USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1009 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 MET CE :methyl 171:sc= -1.55 (180deg=-1.62) USER MOD Single : A 13 ASN : amide:sc= -1.89! K(o=-1.9!,f=-1.1) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0525 K(o=-0.053,f=-0.99) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.5 K(o=-1.5,f=-3.2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.534 K(o=-0.53,f=-2.1) USER MOD Single : A 36 SER OG : rot 74:sc= 1.14 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.2!) USER MOD Single : A 45 TYR OH : rot 32:sc= 0.994 USER MOD Single : A 48 CYS SG : rot 130:sc= 0.921 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -2.95! C(o=-3!,f=-13!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -1.75! K(o=-1.8!,f=-2.3) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -103:sc= 0.94 USER MOD Single : A 88 ASN : amide:sc= -0.817! X(o=-0.82!,f=-1.2) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.725 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 171:sc= -0.558 USER MOD Single : A 106 GLN : amide:sc= -0.231 K(o=-0.23,f=-1.2) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0965 K(o=-0.097,f=-1.7!) USER MOD Single : A 111 ASN : amide:sc= -1.32 K(o=-1.3,f=-11!) USER MOD Single : A 112 ASN : amide:sc= -0.105 X(o=-0.1,f=-0.089) USER MOD Single : A 113 GLN : amide:sc= -0.653 K(o=-0.65,f=-2.6!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl -132:sc= -2.81! (180deg=-6.27!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 153:sc= -0.0227 (180deg=-0.363) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.999 2.927 8.229 1.00 0.00 N ATOM 60 CA GLY A 7 -13.786 3.003 7.009 1.00 0.00 C ATOM 61 C GLY A 7 -12.891 3.252 5.794 1.00 0.00 C ATOM 62 O GLY A 7 -11.865 2.594 5.627 1.00 0.00 O ATOM 0 HA2 GLY A 7 -14.341 2.075 6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.520 3.804 7.095 1.00 0.00 H new ATOM 66 N MET A 8 -13.312 4.204 4.974 1.00 0.00 N ATOM 67 CA MET A 8 -12.562 4.549 3.778 1.00 0.00 C ATOM 68 C MET A 8 -12.296 6.054 3.713 1.00 0.00 C ATOM 69 O MET A 8 -11.148 6.481 3.606 1.00 0.00 O ATOM 70 CB MET A 8 -13.347 4.115 2.540 1.00 0.00 C ATOM 71 CG MET A 8 -12.677 4.621 1.261 1.00 0.00 C ATOM 72 SD MET A 8 -11.888 3.267 0.407 1.00 0.00 S ATOM 73 CE MET A 8 -10.215 3.459 1.002 1.00 0.00 C ATOM 0 H MET A 8 -14.164 4.748 5.115 1.00 0.00 H new ATOM 0 HA MET A 8 -11.604 4.031 3.811 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.417 3.028 2.512 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.366 4.499 2.598 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.419 5.088 0.613 1.00 0.00 H new ATOM 0 HG3 MET A 8 -11.940 5.386 1.505 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.619 2.600 0.694 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.783 4.369 0.585 1.00 0.00 H new ATOM 0 HE3 MET A 8 -10.221 3.526 2.090 1.00 0.00 H new ATOM 83 N GLU A 9 -13.377 6.817 3.779 1.00 0.00 N ATOM 84 CA GLU A 9 -13.275 8.266 3.729 1.00 0.00 C ATOM 85 C GLU A 9 -12.396 8.776 4.872 1.00 0.00 C ATOM 86 O GLU A 9 -11.940 9.918 4.847 1.00 0.00 O ATOM 87 CB GLU A 9 -14.661 8.915 3.771 1.00 0.00 C ATOM 88 CG GLU A 9 -14.826 9.927 2.636 1.00 0.00 C ATOM 89 CD GLU A 9 -16.217 10.563 2.668 1.00 0.00 C ATOM 90 OE1 GLU A 9 -17.156 9.898 2.177 1.00 0.00 O ATOM 91 OE2 GLU A 9 -16.310 11.698 3.181 1.00 0.00 O ATOM 0 H GLU A 9 -14.328 6.459 3.867 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.807 8.546 2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.429 8.146 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.805 9.412 4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.065 10.703 2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.670 9.432 1.677 1.00 0.00 H new ATOM 98 N ALA A 10 -12.184 7.904 5.848 1.00 0.00 N ATOM 99 CA ALA A 10 -11.367 8.253 6.998 1.00 0.00 C ATOM 100 C ALA A 10 -9.944 7.734 6.784 1.00 0.00 C ATOM 101 O ALA A 10 -8.976 8.387 7.170 1.00 0.00 O ATOM 102 CB ALA A 10 -12.008 7.691 8.268 1.00 0.00 C ATOM 0 H ALA A 10 -12.564 6.957 5.866 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.309 9.335 7.113 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.396 7.952 9.131 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.006 8.113 8.390 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.080 6.606 8.190 1.00 0.00 H new ATOM 108 N VAL A 11 -9.862 6.563 6.169 1.00 0.00 N ATOM 109 CA VAL A 11 -8.574 5.948 5.899 1.00 0.00 C ATOM 110 C VAL A 11 -7.797 6.817 4.907 1.00 0.00 C ATOM 111 O VAL A 11 -6.640 7.157 5.150 1.00 0.00 O ATOM 112 CB VAL A 11 -8.772 4.512 5.409 1.00 0.00 C ATOM 113 CG1 VAL A 11 -7.618 4.078 4.502 1.00 0.00 C ATOM 114 CG2 VAL A 11 -8.937 3.549 6.586 1.00 0.00 C ATOM 0 H VAL A 11 -10.667 6.024 5.850 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.981 5.887 6.812 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.689 4.482 4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.783 3.054 4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.567 4.739 3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.680 4.132 5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.076 2.535 6.210 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.046 3.584 7.213 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.807 3.840 7.175 1.00 0.00 H new ATOM 124 N LEU A 12 -8.464 7.148 3.811 1.00 0.00 N ATOM 125 CA LEU A 12 -7.850 7.970 2.783 1.00 0.00 C ATOM 126 C LEU A 12 -7.560 9.360 3.352 1.00 0.00 C ATOM 127 O LEU A 12 -6.510 9.940 3.078 1.00 0.00 O ATOM 128 CB LEU A 12 -8.720 7.990 1.524 1.00 0.00 C ATOM 129 CG LEU A 12 -8.367 6.959 0.449 1.00 0.00 C ATOM 130 CD1 LEU A 12 -9.367 7.011 -0.709 1.00 0.00 C ATOM 131 CD2 LEU A 12 -6.926 7.138 -0.031 1.00 0.00 C ATOM 0 H LEU A 12 -9.423 6.862 3.613 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.894 7.546 2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.757 7.836 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.660 8.984 1.080 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.437 5.966 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.094 6.269 -1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.368 6.797 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.352 8.004 -1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.702 6.393 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.804 8.136 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.244 7.013 0.810 1.00 0.00 H new ATOM 143 N ASN A 13 -8.508 9.854 4.133 1.00 0.00 N ATOM 144 CA ASN A 13 -8.368 11.165 4.744 1.00 0.00 C ATOM 145 C ASN A 13 -7.131 11.173 5.645 1.00 0.00 C ATOM 146 O ASN A 13 -6.095 11.723 5.277 1.00 0.00 O ATOM 147 CB ASN A 13 -9.584 11.504 5.607 1.00 0.00 C ATOM 148 CG ASN A 13 -10.528 12.460 4.874 1.00 0.00 C ATOM 149 OD1 ASN A 13 -10.783 13.573 5.303 1.00 0.00 O ATOM 150 ND2 ASN A 13 -11.031 11.964 3.746 1.00 0.00 N ATOM 0 H ASN A 13 -9.377 9.370 4.357 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.277 11.901 3.945 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -10.117 10.589 5.866 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.256 11.958 6.542 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.672 12.524 3.184 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.776 11.024 3.444 1.00 0.00 H new ATOM 157 N GLU A 14 -7.284 10.558 6.809 1.00 0.00 N ATOM 158 CA GLU A 14 -6.192 10.487 7.765 1.00 0.00 C ATOM 159 C GLU A 14 -4.913 10.007 7.077 1.00 0.00 C ATOM 160 O GLU A 14 -4.939 9.043 6.313 1.00 0.00 O ATOM 161 CB GLU A 14 -6.553 9.580 8.944 1.00 0.00 C ATOM 162 CG GLU A 14 -6.268 10.275 10.277 1.00 0.00 C ATOM 163 CD GLU A 14 -5.815 9.265 11.334 1.00 0.00 C ATOM 164 OE1 GLU A 14 -4.683 8.757 11.186 1.00 0.00 O ATOM 165 OE2 GLU A 14 -6.611 9.025 12.268 1.00 0.00 O ATOM 0 H GLU A 14 -8.146 10.105 7.111 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.016 11.488 8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.607 9.309 8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.982 8.654 8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.497 11.033 10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.164 10.791 10.622 1.00 0.00 H new ATOM 172 N LEU A 15 -3.824 10.702 7.373 1.00 0.00 N ATOM 173 CA LEU A 15 -2.537 10.358 6.792 1.00 0.00 C ATOM 174 C LEU A 15 -1.577 9.932 7.905 1.00 0.00 C ATOM 175 O LEU A 15 -1.731 10.343 9.053 1.00 0.00 O ATOM 176 CB LEU A 15 -2.010 11.512 5.935 1.00 0.00 C ATOM 177 CG LEU A 15 -1.955 12.882 6.615 1.00 0.00 C ATOM 178 CD1 LEU A 15 -0.739 12.988 7.537 1.00 0.00 C ATOM 179 CD2 LEU A 15 -1.992 14.009 5.582 1.00 0.00 C ATOM 0 H LEU A 15 -3.806 11.501 8.007 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.640 9.509 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.006 11.257 5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.636 11.594 5.047 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.842 12.989 7.239 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.724 13.971 8.008 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.798 12.218 8.307 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.172 12.850 6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.952 14.971 6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.137 13.917 4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.914 13.943 5.004 1.00 0.00 H new ATOM 191 N VAL A 16 -0.609 9.111 7.524 1.00 0.00 N ATOM 192 CA VAL A 16 0.375 8.624 8.476 1.00 0.00 C ATOM 193 C VAL A 16 1.058 9.814 9.152 1.00 0.00 C ATOM 194 O VAL A 16 0.734 10.965 8.865 1.00 0.00 O ATOM 195 CB VAL A 16 1.362 7.687 7.775 1.00 0.00 C ATOM 196 CG1 VAL A 16 2.640 8.431 7.383 1.00 0.00 C ATOM 197 CG2 VAL A 16 1.680 6.473 8.650 1.00 0.00 C ATOM 0 H VAL A 16 -0.485 8.771 6.570 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.108 8.039 9.259 1.00 0.00 H new ATOM 0 HB VAL A 16 0.891 7.327 6.860 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.324 7.743 6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.392 9.248 6.705 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.116 8.833 8.277 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.383 5.823 8.129 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.122 6.807 9.589 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.762 5.923 8.856 1.00 0.00 H new ATOM 207 N SER A 17 1.992 9.496 10.036 1.00 0.00 N ATOM 208 CA SER A 17 2.723 10.526 10.755 1.00 0.00 C ATOM 209 C SER A 17 4.218 10.195 10.766 1.00 0.00 C ATOM 210 O SER A 17 4.606 9.070 11.075 1.00 0.00 O ATOM 211 CB SER A 17 2.202 10.673 12.187 1.00 0.00 C ATOM 212 OG SER A 17 0.781 10.586 12.250 1.00 0.00 O ATOM 0 H SER A 17 2.259 8.540 10.271 1.00 0.00 H new ATOM 0 HA SER A 17 2.571 11.476 10.242 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.641 9.897 12.814 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.525 11.631 12.594 1.00 0.00 H new ATOM 0 HG SER A 17 0.488 10.683 13.180 1.00 0.00 H new ATOM 218 N VAL A 18 5.015 11.197 10.424 1.00 0.00 N ATOM 219 CA VAL A 18 6.457 11.027 10.391 1.00 0.00 C ATOM 220 C VAL A 18 6.895 10.186 11.591 1.00 0.00 C ATOM 221 O VAL A 18 7.589 9.182 11.430 1.00 0.00 O ATOM 222 CB VAL A 18 7.144 12.393 10.335 1.00 0.00 C ATOM 223 CG1 VAL A 18 7.049 13.109 11.684 1.00 0.00 C ATOM 224 CG2 VAL A 18 8.601 12.257 9.888 1.00 0.00 C ATOM 0 H VAL A 18 4.689 12.129 10.168 1.00 0.00 H new ATOM 0 HA VAL A 18 6.758 10.490 9.491 1.00 0.00 H new ATOM 0 HB VAL A 18 6.623 13.000 9.595 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.545 14.077 11.618 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.001 13.255 11.945 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.533 12.505 12.451 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.066 13.243 9.857 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.140 11.624 10.593 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.637 11.808 8.896 1.00 0.00 H new ATOM 234 N GLU A 19 6.473 10.626 12.767 1.00 0.00 N ATOM 235 CA GLU A 19 6.813 9.925 13.994 1.00 0.00 C ATOM 236 C GLU A 19 6.637 8.417 13.811 1.00 0.00 C ATOM 237 O GLU A 19 7.561 7.644 14.059 1.00 0.00 O ATOM 238 CB GLU A 19 5.976 10.436 15.167 1.00 0.00 C ATOM 239 CG GLU A 19 6.810 10.506 16.448 1.00 0.00 C ATOM 240 CD GLU A 19 5.961 10.973 17.632 1.00 0.00 C ATOM 241 OE1 GLU A 19 5.030 11.770 17.383 1.00 0.00 O ATOM 242 OE2 GLU A 19 6.262 10.523 18.758 1.00 0.00 O ATOM 0 H GLU A 19 5.899 11.459 12.897 1.00 0.00 H new ATOM 0 HA GLU A 19 7.860 10.123 14.224 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.580 11.424 14.932 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.121 9.778 15.321 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.233 9.525 16.664 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.647 11.190 16.304 1.00 0.00 H new ATOM 249 N ASP A 20 5.442 8.041 13.378 1.00 0.00 N ATOM 250 CA ASP A 20 5.131 6.638 13.159 1.00 0.00 C ATOM 251 C ASP A 20 5.923 6.128 11.953 1.00 0.00 C ATOM 252 O ASP A 20 6.610 5.112 12.042 1.00 0.00 O ATOM 253 CB ASP A 20 3.643 6.443 12.864 1.00 0.00 C ATOM 254 CG ASP A 20 2.810 5.943 14.046 1.00 0.00 C ATOM 255 OD1 ASP A 20 3.401 5.257 14.907 1.00 0.00 O ATOM 256 OD2 ASP A 20 1.601 6.259 14.062 1.00 0.00 O ATOM 0 H ASP A 20 4.677 8.684 13.173 1.00 0.00 H new ATOM 0 HA ASP A 20 5.394 6.089 14.063 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.228 7.391 12.522 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.541 5.735 12.041 1.00 0.00 H new ATOM 261 N LEU A 21 5.800 6.857 10.854 1.00 0.00 N ATOM 262 CA LEU A 21 6.497 6.491 9.632 1.00 0.00 C ATOM 263 C LEU A 21 7.925 6.061 9.972 1.00 0.00 C ATOM 264 O LEU A 21 8.441 5.101 9.402 1.00 0.00 O ATOM 265 CB LEU A 21 6.424 7.629 8.611 1.00 0.00 C ATOM 266 CG LEU A 21 6.629 7.233 7.149 1.00 0.00 C ATOM 267 CD1 LEU A 21 8.091 6.873 6.878 1.00 0.00 C ATOM 268 CD2 LEU A 21 5.677 6.104 6.747 1.00 0.00 C ATOM 0 H LEU A 21 5.229 7.699 10.784 1.00 0.00 H new ATOM 0 HA LEU A 21 6.011 5.638 9.159 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.451 8.111 8.703 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.175 8.374 8.873 1.00 0.00 H new ATOM 0 HG LEU A 21 6.388 8.094 6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.209 6.595 5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.724 7.732 7.099 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.383 6.035 7.511 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.844 5.842 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.862 5.232 7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.646 6.433 6.878 1.00 0.00 H new ATOM 280 N LYS A 22 8.523 6.793 10.900 1.00 0.00 N ATOM 281 CA LYS A 22 9.883 6.500 11.324 1.00 0.00 C ATOM 282 C LYS A 22 9.898 5.176 12.090 1.00 0.00 C ATOM 283 O LYS A 22 10.654 4.267 11.750 1.00 0.00 O ATOM 284 CB LYS A 22 10.463 7.675 12.114 1.00 0.00 C ATOM 285 CG LYS A 22 11.166 8.666 11.183 1.00 0.00 C ATOM 286 CD LYS A 22 12.673 8.407 11.143 1.00 0.00 C ATOM 287 CE LYS A 22 13.375 9.398 10.213 1.00 0.00 C ATOM 288 NZ LYS A 22 14.784 9.588 10.627 1.00 0.00 N ATOM 0 H LYS A 22 8.092 7.588 11.371 1.00 0.00 H new ATOM 0 HA LYS A 22 10.534 6.376 10.459 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.665 8.183 12.656 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.169 7.305 12.858 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.752 8.582 10.178 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.977 9.685 11.522 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.087 8.490 12.148 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.862 7.388 10.804 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.337 9.032 9.187 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.853 10.354 10.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.246 10.264 9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.814 9.958 11.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.283 8.676 10.588 1.00 0.00 H new ATOM 302 N ASN A 23 9.056 5.110 13.111 1.00 0.00 N ATOM 303 CA ASN A 23 8.965 3.913 13.930 1.00 0.00 C ATOM 304 C ASN A 23 8.930 2.681 13.022 1.00 0.00 C ATOM 305 O ASN A 23 9.387 1.608 13.409 1.00 0.00 O ATOM 306 CB ASN A 23 7.685 3.917 14.770 1.00 0.00 C ATOM 307 CG ASN A 23 7.905 4.638 16.101 1.00 0.00 C ATOM 308 OD1 ASN A 23 8.893 5.324 16.308 1.00 0.00 O ATOM 309 ND2 ASN A 23 6.933 4.446 16.987 1.00 0.00 N ATOM 0 H ASN A 23 8.431 5.866 13.390 1.00 0.00 H new ATOM 0 HA ASN A 23 9.831 3.890 14.591 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.884 4.406 14.216 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.365 2.892 14.956 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.986 4.885 17.906 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.134 3.859 16.748 1.00 0.00 H new ATOM 316 N PHE A 24 8.384 2.879 11.831 1.00 0.00 N ATOM 317 CA PHE A 24 8.284 1.798 10.865 1.00 0.00 C ATOM 318 C PHE A 24 9.486 1.797 9.917 1.00 0.00 C ATOM 319 O PHE A 24 10.243 0.830 9.870 1.00 0.00 O ATOM 320 CB PHE A 24 7.010 2.038 10.054 1.00 0.00 C ATOM 321 CG PHE A 24 5.730 1.575 10.754 1.00 0.00 C ATOM 322 CD1 PHE A 24 5.490 1.936 12.042 1.00 0.00 C ATOM 323 CD2 PHE A 24 4.832 0.802 10.086 1.00 0.00 C ATOM 324 CE1 PHE A 24 4.303 1.505 12.692 1.00 0.00 C ATOM 325 CE2 PHE A 24 3.645 0.372 10.735 1.00 0.00 C ATOM 326 CZ PHE A 24 3.406 0.732 12.024 1.00 0.00 C ATOM 0 H PHE A 24 8.006 3.772 11.513 1.00 0.00 H new ATOM 0 HA PHE A 24 8.262 0.839 11.382 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.927 3.102 9.834 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.097 1.521 9.099 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.202 2.551 12.572 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.022 0.515 9.062 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.113 1.791 13.716 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.932 -0.241 10.205 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.503 0.404 12.518 1.00 0.00 H new ATOM 336 N GLU A 25 9.622 2.894 9.185 1.00 0.00 N ATOM 337 CA GLU A 25 10.717 3.032 8.241 1.00 0.00 C ATOM 338 C GLU A 25 12.014 2.493 8.850 1.00 0.00 C ATOM 339 O GLU A 25 12.900 2.038 8.129 1.00 0.00 O ATOM 340 CB GLU A 25 10.882 4.488 7.801 1.00 0.00 C ATOM 341 CG GLU A 25 11.603 4.575 6.455 1.00 0.00 C ATOM 342 CD GLU A 25 11.487 5.981 5.861 1.00 0.00 C ATOM 343 OE1 GLU A 25 11.528 6.941 6.662 1.00 0.00 O ATOM 344 OE2 GLU A 25 11.360 6.065 4.621 1.00 0.00 O ATOM 0 H GLU A 25 8.992 3.695 9.227 1.00 0.00 H new ATOM 0 HA GLU A 25 10.482 2.443 7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.903 4.962 7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.445 5.038 8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.654 4.316 6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.178 3.848 5.763 1.00 0.00 H new ATOM 351 N ARG A 26 12.084 2.563 10.172 1.00 0.00 N ATOM 352 CA ARG A 26 13.256 2.088 10.886 1.00 0.00 C ATOM 353 C ARG A 26 13.215 0.565 11.019 1.00 0.00 C ATOM 354 O ARG A 26 14.123 -0.126 10.558 1.00 0.00 O ATOM 355 CB ARG A 26 13.343 2.713 12.279 1.00 0.00 C ATOM 356 CG ARG A 26 13.983 1.745 13.275 1.00 0.00 C ATOM 357 CD ARG A 26 14.439 2.479 14.538 1.00 0.00 C ATOM 358 NE ARG A 26 13.546 2.142 15.669 1.00 0.00 N ATOM 359 CZ ARG A 26 13.755 2.534 16.934 1.00 0.00 C ATOM 360 NH1 ARG A 26 14.827 3.277 17.236 1.00 0.00 N ATOM 361 NH2 ARG A 26 12.891 2.181 17.896 1.00 0.00 N ATOM 0 H ARG A 26 11.347 2.942 10.767 1.00 0.00 H new ATOM 0 HA ARG A 26 14.135 2.382 10.313 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.927 3.632 12.233 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.345 2.986 12.622 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.268 0.966 13.541 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.836 1.250 12.810 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.465 2.202 14.779 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.431 3.555 14.366 1.00 0.00 H new ATOM 0 HE ARG A 26 12.720 1.576 15.474 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.485 3.545 16.504 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.986 3.575 18.198 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.075 1.614 17.666 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.050 2.479 18.858 1.00 0.00 H new ATOM 375 N LYS A 27 12.154 0.086 11.650 1.00 0.00 N ATOM 376 CA LYS A 27 11.983 -1.344 11.850 1.00 0.00 C ATOM 377 C LYS A 27 12.310 -2.078 10.548 1.00 0.00 C ATOM 378 O LYS A 27 13.108 -3.014 10.543 1.00 0.00 O ATOM 379 CB LYS A 27 10.586 -1.646 12.393 1.00 0.00 C ATOM 380 CG LYS A 27 10.641 -2.712 13.488 1.00 0.00 C ATOM 381 CD LYS A 27 9.798 -2.302 14.697 1.00 0.00 C ATOM 382 CE LYS A 27 10.211 -3.086 15.944 1.00 0.00 C ATOM 383 NZ LYS A 27 9.268 -4.200 16.192 1.00 0.00 N ATOM 0 H LYS A 27 11.403 0.662 12.030 1.00 0.00 H new ATOM 0 HA LYS A 27 12.678 -1.709 12.606 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.142 -0.734 12.791 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.942 -1.986 11.582 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.280 -3.662 13.094 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.675 -2.868 13.797 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.913 -1.234 14.880 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.743 -2.477 14.486 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.220 -3.478 15.817 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.233 -2.421 16.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.563 -4.722 17.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.311 -3.819 16.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.267 -4.843 15.374 1.00 0.00 H new ATOM 397 N PHE A 28 11.675 -1.627 9.477 1.00 0.00 N ATOM 398 CA PHE A 28 11.887 -2.230 8.171 1.00 0.00 C ATOM 399 C PHE A 28 13.369 -2.205 7.791 1.00 0.00 C ATOM 400 O PHE A 28 13.976 -3.254 7.577 1.00 0.00 O ATOM 401 CB PHE A 28 11.100 -1.395 7.160 1.00 0.00 C ATOM 402 CG PHE A 28 11.167 -1.928 5.727 1.00 0.00 C ATOM 403 CD1 PHE A 28 10.896 -3.237 5.476 1.00 0.00 C ATOM 404 CD2 PHE A 28 11.496 -1.093 4.705 1.00 0.00 C ATOM 405 CE1 PHE A 28 10.958 -3.732 4.146 1.00 0.00 C ATOM 406 CE2 PHE A 28 11.557 -1.588 3.375 1.00 0.00 C ATOM 407 CZ PHE A 28 11.287 -2.897 3.124 1.00 0.00 C ATOM 0 H PHE A 28 11.013 -0.851 9.486 1.00 0.00 H new ATOM 0 HA PHE A 28 11.559 -3.269 8.183 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.057 -1.353 7.473 1.00 0.00 H new ATOM 0 HB3 PHE A 28 11.479 -0.373 7.175 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.634 -3.900 6.287 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.711 -0.054 4.905 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.744 -4.772 3.946 1.00 0.00 H new ATOM 0 HE2 PHE A 28 11.818 -0.925 2.563 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.334 -3.274 2.113 1.00 0.00 H new ATOM 417 N GLN A 29 13.909 -0.998 7.719 1.00 0.00 N ATOM 418 CA GLN A 29 15.308 -0.823 7.368 1.00 0.00 C ATOM 419 C GLN A 29 16.196 -1.656 8.296 1.00 0.00 C ATOM 420 O GLN A 29 17.128 -2.316 7.841 1.00 0.00 O ATOM 421 CB GLN A 29 15.704 0.654 7.410 1.00 0.00 C ATOM 422 CG GLN A 29 14.977 1.448 6.324 1.00 0.00 C ATOM 423 CD GLN A 29 15.058 2.951 6.596 1.00 0.00 C ATOM 424 OE1 GLN A 29 14.977 3.410 7.724 1.00 0.00 O ATOM 425 NE2 GLN A 29 15.223 3.692 5.503 1.00 0.00 N ATOM 0 H GLN A 29 13.403 -0.131 7.898 1.00 0.00 H new ATOM 0 HA GLN A 29 15.453 -1.174 6.346 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.467 1.070 8.389 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.781 0.749 7.275 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.416 1.227 5.351 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.933 1.139 6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.283 3.245 4.588 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.289 4.707 5.580 1.00 0.00 H new ATOM 434 N SER A 30 15.875 -1.597 9.580 1.00 0.00 N ATOM 435 CA SER A 30 16.631 -2.337 10.576 1.00 0.00 C ATOM 436 C SER A 30 16.705 -3.814 10.184 1.00 0.00 C ATOM 437 O SER A 30 17.748 -4.449 10.336 1.00 0.00 O ATOM 438 CB SER A 30 16.008 -2.186 11.964 1.00 0.00 C ATOM 439 OG SER A 30 16.969 -1.793 12.941 1.00 0.00 O ATOM 0 H SER A 30 15.101 -1.048 9.954 1.00 0.00 H new ATOM 0 HA SER A 30 17.640 -1.927 10.615 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.208 -1.446 11.924 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.554 -3.131 12.262 1.00 0.00 H new ATOM 0 HG SER A 30 16.531 -1.706 13.814 1.00 0.00 H new ATOM 445 N GLU A 31 15.584 -4.320 9.690 1.00 0.00 N ATOM 446 CA GLU A 31 15.509 -5.710 9.277 1.00 0.00 C ATOM 447 C GLU A 31 15.980 -5.859 7.828 1.00 0.00 C ATOM 448 O GLU A 31 16.404 -6.939 7.418 1.00 0.00 O ATOM 449 CB GLU A 31 14.091 -6.257 9.450 1.00 0.00 C ATOM 450 CG GLU A 31 13.679 -6.254 10.924 1.00 0.00 C ATOM 451 CD GLU A 31 14.462 -7.306 11.714 1.00 0.00 C ATOM 452 OE1 GLU A 31 14.783 -8.350 11.106 1.00 0.00 O ATOM 453 OE2 GLU A 31 14.720 -7.041 12.907 1.00 0.00 O ATOM 0 H GLU A 31 14.720 -3.791 9.567 1.00 0.00 H new ATOM 0 HA GLU A 31 16.170 -6.295 9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.391 -5.653 8.872 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.038 -7.272 9.056 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.854 -5.267 11.352 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.610 -6.452 11.007 1.00 0.00 H new ATOM 460 N GLN A 32 15.891 -4.760 7.094 1.00 0.00 N ATOM 461 CA GLN A 32 16.303 -4.756 5.701 1.00 0.00 C ATOM 462 C GLN A 32 17.830 -4.778 5.599 1.00 0.00 C ATOM 463 O GLN A 32 18.405 -5.708 5.035 1.00 0.00 O ATOM 464 CB GLN A 32 15.722 -3.550 4.961 1.00 0.00 C ATOM 465 CG GLN A 32 15.411 -3.898 3.504 1.00 0.00 C ATOM 466 CD GLN A 32 14.663 -2.755 2.814 1.00 0.00 C ATOM 467 OE1 GLN A 32 14.510 -1.669 3.348 1.00 0.00 O ATOM 468 NE2 GLN A 32 14.209 -3.060 1.602 1.00 0.00 N ATOM 0 H GLN A 32 15.540 -3.866 7.438 1.00 0.00 H new ATOM 0 HA GLN A 32 15.913 -5.656 5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 32 14.813 -3.216 5.461 1.00 0.00 H new ATOM 0 HB3 GLN A 32 16.429 -2.721 4.998 1.00 0.00 H new ATOM 0 HG2 GLN A 32 16.338 -4.105 2.970 1.00 0.00 H new ATOM 0 HG3 GLN A 32 14.810 -4.807 3.464 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.373 -3.989 1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 32 13.697 -2.365 1.059 1.00 0.00 H new ATOM 477 N ALA A 33 18.444 -3.742 6.155 1.00 0.00 N ATOM 478 CA ALA A 33 19.892 -3.632 6.134 1.00 0.00 C ATOM 479 C ALA A 33 20.499 -4.767 6.961 1.00 0.00 C ATOM 480 O ALA A 33 21.686 -5.062 6.840 1.00 0.00 O ATOM 481 CB ALA A 33 20.306 -2.251 6.647 1.00 0.00 C ATOM 0 H ALA A 33 17.964 -2.973 6.622 1.00 0.00 H new ATOM 0 HA ALA A 33 20.269 -3.729 5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 33 21.393 -2.168 6.631 1.00 0.00 H new ATOM 0 HB2 ALA A 33 19.874 -1.481 6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.947 -2.119 7.668 1.00 0.00 H new ATOM 487 N ALA A 34 19.655 -5.373 7.783 1.00 0.00 N ATOM 488 CA ALA A 34 20.093 -6.470 8.631 1.00 0.00 C ATOM 489 C ALA A 34 20.524 -7.646 7.751 1.00 0.00 C ATOM 490 O ALA A 34 21.363 -8.450 8.154 1.00 0.00 O ATOM 491 CB ALA A 34 18.970 -6.846 9.598 1.00 0.00 C ATOM 0 H ALA A 34 18.670 -5.126 7.880 1.00 0.00 H new ATOM 0 HA ALA A 34 20.954 -6.174 9.231 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.298 -7.668 10.234 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.720 -5.985 10.218 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.090 -7.153 9.032 1.00 0.00 H new ATOM 497 N GLY A 35 19.931 -7.708 6.569 1.00 0.00 N ATOM 498 CA GLY A 35 20.244 -8.773 5.631 1.00 0.00 C ATOM 499 C GLY A 35 18.967 -9.381 5.045 1.00 0.00 C ATOM 500 O GLY A 35 19.026 -10.161 4.095 1.00 0.00 O ATOM 0 H GLY A 35 19.236 -7.039 6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.867 -8.382 4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.822 -9.548 6.135 1.00 0.00 H new ATOM 504 N SER A 36 17.844 -8.999 5.636 1.00 0.00 N ATOM 505 CA SER A 36 16.555 -9.497 5.184 1.00 0.00 C ATOM 506 C SER A 36 15.482 -9.190 6.229 1.00 0.00 C ATOM 507 O SER A 36 15.731 -9.291 7.430 1.00 0.00 O ATOM 508 CB SER A 36 16.612 -11.001 4.906 1.00 0.00 C ATOM 509 OG SER A 36 16.901 -11.281 3.540 1.00 0.00 O ATOM 0 H SER A 36 17.800 -8.351 6.423 1.00 0.00 H new ATOM 0 HA SER A 36 16.300 -8.993 4.252 1.00 0.00 H new ATOM 0 HB2 SER A 36 17.373 -11.458 5.538 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.659 -11.456 5.175 1.00 0.00 H new ATOM 0 HG SER A 36 17.846 -11.092 3.360 1.00 0.00 H new ATOM 515 N VAL A 37 14.309 -8.821 5.735 1.00 0.00 N ATOM 516 CA VAL A 37 13.195 -8.499 6.612 1.00 0.00 C ATOM 517 C VAL A 37 11.946 -9.243 6.137 1.00 0.00 C ATOM 518 O VAL A 37 11.823 -9.566 4.956 1.00 0.00 O ATOM 519 CB VAL A 37 13.000 -6.983 6.674 1.00 0.00 C ATOM 520 CG1 VAL A 37 13.022 -6.369 5.272 1.00 0.00 C ATOM 521 CG2 VAL A 37 11.707 -6.626 7.409 1.00 0.00 C ATOM 0 H VAL A 37 14.106 -8.738 4.739 1.00 0.00 H new ATOM 0 HA VAL A 37 13.402 -8.829 7.630 1.00 0.00 H new ATOM 0 HB VAL A 37 13.832 -6.561 7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 37 12.881 -5.291 5.345 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.981 -6.579 4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.220 -6.800 4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.593 -5.542 7.439 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.858 -7.066 6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.748 -7.015 8.427 1.00 0.00 H new ATOM 531 N SER A 38 11.051 -9.495 7.082 1.00 0.00 N ATOM 532 CA SER A 38 9.816 -10.196 6.773 1.00 0.00 C ATOM 533 C SER A 38 8.824 -9.239 6.109 1.00 0.00 C ATOM 534 O SER A 38 8.943 -8.022 6.244 1.00 0.00 O ATOM 535 CB SER A 38 9.200 -10.805 8.034 1.00 0.00 C ATOM 536 OG SER A 38 10.123 -11.641 8.728 1.00 0.00 O ATOM 0 H SER A 38 11.157 -9.227 8.060 1.00 0.00 H new ATOM 0 HA SER A 38 10.046 -11.008 6.083 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.865 -10.006 8.696 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.318 -11.385 7.763 1.00 0.00 H new ATOM 0 HG SER A 38 9.693 -12.010 9.528 1.00 0.00 H new ATOM 542 N LYS A 39 7.867 -9.826 5.404 1.00 0.00 N ATOM 543 CA LYS A 39 6.855 -9.042 4.718 1.00 0.00 C ATOM 544 C LYS A 39 6.150 -8.131 5.725 1.00 0.00 C ATOM 545 O LYS A 39 5.894 -6.963 5.439 1.00 0.00 O ATOM 546 CB LYS A 39 5.902 -9.955 3.943 1.00 0.00 C ATOM 547 CG LYS A 39 5.430 -11.120 4.816 1.00 0.00 C ATOM 548 CD LYS A 39 5.733 -12.463 4.148 1.00 0.00 C ATOM 549 CE LYS A 39 5.046 -13.611 4.889 1.00 0.00 C ATOM 550 NZ LYS A 39 5.003 -14.824 4.042 1.00 0.00 N ATOM 0 H LYS A 39 7.772 -10.836 5.294 1.00 0.00 H new ATOM 0 HA LYS A 39 7.317 -8.395 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.041 -9.381 3.599 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.403 -10.341 3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.922 -11.074 5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.359 -11.033 4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.397 -12.442 3.111 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.810 -12.630 4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.580 -13.826 5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.033 -13.318 5.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.533 -15.593 4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.473 -14.620 3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.972 -15.112 3.799 1.00 0.00 H new ATOM 564 N SER A 40 5.857 -8.702 6.885 1.00 0.00 N ATOM 565 CA SER A 40 5.187 -7.957 7.937 1.00 0.00 C ATOM 566 C SER A 40 5.677 -6.507 7.945 1.00 0.00 C ATOM 567 O SER A 40 5.051 -5.633 7.348 1.00 0.00 O ATOM 568 CB SER A 40 5.420 -8.603 9.305 1.00 0.00 C ATOM 569 OG SER A 40 4.341 -9.453 9.683 1.00 0.00 O ATOM 0 H SER A 40 6.071 -9.671 7.119 1.00 0.00 H new ATOM 0 HA SER A 40 4.116 -7.971 7.736 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.345 -9.179 9.281 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.549 -7.824 10.057 1.00 0.00 H new ATOM 0 HG SER A 40 4.527 -9.848 10.560 1.00 0.00 H new ATOM 575 N THR A 41 6.793 -6.297 8.629 1.00 0.00 N ATOM 576 CA THR A 41 7.374 -4.968 8.723 1.00 0.00 C ATOM 577 C THR A 41 7.306 -4.260 7.369 1.00 0.00 C ATOM 578 O THR A 41 6.874 -3.111 7.287 1.00 0.00 O ATOM 579 CB THR A 41 8.798 -5.112 9.262 1.00 0.00 C ATOM 580 OG1 THR A 41 8.619 -5.568 10.601 1.00 0.00 O ATOM 581 CG2 THR A 41 9.504 -3.764 9.420 1.00 0.00 C ATOM 0 H THR A 41 7.310 -7.025 9.123 1.00 0.00 H new ATOM 0 HA THR A 41 6.812 -4.338 9.413 1.00 0.00 H new ATOM 0 HB THR A 41 9.376 -5.749 8.592 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.494 -5.690 11.025 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.511 -3.924 9.806 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.561 -3.267 8.451 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.944 -3.139 10.116 1.00 0.00 H new ATOM 589 N GLN A 42 7.740 -4.974 6.341 1.00 0.00 N ATOM 590 CA GLN A 42 7.733 -4.428 4.995 1.00 0.00 C ATOM 591 C GLN A 42 6.362 -3.831 4.670 1.00 0.00 C ATOM 592 O GLN A 42 6.246 -2.630 4.429 1.00 0.00 O ATOM 593 CB GLN A 42 8.123 -5.494 3.969 1.00 0.00 C ATOM 594 CG GLN A 42 8.140 -4.913 2.553 1.00 0.00 C ATOM 595 CD GLN A 42 8.854 -5.855 1.582 1.00 0.00 C ATOM 596 OE1 GLN A 42 9.766 -6.582 1.939 1.00 0.00 O ATOM 597 NE2 GLN A 42 8.387 -5.803 0.337 1.00 0.00 N ATOM 0 H GLN A 42 8.099 -5.926 6.413 1.00 0.00 H new ATOM 0 HA GLN A 42 8.475 -3.632 4.944 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.106 -5.896 4.213 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.419 -6.324 4.017 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.118 -4.742 2.214 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.640 -3.944 2.560 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.620 -5.171 0.106 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.796 -6.395 -0.386 1.00 0.00 H new ATOM 606 N PHE A 43 5.359 -4.696 4.674 1.00 0.00 N ATOM 607 CA PHE A 43 4.001 -4.270 4.383 1.00 0.00 C ATOM 608 C PHE A 43 3.601 -3.081 5.260 1.00 0.00 C ATOM 609 O PHE A 43 3.038 -2.105 4.767 1.00 0.00 O ATOM 610 CB PHE A 43 3.083 -5.453 4.699 1.00 0.00 C ATOM 611 CG PHE A 43 1.664 -5.049 5.101 1.00 0.00 C ATOM 612 CD1 PHE A 43 0.723 -4.823 4.145 1.00 0.00 C ATOM 613 CD2 PHE A 43 1.341 -4.915 6.416 1.00 0.00 C ATOM 614 CE1 PHE A 43 -0.593 -4.449 4.519 1.00 0.00 C ATOM 615 CE2 PHE A 43 0.024 -4.541 6.790 1.00 0.00 C ATOM 616 CZ PHE A 43 -0.917 -4.315 5.833 1.00 0.00 C ATOM 0 H PHE A 43 5.460 -5.691 4.874 1.00 0.00 H new ATOM 0 HA PHE A 43 3.923 -3.962 3.340 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.031 -6.103 3.825 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.526 -6.038 5.505 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.978 -4.928 3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.088 -5.093 7.176 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.339 -4.270 3.759 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.232 -4.436 7.834 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.919 -4.030 6.117 1.00 0.00 H new ATOM 626 N GLU A 44 3.906 -3.203 6.543 1.00 0.00 N ATOM 627 CA GLU A 44 3.585 -2.151 7.492 1.00 0.00 C ATOM 628 C GLU A 44 4.078 -0.799 6.972 1.00 0.00 C ATOM 629 O GLU A 44 3.276 0.064 6.619 1.00 0.00 O ATOM 630 CB GLU A 44 4.174 -2.457 8.870 1.00 0.00 C ATOM 631 CG GLU A 44 3.141 -3.138 9.769 1.00 0.00 C ATOM 632 CD GLU A 44 3.544 -3.037 11.242 1.00 0.00 C ATOM 633 OE1 GLU A 44 4.754 -3.198 11.512 1.00 0.00 O ATOM 634 OE2 GLU A 44 2.633 -2.801 12.065 1.00 0.00 O ATOM 0 H GLU A 44 4.372 -4.015 6.948 1.00 0.00 H new ATOM 0 HA GLU A 44 2.501 -2.104 7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.047 -3.100 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.515 -1.533 9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.165 -2.675 9.623 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.042 -4.186 9.486 1.00 0.00 H new ATOM 641 N TYR A 45 5.394 -0.657 6.943 1.00 0.00 N ATOM 642 CA TYR A 45 6.005 0.575 6.472 1.00 0.00 C ATOM 643 C TYR A 45 5.366 1.037 5.161 1.00 0.00 C ATOM 644 O TYR A 45 5.097 2.223 4.982 1.00 0.00 O ATOM 645 CB TYR A 45 7.477 0.248 6.220 1.00 0.00 C ATOM 646 CG TYR A 45 8.226 1.319 5.425 1.00 0.00 C ATOM 647 CD1 TYR A 45 8.226 2.628 5.863 1.00 0.00 C ATOM 648 CD2 TYR A 45 8.900 0.977 4.271 1.00 0.00 C ATOM 649 CE1 TYR A 45 8.931 3.636 5.115 1.00 0.00 C ATOM 650 CE2 TYR A 45 9.605 1.986 3.522 1.00 0.00 C ATOM 651 CZ TYR A 45 9.586 3.266 3.982 1.00 0.00 C ATOM 652 OH TYR A 45 10.251 4.218 3.275 1.00 0.00 O ATOM 0 H TYR A 45 6.056 -1.375 7.238 1.00 0.00 H new ATOM 0 HA TYR A 45 5.874 1.372 7.204 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.976 0.106 7.179 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.541 -0.699 5.684 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.698 2.896 6.766 1.00 0.00 H new ATOM 0 HD2 TYR A 45 8.899 -0.047 3.929 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.940 4.664 5.446 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.136 1.732 2.617 1.00 0.00 H new ATOM 0 HH TYR A 45 10.593 4.901 3.888 1.00 0.00 H new ATOM 662 N ALA A 46 5.139 0.075 4.278 1.00 0.00 N ATOM 663 CA ALA A 46 4.537 0.368 2.989 1.00 0.00 C ATOM 664 C ALA A 46 3.191 1.062 3.207 1.00 0.00 C ATOM 665 O ALA A 46 2.964 2.157 2.695 1.00 0.00 O ATOM 666 CB ALA A 46 4.403 -0.924 2.182 1.00 0.00 C ATOM 0 H ALA A 46 5.362 -0.909 4.431 1.00 0.00 H new ATOM 0 HA ALA A 46 5.169 1.046 2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.951 -0.704 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.389 -1.362 2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.773 -1.628 2.725 1.00 0.00 H new ATOM 672 N TRP A 47 2.333 0.396 3.965 1.00 0.00 N ATOM 673 CA TRP A 47 1.015 0.935 4.256 1.00 0.00 C ATOM 674 C TRP A 47 1.199 2.297 4.927 1.00 0.00 C ATOM 675 O TRP A 47 0.384 3.199 4.743 1.00 0.00 O ATOM 676 CB TRP A 47 0.198 -0.044 5.102 1.00 0.00 C ATOM 677 CG TRP A 47 -1.146 0.515 5.574 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.614 0.588 6.828 1.00 0.00 C ATOM 679 CD2 TRP A 47 -2.182 1.079 4.743 1.00 0.00 C ATOM 680 NE1 TRP A 47 -2.871 1.156 6.865 1.00 0.00 N ATOM 681 CE2 TRP A 47 -3.228 1.464 5.557 1.00 0.00 C ATOM 682 CE3 TRP A 47 -2.234 1.258 3.350 1.00 0.00 C ATOM 683 CZ2 TRP A 47 -4.402 2.052 5.071 1.00 0.00 C ATOM 684 CZ3 TRP A 47 -3.414 1.846 2.879 1.00 0.00 C ATOM 685 CH2 TRP A 47 -4.476 2.240 3.686 1.00 0.00 C ATOM 0 H TRP A 47 2.525 -0.513 4.387 1.00 0.00 H new ATOM 0 HA TRP A 47 0.443 1.074 3.339 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.020 -0.949 4.522 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.786 -0.334 5.973 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -1.075 0.246 7.699 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.435 1.320 7.699 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.427 0.965 2.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.207 2.345 5.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.506 2.005 1.815 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.354 2.689 3.246 1.00 0.00 H new ATOM 696 N CYS A 48 2.277 2.404 5.692 1.00 0.00 N ATOM 697 CA CYS A 48 2.578 3.640 6.392 1.00 0.00 C ATOM 698 C CYS A 48 2.977 4.694 5.356 1.00 0.00 C ATOM 699 O CYS A 48 2.713 5.881 5.539 1.00 0.00 O ATOM 700 CB CYS A 48 3.665 3.441 7.450 1.00 0.00 C ATOM 701 SG CYS A 48 2.903 2.993 9.053 1.00 0.00 S ATOM 0 H CYS A 48 2.952 1.654 5.842 1.00 0.00 H new ATOM 0 HA CYS A 48 1.694 3.979 6.933 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.353 2.657 7.133 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.250 4.354 7.559 1.00 0.00 H new ATOM 0 HG CYS A 48 3.487 1.934 9.530 1.00 0.00 H new ATOM 707 N LEU A 49 3.606 4.220 4.290 1.00 0.00 N ATOM 708 CA LEU A 49 4.043 5.106 3.225 1.00 0.00 C ATOM 709 C LEU A 49 2.820 5.638 2.475 1.00 0.00 C ATOM 710 O LEU A 49 2.587 6.845 2.436 1.00 0.00 O ATOM 711 CB LEU A 49 5.059 4.401 2.324 1.00 0.00 C ATOM 712 CG LEU A 49 6.494 4.337 2.852 1.00 0.00 C ATOM 713 CD1 LEU A 49 7.386 3.518 1.917 1.00 0.00 C ATOM 714 CD2 LEU A 49 7.052 5.741 3.093 1.00 0.00 C ATOM 0 H LEU A 49 3.823 3.234 4.141 1.00 0.00 H new ATOM 0 HA LEU A 49 4.564 5.970 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.713 3.383 2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.071 4.906 1.358 1.00 0.00 H new ATOM 0 HG LEU A 49 6.482 3.826 3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.400 3.488 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.997 2.503 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.397 3.979 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.073 5.667 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.049 6.300 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.433 6.258 3.826 1.00 0.00 H new ATOM 726 N VAL A 50 2.071 4.710 1.897 1.00 0.00 N ATOM 727 CA VAL A 50 0.878 5.070 1.150 1.00 0.00 C ATOM 728 C VAL A 50 0.015 6.008 1.996 1.00 0.00 C ATOM 729 O VAL A 50 -0.619 6.919 1.468 1.00 0.00 O ATOM 730 CB VAL A 50 0.135 3.807 0.711 1.00 0.00 C ATOM 731 CG1 VAL A 50 0.880 3.099 -0.424 1.00 0.00 C ATOM 732 CG2 VAL A 50 -0.087 2.862 1.894 1.00 0.00 C ATOM 0 H VAL A 50 2.267 3.710 1.931 1.00 0.00 H new ATOM 0 HA VAL A 50 1.145 5.607 0.240 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.843 4.108 0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.331 2.204 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.963 3.770 -1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.877 2.818 -0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.617 1.972 1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.876 2.572 2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.678 3.367 2.657 1.00 0.00 H new ATOM 742 N ARG A 51 0.019 5.751 3.296 1.00 0.00 N ATOM 743 CA ARG A 51 -0.756 6.561 4.221 1.00 0.00 C ATOM 744 C ARG A 51 -0.122 7.945 4.373 1.00 0.00 C ATOM 745 O ARG A 51 -0.803 8.907 4.726 1.00 0.00 O ATOM 746 CB ARG A 51 -0.844 5.894 5.595 1.00 0.00 C ATOM 747 CG ARG A 51 -2.065 4.975 5.681 1.00 0.00 C ATOM 748 CD ARG A 51 -1.944 4.012 6.864 1.00 0.00 C ATOM 749 NE ARG A 51 -1.624 4.764 8.098 1.00 0.00 N ATOM 750 CZ ARG A 51 -1.556 4.213 9.316 1.00 0.00 C ATOM 751 NH1 ARG A 51 -1.785 2.902 9.473 1.00 0.00 N ATOM 752 NH2 ARG A 51 -1.260 4.972 10.380 1.00 0.00 N ATOM 0 H ARG A 51 0.546 4.994 3.731 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.762 6.661 3.813 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.063 5.319 5.783 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.904 6.657 6.371 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.969 5.575 5.786 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.164 4.409 4.755 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.877 3.464 6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.166 3.275 6.665 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.444 5.765 8.015 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.011 2.323 8.664 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.733 2.483 10.401 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.086 5.970 10.262 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.208 4.552 11.308 1.00 0.00 H new ATOM 766 N SER A 52 1.174 8.002 4.101 1.00 0.00 N ATOM 767 CA SER A 52 1.906 9.252 4.203 1.00 0.00 C ATOM 768 C SER A 52 1.072 10.396 3.624 1.00 0.00 C ATOM 769 O SER A 52 0.107 10.160 2.899 1.00 0.00 O ATOM 770 CB SER A 52 3.254 9.161 3.485 1.00 0.00 C ATOM 771 OG SER A 52 4.112 10.249 3.820 1.00 0.00 O ATOM 0 H SER A 52 1.735 7.202 3.810 1.00 0.00 H new ATOM 0 HA SER A 52 2.099 9.450 5.257 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.741 8.221 3.746 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.091 9.147 2.407 1.00 0.00 H new ATOM 0 HG SER A 52 4.963 10.154 3.343 1.00 0.00 H new ATOM 777 N LYS A 53 1.474 11.611 3.966 1.00 0.00 N ATOM 778 CA LYS A 53 0.775 12.793 3.489 1.00 0.00 C ATOM 779 C LYS A 53 1.335 13.193 2.122 1.00 0.00 C ATOM 780 O LYS A 53 0.749 14.020 1.425 1.00 0.00 O ATOM 781 CB LYS A 53 0.841 13.911 4.531 1.00 0.00 C ATOM 782 CG LYS A 53 2.289 14.312 4.816 1.00 0.00 C ATOM 783 CD LYS A 53 2.570 15.735 4.330 1.00 0.00 C ATOM 784 CE LYS A 53 2.750 16.692 5.510 1.00 0.00 C ATOM 785 NZ LYS A 53 1.493 17.426 5.778 1.00 0.00 N ATOM 0 H LYS A 53 2.275 11.803 4.568 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.285 12.580 3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.284 14.777 4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.363 13.581 5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.485 14.244 5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.967 13.615 4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.468 15.741 3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.748 16.077 3.702 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.048 16.133 6.397 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.552 17.398 5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.632 18.071 6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.225 17.975 4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.737 16.749 6.005 1.00 0.00 H new ATOM 799 N TYR A 54 2.463 12.588 1.778 1.00 0.00 N ATOM 800 CA TYR A 54 3.107 12.871 0.507 1.00 0.00 C ATOM 801 C TYR A 54 2.739 11.819 -0.540 1.00 0.00 C ATOM 802 O TYR A 54 2.293 10.725 -0.197 1.00 0.00 O ATOM 803 CB TYR A 54 4.612 12.804 0.774 1.00 0.00 C ATOM 804 CG TYR A 54 5.234 14.144 1.170 1.00 0.00 C ATOM 805 CD1 TYR A 54 5.092 14.617 2.458 1.00 0.00 C ATOM 806 CD2 TYR A 54 5.938 14.880 0.238 1.00 0.00 C ATOM 807 CE1 TYR A 54 5.678 15.879 2.831 1.00 0.00 C ATOM 808 CE2 TYR A 54 6.524 16.142 0.611 1.00 0.00 C ATOM 809 CZ TYR A 54 6.365 16.579 1.889 1.00 0.00 C ATOM 810 OH TYR A 54 6.918 17.771 2.242 1.00 0.00 O ATOM 0 H TYR A 54 2.947 11.903 2.358 1.00 0.00 H new ATOM 0 HA TYR A 54 2.793 13.842 0.125 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.798 12.080 1.568 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.113 12.433 -0.120 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.541 14.041 3.187 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.049 14.510 -0.770 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.574 16.261 3.836 1.00 0.00 H new ATOM 0 HE2 TYR A 54 7.077 16.728 -0.108 1.00 0.00 H new ATOM 0 HH TYR A 54 7.379 18.159 1.469 1.00 0.00 H new ATOM 820 N ASN A 55 2.940 12.186 -1.798 1.00 0.00 N ATOM 821 CA ASN A 55 2.635 11.287 -2.898 1.00 0.00 C ATOM 822 C ASN A 55 3.917 10.580 -3.343 1.00 0.00 C ATOM 823 O ASN A 55 3.874 9.438 -3.799 1.00 0.00 O ATOM 824 CB ASN A 55 2.078 12.055 -4.098 1.00 0.00 C ATOM 825 CG ASN A 55 0.750 12.731 -3.748 1.00 0.00 C ATOM 826 OD1 ASN A 55 -0.256 12.088 -3.496 1.00 0.00 O ATOM 827 ND2 ASN A 55 0.804 14.059 -3.747 1.00 0.00 N ATOM 0 H ASN A 55 3.310 13.094 -2.079 1.00 0.00 H new ATOM 0 HA ASN A 55 1.891 10.570 -2.552 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.799 12.806 -4.420 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.933 11.373 -4.936 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.030 14.603 -3.526 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.679 14.534 -3.967 1.00 0.00 H new ATOM 834 N GLU A 56 5.027 11.288 -3.195 1.00 0.00 N ATOM 835 CA GLU A 56 6.318 10.742 -3.577 1.00 0.00 C ATOM 836 C GLU A 56 6.689 9.569 -2.667 1.00 0.00 C ATOM 837 O GLU A 56 7.597 8.800 -2.978 1.00 0.00 O ATOM 838 CB GLU A 56 7.401 11.822 -3.546 1.00 0.00 C ATOM 839 CG GLU A 56 7.548 12.492 -4.914 1.00 0.00 C ATOM 840 CD GLU A 56 8.894 13.208 -5.032 1.00 0.00 C ATOM 841 OE1 GLU A 56 8.959 14.373 -4.586 1.00 0.00 O ATOM 842 OE2 GLU A 56 9.829 12.573 -5.568 1.00 0.00 O ATOM 0 H GLU A 56 5.059 12.234 -2.816 1.00 0.00 H new ATOM 0 HA GLU A 56 6.246 10.374 -4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.151 12.571 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.352 11.380 -3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.460 11.743 -5.701 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.738 13.206 -5.062 1.00 0.00 H new ATOM 849 N ASP A 57 5.965 9.468 -1.562 1.00 0.00 N ATOM 850 CA ASP A 57 6.206 8.401 -0.605 1.00 0.00 C ATOM 851 C ASP A 57 5.199 7.273 -0.841 1.00 0.00 C ATOM 852 O ASP A 57 5.433 6.134 -0.441 1.00 0.00 O ATOM 853 CB ASP A 57 6.030 8.899 0.831 1.00 0.00 C ATOM 854 CG ASP A 57 6.991 10.013 1.251 1.00 0.00 C ATOM 855 OD1 ASP A 57 7.314 10.844 0.376 1.00 0.00 O ATOM 856 OD2 ASP A 57 7.379 10.008 2.439 1.00 0.00 O ATOM 0 H ASP A 57 5.212 10.107 -1.308 1.00 0.00 H new ATOM 0 HA ASP A 57 7.229 8.050 -0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.008 9.257 0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.156 8.056 1.510 1.00 0.00 H new ATOM 861 N ILE A 58 4.100 7.630 -1.489 1.00 0.00 N ATOM 862 CA ILE A 58 3.057 6.662 -1.783 1.00 0.00 C ATOM 863 C ILE A 58 3.636 5.542 -2.651 1.00 0.00 C ATOM 864 O ILE A 58 3.573 4.371 -2.282 1.00 0.00 O ATOM 865 CB ILE A 58 1.842 7.355 -2.403 1.00 0.00 C ATOM 866 CG1 ILE A 58 0.945 7.961 -1.321 1.00 0.00 C ATOM 867 CG2 ILE A 58 1.073 6.400 -3.317 1.00 0.00 C ATOM 868 CD1 ILE A 58 -0.140 8.844 -1.941 1.00 0.00 C ATOM 0 H ILE A 58 3.909 8.576 -1.819 1.00 0.00 H new ATOM 0 HA ILE A 58 2.697 6.200 -0.864 1.00 0.00 H new ATOM 0 HB ILE A 58 2.198 8.177 -3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.482 7.164 -0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.549 8.551 -0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.214 6.918 -3.745 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.727 6.058 -4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.729 5.542 -2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.764 9.263 -1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.326 9.654 -2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.757 8.246 -2.612 1.00 0.00 H new ATOM 880 N ARG A 59 4.187 5.943 -3.787 1.00 0.00 N ATOM 881 CA ARG A 59 4.776 4.988 -4.711 1.00 0.00 C ATOM 882 C ARG A 59 5.710 4.035 -3.963 1.00 0.00 C ATOM 883 O ARG A 59 5.712 2.832 -4.220 1.00 0.00 O ATOM 884 CB ARG A 59 5.562 5.702 -5.813 1.00 0.00 C ATOM 885 CG ARG A 59 5.838 4.759 -6.986 1.00 0.00 C ATOM 886 CD ARG A 59 6.887 5.350 -7.929 1.00 0.00 C ATOM 887 NE ARG A 59 6.281 5.629 -9.251 1.00 0.00 N ATOM 888 CZ ARG A 59 5.595 6.743 -9.542 1.00 0.00 C ATOM 889 NH1 ARG A 59 5.425 7.689 -8.609 1.00 0.00 N ATOM 890 NH2 ARG A 59 5.080 6.910 -10.768 1.00 0.00 N ATOM 0 H ARG A 59 4.238 6.916 -4.089 1.00 0.00 H new ATOM 0 HA ARG A 59 3.964 4.423 -5.168 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.001 6.569 -6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.504 6.074 -5.411 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.183 3.796 -6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.914 4.574 -7.534 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.293 6.268 -7.505 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.720 4.656 -8.041 1.00 0.00 H new ATOM 0 HE ARG A 59 6.393 4.930 -9.986 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.818 7.562 -7.676 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.903 8.537 -8.831 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.210 6.190 -11.478 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.558 7.757 -10.991 1.00 0.00 H new ATOM 904 N ARG A 60 6.484 4.607 -3.053 1.00 0.00 N ATOM 905 CA ARG A 60 7.421 3.824 -2.266 1.00 0.00 C ATOM 906 C ARG A 60 6.697 2.664 -1.580 1.00 0.00 C ATOM 907 O ARG A 60 7.303 1.633 -1.291 1.00 0.00 O ATOM 908 CB ARG A 60 8.107 4.688 -1.205 1.00 0.00 C ATOM 909 CG ARG A 60 9.486 5.148 -1.682 1.00 0.00 C ATOM 910 CD ARG A 60 9.559 6.675 -1.756 1.00 0.00 C ATOM 911 NE ARG A 60 10.891 7.095 -2.244 1.00 0.00 N ATOM 912 CZ ARG A 60 11.998 7.111 -1.488 1.00 0.00 C ATOM 913 NH1 ARG A 60 11.938 6.730 -0.205 1.00 0.00 N ATOM 914 NH2 ARG A 60 13.163 7.507 -2.016 1.00 0.00 N ATOM 0 H ARG A 60 6.481 5.605 -2.843 1.00 0.00 H new ATOM 0 HA ARG A 60 8.179 3.433 -2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.487 5.556 -0.981 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.208 4.122 -0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.253 4.776 -1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.696 4.722 -2.663 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.783 7.053 -2.422 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.371 7.104 -0.772 1.00 0.00 H new ATOM 0 HE ARG A 60 10.972 7.391 -3.217 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.050 6.428 0.196 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.780 6.742 0.370 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.208 7.796 -2.993 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.005 7.519 -1.441 1.00 0.00 H new ATOM 928 N GLY A 61 5.411 2.870 -1.338 1.00 0.00 N ATOM 929 CA GLY A 61 4.599 1.855 -0.691 1.00 0.00 C ATOM 930 C GLY A 61 3.950 0.931 -1.725 1.00 0.00 C ATOM 931 O GLY A 61 3.459 -0.144 -1.381 1.00 0.00 O ATOM 0 H GLY A 61 4.911 3.726 -1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.217 1.269 -0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.826 2.332 -0.088 1.00 0.00 H new ATOM 935 N ILE A 62 3.969 1.383 -2.970 1.00 0.00 N ATOM 936 CA ILE A 62 3.389 0.611 -4.056 1.00 0.00 C ATOM 937 C ILE A 62 4.311 -0.563 -4.391 1.00 0.00 C ATOM 938 O ILE A 62 3.869 -1.709 -4.443 1.00 0.00 O ATOM 939 CB ILE A 62 3.084 1.515 -5.252 1.00 0.00 C ATOM 940 CG1 ILE A 62 2.088 2.612 -4.871 1.00 0.00 C ATOM 941 CG2 ILE A 62 2.602 0.694 -6.450 1.00 0.00 C ATOM 942 CD1 ILE A 62 1.739 3.480 -6.081 1.00 0.00 C ATOM 0 H ILE A 62 4.377 2.275 -3.251 1.00 0.00 H new ATOM 0 HA ILE A 62 2.431 0.188 -3.754 1.00 0.00 H new ATOM 0 HB ILE A 62 4.008 2.010 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.181 2.161 -4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.511 3.234 -4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.392 1.360 -7.287 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.376 -0.018 -6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.695 0.154 -6.180 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.029 4.252 -5.783 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.645 3.949 -6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.294 2.859 -6.858 1.00 0.00 H new ATOM 954 N VAL A 63 5.577 -0.236 -4.609 1.00 0.00 N ATOM 955 CA VAL A 63 6.566 -1.249 -4.937 1.00 0.00 C ATOM 956 C VAL A 63 6.447 -2.410 -3.949 1.00 0.00 C ATOM 957 O VAL A 63 6.253 -3.556 -4.352 1.00 0.00 O ATOM 958 CB VAL A 63 7.963 -0.626 -4.965 1.00 0.00 C ATOM 959 CG1 VAL A 63 8.117 0.325 -6.153 1.00 0.00 C ATOM 960 CG2 VAL A 63 8.271 0.089 -3.648 1.00 0.00 C ATOM 0 H VAL A 63 5.940 0.716 -4.565 1.00 0.00 H new ATOM 0 HA VAL A 63 6.385 -1.652 -5.934 1.00 0.00 H new ATOM 0 HB VAL A 63 8.686 -1.433 -5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.119 0.754 -6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.962 -0.224 -7.081 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.380 1.125 -6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.270 0.523 -3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.539 0.880 -3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.224 -0.626 -2.826 1.00 0.00 H new ATOM 970 N LEU A 64 6.571 -2.074 -2.673 1.00 0.00 N ATOM 971 CA LEU A 64 6.481 -3.075 -1.623 1.00 0.00 C ATOM 972 C LEU A 64 5.184 -3.870 -1.793 1.00 0.00 C ATOM 973 O LEU A 64 5.217 -5.053 -2.128 1.00 0.00 O ATOM 974 CB LEU A 64 6.627 -2.423 -0.247 1.00 0.00 C ATOM 975 CG LEU A 64 7.663 -1.302 -0.142 1.00 0.00 C ATOM 976 CD1 LEU A 64 7.869 -0.880 1.314 1.00 0.00 C ATOM 977 CD2 LEU A 64 8.977 -1.705 -0.813 1.00 0.00 C ATOM 0 H LEU A 64 6.733 -1.123 -2.343 1.00 0.00 H new ATOM 0 HA LEU A 64 7.304 -3.785 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.657 -2.023 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.885 -3.198 0.475 1.00 0.00 H new ATOM 0 HG LEU A 64 7.281 -0.433 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.610 -0.082 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.925 -0.523 1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.219 -1.734 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.696 -0.890 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.376 -2.595 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.797 -1.917 -1.867 1.00 0.00 H new ATOM 989 N LEU A 65 4.075 -3.188 -1.553 1.00 0.00 N ATOM 990 CA LEU A 65 2.769 -3.816 -1.675 1.00 0.00 C ATOM 991 C LEU A 65 2.687 -4.556 -3.012 1.00 0.00 C ATOM 992 O LEU A 65 1.923 -5.510 -3.151 1.00 0.00 O ATOM 993 CB LEU A 65 1.658 -2.784 -1.475 1.00 0.00 C ATOM 994 CG LEU A 65 1.451 -2.291 -0.041 1.00 0.00 C ATOM 995 CD1 LEU A 65 0.797 -0.908 -0.026 1.00 0.00 C ATOM 996 CD2 LEU A 65 0.658 -3.309 0.780 1.00 0.00 C ATOM 0 H LEU A 65 4.052 -2.207 -1.275 1.00 0.00 H new ATOM 0 HA LEU A 65 2.628 -4.559 -0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.872 -1.922 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.721 -3.215 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 65 2.429 -2.190 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.661 -0.581 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.436 -0.198 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.173 -0.959 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.525 -2.934 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.318 -3.466 0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.201 -4.254 0.811 1.00 0.00 H new ATOM 1008 N GLU A 66 3.485 -4.089 -3.960 1.00 0.00 N ATOM 1009 CA GLU A 66 3.513 -4.695 -5.281 1.00 0.00 C ATOM 1010 C GLU A 66 4.389 -5.950 -5.271 1.00 0.00 C ATOM 1011 O GLU A 66 4.114 -6.909 -5.991 1.00 0.00 O ATOM 1012 CB GLU A 66 3.999 -3.696 -6.333 1.00 0.00 C ATOM 1013 CG GLU A 66 2.840 -2.848 -6.859 1.00 0.00 C ATOM 1014 CD GLU A 66 3.276 -2.012 -8.066 1.00 0.00 C ATOM 1015 OE1 GLU A 66 4.334 -2.352 -8.638 1.00 0.00 O ATOM 1016 OE2 GLU A 66 2.541 -1.054 -8.388 1.00 0.00 O ATOM 0 H GLU A 66 4.118 -3.298 -3.840 1.00 0.00 H new ATOM 0 HA GLU A 66 2.497 -4.987 -5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.761 -3.048 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.467 -4.231 -7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.010 -3.495 -7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.477 -2.191 -6.069 1.00 0.00 H new ATOM 1023 N GLU A 67 5.424 -5.904 -4.446 1.00 0.00 N ATOM 1024 CA GLU A 67 6.341 -7.025 -4.332 1.00 0.00 C ATOM 1025 C GLU A 67 5.854 -8.004 -3.262 1.00 0.00 C ATOM 1026 O GLU A 67 6.282 -9.156 -3.228 1.00 0.00 O ATOM 1027 CB GLU A 67 7.761 -6.544 -4.029 1.00 0.00 C ATOM 1028 CG GLU A 67 8.565 -6.359 -5.318 1.00 0.00 C ATOM 1029 CD GLU A 67 9.629 -7.450 -5.461 1.00 0.00 C ATOM 1030 OE1 GLU A 67 10.137 -7.889 -4.408 1.00 0.00 O ATOM 1031 OE2 GLU A 67 9.908 -7.820 -6.622 1.00 0.00 O ATOM 0 H GLU A 67 5.648 -5.107 -3.850 1.00 0.00 H new ATOM 0 HA GLU A 67 6.366 -7.546 -5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.721 -5.601 -3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.263 -7.265 -3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.894 -6.385 -6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.042 -5.379 -5.316 1.00 0.00 H new ATOM 1038 N LEU A 68 4.965 -7.509 -2.414 1.00 0.00 N ATOM 1039 CA LEU A 68 4.414 -8.324 -1.345 1.00 0.00 C ATOM 1040 C LEU A 68 3.271 -9.177 -1.897 1.00 0.00 C ATOM 1041 O LEU A 68 2.913 -10.198 -1.311 1.00 0.00 O ATOM 1042 CB LEU A 68 4.011 -7.449 -0.157 1.00 0.00 C ATOM 1043 CG LEU A 68 5.148 -6.997 0.762 1.00 0.00 C ATOM 1044 CD1 LEU A 68 4.617 -6.138 1.911 1.00 0.00 C ATOM 1045 CD2 LEU A 68 5.954 -8.196 1.267 1.00 0.00 C ATOM 0 H LEU A 68 4.612 -6.552 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 68 5.169 -9.011 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.506 -6.562 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.283 -7.997 0.441 1.00 0.00 H new ATOM 0 HG LEU A 68 5.828 -6.373 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.446 -5.830 2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.123 -5.254 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.903 -6.716 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.756 -7.847 1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.299 -8.866 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.382 -8.730 0.419 1.00 0.00 H new ATOM 1057 N LEU A 69 2.728 -8.727 -3.020 1.00 0.00 N ATOM 1058 CA LEU A 69 1.633 -9.436 -3.658 1.00 0.00 C ATOM 1059 C LEU A 69 1.957 -10.931 -3.704 1.00 0.00 C ATOM 1060 O LEU A 69 1.248 -11.742 -3.108 1.00 0.00 O ATOM 1061 CB LEU A 69 1.329 -8.830 -5.029 1.00 0.00 C ATOM 1062 CG LEU A 69 -0.010 -8.102 -5.159 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -1.134 -8.898 -4.493 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.085 -6.677 -4.611 1.00 0.00 C ATOM 0 H LEU A 69 3.027 -7.880 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 69 0.718 -9.326 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.126 -8.130 -5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.360 -9.627 -5.771 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.255 -8.024 -6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.075 -8.358 -4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.220 -9.875 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.909 -9.029 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.880 -6.182 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.364 -6.710 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.840 -6.122 -5.169 1.00 0.00 H new ATOM 1076 N PRO A 70 3.055 -11.259 -4.436 1.00 0.00 N ATOM 1077 CA PRO A 70 3.481 -12.642 -4.568 1.00 0.00 C ATOM 1078 C PRO A 70 4.148 -13.135 -3.282 1.00 0.00 C ATOM 1079 O PRO A 70 4.103 -14.324 -2.972 1.00 0.00 O ATOM 1080 CB PRO A 70 4.417 -12.653 -5.765 1.00 0.00 C ATOM 1081 CG PRO A 70 4.845 -11.208 -5.973 1.00 0.00 C ATOM 1082 CD PRO A 70 3.916 -10.326 -5.155 1.00 0.00 C ATOM 0 HA PRO A 70 2.647 -13.326 -4.726 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.280 -13.293 -5.580 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.914 -13.043 -6.650 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.879 -11.067 -5.660 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.793 -10.942 -7.029 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.476 -9.693 -4.466 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.334 -9.663 -5.795 1.00 0.00 H new ATOM 1090 N LYS A 71 4.752 -12.196 -2.569 1.00 0.00 N ATOM 1091 CA LYS A 71 5.428 -12.519 -1.324 1.00 0.00 C ATOM 1092 C LYS A 71 4.426 -12.440 -0.170 1.00 0.00 C ATOM 1093 O LYS A 71 4.690 -11.792 0.841 1.00 0.00 O ATOM 1094 CB LYS A 71 6.656 -11.628 -1.134 1.00 0.00 C ATOM 1095 CG LYS A 71 7.620 -11.765 -2.315 1.00 0.00 C ATOM 1096 CD LYS A 71 9.002 -11.207 -1.962 1.00 0.00 C ATOM 1097 CE LYS A 71 9.795 -10.872 -3.225 1.00 0.00 C ATOM 1098 NZ LYS A 71 10.638 -12.019 -3.629 1.00 0.00 N ATOM 0 H LYS A 71 4.787 -11.211 -2.830 1.00 0.00 H new ATOM 0 HA LYS A 71 5.806 -13.541 -1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.344 -10.589 -1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.167 -11.898 -0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.709 -12.814 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.220 -11.235 -3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.891 -10.312 -1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.551 -11.936 -1.366 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.111 -10.614 -4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.421 -9.998 -3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.169 -11.773 -4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.304 -12.247 -2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.034 -12.844 -3.819 1.00 0.00 H new ATOM 1112 N GLY A 72 3.299 -13.109 -0.360 1.00 0.00 N ATOM 1113 CA GLY A 72 2.257 -13.123 0.653 1.00 0.00 C ATOM 1114 C GLY A 72 1.186 -14.165 0.324 1.00 0.00 C ATOM 1115 O GLY A 72 1.091 -14.626 -0.813 1.00 0.00 O ATOM 0 H GLY A 72 3.084 -13.646 -1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.695 -13.341 1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.800 -12.136 0.723 1.00 0.00 H new ATOM 1119 N SER A 73 0.406 -14.507 1.339 1.00 0.00 N ATOM 1120 CA SER A 73 -0.654 -15.486 1.173 1.00 0.00 C ATOM 1121 C SER A 73 -1.767 -14.907 0.297 1.00 0.00 C ATOM 1122 O SER A 73 -1.649 -13.791 -0.207 1.00 0.00 O ATOM 1123 CB SER A 73 -1.217 -15.924 2.526 1.00 0.00 C ATOM 1124 OG SER A 73 -0.441 -16.964 3.115 1.00 0.00 O ATOM 0 H SER A 73 0.487 -14.123 2.280 1.00 0.00 H new ATOM 0 HA SER A 73 -0.234 -16.365 0.684 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.248 -15.068 3.200 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.244 -16.266 2.398 1.00 0.00 H new ATOM 0 HG SER A 73 -0.832 -17.215 3.978 1.00 0.00 H new ATOM 1130 N LYS A 74 -2.823 -15.692 0.143 1.00 0.00 N ATOM 1131 CA LYS A 74 -3.957 -15.273 -0.663 1.00 0.00 C ATOM 1132 C LYS A 74 -4.747 -14.203 0.093 1.00 0.00 C ATOM 1133 O LYS A 74 -5.121 -13.180 -0.479 1.00 0.00 O ATOM 1134 CB LYS A 74 -4.799 -16.482 -1.076 1.00 0.00 C ATOM 1135 CG LYS A 74 -4.688 -16.739 -2.579 1.00 0.00 C ATOM 1136 CD LYS A 74 -3.389 -17.472 -2.918 1.00 0.00 C ATOM 1137 CE LYS A 74 -2.715 -16.856 -4.145 1.00 0.00 C ATOM 1138 NZ LYS A 74 -1.407 -17.502 -4.397 1.00 0.00 N ATOM 0 H LYS A 74 -2.917 -16.617 0.563 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.615 -14.820 -1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.469 -17.364 -0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.842 -16.312 -0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.541 -17.330 -2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.726 -15.792 -3.117 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.710 -17.429 -2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.600 -18.525 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.358 -16.972 -5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.575 -15.786 -3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.963 -17.072 -5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.790 -17.370 -3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.548 -18.519 -4.564 1.00 0.00 H new ATOM 1152 N GLU A 75 -4.977 -14.475 1.369 1.00 0.00 N ATOM 1153 CA GLU A 75 -5.715 -13.548 2.211 1.00 0.00 C ATOM 1154 C GLU A 75 -4.840 -12.348 2.574 1.00 0.00 C ATOM 1155 O GLU A 75 -5.345 -11.318 3.019 1.00 0.00 O ATOM 1156 CB GLU A 75 -6.238 -14.246 3.468 1.00 0.00 C ATOM 1157 CG GLU A 75 -5.099 -14.917 4.236 1.00 0.00 C ATOM 1158 CD GLU A 75 -5.310 -14.798 5.746 1.00 0.00 C ATOM 1159 OE1 GLU A 75 -6.103 -15.607 6.275 1.00 0.00 O ATOM 1160 OE2 GLU A 75 -4.675 -13.900 6.339 1.00 0.00 O ATOM 0 H GLU A 75 -4.665 -15.324 1.841 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.577 -13.187 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.737 -13.520 4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.983 -14.992 3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.037 -15.969 3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.150 -14.457 3.961 1.00 0.00 H new ATOM 1167 N GLU A 76 -3.542 -12.520 2.372 1.00 0.00 N ATOM 1168 CA GLU A 76 -2.590 -11.464 2.673 1.00 0.00 C ATOM 1169 C GLU A 76 -2.518 -10.468 1.512 1.00 0.00 C ATOM 1170 O GLU A 76 -2.180 -9.303 1.711 1.00 0.00 O ATOM 1171 CB GLU A 76 -1.209 -12.042 2.986 1.00 0.00 C ATOM 1172 CG GLU A 76 -1.116 -12.477 4.450 1.00 0.00 C ATOM 1173 CD GLU A 76 0.132 -11.896 5.117 1.00 0.00 C ATOM 1174 OE1 GLU A 76 1.216 -12.476 4.895 1.00 0.00 O ATOM 1175 OE2 GLU A 76 -0.026 -10.883 5.833 1.00 0.00 O ATOM 0 H GLU A 76 -3.127 -13.376 2.003 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.934 -10.934 3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.012 -12.895 2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.442 -11.296 2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.006 -12.149 4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.091 -13.565 4.509 1.00 0.00 H new ATOM 1182 N GLN A 77 -2.841 -10.966 0.328 1.00 0.00 N ATOM 1183 CA GLN A 77 -2.816 -10.134 -0.864 1.00 0.00 C ATOM 1184 C GLN A 77 -3.975 -9.134 -0.838 1.00 0.00 C ATOM 1185 O GLN A 77 -3.952 -8.134 -1.552 1.00 0.00 O ATOM 1186 CB GLN A 77 -2.860 -10.991 -2.131 1.00 0.00 C ATOM 1187 CG GLN A 77 -1.478 -11.563 -2.453 1.00 0.00 C ATOM 1188 CD GLN A 77 -1.507 -12.366 -3.755 1.00 0.00 C ATOM 1189 OE1 GLN A 77 -2.339 -12.161 -4.623 1.00 0.00 O ATOM 1190 NE2 GLN A 77 -0.554 -13.291 -3.841 1.00 0.00 N ATOM 0 H GLN A 77 -3.121 -11.934 0.168 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.880 -9.575 -0.874 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.573 -11.805 -1.999 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.213 -10.390 -2.969 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.755 -10.751 -2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.145 -12.202 -1.635 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.111 -13.410 -3.077 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.489 -13.881 -4.671 1.00 0.00 H new ATOM 1199 N ARG A 78 -4.961 -9.442 -0.009 1.00 0.00 N ATOM 1200 CA ARG A 78 -6.127 -8.584 0.119 1.00 0.00 C ATOM 1201 C ARG A 78 -5.741 -7.262 0.786 1.00 0.00 C ATOM 1202 O ARG A 78 -6.222 -6.201 0.392 1.00 0.00 O ATOM 1203 CB ARG A 78 -7.223 -9.263 0.944 1.00 0.00 C ATOM 1204 CG ARG A 78 -8.099 -10.153 0.062 1.00 0.00 C ATOM 1205 CD ARG A 78 -7.282 -11.294 -0.548 1.00 0.00 C ATOM 1206 NE ARG A 78 -6.960 -10.987 -1.959 1.00 0.00 N ATOM 1207 CZ ARG A 78 -6.628 -11.910 -2.872 1.00 0.00 C ATOM 1208 NH1 ARG A 78 -6.573 -13.204 -2.527 1.00 0.00 N ATOM 1209 NH2 ARG A 78 -6.350 -11.540 -4.129 1.00 0.00 N ATOM 0 H ARG A 78 -4.977 -10.274 0.581 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.510 -8.392 -0.883 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.770 -9.861 1.735 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.839 -8.506 1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.918 -10.563 0.653 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.546 -9.556 -0.733 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.363 -11.439 0.020 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.843 -12.226 -0.489 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.993 -10.012 -2.255 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.784 -13.486 -1.570 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.320 -13.907 -3.222 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.391 -10.555 -4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.097 -12.243 -4.824 1.00 0.00 H new ATOM 1223 N ASP A 79 -4.877 -7.369 1.785 1.00 0.00 N ATOM 1224 CA ASP A 79 -4.422 -6.195 2.510 1.00 0.00 C ATOM 1225 C ASP A 79 -3.544 -5.343 1.593 1.00 0.00 C ATOM 1226 O ASP A 79 -3.561 -4.116 1.675 1.00 0.00 O ATOM 1227 CB ASP A 79 -3.587 -6.591 3.730 1.00 0.00 C ATOM 1228 CG ASP A 79 -4.302 -6.452 5.076 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -5.494 -6.826 5.126 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -3.641 -5.974 6.023 1.00 0.00 O ATOM 0 H ASP A 79 -4.480 -8.251 2.109 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.301 -5.640 2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.266 -7.626 3.611 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.686 -5.978 3.749 1.00 0.00 H new ATOM 1235 N TYR A 80 -2.796 -6.028 0.739 1.00 0.00 N ATOM 1236 CA TYR A 80 -1.912 -5.349 -0.193 1.00 0.00 C ATOM 1237 C TYR A 80 -2.713 -4.558 -1.231 1.00 0.00 C ATOM 1238 O TYR A 80 -2.650 -3.329 -1.262 1.00 0.00 O ATOM 1239 CB TYR A 80 -1.125 -6.450 -0.906 1.00 0.00 C ATOM 1240 CG TYR A 80 -0.281 -7.318 0.030 1.00 0.00 C ATOM 1241 CD1 TYR A 80 0.034 -6.862 1.294 1.00 0.00 C ATOM 1242 CD2 TYR A 80 0.164 -8.554 -0.390 1.00 0.00 C ATOM 1243 CE1 TYR A 80 0.828 -7.679 2.175 1.00 0.00 C ATOM 1244 CE2 TYR A 80 0.958 -9.370 0.491 1.00 0.00 C ATOM 1245 CZ TYR A 80 1.252 -8.893 1.730 1.00 0.00 C ATOM 1246 OH TYR A 80 2.002 -9.664 2.563 1.00 0.00 O ATOM 0 H TYR A 80 -2.784 -7.046 0.673 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.266 -4.647 0.333 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.823 -7.089 -1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.471 -5.992 -1.648 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.314 -5.894 1.622 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.083 -8.910 -1.379 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.081 -7.336 3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.312 -10.340 0.175 1.00 0.00 H new ATOM 0 HH TYR A 80 2.232 -10.503 2.113 1.00 0.00 H new ATOM 1256 N VAL A 81 -3.446 -5.294 -2.053 1.00 0.00 N ATOM 1257 CA VAL A 81 -4.257 -4.676 -3.087 1.00 0.00 C ATOM 1258 C VAL A 81 -5.013 -3.486 -2.494 1.00 0.00 C ATOM 1259 O VAL A 81 -4.869 -2.357 -2.963 1.00 0.00 O ATOM 1260 CB VAL A 81 -5.183 -5.718 -3.718 1.00 0.00 C ATOM 1261 CG1 VAL A 81 -6.015 -5.103 -4.844 1.00 0.00 C ATOM 1262 CG2 VAL A 81 -4.388 -6.925 -4.222 1.00 0.00 C ATOM 0 H VAL A 81 -3.495 -6.312 -2.024 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.626 -4.293 -3.889 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.869 -6.066 -2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.664 -5.865 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.624 -4.291 -4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.351 -4.713 -5.616 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.070 -7.650 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.667 -6.599 -4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.860 -7.387 -3.388 1.00 0.00 H new ATOM 1272 N PHE A 82 -5.805 -3.778 -1.472 1.00 0.00 N ATOM 1273 CA PHE A 82 -6.584 -2.746 -0.810 1.00 0.00 C ATOM 1274 C PHE A 82 -5.798 -1.436 -0.724 1.00 0.00 C ATOM 1275 O PHE A 82 -6.351 -0.360 -0.944 1.00 0.00 O ATOM 1276 CB PHE A 82 -6.877 -3.246 0.606 1.00 0.00 C ATOM 1277 CG PHE A 82 -7.662 -2.254 1.467 1.00 0.00 C ATOM 1278 CD1 PHE A 82 -8.693 -1.551 0.924 1.00 0.00 C ATOM 1279 CD2 PHE A 82 -7.329 -2.074 2.773 1.00 0.00 C ATOM 1280 CE1 PHE A 82 -9.420 -0.629 1.723 1.00 0.00 C ATOM 1281 CE2 PHE A 82 -8.057 -1.153 3.571 1.00 0.00 C ATOM 1282 CZ PHE A 82 -9.087 -0.450 3.029 1.00 0.00 C ATOM 0 H PHE A 82 -5.924 -4.715 -1.087 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.499 -2.553 -1.370 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.438 -4.179 0.542 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.934 -3.474 1.102 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.958 -1.694 -0.113 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.510 -2.632 3.203 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.238 -0.070 1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.793 -1.011 4.608 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.641 0.251 3.636 1.00 0.00 H new ATOM 1292 N TYR A 83 -4.520 -1.571 -0.401 1.00 0.00 N ATOM 1293 CA TYR A 83 -3.652 -0.411 -0.282 1.00 0.00 C ATOM 1294 C TYR A 83 -3.130 0.026 -1.653 1.00 0.00 C ATOM 1295 O TYR A 83 -3.251 1.191 -2.024 1.00 0.00 O ATOM 1296 CB TYR A 83 -2.470 -0.855 0.582 1.00 0.00 C ATOM 1297 CG TYR A 83 -2.824 -1.070 2.056 1.00 0.00 C ATOM 1298 CD1 TYR A 83 -4.086 -0.752 2.516 1.00 0.00 C ATOM 1299 CD2 TYR A 83 -1.880 -1.579 2.924 1.00 0.00 C ATOM 1300 CE1 TYR A 83 -4.418 -0.954 3.903 1.00 0.00 C ATOM 1301 CE2 TYR A 83 -2.213 -1.781 4.311 1.00 0.00 C ATOM 1302 CZ TYR A 83 -3.465 -1.459 4.732 1.00 0.00 C ATOM 1303 OH TYR A 83 -3.779 -1.650 6.041 1.00 0.00 O ATOM 0 H TYR A 83 -4.065 -2.465 -0.218 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.193 0.430 0.151 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.065 -1.782 0.177 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.681 -0.106 0.514 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.824 -0.352 1.836 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -0.892 -1.826 2.564 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.402 -0.710 4.276 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.484 -2.179 5.001 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.379 -0.936 6.581 1.00 0.00 H new ATOM 1313 N LEU A 84 -2.560 -0.935 -2.366 1.00 0.00 N ATOM 1314 CA LEU A 84 -2.019 -0.663 -3.687 1.00 0.00 C ATOM 1315 C LEU A 84 -2.949 0.301 -4.427 1.00 0.00 C ATOM 1316 O LEU A 84 -2.488 1.189 -5.141 1.00 0.00 O ATOM 1317 CB LEU A 84 -1.764 -1.971 -4.441 1.00 0.00 C ATOM 1318 CG LEU A 84 -0.300 -2.292 -4.748 1.00 0.00 C ATOM 1319 CD1 LEU A 84 -0.142 -3.742 -5.210 1.00 0.00 C ATOM 1320 CD2 LEU A 84 0.277 -1.302 -5.763 1.00 0.00 C ATOM 0 H LEU A 84 -2.461 -1.901 -2.054 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.049 -0.172 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.181 -2.791 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.313 -1.938 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 84 0.274 -2.182 -3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.908 -3.944 -5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.490 -4.414 -4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.731 -3.903 -6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.319 -1.552 -5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.294 -1.356 -6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.218 -0.291 -5.359 1.00 0.00 H new ATOM 1332 N ALA A 85 -4.242 0.092 -4.231 1.00 0.00 N ATOM 1333 CA ALA A 85 -5.242 0.931 -4.870 1.00 0.00 C ATOM 1334 C ALA A 85 -5.287 2.289 -4.167 1.00 0.00 C ATOM 1335 O ALA A 85 -5.219 3.331 -4.817 1.00 0.00 O ATOM 1336 CB ALA A 85 -6.596 0.219 -4.850 1.00 0.00 C ATOM 0 H ALA A 85 -4.621 -0.647 -3.638 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.983 1.108 -5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.345 0.849 -5.329 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.518 -0.726 -5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.890 0.026 -3.818 1.00 0.00 H new ATOM 1342 N VAL A 86 -5.399 2.233 -2.848 1.00 0.00 N ATOM 1343 CA VAL A 86 -5.455 3.446 -2.049 1.00 0.00 C ATOM 1344 C VAL A 86 -4.292 4.361 -2.439 1.00 0.00 C ATOM 1345 O VAL A 86 -4.482 5.559 -2.644 1.00 0.00 O ATOM 1346 CB VAL A 86 -5.463 3.092 -0.561 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -5.282 4.343 0.300 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -6.745 2.347 -0.183 1.00 0.00 C ATOM 0 H VAL A 86 -5.453 1.367 -2.312 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.378 3.991 -2.245 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.620 2.428 -0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.291 4.064 1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.330 4.816 0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.095 5.041 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.726 2.107 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.608 2.977 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.815 1.426 -0.762 1.00 0.00 H new ATOM 1358 N GLY A 87 -3.114 3.761 -2.531 1.00 0.00 N ATOM 1359 CA GLY A 87 -1.920 4.508 -2.893 1.00 0.00 C ATOM 1360 C GLY A 87 -1.966 4.935 -4.361 1.00 0.00 C ATOM 1361 O GLY A 87 -1.799 6.113 -4.674 1.00 0.00 O ATOM 0 H GLY A 87 -2.960 2.767 -2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.831 5.389 -2.257 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.036 3.896 -2.716 1.00 0.00 H new ATOM 1365 N ASN A 88 -2.191 3.955 -5.224 1.00 0.00 N ATOM 1366 CA ASN A 88 -2.260 4.215 -6.651 1.00 0.00 C ATOM 1367 C ASN A 88 -3.280 5.324 -6.915 1.00 0.00 C ATOM 1368 O ASN A 88 -2.988 6.286 -7.624 1.00 0.00 O ATOM 1369 CB ASN A 88 -2.710 2.968 -7.417 1.00 0.00 C ATOM 1370 CG ASN A 88 -1.507 2.133 -7.859 1.00 0.00 C ATOM 1371 OD1 ASN A 88 -0.615 2.599 -8.550 1.00 0.00 O ATOM 1372 ND2 ASN A 88 -1.531 0.877 -7.424 1.00 0.00 N ATOM 0 H ASN A 88 -2.328 2.979 -4.962 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.266 4.507 -6.988 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.364 2.365 -6.786 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.293 3.263 -8.290 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.772 0.239 -7.665 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.308 0.551 -6.849 1.00 0.00 H new ATOM 1379 N TYR A 89 -4.457 5.155 -6.328 1.00 0.00 N ATOM 1380 CA TYR A 89 -5.521 6.130 -6.490 1.00 0.00 C ATOM 1381 C TYR A 89 -5.014 7.547 -6.214 1.00 0.00 C ATOM 1382 O TYR A 89 -5.263 8.463 -6.996 1.00 0.00 O ATOM 1383 CB TYR A 89 -6.585 5.770 -5.451 1.00 0.00 C ATOM 1384 CG TYR A 89 -7.474 6.945 -5.039 1.00 0.00 C ATOM 1385 CD1 TYR A 89 -8.466 7.391 -5.889 1.00 0.00 C ATOM 1386 CD2 TYR A 89 -7.286 7.557 -3.817 1.00 0.00 C ATOM 1387 CE1 TYR A 89 -9.303 8.497 -5.501 1.00 0.00 C ATOM 1388 CE2 TYR A 89 -8.123 8.663 -3.429 1.00 0.00 C ATOM 1389 CZ TYR A 89 -9.090 9.077 -4.290 1.00 0.00 C ATOM 1390 OH TYR A 89 -9.881 10.121 -3.923 1.00 0.00 O ATOM 0 H TYR A 89 -4.696 4.357 -5.740 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.908 6.110 -7.509 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.214 4.974 -5.850 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.092 5.372 -4.564 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.614 6.911 -6.845 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.511 7.207 -3.151 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.082 8.857 -6.157 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.986 9.152 -2.476 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.616 10.435 -3.033 1.00 0.00 H new ATOM 1400 N ARG A 90 -4.312 7.683 -5.099 1.00 0.00 N ATOM 1401 CA ARG A 90 -3.768 8.972 -4.709 1.00 0.00 C ATOM 1402 C ARG A 90 -2.934 9.562 -5.849 1.00 0.00 C ATOM 1403 O ARG A 90 -2.911 10.778 -6.040 1.00 0.00 O ATOM 1404 CB ARG A 90 -2.893 8.846 -3.460 1.00 0.00 C ATOM 1405 CG ARG A 90 -3.295 9.876 -2.403 1.00 0.00 C ATOM 1406 CD ARG A 90 -2.661 11.237 -2.695 1.00 0.00 C ATOM 1407 NE ARG A 90 -3.644 12.316 -2.453 1.00 0.00 N ATOM 1408 CZ ARG A 90 -3.392 13.619 -2.640 1.00 0.00 C ATOM 1409 NH1 ARG A 90 -2.187 14.012 -3.073 1.00 0.00 N ATOM 1410 NH2 ARG A 90 -4.345 14.528 -2.394 1.00 0.00 N ATOM 0 H ARG A 90 -4.107 6.921 -4.453 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.606 9.632 -4.486 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.985 7.841 -3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.846 8.986 -3.729 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.380 9.974 -2.380 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.985 9.530 -1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.786 11.383 -2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.317 11.273 -3.729 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.572 12.051 -2.123 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.462 13.320 -3.260 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.995 15.004 -3.215 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.263 14.228 -2.064 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.153 15.520 -2.536 1.00 0.00 H new ATOM 1424 N LEU A 91 -2.272 8.676 -6.577 1.00 0.00 N ATOM 1425 CA LEU A 91 -1.440 9.093 -7.693 1.00 0.00 C ATOM 1426 C LEU A 91 -2.304 9.209 -8.951 1.00 0.00 C ATOM 1427 O LEU A 91 -1.780 9.329 -10.057 1.00 0.00 O ATOM 1428 CB LEU A 91 -0.244 8.153 -7.851 1.00 0.00 C ATOM 1429 CG LEU A 91 0.891 8.337 -6.841 1.00 0.00 C ATOM 1430 CD1 LEU A 91 0.343 8.470 -5.419 1.00 0.00 C ATOM 1431 CD2 LEU A 91 1.915 7.206 -6.957 1.00 0.00 C ATOM 0 H LEU A 91 -2.295 7.669 -6.416 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.016 10.079 -7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.603 7.126 -7.782 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.164 8.281 -8.854 1.00 0.00 H new ATOM 0 HG LEU A 91 1.409 9.267 -7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.170 8.600 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.318 9.335 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.214 7.570 -5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.711 7.360 -6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.426 6.251 -6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.338 7.200 -7.961 1.00 0.00 H new ATOM 1443 N LYS A 92 -3.610 9.167 -8.740 1.00 0.00 N ATOM 1444 CA LYS A 92 -4.550 9.264 -9.843 1.00 0.00 C ATOM 1445 C LYS A 92 -4.453 8.003 -10.704 1.00 0.00 C ATOM 1446 O LYS A 92 -5.048 7.933 -11.778 1.00 0.00 O ATOM 1447 CB LYS A 92 -4.327 10.561 -10.624 1.00 0.00 C ATOM 1448 CG LYS A 92 -4.681 11.782 -9.773 1.00 0.00 C ATOM 1449 CD LYS A 92 -5.398 12.844 -10.610 1.00 0.00 C ATOM 1450 CE LYS A 92 -5.022 14.253 -10.147 1.00 0.00 C ATOM 1451 NZ LYS A 92 -4.933 15.172 -11.303 1.00 0.00 N ATOM 0 H LYS A 92 -4.040 9.067 -7.821 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.572 9.316 -9.468 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.286 10.624 -10.941 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.936 10.555 -11.528 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.317 11.478 -8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.774 12.205 -9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.137 12.721 -11.661 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.477 12.707 -10.531 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.765 14.620 -9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.067 14.227 -9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.677 16.124 -10.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.207 14.829 -11.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.852 15.210 -11.788 1.00 0.00 H new ATOM 1465 N GLU A 93 -3.698 7.038 -10.200 1.00 0.00 N ATOM 1466 CA GLU A 93 -3.515 5.784 -10.909 1.00 0.00 C ATOM 1467 C GLU A 93 -4.770 4.918 -10.788 1.00 0.00 C ATOM 1468 O GLU A 93 -4.702 3.780 -10.327 1.00 0.00 O ATOM 1469 CB GLU A 93 -2.283 5.038 -10.394 1.00 0.00 C ATOM 1470 CG GLU A 93 -0.995 5.717 -10.862 1.00 0.00 C ATOM 1471 CD GLU A 93 -0.630 5.285 -12.283 1.00 0.00 C ATOM 1472 OE1 GLU A 93 -0.619 4.056 -12.516 1.00 0.00 O ATOM 1473 OE2 GLU A 93 -0.374 6.191 -13.104 1.00 0.00 O ATOM 0 H GLU A 93 -3.206 7.100 -9.309 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.350 6.006 -11.963 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.304 5.002 -9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.304 4.007 -10.747 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.118 6.800 -10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.181 5.467 -10.182 1.00 0.00 H new ATOM 1480 N TYR A 94 -5.888 5.490 -11.211 1.00 0.00 N ATOM 1481 CA TYR A 94 -7.157 4.785 -11.156 1.00 0.00 C ATOM 1482 C TYR A 94 -7.052 3.414 -11.828 1.00 0.00 C ATOM 1483 O TYR A 94 -7.537 2.418 -11.294 1.00 0.00 O ATOM 1484 CB TYR A 94 -8.153 5.646 -11.936 1.00 0.00 C ATOM 1485 CG TYR A 94 -8.160 7.118 -11.520 1.00 0.00 C ATOM 1486 CD1 TYR A 94 -8.002 7.461 -10.192 1.00 0.00 C ATOM 1487 CD2 TYR A 94 -8.325 8.104 -12.471 1.00 0.00 C ATOM 1488 CE1 TYR A 94 -8.009 8.848 -9.800 1.00 0.00 C ATOM 1489 CE2 TYR A 94 -8.332 9.490 -12.080 1.00 0.00 C ATOM 1490 CZ TYR A 94 -8.174 9.792 -10.764 1.00 0.00 C ATOM 1491 OH TYR A 94 -8.180 11.102 -10.394 1.00 0.00 O ATOM 0 H TYR A 94 -5.941 6.434 -11.593 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.462 4.626 -10.122 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.920 5.580 -12.999 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.154 5.236 -11.803 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.873 6.690 -9.447 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.449 7.836 -13.510 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.886 9.131 -8.765 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.460 10.271 -12.815 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.306 11.665 -11.186 1.00 0.00 H new ATOM 1501 N GLU A 95 -6.416 3.407 -12.990 1.00 0.00 N ATOM 1502 CA GLU A 95 -6.241 2.175 -13.741 1.00 0.00 C ATOM 1503 C GLU A 95 -5.806 1.043 -12.808 1.00 0.00 C ATOM 1504 O GLU A 95 -6.604 0.170 -12.471 1.00 0.00 O ATOM 1505 CB GLU A 95 -5.237 2.365 -14.879 1.00 0.00 C ATOM 1506 CG GLU A 95 -5.870 3.120 -16.050 1.00 0.00 C ATOM 1507 CD GLU A 95 -5.057 2.928 -17.331 1.00 0.00 C ATOM 1508 OE1 GLU A 95 -5.241 1.868 -17.966 1.00 0.00 O ATOM 1509 OE2 GLU A 95 -4.268 3.845 -17.645 1.00 0.00 O ATOM 0 H GLU A 95 -6.015 4.235 -13.430 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.198 1.904 -14.187 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.369 2.914 -14.515 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.880 1.393 -15.219 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.889 2.767 -16.206 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.933 4.182 -15.811 1.00 0.00 H new ATOM 1516 N LYS A 96 -4.541 1.094 -12.418 1.00 0.00 N ATOM 1517 CA LYS A 96 -3.990 0.083 -11.531 1.00 0.00 C ATOM 1518 C LYS A 96 -4.895 -0.062 -10.307 1.00 0.00 C ATOM 1519 O LYS A 96 -5.247 -1.175 -9.918 1.00 0.00 O ATOM 1520 CB LYS A 96 -2.535 0.410 -11.185 1.00 0.00 C ATOM 1521 CG LYS A 96 -1.647 0.340 -12.430 1.00 0.00 C ATOM 1522 CD LYS A 96 -1.375 -1.113 -12.828 1.00 0.00 C ATOM 1523 CE LYS A 96 -0.214 -1.202 -13.819 1.00 0.00 C ATOM 1524 NZ LYS A 96 0.893 -2.004 -13.251 1.00 0.00 N ATOM 0 H LYS A 96 -3.882 1.819 -12.700 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.966 -0.887 -12.027 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.476 1.407 -10.748 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.170 -0.290 -10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.130 0.863 -13.256 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.704 0.851 -12.238 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.145 -1.700 -11.939 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.271 -1.546 -13.273 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.557 -1.653 -14.750 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.142 -0.201 -14.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.673 -2.054 -13.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.231 -1.558 -12.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.554 -2.965 -13.042 1.00 0.00 H new ATOM 1538 N ALA A 97 -5.246 1.079 -9.730 1.00 0.00 N ATOM 1539 CA ALA A 97 -6.103 1.092 -8.557 1.00 0.00 C ATOM 1540 C ALA A 97 -7.288 0.153 -8.787 1.00 0.00 C ATOM 1541 O ALA A 97 -7.358 -0.922 -8.192 1.00 0.00 O ATOM 1542 CB ALA A 97 -6.546 2.527 -8.264 1.00 0.00 C ATOM 0 H ALA A 97 -4.952 2.001 -10.054 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.561 0.733 -7.682 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.189 2.537 -7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.669 3.148 -8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.096 2.920 -9.119 1.00 0.00 H new ATOM 1548 N LEU A 98 -8.193 0.592 -9.649 1.00 0.00 N ATOM 1549 CA LEU A 98 -9.372 -0.196 -9.965 1.00 0.00 C ATOM 1550 C LEU A 98 -8.957 -1.646 -10.225 1.00 0.00 C ATOM 1551 O LEU A 98 -9.407 -2.559 -9.535 1.00 0.00 O ATOM 1552 CB LEU A 98 -10.148 0.438 -11.121 1.00 0.00 C ATOM 1553 CG LEU A 98 -11.498 1.062 -10.760 1.00 0.00 C ATOM 1554 CD1 LEU A 98 -12.399 0.048 -10.054 1.00 0.00 C ATOM 1555 CD2 LEU A 98 -11.309 2.335 -9.932 1.00 0.00 C ATOM 0 H LEU A 98 -8.133 1.485 -10.139 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.059 -0.207 -9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.523 1.208 -11.573 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.314 -0.324 -11.882 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.000 1.350 -11.684 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.352 0.517 -9.808 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.573 -0.804 -10.711 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.916 -0.293 -9.138 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.283 2.759 -9.689 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.778 2.095 -9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.731 3.060 -10.506 1.00 0.00 H new ATOM 1567 N LYS A 99 -8.102 -1.812 -11.224 1.00 0.00 N ATOM 1568 CA LYS A 99 -7.621 -3.135 -11.585 1.00 0.00 C ATOM 1569 C LYS A 99 -7.339 -3.935 -10.311 1.00 0.00 C ATOM 1570 O LYS A 99 -7.460 -5.160 -10.303 1.00 0.00 O ATOM 1571 CB LYS A 99 -6.417 -3.030 -12.523 1.00 0.00 C ATOM 1572 CG LYS A 99 -6.672 -3.786 -13.829 1.00 0.00 C ATOM 1573 CD LYS A 99 -7.305 -2.869 -14.878 1.00 0.00 C ATOM 1574 CE LYS A 99 -7.506 -3.608 -16.203 1.00 0.00 C ATOM 1575 NZ LYS A 99 -8.932 -3.585 -16.598 1.00 0.00 N ATOM 0 H LYS A 99 -7.730 -1.053 -11.794 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.384 -3.679 -12.142 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.211 -1.982 -12.740 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.532 -3.434 -12.031 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.733 -4.187 -14.210 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.328 -4.635 -13.640 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.264 -2.501 -14.513 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.669 -1.998 -15.036 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.900 -3.144 -16.981 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.166 -4.639 -16.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.051 -4.091 -17.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.503 -4.048 -15.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.245 -2.600 -16.710 1.00 0.00 H new ATOM 1589 N TYR A 100 -6.968 -3.211 -9.266 1.00 0.00 N ATOM 1590 CA TYR A 100 -6.669 -3.838 -7.990 1.00 0.00 C ATOM 1591 C TYR A 100 -7.896 -3.836 -7.075 1.00 0.00 C ATOM 1592 O TYR A 100 -8.111 -4.780 -6.317 1.00 0.00 O ATOM 1593 CB TYR A 100 -5.570 -2.987 -7.349 1.00 0.00 C ATOM 1594 CG TYR A 100 -4.182 -3.631 -7.389 1.00 0.00 C ATOM 1595 CD1 TYR A 100 -4.053 -4.999 -7.265 1.00 0.00 C ATOM 1596 CD2 TYR A 100 -3.061 -2.843 -7.547 1.00 0.00 C ATOM 1597 CE1 TYR A 100 -2.746 -5.605 -7.301 1.00 0.00 C ATOM 1598 CE2 TYR A 100 -1.754 -3.449 -7.583 1.00 0.00 C ATOM 1599 CZ TYR A 100 -1.662 -4.800 -7.459 1.00 0.00 C ATOM 1600 OH TYR A 100 -0.429 -5.372 -7.493 1.00 0.00 O ATOM 0 H TYR A 100 -6.868 -2.196 -9.277 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.366 -4.875 -8.135 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.527 -2.024 -7.857 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -5.837 -2.788 -6.311 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.931 -5.615 -7.141 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -3.163 -1.772 -7.644 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.630 -6.674 -7.205 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.868 -2.844 -7.706 1.00 0.00 H new ATOM 0 HH TYR A 100 0.236 -4.701 -7.753 1.00 0.00 H new ATOM 1610 N VAL A 101 -8.669 -2.765 -7.179 1.00 0.00 N ATOM 1611 CA VAL A 101 -9.868 -2.628 -6.371 1.00 0.00 C ATOM 1612 C VAL A 101 -10.948 -3.573 -6.903 1.00 0.00 C ATOM 1613 O VAL A 101 -11.854 -3.962 -6.170 1.00 0.00 O ATOM 1614 CB VAL A 101 -10.317 -1.165 -6.343 1.00 0.00 C ATOM 1615 CG1 VAL A 101 -11.822 -1.047 -6.592 1.00 0.00 C ATOM 1616 CG2 VAL A 101 -9.926 -0.497 -5.023 1.00 0.00 C ATOM 0 H VAL A 101 -8.488 -1.985 -7.810 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.666 -2.913 -5.338 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.803 -0.642 -7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.114 0.003 -6.567 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -12.063 -1.467 -7.568 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -12.363 -1.593 -5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.257 0.542 -5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.399 -1.024 -4.194 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.843 -0.532 -4.904 1.00 0.00 H new ATOM 1626 N ARG A 102 -10.814 -3.915 -8.176 1.00 0.00 N ATOM 1627 CA ARG A 102 -11.765 -4.808 -8.816 1.00 0.00 C ATOM 1628 C ARG A 102 -11.547 -6.246 -8.341 1.00 0.00 C ATOM 1629 O ARG A 102 -12.482 -6.902 -7.886 1.00 0.00 O ATOM 1630 CB ARG A 102 -11.632 -4.755 -10.339 1.00 0.00 C ATOM 1631 CG ARG A 102 -12.030 -3.379 -10.877 1.00 0.00 C ATOM 1632 CD ARG A 102 -13.491 -3.064 -10.550 1.00 0.00 C ATOM 1633 NE ARG A 102 -14.244 -2.807 -11.798 1.00 0.00 N ATOM 1634 CZ ARG A 102 -14.763 -3.770 -12.574 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -14.612 -5.057 -12.235 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -15.431 -3.443 -13.689 1.00 0.00 N ATOM 0 H ARG A 102 -10.061 -3.590 -8.782 1.00 0.00 H new ATOM 0 HA ARG A 102 -12.766 -4.479 -8.539 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -10.604 -4.978 -10.626 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.262 -5.522 -10.790 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.384 -2.615 -10.445 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -11.881 -3.349 -11.956 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -13.939 -3.898 -10.010 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.547 -2.194 -9.896 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.376 -1.837 -12.086 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -14.102 -5.305 -11.387 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.007 -5.789 -12.825 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -15.544 -2.463 -13.947 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.826 -4.175 -14.280 1.00 0.00 H new ATOM 1650 N GLY A 103 -10.306 -6.693 -8.464 1.00 0.00 N ATOM 1651 CA GLY A 103 -9.952 -8.041 -8.053 1.00 0.00 C ATOM 1652 C GLY A 103 -10.113 -8.214 -6.541 1.00 0.00 C ATOM 1653 O GLY A 103 -10.549 -9.266 -6.076 1.00 0.00 O ATOM 0 H GLY A 103 -9.533 -6.146 -8.842 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.583 -8.761 -8.574 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.922 -8.254 -8.339 1.00 0.00 H new ATOM 1657 N LEU A 104 -9.753 -7.164 -5.816 1.00 0.00 N ATOM 1658 CA LEU A 104 -9.853 -7.187 -4.367 1.00 0.00 C ATOM 1659 C LEU A 104 -11.326 -7.251 -3.962 1.00 0.00 C ATOM 1660 O LEU A 104 -11.660 -7.773 -2.900 1.00 0.00 O ATOM 1661 CB LEU A 104 -9.099 -6.002 -3.760 1.00 0.00 C ATOM 1662 CG LEU A 104 -9.083 -5.929 -2.231 1.00 0.00 C ATOM 1663 CD1 LEU A 104 -10.439 -5.471 -1.691 1.00 0.00 C ATOM 1664 CD2 LEU A 104 -8.643 -7.263 -1.623 1.00 0.00 C ATOM 0 H LEU A 104 -9.392 -6.293 -6.205 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.374 -8.080 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.068 -6.033 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.540 -5.082 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.348 -5.182 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.401 -5.427 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.673 -4.482 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.211 -6.177 -1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.640 -7.184 -0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.335 -8.048 -1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.640 -7.508 -1.972 1.00 0.00 H new ATOM 1676 N LEU A 105 -12.170 -6.712 -4.831 1.00 0.00 N ATOM 1677 CA LEU A 105 -13.600 -6.701 -4.576 1.00 0.00 C ATOM 1678 C LEU A 105 -14.188 -8.067 -4.935 1.00 0.00 C ATOM 1679 O LEU A 105 -15.190 -8.487 -4.359 1.00 0.00 O ATOM 1680 CB LEU A 105 -14.265 -5.535 -5.310 1.00 0.00 C ATOM 1681 CG LEU A 105 -14.302 -4.203 -4.557 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -14.621 -3.046 -5.505 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -15.276 -4.266 -3.379 1.00 0.00 C ATOM 0 H LEU A 105 -11.890 -6.280 -5.712 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.797 -6.536 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -13.744 -5.381 -6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.288 -5.821 -5.553 1.00 0.00 H new ATOM 0 HG LEU A 105 -13.311 -4.016 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -14.641 -2.111 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -13.856 -2.988 -6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.594 -3.213 -5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -15.283 -3.307 -2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -16.278 -4.487 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.962 -5.049 -2.689 1.00 0.00 H new ATOM 1695 N GLN A 106 -13.539 -8.724 -5.886 1.00 0.00 N ATOM 1696 CA GLN A 106 -13.985 -10.035 -6.328 1.00 0.00 C ATOM 1697 C GLN A 106 -14.001 -11.014 -5.153 1.00 0.00 C ATOM 1698 O GLN A 106 -14.994 -11.707 -4.931 1.00 0.00 O ATOM 1699 CB GLN A 106 -13.105 -10.558 -7.465 1.00 0.00 C ATOM 1700 CG GLN A 106 -13.922 -10.752 -8.744 1.00 0.00 C ATOM 1701 CD GLN A 106 -13.906 -12.216 -9.189 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -13.784 -13.132 -8.392 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -14.035 -12.385 -10.501 1.00 0.00 N ATOM 0 H GLN A 106 -12.708 -8.373 -6.362 1.00 0.00 H new ATOM 0 HA GLN A 106 -15.001 -9.942 -6.712 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.291 -9.858 -7.652 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -12.650 -11.504 -7.172 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -14.950 -10.431 -8.575 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -13.518 -10.123 -9.537 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -14.133 -11.574 -11.112 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -14.036 -13.325 -10.896 1.00 0.00 H new ATOM 1712 N THR A 107 -12.892 -11.040 -4.430 1.00 0.00 N ATOM 1713 CA THR A 107 -12.766 -11.923 -3.282 1.00 0.00 C ATOM 1714 C THR A 107 -13.325 -11.250 -2.028 1.00 0.00 C ATOM 1715 O THR A 107 -13.587 -11.915 -1.026 1.00 0.00 O ATOM 1716 CB THR A 107 -11.295 -12.324 -3.153 1.00 0.00 C ATOM 1717 OG1 THR A 107 -11.257 -13.131 -1.980 1.00 0.00 O ATOM 1718 CG2 THR A 107 -10.392 -11.136 -2.817 1.00 0.00 C ATOM 0 H THR A 107 -12.071 -10.464 -4.616 1.00 0.00 H new ATOM 0 HA THR A 107 -13.354 -12.831 -3.415 1.00 0.00 H new ATOM 0 HB THR A 107 -10.961 -12.782 -4.084 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.339 -13.436 -1.822 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.359 -11.475 -2.737 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.468 -10.387 -3.605 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.705 -10.698 -1.869 1.00 0.00 H new ATOM 1726 N GLU A 108 -13.490 -9.938 -2.122 1.00 0.00 N ATOM 1727 CA GLU A 108 -14.013 -9.168 -1.006 1.00 0.00 C ATOM 1728 C GLU A 108 -15.080 -8.186 -1.494 1.00 0.00 C ATOM 1729 O GLU A 108 -14.890 -6.972 -1.424 1.00 0.00 O ATOM 1730 CB GLU A 108 -12.889 -8.436 -0.271 1.00 0.00 C ATOM 1731 CG GLU A 108 -11.723 -9.381 0.029 1.00 0.00 C ATOM 1732 CD GLU A 108 -11.933 -10.103 1.362 1.00 0.00 C ATOM 1733 OE1 GLU A 108 -12.781 -11.021 1.383 1.00 0.00 O ATOM 1734 OE2 GLU A 108 -11.241 -9.722 2.329 1.00 0.00 O ATOM 0 H GLU A 108 -13.271 -9.389 -2.953 1.00 0.00 H new ATOM 0 HA GLU A 108 -14.476 -9.856 -0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.538 -7.600 -0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.271 -8.017 0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.627 -10.112 -0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.791 -8.817 0.060 1.00 0.00 H new ATOM 1741 N PRO A 109 -16.208 -8.762 -1.991 1.00 0.00 N ATOM 1742 CA PRO A 109 -17.305 -7.951 -2.490 1.00 0.00 C ATOM 1743 C PRO A 109 -18.092 -7.324 -1.337 1.00 0.00 C ATOM 1744 O PRO A 109 -18.625 -6.224 -1.472 1.00 0.00 O ATOM 1745 CB PRO A 109 -18.141 -8.898 -3.335 1.00 0.00 C ATOM 1746 CG PRO A 109 -17.747 -10.300 -2.904 1.00 0.00 C ATOM 1747 CD PRO A 109 -16.467 -10.195 -2.091 1.00 0.00 C ATOM 0 HA PRO A 109 -16.965 -7.103 -3.084 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -19.206 -8.726 -3.177 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -17.948 -8.747 -4.397 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -18.540 -10.754 -2.310 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -17.595 -10.938 -3.774 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -16.586 -10.646 -1.106 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -15.643 -10.713 -2.581 1.00 0.00 H new ATOM 1755 N GLN A 110 -18.138 -8.050 -0.231 1.00 0.00 N ATOM 1756 CA GLN A 110 -18.850 -7.579 0.945 1.00 0.00 C ATOM 1757 C GLN A 110 -18.075 -6.444 1.616 1.00 0.00 C ATOM 1758 O GLN A 110 -18.628 -5.707 2.431 1.00 0.00 O ATOM 1759 CB GLN A 110 -19.107 -8.725 1.926 1.00 0.00 C ATOM 1760 CG GLN A 110 -17.816 -9.491 2.223 1.00 0.00 C ATOM 1761 CD GLN A 110 -17.936 -10.283 3.527 1.00 0.00 C ATOM 1762 OE1 GLN A 110 -18.711 -9.959 4.410 1.00 0.00 O ATOM 1763 NE2 GLN A 110 -17.128 -11.337 3.596 1.00 0.00 N ATOM 0 H GLN A 110 -17.694 -8.962 -0.124 1.00 0.00 H new ATOM 0 HA GLN A 110 -19.819 -7.192 0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -19.521 -8.329 2.853 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -19.850 -9.405 1.510 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -17.594 -10.170 1.400 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.982 -8.792 2.293 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.503 -11.552 2.819 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.134 -11.930 4.426 1.00 0.00 H new ATOM 1772 N ASN A 111 -16.806 -6.341 1.250 1.00 0.00 N ATOM 1773 CA ASN A 111 -15.949 -5.308 1.807 1.00 0.00 C ATOM 1774 C ASN A 111 -16.431 -3.938 1.328 1.00 0.00 C ATOM 1775 O ASN A 111 -16.419 -3.654 0.131 1.00 0.00 O ATOM 1776 CB ASN A 111 -14.500 -5.487 1.346 1.00 0.00 C ATOM 1777 CG ASN A 111 -13.591 -4.429 1.974 1.00 0.00 C ATOM 1778 OD1 ASN A 111 -14.038 -3.483 2.604 1.00 0.00 O ATOM 1779 ND2 ASN A 111 -12.294 -4.639 1.769 1.00 0.00 N ATOM 0 H ASN A 111 -16.351 -6.955 0.575 1.00 0.00 H new ATOM 0 HA ASN A 111 -15.994 -5.382 2.894 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -14.148 -6.482 1.618 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.449 -5.417 0.259 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.606 -3.988 2.148 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.987 -5.451 1.233 1.00 0.00 H new ATOM 1786 N ASN A 112 -16.845 -3.122 2.288 1.00 0.00 N ATOM 1787 CA ASN A 112 -17.331 -1.789 1.980 1.00 0.00 C ATOM 1788 C ASN A 112 -16.150 -0.899 1.584 1.00 0.00 C ATOM 1789 O ASN A 112 -16.177 -0.255 0.536 1.00 0.00 O ATOM 1790 CB ASN A 112 -18.013 -1.156 3.194 1.00 0.00 C ATOM 1791 CG ASN A 112 -18.978 -2.142 3.856 1.00 0.00 C ATOM 1792 OD1 ASN A 112 -19.886 -2.672 3.237 1.00 0.00 O ATOM 1793 ND2 ASN A 112 -18.732 -2.356 5.146 1.00 0.00 N ATOM 0 H ASN A 112 -16.853 -3.360 3.280 1.00 0.00 H new ATOM 0 HA ASN A 112 -18.051 -1.873 1.166 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -17.259 -0.839 3.915 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -18.555 -0.262 2.886 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -19.321 -2.997 5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -17.955 -1.879 5.603 1.00 0.00 H new ATOM 1800 N GLN A 113 -15.142 -0.892 2.444 1.00 0.00 N ATOM 1801 CA GLN A 113 -13.953 -0.093 2.197 1.00 0.00 C ATOM 1802 C GLN A 113 -13.567 -0.159 0.719 1.00 0.00 C ATOM 1803 O GLN A 113 -13.284 0.865 0.100 1.00 0.00 O ATOM 1804 CB GLN A 113 -12.795 -0.543 3.089 1.00 0.00 C ATOM 1805 CG GLN A 113 -13.117 -0.310 4.567 1.00 0.00 C ATOM 1806 CD GLN A 113 -11.969 -0.784 5.460 1.00 0.00 C ATOM 1807 OE1 GLN A 113 -10.853 -0.296 5.393 1.00 0.00 O ATOM 1808 NE2 GLN A 113 -12.303 -1.762 6.298 1.00 0.00 N ATOM 0 H GLN A 113 -15.124 -1.427 3.312 1.00 0.00 H new ATOM 0 HA GLN A 113 -14.177 0.944 2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -12.591 -1.600 2.920 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.891 0.003 2.820 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -13.303 0.750 4.740 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -14.031 -0.841 4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -13.256 -2.126 6.303 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.606 -2.148 6.935 1.00 0.00 H new ATOM 1817 N ALA A 114 -13.565 -1.377 0.195 1.00 0.00 N ATOM 1818 CA ALA A 114 -13.217 -1.590 -1.200 1.00 0.00 C ATOM 1819 C ALA A 114 -14.288 -0.959 -2.092 1.00 0.00 C ATOM 1820 O ALA A 114 -13.969 -0.314 -3.089 1.00 0.00 O ATOM 1821 CB ALA A 114 -13.050 -3.089 -1.460 1.00 0.00 C ATOM 0 H ALA A 114 -13.799 -2.225 0.711 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.268 -1.109 -1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -12.789 -3.250 -2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.257 -3.483 -0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.984 -3.603 -1.236 1.00 0.00 H new ATOM 1827 N LYS A 115 -15.536 -1.166 -1.699 1.00 0.00 N ATOM 1828 CA LYS A 115 -16.656 -0.625 -2.450 1.00 0.00 C ATOM 1829 C LYS A 115 -16.468 0.883 -2.622 1.00 0.00 C ATOM 1830 O LYS A 115 -16.477 1.390 -3.743 1.00 0.00 O ATOM 1831 CB LYS A 115 -17.981 -1.009 -1.788 1.00 0.00 C ATOM 1832 CG LYS A 115 -18.483 -2.357 -2.306 1.00 0.00 C ATOM 1833 CD LYS A 115 -19.981 -2.525 -2.038 1.00 0.00 C ATOM 1834 CE LYS A 115 -20.699 -3.079 -3.269 1.00 0.00 C ATOM 1835 NZ LYS A 115 -22.165 -2.919 -3.129 1.00 0.00 N ATOM 0 H LYS A 115 -15.796 -1.701 -0.870 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.689 -1.058 -3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -17.851 -1.057 -0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.727 -0.239 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -18.291 -2.434 -3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.931 -3.164 -1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.130 -3.197 -1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.415 -1.564 -1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -20.354 -2.560 -4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -20.453 -4.133 -3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -22.638 -3.300 -3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -22.492 -3.434 -2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -22.396 -1.910 -3.029 1.00 0.00 H new ATOM 1849 N GLU A 116 -16.303 1.559 -1.495 1.00 0.00 N ATOM 1850 CA GLU A 116 -16.114 2.999 -1.506 1.00 0.00 C ATOM 1851 C GLU A 116 -15.045 3.386 -2.531 1.00 0.00 C ATOM 1852 O GLU A 116 -15.328 4.110 -3.484 1.00 0.00 O ATOM 1853 CB GLU A 116 -15.749 3.516 -0.113 1.00 0.00 C ATOM 1854 CG GLU A 116 -17.005 3.835 0.700 1.00 0.00 C ATOM 1855 CD GLU A 116 -17.632 5.154 0.246 1.00 0.00 C ATOM 1856 OE1 GLU A 116 -18.178 5.165 -0.879 1.00 0.00 O ATOM 1857 OE2 GLU A 116 -17.551 6.122 1.033 1.00 0.00 O ATOM 0 H GLU A 116 -16.296 1.135 -0.567 1.00 0.00 H new ATOM 0 HA GLU A 116 -17.055 3.466 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.152 2.769 0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.133 4.411 -0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.729 3.027 0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -16.752 3.894 1.759 1.00 0.00 H new ATOM 1864 N LEU A 117 -13.840 2.885 -2.300 1.00 0.00 N ATOM 1865 CA LEU A 117 -12.729 3.169 -3.191 1.00 0.00 C ATOM 1866 C LEU A 117 -13.209 3.088 -4.642 1.00 0.00 C ATOM 1867 O LEU A 117 -13.141 4.071 -5.378 1.00 0.00 O ATOM 1868 CB LEU A 117 -11.546 2.248 -2.883 1.00 0.00 C ATOM 1869 CG LEU A 117 -10.157 2.819 -3.177 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -9.990 4.205 -2.550 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -9.060 1.851 -2.729 1.00 0.00 C ATOM 0 H LEU A 117 -13.609 2.284 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 117 -12.364 4.184 -3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -11.589 1.975 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -11.668 1.329 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.059 2.940 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.994 4.588 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -10.740 4.882 -2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -10.117 4.133 -1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.083 2.281 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -9.146 1.675 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.169 0.906 -3.261 1.00 0.00 H new ATOM 1883 N GLU A 118 -13.685 1.907 -5.009 1.00 0.00 N ATOM 1884 CA GLU A 118 -14.178 1.685 -6.357 1.00 0.00 C ATOM 1885 C GLU A 118 -14.921 2.922 -6.861 1.00 0.00 C ATOM 1886 O GLU A 118 -14.562 3.490 -7.892 1.00 0.00 O ATOM 1887 CB GLU A 118 -15.072 0.445 -6.417 1.00 0.00 C ATOM 1888 CG GLU A 118 -15.575 0.200 -7.841 1.00 0.00 C ATOM 1889 CD GLU A 118 -16.818 1.041 -8.136 1.00 0.00 C ATOM 1890 OE1 GLU A 118 -17.901 0.640 -7.660 1.00 0.00 O ATOM 1891 OE2 GLU A 118 -16.656 2.068 -8.831 1.00 0.00 O ATOM 0 H GLU A 118 -13.740 1.094 -4.396 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.324 1.508 -7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -14.516 -0.426 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -15.920 0.571 -5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.789 0.444 -8.555 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.807 -0.857 -7.972 1.00 0.00 H new ATOM 1898 N ARG A 119 -15.944 3.305 -6.112 1.00 0.00 N ATOM 1899 CA ARG A 119 -16.742 4.466 -6.470 1.00 0.00 C ATOM 1900 C ARG A 119 -15.890 5.734 -6.411 1.00 0.00 C ATOM 1901 O ARG A 119 -15.958 6.575 -7.307 1.00 0.00 O ATOM 1902 CB ARG A 119 -17.941 4.620 -5.533 1.00 0.00 C ATOM 1903 CG ARG A 119 -19.160 3.869 -6.073 1.00 0.00 C ATOM 1904 CD ARG A 119 -20.428 4.714 -5.939 1.00 0.00 C ATOM 1905 NE ARG A 119 -21.074 4.871 -7.262 1.00 0.00 N ATOM 1906 CZ ARG A 119 -22.066 5.735 -7.516 1.00 0.00 C ATOM 1907 NH1 ARG A 119 -22.532 6.526 -6.540 1.00 0.00 N ATOM 1908 NH2 ARG A 119 -22.591 5.808 -8.747 1.00 0.00 N ATOM 0 H ARG A 119 -16.239 2.832 -5.258 1.00 0.00 H new ATOM 0 HA ARG A 119 -17.107 4.317 -7.486 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -17.685 4.241 -4.544 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -18.183 5.676 -5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -18.999 3.612 -7.120 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -19.284 2.932 -5.530 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -21.119 4.240 -5.242 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -20.181 5.693 -5.527 1.00 0.00 H new ATOM 0 HE ARG A 119 -20.743 4.285 -8.028 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -22.131 6.470 -5.604 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -23.287 7.184 -6.733 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -22.235 5.206 -9.490 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -23.346 6.465 -8.941 1.00 0.00 H new ATOM 1922 N LEU A 120 -15.106 5.833 -5.348 1.00 0.00 N ATOM 1923 CA LEU A 120 -14.240 6.985 -5.160 1.00 0.00 C ATOM 1924 C LEU A 120 -13.494 7.275 -6.465 1.00 0.00 C ATOM 1925 O LEU A 120 -13.664 8.340 -7.056 1.00 0.00 O ATOM 1926 CB LEU A 120 -13.318 6.772 -3.959 1.00 0.00 C ATOM 1927 CG LEU A 120 -13.995 6.757 -2.587 1.00 0.00 C ATOM 1928 CD1 LEU A 120 -13.053 6.203 -1.516 1.00 0.00 C ATOM 1929 CD2 LEU A 120 -14.523 8.146 -2.222 1.00 0.00 C ATOM 0 H LEU A 120 -15.052 5.134 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 120 -14.830 7.871 -4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -12.792 5.826 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -12.564 7.559 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 120 -14.854 6.088 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -13.559 6.203 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -12.767 5.184 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -12.161 6.827 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -15.000 8.108 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -13.695 8.855 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -15.251 8.466 -2.968 1.00 0.00 H new ATOM 1941 N ILE A 121 -12.686 6.310 -6.874 1.00 0.00 N ATOM 1942 CA ILE A 121 -11.913 6.448 -8.096 1.00 0.00 C ATOM 1943 C ILE A 121 -12.853 6.805 -9.250 1.00 0.00 C ATOM 1944 O ILE A 121 -12.569 7.716 -10.026 1.00 0.00 O ATOM 1945 CB ILE A 121 -11.079 5.191 -8.349 1.00 0.00 C ATOM 1946 CG1 ILE A 121 -10.124 4.923 -7.184 1.00 0.00 C ATOM 1947 CG2 ILE A 121 -10.340 5.283 -9.686 1.00 0.00 C ATOM 1948 CD1 ILE A 121 -10.283 3.493 -6.663 1.00 0.00 C ATOM 0 H ILE A 121 -12.549 5.428 -6.381 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.196 7.264 -8.003 1.00 0.00 H new ATOM 0 HB ILE A 121 -11.756 4.339 -8.413 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.096 5.084 -7.508 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.319 5.631 -6.379 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -9.755 4.377 -9.841 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -11.063 5.391 -10.495 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -9.675 6.147 -9.676 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -9.593 3.328 -5.835 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -11.306 3.343 -6.318 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.063 2.787 -7.464 1.00 0.00 H new ATOM 1960 N ASP A 122 -13.951 6.069 -9.325 1.00 0.00 N ATOM 1961 CA ASP A 122 -14.934 6.297 -10.371 1.00 0.00 C ATOM 1962 C ASP A 122 -15.218 7.796 -10.481 1.00 0.00 C ATOM 1963 O ASP A 122 -15.238 8.350 -11.579 1.00 0.00 O ATOM 1964 CB ASP A 122 -16.252 5.588 -10.052 1.00 0.00 C ATOM 1965 CG ASP A 122 -17.154 5.327 -11.259 1.00 0.00 C ATOM 1966 OD1 ASP A 122 -16.808 5.835 -12.347 1.00 0.00 O ATOM 1967 OD2 ASP A 122 -18.171 4.625 -11.067 1.00 0.00 O ATOM 0 H ASP A 122 -14.182 5.314 -8.679 1.00 0.00 H new ATOM 0 HA ASP A 122 -14.530 5.905 -11.304 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -16.028 4.635 -9.572 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -16.804 6.188 -9.328 1.00 0.00 H new ATOM 1972 N LYS A 123 -15.431 8.411 -9.326 1.00 0.00 N ATOM 1973 CA LYS A 123 -15.714 9.836 -9.278 1.00 0.00 C ATOM 1974 C LYS A 123 -14.448 10.615 -9.639 1.00 0.00 C ATOM 1975 O LYS A 123 -14.515 11.635 -10.323 1.00 0.00 O ATOM 1976 CB LYS A 123 -16.306 10.220 -7.921 1.00 0.00 C ATOM 1977 CG LYS A 123 -17.833 10.270 -7.983 1.00 0.00 C ATOM 1978 CD LYS A 123 -18.454 9.702 -6.705 1.00 0.00 C ATOM 1979 CE LYS A 123 -18.285 10.674 -5.535 1.00 0.00 C ATOM 1980 NZ LYS A 123 -18.670 10.023 -4.262 1.00 0.00 N ATOM 0 H LYS A 123 -15.413 7.949 -8.417 1.00 0.00 H new ATOM 0 HA LYS A 123 -16.472 10.099 -10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -15.993 9.499 -7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -15.919 11.191 -7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -18.161 11.300 -8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -18.184 9.703 -8.845 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -19.513 9.504 -6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -17.985 8.749 -6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -17.250 11.010 -5.480 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -18.899 11.559 -5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -18.550 10.696 -3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -19.665 9.724 -4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -18.066 9.192 -4.101 1.00 0.00 H new ATOM 1994 N ALA A 124 -13.321 10.104 -9.164 1.00 0.00 N ATOM 1995 CA ALA A 124 -12.041 10.738 -9.428 1.00 0.00 C ATOM 1996 C ALA A 124 -11.889 10.964 -10.934 1.00 0.00 C ATOM 1997 O ALA A 124 -11.785 12.102 -11.388 1.00 0.00 O ATOM 1998 CB ALA A 124 -10.915 9.878 -8.850 1.00 0.00 C ATOM 0 H ALA A 124 -13.268 9.257 -8.597 1.00 0.00 H new ATOM 0 HA ALA A 124 -11.988 11.712 -8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -9.955 10.354 -9.048 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -11.053 9.774 -7.774 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -10.934 8.893 -9.315 1.00 0.00 H new ATOM 2004 N MET A 125 -11.882 9.860 -11.667 1.00 0.00 N ATOM 2005 CA MET A 125 -11.745 9.922 -13.112 1.00 0.00 C ATOM 2006 C MET A 125 -12.618 11.034 -13.699 1.00 0.00 C ATOM 2007 O MET A 125 -12.138 11.863 -14.469 1.00 0.00 O ATOM 2008 CB MET A 125 -12.151 8.580 -13.722 1.00 0.00 C ATOM 2009 CG MET A 125 -11.374 7.428 -13.080 1.00 0.00 C ATOM 2010 SD MET A 125 -10.528 6.486 -14.338 1.00 0.00 S ATOM 2011 CE MET A 125 -10.672 4.846 -13.647 1.00 0.00 C ATOM 0 H MET A 125 -11.969 8.917 -11.287 1.00 0.00 H new ATOM 0 HA MET A 125 -10.704 10.139 -13.350 1.00 0.00 H new ATOM 0 HB2 MET A 125 -13.221 8.423 -13.585 1.00 0.00 H new ATOM 0 HB3 MET A 125 -11.966 8.594 -14.796 1.00 0.00 H new ATOM 0 HG2 MET A 125 -10.654 7.820 -12.362 1.00 0.00 H new ATOM 0 HG3 MET A 125 -12.056 6.782 -12.527 1.00 0.00 H new ATOM 0 HE1 MET A 125 -9.700 4.353 -13.675 1.00 0.00 H new ATOM 0 HE2 MET A 125 -11.015 4.915 -12.615 1.00 0.00 H new ATOM 0 HE3 MET A 125 -11.389 4.267 -14.229 1.00 0.00 H new ATOM 2021 N LYS A 126 -13.884 11.014 -13.311 1.00 0.00 N ATOM 2022 CA LYS A 126 -14.829 12.011 -13.788 1.00 0.00 C ATOM 2023 C LYS A 126 -14.346 13.403 -13.378 1.00 0.00 C ATOM 2024 O LYS A 126 -14.309 14.318 -14.198 1.00 0.00 O ATOM 2025 CB LYS A 126 -16.243 11.683 -13.306 1.00 0.00 C ATOM 2026 CG LYS A 126 -17.188 11.461 -14.488 1.00 0.00 C ATOM 2027 CD LYS A 126 -18.072 12.690 -14.721 1.00 0.00 C ATOM 2028 CE LYS A 126 -18.420 12.841 -16.203 1.00 0.00 C ATOM 2029 NZ LYS A 126 -18.863 14.222 -16.493 1.00 0.00 N ATOM 0 H LYS A 126 -14.278 10.324 -12.672 1.00 0.00 H new ATOM 0 HA LYS A 126 -14.878 11.999 -14.877 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.220 10.790 -12.682 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.617 12.497 -12.685 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -16.609 11.249 -15.387 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -17.814 10.589 -14.299 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -18.987 12.600 -14.136 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -17.557 13.585 -14.372 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -17.551 12.596 -16.813 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -19.207 12.136 -16.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -19.095 14.307 -17.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -19.705 14.443 -15.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -18.100 14.888 -16.256 1.00 0.00 H new ATOM 2043 N LYS A 127 -13.987 13.519 -12.107 1.00 0.00 N ATOM 2044 CA LYS A 127 -13.508 14.784 -11.578 1.00 0.00 C ATOM 2045 C LYS A 127 -12.353 15.291 -12.444 1.00 0.00 C ATOM 2046 O LYS A 127 -12.495 16.286 -13.153 1.00 0.00 O ATOM 2047 CB LYS A 127 -13.150 14.644 -10.097 1.00 0.00 C ATOM 2048 CG LYS A 127 -14.402 14.401 -9.250 1.00 0.00 C ATOM 2049 CD LYS A 127 -14.078 13.534 -8.031 1.00 0.00 C ATOM 2050 CE LYS A 127 -14.591 14.187 -6.745 1.00 0.00 C ATOM 2051 NZ LYS A 127 -16.051 14.412 -6.824 1.00 0.00 N ATOM 0 H LYS A 127 -14.019 12.758 -11.429 1.00 0.00 H new ATOM 0 HA LYS A 127 -14.295 15.537 -11.623 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -12.451 13.818 -9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.645 15.547 -9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -14.815 15.355 -8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -15.166 13.913 -9.855 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -14.530 12.549 -8.149 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -13.001 13.384 -7.963 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -14.361 13.551 -5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -14.079 15.136 -6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -16.455 14.410 -5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -16.237 15.330 -7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -16.489 13.654 -7.386 1.00 0.00 H new