USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 933 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 82 ASN :FLIP amide:sc= -0.16 F(o=-2.1!,f=-0.16) USER MOD Set 2.1: A 48 SER OG : rot 180:sc= 0.0896 USER MOD Set 2.2: A 49 ASN : amide:sc= -0.63 X(o=-0.54,f=-0.8) USER MOD Set 3.1: A 24 LYS NZ :NH3+ 166:sc= 1.34 (180deg=-0.162) USER MOD Set 3.2: A 75 TYR OH : rot 130:sc= 0.95 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0668 (180deg=-0.477) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0.88 (180deg=0.796) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -2.98! C(o=-7.2!,f=-3!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0222 USER MOD Single : A 19 ASN : amide:sc=-0.00332 K(o=-0.0033,f=-0.83) USER MOD Single : A 20 TYR OH : rot -143:sc= 1.2 USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0101) USER MOD Single : A 33 ASN : amide:sc=-0.00155 K(o=-0.0015,f=-2.8!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 41 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.9!) USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0142) USER MOD Single : A 45 LYS NZ :NH3+ -119:sc= 0.892 (180deg=0.707) USER MOD Single : A 46 THR OG1 : rot 148:sc= 0.00489 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -44:sc= 0.302 USER MOD Single : A 52 THR OG1 : rot -140:sc= 0.157 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= 1.22 (180deg=1.12) USER MOD Single : A 62 ASN : amide:sc= -1.53! X(o=-1.5!,f=-1.7) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 71 ASN : amide:sc= 1.63 K(o=1.6,f=-7!) USER MOD Single : A 83 ASN : amide:sc= -0.0313 X(o=-0.031,f=-0.42) USER MOD Single : A 84 LYS NZ :NH3+ 165:sc= 0.0981 (180deg=0.0535) USER MOD Single : A 88 GLN : amide:sc= -0.478 K(o=-0.48,f=-1.2) USER MOD Single : A 91 LYS NZ :NH3+ -169:sc= -0.0226 (180deg=-0.209) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 171:sc=-0.00568 (180deg=-0.114) USER MOD Single : A 94 THR OG1 : rot 92:sc= 0.00616 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.22 F(o=-2.3,f=-0.22) USER MOD Single : A 99 LYS NZ :NH3+ 165:sc= -0.0291 (180deg=-0.256) USER MOD Single : A 100 SER OG : rot -78:sc= 0.668 USER MOD Single : A 106 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.905 13.120 -8.678 1.00 0.00 N ATOM 2 CA MET A 1 0.568 13.520 -8.187 1.00 0.00 C ATOM 3 C MET A 1 -0.012 12.422 -7.302 1.00 0.00 C ATOM 4 O MET A 1 -0.020 11.253 -7.685 1.00 0.00 O ATOM 5 CB MET A 1 -0.375 13.787 -9.365 1.00 0.00 C ATOM 6 CG MET A 1 0.105 14.886 -10.305 1.00 0.00 C ATOM 7 SD MET A 1 0.093 16.521 -9.545 1.00 0.00 S ATOM 8 CE MET A 1 -1.668 16.793 -9.348 1.00 0.00 C ATOM 0 H1 MET A 1 2.308 13.888 -9.253 1.00 0.00 H new ATOM 0 H2 MET A 1 2.529 12.929 -7.868 1.00 0.00 H new ATOM 0 H3 MET A 1 1.819 12.262 -9.259 1.00 0.00 H new ATOM 0 HA MET A 1 0.671 14.435 -7.604 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.500 12.865 -9.934 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.357 14.058 -8.977 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.116 14.654 -10.639 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.528 14.899 -11.192 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.859 17.858 -9.215 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.192 16.438 -10.235 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.025 16.248 -8.474 1.00 0.00 H new ATOM 20 N ILE A 2 -0.478 12.791 -6.116 1.00 0.00 N ATOM 21 CA ILE A 2 -1.122 11.836 -5.223 1.00 0.00 C ATOM 22 C ILE A 2 -2.529 11.523 -5.732 1.00 0.00 C ATOM 23 O ILE A 2 -3.401 12.395 -5.777 1.00 0.00 O ATOM 24 CB ILE A 2 -1.188 12.352 -3.762 1.00 0.00 C ATOM 25 CG1 ILE A 2 -2.027 11.405 -2.895 1.00 0.00 C ATOM 26 CG2 ILE A 2 -1.739 13.773 -3.702 1.00 0.00 C ATOM 27 CD1 ILE A 2 -2.168 11.855 -1.457 1.00 0.00 C ATOM 0 H ILE A 2 -0.423 13.742 -5.751 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.518 10.929 -5.219 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.173 12.374 -3.366 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.020 11.309 -3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.573 10.414 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.773 14.107 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.094 14.438 -4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.745 13.791 -4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.774 11.134 -0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.181 11.923 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.650 12.832 -1.427 1.00 0.00 H new ATOM 39 N ARG A 3 -2.740 10.291 -6.159 1.00 0.00 N ATOM 40 CA ARG A 3 -3.972 9.899 -6.752 1.00 0.00 C ATOM 41 C ARG A 3 -4.509 8.621 -6.126 1.00 0.00 C ATOM 42 O ARG A 3 -3.816 7.931 -5.383 1.00 0.00 O ATOM 43 CB ARG A 3 -3.734 9.680 -8.226 1.00 0.00 C ATOM 44 CG ARG A 3 -3.611 10.954 -9.049 1.00 0.00 C ATOM 45 CD ARG A 3 -4.852 11.822 -8.940 1.00 0.00 C ATOM 46 NE ARG A 3 -4.740 13.036 -9.744 1.00 0.00 N ATOM 47 CZ ARG A 3 -5.083 14.250 -9.312 1.00 0.00 C ATOM 48 NH1 ARG A 3 -5.521 14.425 -8.069 1.00 0.00 N ATOM 49 NH2 ARG A 3 -4.972 15.296 -10.120 1.00 0.00 N ATOM 0 H ARG A 3 -2.049 9.543 -6.097 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.712 10.682 -6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.823 9.095 -8.350 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.553 9.083 -8.627 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.742 11.520 -8.714 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.440 10.696 -10.094 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.723 11.252 -9.263 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.016 12.091 -7.897 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.377 12.950 -10.694 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.597 13.627 -7.438 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.781 15.357 -7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.625 15.171 -11.071 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.234 16.225 -9.791 1.00 0.00 H new ATOM 63 N PHE A 4 -5.750 8.324 -6.431 1.00 0.00 N ATOM 64 CA PHE A 4 -6.400 7.107 -5.969 1.00 0.00 C ATOM 65 C PHE A 4 -7.070 6.428 -7.154 1.00 0.00 C ATOM 66 O PHE A 4 -7.868 7.050 -7.855 1.00 0.00 O ATOM 67 CB PHE A 4 -7.468 7.424 -4.913 1.00 0.00 C ATOM 68 CG PHE A 4 -6.948 8.110 -3.681 1.00 0.00 C ATOM 69 CD1 PHE A 4 -6.802 9.488 -3.644 1.00 0.00 C ATOM 70 CD2 PHE A 4 -6.619 7.376 -2.556 1.00 0.00 C ATOM 71 CE1 PHE A 4 -6.335 10.119 -2.509 1.00 0.00 C ATOM 72 CE2 PHE A 4 -6.153 8.002 -1.419 1.00 0.00 C ATOM 73 CZ PHE A 4 -6.009 9.375 -1.394 1.00 0.00 C ATOM 0 H PHE A 4 -6.345 8.918 -7.009 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.648 6.456 -5.523 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.233 8.053 -5.367 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -7.954 6.494 -4.617 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.057 10.075 -4.514 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.728 6.302 -2.568 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.225 11.193 -2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.900 7.417 -0.547 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.642 9.865 -0.504 1.00 0.00 H new ATOM 83 N GLU A 5 -6.749 5.171 -7.391 1.00 0.00 N ATOM 84 CA GLU A 5 -7.371 4.433 -8.467 1.00 0.00 C ATOM 85 C GLU A 5 -8.014 3.194 -7.922 1.00 0.00 C ATOM 86 O GLU A 5 -7.501 2.086 -8.048 1.00 0.00 O ATOM 87 CB GLU A 5 -6.351 4.049 -9.531 1.00 0.00 C ATOM 88 CG GLU A 5 -5.522 5.201 -10.069 1.00 0.00 C ATOM 89 CD GLU A 5 -4.510 4.731 -11.091 1.00 0.00 C ATOM 90 OE1 GLU A 5 -4.269 3.504 -11.176 1.00 0.00 O ATOM 91 OE2 GLU A 5 -3.955 5.578 -11.822 1.00 0.00 O ATOM 0 H GLU A 5 -6.062 4.642 -6.853 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.125 5.072 -8.927 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.678 3.300 -9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.875 3.579 -10.363 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.180 5.943 -10.522 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.006 5.694 -9.245 1.00 0.00 H new ATOM 98 N ILE A 6 -9.157 3.390 -7.346 1.00 0.00 N ATOM 99 CA ILE A 6 -9.865 2.319 -6.729 1.00 0.00 C ATOM 100 C ILE A 6 -10.895 1.767 -7.692 1.00 0.00 C ATOM 101 O ILE A 6 -11.662 2.509 -8.306 1.00 0.00 O ATOM 102 CB ILE A 6 -10.595 2.821 -5.487 1.00 0.00 C ATOM 103 CG1 ILE A 6 -9.591 3.293 -4.435 1.00 0.00 C ATOM 104 CG2 ILE A 6 -11.526 1.735 -4.916 1.00 0.00 C ATOM 105 CD1 ILE A 6 -10.216 4.102 -3.322 1.00 0.00 C ATOM 0 H ILE A 6 -9.623 4.295 -7.291 1.00 0.00 H new ATOM 0 HA ILE A 6 -9.150 1.544 -6.453 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.216 3.670 -5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.092 2.424 -4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.823 3.893 -4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -12.034 2.119 -4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.266 1.458 -5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.938 0.858 -4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.444 4.403 -2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.691 4.990 -3.740 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.964 3.498 -2.809 1.00 0.00 H new ATOM 117 N HIS A 7 -10.877 0.476 -7.832 1.00 0.00 N ATOM 118 CA HIS A 7 -11.919 -0.245 -8.516 1.00 0.00 C ATOM 119 C HIS A 7 -12.646 -1.067 -7.505 1.00 0.00 C ATOM 120 O HIS A 7 -12.262 -2.208 -7.239 1.00 0.00 O ATOM 121 CB HIS A 7 -11.367 -1.184 -9.563 1.00 0.00 C ATOM 122 CG HIS A 7 -11.061 -0.534 -10.877 1.00 0.00 C ATOM 123 ND1 HIS A 7 -11.946 -0.520 -11.936 1.00 0.00 N ATOM 124 CD2 HIS A 7 -9.958 0.126 -11.304 1.00 0.00 C ATOM 125 CE1 HIS A 7 -11.398 0.118 -12.955 1.00 0.00 C ATOM 126 NE2 HIS A 7 -10.195 0.519 -12.597 1.00 0.00 N ATOM 0 H HIS A 7 -10.131 -0.118 -7.471 1.00 0.00 H new ATOM 0 HA HIS A 7 -12.567 0.478 -9.011 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.457 -1.643 -9.178 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.085 -1.988 -9.727 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.060 0.309 -10.733 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -11.858 0.283 -13.918 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -9.544 1.038 -13.186 1.00 0.00 H new ATOM 135 N GLY A 8 -13.665 -0.520 -6.909 1.00 0.00 N ATOM 136 CA GLY A 8 -14.256 -1.247 -5.848 1.00 0.00 C ATOM 137 C GLY A 8 -15.622 -1.816 -6.193 1.00 0.00 C ATOM 138 O GLY A 8 -16.556 -1.076 -6.494 1.00 0.00 O ATOM 0 H GLY A 8 -14.082 0.384 -7.131 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.592 -2.063 -5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.351 -0.595 -4.980 1.00 0.00 H new ATOM 142 N ASP A 9 -15.733 -3.136 -6.153 1.00 0.00 N ATOM 143 CA ASP A 9 -17.000 -3.814 -6.391 1.00 0.00 C ATOM 144 C ASP A 9 -17.712 -4.063 -5.071 1.00 0.00 C ATOM 145 O ASP A 9 -17.465 -5.062 -4.385 1.00 0.00 O ATOM 146 CB ASP A 9 -16.778 -5.139 -7.127 1.00 0.00 C ATOM 147 CG ASP A 9 -18.059 -5.932 -7.305 1.00 0.00 C ATOM 148 OD1 ASP A 9 -18.878 -5.565 -8.175 1.00 0.00 O ATOM 149 OD2 ASP A 9 -18.247 -6.941 -6.592 1.00 0.00 O ATOM 0 H ASP A 9 -14.954 -3.764 -5.956 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.621 -3.174 -7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.341 -4.938 -8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.057 -5.741 -6.574 1.00 0.00 H new ATOM 154 N ASN A 10 -18.569 -3.126 -4.699 1.00 0.00 N ATOM 155 CA ASN A 10 -19.351 -3.239 -3.477 1.00 0.00 C ATOM 156 C ASN A 10 -20.829 -3.107 -3.800 1.00 0.00 C ATOM 157 O ASN A 10 -21.193 -2.922 -4.962 1.00 0.00 O ATOM 158 CB ASN A 10 -18.965 -2.153 -2.461 1.00 0.00 C ATOM 159 CG ASN A 10 -17.499 -2.176 -2.057 1.00 0.00 C ATOM 160 OD1 ASN A 10 -16.858 -3.326 -2.175 1.00 0.00 O flip ATOM 161 ND2 ASN A 10 -16.940 -1.157 -1.662 1.00 0.00 N flip ATOM 0 H ASN A 10 -18.742 -2.272 -5.230 1.00 0.00 H new ATOM 0 HA ASN A 10 -19.144 -4.215 -3.039 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -19.200 -1.176 -2.883 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -19.579 -2.271 -1.568 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.464 -0.286 -1.583 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.951 -1.182 -1.413 1.00 0.00 H new ATOM 168 N LEU A 11 -21.678 -3.195 -2.782 1.00 0.00 N ATOM 169 CA LEU A 11 -23.099 -2.927 -2.956 1.00 0.00 C ATOM 170 C LEU A 11 -23.282 -1.473 -3.381 1.00 0.00 C ATOM 171 O LEU A 11 -24.155 -1.141 -4.186 1.00 0.00 O ATOM 172 CB LEU A 11 -23.857 -3.201 -1.654 1.00 0.00 C ATOM 173 CG LEU A 11 -25.376 -3.034 -1.728 1.00 0.00 C ATOM 174 CD1 LEU A 11 -25.984 -4.065 -2.666 1.00 0.00 C ATOM 175 CD2 LEU A 11 -25.987 -3.146 -0.341 1.00 0.00 C ATOM 0 H LEU A 11 -21.408 -3.449 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 11 -23.501 -3.585 -3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -23.636 -4.219 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -23.473 -2.533 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 11 -25.596 -2.043 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -27.065 -3.929 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -25.567 -3.939 -3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -25.757 -5.067 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -27.068 -3.025 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -25.757 -4.125 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -25.575 -2.368 0.302 1.00 0.00 H new ATOM 187 N THR A 12 -22.438 -0.618 -2.823 1.00 0.00 N ATOM 188 CA THR A 12 -22.390 0.782 -3.192 1.00 0.00 C ATOM 189 C THR A 12 -21.054 1.383 -2.747 1.00 0.00 C ATOM 190 O THR A 12 -20.591 1.132 -1.631 1.00 0.00 O ATOM 191 CB THR A 12 -23.575 1.572 -2.580 1.00 0.00 C ATOM 192 OG1 THR A 12 -23.556 2.935 -3.026 1.00 0.00 O ATOM 193 CG2 THR A 12 -23.547 1.534 -1.059 1.00 0.00 C ATOM 0 H THR A 12 -21.767 -0.880 -2.100 1.00 0.00 H new ATOM 0 HA THR A 12 -22.476 0.856 -4.276 1.00 0.00 H new ATOM 0 HB THR A 12 -24.493 1.092 -2.919 1.00 0.00 H new ATOM 0 HG1 THR A 12 -24.312 3.419 -2.632 1.00 0.00 H new ATOM 0 HG21 THR A 12 -24.392 2.098 -0.665 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.611 0.500 -0.720 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.617 1.976 -0.701 1.00 0.00 H new ATOM 201 N ILE A 13 -20.415 2.133 -3.631 1.00 0.00 N ATOM 202 CA ILE A 13 -19.150 2.777 -3.308 1.00 0.00 C ATOM 203 C ILE A 13 -19.395 4.176 -2.763 1.00 0.00 C ATOM 204 O ILE A 13 -19.822 5.078 -3.485 1.00 0.00 O ATOM 205 CB ILE A 13 -18.196 2.835 -4.524 1.00 0.00 C ATOM 206 CG1 ILE A 13 -18.949 3.262 -5.790 1.00 0.00 C ATOM 207 CG2 ILE A 13 -17.522 1.485 -4.723 1.00 0.00 C ATOM 208 CD1 ILE A 13 -18.073 3.358 -7.020 1.00 0.00 C ATOM 0 H ILE A 13 -20.751 2.311 -4.578 1.00 0.00 H new ATOM 0 HA ILE A 13 -18.664 2.171 -2.543 1.00 0.00 H new ATOM 0 HB ILE A 13 -17.427 3.582 -4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -19.751 2.549 -5.982 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -19.418 4.230 -5.613 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.852 1.536 -5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.950 1.229 -3.831 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -18.280 0.722 -4.899 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -18.677 3.665 -7.874 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -17.286 4.092 -6.850 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -17.624 2.386 -7.224 1.00 0.00 H new ATOM 220 N THR A 14 -19.142 4.348 -1.477 1.00 0.00 N ATOM 221 CA THR A 14 -19.471 5.586 -0.799 1.00 0.00 C ATOM 222 C THR A 14 -18.223 6.385 -0.447 1.00 0.00 C ATOM 223 O THR A 14 -17.097 5.925 -0.660 1.00 0.00 O ATOM 224 CB THR A 14 -20.272 5.302 0.484 1.00 0.00 C ATOM 225 OG1 THR A 14 -19.581 4.328 1.279 1.00 0.00 O ATOM 226 CG2 THR A 14 -21.669 4.802 0.155 1.00 0.00 C ATOM 0 H THR A 14 -18.708 3.642 -0.881 1.00 0.00 H new ATOM 0 HA THR A 14 -20.076 6.178 -1.486 1.00 0.00 H new ATOM 0 HB THR A 14 -20.366 6.232 1.044 1.00 0.00 H new ATOM 0 HG1 THR A 14 -20.092 4.150 2.096 1.00 0.00 H new ATOM 0 HG21 THR A 14 -22.213 4.609 1.079 1.00 0.00 H new ATOM 0 HG22 THR A 14 -22.198 5.557 -0.427 1.00 0.00 H new ATOM 0 HG23 THR A 14 -21.599 3.881 -0.424 1.00 0.00 H new ATOM 234 N ASP A 15 -18.427 7.576 0.102 1.00 0.00 N ATOM 235 CA ASP A 15 -17.322 8.420 0.538 1.00 0.00 C ATOM 236 C ASP A 15 -16.591 7.768 1.699 1.00 0.00 C ATOM 237 O ASP A 15 -15.418 8.030 1.924 1.00 0.00 O ATOM 238 CB ASP A 15 -17.822 9.804 0.960 1.00 0.00 C ATOM 239 CG ASP A 15 -18.441 10.574 -0.184 1.00 0.00 C ATOM 240 OD1 ASP A 15 -19.661 10.424 -0.418 1.00 0.00 O ATOM 241 OD2 ASP A 15 -17.716 11.331 -0.862 1.00 0.00 O ATOM 0 H ASP A 15 -19.351 7.980 0.256 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.637 8.538 -0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.557 9.693 1.757 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.990 10.377 1.370 1.00 0.00 H new ATOM 246 N ALA A 16 -17.307 6.910 2.420 1.00 0.00 N ATOM 247 CA ALA A 16 -16.760 6.174 3.559 1.00 0.00 C ATOM 248 C ALA A 16 -15.424 5.533 3.229 1.00 0.00 C ATOM 249 O ALA A 16 -14.396 5.883 3.800 1.00 0.00 O ATOM 250 CB ALA A 16 -17.730 5.086 3.974 1.00 0.00 C ATOM 0 H ALA A 16 -18.288 6.704 2.231 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.610 6.888 4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.321 4.538 4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.682 5.536 4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -17.886 4.400 3.141 1.00 0.00 H new ATOM 256 N ILE A 17 -15.464 4.591 2.301 1.00 0.00 N ATOM 257 CA ILE A 17 -14.284 3.845 1.895 1.00 0.00 C ATOM 258 C ILE A 17 -13.283 4.749 1.220 1.00 0.00 C ATOM 259 O ILE A 17 -12.086 4.661 1.462 1.00 0.00 O ATOM 260 CB ILE A 17 -14.658 2.720 0.921 1.00 0.00 C ATOM 261 CG1 ILE A 17 -15.365 1.584 1.662 1.00 0.00 C ATOM 262 CG2 ILE A 17 -13.431 2.186 0.185 1.00 0.00 C ATOM 263 CD1 ILE A 17 -16.831 1.835 1.943 1.00 0.00 C ATOM 0 H ILE A 17 -16.315 4.322 1.808 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.844 3.419 2.797 1.00 0.00 H new ATOM 0 HB ILE A 17 -15.339 3.138 0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.272 0.671 1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -14.852 1.409 2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.733 1.391 -0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.967 2.993 -0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.716 1.793 0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -17.252 0.979 2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -16.936 2.728 2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -17.362 1.979 1.002 1.00 0.00 H new ATOM 275 N ARG A 18 -13.789 5.612 0.359 1.00 0.00 N ATOM 276 CA ARG A 18 -12.925 6.482 -0.387 1.00 0.00 C ATOM 277 C ARG A 18 -12.108 7.328 0.583 1.00 0.00 C ATOM 278 O ARG A 18 -10.880 7.416 0.484 1.00 0.00 O ATOM 279 CB ARG A 18 -13.724 7.356 -1.353 1.00 0.00 C ATOM 280 CG ARG A 18 -14.301 6.572 -2.520 1.00 0.00 C ATOM 281 CD ARG A 18 -15.108 7.456 -3.456 1.00 0.00 C ATOM 282 NE ARG A 18 -15.498 6.738 -4.669 1.00 0.00 N ATOM 283 CZ ARG A 18 -16.400 7.177 -5.545 1.00 0.00 C ATOM 284 NH1 ARG A 18 -17.053 8.311 -5.322 1.00 0.00 N ATOM 285 NH2 ARG A 18 -16.651 6.476 -6.641 1.00 0.00 N ATOM 0 H ARG A 18 -14.784 5.723 0.166 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.246 5.881 -0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.536 7.840 -0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.080 8.148 -1.736 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.491 6.100 -3.076 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.936 5.771 -2.140 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -16.000 7.814 -2.941 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.521 8.334 -3.725 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.049 5.841 -4.857 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.865 8.850 -4.477 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.743 8.643 -5.996 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.154 5.602 -6.812 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.341 6.810 -7.313 1.00 0.00 H new ATOM 299 N ASN A 19 -12.804 7.897 1.561 1.00 0.00 N ATOM 300 CA ASN A 19 -12.159 8.613 2.646 1.00 0.00 C ATOM 301 C ASN A 19 -11.264 7.659 3.422 1.00 0.00 C ATOM 302 O ASN A 19 -10.123 7.971 3.676 1.00 0.00 O ATOM 303 CB ASN A 19 -13.188 9.238 3.591 1.00 0.00 C ATOM 304 CG ASN A 19 -12.540 10.146 4.620 1.00 0.00 C ATOM 305 OD1 ASN A 19 -11.528 10.788 4.347 1.00 0.00 O ATOM 306 ND2 ASN A 19 -13.108 10.202 5.811 1.00 0.00 N ATOM 0 H ASN A 19 -13.822 7.874 1.621 1.00 0.00 H new ATOM 0 HA ASN A 19 -11.562 9.418 2.217 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.913 9.808 3.011 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.738 8.447 4.101 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -12.707 10.792 6.540 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -13.948 9.655 6.002 1.00 0.00 H new ATOM 313 N TYR A 20 -11.789 6.476 3.739 1.00 0.00 N ATOM 314 CA TYR A 20 -11.059 5.439 4.472 1.00 0.00 C ATOM 315 C TYR A 20 -9.679 5.213 3.839 1.00 0.00 C ATOM 316 O TYR A 20 -8.659 5.159 4.529 1.00 0.00 O ATOM 317 CB TYR A 20 -11.893 4.147 4.420 1.00 0.00 C ATOM 318 CG TYR A 20 -12.020 3.353 5.712 1.00 0.00 C ATOM 319 CD1 TYR A 20 -12.598 3.916 6.841 1.00 0.00 C ATOM 320 CD2 TYR A 20 -11.641 2.016 5.774 1.00 0.00 C ATOM 321 CE1 TYR A 20 -12.800 3.183 7.989 1.00 0.00 C ATOM 322 CE2 TYR A 20 -11.827 1.277 6.927 1.00 0.00 C ATOM 323 CZ TYR A 20 -12.414 1.868 8.030 1.00 0.00 C ATOM 324 OH TYR A 20 -12.636 1.130 9.170 1.00 0.00 O ATOM 0 H TYR A 20 -12.741 6.207 3.493 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.904 5.744 5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -12.896 4.405 4.081 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -11.459 3.494 3.663 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -12.896 4.954 6.819 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.195 1.549 4.909 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.260 3.641 8.852 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -11.515 0.244 6.966 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.885 0.517 9.315 1.00 0.00 H new ATOM 334 N ILE A 21 -9.661 5.180 2.506 1.00 0.00 N ATOM 335 CA ILE A 21 -8.474 4.855 1.754 1.00 0.00 C ATOM 336 C ILE A 21 -7.667 6.104 1.661 1.00 0.00 C ATOM 337 O ILE A 21 -6.436 6.088 1.588 1.00 0.00 O ATOM 338 CB ILE A 21 -8.834 4.401 0.331 1.00 0.00 C ATOM 339 CG1 ILE A 21 -9.704 3.139 0.358 1.00 0.00 C ATOM 340 CG2 ILE A 21 -7.578 4.168 -0.504 1.00 0.00 C ATOM 341 CD1 ILE A 21 -9.038 1.943 1.008 1.00 0.00 C ATOM 0 H ILE A 21 -10.477 5.380 1.927 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.932 4.047 2.245 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.410 5.201 -0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.629 3.360 0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.978 2.878 -0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.862 3.847 -1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.006 5.094 -0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.968 3.396 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.718 1.092 0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.127 1.693 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.789 2.183 2.042 1.00 0.00 H new ATOM 353 N GLU A 22 -8.398 7.199 1.701 1.00 0.00 N ATOM 354 CA GLU A 22 -7.796 8.486 1.609 1.00 0.00 C ATOM 355 C GLU A 22 -6.973 8.727 2.865 1.00 0.00 C ATOM 356 O GLU A 22 -5.915 9.358 2.840 1.00 0.00 O ATOM 357 CB GLU A 22 -8.854 9.571 1.425 1.00 0.00 C ATOM 358 CG GLU A 22 -8.286 10.944 1.124 1.00 0.00 C ATOM 359 CD GLU A 22 -9.362 12.000 1.031 1.00 0.00 C ATOM 360 OE1 GLU A 22 -9.955 12.155 -0.056 1.00 0.00 O ATOM 361 OE2 GLU A 22 -9.618 12.685 2.044 1.00 0.00 O ATOM 0 H GLU A 22 -9.413 7.209 1.797 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.144 8.525 0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.521 9.279 0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.459 9.630 2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.575 11.220 1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.732 10.908 0.186 1.00 0.00 H new ATOM 368 N GLU A 23 -7.480 8.175 3.958 1.00 0.00 N ATOM 369 CA GLU A 23 -6.817 8.216 5.244 1.00 0.00 C ATOM 370 C GLU A 23 -5.650 7.247 5.247 1.00 0.00 C ATOM 371 O GLU A 23 -4.590 7.561 5.773 1.00 0.00 O ATOM 372 CB GLU A 23 -7.809 7.857 6.349 1.00 0.00 C ATOM 373 CG GLU A 23 -9.143 8.555 6.180 1.00 0.00 C ATOM 374 CD GLU A 23 -10.139 8.210 7.269 1.00 0.00 C ATOM 375 OE1 GLU A 23 -10.126 8.880 8.323 1.00 0.00 O ATOM 376 OE2 GLU A 23 -10.936 7.267 7.082 1.00 0.00 O ATOM 0 H GLU A 23 -8.373 7.682 3.972 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.440 9.222 5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.965 6.778 6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.383 8.124 7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.983 9.633 6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.566 8.287 5.212 1.00 0.00 H new ATOM 383 N LYS A 24 -5.851 6.061 4.658 1.00 0.00 N ATOM 384 CA LYS A 24 -4.732 5.134 4.475 1.00 0.00 C ATOM 385 C LYS A 24 -3.577 5.853 3.795 1.00 0.00 C ATOM 386 O LYS A 24 -2.513 6.014 4.383 1.00 0.00 O ATOM 387 CB LYS A 24 -5.118 3.892 3.661 1.00 0.00 C ATOM 388 CG LYS A 24 -5.703 2.770 4.502 1.00 0.00 C ATOM 389 CD LYS A 24 -7.209 2.700 4.380 1.00 0.00 C ATOM 390 CE LYS A 24 -7.856 2.398 5.715 1.00 0.00 C ATOM 391 NZ LYS A 24 -7.623 3.494 6.692 1.00 0.00 N ATOM 0 H LYS A 24 -6.751 5.729 4.310 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.434 4.790 5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.842 4.179 2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.236 3.521 3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.269 1.820 4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.430 2.919 5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.589 3.646 3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.482 1.930 3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.928 2.253 5.577 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.457 1.464 6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.263 3.378 7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.637 3.462 7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.806 4.410 6.236 1.00 0.00 H new ATOM 405 N ILE A 25 -3.819 6.324 2.575 1.00 0.00 N ATOM 406 CA ILE A 25 -2.806 7.050 1.818 1.00 0.00 C ATOM 407 C ILE A 25 -2.326 8.275 2.588 1.00 0.00 C ATOM 408 O ILE A 25 -1.167 8.646 2.495 1.00 0.00 O ATOM 409 CB ILE A 25 -3.328 7.458 0.420 1.00 0.00 C ATOM 410 CG1 ILE A 25 -3.457 6.220 -0.473 1.00 0.00 C ATOM 411 CG2 ILE A 25 -2.417 8.491 -0.234 1.00 0.00 C ATOM 412 CD1 ILE A 25 -2.127 5.590 -0.838 1.00 0.00 C ATOM 0 H ILE A 25 -4.709 6.215 2.090 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.960 6.378 1.676 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.310 7.913 0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.073 5.478 0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.981 6.496 -1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.812 8.756 -1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.370 9.383 0.391 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.416 8.074 -0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.298 4.719 -1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.516 6.315 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.609 5.282 0.070 1.00 0.00 H new ATOM 424 N GLY A 26 -3.212 8.878 3.367 1.00 0.00 N ATOM 425 CA GLY A 26 -2.815 9.983 4.217 1.00 0.00 C ATOM 426 C GLY A 26 -1.793 9.567 5.262 1.00 0.00 C ATOM 427 O GLY A 26 -0.828 10.290 5.523 1.00 0.00 O ATOM 0 H GLY A 26 -4.198 8.623 3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.399 10.781 3.602 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.695 10.391 4.714 1.00 0.00 H new ATOM 431 N LYS A 27 -1.977 8.378 5.838 1.00 0.00 N ATOM 432 CA LYS A 27 -1.095 7.922 6.890 1.00 0.00 C ATOM 433 C LYS A 27 0.190 7.431 6.267 1.00 0.00 C ATOM 434 O LYS A 27 1.270 7.537 6.848 1.00 0.00 O ATOM 435 CB LYS A 27 -1.739 6.820 7.726 1.00 0.00 C ATOM 436 CG LYS A 27 -2.525 7.316 8.939 1.00 0.00 C ATOM 437 CD LYS A 27 -3.733 8.155 8.543 1.00 0.00 C ATOM 438 CE LYS A 27 -4.574 8.548 9.750 1.00 0.00 C ATOM 439 NZ LYS A 27 -3.857 9.485 10.655 1.00 0.00 N ATOM 0 H LYS A 27 -2.722 7.727 5.591 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.889 8.754 7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.408 6.243 7.088 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.959 6.140 8.069 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.857 6.461 9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.868 7.907 9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.397 9.054 8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.348 7.595 7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.500 9.012 9.410 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.852 7.651 10.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.486 9.764 11.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.013 9.016 11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.570 10.331 10.122 1.00 0.00 H new ATOM 453 N LEU A 28 0.052 6.908 5.061 1.00 0.00 N ATOM 454 CA LEU A 28 1.186 6.452 4.291 1.00 0.00 C ATOM 455 C LEU A 28 1.997 7.644 3.808 1.00 0.00 C ATOM 456 O LEU A 28 3.224 7.646 3.875 1.00 0.00 O ATOM 457 CB LEU A 28 0.695 5.611 3.128 1.00 0.00 C ATOM 458 CG LEU A 28 -0.283 4.541 3.573 1.00 0.00 C ATOM 459 CD1 LEU A 28 -0.929 3.845 2.384 1.00 0.00 C ATOM 460 CD2 LEU A 28 0.404 3.528 4.467 1.00 0.00 C ATOM 0 H LEU A 28 -0.847 6.790 4.594 1.00 0.00 H new ATOM 0 HA LEU A 28 1.835 5.837 4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.216 6.256 2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.546 5.142 2.635 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.072 5.033 4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.624 3.085 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.469 4.577 1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.157 3.374 1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.315 2.769 4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.220 3.055 3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.801 4.031 5.349 1.00 0.00 H new ATOM 472 N GLU A 29 1.285 8.665 3.346 1.00 0.00 N ATOM 473 CA GLU A 29 1.889 9.917 2.924 1.00 0.00 C ATOM 474 C GLU A 29 2.675 10.529 4.068 1.00 0.00 C ATOM 475 O GLU A 29 3.803 10.979 3.884 1.00 0.00 O ATOM 476 CB GLU A 29 0.811 10.905 2.472 1.00 0.00 C ATOM 477 CG GLU A 29 1.360 12.240 2.004 1.00 0.00 C ATOM 478 CD GLU A 29 0.293 13.302 1.886 1.00 0.00 C ATOM 479 OE1 GLU A 29 -0.535 13.223 0.962 1.00 0.00 O ATOM 480 OE2 GLU A 29 0.281 14.237 2.716 1.00 0.00 O ATOM 0 H GLU A 29 0.269 8.645 3.254 1.00 0.00 H new ATOM 0 HA GLU A 29 2.559 9.709 2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.236 10.455 1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.120 11.076 3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.126 12.577 2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.845 12.109 1.037 1.00 0.00 H new ATOM 487 N ARG A 30 2.076 10.529 5.256 1.00 0.00 N ATOM 488 CA ARG A 30 2.710 11.140 6.419 1.00 0.00 C ATOM 489 C ARG A 30 3.967 10.412 6.882 1.00 0.00 C ATOM 490 O ARG A 30 4.677 10.904 7.759 1.00 0.00 O ATOM 491 CB ARG A 30 1.734 11.271 7.562 1.00 0.00 C ATOM 492 CG ARG A 30 0.698 12.366 7.364 1.00 0.00 C ATOM 493 CD ARG A 30 1.347 13.716 7.104 1.00 0.00 C ATOM 494 NE ARG A 30 2.351 14.054 8.114 1.00 0.00 N ATOM 495 CZ ARG A 30 3.145 15.122 8.042 1.00 0.00 C ATOM 496 NH1 ARG A 30 3.049 15.956 7.014 1.00 0.00 N ATOM 497 NH2 ARG A 30 4.037 15.352 9.000 1.00 0.00 N ATOM 0 H ARG A 30 1.161 10.117 5.437 1.00 0.00 H new ATOM 0 HA ARG A 30 3.025 12.132 6.095 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.221 10.319 7.700 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.288 11.470 8.479 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.050 12.107 6.527 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.064 12.431 8.249 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.814 13.708 6.119 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.578 14.489 7.086 1.00 0.00 H new ATOM 0 HE ARG A 30 2.449 13.436 8.920 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.366 15.780 6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.658 16.773 6.961 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.114 14.711 9.790 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.645 16.169 8.945 1.00 0.00 H new ATOM 511 N TYR A 31 4.262 9.258 6.301 1.00 0.00 N ATOM 512 CA TYR A 31 5.537 8.609 6.565 1.00 0.00 C ATOM 513 C TYR A 31 6.652 9.407 5.905 1.00 0.00 C ATOM 514 O TYR A 31 7.817 9.313 6.289 1.00 0.00 O ATOM 515 CB TYR A 31 5.565 7.168 6.040 1.00 0.00 C ATOM 516 CG TYR A 31 4.601 6.223 6.730 1.00 0.00 C ATOM 517 CD1 TYR A 31 4.369 6.300 8.098 1.00 0.00 C ATOM 518 CD2 TYR A 31 3.931 5.245 6.008 1.00 0.00 C ATOM 519 CE1 TYR A 31 3.496 5.429 8.725 1.00 0.00 C ATOM 520 CE2 TYR A 31 3.057 4.372 6.628 1.00 0.00 C ATOM 521 CZ TYR A 31 2.842 4.468 7.984 1.00 0.00 C ATOM 522 OH TYR A 31 1.968 3.599 8.602 1.00 0.00 O ATOM 0 H TYR A 31 3.649 8.760 5.656 1.00 0.00 H new ATOM 0 HA TYR A 31 5.678 8.574 7.645 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.340 7.180 4.974 1.00 0.00 H new ATOM 0 HB3 TYR A 31 6.576 6.776 6.148 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.879 7.052 8.681 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.095 5.165 4.944 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.328 5.502 9.789 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.544 3.617 6.050 1.00 0.00 H new ATOM 0 HH TYR A 31 1.591 2.986 7.937 1.00 0.00 H new ATOM 532 N PHE A 32 6.276 10.201 4.909 1.00 0.00 N ATOM 533 CA PHE A 32 7.211 10.962 4.135 1.00 0.00 C ATOM 534 C PHE A 32 6.922 12.441 4.268 1.00 0.00 C ATOM 535 O PHE A 32 5.848 12.835 4.722 1.00 0.00 O ATOM 536 CB PHE A 32 7.057 10.609 2.670 1.00 0.00 C ATOM 537 CG PHE A 32 6.591 9.198 2.395 1.00 0.00 C ATOM 538 CD1 PHE A 32 5.440 8.964 1.662 1.00 0.00 C ATOM 539 CD2 PHE A 32 7.309 8.109 2.867 1.00 0.00 C ATOM 540 CE1 PHE A 32 5.015 7.677 1.402 1.00 0.00 C ATOM 541 CE2 PHE A 32 6.885 6.819 2.612 1.00 0.00 C ATOM 542 CZ PHE A 32 5.738 6.602 1.879 1.00 0.00 C ATOM 0 H PHE A 32 5.304 10.326 4.625 1.00 0.00 H new ATOM 0 HA PHE A 32 8.215 10.735 4.495 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.349 11.303 2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.015 10.762 2.173 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.867 9.800 1.289 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.210 8.271 3.440 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.117 7.511 0.825 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.453 5.980 2.987 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.406 5.594 1.678 1.00 0.00 H new ATOM 552 N ASN A 33 7.882 13.259 3.894 1.00 0.00 N ATOM 553 CA ASN A 33 7.610 14.667 3.690 1.00 0.00 C ATOM 554 C ASN A 33 8.008 15.077 2.278 1.00 0.00 C ATOM 555 O ASN A 33 7.933 16.251 1.907 1.00 0.00 O ATOM 556 CB ASN A 33 8.331 15.537 4.733 1.00 0.00 C ATOM 557 CG ASN A 33 9.839 15.599 4.530 1.00 0.00 C ATOM 558 OD1 ASN A 33 10.457 14.669 4.008 1.00 0.00 O ATOM 559 ND2 ASN A 33 10.447 16.697 4.949 1.00 0.00 N ATOM 0 H ASN A 33 8.848 12.979 3.726 1.00 0.00 H new ATOM 0 HA ASN A 33 6.539 14.827 3.816 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.925 16.548 4.695 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.122 15.146 5.729 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.457 16.792 4.844 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.906 17.448 5.377 1.00 0.00 H new ATOM 566 N ASP A 34 8.440 14.094 1.500 1.00 0.00 N ATOM 567 CA ASP A 34 8.961 14.318 0.187 1.00 0.00 C ATOM 568 C ASP A 34 8.164 13.568 -0.869 1.00 0.00 C ATOM 569 O ASP A 34 8.692 13.209 -1.921 1.00 0.00 O ATOM 570 CB ASP A 34 10.435 13.912 0.120 1.00 0.00 C ATOM 571 CG ASP A 34 10.632 12.416 0.299 1.00 0.00 C ATOM 572 OD1 ASP A 34 10.208 11.876 1.343 1.00 0.00 O ATOM 573 OD2 ASP A 34 11.214 11.772 -0.601 1.00 0.00 O ATOM 0 H ASP A 34 8.432 13.113 1.779 1.00 0.00 H new ATOM 0 HA ASP A 34 8.874 15.384 -0.023 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.850 14.218 -0.840 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.991 14.444 0.892 1.00 0.00 H new ATOM 578 N VAL A 35 6.904 13.313 -0.577 1.00 0.00 N ATOM 579 CA VAL A 35 6.061 12.534 -1.470 1.00 0.00 C ATOM 580 C VAL A 35 5.185 13.420 -2.365 1.00 0.00 C ATOM 581 O VAL A 35 4.223 14.042 -1.908 1.00 0.00 O ATOM 582 CB VAL A 35 5.190 11.535 -0.673 1.00 0.00 C ATOM 583 CG1 VAL A 35 4.340 12.236 0.371 1.00 0.00 C ATOM 584 CG2 VAL A 35 4.315 10.706 -1.602 1.00 0.00 C ATOM 0 H VAL A 35 6.438 13.633 0.272 1.00 0.00 H new ATOM 0 HA VAL A 35 6.727 11.973 -2.126 1.00 0.00 H new ATOM 0 HB VAL A 35 5.872 10.864 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.743 11.499 0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.987 12.762 1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.679 12.951 -0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.714 10.013 -1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.658 11.366 -2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.946 10.144 -2.291 1.00 0.00 H new ATOM 594 N PRO A 36 5.541 13.525 -3.655 1.00 0.00 N ATOM 595 CA PRO A 36 4.716 14.175 -4.656 1.00 0.00 C ATOM 596 C PRO A 36 3.889 13.165 -5.457 1.00 0.00 C ATOM 597 O PRO A 36 3.033 13.536 -6.255 1.00 0.00 O ATOM 598 CB PRO A 36 5.760 14.850 -5.546 1.00 0.00 C ATOM 599 CG PRO A 36 7.003 14.016 -5.418 1.00 0.00 C ATOM 600 CD PRO A 36 6.811 13.079 -4.244 1.00 0.00 C ATOM 0 HA PRO A 36 3.984 14.860 -4.229 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.423 14.894 -6.582 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.942 15.876 -5.227 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.180 13.451 -6.333 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.875 14.651 -5.262 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.761 12.038 -4.565 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.632 13.154 -3.532 1.00 0.00 H new ATOM 608 N ASN A 37 4.150 11.885 -5.229 1.00 0.00 N ATOM 609 CA ASN A 37 3.483 10.820 -5.964 1.00 0.00 C ATOM 610 C ASN A 37 3.125 9.668 -5.036 1.00 0.00 C ATOM 611 O ASN A 37 3.999 9.081 -4.394 1.00 0.00 O ATOM 612 CB ASN A 37 4.382 10.312 -7.093 1.00 0.00 C ATOM 613 CG ASN A 37 3.762 9.171 -7.876 1.00 0.00 C ATOM 614 OD1 ASN A 37 2.543 9.097 -8.040 1.00 0.00 O ATOM 615 ND2 ASN A 37 4.601 8.274 -8.370 1.00 0.00 N ATOM 0 H ASN A 37 4.823 11.558 -4.536 1.00 0.00 H new ATOM 0 HA ASN A 37 2.565 11.225 -6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.602 11.135 -7.773 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.333 9.983 -6.673 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.245 7.485 -8.909 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.604 8.372 -8.211 1.00 0.00 H new ATOM 622 N ALA A 38 1.839 9.372 -4.957 1.00 0.00 N ATOM 623 CA ALA A 38 1.340 8.250 -4.178 1.00 0.00 C ATOM 624 C ALA A 38 -0.062 7.902 -4.670 1.00 0.00 C ATOM 625 O ALA A 38 -0.956 8.747 -4.651 1.00 0.00 O ATOM 626 CB ALA A 38 1.319 8.600 -2.693 1.00 0.00 C ATOM 0 H ALA A 38 1.109 9.904 -5.432 1.00 0.00 H new ATOM 0 HA ALA A 38 1.996 7.389 -4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.943 7.750 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.329 8.840 -2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.670 9.460 -2.531 1.00 0.00 H new ATOM 632 N VAL A 39 -0.241 6.688 -5.157 1.00 0.00 N ATOM 633 CA VAL A 39 -1.500 6.246 -5.682 1.00 0.00 C ATOM 634 C VAL A 39 -2.007 5.060 -4.872 1.00 0.00 C ATOM 635 O VAL A 39 -1.218 4.352 -4.267 1.00 0.00 O ATOM 636 CB VAL A 39 -1.308 5.831 -7.155 1.00 0.00 C ATOM 637 CG1 VAL A 39 -2.231 4.695 -7.508 1.00 0.00 C ATOM 638 CG2 VAL A 39 -1.525 7.004 -8.082 1.00 0.00 C ATOM 0 H VAL A 39 0.495 5.983 -5.195 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.230 7.053 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.280 5.491 -7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.082 4.416 -8.551 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.016 3.839 -6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.265 5.007 -7.360 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.383 6.683 -9.114 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.539 7.385 -7.956 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.810 7.792 -7.846 1.00 0.00 H new ATOM 648 N ALA A 40 -3.315 4.852 -4.842 1.00 0.00 N ATOM 649 CA ALA A 40 -3.855 3.606 -4.323 1.00 0.00 C ATOM 650 C ALA A 40 -4.764 2.970 -5.358 1.00 0.00 C ATOM 651 O ALA A 40 -5.954 3.278 -5.432 1.00 0.00 O ATOM 652 CB ALA A 40 -4.619 3.847 -3.030 1.00 0.00 C ATOM 0 H ALA A 40 -4.014 5.521 -5.166 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.027 2.930 -4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.014 2.901 -2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.948 4.277 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.443 4.536 -3.217 1.00 0.00 H new ATOM 658 N HIS A 41 -4.182 2.129 -6.189 1.00 0.00 N ATOM 659 CA HIS A 41 -4.936 1.348 -7.151 1.00 0.00 C ATOM 660 C HIS A 41 -5.463 0.111 -6.443 1.00 0.00 C ATOM 661 O HIS A 41 -4.804 -0.920 -6.392 1.00 0.00 O ATOM 662 CB HIS A 41 -4.051 0.966 -8.347 1.00 0.00 C ATOM 663 CG HIS A 41 -4.781 0.280 -9.462 1.00 0.00 C ATOM 664 ND1 HIS A 41 -5.096 0.907 -10.649 1.00 0.00 N ATOM 665 CD2 HIS A 41 -5.241 -0.989 -9.575 1.00 0.00 C ATOM 666 CE1 HIS A 41 -5.719 0.053 -11.440 1.00 0.00 C ATOM 667 NE2 HIS A 41 -5.820 -1.103 -10.813 1.00 0.00 N ATOM 0 H HIS A 41 -3.175 1.967 -6.217 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.770 1.932 -7.541 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -3.580 1.868 -8.738 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -3.250 0.314 -7.998 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -4.882 1.877 -10.880 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -5.166 -1.766 -8.829 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.085 0.265 -12.434 1.00 0.00 H new ATOM 676 N VAL A 42 -6.647 0.230 -5.887 1.00 0.00 N ATOM 677 CA VAL A 42 -7.187 -0.764 -5.004 1.00 0.00 C ATOM 678 C VAL A 42 -8.402 -1.362 -5.674 1.00 0.00 C ATOM 679 O VAL A 42 -9.028 -0.725 -6.491 1.00 0.00 O ATOM 680 CB VAL A 42 -7.572 -0.069 -3.698 1.00 0.00 C ATOM 681 CG1 VAL A 42 -8.784 -0.701 -3.066 1.00 0.00 C ATOM 682 CG2 VAL A 42 -6.398 -0.119 -2.760 1.00 0.00 C ATOM 0 H VAL A 42 -7.263 1.028 -6.040 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.470 -1.556 -4.788 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.832 0.967 -3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.026 -0.179 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.629 -0.634 -3.752 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.576 -1.749 -2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.659 0.374 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.134 -1.158 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.548 0.391 -3.213 1.00 0.00 H new ATOM 692 N LYS A 43 -8.692 -2.581 -5.354 1.00 0.00 N ATOM 693 CA LYS A 43 -9.824 -3.277 -5.929 1.00 0.00 C ATOM 694 C LYS A 43 -10.460 -4.131 -4.865 1.00 0.00 C ATOM 695 O LYS A 43 -9.948 -5.176 -4.474 1.00 0.00 O ATOM 696 CB LYS A 43 -9.398 -4.112 -7.147 1.00 0.00 C ATOM 697 CG LYS A 43 -10.535 -4.886 -7.799 1.00 0.00 C ATOM 698 CD LYS A 43 -10.026 -5.782 -8.919 1.00 0.00 C ATOM 699 CE LYS A 43 -11.146 -6.590 -9.559 1.00 0.00 C ATOM 700 NZ LYS A 43 -12.099 -5.741 -10.319 1.00 0.00 N ATOM 0 H LYS A 43 -8.156 -3.134 -4.685 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.556 -2.553 -6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.951 -3.450 -7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.624 -4.815 -6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.042 -5.492 -7.048 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.272 -4.188 -8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.540 -5.171 -9.680 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.270 -6.461 -8.525 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.715 -7.335 -10.228 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.687 -7.133 -8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.802 -6.345 -10.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.582 -5.092 -9.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.581 -5.191 -11.033 1.00 0.00 H new ATOM 714 N VAL A 44 -11.559 -3.633 -4.375 1.00 0.00 N ATOM 715 CA VAL A 44 -12.293 -4.261 -3.311 1.00 0.00 C ATOM 716 C VAL A 44 -13.504 -4.950 -3.912 1.00 0.00 C ATOM 717 O VAL A 44 -13.929 -4.622 -5.015 1.00 0.00 O ATOM 718 CB VAL A 44 -12.760 -3.216 -2.287 1.00 0.00 C ATOM 719 CG1 VAL A 44 -13.909 -2.450 -2.863 1.00 0.00 C ATOM 720 CG2 VAL A 44 -13.159 -3.861 -0.977 1.00 0.00 C ATOM 0 H VAL A 44 -11.978 -2.765 -4.708 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.652 -4.980 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.932 -2.539 -2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.247 -1.705 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.591 -1.951 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.727 -3.135 -3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.484 -3.092 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.976 -4.562 -1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.305 -4.395 -0.559 1.00 0.00 H new ATOM 730 N LYS A 45 -14.007 -5.921 -3.204 1.00 0.00 N ATOM 731 CA LYS A 45 -15.106 -6.755 -3.650 1.00 0.00 C ATOM 732 C LYS A 45 -15.825 -7.286 -2.420 1.00 0.00 C ATOM 733 O LYS A 45 -15.186 -7.809 -1.510 1.00 0.00 O ATOM 734 CB LYS A 45 -14.563 -7.933 -4.470 1.00 0.00 C ATOM 735 CG LYS A 45 -13.882 -7.543 -5.777 1.00 0.00 C ATOM 736 CD LYS A 45 -13.135 -8.717 -6.402 1.00 0.00 C ATOM 737 CE LYS A 45 -12.036 -9.245 -5.488 1.00 0.00 C ATOM 738 NZ LYS A 45 -11.021 -8.206 -5.160 1.00 0.00 N ATOM 0 H LYS A 45 -13.661 -6.167 -2.277 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.789 -6.176 -4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.852 -8.487 -3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.386 -8.611 -4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.629 -7.173 -6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.185 -6.726 -5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.839 -9.519 -6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.699 -8.405 -7.351 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.482 -9.617 -4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.544 -10.091 -5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.088 -8.511 -5.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.282 -7.309 -5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.982 -8.071 -4.129 1.00 0.00 H new ATOM 752 N THR A 46 -17.132 -7.129 -2.361 1.00 0.00 N ATOM 753 CA THR A 46 -17.878 -7.635 -1.224 1.00 0.00 C ATOM 754 C THR A 46 -19.355 -7.816 -1.548 1.00 0.00 C ATOM 755 O THR A 46 -19.948 -7.034 -2.299 1.00 0.00 O ATOM 756 CB THR A 46 -17.724 -6.715 0.017 1.00 0.00 C ATOM 757 OG1 THR A 46 -18.403 -7.274 1.149 1.00 0.00 O ATOM 758 CG2 THR A 46 -18.269 -5.322 -0.249 1.00 0.00 C ATOM 0 H THR A 46 -17.693 -6.663 -3.074 1.00 0.00 H new ATOM 0 HA THR A 46 -17.455 -8.612 -0.990 1.00 0.00 H new ATOM 0 HB THR A 46 -16.657 -6.640 0.229 1.00 0.00 H new ATOM 0 HG1 THR A 46 -17.926 -7.030 1.970 1.00 0.00 H new ATOM 0 HG21 THR A 46 -18.144 -4.706 0.642 1.00 0.00 H new ATOM 0 HG22 THR A 46 -17.727 -4.872 -1.080 1.00 0.00 H new ATOM 0 HG23 THR A 46 -19.328 -5.387 -0.499 1.00 0.00 H new ATOM 766 N TYR A 47 -19.915 -8.883 -1.002 1.00 0.00 N ATOM 767 CA TYR A 47 -21.344 -9.121 -1.025 1.00 0.00 C ATOM 768 C TYR A 47 -21.682 -10.069 0.119 1.00 0.00 C ATOM 769 O TYR A 47 -22.052 -11.225 -0.088 1.00 0.00 O ATOM 770 CB TYR A 47 -21.790 -9.701 -2.373 1.00 0.00 C ATOM 771 CG TYR A 47 -23.291 -9.693 -2.567 1.00 0.00 C ATOM 772 CD1 TYR A 47 -24.015 -10.879 -2.620 1.00 0.00 C ATOM 773 CD2 TYR A 47 -23.983 -8.496 -2.686 1.00 0.00 C ATOM 774 CE1 TYR A 47 -25.386 -10.868 -2.787 1.00 0.00 C ATOM 775 CE2 TYR A 47 -25.353 -8.479 -2.855 1.00 0.00 C ATOM 776 CZ TYR A 47 -26.050 -9.666 -2.905 1.00 0.00 C ATOM 777 OH TYR A 47 -27.417 -9.650 -3.068 1.00 0.00 O ATOM 0 H TYR A 47 -19.384 -9.613 -0.527 1.00 0.00 H new ATOM 0 HA TYR A 47 -21.878 -8.179 -0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -21.325 -9.130 -3.177 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -21.426 -10.725 -2.457 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -23.498 -11.823 -2.529 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -23.441 -7.563 -2.646 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -25.935 -11.797 -2.825 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -25.876 -7.539 -2.948 1.00 0.00 H new ATOM 0 HH TYR A 47 -27.728 -8.723 -3.134 1.00 0.00 H new ATOM 787 N SER A 48 -21.527 -9.559 1.328 1.00 0.00 N ATOM 788 CA SER A 48 -21.727 -10.335 2.536 1.00 0.00 C ATOM 789 C SER A 48 -21.863 -9.380 3.716 1.00 0.00 C ATOM 790 O SER A 48 -21.850 -8.161 3.531 1.00 0.00 O ATOM 791 CB SER A 48 -20.556 -11.308 2.749 1.00 0.00 C ATOM 792 OG SER A 48 -20.780 -12.174 3.852 1.00 0.00 O ATOM 0 H SER A 48 -21.258 -8.590 1.499 1.00 0.00 H new ATOM 0 HA SER A 48 -22.637 -10.929 2.447 1.00 0.00 H new ATOM 0 HB2 SER A 48 -20.408 -11.901 1.846 1.00 0.00 H new ATOM 0 HB3 SER A 48 -19.639 -10.742 2.912 1.00 0.00 H new ATOM 0 HG SER A 48 -20.015 -12.778 3.954 1.00 0.00 H new ATOM 798 N ASN A 49 -21.992 -9.922 4.914 1.00 0.00 N ATOM 799 CA ASN A 49 -22.240 -9.112 6.098 1.00 0.00 C ATOM 800 C ASN A 49 -21.091 -8.139 6.379 1.00 0.00 C ATOM 801 O ASN A 49 -21.318 -6.933 6.486 1.00 0.00 O ATOM 802 CB ASN A 49 -22.528 -10.005 7.317 1.00 0.00 C ATOM 803 CG ASN A 49 -21.393 -10.953 7.653 1.00 0.00 C ATOM 804 OD1 ASN A 49 -21.273 -12.024 7.062 1.00 0.00 O ATOM 805 ND2 ASN A 49 -20.571 -10.581 8.621 1.00 0.00 N ATOM 0 H ASN A 49 -21.929 -10.924 5.095 1.00 0.00 H new ATOM 0 HA ASN A 49 -23.125 -8.507 5.902 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -22.731 -9.372 8.181 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -23.431 -10.585 7.128 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -19.804 -11.192 8.901 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -20.705 -9.684 9.087 1.00 0.00 H new ATOM 812 N SER A 50 -19.862 -8.644 6.478 1.00 0.00 N ATOM 813 CA SER A 50 -18.735 -7.795 6.851 1.00 0.00 C ATOM 814 C SER A 50 -17.543 -7.980 5.925 1.00 0.00 C ATOM 815 O SER A 50 -16.450 -7.474 6.184 1.00 0.00 O ATOM 816 CB SER A 50 -18.338 -8.043 8.310 1.00 0.00 C ATOM 817 OG SER A 50 -17.495 -7.014 8.803 1.00 0.00 O ATOM 0 H SER A 50 -19.625 -9.621 6.308 1.00 0.00 H new ATOM 0 HA SER A 50 -19.059 -6.760 6.746 1.00 0.00 H new ATOM 0 HB2 SER A 50 -19.235 -8.106 8.926 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.827 -9.003 8.391 1.00 0.00 H new ATOM 0 HG SER A 50 -16.811 -6.803 8.134 1.00 0.00 H new ATOM 823 N ALA A 51 -17.769 -8.696 4.851 1.00 0.00 N ATOM 824 CA ALA A 51 -16.696 -9.051 3.921 1.00 0.00 C ATOM 825 C ALA A 51 -16.011 -7.837 3.360 1.00 0.00 C ATOM 826 O ALA A 51 -16.620 -6.776 3.222 1.00 0.00 O ATOM 827 CB ALA A 51 -17.208 -9.806 2.723 1.00 0.00 C ATOM 0 H ALA A 51 -18.688 -9.052 4.588 1.00 0.00 H new ATOM 0 HA ALA A 51 -16.012 -9.660 4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.376 -10.047 2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.689 -10.727 3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.931 -9.191 2.187 1.00 0.00 H new ATOM 833 N THR A 52 -14.747 -7.996 3.009 1.00 0.00 N ATOM 834 CA THR A 52 -14.134 -7.089 2.124 1.00 0.00 C ATOM 835 C THR A 52 -12.935 -7.723 1.421 1.00 0.00 C ATOM 836 O THR A 52 -11.829 -7.746 1.961 1.00 0.00 O ATOM 837 CB THR A 52 -13.701 -5.786 2.803 1.00 0.00 C ATOM 838 OG1 THR A 52 -14.193 -5.765 4.129 1.00 0.00 O ATOM 839 CG2 THR A 52 -14.232 -4.579 2.048 1.00 0.00 C ATOM 0 H THR A 52 -14.146 -8.752 3.336 1.00 0.00 H new ATOM 0 HA THR A 52 -14.896 -6.837 1.386 1.00 0.00 H new ATOM 0 HB THR A 52 -12.612 -5.740 2.806 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.505 -4.862 4.348 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.911 -3.666 2.550 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.845 -4.588 1.029 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.321 -4.616 2.023 1.00 0.00 H new ATOM 847 N LYS A 53 -13.160 -8.242 0.224 1.00 0.00 N ATOM 848 CA LYS A 53 -12.101 -8.865 -0.551 1.00 0.00 C ATOM 849 C LYS A 53 -11.374 -7.803 -1.353 1.00 0.00 C ATOM 850 O LYS A 53 -11.952 -7.172 -2.229 1.00 0.00 O ATOM 851 CB LYS A 53 -12.697 -9.925 -1.477 1.00 0.00 C ATOM 852 CG LYS A 53 -13.682 -10.860 -0.787 1.00 0.00 C ATOM 853 CD LYS A 53 -14.323 -11.814 -1.781 1.00 0.00 C ATOM 854 CE LYS A 53 -15.522 -12.540 -1.187 1.00 0.00 C ATOM 855 NZ LYS A 53 -15.148 -13.448 -0.070 1.00 0.00 N ATOM 0 H LYS A 53 -14.072 -8.243 -0.233 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.390 -9.350 0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.202 -9.428 -2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.888 -10.517 -1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.166 -11.429 -0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.456 -10.275 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.637 -11.259 -2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.584 -12.545 -2.110 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -16.244 -11.807 -0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.016 -13.117 -1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.001 -13.916 0.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.480 -14.166 -0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.701 -12.897 0.690 1.00 0.00 H new ATOM 869 N ILE A 54 -10.107 -7.610 -1.057 1.00 0.00 N ATOM 870 CA ILE A 54 -9.387 -6.458 -1.559 1.00 0.00 C ATOM 871 C ILE A 54 -8.188 -6.807 -2.403 1.00 0.00 C ATOM 872 O ILE A 54 -7.675 -7.929 -2.380 1.00 0.00 O ATOM 873 CB ILE A 54 -8.913 -5.564 -0.407 1.00 0.00 C ATOM 874 CG1 ILE A 54 -8.433 -6.384 0.795 1.00 0.00 C ATOM 875 CG2 ILE A 54 -10.038 -4.661 -0.038 1.00 0.00 C ATOM 876 CD1 ILE A 54 -7.083 -7.037 0.588 1.00 0.00 C ATOM 0 H ILE A 54 -9.553 -8.235 -0.471 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.103 -5.935 -2.193 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.052 -4.978 -0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.382 -5.735 1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.170 -7.156 1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.730 -4.011 0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.314 -4.053 -0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.895 -5.257 0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.810 -7.600 1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.133 -7.713 -0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.333 -6.269 0.400 1.00 0.00 H new ATOM 888 N GLU A 55 -7.777 -5.814 -3.162 1.00 0.00 N ATOM 889 CA GLU A 55 -6.566 -5.859 -3.913 1.00 0.00 C ATOM 890 C GLU A 55 -5.966 -4.466 -3.957 1.00 0.00 C ATOM 891 O GLU A 55 -6.444 -3.607 -4.654 1.00 0.00 O ATOM 892 CB GLU A 55 -6.868 -6.296 -5.323 1.00 0.00 C ATOM 893 CG GLU A 55 -7.161 -7.776 -5.495 1.00 0.00 C ATOM 894 CD GLU A 55 -7.782 -8.087 -6.842 1.00 0.00 C ATOM 895 OE1 GLU A 55 -7.042 -8.148 -7.848 1.00 0.00 O ATOM 896 OE2 GLU A 55 -9.017 -8.271 -6.899 1.00 0.00 O ATOM 0 H GLU A 55 -8.294 -4.941 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.872 -6.559 -3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.725 -5.728 -5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.020 -6.034 -5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.236 -8.342 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.833 -8.105 -4.703 1.00 0.00 H new ATOM 903 N VAL A 56 -4.897 -4.258 -3.268 1.00 0.00 N ATOM 904 CA VAL A 56 -4.291 -2.936 -3.204 1.00 0.00 C ATOM 905 C VAL A 56 -3.121 -2.932 -4.137 1.00 0.00 C ATOM 906 O VAL A 56 -2.441 -3.935 -4.305 1.00 0.00 O ATOM 907 CB VAL A 56 -3.742 -2.598 -1.771 1.00 0.00 C ATOM 908 CG1 VAL A 56 -3.563 -3.853 -1.035 1.00 0.00 C ATOM 909 CG2 VAL A 56 -2.393 -1.833 -1.815 1.00 0.00 C ATOM 0 H VAL A 56 -4.410 -4.977 -2.733 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.052 -2.201 -3.464 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.465 -1.948 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.182 -3.638 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.521 -4.368 -0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.853 -4.488 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.059 -1.625 -0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.646 -2.442 -2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.524 -0.894 -2.353 1.00 0.00 H new ATOM 919 N THR A 57 -2.937 -1.830 -4.772 1.00 0.00 N ATOM 920 CA THR A 57 -1.717 -1.564 -5.486 1.00 0.00 C ATOM 921 C THR A 57 -1.449 -0.075 -5.424 1.00 0.00 C ATOM 922 O THR A 57 -1.998 0.711 -6.180 1.00 0.00 O ATOM 923 CB THR A 57 -1.785 -2.020 -6.953 1.00 0.00 C ATOM 924 OG1 THR A 57 -2.442 -3.292 -7.036 1.00 0.00 O ATOM 925 CG2 THR A 57 -0.392 -2.125 -7.559 1.00 0.00 C ATOM 0 H THR A 57 -3.624 -1.078 -4.818 1.00 0.00 H new ATOM 0 HA THR A 57 -0.912 -2.129 -5.017 1.00 0.00 H new ATOM 0 HB THR A 57 -2.350 -1.276 -7.515 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.484 -3.578 -7.972 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.470 -2.449 -8.597 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.097 -1.151 -7.519 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.196 -2.850 -6.996 1.00 0.00 H new ATOM 933 N ILE A 58 -0.599 0.278 -4.513 1.00 0.00 N ATOM 934 CA ILE A 58 -0.360 1.648 -4.124 1.00 0.00 C ATOM 935 C ILE A 58 1.051 2.076 -4.591 1.00 0.00 C ATOM 936 O ILE A 58 2.054 1.790 -3.927 1.00 0.00 O ATOM 937 CB ILE A 58 -0.465 1.702 -2.582 1.00 0.00 C ATOM 938 CG1 ILE A 58 -1.930 1.719 -2.137 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.281 2.894 -1.983 1.00 0.00 C ATOM 940 CD1 ILE A 58 -2.116 1.583 -0.640 1.00 0.00 C ATOM 0 H ILE A 58 -0.030 -0.394 -3.998 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.083 2.326 -4.577 1.00 0.00 H new ATOM 0 HB ILE A 58 0.014 0.798 -2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.390 2.650 -2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.461 0.907 -2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.174 2.883 -0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.337 2.831 -2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.136 3.820 -2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.180 1.604 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.687 0.639 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.615 2.409 -0.135 1.00 0.00 H new ATOM 952 N PRO A 59 1.158 2.654 -5.796 1.00 0.00 N ATOM 953 CA PRO A 59 2.399 3.255 -6.298 1.00 0.00 C ATOM 954 C PRO A 59 2.772 4.540 -5.568 1.00 0.00 C ATOM 955 O PRO A 59 2.174 5.591 -5.789 1.00 0.00 O ATOM 956 CB PRO A 59 2.087 3.561 -7.773 1.00 0.00 C ATOM 957 CG PRO A 59 0.878 2.755 -8.081 1.00 0.00 C ATOM 958 CD PRO A 59 0.107 2.706 -6.800 1.00 0.00 C ATOM 0 HA PRO A 59 3.248 2.587 -6.152 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.903 4.624 -7.926 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.921 3.286 -8.419 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.291 3.213 -8.877 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.147 1.754 -8.418 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.528 3.583 -6.676 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.543 1.832 -6.752 1.00 0.00 H new ATOM 966 N LEU A 60 3.754 4.439 -4.693 1.00 0.00 N ATOM 967 CA LEU A 60 4.347 5.576 -4.043 1.00 0.00 C ATOM 968 C LEU A 60 5.484 6.084 -4.923 1.00 0.00 C ATOM 969 O LEU A 60 5.678 5.565 -6.025 1.00 0.00 O ATOM 970 CB LEU A 60 4.878 5.133 -2.688 1.00 0.00 C ATOM 971 CG LEU A 60 3.832 4.562 -1.729 1.00 0.00 C ATOM 972 CD1 LEU A 60 4.504 3.969 -0.506 1.00 0.00 C ATOM 973 CD2 LEU A 60 2.837 5.636 -1.319 1.00 0.00 C ATOM 0 H LEU A 60 4.164 3.547 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 60 3.620 6.374 -3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.650 4.380 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.359 5.986 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 60 3.289 3.771 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.746 3.567 0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.178 3.169 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.072 4.744 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.102 5.209 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.364 6.450 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.331 6.020 -2.205 1.00 0.00 H new ATOM 985 N LYS A 61 6.226 7.093 -4.465 1.00 0.00 N ATOM 986 CA LYS A 61 7.316 7.643 -5.233 1.00 0.00 C ATOM 987 C LYS A 61 8.272 6.545 -5.598 1.00 0.00 C ATOM 988 O LYS A 61 8.526 6.245 -6.766 1.00 0.00 O ATOM 989 CB LYS A 61 8.126 8.577 -4.372 1.00 0.00 C ATOM 990 CG LYS A 61 7.320 9.432 -3.407 1.00 0.00 C ATOM 991 CD LYS A 61 7.511 8.977 -1.962 1.00 0.00 C ATOM 992 CE LYS A 61 8.553 9.817 -1.224 1.00 0.00 C ATOM 993 NZ LYS A 61 9.901 9.762 -1.854 1.00 0.00 N ATOM 0 H LYS A 61 6.082 7.540 -3.560 1.00 0.00 H new ATOM 0 HA LYS A 61 6.892 8.142 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.842 7.988 -3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.702 9.236 -5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.622 10.475 -3.504 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.263 9.380 -3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.559 9.038 -1.435 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.816 7.931 -1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.217 10.853 -1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.626 9.471 -0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.595 10.222 -1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.174 8.770 -2.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.877 10.256 -2.769 1.00 0.00 H new ATOM 1007 N ASN A 62 8.788 5.946 -4.541 1.00 0.00 N ATOM 1008 CA ASN A 62 9.918 5.085 -4.650 1.00 0.00 C ATOM 1009 C ASN A 62 9.495 3.653 -4.966 1.00 0.00 C ATOM 1010 O ASN A 62 10.064 2.995 -5.835 1.00 0.00 O ATOM 1011 CB ASN A 62 10.728 5.125 -3.380 1.00 0.00 C ATOM 1012 CG ASN A 62 12.092 4.463 -3.504 1.00 0.00 C ATOM 1013 OD1 ASN A 62 12.624 3.939 -2.526 1.00 0.00 O ATOM 1014 ND2 ASN A 62 12.676 4.494 -4.694 1.00 0.00 N ATOM 0 H ASN A 62 8.427 6.051 -3.593 1.00 0.00 H new ATOM 0 HA ASN A 62 10.535 5.441 -5.475 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.864 6.164 -3.079 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.166 4.634 -2.586 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.597 4.074 -4.821 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.204 4.937 -5.482 1.00 0.00 H new ATOM 1021 N VAL A 63 8.469 3.190 -4.258 1.00 0.00 N ATOM 1022 CA VAL A 63 8.024 1.810 -4.353 1.00 0.00 C ATOM 1023 C VAL A 63 6.509 1.724 -4.568 1.00 0.00 C ATOM 1024 O VAL A 63 5.757 2.603 -4.158 1.00 0.00 O ATOM 1025 CB VAL A 63 8.419 1.034 -3.074 1.00 0.00 C ATOM 1026 CG1 VAL A 63 7.756 1.633 -1.843 1.00 0.00 C ATOM 1027 CG2 VAL A 63 8.091 -0.449 -3.191 1.00 0.00 C ATOM 0 H VAL A 63 7.928 3.759 -3.607 1.00 0.00 H new ATOM 0 HA VAL A 63 8.514 1.360 -5.216 1.00 0.00 H new ATOM 0 HB VAL A 63 9.499 1.127 -2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.051 1.068 -0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.068 2.671 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.673 1.590 -1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.383 -0.960 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.020 -0.573 -3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.635 -0.877 -4.033 1.00 0.00 H new ATOM 1037 N THR A 64 6.090 0.658 -5.223 1.00 0.00 N ATOM 1038 CA THR A 64 4.683 0.386 -5.460 1.00 0.00 C ATOM 1039 C THR A 64 4.290 -0.920 -4.778 1.00 0.00 C ATOM 1040 O THR A 64 4.895 -1.960 -5.045 1.00 0.00 O ATOM 1041 CB THR A 64 4.403 0.269 -6.973 1.00 0.00 C ATOM 1042 OG1 THR A 64 4.762 1.491 -7.637 1.00 0.00 O ATOM 1043 CG2 THR A 64 2.940 -0.056 -7.239 1.00 0.00 C ATOM 0 H THR A 64 6.718 -0.048 -5.608 1.00 0.00 H new ATOM 0 HA THR A 64 4.098 1.210 -5.051 1.00 0.00 H new ATOM 0 HB THR A 64 5.009 -0.547 -7.366 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.582 1.407 -8.597 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.774 -0.132 -8.314 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.686 -1.004 -6.764 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.311 0.735 -6.830 1.00 0.00 H new ATOM 1051 N LEU A 65 3.304 -0.883 -3.888 1.00 0.00 N ATOM 1052 CA LEU A 65 2.874 -2.109 -3.224 1.00 0.00 C ATOM 1053 C LEU A 65 1.601 -2.653 -3.781 1.00 0.00 C ATOM 1054 O LEU A 65 0.751 -1.929 -4.261 1.00 0.00 O ATOM 1055 CB LEU A 65 2.677 -1.961 -1.723 1.00 0.00 C ATOM 1056 CG LEU A 65 3.973 -2.052 -0.881 1.00 0.00 C ATOM 1057 CD1 LEU A 65 4.712 -0.718 -0.737 1.00 0.00 C ATOM 1058 CD2 LEU A 65 3.657 -2.649 0.474 1.00 0.00 C ATOM 0 H LEU A 65 2.798 -0.041 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 65 3.699 -2.796 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.201 -1.000 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.987 -2.734 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 65 4.659 -2.704 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.609 -0.862 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.993 -0.349 -1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.061 0.008 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.570 -2.712 1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.934 -2.018 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.239 -3.647 0.343 1.00 0.00 H new ATOM 1070 N ARG A 66 1.503 -3.951 -3.695 1.00 0.00 N ATOM 1071 CA ARG A 66 0.317 -4.663 -4.013 1.00 0.00 C ATOM 1072 C ARG A 66 -0.020 -5.637 -2.906 1.00 0.00 C ATOM 1073 O ARG A 66 0.861 -6.314 -2.369 1.00 0.00 O ATOM 1074 CB ARG A 66 0.589 -5.409 -5.281 1.00 0.00 C ATOM 1075 CG ARG A 66 -0.350 -6.567 -5.605 1.00 0.00 C ATOM 1076 CD ARG A 66 -1.615 -6.104 -6.294 1.00 0.00 C ATOM 1077 NE ARG A 66 -2.473 -7.225 -6.667 1.00 0.00 N ATOM 1078 CZ ARG A 66 -3.663 -7.089 -7.243 1.00 0.00 C ATOM 1079 NH1 ARG A 66 -4.112 -5.881 -7.576 1.00 0.00 N ATOM 1080 NH2 ARG A 66 -4.389 -8.166 -7.512 1.00 0.00 N ATOM 0 H ARG A 66 2.272 -4.550 -3.393 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.527 -3.982 -4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.554 -4.700 -6.108 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.607 -5.797 -5.237 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.167 -7.284 -6.243 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.610 -7.089 -4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.163 -5.432 -5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.355 -5.533 -7.186 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.139 -8.169 -6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.542 -5.056 -7.389 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.026 -5.781 -8.018 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.033 -9.093 -7.277 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.303 -8.068 -7.954 1.00 0.00 H new ATOM 1094 N ALA A 67 -1.280 -5.697 -2.564 1.00 0.00 N ATOM 1095 CA ALA A 67 -1.749 -6.723 -1.625 1.00 0.00 C ATOM 1096 C ALA A 67 -3.139 -7.217 -2.009 1.00 0.00 C ATOM 1097 O ALA A 67 -4.083 -6.449 -2.103 1.00 0.00 O ATOM 1098 CB ALA A 67 -1.714 -6.211 -0.187 1.00 0.00 C ATOM 0 H ALA A 67 -2.003 -5.065 -2.907 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.068 -7.572 -1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.067 -6.992 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.692 -5.938 0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.358 -5.336 -0.096 1.00 0.00 H new ATOM 1104 N GLU A 68 -3.261 -8.506 -2.240 1.00 0.00 N ATOM 1105 CA GLU A 68 -4.510 -9.074 -2.710 1.00 0.00 C ATOM 1106 C GLU A 68 -4.993 -10.173 -1.773 1.00 0.00 C ATOM 1107 O GLU A 68 -4.375 -11.235 -1.668 1.00 0.00 O ATOM 1108 CB GLU A 68 -4.314 -9.611 -4.127 1.00 0.00 C ATOM 1109 CG GLU A 68 -3.018 -10.381 -4.298 1.00 0.00 C ATOM 1110 CD GLU A 68 -2.775 -10.803 -5.725 1.00 0.00 C ATOM 1111 OE1 GLU A 68 -3.264 -11.880 -6.122 1.00 0.00 O ATOM 1112 OE2 GLU A 68 -2.097 -10.052 -6.458 1.00 0.00 O ATOM 0 H GLU A 68 -2.510 -9.184 -2.110 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.275 -8.298 -2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.152 -10.260 -4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.330 -8.778 -4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.186 -9.763 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.039 -11.265 -3.661 1.00 0.00 H new ATOM 1119 N GLU A 69 -6.103 -9.923 -1.096 1.00 0.00 N ATOM 1120 CA GLU A 69 -6.630 -10.882 -0.138 1.00 0.00 C ATOM 1121 C GLU A 69 -8.153 -10.818 -0.078 1.00 0.00 C ATOM 1122 O GLU A 69 -8.740 -9.744 0.045 1.00 0.00 O ATOM 1123 CB GLU A 69 -6.034 -10.634 1.250 1.00 0.00 C ATOM 1124 CG GLU A 69 -6.498 -11.637 2.293 1.00 0.00 C ATOM 1125 CD GLU A 69 -5.878 -11.400 3.653 1.00 0.00 C ATOM 1126 OE1 GLU A 69 -6.300 -10.457 4.352 1.00 0.00 O ATOM 1127 OE2 GLU A 69 -4.970 -12.168 4.032 1.00 0.00 O ATOM 0 H GLU A 69 -6.653 -9.070 -1.191 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.345 -11.880 -0.470 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.947 -10.668 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.301 -9.630 1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.583 -11.587 2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.251 -12.644 1.957 1.00 0.00 H new ATOM 1134 N ARG A 70 -8.785 -11.975 -0.173 1.00 0.00 N ATOM 1135 CA ARG A 70 -10.233 -12.070 -0.082 1.00 0.00 C ATOM 1136 C ARG A 70 -10.639 -12.353 1.358 1.00 0.00 C ATOM 1137 O ARG A 70 -11.174 -13.415 1.675 1.00 0.00 O ATOM 1138 CB ARG A 70 -10.752 -13.170 -1.010 1.00 0.00 C ATOM 1139 CG ARG A 70 -10.391 -12.961 -2.472 1.00 0.00 C ATOM 1140 CD ARG A 70 -10.862 -14.123 -3.329 1.00 0.00 C ATOM 1141 NE ARG A 70 -10.594 -13.908 -4.749 1.00 0.00 N ATOM 1142 CZ ARG A 70 -10.957 -14.760 -5.708 1.00 0.00 C ATOM 1143 NH1 ARG A 70 -11.551 -15.905 -5.393 1.00 0.00 N ATOM 1144 NH2 ARG A 70 -10.720 -14.472 -6.979 1.00 0.00 N ATOM 0 H ARG A 70 -8.314 -12.869 -0.314 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.673 -11.123 -0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.352 -14.129 -0.680 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.837 -13.228 -0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.841 -12.036 -2.831 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.311 -12.849 -2.570 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.366 -15.037 -3.002 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.932 -14.270 -3.182 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.101 -13.058 -5.022 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.731 -16.134 -4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.828 -16.555 -6.129 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.259 -13.596 -7.226 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.999 -15.126 -7.711 1.00 0.00 H new ATOM 1158 N ASN A 71 -10.366 -11.395 2.224 1.00 0.00 N ATOM 1159 CA ASN A 71 -10.621 -11.545 3.648 1.00 0.00 C ATOM 1160 C ASN A 71 -11.977 -10.936 3.992 1.00 0.00 C ATOM 1161 O ASN A 71 -12.635 -10.342 3.136 1.00 0.00 O ATOM 1162 CB ASN A 71 -9.495 -10.849 4.426 1.00 0.00 C ATOM 1163 CG ASN A 71 -9.312 -11.319 5.815 1.00 0.00 C ATOM 1164 OD1 ASN A 71 -10.199 -11.874 6.460 1.00 0.00 O ATOM 1165 ND2 ASN A 71 -8.139 -11.051 6.286 1.00 0.00 N ATOM 0 H ASN A 71 -9.963 -10.495 1.964 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.643 -12.600 3.921 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.559 -10.989 3.885 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.695 -9.778 4.444 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.905 -11.303 7.246 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.447 -10.588 5.697 1.00 0.00 H new ATOM 1172 N ASP A 72 -12.409 -11.101 5.229 1.00 0.00 N ATOM 1173 CA ASP A 72 -13.658 -10.511 5.683 1.00 0.00 C ATOM 1174 C ASP A 72 -13.374 -9.238 6.460 1.00 0.00 C ATOM 1175 O ASP A 72 -14.163 -8.807 7.299 1.00 0.00 O ATOM 1176 CB ASP A 72 -14.460 -11.496 6.537 1.00 0.00 C ATOM 1177 CG ASP A 72 -15.003 -12.648 5.720 1.00 0.00 C ATOM 1178 OD1 ASP A 72 -14.484 -13.776 5.853 1.00 0.00 O ATOM 1179 OD2 ASP A 72 -15.939 -12.425 4.924 1.00 0.00 O ATOM 0 H ASP A 72 -11.913 -11.640 5.939 1.00 0.00 H new ATOM 0 HA ASP A 72 -14.261 -10.268 4.808 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.825 -11.885 7.333 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.286 -10.971 7.016 1.00 0.00 H new ATOM 1184 N ASP A 73 -12.226 -8.655 6.168 1.00 0.00 N ATOM 1185 CA ASP A 73 -11.795 -7.410 6.779 1.00 0.00 C ATOM 1186 C ASP A 73 -10.860 -6.705 5.866 1.00 0.00 C ATOM 1187 O ASP A 73 -9.692 -7.050 5.702 1.00 0.00 O ATOM 1188 CB ASP A 73 -11.149 -7.654 8.143 1.00 0.00 C ATOM 1189 CG ASP A 73 -10.733 -6.369 8.835 1.00 0.00 C ATOM 1190 OD1 ASP A 73 -11.394 -5.329 8.621 1.00 0.00 O ATOM 1191 OD2 ASP A 73 -9.760 -6.399 9.621 1.00 0.00 O ATOM 0 H ASP A 73 -11.561 -9.035 5.495 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.670 -6.782 6.945 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.849 -8.194 8.780 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.275 -8.293 8.017 1.00 0.00 H new ATOM 1196 N LEU A 74 -11.463 -5.755 5.226 1.00 0.00 N ATOM 1197 CA LEU A 74 -10.803 -4.717 4.504 1.00 0.00 C ATOM 1198 C LEU A 74 -9.551 -4.268 5.189 1.00 0.00 C ATOM 1199 O LEU A 74 -8.481 -4.174 4.587 1.00 0.00 O ATOM 1200 CB LEU A 74 -11.766 -3.561 4.517 1.00 0.00 C ATOM 1201 CG LEU A 74 -11.211 -2.175 4.157 1.00 0.00 C ATOM 1202 CD1 LEU A 74 -10.373 -2.222 2.892 1.00 0.00 C ATOM 1203 CD2 LEU A 74 -12.347 -1.177 4.002 1.00 0.00 C ATOM 0 H LEU A 74 -12.480 -5.679 5.192 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.531 -5.066 3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.576 -3.790 3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.205 -3.500 5.513 1.00 0.00 H new ATOM 0 HG LEU A 74 -10.563 -1.853 4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.997 -1.224 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.534 -2.902 3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -10.986 -2.574 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.940 -0.199 3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.017 -1.509 3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.900 -1.107 4.939 1.00 0.00 H new ATOM 1215 N TYR A 75 -9.707 -3.980 6.466 1.00 0.00 N ATOM 1216 CA TYR A 75 -8.676 -3.317 7.181 1.00 0.00 C ATOM 1217 C TYR A 75 -7.520 -4.271 7.369 1.00 0.00 C ATOM 1218 O TYR A 75 -6.394 -3.862 7.597 1.00 0.00 O ATOM 1219 CB TYR A 75 -9.161 -2.784 8.522 1.00 0.00 C ATOM 1220 CG TYR A 75 -8.945 -1.381 8.665 1.00 0.00 C ATOM 1221 CD1 TYR A 75 -9.899 -0.639 9.256 1.00 0.00 C ATOM 1222 CD2 TYR A 75 -7.806 -0.801 8.217 1.00 0.00 C ATOM 1223 CE1 TYR A 75 -9.743 0.675 9.412 1.00 0.00 C ATOM 1224 CE2 TYR A 75 -7.621 0.521 8.362 1.00 0.00 C ATOM 1225 CZ TYR A 75 -8.595 1.284 8.966 1.00 0.00 C ATOM 1226 OH TYR A 75 -8.421 2.639 9.114 1.00 0.00 O ATOM 0 H TYR A 75 -10.539 -4.200 7.013 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.353 -2.452 6.602 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -10.224 -2.997 8.630 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.647 -3.311 9.326 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.802 -1.114 9.608 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.045 -1.403 7.742 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -10.517 1.260 9.888 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.712 0.984 8.006 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.546 2.814 9.519 1.00 0.00 H new ATOM 1236 N ALA A 76 -7.826 -5.552 7.217 1.00 0.00 N ATOM 1237 CA ALA A 76 -6.852 -6.606 7.348 1.00 0.00 C ATOM 1238 C ALA A 76 -6.105 -6.729 6.051 1.00 0.00 C ATOM 1239 O ALA A 76 -4.920 -7.044 6.024 1.00 0.00 O ATOM 1240 CB ALA A 76 -7.542 -7.913 7.665 1.00 0.00 C ATOM 0 H ALA A 76 -8.766 -5.883 6.998 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.161 -6.372 8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.798 -8.703 7.762 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.093 -7.816 8.601 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.234 -8.163 6.861 1.00 0.00 H new ATOM 1246 N GLY A 77 -6.817 -6.469 4.966 1.00 0.00 N ATOM 1247 CA GLY A 77 -6.201 -6.485 3.677 1.00 0.00 C ATOM 1248 C GLY A 77 -5.299 -5.285 3.488 1.00 0.00 C ATOM 1249 O GLY A 77 -4.138 -5.406 3.102 1.00 0.00 O ATOM 0 H GLY A 77 -7.813 -6.248 4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.622 -7.401 3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.969 -6.492 2.904 1.00 0.00 H new ATOM 1253 N ILE A 78 -5.855 -4.120 3.769 1.00 0.00 N ATOM 1254 CA ILE A 78 -5.122 -2.899 3.716 1.00 0.00 C ATOM 1255 C ILE A 78 -4.041 -2.859 4.838 1.00 0.00 C ATOM 1256 O ILE A 78 -3.085 -2.114 4.734 1.00 0.00 O ATOM 1257 CB ILE A 78 -6.084 -1.682 3.826 1.00 0.00 C ATOM 1258 CG1 ILE A 78 -6.015 -0.833 2.554 1.00 0.00 C ATOM 1259 CG2 ILE A 78 -5.791 -0.826 5.053 1.00 0.00 C ATOM 1260 CD1 ILE A 78 -6.489 -1.555 1.310 1.00 0.00 C ATOM 0 H ILE A 78 -6.832 -4.010 4.040 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.612 -2.843 2.754 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.094 -2.076 3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.618 0.064 2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.987 -0.505 2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.488 0.011 5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.905 -1.430 5.953 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.771 -0.447 4.997 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.410 -0.889 0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.871 -2.437 1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.528 -1.859 1.439 1.00 0.00 H new ATOM 1272 N ASP A 79 -4.214 -3.631 5.930 1.00 0.00 N ATOM 1273 CA ASP A 79 -3.137 -3.828 6.946 1.00 0.00 C ATOM 1274 C ASP A 79 -2.113 -4.774 6.428 1.00 0.00 C ATOM 1275 O ASP A 79 -0.938 -4.551 6.630 1.00 0.00 O ATOM 1276 CB ASP A 79 -3.693 -4.353 8.268 1.00 0.00 C ATOM 1277 CG ASP A 79 -2.637 -4.435 9.350 1.00 0.00 C ATOM 1278 OD1 ASP A 79 -2.270 -3.376 9.905 1.00 0.00 O ATOM 1279 OD2 ASP A 79 -2.182 -5.555 9.659 1.00 0.00 O ATOM 0 H ASP A 79 -5.080 -4.129 6.138 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.682 -2.855 7.133 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.501 -3.703 8.602 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.124 -5.342 8.110 1.00 0.00 H new ATOM 1284 N LEU A 80 -2.534 -5.811 5.740 1.00 0.00 N ATOM 1285 CA LEU A 80 -1.580 -6.659 5.070 1.00 0.00 C ATOM 1286 C LEU A 80 -0.703 -5.767 4.222 1.00 0.00 C ATOM 1287 O LEU A 80 0.513 -5.884 4.238 1.00 0.00 O ATOM 1288 CB LEU A 80 -2.284 -7.713 4.208 1.00 0.00 C ATOM 1289 CG LEU A 80 -1.502 -9.013 3.955 1.00 0.00 C ATOM 1290 CD1 LEU A 80 -2.401 -10.046 3.297 1.00 0.00 C ATOM 1291 CD2 LEU A 80 -0.278 -8.765 3.084 1.00 0.00 C ATOM 0 H LEU A 80 -3.511 -6.083 5.632 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.981 -7.203 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.230 -7.969 4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.523 -7.264 3.244 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.162 -9.390 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.836 -10.962 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.247 -10.260 3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.765 -9.658 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.252 -9.704 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.592 -8.358 2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.384 -8.055 3.580 1.00 0.00 H new ATOM 1303 N ILE A 81 -1.327 -4.818 3.545 1.00 0.00 N ATOM 1304 CA ILE A 81 -0.569 -3.895 2.725 1.00 0.00 C ATOM 1305 C ILE A 81 0.111 -2.787 3.532 1.00 0.00 C ATOM 1306 O ILE A 81 1.233 -2.461 3.233 1.00 0.00 O ATOM 1307 CB ILE A 81 -1.407 -3.310 1.580 1.00 0.00 C ATOM 1308 CG1 ILE A 81 -0.486 -2.986 0.408 1.00 0.00 C ATOM 1309 CG2 ILE A 81 -2.186 -2.069 1.997 1.00 0.00 C ATOM 1310 CD1 ILE A 81 0.236 -1.668 0.548 1.00 0.00 C ATOM 0 H ILE A 81 -2.336 -4.669 3.547 1.00 0.00 H new ATOM 0 HA ILE A 81 0.228 -4.492 2.282 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.146 -4.057 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.250 -3.784 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.073 -2.973 -0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.761 -1.698 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -2.864 -2.322 2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.491 -1.298 2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.871 -1.507 -0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.492 -0.860 0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.851 -1.684 1.448 1.00 0.00 H new ATOM 1322 N ASN A 82 -0.533 -2.225 4.543 1.00 0.00 N ATOM 1323 CA ASN A 82 0.064 -1.150 5.354 1.00 0.00 C ATOM 1324 C ASN A 82 1.265 -1.665 6.119 1.00 0.00 C ATOM 1325 O ASN A 82 2.279 -0.985 6.290 1.00 0.00 O ATOM 1326 CB ASN A 82 -0.959 -0.610 6.362 1.00 0.00 C ATOM 1327 CG ASN A 82 -0.352 0.377 7.350 1.00 0.00 C ATOM 1328 OD1 ASN A 82 -0.363 1.652 7.005 1.00 0.00 O flip ATOM 1329 ND2 ASN A 82 0.115 -0.006 8.423 1.00 0.00 N flip ATOM 0 H ASN A 82 -1.475 -2.490 4.831 1.00 0.00 H new ATOM 0 HA ASN A 82 0.373 -0.354 4.676 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.771 -0.123 5.822 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.396 -1.444 6.911 1.00 0.00 H new ATOM 0 HD21 ASN A 82 0.107 -0.999 8.657 1.00 0.00 H new ATOM 0 HD22 ASN A 82 0.510 0.669 9.078 1.00 0.00 H new ATOM 1336 N ASN A 83 1.117 -2.876 6.581 1.00 0.00 N ATOM 1337 CA ASN A 83 2.082 -3.505 7.435 1.00 0.00 C ATOM 1338 C ASN A 83 3.226 -4.077 6.579 1.00 0.00 C ATOM 1339 O ASN A 83 4.410 -3.937 6.903 1.00 0.00 O ATOM 1340 CB ASN A 83 1.291 -4.536 8.248 1.00 0.00 C ATOM 1341 CG ASN A 83 1.708 -5.978 8.021 1.00 0.00 C ATOM 1342 OD1 ASN A 83 1.226 -6.642 7.103 1.00 0.00 O ATOM 1343 ND2 ASN A 83 2.578 -6.484 8.880 1.00 0.00 N ATOM 0 H ASN A 83 0.309 -3.462 6.370 1.00 0.00 H new ATOM 0 HA ASN A 83 2.580 -2.828 8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 83 1.399 -4.303 9.307 1.00 0.00 H new ATOM 0 HB3 ASN A 83 0.233 -4.436 8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.872 -7.457 8.795 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.955 -5.901 9.627 1.00 0.00 H new ATOM 1350 N LYS A 84 2.844 -4.684 5.457 1.00 0.00 N ATOM 1351 CA LYS A 84 3.807 -5.056 4.429 1.00 0.00 C ATOM 1352 C LYS A 84 4.380 -3.794 3.794 1.00 0.00 C ATOM 1353 O LYS A 84 5.434 -3.826 3.190 1.00 0.00 O ATOM 1354 CB LYS A 84 3.159 -5.928 3.349 1.00 0.00 C ATOM 1355 CG LYS A 84 4.097 -6.339 2.225 1.00 0.00 C ATOM 1356 CD LYS A 84 3.335 -6.961 1.067 1.00 0.00 C ATOM 1357 CE LYS A 84 4.262 -7.325 -0.080 1.00 0.00 C ATOM 1358 NZ LYS A 84 3.511 -7.800 -1.273 1.00 0.00 N ATOM 0 H LYS A 84 1.878 -4.927 5.239 1.00 0.00 H new ATOM 0 HA LYS A 84 4.604 -5.634 4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.758 -6.827 3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.315 -5.387 2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.649 -5.468 1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.831 -7.050 2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.813 -7.854 1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.575 -6.264 0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.862 -6.456 -0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.954 -8.101 0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.138 -7.795 -2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.167 -8.767 -1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.702 -7.170 -1.447 1.00 0.00 H new ATOM 1372 N LEU A 85 3.664 -2.687 3.930 1.00 0.00 N ATOM 1373 CA LEU A 85 4.127 -1.404 3.426 1.00 0.00 C ATOM 1374 C LEU A 85 5.282 -0.968 4.259 1.00 0.00 C ATOM 1375 O LEU A 85 6.316 -0.631 3.729 1.00 0.00 O ATOM 1376 CB LEU A 85 3.019 -0.342 3.434 1.00 0.00 C ATOM 1377 CG LEU A 85 3.380 1.001 2.799 1.00 0.00 C ATOM 1378 CD1 LEU A 85 2.202 1.542 2.006 1.00 0.00 C ATOM 1379 CD2 LEU A 85 3.801 2.000 3.866 1.00 0.00 C ATOM 0 H LEU A 85 2.754 -2.653 4.389 1.00 0.00 H new ATOM 0 HA LEU A 85 4.429 -1.521 2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.150 -0.746 2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.719 -0.165 4.467 1.00 0.00 H new ATOM 0 HG LEU A 85 4.219 0.848 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.473 2.499 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.938 0.836 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.349 1.680 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.054 2.950 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.981 2.150 4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.670 1.617 4.400 1.00 0.00 H new ATOM 1391 N GLU A 86 5.125 -1.019 5.568 1.00 0.00 N ATOM 1392 CA GLU A 86 6.248 -0.800 6.438 1.00 0.00 C ATOM 1393 C GLU A 86 7.377 -1.737 6.019 1.00 0.00 C ATOM 1394 O GLU A 86 8.502 -1.303 5.783 1.00 0.00 O ATOM 1395 CB GLU A 86 5.832 -1.041 7.882 1.00 0.00 C ATOM 1396 CG GLU A 86 6.995 -1.084 8.857 1.00 0.00 C ATOM 1397 CD GLU A 86 6.541 -1.163 10.296 1.00 0.00 C ATOM 1398 OE1 GLU A 86 6.306 -2.287 10.787 1.00 0.00 O ATOM 1399 OE2 GLU A 86 6.428 -0.101 10.943 1.00 0.00 O ATOM 0 H GLU A 86 4.241 -1.208 6.041 1.00 0.00 H new ATOM 0 HA GLU A 86 6.598 0.229 6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.143 -0.254 8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.286 -1.983 7.941 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.624 -1.945 8.630 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.611 -0.195 8.722 1.00 0.00 H new ATOM 1406 N ARG A 87 7.036 -3.021 5.850 1.00 0.00 N ATOM 1407 CA ARG A 87 8.030 -4.013 5.442 1.00 0.00 C ATOM 1408 C ARG A 87 8.700 -3.657 4.106 1.00 0.00 C ATOM 1409 O ARG A 87 9.927 -3.712 3.977 1.00 0.00 O ATOM 1410 CB ARG A 87 7.406 -5.384 5.345 1.00 0.00 C ATOM 1411 CG ARG A 87 8.318 -6.433 4.725 1.00 0.00 C ATOM 1412 CD ARG A 87 7.614 -7.765 4.520 1.00 0.00 C ATOM 1413 NE ARG A 87 8.449 -8.699 3.762 1.00 0.00 N ATOM 1414 CZ ARG A 87 8.099 -9.947 3.451 1.00 0.00 C ATOM 1415 NH1 ARG A 87 6.924 -10.430 3.826 1.00 0.00 N ATOM 1416 NH2 ARG A 87 8.927 -10.712 2.749 1.00 0.00 N ATOM 0 H ARG A 87 6.095 -3.390 5.987 1.00 0.00 H new ATOM 0 HA ARG A 87 8.802 -4.015 6.211 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.117 -5.712 6.343 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.492 -5.316 4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.687 -6.069 3.766 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.187 -6.579 5.366 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.366 -8.200 5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.674 -7.604 3.992 1.00 0.00 H new ATOM 0 HE ARG A 87 9.363 -8.371 3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.278 -9.846 4.357 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.665 -11.386 3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.830 -10.344 2.448 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.660 -11.667 2.510 1.00 0.00 H new ATOM 1430 N GLN A 88 7.906 -3.225 3.138 1.00 0.00 N ATOM 1431 CA GLN A 88 8.351 -3.162 1.754 1.00 0.00 C ATOM 1432 C GLN A 88 8.948 -1.817 1.511 1.00 0.00 C ATOM 1433 O GLN A 88 9.980 -1.671 0.863 1.00 0.00 O ATOM 1434 CB GLN A 88 7.178 -3.363 0.796 1.00 0.00 C ATOM 1435 CG GLN A 88 7.592 -3.726 -0.624 1.00 0.00 C ATOM 1436 CD GLN A 88 8.514 -4.931 -0.685 1.00 0.00 C ATOM 1437 OE1 GLN A 88 8.466 -5.817 0.170 1.00 0.00 O ATOM 1438 NE2 GLN A 88 9.354 -4.975 -1.708 1.00 0.00 N ATOM 0 H GLN A 88 6.947 -2.912 3.286 1.00 0.00 H new ATOM 0 HA GLN A 88 9.082 -3.951 1.579 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.533 -4.150 1.188 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.585 -2.449 0.768 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.699 -3.928 -1.216 1.00 0.00 H new ATOM 0 HG3 GLN A 88 8.090 -2.871 -1.081 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.362 -4.220 -2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.993 -5.763 -1.810 1.00 0.00 H new ATOM 1447 N VAL A 89 8.273 -0.837 2.061 1.00 0.00 N ATOM 1448 CA VAL A 89 8.720 0.515 2.010 1.00 0.00 C ATOM 1449 C VAL A 89 10.084 0.623 2.655 1.00 0.00 C ATOM 1450 O VAL A 89 11.001 1.208 2.090 1.00 0.00 O ATOM 1451 CB VAL A 89 7.707 1.444 2.694 1.00 0.00 C ATOM 1452 CG1 VAL A 89 8.372 2.694 3.261 1.00 0.00 C ATOM 1453 CG2 VAL A 89 6.617 1.834 1.710 1.00 0.00 C ATOM 0 H VAL A 89 7.392 -0.967 2.558 1.00 0.00 H new ATOM 0 HA VAL A 89 8.802 0.827 0.969 1.00 0.00 H new ATOM 0 HB VAL A 89 7.269 0.898 3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.619 3.323 3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.121 2.405 3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.852 3.248 2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.902 2.493 2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.062 2.351 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.104 0.938 1.361 1.00 0.00 H new ATOM 1463 N ARG A 90 10.220 0.013 3.825 1.00 0.00 N ATOM 1464 CA ARG A 90 11.516 -0.012 4.504 1.00 0.00 C ATOM 1465 C ARG A 90 12.517 -0.842 3.722 1.00 0.00 C ATOM 1466 O ARG A 90 13.663 -0.443 3.580 1.00 0.00 O ATOM 1467 CB ARG A 90 11.444 -0.551 5.932 1.00 0.00 C ATOM 1468 CG ARG A 90 10.706 0.352 6.914 1.00 0.00 C ATOM 1469 CD ARG A 90 11.363 1.717 7.049 1.00 0.00 C ATOM 1470 NE ARG A 90 12.729 1.635 7.568 1.00 0.00 N ATOM 1471 CZ ARG A 90 13.448 2.696 7.937 1.00 0.00 C ATOM 1472 NH1 ARG A 90 12.929 3.916 7.853 1.00 0.00 N ATOM 1473 NH2 ARG A 90 14.682 2.540 8.395 1.00 0.00 N ATOM 0 H ARG A 90 9.466 -0.464 4.319 1.00 0.00 H new ATOM 0 HA ARG A 90 11.838 1.028 4.557 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.954 -1.524 5.915 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.458 -0.711 6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.675 0.479 6.583 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.671 -0.130 7.891 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.377 2.207 6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.763 2.341 7.712 1.00 0.00 H new ATOM 0 HE ARG A 90 13.156 0.713 7.652 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.978 4.043 7.506 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.481 4.726 8.136 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.085 1.606 8.466 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.228 3.354 8.676 1.00 0.00 H new ATOM 1487 N LYS A 91 12.087 -1.988 3.200 1.00 0.00 N ATOM 1488 CA LYS A 91 12.983 -2.838 2.439 1.00 0.00 C ATOM 1489 C LYS A 91 13.553 -2.061 1.276 1.00 0.00 C ATOM 1490 O LYS A 91 14.765 -2.003 1.072 1.00 0.00 O ATOM 1491 CB LYS A 91 12.272 -4.056 1.947 1.00 0.00 C ATOM 1492 CG LYS A 91 13.112 -4.977 1.072 1.00 0.00 C ATOM 1493 CD LYS A 91 14.249 -5.619 1.851 1.00 0.00 C ATOM 1494 CE LYS A 91 15.114 -6.502 0.961 1.00 0.00 C ATOM 1495 NZ LYS A 91 14.326 -7.578 0.303 1.00 0.00 N ATOM 0 H LYS A 91 11.135 -2.342 3.291 1.00 0.00 H new ATOM 0 HA LYS A 91 13.795 -3.161 3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.914 -4.622 2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.394 -3.743 1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.477 -5.755 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.520 -4.410 0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.866 -4.841 2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.840 -6.215 2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.594 -5.888 0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.909 -6.949 1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.973 -8.261 -0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.742 -8.064 1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.711 -7.162 -0.425 1.00 0.00 H new ATOM 1509 N TYR A 92 12.658 -1.409 0.564 1.00 0.00 N ATOM 1510 CA TYR A 92 13.015 -0.691 -0.643 1.00 0.00 C ATOM 1511 C TYR A 92 13.830 0.556 -0.314 1.00 0.00 C ATOM 1512 O TYR A 92 14.938 0.723 -0.823 1.00 0.00 O ATOM 1513 CB TYR A 92 11.758 -0.309 -1.426 1.00 0.00 C ATOM 1514 CG TYR A 92 11.972 -0.251 -2.922 1.00 0.00 C ATOM 1515 CD1 TYR A 92 12.464 0.892 -3.536 1.00 0.00 C ATOM 1516 CD2 TYR A 92 11.680 -1.349 -3.720 1.00 0.00 C ATOM 1517 CE1 TYR A 92 12.658 0.940 -4.903 1.00 0.00 C ATOM 1518 CE2 TYR A 92 11.871 -1.310 -5.087 1.00 0.00 C ATOM 1519 CZ TYR A 92 12.359 -0.163 -5.674 1.00 0.00 C ATOM 1520 OH TYR A 92 12.551 -0.120 -7.037 1.00 0.00 O ATOM 0 H TYR A 92 11.668 -1.361 0.803 1.00 0.00 H new ATOM 0 HA TYR A 92 13.629 -1.348 -1.260 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.971 -1.030 -1.208 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.405 0.663 -1.080 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.699 1.758 -2.935 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.297 -2.250 -3.263 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.042 1.837 -5.365 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.639 -2.174 -5.693 1.00 0.00 H new ATOM 0 HH TYR A 92 12.293 -0.979 -7.431 1.00 0.00 H new ATOM 1530 N LYS A 93 13.294 1.412 0.561 1.00 0.00 N ATOM 1531 CA LYS A 93 13.945 2.681 0.872 1.00 0.00 C ATOM 1532 C LYS A 93 15.268 2.441 1.585 1.00 0.00 C ATOM 1533 O LYS A 93 16.264 3.085 1.280 1.00 0.00 O ATOM 1534 CB LYS A 93 13.028 3.606 1.703 1.00 0.00 C ATOM 1535 CG LYS A 93 12.923 3.269 3.192 1.00 0.00 C ATOM 1536 CD LYS A 93 13.922 4.047 4.046 1.00 0.00 C ATOM 1537 CE LYS A 93 13.709 5.554 3.970 1.00 0.00 C ATOM 1538 NZ LYS A 93 12.346 5.960 4.408 1.00 0.00 N ATOM 0 H LYS A 93 12.420 1.249 1.060 1.00 0.00 H new ATOM 0 HA LYS A 93 14.147 3.190 -0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.390 4.630 1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.027 3.579 1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.912 3.483 3.538 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.088 2.200 3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.837 3.724 5.083 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.935 3.810 3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.451 6.054 4.592 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.873 5.890 2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.300 6.996 4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.646 5.632 3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.138 5.536 5.334 1.00 0.00 H new ATOM 1552 N THR A 94 15.289 1.496 2.511 1.00 0.00 N ATOM 1553 CA THR A 94 16.491 1.225 3.264 1.00 0.00 C ATOM 1554 C THR A 94 17.548 0.572 2.372 1.00 0.00 C ATOM 1555 O THR A 94 18.715 0.954 2.410 1.00 0.00 O ATOM 1556 CB THR A 94 16.198 0.364 4.519 1.00 0.00 C ATOM 1557 OG1 THR A 94 15.422 1.127 5.452 1.00 0.00 O ATOM 1558 CG2 THR A 94 17.483 -0.099 5.188 1.00 0.00 C ATOM 0 H THR A 94 14.490 0.910 2.754 1.00 0.00 H new ATOM 0 HA THR A 94 16.887 2.177 3.617 1.00 0.00 H new ATOM 0 HB THR A 94 15.643 -0.519 4.202 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.468 0.966 5.293 1.00 0.00 H new ATOM 0 HG21 THR A 94 17.241 -0.700 6.064 1.00 0.00 H new ATOM 0 HG22 THR A 94 18.063 -0.698 4.486 1.00 0.00 H new ATOM 0 HG23 THR A 94 18.067 0.769 5.494 1.00 0.00 H new ATOM 1566 N ARG A 95 17.135 -0.374 1.530 1.00 0.00 N ATOM 1567 CA ARG A 95 18.070 -1.024 0.620 1.00 0.00 C ATOM 1568 C ARG A 95 18.599 -0.035 -0.421 1.00 0.00 C ATOM 1569 O ARG A 95 19.780 -0.070 -0.768 1.00 0.00 O ATOM 1570 CB ARG A 95 17.410 -2.223 -0.067 1.00 0.00 C ATOM 1571 CG ARG A 95 18.324 -3.021 -0.989 1.00 0.00 C ATOM 1572 CD ARG A 95 19.533 -3.591 -0.258 1.00 0.00 C ATOM 1573 NE ARG A 95 20.642 -2.637 -0.186 1.00 0.00 N ATOM 1574 CZ ARG A 95 21.810 -2.892 0.406 1.00 0.00 C ATOM 1575 NH1 ARG A 95 22.003 -4.046 1.032 1.00 0.00 N ATOM 1576 NH2 ARG A 95 22.782 -1.990 0.376 1.00 0.00 N ATOM 0 H ARG A 95 16.172 -0.703 1.460 1.00 0.00 H new ATOM 0 HA ARG A 95 18.915 -1.384 1.207 1.00 0.00 H new ATOM 0 HB2 ARG A 95 17.019 -2.892 0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 95 16.557 -1.867 -0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 95 17.758 -3.836 -1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 95 18.664 -2.380 -1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 95 19.241 -3.881 0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 95 19.868 -4.496 -0.765 1.00 0.00 H new ATOM 0 HE ARG A 95 20.513 -1.721 -0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 95 21.257 -4.741 1.062 1.00 0.00 H new ATOM 0 HH12 ARG A 95 22.897 -4.238 1.484 1.00 0.00 H new ATOM 0 HH21 ARG A 95 22.637 -1.100 -0.100 1.00 0.00 H new ATOM 0 HH22 ARG A 95 23.674 -2.187 0.829 1.00 0.00 H new ATOM 1590 N ILE A 96 17.739 0.857 -0.905 1.00 0.00 N ATOM 1591 CA ILE A 96 18.157 1.824 -1.915 1.00 0.00 C ATOM 1592 C ILE A 96 18.991 2.946 -1.286 1.00 0.00 C ATOM 1593 O ILE A 96 19.916 3.460 -1.909 1.00 0.00 O ATOM 1594 CB ILE A 96 16.954 2.414 -2.703 1.00 0.00 C ATOM 1595 CG1 ILE A 96 17.432 3.069 -4.001 1.00 0.00 C ATOM 1596 CG2 ILE A 96 16.180 3.424 -1.870 1.00 0.00 C ATOM 1597 CD1 ILE A 96 18.029 2.093 -4.991 1.00 0.00 C ATOM 0 H ILE A 96 16.763 0.930 -0.619 1.00 0.00 H new ATOM 0 HA ILE A 96 18.777 1.285 -2.631 1.00 0.00 H new ATOM 0 HB ILE A 96 16.285 1.588 -2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 96 16.592 3.580 -4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 96 18.175 3.830 -3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 96 15.347 3.815 -2.454 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.798 2.938 -0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 96 16.840 4.244 -1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 96 18.345 2.630 -5.886 1.00 0.00 H new ATOM 0 HD12 ILE A 96 18.890 1.599 -4.541 1.00 0.00 H new ATOM 0 HD13 ILE A 96 17.282 1.346 -5.261 1.00 0.00 H new ATOM 1609 N ASN A 97 18.682 3.303 -0.039 1.00 0.00 N ATOM 1610 CA ASN A 97 19.467 4.302 0.689 1.00 0.00 C ATOM 1611 C ASN A 97 20.844 3.743 1.017 1.00 0.00 C ATOM 1612 O ASN A 97 21.847 4.456 0.964 1.00 0.00 O ATOM 1613 CB ASN A 97 18.757 4.737 1.979 1.00 0.00 C ATOM 1614 CG ASN A 97 17.674 5.783 1.748 1.00 0.00 C ATOM 1615 OD1 ASN A 97 17.106 5.811 0.553 1.00 0.00 O flip ATOM 1616 ND2 ASN A 97 17.355 6.566 2.643 1.00 0.00 N flip ATOM 0 H ASN A 97 17.897 2.918 0.487 1.00 0.00 H new ATOM 0 HA ASN A 97 19.574 5.179 0.050 1.00 0.00 H new ATOM 0 HB2 ASN A 97 18.312 3.862 2.453 1.00 0.00 H new ATOM 0 HB3 ASN A 97 19.495 5.136 2.675 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.814 6.516 3.552 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.631 7.265 2.475 1.00 0.00 H new ATOM 1623 N ARG A 98 20.889 2.456 1.341 1.00 0.00 N ATOM 1624 CA ARG A 98 22.155 1.776 1.589 1.00 0.00 C ATOM 1625 C ARG A 98 22.880 1.482 0.280 1.00 0.00 C ATOM 1626 O ARG A 98 24.022 1.034 0.281 1.00 0.00 O ATOM 1627 CB ARG A 98 21.930 0.470 2.355 1.00 0.00 C ATOM 1628 CG ARG A 98 21.442 0.655 3.783 1.00 0.00 C ATOM 1629 CD ARG A 98 22.424 1.464 4.615 1.00 0.00 C ATOM 1630 NE ARG A 98 23.782 0.921 4.552 1.00 0.00 N ATOM 1631 CZ ARG A 98 24.387 0.289 5.555 1.00 0.00 C ATOM 1632 NH1 ARG A 98 23.723 0.009 6.670 1.00 0.00 N ATOM 1633 NH2 ARG A 98 25.648 -0.093 5.418 1.00 0.00 N ATOM 0 H ARG A 98 20.065 1.863 1.438 1.00 0.00 H new ATOM 0 HA ARG A 98 22.773 2.440 2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 98 21.204 -0.135 1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 98 22.864 -0.092 2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 98 20.474 1.156 3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 98 21.292 -0.321 4.245 1.00 0.00 H new ATOM 0 HD2 ARG A 98 22.431 2.496 4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 98 22.090 1.482 5.652 1.00 0.00 H new ATOM 0 HE ARG A 98 24.300 1.035 3.680 1.00 0.00 H new ATOM 0 HH11 ARG A 98 22.743 0.278 6.762 1.00 0.00 H new ATOM 0 HH12 ARG A 98 24.192 -0.476 7.435 1.00 0.00 H new ATOM 0 HH21 ARG A 98 26.147 0.098 4.549 1.00 0.00 H new ATOM 0 HH22 ARG A 98 26.120 -0.578 6.181 1.00 0.00 H new ATOM 1647 N LYS A 99 22.199 1.696 -0.834 1.00 0.00 N ATOM 1648 CA LYS A 99 22.804 1.501 -2.141 1.00 0.00 C ATOM 1649 C LYS A 99 23.425 2.801 -2.638 1.00 0.00 C ATOM 1650 O LYS A 99 24.543 2.815 -3.147 1.00 0.00 O ATOM 1651 CB LYS A 99 21.761 0.997 -3.140 1.00 0.00 C ATOM 1652 CG LYS A 99 22.330 0.669 -4.510 1.00 0.00 C ATOM 1653 CD LYS A 99 21.247 0.180 -5.457 1.00 0.00 C ATOM 1654 CE LYS A 99 21.818 -0.204 -6.811 1.00 0.00 C ATOM 1655 NZ LYS A 99 22.792 -1.321 -6.709 1.00 0.00 N ATOM 0 H LYS A 99 21.227 2.005 -0.859 1.00 0.00 H new ATOM 0 HA LYS A 99 23.591 0.752 -2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 99 21.283 0.106 -2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 99 20.984 1.753 -3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 99 22.809 1.554 -4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 99 23.102 -0.094 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.741 -0.680 -5.018 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.497 0.960 -5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 99 21.006 -0.491 -7.478 1.00 0.00 H new ATOM 0 HE3 LYS A 99 22.306 0.662 -7.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 22.964 -1.719 -7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 23.687 -0.967 -6.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 22.408 -2.061 -6.087 1.00 0.00 H new ATOM 1669 N SER A 100 22.692 3.891 -2.481 1.00 0.00 N ATOM 1670 CA SER A 100 23.134 5.185 -2.970 1.00 0.00 C ATOM 1671 C SER A 100 24.107 5.850 -1.999 1.00 0.00 C ATOM 1672 O SER A 100 25.163 6.343 -2.404 1.00 0.00 O ATOM 1673 CB SER A 100 21.918 6.082 -3.203 1.00 0.00 C ATOM 1674 OG SER A 100 21.068 6.075 -2.068 1.00 0.00 O ATOM 0 H SER A 100 21.784 3.904 -2.016 1.00 0.00 H new ATOM 0 HA SER A 100 23.664 5.035 -3.910 1.00 0.00 H new ATOM 0 HB2 SER A 100 22.245 7.100 -3.413 1.00 0.00 H new ATOM 0 HB3 SER A 100 21.368 5.737 -4.078 1.00 0.00 H new ATOM 0 HG SER A 100 20.543 5.248 -2.058 1.00 0.00 H new ATOM 1680 N ARG A 101 23.753 5.861 -0.722 1.00 0.00 N ATOM 1681 CA ARG A 101 24.559 6.534 0.285 1.00 0.00 C ATOM 1682 C ARG A 101 25.481 5.543 0.984 1.00 0.00 C ATOM 1683 O ARG A 101 26.699 5.590 0.804 1.00 0.00 O ATOM 1684 CB ARG A 101 23.658 7.239 1.306 1.00 0.00 C ATOM 1685 CG ARG A 101 22.557 8.070 0.664 1.00 0.00 C ATOM 1686 CD ARG A 101 21.809 8.914 1.683 1.00 0.00 C ATOM 1687 NE ARG A 101 21.273 8.123 2.788 1.00 0.00 N ATOM 1688 CZ ARG A 101 20.102 8.356 3.374 1.00 0.00 C ATOM 1689 NH1 ARG A 101 19.291 9.298 2.904 1.00 0.00 N ATOM 1690 NH2 ARG A 101 19.740 7.635 4.425 1.00 0.00 N ATOM 0 H ARG A 101 22.913 5.411 -0.359 1.00 0.00 H new ATOM 0 HA ARG A 101 25.175 7.284 -0.212 1.00 0.00 H new ATOM 0 HB2 ARG A 101 23.206 6.492 1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 101 24.270 7.884 1.936 1.00 0.00 H new ATOM 0 HG2 ARG A 101 22.991 8.720 -0.096 1.00 0.00 H new ATOM 0 HG3 ARG A 101 21.855 7.409 0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 101 22.480 9.676 2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 101 20.992 9.436 1.186 1.00 0.00 H new ATOM 0 HE ARG A 101 21.832 7.342 3.132 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.565 9.847 2.089 1.00 0.00 H new ATOM 0 HH12 ARG A 101 18.394 9.472 3.358 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.358 6.906 4.781 1.00 0.00 H new ATOM 0 HH22 ARG A 101 18.843 7.809 4.879 1.00 0.00 H new ATOM 1704 N ASP A 102 24.886 4.647 1.770 1.00 0.00 N ATOM 1705 CA ASP A 102 25.630 3.618 2.502 1.00 0.00 C ATOM 1706 C ASP A 102 26.695 4.246 3.401 1.00 0.00 C ATOM 1707 O ASP A 102 27.897 4.072 3.190 1.00 0.00 O ATOM 1708 CB ASP A 102 26.273 2.615 1.537 1.00 0.00 C ATOM 1709 CG ASP A 102 26.868 1.417 2.250 1.00 0.00 C ATOM 1710 OD1 ASP A 102 28.090 1.185 2.127 1.00 0.00 O ATOM 1711 OD2 ASP A 102 26.116 0.694 2.933 1.00 0.00 O ATOM 0 H ASP A 102 23.877 4.612 1.918 1.00 0.00 H new ATOM 0 HA ASP A 102 24.920 3.083 3.133 1.00 0.00 H new ATOM 0 HB2 ASP A 102 25.524 2.273 0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 102 27.053 3.117 0.965 1.00 0.00 H new ATOM 1716 N ARG A 103 26.242 4.992 4.392 1.00 0.00 N ATOM 1717 CA ARG A 103 27.142 5.663 5.322 1.00 0.00 C ATOM 1718 C ARG A 103 26.868 5.194 6.743 1.00 0.00 C ATOM 1719 O ARG A 103 27.017 5.952 7.703 1.00 0.00 O ATOM 1720 CB ARG A 103 26.971 7.180 5.235 1.00 0.00 C ATOM 1721 CG ARG A 103 27.254 7.753 3.858 1.00 0.00 C ATOM 1722 CD ARG A 103 27.080 9.261 3.845 1.00 0.00 C ATOM 1723 NE ARG A 103 28.001 9.925 4.768 1.00 0.00 N ATOM 1724 CZ ARG A 103 27.817 11.150 5.258 1.00 0.00 C ATOM 1725 NH1 ARG A 103 26.729 11.845 4.946 1.00 0.00 N ATOM 1726 NH2 ARG A 103 28.722 11.676 6.071 1.00 0.00 N ATOM 0 H ARG A 103 25.252 5.151 4.577 1.00 0.00 H new ATOM 0 HA ARG A 103 28.168 5.411 5.052 1.00 0.00 H new ATOM 0 HB2 ARG A 103 25.952 7.438 5.523 1.00 0.00 H new ATOM 0 HB3 ARG A 103 27.636 7.653 5.958 1.00 0.00 H new ATOM 0 HG2 ARG A 103 28.270 7.499 3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 103 26.583 7.300 3.128 1.00 0.00 H new ATOM 0 HD2 ARG A 103 27.245 9.637 2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 103 26.054 9.510 4.114 1.00 0.00 H new ATOM 0 HE ARG A 103 28.838 9.417 5.055 1.00 0.00 H new ATOM 0 HH11 ARG A 103 26.026 11.441 4.327 1.00 0.00 H new ATOM 0 HH12 ARG A 103 26.596 12.782 5.326 1.00 0.00 H new ATOM 0 HH21 ARG A 103 29.556 11.143 6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 103 28.585 12.614 6.448 1.00 0.00 H new ATOM 1740 N GLY A 104 26.465 3.939 6.869 1.00 0.00 N ATOM 1741 CA GLY A 104 26.031 3.436 8.153 1.00 0.00 C ATOM 1742 C GLY A 104 24.703 4.046 8.533 1.00 0.00 C ATOM 1743 O GLY A 104 24.500 4.465 9.672 1.00 0.00 O ATOM 0 H GLY A 104 26.431 3.262 6.107 1.00 0.00 H new ATOM 0 HA2 GLY A 104 25.943 2.350 8.115 1.00 0.00 H new ATOM 0 HA3 GLY A 104 26.777 3.669 8.913 1.00 0.00 H new ATOM 1747 N ASP A 105 23.808 4.100 7.552 1.00 0.00 N ATOM 1748 CA ASP A 105 22.502 4.743 7.693 1.00 0.00 C ATOM 1749 C ASP A 105 21.674 4.096 8.798 1.00 0.00 C ATOM 1750 O ASP A 105 20.739 4.696 9.322 1.00 0.00 O ATOM 1751 CB ASP A 105 21.746 4.668 6.362 1.00 0.00 C ATOM 1752 CG ASP A 105 22.541 5.246 5.204 1.00 0.00 C ATOM 1753 OD1 ASP A 105 22.172 6.326 4.700 1.00 0.00 O ATOM 1754 OD2 ASP A 105 23.545 4.619 4.798 1.00 0.00 O ATOM 0 H ASP A 105 23.968 3.696 6.629 1.00 0.00 H new ATOM 0 HA ASP A 105 22.666 5.785 7.967 1.00 0.00 H new ATOM 0 HB2 ASP A 105 21.501 3.628 6.146 1.00 0.00 H new ATOM 0 HB3 ASP A 105 20.802 5.206 6.454 1.00 0.00 H new ATOM 1759 N GLN A 106 22.029 2.865 9.148 1.00 0.00 N ATOM 1760 CA GLN A 106 21.370 2.153 10.234 1.00 0.00 C ATOM 1761 C GLN A 106 21.635 2.849 11.566 1.00 0.00 C ATOM 1762 O GLN A 106 20.787 2.865 12.458 1.00 0.00 O ATOM 1763 CB GLN A 106 21.885 0.717 10.301 1.00 0.00 C ATOM 1764 CG GLN A 106 21.247 -0.112 11.400 1.00 0.00 C ATOM 1765 CD GLN A 106 21.996 -1.399 11.657 1.00 0.00 C ATOM 1766 OE1 GLN A 106 21.717 -2.429 11.049 1.00 0.00 O ATOM 1767 NE2 GLN A 106 22.958 -1.344 12.562 1.00 0.00 N ATOM 0 H GLN A 106 22.774 2.338 8.692 1.00 0.00 H new ATOM 0 HA GLN A 106 20.297 2.148 10.044 1.00 0.00 H new ATOM 0 HB2 GLN A 106 21.705 0.231 9.342 1.00 0.00 H new ATOM 0 HB3 GLN A 106 22.964 0.735 10.452 1.00 0.00 H new ATOM 0 HG2 GLN A 106 21.210 0.474 12.319 1.00 0.00 H new ATOM 0 HG3 GLN A 106 20.217 -0.342 11.127 1.00 0.00 H new ATOM 0 HE21 GLN A 106 23.156 -0.467 13.043 1.00 0.00 H new ATOM 0 HE22 GLN A 106 23.502 -2.179 12.779 1.00 0.00 H new ATOM 1776 N GLU A 107 22.813 3.447 11.678 1.00 0.00 N ATOM 1777 CA GLU A 107 23.260 4.043 12.923 1.00 0.00 C ATOM 1778 C GLU A 107 22.912 5.526 12.971 1.00 0.00 C ATOM 1779 O GLU A 107 23.709 6.357 13.406 1.00 0.00 O ATOM 1780 CB GLU A 107 24.765 3.838 13.083 1.00 0.00 C ATOM 1781 CG GLU A 107 25.190 2.379 13.000 1.00 0.00 C ATOM 1782 CD GLU A 107 24.635 1.539 14.133 1.00 0.00 C ATOM 1783 OE1 GLU A 107 23.498 1.032 14.015 1.00 0.00 O ATOM 1784 OE2 GLU A 107 25.342 1.369 15.146 1.00 0.00 O ATOM 0 H GLU A 107 23.480 3.531 10.911 1.00 0.00 H new ATOM 0 HA GLU A 107 22.746 3.553 13.750 1.00 0.00 H new ATOM 0 HB2 GLU A 107 25.285 4.404 12.311 1.00 0.00 H new ATOM 0 HB3 GLU A 107 25.079 4.246 14.044 1.00 0.00 H new ATOM 0 HG2 GLU A 107 24.858 1.962 12.049 1.00 0.00 H new ATOM 0 HG3 GLU A 107 26.278 2.321 13.011 1.00 0.00 H new ATOM 1791 N VAL A 108 21.713 5.847 12.518 1.00 0.00 N ATOM 1792 CA VAL A 108 21.208 7.210 12.582 1.00 0.00 C ATOM 1793 C VAL A 108 20.342 7.359 13.834 1.00 0.00 C ATOM 1794 O VAL A 108 19.689 8.378 14.062 1.00 0.00 O ATOM 1795 CB VAL A 108 20.401 7.569 11.309 1.00 0.00 C ATOM 1796 CG1 VAL A 108 19.067 6.837 11.274 1.00 0.00 C ATOM 1797 CG2 VAL A 108 20.202 9.075 11.188 1.00 0.00 C ATOM 0 H VAL A 108 21.066 5.179 12.099 1.00 0.00 H new ATOM 0 HA VAL A 108 22.049 7.901 12.636 1.00 0.00 H new ATOM 0 HB VAL A 108 20.983 7.239 10.448 1.00 0.00 H new ATOM 0 HG11 VAL A 108 18.525 7.111 10.369 1.00 0.00 H new ATOM 0 HG12 VAL A 108 19.242 5.761 11.281 1.00 0.00 H new ATOM 0 HG13 VAL A 108 18.477 7.114 12.147 1.00 0.00 H new ATOM 0 HG21 VAL A 108 19.633 9.295 10.285 1.00 0.00 H new ATOM 0 HG22 VAL A 108 19.658 9.441 12.059 1.00 0.00 H new ATOM 0 HG23 VAL A 108 21.173 9.567 11.134 1.00 0.00 H new ATOM 1807 N PHE A 109 20.356 6.317 14.651 1.00 0.00 N ATOM 1808 CA PHE A 109 19.581 6.289 15.880 1.00 0.00 C ATOM 1809 C PHE A 109 20.502 6.377 17.090 1.00 0.00 C ATOM 1810 O PHE A 109 20.084 6.139 18.225 1.00 0.00 O ATOM 1811 CB PHE A 109 18.750 5.006 15.950 1.00 0.00 C ATOM 1812 CG PHE A 109 17.779 4.848 14.814 1.00 0.00 C ATOM 1813 CD1 PHE A 109 18.106 4.082 13.708 1.00 0.00 C ATOM 1814 CD2 PHE A 109 16.539 5.464 14.854 1.00 0.00 C ATOM 1815 CE1 PHE A 109 17.215 3.932 12.662 1.00 0.00 C ATOM 1816 CE2 PHE A 109 15.644 5.320 13.811 1.00 0.00 C ATOM 1817 CZ PHE A 109 15.983 4.553 12.714 1.00 0.00 C ATOM 0 H PHE A 109 20.902 5.472 14.482 1.00 0.00 H new ATOM 0 HA PHE A 109 18.910 7.148 15.886 1.00 0.00 H new ATOM 0 HB2 PHE A 109 19.423 4.149 15.962 1.00 0.00 H new ATOM 0 HB3 PHE A 109 18.199 4.992 16.891 1.00 0.00 H new ATOM 0 HD1 PHE A 109 19.069 3.596 13.662 1.00 0.00 H new ATOM 0 HD2 PHE A 109 16.268 6.064 15.710 1.00 0.00 H new ATOM 0 HE1 PHE A 109 17.482 3.330 11.806 1.00 0.00 H new ATOM 0 HE2 PHE A 109 14.681 5.807 13.854 1.00 0.00 H new ATOM 0 HZ PHE A 109 15.285 4.439 11.898 1.00 0.00 H new ATOM 1827 N VAL A 110 21.754 6.722 16.843 1.00 0.00 N ATOM 1828 CA VAL A 110 22.744 6.811 17.903 1.00 0.00 C ATOM 1829 C VAL A 110 22.929 8.265 18.320 1.00 0.00 C ATOM 1830 O VAL A 110 22.210 8.716 19.237 1.00 0.00 O ATOM 1831 CB VAL A 110 24.103 6.225 17.463 1.00 0.00 C ATOM 1832 CG1 VAL A 110 25.084 6.202 18.627 1.00 0.00 C ATOM 1833 CG2 VAL A 110 23.925 4.830 16.883 1.00 0.00 C ATOM 1834 OXT VAL A 110 23.772 8.958 17.712 1.00 0.00 O ATOM 0 H VAL A 110 22.110 6.946 15.914 1.00 0.00 H new ATOM 0 HA VAL A 110 22.379 6.226 18.747 1.00 0.00 H new ATOM 0 HB VAL A 110 24.514 6.868 16.685 1.00 0.00 H new ATOM 0 HG11 VAL A 110 26.034 5.785 18.294 1.00 0.00 H new ATOM 0 HG12 VAL A 110 25.241 7.217 18.991 1.00 0.00 H new ATOM 0 HG13 VAL A 110 24.680 5.587 19.431 1.00 0.00 H new ATOM 0 HG21 VAL A 110 24.895 4.436 16.579 1.00 0.00 H new ATOM 0 HG22 VAL A 110 23.487 4.176 17.637 1.00 0.00 H new ATOM 0 HG23 VAL A 110 23.265 4.878 16.017 1.00 0.00 H new TER 1844 VAL A 110