 1500 N LEU A 99 7.122 -8.579 2.909 1.00 0.00 N ATOM 1501 CA LEU A 99 6.089 -9.115 3.828 1.00 0.00 C ATOM 1502 C LEU A 99 5.561 -8.014 4.734 1.00 0.00 C ATOM 1503 O LEU A 99 4.402 -8.026 5.160 1.00 0.00 O ATOM 1504 CB LEU A 99 6.561 -10.292 4.709 1.00 0.00 C ATOM 1505 CG LEU A 99 6.725 -11.670 4.057 1.00 0.00 C ATOM 1506 CD1 LEU A 99 7.931 -11.722 3.162 1.00 0.00 C ATOM 1507 CD2 LEU A 99 6.805 -12.749 5.117 1.00 0.00 C ATOM 0 H LEU A 99 8.058 -8.967 3.027 1.00 0.00 H new ATOM 0 HA LEU A 99 5.306 -9.501 3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.520 -10.015 5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.853 -10.396 5.532 1.00 0.00 H new ATOM 0 HG LEU A 99 5.847 -11.848 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.013 -12.714 2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.830 -10.979 2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.827 -11.511 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.921 -13.721 4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.660 -12.559 5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.891 -12.744 5.711 1.00 0.00 H new ATOM 1519 N ALA A 100 6.432 -7.056 5.023 1.00 0.00 N ATOM 1520 CA ALA A 100 6.068 -5.907 5.820 1.00 0.00 C ATOM 1521 C ALA A 100 4.960 -5.115 5.147 1.00 0.00 C ATOM 1522 O ALA A 100 4.169 -4.475 5.819 1.00 0.00 O ATOM 1523 CB ALA A 100 7.273 -5.023 6.116 1.00 0.00 C ATOM 0 H ALA A 100 7.403 -7.059 4.711 1.00 0.00 H new ATOM 0 HA ALA A 100 5.694 -6.273 6.776 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.959 -4.170 6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.020 -5.598 6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.703 -4.668 5.179 1.00 0.00 H new ATOM 1529 N LEU A 101 4.892 -5.178 3.817 1.00 0.00 N ATOM 1530 CA LEU A 101 3.823 -4.542 3.052 1.00 0.00 C ATOM 1531 C LEU A 101 2.478 -5.045 3.445 1.00 0.00 C ATOM 1532 O LEU A 101 1.531 -4.289 3.442 1.00 0.00 O ATOM 1533 CB LEU A 101 3.956 -4.694 1.555 1.00 0.00 C ATOM 1534 CG LEU A 101 4.820 -3.664 0.796 1.00 0.00 C ATOM 1535 CD1 LEU A 101 4.119 -2.319 0.763 1.00 0.00 C ATOM 1536 CD2 LEU A 101 6.184 -3.482 1.429 1.00 0.00 C ATOM 0 H LEU A 101 5.576 -5.671 3.242 1.00 0.00 H new ATOM 0 HA LEU A 101 3.924 -3.485 3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.364 -5.685 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.954 -4.670 1.127 1.00 0.00 H new ATOM 0 HG LEU A 101 4.958 -4.050 -0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.737 -1.600 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.159 -2.422 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.957 -1.968 1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.754 -2.748 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.065 -3.133 2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.715 -4.434 1.429 1.00 0.00 H new ATOM 1548 N LEU A 102 2.372 -6.286 3.831 1.00 0.00 N ATOM 1549 CA LEU A 102 1.103 -6.800 4.205 1.00 0.00 C ATOM 1550 C LEU A 102 0.651 -6.246 5.551 1.00 0.00 C ATOM 1551 O LEU A 102 -0.474 -5.784 5.680 1.00 0.00 O ATOM 1552 CB LEU A 102 1.060 -8.307 4.193 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.282 -8.877 4.597 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -1.339 -8.572 3.540 1.00 0.00 C ATOM 1555 CD2 LEU A 102 -0.186 -10.354 4.877 1.00 0.00 C ATOM 0 H LEU A 102 3.146 -6.947 3.892 1.00 0.00 H new ATOM 0 HA LEU A 102 0.398 -6.460 3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.310 -8.661 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.826 -8.690 4.868 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.591 -8.393 5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.296 -8.991 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.436 -7.493 3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.041 -9.014 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -1.166 -10.734 5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.156 -10.873 3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.522 -10.525 5.688 1.00 0.00 H new ATOM 1567 N HIS A 103 1.514 -6.314 6.556 1.00 0.00 N ATOM 1568 CA HIS A 103 1.097 -5.731 7.855 1.00 0.00 C ATOM 1569 C HIS A 103 0.827 -4.209 7.743 1.00 0.00 C ATOM 1570 O HIS A 103 0.175 -3.611 8.590 1.00 0.00 O ATOM 1571 CB HIS A 103 2.023 -6.061 9.056 1.00 0.00 C ATOM 1572 CG HIS A 103 3.430 -5.528 9.000 1.00 0.00 C ATOM 1573 ND1 HIS A 103 3.694 -4.181 8.878 1.00 0.00 N ATOM 1574 CD2 HIS A 103 4.597 -6.203 9.053 1.00 0.00 C ATOM 1575 CE1 HIS A 103 5.005 -4.075 8.846 1.00 0.00 C ATOM 1576 NE2 HIS A 103 5.596 -5.267 8.960 1.00 0.00 N ATOM 0 H HIS A 103 2.444 -6.731 6.523 1.00 0.00 H new ATOM 0 HA HIS A 103 0.158 -6.233 8.087 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.552 -5.680 9.962 1.00 0.00 H new ATOM 0 HB3 HIS A 103 2.075 -7.145 9.156 1.00 0.00 H new ATOM 0 HD2 HIS A 103 4.721 -7.272 9.150 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.537 -3.141 8.741 1.00 0.00 H new ATOM 0 HE2 HIS A 103 6.600 -5.448 8.975 1.00 0.00 H new ATOM 1584 N ILE A 104 1.317 -3.592 6.685 1.00 0.00 N ATOM 1585 CA ILE A 104 1.012 -2.176 6.488 1.00 0.00 C ATOM 1586 C ILE A 104 -0.266 -2.008 5.636 1.00 0.00 C ATOM 1587 O ILE A 104 -1.162 -1.264 5.996 1.00 0.00 O ATOM 1588 CB ILE A 104 2.255 -1.316 5.995 1.00 0.00 C ATOM 1589 CG1 ILE A 104 1.941 0.175 5.727 1.00 0.00 C ATOM 1590 CG2 ILE A 104 2.926 -1.915 4.789 1.00 0.00 C ATOM 1591 CD1 ILE A 104 1.342 0.454 4.352 1.00 0.00 C ATOM 0 H ILE A 104 1.905 -4.022 5.971 1.00 0.00 H new ATOM 0 HA ILE A 104 0.792 -1.747 7.466 1.00 0.00 H new ATOM 0 HB ILE A 104 2.941 -1.347 6.841 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.250 0.531 6.491 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.859 0.752 5.834 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.768 -1.289 4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.285 -2.915 5.032 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.212 -1.975 3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.153 1.522 4.248 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.040 0.132 3.579 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.405 -0.093 4.246 1.00 0.00 H new ATOM 1603 N THR A 105 -0.385 -2.777 4.587 1.00 0.00 N ATOM 1604 CA THR A 105 -1.537 -2.654 3.706 1.00 0.00 C ATOM 1605 C THR A 105 -2.781 -3.294 4.342 1.00 0.00 C ATOM 1606 O THR A 105 -3.905 -2.912 4.057 1.00 0.00 O ATOM 1607 CB THR A 105 -1.241 -3.264 2.302 1.00 0.00 C ATOM 1608 OG1 THR A 105 -2.152 -2.757 1.318 1.00 0.00 O ATOM 1609 CG2 THR A 105 -1.362 -4.772 2.328 1.00 0.00 C ATOM 0 H THR A 105 0.290 -3.492 4.315 1.00 0.00 H new ATOM 0 HA THR A 105 -1.741 -1.593 3.565 1.00 0.00 H new ATOM 0 HB THR A 105 -0.221 -2.980 2.041 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.945 -3.153 0.446 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.150 -5.171 1.336 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.649 -5.182 3.044 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.374 -5.051 2.623 1.00 0.00 H new ATOM 1617 N ARG A 106 -2.588 -4.292 5.179 1.00 0.00 N ATOM 1618 CA ARG A 106 -3.716 -4.888 5.825 1.00 0.00 C ATOM 1619 C ARG A 106 -3.925 -4.337 7.225 1.00 0.00 C ATOM 1620 O ARG A 106 -5.011 -3.937 7.531 1.00 0.00 O ATOM 1621 CB ARG A 106 -3.656 -6.420 5.784 1.00 0.00 C ATOM 1622 CG ARG A 106 -4.837 -7.111 6.443 1.00 0.00 C ATOM 1623 CD ARG A 106 -4.783 -8.624 6.249 1.00 0.00 C ATOM 1624 NE ARG A 106 -5.074 -9.021 4.859 1.00 0.00 N ATOM 1625 CZ ARG A 106 -4.510 -10.046 4.196 1.00 0.00 C ATOM 1626 NH1 ARG A 106 -3.616 -10.831 4.777 1.00 0.00 N ATOM 1627 NH2 ARG A 106 -4.871 -10.302 2.951 1.00 0.00 N ATOM 0 H ARG A 106 -1.681 -4.693 5.418 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.602 -4.606 5.256 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.596 -6.742 4.744 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.739 -6.749 6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.846 -6.880 7.508 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -5.766 -6.723 6.025 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -3.795 -8.989 6.529 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -5.500 -9.100 6.918 1.00 0.00 H new ATOM 0 HE ARG A 106 -5.766 -8.468 4.354 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.343 -10.664 5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.200 -11.603 4.256 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.576 -9.723 2.495 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.445 -11.079 2.446 1.00 0.00 H new ATOM 1641 N ASP A 107 -2.890 -4.198 8.040 1.00 0.00 N ATOM 1642 CA ASP A 107 -3.104 -3.722 9.422 1.00 0.00 C ATOM 1643 C ASP A 107 -3.212 -2.221 9.548 1.00 0.00 C ATOM 1644 O ASP A 107 -4.154 -1.704 10.174 1.00 0.00 O ATOM 1645 CB ASP A 107 -2.079 -4.273 10.419 1.00 0.00 C ATOM 1646 CG ASP A 107 -2.404 -5.656 10.918 1.00 0.00 C ATOM 1647 OD1 ASP A 107 -2.167 -6.651 10.196 1.00 0.00 O ATOM 1648 OD2 ASP A 107 -2.876 -5.775 12.066 1.00 0.00 O ATOM 0 H ASP A 107 -1.921 -4.397 7.792 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.079 -4.132 9.687 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.097 -4.288 9.946 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.012 -3.595 11.270 1.00 0.00 H new ATOM 1653 N ALA A 108 -2.285 -1.504 8.934 1.00 0.00 N ATOM 1654 CA ALA A 108 -2.286 -0.053 9.023 1.00 0.00 C ATOM 1655 C ALA A 108 -3.571 0.488 8.437 1.00 0.00 C ATOM 1656 O ALA A 108 -4.242 1.283 9.055 1.00 0.00 O ATOM 1657 CB ALA A 108 -1.096 0.536 8.302 1.00 0.00 C ATOM 0 H ALA A 108 -1.529 -1.898 8.374 1.00 0.00 H new ATOM 0 HA ALA A 108 -2.216 0.231 10.073 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -1.122 1.623 8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.176 0.160 8.750 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.130 0.251 7.250 1.00 0.00 H new ATOM 1663 N TYR A 109 -3.957 -0.092 7.318 1.00 0.00 N ATOM 1664 CA TYR A 109 -5.174 0.277 6.581 1.00 0.00 C ATOM 1665 C TYR A 109 -6.421 -0.030 7.413 1.00 0.00 C ATOM 1666 O TYR A 109 -7.380 0.708 7.407 1.00 0.00 O ATOM 1667 CB TYR A 109 -5.212 -0.452 5.223 1.00 0.00 C ATOM 1668 CG TYR A 109 -4.306 0.128 4.146 1.00 0.00 C ATOM 1669 CD1 TYR A 109 -3.025 0.557 4.432 1.00 0.00 C ATOM 1670 CD2 TYR A 109 -4.736 0.210 2.830 1.00 0.00 C ATOM 1671 CE1 TYR A 109 -2.200 1.060 3.451 1.00 0.00 C ATOM 1672 CE2 TYR A 109 -3.921 0.713 1.838 1.00 0.00 C ATOM 1673 CZ TYR A 109 -2.653 1.136 2.153 1.00 0.00 C ATOM 1674 OH TYR A 109 -1.833 1.632 1.168 1.00 0.00 O ATOM 0 H TYR A 109 -3.432 -0.848 6.878 1.00 0.00 H new ATOM 0 HA TYR A 109 -5.161 1.350 6.390 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -4.938 -1.495 5.382 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.238 -0.444 4.854 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -2.662 0.497 5.447 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -5.730 -0.127 2.577 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -1.203 1.393 3.698 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -4.277 0.774 0.820 1.00 0.00 H new ATOM 0 HH TYR A 109 -2.306 1.616 0.310 1.00 0.00 H new ATOM 1684 N ARG A 110 -6.301 -1.076 8.184 1.00 0.00 N ATOM 1685 CA ARG A 110 -7.429 -1.476 9.054 1.00 0.00 C ATOM 1686 C ARG A 110 -7.797 -0.420 10.103 1.00 0.00 C ATOM 1687 O ARG A 110 -8.803 -0.543 10.809 1.00 0.00 O ATOM 1688 CB ARG A 110 -7.242 -2.844 9.682 1.00 0.00 C ATOM 1689 CG ARG A 110 -7.589 -3.960 8.731 1.00 0.00 C ATOM 1690 CD ARG A 110 -9.092 -4.046 8.509 1.00 0.00 C ATOM 1691 NE ARG A 110 -9.471 -5.012 7.474 1.00 0.00 N ATOM 1692 CZ ARG A 110 -9.717 -6.313 7.687 1.00 0.00 C ATOM 1693 NH1 ARG A 110 -9.446 -6.855 8.875 1.00 0.00 N ATOM 1694 NH2 ARG A 110 -10.208 -7.078 6.709 1.00 0.00 N ATOM 0 H ARG A 110 -5.471 -1.666 8.245 1.00 0.00 H new ATOM 0 HA ARG A 110 -8.282 -1.552 8.380 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.207 -2.954 10.007 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.865 -2.921 10.573 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -7.087 -3.798 7.777 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.223 -4.907 9.128 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -9.576 -4.320 9.447 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.468 -3.061 8.232 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.554 -4.668 6.517 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.052 -6.280 9.620 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.633 -7.844 9.039 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.399 -6.674 5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.392 -8.067 6.879 1.00 0.00 H new ATOM 1708 N SER A 111 -6.966 0.590 10.231 1.00 0.00 N ATOM 1709 CA SER A 111 -7.263 1.709 11.101 1.00 0.00 C ATOM 1710 C SER A 111 -8.185 2.779 10.430 1.00 0.00 C ATOM 1711 O SER A 111 -8.914 3.477 11.134 1.00 0.00 O ATOM 1712 CB SER A 111 -5.947 2.348 11.550 1.00 0.00 C ATOM 1713 OG SER A 111 -5.046 1.352 12.037 1.00 0.00 O ATOM 0 H SER A 111 -6.074 0.661 9.741 1.00 0.00 H new ATOM 0 HA SER A 111 -7.816 1.326 11.958 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.492 2.881 10.715 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.141 3.084 12.331 1.00 0.00 H new ATOM 0 HG SER A 111 -4.466 1.050 11.307 1.00 0.00 H new ATOM 1719 N TRP A 112 -8.185 2.886 9.085 1.00 0.00 N ATOM 1720 CA TRP A 112 -8.898 3.986 8.395 1.00 0.00 C ATOM 1721 C TRP A 112 -9.562 3.490 7.091 1.00 0.00 C ATOM 1722 O TRP A 112 -10.707 3.817 6.788 1.00 0.00 O ATOM 1723 CB TRP A 112 -7.905 5.172 8.121 1.00 0.00 C ATOM 1724 CG TRP A 112 -6.464 4.804 8.361 1.00 0.00 C ATOM 1725 CD1 TRP A 112 -5.772 3.801 7.748 1.00 0.00 C ATOM 1726 CD2 TRP A 112 -5.536 5.431 9.251 1.00 0.00 C ATOM 1727 NE1 TRP A 112 -4.515 3.744 8.220 1.00 0.00 N ATOM 1728 CE2 TRP A 112 -4.333 4.719 9.141 1.00 0.00 C ATOM 1729 CE3 TRP A 112 -5.607 6.502 10.141 1.00 0.00 C ATOM 1730 CZ2 TRP A 112 -3.213 5.031 9.868 1.00 0.00 C ATOM 1731 CZ3 TRP A 112 -4.481 6.822 10.872 1.00 0.00 C ATOM 1732 CH2 TRP A 112 -3.297 6.083 10.734 1.00 0.00 C ATOM 0 H TRP A 112 -7.707 2.236 8.461 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.698 4.347 9.042 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -8.022 5.505 7.090 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.170 6.015 8.760 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -6.177 3.146 6.991 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -3.807 3.070 7.929 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -6.520 7.067 10.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -2.299 4.466 9.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -4.512 7.654 11.560 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -2.434 6.352 11.325 1.00 0.00 H new ATOM 1743 N THR A 113 -8.831 2.658 6.381 1.00 0.00 N ATOM 1744 CA THR A 113 -9.230 2.060 5.104 1.00 0.00 C ATOM 1745 C THR A 113 -10.187 0.844 5.242 1.00 0.00 C ATOM 1746 O THR A 113 -10.233 0.004 4.342 1.00 0.00 O ATOM 1747 CB THR A 113 -7.950 1.570 4.415 1.00 0.00 C ATOM 1748 OG1 THR A 113 -6.877 2.463 4.738 1.00 0.00 O ATOM 1749 CG2 THR A 113 -8.103 1.543 2.906 1.00 0.00 C ATOM 0 H THR A 113 -7.903 2.361 6.681 1.00 0.00 H new ATOM 0 HA THR A 113 -9.769 2.823 4.542 1.00 0.00 H new ATOM 0 HB THR A 113 -7.746 0.558 4.765 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.227 3.373 4.835 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.176 1.191 2.453 1.00 0.00 H new ATOM 0 HG22 THR A 113 -8.918 0.872 2.635 1.00 0.00 H new ATOM 0 HG23 THR A 113 -8.325 2.547 2.545 1.00 0.00 H new ATOM 1757 N ASN A 114 -10.991 0.810 6.304 1.00 0.00 N ATOM 1758 CA ASN A 114 -11.961 -0.279 6.583 1.00 0.00 C ATOM 1759 C ASN A 114 -11.246 -1.489 7.144 1.00 0.00 C ATOM 1760 O ASN A 114 -10.939 -2.434 6.383 1.00 0.00 O ATOM 1761 CB ASN A 114 -12.824 -0.706 5.362 1.00 0.00 C ATOM 1762 CG ASN A 114 -13.624 0.414 4.741 1.00 0.00 C ATOM 1763 OD1 ASN A 114 -14.776 0.672 5.119 1.00 0.00 O ATOM 1764 ND2 ASN A 114 -13.040 1.068 3.768 1.00 0.00 N ATOM 1765 OXT ASN A 114 -10.986 -1.498 8.357 1.00 0.00 O ATOM 0 H ASN A 114 -10.996 1.543 7.013 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.654 0.135 7.315 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -12.170 -1.134 4.602 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -13.508 -1.495 5.674 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -13.535 1.821 3.291 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -12.090 0.824 3.488 1.00 0.00 H new TER 1772 ASN A 114