USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 579 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 54 HIS : no HD1:sc= -1.71 K(o=-4.1,f=-7.2!) USER MOD Set 1.2: A 58 GLN :FLIP amide:sc= -2.36 F(o=-4.9!,f=-4.1) USER MOD Single : A 1 ASN : amide:sc= 0.546 K(o=0.55,f=-6.5!) USER MOD Single : A 1 ASN N :NH3+ -178:sc= 0.752 (180deg=0.735) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -71:sc=-0.00596 USER MOD Single : A 12 GLN : amide:sc= -1.17 K(o=-1.2,f=-3.4) USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -0.0553 (180deg=-0.533) USER MOD Single : A 18 ASN : amide:sc= -1.36! C(o=-1.4!,f=-4.4!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0.00139 (180deg=0.00112) USER MOD Single : A 31 HIS : no HD1:sc= -1.04 K(o=-1,f=-3.2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0324 USER MOD Single : A 41 THR OG1 : rot 60:sc= 1.44 USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= -0.107 (180deg=-0.634) USER MOD Single : A 43 TYR OH : rot 150:sc= -0.636 USER MOD Single : A 45 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.041) USER MOD Single : A 49 GLN :FLIP amide:sc= -2.05! C(o=-4.4!,f=-2.1!) USER MOD Single : A 52 THR OG1 : rot 64:sc= -0.278 USER MOD Single : A 56 HIS : no HE2:sc= -2.27 K(o=-2.3,f=-12!) USER MOD Single : A 57 GLN :FLIP amide:sc= -1.39 F(o=-2.6!,f=-1.4) USER MOD Single : A 59 MET CE :methyl -154:sc= -0.104 (180deg=-0.636) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -0.254 K(o=-0.25,f=-1.6) USER MOD Single : A 75 SER OG : rot -111:sc= 0.245 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -14.139 -6.070 -10.545 1.00 0.00 N ATOM 2 CA ASN A 1 -13.453 -4.911 -9.909 1.00 0.00 C ATOM 3 C ASN A 1 -12.597 -4.182 -10.955 1.00 0.00 C ATOM 4 O ASN A 1 -11.794 -3.314 -10.614 1.00 0.00 O ATOM 5 CB ASN A 1 -12.585 -5.420 -8.732 1.00 0.00 C ATOM 6 CG ASN A 1 -11.550 -6.435 -9.228 1.00 0.00 C ATOM 7 OD1 ASN A 1 -11.839 -7.226 -10.125 1.00 0.00 O ATOM 8 ND2 ASN A 1 -10.355 -6.451 -8.704 1.00 0.00 N ATOM 0 H1 ASN A 1 -14.745 -6.542 -9.844 1.00 0.00 H new ATOM 0 H2 ASN A 1 -14.723 -5.735 -11.338 1.00 0.00 H new ATOM 0 H3 ASN A 1 -13.429 -6.743 -10.898 1.00 0.00 H new ATOM 0 HA ASN A 1 -14.187 -4.205 -9.520 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -12.080 -4.580 -8.255 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -13.221 -5.880 -7.976 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -9.661 -7.119 -9.038 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -10.115 -5.795 -7.960 1.00 0.00 H new ATOM 17 N THR A 2 -12.775 -4.548 -12.233 1.00 0.00 N ATOM 18 CA THR A 2 -12.018 -3.934 -13.335 1.00 0.00 C ATOM 19 C THR A 2 -12.354 -2.441 -13.454 1.00 0.00 C ATOM 20 O THR A 2 -11.503 -1.633 -13.827 1.00 0.00 O ATOM 21 CB THR A 2 -12.356 -4.659 -14.662 1.00 0.00 C ATOM 22 OG1 THR A 2 -13.737 -4.489 -14.945 1.00 0.00 O ATOM 23 CG2 THR A 2 -12.057 -6.172 -14.545 1.00 0.00 C ATOM 0 H THR A 2 -13.436 -5.266 -12.529 1.00 0.00 H new ATOM 0 HA THR A 2 -10.952 -4.032 -13.128 1.00 0.00 H new ATOM 0 HB THR A 2 -11.746 -4.234 -15.459 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.957 -4.944 -15.785 1.00 0.00 H new ATOM 0 HG21 THR A 2 -12.300 -6.665 -15.486 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.000 -6.318 -14.322 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.659 -6.601 -13.744 1.00 0.00 H new ATOM 31 N VAL A 3 -13.602 -2.081 -13.123 1.00 0.00 N ATOM 32 CA VAL A 3 -14.060 -0.681 -13.181 1.00 0.00 C ATOM 33 C VAL A 3 -13.234 0.199 -12.227 1.00 0.00 C ATOM 34 O VAL A 3 -13.088 1.401 -12.447 1.00 0.00 O ATOM 35 CB VAL A 3 -15.578 -0.615 -12.817 1.00 0.00 C ATOM 36 CG1 VAL A 3 -16.413 -1.394 -13.878 1.00 0.00 C ATOM 37 CG2 VAL A 3 -15.822 -1.240 -11.410 1.00 0.00 C ATOM 0 H VAL A 3 -14.316 -2.740 -12.811 1.00 0.00 H new ATOM 0 HA VAL A 3 -13.919 -0.301 -14.193 1.00 0.00 H new ATOM 0 HB VAL A 3 -15.888 0.430 -12.805 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.470 -1.344 -13.618 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -16.260 -0.948 -14.861 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -16.094 -2.436 -13.899 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -16.883 -1.188 -11.168 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -15.501 -2.282 -11.414 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -15.252 -0.688 -10.663 1.00 0.00 H new ATOM 47 N ASP A 4 -12.702 -0.421 -11.163 1.00 0.00 N ATOM 48 CA ASP A 4 -11.888 0.294 -10.163 1.00 0.00 C ATOM 49 C ASP A 4 -11.090 -0.711 -9.315 1.00 0.00 C ATOM 50 O ASP A 4 -11.574 -1.187 -8.286 1.00 0.00 O ATOM 51 CB ASP A 4 -12.822 1.147 -9.265 1.00 0.00 C ATOM 52 CG ASP A 4 -12.022 2.001 -8.270 1.00 0.00 C ATOM 53 OD1 ASP A 4 -11.496 3.022 -8.686 1.00 0.00 O ATOM 54 OD2 ASP A 4 -11.951 1.625 -7.109 1.00 0.00 O ATOM 0 H ASP A 4 -12.820 -1.416 -10.971 1.00 0.00 H new ATOM 0 HA ASP A 4 -11.179 0.951 -10.667 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -13.437 1.795 -9.890 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -13.501 0.492 -8.720 1.00 0.00 H new ATOM 59 N ASP A 5 -9.860 -1.021 -9.755 1.00 0.00 N ATOM 60 CA ASP A 5 -8.986 -1.965 -9.036 1.00 0.00 C ATOM 61 C ASP A 5 -8.531 -1.335 -7.706 1.00 0.00 C ATOM 62 O ASP A 5 -8.263 -0.135 -7.644 1.00 0.00 O ATOM 63 CB ASP A 5 -7.758 -2.299 -9.922 1.00 0.00 C ATOM 64 CG ASP A 5 -8.200 -2.975 -11.230 1.00 0.00 C ATOM 65 OD1 ASP A 5 -9.127 -3.767 -11.183 1.00 0.00 O ATOM 66 OD2 ASP A 5 -7.599 -2.693 -12.256 1.00 0.00 O ATOM 0 H ASP A 5 -9.448 -0.633 -10.604 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.531 -2.884 -8.820 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.206 -1.386 -10.147 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -7.079 -2.956 -9.379 1.00 0.00 H new ATOM 71 N ILE A 6 -8.434 -2.151 -6.643 1.00 0.00 N ATOM 72 CA ILE A 6 -8.009 -1.663 -5.321 1.00 0.00 C ATOM 73 C ILE A 6 -6.553 -1.173 -5.372 1.00 0.00 C ATOM 74 O ILE A 6 -6.114 -0.385 -4.527 1.00 0.00 O ATOM 75 CB ILE A 6 -8.191 -2.819 -4.285 1.00 0.00 C ATOM 76 CG1 ILE A 6 -7.382 -4.084 -4.745 1.00 0.00 C ATOM 77 CG2 ILE A 6 -9.708 -3.177 -4.170 1.00 0.00 C ATOM 78 CD1 ILE A 6 -7.392 -5.176 -3.659 1.00 0.00 C ATOM 0 H ILE A 6 -8.644 -3.149 -6.673 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.621 -0.813 -5.018 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.818 -2.494 -3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.812 -4.479 -5.666 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.354 -3.800 -4.969 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.838 -3.983 -3.448 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.265 -2.300 -3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.081 -3.498 -5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.824 -6.039 -4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.939 -4.786 -2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.420 -5.476 -3.454 1.00 0.00 H new ATOM 90 N SER A 7 -5.814 -1.660 -6.377 1.00 0.00 N ATOM 91 CA SER A 7 -4.404 -1.299 -6.564 1.00 0.00 C ATOM 92 C SER A 7 -4.252 0.194 -6.873 1.00 0.00 C ATOM 93 O SER A 7 -3.132 0.689 -7.010 1.00 0.00 O ATOM 94 CB SER A 7 -3.809 -2.127 -7.720 1.00 0.00 C ATOM 95 OG SER A 7 -4.386 -1.702 -8.947 1.00 0.00 O ATOM 0 H SER A 7 -6.173 -2.309 -7.077 1.00 0.00 H new ATOM 0 HA SER A 7 -3.870 -1.514 -5.638 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.727 -2.003 -7.752 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.004 -3.188 -7.561 1.00 0.00 H new ATOM 0 HG SER A 7 -4.009 -2.225 -9.685 1.00 0.00 H new ATOM 101 N GLU A 8 -5.383 0.921 -6.950 1.00 0.00 N ATOM 102 CA GLU A 8 -5.363 2.369 -7.214 1.00 0.00 C ATOM 103 C GLU A 8 -4.770 3.116 -6.007 1.00 0.00 C ATOM 104 O GLU A 8 -4.026 4.085 -6.174 1.00 0.00 O ATOM 105 CB GLU A 8 -6.813 2.851 -7.504 1.00 0.00 C ATOM 106 CG GLU A 8 -6.832 4.335 -7.976 1.00 0.00 C ATOM 107 CD GLU A 8 -8.264 4.813 -8.267 1.00 0.00 C ATOM 108 OE1 GLU A 8 -9.146 3.975 -8.404 1.00 0.00 O ATOM 109 OE2 GLU A 8 -8.455 6.014 -8.346 1.00 0.00 O ATOM 0 H GLU A 8 -6.318 0.529 -6.833 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.738 2.579 -8.082 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.263 2.218 -8.269 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.420 2.745 -6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.384 4.968 -7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.222 4.441 -8.873 1.00 0.00 H new ATOM 116 N SER A 9 -5.113 2.657 -4.786 1.00 0.00 N ATOM 117 CA SER A 9 -4.616 3.286 -3.542 1.00 0.00 C ATOM 118 C SER A 9 -3.091 3.199 -3.471 1.00 0.00 C ATOM 119 O SER A 9 -2.411 4.194 -3.211 1.00 0.00 O ATOM 120 CB SER A 9 -5.223 2.569 -2.325 1.00 0.00 C ATOM 121 OG SER A 9 -4.791 1.217 -2.337 1.00 0.00 O ATOM 0 H SER A 9 -5.728 1.858 -4.634 1.00 0.00 H new ATOM 0 HA SER A 9 -4.911 4.335 -3.539 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.911 3.058 -1.402 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.311 2.619 -2.360 1.00 0.00 H new ATOM 0 HG SER A 9 -5.233 0.739 -3.070 1.00 0.00 H new ATOM 127 N LEU A 10 -2.557 1.993 -3.708 1.00 0.00 N ATOM 128 CA LEU A 10 -1.109 1.769 -3.672 1.00 0.00 C ATOM 129 C LEU A 10 -0.383 2.670 -4.696 1.00 0.00 C ATOM 130 O LEU A 10 0.647 3.262 -4.381 1.00 0.00 O ATOM 131 CB LEU A 10 -0.829 0.286 -4.038 1.00 0.00 C ATOM 132 CG LEU A 10 -1.649 -0.700 -3.138 1.00 0.00 C ATOM 133 CD1 LEU A 10 -1.405 -2.158 -3.606 1.00 0.00 C ATOM 134 CD2 LEU A 10 -1.248 -0.571 -1.645 1.00 0.00 C ATOM 0 H LEU A 10 -3.106 1.161 -3.926 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.743 2.006 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.080 0.116 -5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.235 0.079 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.704 -0.444 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.976 -2.842 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.723 -2.265 -4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.344 -2.393 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.836 -1.269 -1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.188 -0.800 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.438 0.447 -1.304 1.00 0.00 H new ATOM 146 N ARG A 11 -0.941 2.767 -5.921 1.00 0.00 N ATOM 147 CA ARG A 11 -0.340 3.594 -6.983 1.00 0.00 C ATOM 148 C ARG A 11 -0.365 5.072 -6.582 1.00 0.00 C ATOM 149 O ARG A 11 0.668 5.737 -6.595 1.00 0.00 O ATOM 150 CB ARG A 11 -1.136 3.397 -8.307 1.00 0.00 C ATOM 151 CG ARG A 11 -0.471 4.169 -9.492 1.00 0.00 C ATOM 152 CD ARG A 11 -1.268 3.951 -10.798 1.00 0.00 C ATOM 153 NE ARG A 11 -1.255 2.527 -11.151 1.00 0.00 N ATOM 154 CZ ARG A 11 -1.880 2.047 -12.238 1.00 0.00 C ATOM 155 NH1 ARG A 11 -2.527 2.847 -13.051 1.00 0.00 N ATOM 156 NH2 ARG A 11 -1.836 0.770 -12.486 1.00 0.00 N ATOM 0 H ARG A 11 -1.798 2.287 -6.195 1.00 0.00 H new ATOM 0 HA ARG A 11 0.696 3.287 -7.129 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.189 2.335 -8.547 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.160 3.745 -8.173 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.426 5.233 -9.260 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.556 3.828 -9.625 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.294 4.295 -10.671 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.832 4.540 -11.605 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.752 1.877 -10.547 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.560 3.849 -12.861 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.997 2.468 -13.873 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.331 0.146 -11.858 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.307 0.394 -13.309 1.00 0.00 H new ATOM 170 N GLN A 12 -1.569 5.557 -6.242 1.00 0.00 N ATOM 171 CA GLN A 12 -1.795 6.958 -5.849 1.00 0.00 C ATOM 172 C GLN A 12 -1.267 7.931 -6.932 1.00 0.00 C ATOM 173 O GLN A 12 -2.042 8.499 -7.701 1.00 0.00 O ATOM 174 CB GLN A 12 -1.135 7.238 -4.469 1.00 0.00 C ATOM 175 CG GLN A 12 -1.609 8.601 -3.865 1.00 0.00 C ATOM 176 CD GLN A 12 -3.091 8.549 -3.456 1.00 0.00 C ATOM 177 OE1 GLN A 12 -3.549 7.544 -2.908 1.00 0.00 O ATOM 178 NE2 GLN A 12 -3.865 9.579 -3.687 1.00 0.00 N ATOM 0 H GLN A 12 -2.416 4.988 -6.232 1.00 0.00 H new ATOM 0 HA GLN A 12 -2.868 7.125 -5.757 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.379 6.430 -3.779 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.051 7.247 -4.580 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.999 8.847 -2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.459 9.396 -4.596 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.486 10.410 -4.140 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.847 9.550 -3.414 1.00 0.00 H new ATOM 187 N GLY A 13 0.062 8.094 -6.982 1.00 0.00 N ATOM 188 CA GLY A 13 0.719 8.967 -7.962 1.00 0.00 C ATOM 189 C GLY A 13 0.525 10.428 -7.599 1.00 0.00 C ATOM 190 O GLY A 13 0.734 11.320 -8.423 1.00 0.00 O ATOM 0 H GLY A 13 0.709 7.626 -6.347 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.784 8.737 -8.005 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.312 8.777 -8.955 1.00 0.00 H new ATOM 194 N GLY A 14 0.124 10.660 -6.347 1.00 0.00 N ATOM 195 CA GLY A 14 -0.107 12.009 -5.822 1.00 0.00 C ATOM 196 C GLY A 14 1.212 12.687 -5.471 1.00 0.00 C ATOM 197 O GLY A 14 1.262 13.904 -5.291 1.00 0.00 O ATOM 0 H GLY A 14 -0.050 9.919 -5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.642 12.605 -6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.741 11.956 -4.937 1.00 0.00 H new ATOM 201 N GLY A 15 2.288 11.889 -5.370 1.00 0.00 N ATOM 202 CA GLY A 15 3.632 12.400 -5.033 1.00 0.00 C ATOM 203 C GLY A 15 3.902 12.281 -3.541 1.00 0.00 C ATOM 204 O GLY A 15 5.052 12.136 -3.126 1.00 0.00 O ATOM 0 H GLY A 15 2.255 10.880 -5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.387 11.843 -5.588 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.716 13.443 -5.339 1.00 0.00 H new ATOM 208 N LYS A 16 2.827 12.328 -2.737 1.00 0.00 N ATOM 209 CA LYS A 16 2.913 12.212 -1.262 1.00 0.00 C ATOM 210 C LYS A 16 2.119 10.994 -0.807 1.00 0.00 C ATOM 211 O LYS A 16 0.929 10.884 -1.110 1.00 0.00 O ATOM 212 CB LYS A 16 2.331 13.504 -0.612 1.00 0.00 C ATOM 213 CG LYS A 16 3.185 14.759 -0.968 1.00 0.00 C ATOM 214 CD LYS A 16 4.544 14.756 -0.204 1.00 0.00 C ATOM 215 CE LYS A 16 5.383 15.983 -0.612 1.00 0.00 C ATOM 216 NZ LYS A 16 4.623 17.232 -0.315 1.00 0.00 N ATOM 0 H LYS A 16 1.875 12.447 -3.084 1.00 0.00 H new ATOM 0 HA LYS A 16 3.953 12.095 -0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.306 13.653 -0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.295 13.383 0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.369 14.783 -2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.628 15.663 -0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.366 14.769 0.871 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.093 13.841 -0.425 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.330 15.984 -0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.622 15.935 -1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.274 18.043 -0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.893 17.375 -1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.171 17.150 0.618 1.00 0.00 H new ATOM 230 N LEU A 17 2.794 10.061 -0.098 1.00 0.00 N ATOM 231 CA LEU A 17 2.162 8.826 0.382 1.00 0.00 C ATOM 232 C LEU A 17 2.527 8.620 1.852 1.00 0.00 C ATOM 233 O LEU A 17 3.649 8.271 2.181 1.00 0.00 O ATOM 234 CB LEU A 17 2.681 7.622 -0.503 1.00 0.00 C ATOM 235 CG LEU A 17 1.578 7.081 -1.495 1.00 0.00 C ATOM 236 CD1 LEU A 17 2.234 6.277 -2.654 1.00 0.00 C ATOM 237 CD2 LEU A 17 0.575 6.162 -0.722 1.00 0.00 C ATOM 0 H LEU A 17 3.779 10.147 0.151 1.00 0.00 H new ATOM 0 HA LEU A 17 1.077 8.885 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.552 7.944 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.008 6.811 0.148 1.00 0.00 H new ATOM 0 HG LEU A 17 1.043 7.932 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.459 5.912 -3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.918 6.924 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.786 5.431 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.184 5.791 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.114 5.320 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.096 6.734 0.072 1.00 0.00 H new ATOM 249 N ASN A 18 1.527 8.787 2.707 1.00 0.00 N ATOM 250 CA ASN A 18 1.643 8.619 4.156 1.00 0.00 C ATOM 251 C ASN A 18 0.588 7.614 4.584 1.00 0.00 C ATOM 252 O ASN A 18 -0.555 7.704 4.153 1.00 0.00 O ATOM 253 CB ASN A 18 1.410 10.004 4.866 1.00 0.00 C ATOM 254 CG ASN A 18 0.296 10.798 4.160 1.00 0.00 C ATOM 255 OD1 ASN A 18 0.384 11.048 2.959 1.00 0.00 O ATOM 256 ND2 ASN A 18 -0.743 11.215 4.826 1.00 0.00 N ATOM 0 H ASN A 18 0.588 9.050 2.408 1.00 0.00 H new ATOM 0 HA ASN A 18 2.635 8.261 4.433 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.142 9.842 5.910 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.335 10.581 4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.475 11.744 4.351 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.825 11.013 5.822 1.00 0.00 H new ATOM 263 N PHE A 19 1.004 6.637 5.393 1.00 0.00 N ATOM 264 CA PHE A 19 0.150 5.556 5.908 1.00 0.00 C ATOM 265 C PHE A 19 -1.319 5.972 6.117 1.00 0.00 C ATOM 266 O PHE A 19 -2.232 5.154 6.011 1.00 0.00 O ATOM 267 CB PHE A 19 0.763 5.085 7.240 1.00 0.00 C ATOM 268 CG PHE A 19 0.848 6.263 8.226 1.00 0.00 C ATOM 269 CD1 PHE A 19 1.890 7.211 8.103 1.00 0.00 C ATOM 270 CD2 PHE A 19 -0.099 6.406 9.263 1.00 0.00 C ATOM 271 CE1 PHE A 19 1.984 8.274 9.005 1.00 0.00 C ATOM 272 CE2 PHE A 19 0.001 7.475 10.159 1.00 0.00 C ATOM 273 CZ PHE A 19 1.042 8.406 10.032 1.00 0.00 C ATOM 0 H PHE A 19 1.968 6.571 5.718 1.00 0.00 H new ATOM 0 HA PHE A 19 0.121 4.758 5.166 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.156 4.286 7.667 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.757 4.673 7.067 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.616 7.113 7.309 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.901 5.690 9.364 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.783 8.994 8.910 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.725 7.584 10.951 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.117 9.228 10.729 1.00 0.00 H new ATOM 283 N ASP A 20 -1.516 7.253 6.420 1.00 0.00 N ATOM 284 CA ASP A 20 -2.856 7.805 6.656 1.00 0.00 C ATOM 285 C ASP A 20 -3.608 7.880 5.340 1.00 0.00 C ATOM 286 O ASP A 20 -4.766 7.513 5.247 1.00 0.00 O ATOM 287 CB ASP A 20 -2.685 9.227 7.258 1.00 0.00 C ATOM 288 CG ASP A 20 -2.107 9.165 8.682 1.00 0.00 C ATOM 289 OD1 ASP A 20 -2.622 8.392 9.474 1.00 0.00 O ATOM 290 OD2 ASP A 20 -1.167 9.897 8.962 1.00 0.00 O ATOM 0 H ASP A 20 -0.763 7.935 6.509 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.421 7.174 7.342 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.026 9.817 6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.649 9.735 7.276 1.00 0.00 H new ATOM 295 N GLU A 21 -2.930 8.375 4.314 1.00 0.00 N ATOM 296 CA GLU A 21 -3.544 8.531 3.001 1.00 0.00 C ATOM 297 C GLU A 21 -4.033 7.136 2.538 1.00 0.00 C ATOM 298 O GLU A 21 -5.086 7.016 1.924 1.00 0.00 O ATOM 299 CB GLU A 21 -2.493 9.238 2.025 1.00 0.00 C ATOM 300 CG GLU A 21 -2.069 8.329 0.857 1.00 0.00 C ATOM 301 CD GLU A 21 -3.246 8.063 -0.117 1.00 0.00 C ATOM 302 OE1 GLU A 21 -3.886 9.023 -0.518 1.00 0.00 O ATOM 303 OE2 GLU A 21 -3.508 6.914 -0.415 1.00 0.00 O ATOM 0 H GLU A 21 -1.956 8.675 4.364 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.420 9.180 3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.930 10.154 1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.610 9.527 2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.245 8.793 0.315 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.699 7.381 1.249 1.00 0.00 H new ATOM 310 N LEU A 22 -3.253 6.099 2.867 1.00 0.00 N ATOM 311 CA LEU A 22 -3.637 4.717 2.502 1.00 0.00 C ATOM 312 C LEU A 22 -4.758 4.232 3.364 1.00 0.00 C ATOM 313 O LEU A 22 -5.740 3.678 2.886 1.00 0.00 O ATOM 314 CB LEU A 22 -2.419 3.763 2.719 1.00 0.00 C ATOM 315 CG LEU A 22 -1.263 4.160 1.771 1.00 0.00 C ATOM 316 CD1 LEU A 22 0.002 3.315 2.056 1.00 0.00 C ATOM 317 CD2 LEU A 22 -1.696 4.005 0.261 1.00 0.00 C ATOM 0 H LEU A 22 -2.371 6.179 3.373 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.951 4.718 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.085 3.815 3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.716 2.731 2.532 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.025 5.207 1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.800 3.614 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.323 3.476 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.225 2.259 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.867 4.290 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.969 2.968 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.551 4.650 0.060 1.00 0.00 H new ATOM 329 N ARG A 23 -4.595 4.423 4.652 1.00 0.00 N ATOM 330 CA ARG A 23 -5.604 3.942 5.590 1.00 0.00 C ATOM 331 C ARG A 23 -6.966 4.609 5.335 1.00 0.00 C ATOM 332 O ARG A 23 -7.996 3.940 5.246 1.00 0.00 O ATOM 333 CB ARG A 23 -5.129 4.187 7.032 1.00 0.00 C ATOM 334 CG ARG A 23 -6.074 3.443 8.077 1.00 0.00 C ATOM 335 CD ARG A 23 -6.239 4.279 9.348 1.00 0.00 C ATOM 336 NE ARG A 23 -4.935 4.394 10.003 1.00 0.00 N ATOM 337 CZ ARG A 23 -4.754 5.055 11.146 1.00 0.00 C ATOM 338 NH1 ARG A 23 -5.762 5.609 11.771 1.00 0.00 N ATOM 339 NH2 ARG A 23 -3.557 5.133 11.646 1.00 0.00 N ATOM 0 H ARG A 23 -3.796 4.895 5.075 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.737 2.871 5.440 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.104 3.833 7.146 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.122 5.257 7.240 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.050 3.260 7.627 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.652 2.470 8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.628 5.267 9.103 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.959 3.810 10.018 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.129 3.948 9.565 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.703 5.538 11.384 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.606 6.111 12.645 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.773 4.692 11.164 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.401 5.635 12.520 1.00 0.00 H new ATOM 353 N GLN A 24 -6.959 5.930 5.276 1.00 0.00 N ATOM 354 CA GLN A 24 -8.184 6.720 5.094 1.00 0.00 C ATOM 355 C GLN A 24 -8.879 6.427 3.779 1.00 0.00 C ATOM 356 O GLN A 24 -10.111 6.341 3.732 1.00 0.00 O ATOM 357 CB GLN A 24 -7.808 8.214 5.146 1.00 0.00 C ATOM 358 CG GLN A 24 -7.281 8.558 6.555 1.00 0.00 C ATOM 359 CD GLN A 24 -6.872 10.030 6.619 1.00 0.00 C ATOM 360 OE1 GLN A 24 -5.913 10.442 5.965 1.00 0.00 O ATOM 361 NE2 GLN A 24 -7.566 10.849 7.350 1.00 0.00 N ATOM 0 H GLN A 24 -6.111 6.492 5.352 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.879 6.453 5.890 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.048 8.436 4.397 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.677 8.828 4.910 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.051 8.354 7.299 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.428 7.925 6.797 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.359 10.503 7.890 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.318 11.838 7.384 1.00 0.00 H new ATOM 370 N ASP A 25 -8.100 6.201 2.729 1.00 0.00 N ATOM 371 CA ASP A 25 -8.638 5.834 1.427 1.00 0.00 C ATOM 372 C ASP A 25 -9.170 4.395 1.455 1.00 0.00 C ATOM 373 O ASP A 25 -10.269 4.116 0.979 1.00 0.00 O ATOM 374 CB ASP A 25 -7.503 5.968 0.381 1.00 0.00 C ATOM 375 CG ASP A 25 -7.130 7.444 0.140 1.00 0.00 C ATOM 376 OD1 ASP A 25 -7.169 8.210 1.090 1.00 0.00 O ATOM 377 OD2 ASP A 25 -6.797 7.776 -0.988 1.00 0.00 O ATOM 0 H ASP A 25 -7.082 6.267 2.756 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.467 6.492 1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.625 5.421 0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.817 5.513 -0.558 1.00 0.00 H new ATOM 382 N LEU A 26 -8.330 3.479 1.984 1.00 0.00 N ATOM 383 CA LEU A 26 -8.666 2.025 2.022 1.00 0.00 C ATOM 384 C LEU A 26 -9.922 1.746 2.844 1.00 0.00 C ATOM 385 O LEU A 26 -10.675 0.821 2.534 1.00 0.00 O ATOM 386 CB LEU A 26 -7.486 1.150 2.540 1.00 0.00 C ATOM 387 CG LEU A 26 -6.232 1.154 1.564 1.00 0.00 C ATOM 388 CD1 LEU A 26 -4.935 0.756 2.338 1.00 0.00 C ATOM 389 CD2 LEU A 26 -6.432 0.146 0.382 1.00 0.00 C ATOM 0 H LEU A 26 -7.422 3.709 2.388 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.862 1.744 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.177 1.511 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.832 0.125 2.673 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.135 2.164 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.086 0.764 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.759 1.469 3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.054 -0.243 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.558 0.171 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.560 -0.861 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.318 0.426 -0.189 1.00 0.00 H new ATOM 401 N LYS A 27 -10.154 2.555 3.880 1.00 0.00 N ATOM 402 CA LYS A 27 -11.350 2.384 4.718 1.00 0.00 C ATOM 403 C LYS A 27 -12.635 2.412 3.843 1.00 0.00 C ATOM 404 O LYS A 27 -13.535 1.586 4.004 1.00 0.00 O ATOM 405 CB LYS A 27 -11.371 3.524 5.759 1.00 0.00 C ATOM 406 CG LYS A 27 -12.376 3.230 6.913 1.00 0.00 C ATOM 407 CD LYS A 27 -12.539 4.472 7.837 1.00 0.00 C ATOM 408 CE LYS A 27 -11.176 4.947 8.427 1.00 0.00 C ATOM 409 NZ LYS A 27 -11.451 5.817 9.601 1.00 0.00 N ATOM 0 H LYS A 27 -9.543 3.323 4.158 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.321 1.419 5.225 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.371 3.658 6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.642 4.459 5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.344 2.953 6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.026 2.380 7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.993 5.286 7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.222 4.230 8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.572 4.090 8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.607 5.493 7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.552 6.144 10.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.014 6.638 9.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.980 5.278 10.316 1.00 0.00 H new ATOM 423 N GLY A 28 -12.679 3.372 2.913 1.00 0.00 N ATOM 424 CA GLY A 28 -13.823 3.535 2.002 1.00 0.00 C ATOM 425 C GLY A 28 -14.018 2.319 1.091 1.00 0.00 C ATOM 426 O GLY A 28 -15.146 1.989 0.720 1.00 0.00 O ATOM 0 H GLY A 28 -11.933 4.052 2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.729 3.698 2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.674 4.425 1.390 1.00 0.00 H new ATOM 430 N LYS A 29 -12.911 1.673 0.709 1.00 0.00 N ATOM 431 CA LYS A 29 -12.937 0.504 -0.193 1.00 0.00 C ATOM 432 C LYS A 29 -13.532 -0.733 0.504 1.00 0.00 C ATOM 433 O LYS A 29 -13.608 -1.811 -0.087 1.00 0.00 O ATOM 434 CB LYS A 29 -11.485 0.192 -0.661 1.00 0.00 C ATOM 435 CG LYS A 29 -10.758 1.449 -1.237 1.00 0.00 C ATOM 436 CD LYS A 29 -11.420 1.929 -2.557 1.00 0.00 C ATOM 437 CE LYS A 29 -10.666 3.131 -3.154 1.00 0.00 C ATOM 438 NZ LYS A 29 -11.358 3.524 -4.413 1.00 0.00 N ATOM 0 H LYS A 29 -11.974 1.940 1.011 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.569 0.742 -1.049 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.913 -0.201 0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.512 -0.588 -1.422 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.782 2.254 -0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.709 1.214 -1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.435 1.111 -3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.457 2.205 -2.367 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.654 3.962 -2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.627 2.869 -3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.839 4.303 -4.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.392 2.710 -5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.327 3.834 -4.195 1.00 0.00 H new ATOM 452 N GLY A 30 -13.999 -0.543 1.732 1.00 0.00 N ATOM 453 CA GLY A 30 -14.651 -1.613 2.501 1.00 0.00 C ATOM 454 C GLY A 30 -13.659 -2.676 2.937 1.00 0.00 C ATOM 455 O GLY A 30 -14.058 -3.793 3.274 1.00 0.00 O ATOM 0 H GLY A 30 -13.941 0.348 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.136 -1.186 3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.433 -2.071 1.896 1.00 0.00 H new ATOM 459 N HIS A 31 -12.361 -2.339 2.949 1.00 0.00 N ATOM 460 CA HIS A 31 -11.312 -3.285 3.363 1.00 0.00 C ATOM 461 C HIS A 31 -11.391 -3.504 4.865 1.00 0.00 C ATOM 462 O HIS A 31 -12.032 -2.740 5.585 1.00 0.00 O ATOM 463 CB HIS A 31 -9.918 -2.759 2.936 1.00 0.00 C ATOM 464 CG HIS A 31 -9.787 -2.826 1.432 1.00 0.00 C ATOM 465 ND1 HIS A 31 -10.895 -2.801 0.607 1.00 0.00 N ATOM 466 CD2 HIS A 31 -8.705 -3.003 0.603 1.00 0.00 C ATOM 467 CE1 HIS A 31 -10.471 -2.965 -0.649 1.00 0.00 C ATOM 468 NE2 HIS A 31 -9.142 -3.091 -0.716 1.00 0.00 N ATOM 0 H HIS A 31 -12.012 -1.420 2.677 1.00 0.00 H new ATOM 0 HA HIS A 31 -11.466 -4.244 2.869 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.786 -1.732 3.277 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.135 -3.354 3.406 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.676 -3.064 0.925 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.124 -2.993 -1.508 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -8.572 -3.223 -1.552 1.00 0.00 H new ATOM 476 N THR A 32 -10.761 -4.592 5.322 1.00 0.00 N ATOM 477 CA THR A 32 -10.780 -4.978 6.740 1.00 0.00 C ATOM 478 C THR A 32 -9.606 -4.355 7.463 1.00 0.00 C ATOM 479 O THR A 32 -8.640 -3.940 6.837 1.00 0.00 O ATOM 480 CB THR A 32 -10.735 -6.518 6.847 1.00 0.00 C ATOM 481 OG1 THR A 32 -9.509 -6.980 6.311 1.00 0.00 O ATOM 482 CG2 THR A 32 -11.904 -7.146 6.048 1.00 0.00 C ATOM 0 H THR A 32 -10.228 -5.226 4.727 1.00 0.00 H new ATOM 0 HA THR A 32 -11.696 -4.617 7.208 1.00 0.00 H new ATOM 0 HB THR A 32 -10.824 -6.806 7.894 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.471 -7.957 6.376 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.860 -8.232 6.132 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.852 -6.789 6.450 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.823 -6.860 4.999 1.00 0.00 H new ATOM 490 N ASP A 33 -9.676 -4.314 8.795 1.00 0.00 N ATOM 491 CA ASP A 33 -8.597 -3.735 9.597 1.00 0.00 C ATOM 492 C ASP A 33 -7.287 -4.482 9.345 1.00 0.00 C ATOM 493 O ASP A 33 -6.241 -3.853 9.199 1.00 0.00 O ATOM 494 CB ASP A 33 -8.983 -3.782 11.092 1.00 0.00 C ATOM 495 CG ASP A 33 -10.300 -3.028 11.324 1.00 0.00 C ATOM 496 OD1 ASP A 33 -10.497 -2.004 10.685 1.00 0.00 O ATOM 497 OD2 ASP A 33 -11.090 -3.482 12.137 1.00 0.00 O ATOM 0 H ASP A 33 -10.462 -4.672 9.338 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.449 -2.695 9.307 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.087 -4.818 11.416 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.190 -3.338 11.694 1.00 0.00 H new ATOM 502 N ALA A 34 -7.354 -5.829 9.312 1.00 0.00 N ATOM 503 CA ALA A 34 -6.155 -6.648 9.080 1.00 0.00 C ATOM 504 C ALA A 34 -5.516 -6.290 7.727 1.00 0.00 C ATOM 505 O ALA A 34 -4.295 -6.170 7.629 1.00 0.00 O ATOM 506 CB ALA A 34 -6.539 -8.139 9.124 1.00 0.00 C ATOM 0 H ALA A 34 -8.214 -6.363 9.441 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.423 -6.447 9.862 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.652 -8.748 8.952 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.960 -8.378 10.101 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.278 -8.347 8.350 1.00 0.00 H new ATOM 512 N GLU A 35 -6.317 -6.204 6.654 1.00 0.00 N ATOM 513 CA GLU A 35 -5.774 -5.915 5.312 1.00 0.00 C ATOM 514 C GLU A 35 -5.265 -4.473 5.223 1.00 0.00 C ATOM 515 O GLU A 35 -4.204 -4.215 4.646 1.00 0.00 O ATOM 516 CB GLU A 35 -6.905 -6.142 4.264 1.00 0.00 C ATOM 517 CG GLU A 35 -7.312 -7.648 4.170 1.00 0.00 C ATOM 518 CD GLU A 35 -6.179 -8.499 3.573 1.00 0.00 C ATOM 519 OE1 GLU A 35 -5.713 -8.156 2.498 1.00 0.00 O ATOM 520 OE2 GLU A 35 -5.795 -9.478 4.197 1.00 0.00 O ATOM 0 H GLU A 35 -7.329 -6.328 6.684 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.932 -6.579 5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.777 -5.546 4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.571 -5.794 3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.565 -8.021 5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.206 -7.747 3.555 1.00 0.00 H new ATOM 527 N ILE A 36 -6.029 -3.540 5.802 1.00 0.00 N ATOM 528 CA ILE A 36 -5.654 -2.120 5.763 1.00 0.00 C ATOM 529 C ILE A 36 -4.277 -1.892 6.427 1.00 0.00 C ATOM 530 O ILE A 36 -3.400 -1.215 5.860 1.00 0.00 O ATOM 531 CB ILE A 36 -6.760 -1.291 6.523 1.00 0.00 C ATOM 532 CG1 ILE A 36 -8.082 -1.238 5.673 1.00 0.00 C ATOM 533 CG2 ILE A 36 -6.269 0.171 6.835 1.00 0.00 C ATOM 534 CD1 ILE A 36 -9.279 -0.795 6.527 1.00 0.00 C ATOM 0 H ILE A 36 -6.899 -3.737 6.297 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.581 -1.795 4.725 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.958 -1.793 7.470 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.953 -0.548 4.839 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.282 -2.221 5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.055 0.715 7.359 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.377 0.130 7.461 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.034 0.683 5.902 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.177 -0.769 5.909 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.422 -1.500 7.346 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.089 0.199 6.933 1.00 0.00 H new ATOM 546 N GLU A 37 -4.118 -2.423 7.653 1.00 0.00 N ATOM 547 CA GLU A 37 -2.897 -2.236 8.420 1.00 0.00 C ATOM 548 C GLU A 37 -1.701 -2.870 7.730 1.00 0.00 C ATOM 549 O GLU A 37 -0.621 -2.297 7.694 1.00 0.00 O ATOM 550 CB GLU A 37 -3.048 -2.777 9.869 1.00 0.00 C ATOM 551 CG GLU A 37 -3.178 -4.320 9.929 1.00 0.00 C ATOM 552 CD GLU A 37 -3.540 -4.797 11.343 1.00 0.00 C ATOM 553 OE1 GLU A 37 -4.683 -4.620 11.728 1.00 0.00 O ATOM 554 OE2 GLU A 37 -2.672 -5.333 12.014 1.00 0.00 O ATOM 0 H GLU A 37 -4.827 -2.984 8.125 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.717 -1.163 8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.185 -2.468 10.458 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.927 -2.326 10.330 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.942 -4.650 9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.239 -4.778 9.618 1.00 0.00 H new ATOM 561 N ALA A 38 -1.905 -4.069 7.195 1.00 0.00 N ATOM 562 CA ALA A 38 -0.846 -4.811 6.532 1.00 0.00 C ATOM 563 C ALA A 38 -0.313 -4.076 5.295 1.00 0.00 C ATOM 564 O ALA A 38 0.894 -4.067 5.059 1.00 0.00 O ATOM 565 CB ALA A 38 -1.442 -6.176 6.118 1.00 0.00 C ATOM 0 H ALA A 38 -2.805 -4.549 7.210 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.002 -4.928 7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.678 -6.769 5.614 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.787 -6.707 7.005 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.282 -6.016 5.442 1.00 0.00 H new ATOM 571 N ILE A 39 -1.226 -3.563 4.457 1.00 0.00 N ATOM 572 CA ILE A 39 -0.791 -2.953 3.162 1.00 0.00 C ATOM 573 C ILE A 39 0.142 -1.763 3.398 1.00 0.00 C ATOM 574 O ILE A 39 1.168 -1.637 2.731 1.00 0.00 O ATOM 575 CB ILE A 39 -2.081 -2.451 2.328 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.510 -3.485 1.209 1.00 0.00 C ATOM 577 CG2 ILE A 39 -1.833 -1.061 1.627 1.00 0.00 C ATOM 578 CD1 ILE A 39 -3.066 -4.779 1.833 1.00 0.00 C ATOM 0 H ILE A 39 -2.231 -3.550 4.628 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.254 -3.715 2.598 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.877 -2.356 3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.265 -3.035 0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.652 -3.721 0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.728 -0.765 1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.604 -0.309 2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.995 -1.147 0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.353 -5.471 1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.301 -5.240 2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.939 -4.543 2.442 1.00 0.00 H new ATOM 590 N PHE A 40 -0.232 -0.878 4.308 1.00 0.00 N ATOM 591 CA PHE A 40 0.583 0.310 4.577 1.00 0.00 C ATOM 592 C PHE A 40 1.913 -0.093 5.209 1.00 0.00 C ATOM 593 O PHE A 40 2.946 0.520 4.974 1.00 0.00 O ATOM 594 CB PHE A 40 -0.223 1.348 5.435 1.00 0.00 C ATOM 595 CG PHE A 40 0.133 1.224 6.924 1.00 0.00 C ATOM 596 CD1 PHE A 40 1.307 1.820 7.406 1.00 0.00 C ATOM 597 CD2 PHE A 40 -0.674 0.501 7.787 1.00 0.00 C ATOM 598 CE1 PHE A 40 1.667 1.691 8.739 1.00 0.00 C ATOM 599 CE2 PHE A 40 -0.325 0.361 9.135 1.00 0.00 C ATOM 600 CZ PHE A 40 0.853 0.959 9.614 1.00 0.00 C ATOM 0 H PHE A 40 -1.081 -0.951 4.869 1.00 0.00 H new ATOM 0 HA PHE A 40 0.823 0.809 3.638 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.006 2.358 5.088 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.292 1.186 5.298 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.936 2.384 6.734 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.579 0.042 7.417 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.573 2.154 9.102 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.958 -0.204 9.804 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.130 0.855 10.653 1.00 0.00 H new ATOM 610 N THR A 41 1.818 -1.079 6.106 1.00 0.00 N ATOM 611 CA THR A 41 2.951 -1.538 6.890 1.00 0.00 C ATOM 612 C THR A 41 4.055 -2.089 6.006 1.00 0.00 C ATOM 613 O THR A 41 5.235 -1.765 6.200 1.00 0.00 O ATOM 614 CB THR A 41 2.409 -2.598 7.870 1.00 0.00 C ATOM 615 OG1 THR A 41 1.551 -1.954 8.798 1.00 0.00 O ATOM 616 CG2 THR A 41 3.516 -3.315 8.651 1.00 0.00 C ATOM 0 H THR A 41 0.950 -1.577 6.304 1.00 0.00 H new ATOM 0 HA THR A 41 3.406 -0.712 7.437 1.00 0.00 H new ATOM 0 HB THR A 41 1.885 -3.350 7.280 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.809 -1.530 8.318 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.071 -4.048 9.323 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.184 -3.821 7.954 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.082 -2.587 9.232 1.00 0.00 H new ATOM 624 N LYS A 42 3.674 -2.928 5.042 1.00 0.00 N ATOM 625 CA LYS A 42 4.649 -3.525 4.135 1.00 0.00 C ATOM 626 C LYS A 42 5.266 -2.439 3.251 1.00 0.00 C ATOM 627 O LYS A 42 6.489 -2.397 3.087 1.00 0.00 O ATOM 628 CB LYS A 42 3.895 -4.573 3.275 1.00 0.00 C ATOM 629 CG LYS A 42 3.504 -5.814 4.130 1.00 0.00 C ATOM 630 CD LYS A 42 2.708 -6.837 3.268 1.00 0.00 C ATOM 631 CE LYS A 42 2.305 -8.055 4.128 1.00 0.00 C ATOM 632 NZ LYS A 42 3.529 -8.663 4.719 1.00 0.00 N ATOM 0 H LYS A 42 2.708 -3.206 4.872 1.00 0.00 H new ATOM 0 HA LYS A 42 5.459 -4.003 4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.999 -4.123 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.523 -4.884 2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.402 -6.286 4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.902 -5.501 4.983 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.818 -6.362 2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.315 -7.163 2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.620 -7.747 4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.779 -8.788 3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.327 -9.642 5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.294 -8.659 4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.822 -8.113 5.552 1.00 0.00 H new ATOM 646 N TYR A 43 4.414 -1.595 2.636 1.00 0.00 N ATOM 647 CA TYR A 43 4.932 -0.560 1.729 1.00 0.00 C ATOM 648 C TYR A 43 5.645 0.533 2.520 1.00 0.00 C ATOM 649 O TYR A 43 6.620 1.076 2.034 1.00 0.00 O ATOM 650 CB TYR A 43 3.775 0.065 0.889 1.00 0.00 C ATOM 651 CG TYR A 43 3.358 -0.850 -0.280 1.00 0.00 C ATOM 652 CD1 TYR A 43 2.773 -2.102 -0.022 1.00 0.00 C ATOM 653 CD2 TYR A 43 3.549 -0.441 -1.629 1.00 0.00 C ATOM 654 CE1 TYR A 43 2.393 -2.927 -1.084 1.00 0.00 C ATOM 655 CE2 TYR A 43 3.166 -1.275 -2.673 1.00 0.00 C ATOM 656 CZ TYR A 43 2.595 -2.507 -2.402 1.00 0.00 C ATOM 657 OH TYR A 43 2.239 -3.312 -3.441 1.00 0.00 O ATOM 0 H TYR A 43 3.400 -1.608 2.746 1.00 0.00 H new ATOM 0 HA TYR A 43 5.644 -1.029 1.050 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.915 0.246 1.533 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.091 1.033 0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.617 -2.426 0.996 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.993 0.520 -1.843 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.943 -3.889 -0.887 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.314 -0.962 -3.696 1.00 0.00 H new ATOM 0 HH TYR A 43 1.995 -2.760 -4.213 1.00 0.00 H new ATOM 667 N ASP A 44 5.199 0.824 3.746 1.00 0.00 N ATOM 668 CA ASP A 44 5.837 1.866 4.597 1.00 0.00 C ATOM 669 C ASP A 44 6.471 1.182 5.818 1.00 0.00 C ATOM 670 O ASP A 44 5.753 0.700 6.702 1.00 0.00 O ATOM 671 CB ASP A 44 4.762 2.910 5.033 1.00 0.00 C ATOM 672 CG ASP A 44 3.754 3.170 3.902 1.00 0.00 C ATOM 673 OD1 ASP A 44 4.182 3.592 2.841 1.00 0.00 O ATOM 674 OD2 ASP A 44 2.571 2.938 4.113 1.00 0.00 O ATOM 0 H ASP A 44 4.401 0.361 4.182 1.00 0.00 H new ATOM 0 HA ASP A 44 6.615 2.391 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.237 2.548 5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.250 3.844 5.312 1.00 0.00 H new ATOM 679 N GLN A 45 7.810 1.070 5.824 1.00 0.00 N ATOM 680 CA GLN A 45 8.501 0.349 6.901 1.00 0.00 C ATOM 681 C GLN A 45 8.215 0.962 8.287 1.00 0.00 C ATOM 682 O GLN A 45 7.799 0.234 9.193 1.00 0.00 O ATOM 683 CB GLN A 45 10.029 0.398 6.615 1.00 0.00 C ATOM 684 CG GLN A 45 10.364 -0.224 5.225 1.00 0.00 C ATOM 685 CD GLN A 45 10.007 -1.711 5.166 1.00 0.00 C ATOM 686 OE1 GLN A 45 10.835 -2.565 5.492 1.00 0.00 O ATOM 687 NE2 GLN A 45 8.816 -2.066 4.774 1.00 0.00 N ATOM 0 H GLN A 45 8.424 1.462 5.109 1.00 0.00 H new ATOM 0 HA GLN A 45 8.136 -0.678 6.922 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.374 1.431 6.646 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.565 -0.141 7.396 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.820 0.311 4.447 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.426 -0.097 5.017 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.135 -1.356 4.505 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.565 -3.054 4.736 1.00 0.00 H new ATOM 696 N ASP A 46 8.397 2.297 8.463 1.00 0.00 N ATOM 697 CA ASP A 46 8.112 2.977 9.750 1.00 0.00 C ATOM 698 C ASP A 46 6.825 3.818 9.680 1.00 0.00 C ATOM 699 O ASP A 46 6.429 4.410 10.688 1.00 0.00 O ATOM 700 CB ASP A 46 9.326 3.892 10.064 1.00 0.00 C ATOM 701 CG ASP A 46 9.202 4.567 11.438 1.00 0.00 C ATOM 702 OD1 ASP A 46 8.655 3.948 12.334 1.00 0.00 O ATOM 703 OD2 ASP A 46 9.668 5.690 11.572 1.00 0.00 O ATOM 0 H ASP A 46 8.739 2.920 7.731 1.00 0.00 H new ATOM 0 HA ASP A 46 7.960 2.232 10.531 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.242 3.302 10.032 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.412 4.656 9.292 1.00 0.00 H new ATOM 708 N GLY A 47 6.179 3.884 8.496 1.00 0.00 N ATOM 709 CA GLY A 47 4.939 4.687 8.317 1.00 0.00 C ATOM 710 C GLY A 47 5.023 6.059 9.000 1.00 0.00 C ATOM 711 O GLY A 47 4.074 6.495 9.645 1.00 0.00 O ATOM 0 H GLY A 47 6.488 3.398 7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.750 4.826 7.252 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.091 4.135 8.722 1.00 0.00 H new ATOM 715 N ASP A 48 6.202 6.704 8.888 1.00 0.00 N ATOM 716 CA ASP A 48 6.481 8.017 9.517 1.00 0.00 C ATOM 717 C ASP A 48 6.788 9.093 8.475 1.00 0.00 C ATOM 718 O ASP A 48 6.709 10.283 8.778 1.00 0.00 O ATOM 719 CB ASP A 48 7.694 7.846 10.466 1.00 0.00 C ATOM 720 CG ASP A 48 7.976 9.130 11.266 1.00 0.00 C ATOM 721 OD1 ASP A 48 7.255 9.378 12.219 1.00 0.00 O ATOM 722 OD2 ASP A 48 8.905 9.840 10.913 1.00 0.00 O ATOM 0 H ASP A 48 6.990 6.331 8.359 1.00 0.00 H new ATOM 0 HA ASP A 48 5.597 8.342 10.065 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.504 7.023 11.154 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.576 7.578 9.884 1.00 0.00 H new ATOM 727 N GLN A 49 7.184 8.670 7.264 1.00 0.00 N ATOM 728 CA GLN A 49 7.561 9.606 6.169 1.00 0.00 C ATOM 729 C GLN A 49 6.828 9.259 4.877 1.00 0.00 C ATOM 730 O GLN A 49 6.038 8.318 4.822 1.00 0.00 O ATOM 731 CB GLN A 49 9.110 9.570 5.936 1.00 0.00 C ATOM 732 CG GLN A 49 9.633 8.119 5.671 1.00 0.00 C ATOM 733 CD GLN A 49 9.569 7.242 6.930 1.00 0.00 C ATOM 734 OE1 GLN A 49 8.764 6.215 6.959 1.00 0.00 O flip ATOM 735 NE2 GLN A 49 10.275 7.503 7.904 1.00 0.00 N flip ATOM 0 H GLN A 49 7.255 7.685 7.009 1.00 0.00 H new ATOM 0 HA GLN A 49 7.269 10.613 6.467 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.363 10.206 5.088 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.617 9.984 6.808 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.041 7.660 4.880 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.662 8.165 5.314 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.903 8.306 7.878 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.232 6.916 8.737 1.00 0.00 H new ATOM 744 N GLU A 50 7.124 10.030 3.821 1.00 0.00 N ATOM 745 CA GLU A 50 6.530 9.835 2.507 1.00 0.00 C ATOM 746 C GLU A 50 7.184 8.635 1.828 1.00 0.00 C ATOM 747 O GLU A 50 8.360 8.358 2.068 1.00 0.00 O ATOM 748 CB GLU A 50 6.730 11.112 1.650 1.00 0.00 C ATOM 749 CG GLU A 50 6.083 12.352 2.335 1.00 0.00 C ATOM 750 CD GLU A 50 4.564 12.174 2.522 1.00 0.00 C ATOM 751 OE1 GLU A 50 3.910 11.795 1.564 1.00 0.00 O ATOM 752 OE2 GLU A 50 4.085 12.404 3.624 1.00 0.00 O ATOM 0 H GLU A 50 7.785 10.806 3.863 1.00 0.00 H new ATOM 0 HA GLU A 50 5.462 9.646 2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.795 11.290 1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.289 10.965 0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.552 12.517 3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.274 13.241 1.733 1.00 0.00 H new ATOM 759 N LEU A 51 6.408 7.894 1.015 1.00 0.00 N ATOM 760 CA LEU A 51 6.926 6.689 0.355 1.00 0.00 C ATOM 761 C LEU A 51 7.504 7.032 -1.020 1.00 0.00 C ATOM 762 O LEU A 51 6.828 7.607 -1.874 1.00 0.00 O ATOM 763 CB LEU A 51 5.785 5.668 0.153 1.00 0.00 C ATOM 764 CG LEU A 51 6.297 4.280 -0.406 1.00 0.00 C ATOM 765 CD1 LEU A 51 7.130 3.504 0.649 1.00 0.00 C ATOM 766 CD2 LEU A 51 5.074 3.427 -0.841 1.00 0.00 C ATOM 0 H LEU A 51 5.433 8.108 0.804 1.00 0.00 H new ATOM 0 HA LEU A 51 7.707 6.269 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.276 5.506 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.050 6.083 -0.536 1.00 0.00 H new ATOM 0 HG LEU A 51 6.947 4.474 -1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.462 2.557 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.998 4.098 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.515 3.312 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.418 2.468 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.423 3.260 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.521 3.954 -1.618 1.00 0.00 H new ATOM 778 N THR A 52 8.777 6.692 -1.198 1.00 0.00 N ATOM 779 CA THR A 52 9.495 6.975 -2.424 1.00 0.00 C ATOM 780 C THR A 52 9.164 5.954 -3.478 1.00 0.00 C ATOM 781 O THR A 52 8.369 5.038 -3.269 1.00 0.00 O ATOM 782 CB THR A 52 11.012 7.034 -2.127 1.00 0.00 C ATOM 783 OG1 THR A 52 11.715 7.259 -3.338 1.00 0.00 O ATOM 784 CG2 THR A 52 11.506 5.720 -1.480 1.00 0.00 C ATOM 0 H THR A 52 9.335 6.212 -0.492 1.00 0.00 H new ATOM 0 HA THR A 52 9.188 7.945 -2.816 1.00 0.00 H new ATOM 0 HB THR A 52 11.197 7.849 -1.427 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.470 8.136 -3.701 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.576 5.791 -1.283 1.00 0.00 H new ATOM 0 HG22 THR A 52 10.975 5.554 -0.543 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.317 4.887 -2.157 1.00 0.00 H new ATOM 792 N GLU A 53 9.789 6.155 -4.616 1.00 0.00 N ATOM 793 CA GLU A 53 9.587 5.303 -5.768 1.00 0.00 C ATOM 794 C GLU A 53 10.271 3.958 -5.564 1.00 0.00 C ATOM 795 O GLU A 53 9.690 2.924 -5.829 1.00 0.00 O ATOM 796 CB GLU A 53 10.079 6.034 -7.045 1.00 0.00 C ATOM 797 CG GLU A 53 11.608 6.310 -6.997 1.00 0.00 C ATOM 798 CD GLU A 53 12.021 7.212 -8.166 1.00 0.00 C ATOM 799 OE1 GLU A 53 11.494 7.019 -9.249 1.00 0.00 O ATOM 800 OE2 GLU A 53 12.855 8.079 -7.957 1.00 0.00 O ATOM 0 H GLU A 53 10.452 6.914 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 53 8.524 5.096 -5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.846 5.431 -7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.542 6.976 -7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.869 6.785 -6.052 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.156 5.369 -7.043 1.00 0.00 H new ATOM 807 N HIS A 54 11.544 3.977 -5.160 1.00 0.00 N ATOM 808 CA HIS A 54 12.315 2.719 -5.051 1.00 0.00 C ATOM 809 C HIS A 54 11.568 1.722 -4.158 1.00 0.00 C ATOM 810 O HIS A 54 11.334 0.591 -4.573 1.00 0.00 O ATOM 811 CB HIS A 54 13.719 3.030 -4.476 1.00 0.00 C ATOM 812 CG HIS A 54 14.563 1.776 -4.440 1.00 0.00 C ATOM 813 ND1 HIS A 54 15.118 1.230 -5.587 1.00 0.00 N ATOM 814 CD2 HIS A 54 14.930 0.947 -3.413 1.00 0.00 C ATOM 815 CE1 HIS A 54 15.781 0.120 -5.225 1.00 0.00 C ATOM 816 NE2 HIS A 54 15.698 -0.100 -3.911 1.00 0.00 N ATOM 0 H HIS A 54 12.058 4.821 -4.907 1.00 0.00 H new ATOM 0 HA HIS A 54 12.429 2.270 -6.038 1.00 0.00 H new ATOM 0 HB2 HIS A 54 14.209 3.789 -5.086 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.625 3.442 -3.471 1.00 0.00 H new ATOM 0 HD2 HIS A 54 14.664 1.085 -2.376 1.00 0.00 H new ATOM 0 HE1 HIS A 54 16.316 -0.517 -5.913 1.00 0.00 H new ATOM 0 HE2 HIS A 54 16.110 -0.871 -3.385 1.00 0.00 H new ATOM 824 N GLU A 55 11.159 2.138 -2.956 1.00 0.00 N ATOM 825 CA GLU A 55 10.408 1.252 -2.063 1.00 0.00 C ATOM 826 C GLU A 55 9.077 0.850 -2.722 1.00 0.00 C ATOM 827 O GLU A 55 8.762 -0.326 -2.809 1.00 0.00 O ATOM 828 CB GLU A 55 10.147 2.000 -0.726 1.00 0.00 C ATOM 829 CG GLU A 55 11.490 2.377 -0.027 1.00 0.00 C ATOM 830 CD GLU A 55 12.270 1.125 0.412 1.00 0.00 C ATOM 831 OE1 GLU A 55 11.700 0.323 1.136 1.00 0.00 O ATOM 832 OE2 GLU A 55 13.417 0.984 0.015 1.00 0.00 O ATOM 0 H GLU A 55 11.333 3.071 -2.582 1.00 0.00 H new ATOM 0 HA GLU A 55 10.980 0.345 -1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.566 2.902 -0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.552 1.372 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.102 2.968 -0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.286 3.003 0.842 1.00 0.00 H new ATOM 839 N HIS A 56 8.310 1.837 -3.202 1.00 0.00 N ATOM 840 CA HIS A 56 7.011 1.562 -3.838 1.00 0.00 C ATOM 841 C HIS A 56 7.131 0.623 -5.060 1.00 0.00 C ATOM 842 O HIS A 56 6.434 -0.388 -5.119 1.00 0.00 O ATOM 843 CB HIS A 56 6.346 2.897 -4.273 1.00 0.00 C ATOM 844 CG HIS A 56 4.935 2.663 -4.781 1.00 0.00 C ATOM 845 ND1 HIS A 56 4.338 1.407 -4.757 1.00 0.00 N ATOM 846 CD2 HIS A 56 4.002 3.508 -5.317 1.00 0.00 C ATOM 847 CE1 HIS A 56 3.106 1.535 -5.264 1.00 0.00 C ATOM 848 NE2 HIS A 56 2.850 2.794 -5.620 1.00 0.00 N ATOM 0 H HIS A 56 8.561 2.825 -3.164 1.00 0.00 H new ATOM 0 HA HIS A 56 6.394 1.053 -3.097 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.323 3.587 -3.430 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.944 3.368 -5.054 1.00 0.00 H new ATOM 0 HD1 HIS A 56 4.762 0.545 -4.415 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.140 4.567 -5.479 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.406 0.720 -5.371 1.00 0.00 H new ATOM 856 N GLN A 57 7.996 0.959 -6.041 1.00 0.00 N ATOM 857 CA GLN A 57 8.144 0.131 -7.253 1.00 0.00 C ATOM 858 C GLN A 57 8.540 -1.322 -6.901 1.00 0.00 C ATOM 859 O GLN A 57 8.062 -2.262 -7.541 1.00 0.00 O ATOM 860 CB GLN A 57 9.179 0.799 -8.221 1.00 0.00 C ATOM 861 CG GLN A 57 8.484 1.763 -9.247 1.00 0.00 C ATOM 862 CD GLN A 57 7.502 2.753 -8.599 1.00 0.00 C ATOM 863 OE1 GLN A 57 7.778 3.268 -7.447 1.00 0.00 O flip ATOM 864 NE2 GLN A 57 6.459 3.060 -9.176 1.00 0.00 N flip ATOM 0 H GLN A 57 8.593 1.785 -6.018 1.00 0.00 H new ATOM 0 HA GLN A 57 7.182 0.074 -7.761 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.913 1.356 -7.639 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.723 0.024 -8.762 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.251 2.323 -9.782 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.950 1.167 -9.987 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.241 2.654 -10.086 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.813 3.721 -8.744 1.00 0.00 H new ATOM 873 N GLN A 58 9.397 -1.499 -5.880 1.00 0.00 N ATOM 874 CA GLN A 58 9.828 -2.846 -5.449 1.00 0.00 C ATOM 875 C GLN A 58 8.614 -3.637 -4.923 1.00 0.00 C ATOM 876 O GLN A 58 8.349 -4.756 -5.377 1.00 0.00 O ATOM 877 CB GLN A 58 10.933 -2.701 -4.348 1.00 0.00 C ATOM 878 CG GLN A 58 12.310 -2.332 -4.986 1.00 0.00 C ATOM 879 CD GLN A 58 13.361 -2.056 -3.900 1.00 0.00 C ATOM 880 OE1 GLN A 58 14.586 -2.489 -4.050 1.00 0.00 O flip ATOM 881 NE2 GLN A 58 13.052 -1.425 -2.890 1.00 0.00 N flip ATOM 0 H GLN A 58 9.803 -0.735 -5.340 1.00 0.00 H new ATOM 0 HA GLN A 58 10.247 -3.396 -6.292 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.641 -1.932 -3.633 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.023 -3.635 -3.793 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.648 -3.146 -5.627 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.197 -1.453 -5.621 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.097 -1.087 -2.772 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.751 -1.240 -2.171 1.00 0.00 H new ATOM 890 N MET A 59 7.879 -3.060 -3.955 1.00 0.00 N ATOM 891 CA MET A 59 6.706 -3.720 -3.375 1.00 0.00 C ATOM 892 C MET A 59 5.616 -3.897 -4.408 1.00 0.00 C ATOM 893 O MET A 59 4.879 -4.886 -4.388 1.00 0.00 O ATOM 894 CB MET A 59 6.212 -2.882 -2.179 1.00 0.00 C ATOM 895 CG MET A 59 7.363 -2.738 -1.141 1.00 0.00 C ATOM 896 SD MET A 59 8.015 -4.348 -0.560 1.00 0.00 S ATOM 897 CE MET A 59 6.460 -5.184 -0.131 1.00 0.00 C ATOM 0 H MET A 59 8.080 -2.140 -3.562 1.00 0.00 H new ATOM 0 HA MET A 59 6.980 -4.717 -3.030 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.888 -1.898 -2.519 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.348 -3.360 -1.717 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.175 -2.163 -1.586 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.002 -2.169 -0.284 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.651 -5.938 0.633 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.747 -4.453 0.251 1.00 0.00 H new ATOM 0 HE3 MET A 59 6.048 -5.664 -1.019 1.00 0.00 H new ATOM 907 N ARG A 60 5.500 -2.927 -5.309 1.00 0.00 N ATOM 908 CA ARG A 60 4.468 -3.009 -6.352 1.00 0.00 C ATOM 909 C ARG A 60 4.696 -4.288 -7.196 1.00 0.00 C ATOM 910 O ARG A 60 3.764 -5.051 -7.446 1.00 0.00 O ATOM 911 CB ARG A 60 4.620 -1.759 -7.236 1.00 0.00 C ATOM 912 CG ARG A 60 3.529 -1.707 -8.328 1.00 0.00 C ATOM 913 CD ARG A 60 3.741 -0.493 -9.248 1.00 0.00 C ATOM 914 NE ARG A 60 3.523 0.747 -8.494 1.00 0.00 N ATOM 915 CZ ARG A 60 3.535 1.958 -9.074 1.00 0.00 C ATOM 916 NH1 ARG A 60 3.731 2.086 -10.362 1.00 0.00 N ATOM 917 NH2 ARG A 60 3.343 3.022 -8.348 1.00 0.00 N ATOM 0 H ARG A 60 6.087 -2.094 -5.345 1.00 0.00 H new ATOM 0 HA ARG A 60 3.468 -3.054 -5.920 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.561 -0.864 -6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.605 -1.759 -7.703 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.552 -2.624 -8.916 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.544 -1.651 -7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.751 -0.508 -9.657 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.054 -0.541 -10.093 1.00 0.00 H new ATOM 0 HE ARG A 60 3.356 0.687 -7.490 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.877 1.259 -10.940 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.737 3.013 -10.787 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.185 2.933 -7.344 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.351 3.945 -8.783 1.00 0.00 H new ATOM 931 N ASP A 61 5.936 -4.506 -7.647 1.00 0.00 N ATOM 932 CA ASP A 61 6.272 -5.684 -8.464 1.00 0.00 C ATOM 933 C ASP A 61 5.987 -6.972 -7.674 1.00 0.00 C ATOM 934 O ASP A 61 5.508 -7.959 -8.223 1.00 0.00 O ATOM 935 CB ASP A 61 7.774 -5.620 -8.837 1.00 0.00 C ATOM 936 CG ASP A 61 8.070 -4.422 -9.750 1.00 0.00 C ATOM 937 OD1 ASP A 61 7.258 -4.149 -10.617 1.00 0.00 O ATOM 938 OD2 ASP A 61 9.110 -3.804 -9.569 1.00 0.00 O ATOM 0 H ASP A 61 6.724 -3.885 -7.462 1.00 0.00 H new ATOM 0 HA ASP A 61 5.664 -5.688 -9.369 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.374 -5.546 -7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.066 -6.543 -9.338 1.00 0.00 H new ATOM 943 N ASP A 62 6.250 -6.916 -6.363 1.00 0.00 N ATOM 944 CA ASP A 62 5.997 -8.045 -5.466 1.00 0.00 C ATOM 945 C ASP A 62 4.491 -8.311 -5.414 1.00 0.00 C ATOM 946 O ASP A 62 4.060 -9.456 -5.322 1.00 0.00 O ATOM 947 CB ASP A 62 6.551 -7.754 -4.052 1.00 0.00 C ATOM 948 CG ASP A 62 8.055 -7.446 -4.097 1.00 0.00 C ATOM 949 OD1 ASP A 62 8.734 -7.962 -4.977 1.00 0.00 O ATOM 950 OD2 ASP A 62 8.511 -6.702 -3.244 1.00 0.00 O ATOM 0 H ASP A 62 6.640 -6.095 -5.900 1.00 0.00 H new ATOM 0 HA ASP A 62 6.508 -8.930 -5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.017 -6.910 -3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.372 -8.613 -3.405 1.00 0.00 H new ATOM 955 N LEU A 63 3.697 -7.218 -5.455 1.00 0.00 N ATOM 956 CA LEU A 63 2.228 -7.319 -5.398 1.00 0.00 C ATOM 957 C LEU A 63 1.701 -8.177 -6.557 1.00 0.00 C ATOM 958 O LEU A 63 0.884 -9.071 -6.360 1.00 0.00 O ATOM 959 CB LEU A 63 1.588 -5.905 -5.474 1.00 0.00 C ATOM 960 CG LEU A 63 0.074 -5.906 -4.992 1.00 0.00 C ATOM 961 CD1 LEU A 63 -0.030 -5.779 -3.442 1.00 0.00 C ATOM 962 CD2 LEU A 63 -0.695 -4.736 -5.663 1.00 0.00 C ATOM 0 H LEU A 63 4.049 -6.263 -5.527 1.00 0.00 H new ATOM 0 HA LEU A 63 1.957 -7.790 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.163 -5.214 -4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.641 -5.538 -6.499 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.371 -6.857 -5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.079 -5.783 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.482 -6.619 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.434 -4.846 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.732 -4.743 -5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.231 -3.789 -5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.663 -4.853 -6.746 1.00 0.00 H new ATOM 974 N GLU A 64 2.183 -7.894 -7.775 1.00 0.00 N ATOM 975 CA GLU A 64 1.752 -8.668 -8.959 1.00 0.00 C ATOM 976 C GLU A 64 2.136 -10.165 -8.797 1.00 0.00 C ATOM 977 O GLU A 64 1.338 -11.057 -9.093 1.00 0.00 O ATOM 978 CB GLU A 64 2.420 -8.069 -10.223 1.00 0.00 C ATOM 979 CG GLU A 64 1.940 -6.606 -10.457 1.00 0.00 C ATOM 980 CD GLU A 64 2.620 -5.977 -11.688 1.00 0.00 C ATOM 981 OE1 GLU A 64 3.433 -6.641 -12.318 1.00 0.00 O ATOM 982 OE2 GLU A 64 2.315 -4.832 -11.981 1.00 0.00 O ATOM 0 H GLU A 64 2.857 -7.153 -7.970 1.00 0.00 H new ATOM 0 HA GLU A 64 0.668 -8.608 -9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.504 -8.088 -10.111 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.178 -8.680 -11.093 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.858 -6.594 -10.592 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.157 -6.005 -9.574 1.00 0.00 H new ATOM 989 N LYS A 65 3.369 -10.410 -8.338 1.00 0.00 N ATOM 990 CA LYS A 65 3.903 -11.785 -8.150 1.00 0.00 C ATOM 991 C LYS A 65 3.139 -12.611 -7.079 1.00 0.00 C ATOM 992 O LYS A 65 2.776 -13.773 -7.325 1.00 0.00 O ATOM 993 CB LYS A 65 5.392 -11.670 -7.716 1.00 0.00 C ATOM 994 CG LYS A 65 6.288 -11.138 -8.875 1.00 0.00 C ATOM 995 CD LYS A 65 7.764 -11.012 -8.392 1.00 0.00 C ATOM 996 CE LYS A 65 8.673 -10.485 -9.523 1.00 0.00 C ATOM 997 NZ LYS A 65 10.079 -10.405 -9.025 1.00 0.00 N ATOM 0 H LYS A 65 4.029 -9.674 -8.085 1.00 0.00 H new ATOM 0 HA LYS A 65 3.783 -12.310 -9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.471 -11.002 -6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.754 -12.646 -7.394 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.232 -11.814 -9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.923 -10.168 -9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.814 -10.338 -7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.124 -11.984 -8.054 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.618 -11.146 -10.388 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.334 -9.502 -9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.696 -10.050 -9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.123 -9.758 -8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.398 -11.351 -8.733 1.00 0.00 H new ATOM 1011 N GLU A 66 2.935 -12.028 -5.883 1.00 0.00 N ATOM 1012 CA GLU A 66 2.257 -12.744 -4.777 1.00 0.00 C ATOM 1013 C GLU A 66 0.780 -12.973 -5.126 1.00 0.00 C ATOM 1014 O GLU A 66 0.256 -14.063 -4.919 1.00 0.00 O ATOM 1015 CB GLU A 66 2.417 -11.944 -3.441 1.00 0.00 C ATOM 1016 CG GLU A 66 1.630 -10.604 -3.489 1.00 0.00 C ATOM 1017 CD GLU A 66 2.020 -9.664 -2.338 1.00 0.00 C ATOM 1018 OE1 GLU A 66 3.056 -9.028 -2.450 1.00 0.00 O ATOM 1019 OE2 GLU A 66 1.272 -9.585 -1.376 1.00 0.00 O ATOM 0 H GLU A 66 3.224 -11.077 -5.656 1.00 0.00 H new ATOM 0 HA GLU A 66 2.722 -13.720 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.060 -12.549 -2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.473 -11.742 -3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.817 -10.108 -4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.561 -10.810 -3.442 1.00 0.00 H new ATOM 1026 N ARG A 67 0.117 -11.926 -5.655 1.00 0.00 N ATOM 1027 CA ARG A 67 -1.310 -12.022 -6.025 1.00 0.00 C ATOM 1028 C ARG A 67 -1.537 -13.190 -7.012 1.00 0.00 C ATOM 1029 O ARG A 67 -2.483 -13.957 -6.844 1.00 0.00 O ATOM 1030 CB ARG A 67 -1.826 -10.683 -6.649 1.00 0.00 C ATOM 1031 CG ARG A 67 -2.072 -9.584 -5.563 1.00 0.00 C ATOM 1032 CD ARG A 67 -2.656 -8.310 -6.231 1.00 0.00 C ATOM 1033 NE ARG A 67 -1.739 -7.811 -7.275 1.00 0.00 N ATOM 1034 CZ ARG A 67 -2.098 -6.861 -8.161 1.00 0.00 C ATOM 1035 NH1 ARG A 67 -3.301 -6.341 -8.136 1.00 0.00 N ATOM 1036 NH2 ARG A 67 -1.240 -6.450 -9.055 1.00 0.00 N ATOM 0 H ARG A 67 0.539 -11.015 -5.834 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.877 -12.213 -5.114 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.099 -10.318 -7.375 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.753 -10.870 -7.192 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.760 -9.956 -4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.137 -9.345 -5.056 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.629 -8.534 -6.669 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.816 -7.538 -5.479 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.798 -8.200 -7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.978 -6.655 -7.440 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.560 -5.623 -8.812 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.301 -6.848 -9.082 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.509 -5.731 -9.727 1.00 0.00 H new ATOM 1050 N GLU A 68 -0.662 -13.335 -8.030 1.00 0.00 N ATOM 1051 CA GLU A 68 -0.807 -14.431 -9.014 1.00 0.00 C ATOM 1052 C GLU A 68 -0.733 -15.788 -8.293 1.00 0.00 C ATOM 1053 O GLU A 68 -1.716 -16.535 -8.256 1.00 0.00 O ATOM 1054 CB GLU A 68 0.314 -14.310 -10.084 1.00 0.00 C ATOM 1055 CG GLU A 68 0.113 -15.343 -11.233 1.00 0.00 C ATOM 1056 CD GLU A 68 1.210 -15.209 -12.298 1.00 0.00 C ATOM 1057 OE1 GLU A 68 2.233 -14.601 -12.014 1.00 0.00 O ATOM 1058 OE2 GLU A 68 1.013 -15.731 -13.382 1.00 0.00 O ATOM 0 H GLU A 68 0.137 -12.721 -8.191 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.775 -14.360 -9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.319 -13.301 -10.496 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.285 -14.468 -9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.122 -16.353 -10.823 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.864 -15.194 -11.693 1.00 0.00 H new ATOM 1065 N ASP A 69 0.441 -16.099 -7.720 1.00 0.00 N ATOM 1066 CA ASP A 69 0.633 -17.374 -6.999 1.00 0.00 C ATOM 1067 C ASP A 69 -0.480 -17.576 -5.938 1.00 0.00 C ATOM 1068 O ASP A 69 -1.018 -18.675 -5.799 1.00 0.00 O ATOM 1069 CB ASP A 69 2.030 -17.390 -6.328 1.00 0.00 C ATOM 1070 CG ASP A 69 3.139 -17.173 -7.369 1.00 0.00 C ATOM 1071 OD1 ASP A 69 3.015 -17.701 -8.462 1.00 0.00 O ATOM 1072 OD2 ASP A 69 4.102 -16.490 -7.049 1.00 0.00 O ATOM 0 H ASP A 69 1.263 -15.496 -7.739 1.00 0.00 H new ATOM 0 HA ASP A 69 0.572 -18.195 -7.714 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.082 -16.611 -5.567 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.183 -18.342 -5.820 1.00 0.00 H new ATOM 1077 N LEU A 70 -0.819 -16.501 -5.204 1.00 0.00 N ATOM 1078 CA LEU A 70 -1.871 -16.553 -4.169 1.00 0.00 C ATOM 1079 C LEU A 70 -3.243 -16.880 -4.781 1.00 0.00 C ATOM 1080 O LEU A 70 -4.042 -17.599 -4.171 1.00 0.00 O ATOM 1081 CB LEU A 70 -1.941 -15.190 -3.418 1.00 0.00 C ATOM 1082 CG LEU A 70 -3.044 -15.154 -2.288 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -2.773 -16.234 -1.197 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -3.081 -13.743 -1.637 1.00 0.00 C ATOM 0 H LEU A 70 -0.381 -15.586 -5.307 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.615 -17.347 -3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.969 -14.978 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.142 -14.397 -4.138 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.008 -15.372 -2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.550 -16.183 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.778 -17.223 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.801 -16.052 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.843 -13.722 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.108 -13.519 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.318 -12.998 -2.397 1.00 0.00 H new ATOM 1096 N ASP A 71 -3.529 -16.320 -5.970 1.00 0.00 N ATOM 1097 CA ASP A 71 -4.836 -16.530 -6.636 1.00 0.00 C ATOM 1098 C ASP A 71 -5.080 -18.022 -6.878 1.00 0.00 C ATOM 1099 O ASP A 71 -6.119 -18.564 -6.495 1.00 0.00 O ATOM 1100 CB ASP A 71 -4.889 -15.748 -7.981 1.00 0.00 C ATOM 1101 CG ASP A 71 -6.290 -15.819 -8.615 1.00 0.00 C ATOM 1102 OD1 ASP A 71 -7.154 -15.075 -8.174 1.00 0.00 O ATOM 1103 OD2 ASP A 71 -6.476 -16.613 -9.523 1.00 0.00 O ATOM 0 H ASP A 71 -2.883 -15.724 -6.488 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.622 -16.153 -5.982 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.618 -14.706 -7.809 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.153 -16.159 -8.672 1.00 0.00 H new ATOM 1108 N LEU A 72 -4.102 -18.681 -7.508 1.00 0.00 N ATOM 1109 CA LEU A 72 -4.190 -20.125 -7.791 1.00 0.00 C ATOM 1110 C LEU A 72 -4.215 -20.920 -6.470 1.00 0.00 C ATOM 1111 O LEU A 72 -4.998 -21.860 -6.325 1.00 0.00 O ATOM 1112 CB LEU A 72 -2.968 -20.553 -8.665 1.00 0.00 C ATOM 1113 CG LEU A 72 -3.190 -20.232 -10.188 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -3.428 -18.713 -10.409 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -1.949 -20.693 -11.004 1.00 0.00 C ATOM 0 H LEU A 72 -3.240 -18.242 -7.833 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.110 -20.337 -8.336 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.073 -20.039 -8.313 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.791 -21.622 -8.542 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.075 -20.770 -10.528 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.579 -18.519 -11.471 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.312 -18.399 -9.854 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.561 -18.154 -10.057 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.104 -20.470 -12.060 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.063 -20.166 -10.648 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.808 -21.766 -10.877 1.00 0.00 H new ATOM 1127 N ASP A 73 -3.352 -20.533 -5.506 1.00 0.00 N ATOM 1128 CA ASP A 73 -3.292 -21.220 -4.200 1.00 0.00 C ATOM 1129 C ASP A 73 -4.625 -21.026 -3.468 1.00 0.00 C ATOM 1130 O ASP A 73 -5.133 -19.904 -3.389 1.00 0.00 O ATOM 1131 CB ASP A 73 -2.129 -20.649 -3.345 1.00 0.00 C ATOM 1132 CG ASP A 73 -1.973 -21.410 -2.014 1.00 0.00 C ATOM 1133 OD1 ASP A 73 -1.463 -22.519 -2.047 1.00 0.00 O ATOM 1134 OD2 ASP A 73 -2.365 -20.873 -0.987 1.00 0.00 O ATOM 0 H ASP A 73 -2.696 -19.759 -5.606 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.114 -22.283 -4.360 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.199 -20.709 -3.910 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.311 -19.594 -3.142 1.00 0.00 H new ATOM 1139 N HIS A 74 -5.188 -22.116 -2.936 1.00 0.00 N ATOM 1140 CA HIS A 74 -6.463 -22.056 -2.216 1.00 0.00 C ATOM 1141 C HIS A 74 -6.315 -21.188 -0.961 1.00 0.00 C ATOM 1142 O HIS A 74 -7.207 -20.407 -0.625 1.00 0.00 O ATOM 1143 CB HIS A 74 -6.901 -23.496 -1.839 1.00 0.00 C ATOM 1144 CG HIS A 74 -8.244 -23.475 -1.142 1.00 0.00 C ATOM 1145 ND1 HIS A 74 -8.355 -23.524 0.237 1.00 0.00 N ATOM 1146 CD2 HIS A 74 -9.524 -23.353 -1.619 1.00 0.00 C ATOM 1147 CE1 HIS A 74 -9.659 -23.427 0.541 1.00 0.00 C ATOM 1148 NE2 HIS A 74 -10.418 -23.319 -0.553 1.00 0.00 N ATOM 0 H HIS A 74 -4.781 -23.050 -2.991 1.00 0.00 H new ATOM 0 HA HIS A 74 -7.226 -21.607 -2.852 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.960 -24.111 -2.737 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.154 -23.951 -1.189 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -7.586 -23.617 0.901 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -9.797 -23.293 -2.662 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -10.048 -23.435 1.549 1.00 0.00 H new ATOM 1156 N SER A 75 -5.180 -21.356 -0.272 1.00 0.00 N ATOM 1157 CA SER A 75 -4.892 -20.616 0.962 1.00 0.00 C ATOM 1158 C SER A 75 -6.025 -20.799 1.973 1.00 0.00 C ATOM 1159 O SER A 75 -6.917 -21.620 1.760 1.00 0.00 O ATOM 1160 CB SER A 75 -4.688 -19.121 0.656 1.00 0.00 C ATOM 1161 OG SER A 75 -4.326 -18.442 1.853 1.00 0.00 O ATOM 0 H SER A 75 -4.442 -22.002 -0.551 1.00 0.00 H new ATOM 0 HA SER A 75 -3.973 -21.012 1.394 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.910 -18.995 -0.097 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.602 -18.694 0.244 1.00 0.00 H new ATOM 0 HG SER A 75 -5.058 -17.851 2.128 1.00 0.00 H new ATOM 1167 N SER A 76 -6.000 -20.021 3.058 1.00 0.00 N ATOM 1168 CA SER A 76 -7.054 -20.097 4.083 1.00 0.00 C ATOM 1169 C SER A 76 -8.428 -19.735 3.477 1.00 0.00 C ATOM 1170 O SER A 76 -9.452 -20.318 3.834 1.00 0.00 O ATOM 1171 CB SER A 76 -6.719 -19.133 5.240 1.00 0.00 C ATOM 1172 OG SER A 76 -5.475 -19.505 5.820 1.00 0.00 O ATOM 0 H SER A 76 -5.270 -19.336 3.252 1.00 0.00 H new ATOM 0 HA SER A 76 -7.103 -21.118 4.462 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.669 -18.108 4.871 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.507 -19.163 5.993 1.00 0.00 H new ATOM 0 HG SER A 76 -5.260 -18.892 6.554 1.00 0.00 H new ATOM 1178 N LEU A 77 -8.425 -18.741 2.579 1.00 0.00 N ATOM 1179 CA LEU A 77 -9.660 -18.251 1.930 1.00 0.00 C ATOM 1180 C LEU A 77 -10.313 -19.368 1.058 1.00 0.00 C ATOM 1181 O LEU A 77 -9.598 -20.215 0.527 1.00 0.00 O ATOM 1182 CB LEU A 77 -9.308 -16.997 1.040 1.00 0.00 C ATOM 1183 CG LEU A 77 -9.255 -15.675 1.886 1.00 0.00 C ATOM 1184 CD1 LEU A 77 -8.184 -15.781 3.008 1.00 0.00 C ATOM 1185 CD2 LEU A 77 -8.942 -14.463 0.967 1.00 0.00 C ATOM 0 H LEU A 77 -7.579 -18.255 2.281 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.379 -17.967 2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.346 -17.156 0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.051 -16.893 0.250 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.230 -15.528 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.165 -14.854 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.431 -16.612 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.205 -15.952 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.908 -13.552 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.978 -14.614 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.720 -14.371 0.209 1.00 0.00 H new ATOM 1197 N PRO A 78 -11.647 -19.378 0.881 1.00 0.00 N ATOM 1198 CA PRO A 78 -12.341 -20.419 0.038 1.00 0.00 C ATOM 1199 C PRO A 78 -12.033 -20.206 -1.448 1.00 0.00 C ATOM 1200 O PRO A 78 -12.517 -20.987 -2.250 1.00 0.00 O ATOM 1201 CB PRO A 78 -13.850 -20.198 0.370 1.00 0.00 C ATOM 1202 CG PRO A 78 -13.926 -18.719 0.647 1.00 0.00 C ATOM 1203 CD PRO A 78 -12.634 -18.414 1.441 1.00 0.00 C ATOM 1204 OXT PRO A 78 -11.323 -19.263 -1.754 1.00 0.00 O ATOM 0 HA PRO A 78 -12.020 -21.439 0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -14.492 -20.486 -0.462 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.163 -20.786 1.232 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.971 -18.143 -0.277 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.816 -18.467 1.223 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.311 -17.382 1.302 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.776 -18.561 2.512 1.00 0.00 H new TER 1212 PRO A 78