USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 768 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 40 GLN : amide:sc= -3.05 K(o=-6.3,f=-20!) USER MOD Set 1.2: A 41 SER OG : rot 180:sc= -0.306 USER MOD Set 1.3: A 44 SER OG : rot 143:sc= -0.903 USER MOD Set 1.4: A 81 MET CE :methyl 166:sc= -2.03 (180deg=-1.81) USER MOD Set 2.1: A 24 GLN : amide:sc= -4.67! C(o=-10!,f=-16!) USER MOD Set 2.2: A 69 ASN : amide:sc= -5.59 K(o=-10,f=-12!) USER MOD Set 3.1: A 63 THR OG1 : rot 123:sc= 0.956 USER MOD Set 3.2: A 66 TYR OH : rot 180:sc= 0.336 USER MOD Set 4.1: A 45 MET CE :methyl -147:sc= -8.34! (180deg=-10.5!) USER MOD Set 4.2: A 50 HIS : no HE2:sc= -10.7! C(o=-19!,f=-22!) USER MOD Set 5.1: A 31 SER OG : rot 180:sc= -0.949 USER MOD Set 5.2: A 38 THR OG1 : rot 119:sc= 0.695! USER MOD Set 5.3: A 65 ASN : amide:sc= 0.0321 K(o=-0.22,f=0.56) USER MOD Set 6.1: A 32 THR OG1 : rot 117:sc= 0.00923 USER MOD Set 6.2: A 91 ASN : amide:sc= -8.6! C(o=-8.6!,f=-7.9!) USER MOD Single : A 1 ILE N :NH3+ 141:sc= -4.41! (180deg=-7.13!) USER MOD Single : A 5 HIS : no HD1:sc=-0.00885 X(o=-0.0089,f=-0.27) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -50:sc= -0.46! USER MOD Single : A 11 ASN : amide:sc= -1.99 X(o=-2,f=-1.9) USER MOD Single : A 12 SER OG : rot -27:sc= 1.44 USER MOD Single : A 13 THR OG1 : rot -55:sc= 0.614 USER MOD Single : A 16 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.68) USER MOD Single : A 19 TYR OH : rot 110:sc= -0.623 USER MOD Single : A 25 SER OG : rot -53:sc= 0.199 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 57:sc= 1.12 USER MOD Single : A 33 THR OG1 : rot -44:sc= 0.0507 USER MOD Single : A 35 THR OG1 : rot 180:sc= -2.29! USER MOD Single : A 43 SER OG : rot -39:sc= 0.361 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0447 USER MOD Single : A 48 HIS : no HD1:sc= -3.38! C(o=-3.4!,f=-8.9!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -15:sc= -3.01! USER MOD Single : A 59 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 79 TYR OH : rot 136:sc= 1.13 USER MOD Single : A 80 THR OG1 : rot -59:sc= -0.572 USER MOD Single : A 84 SER OG : rot 180:sc= 0.05 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 93 THR OG1 : rot 79:sc= -4.04! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -3.517 -15.437 13.813 1.00 0.00 N ATOM 2 CA ILE A 1 -3.267 -15.678 12.367 1.00 0.00 C ATOM 3 C ILE A 1 -4.375 -16.527 11.753 1.00 0.00 C ATOM 4 O ILE A 1 -5.083 -17.246 12.459 1.00 0.00 O ATOM 5 CB ILE A 1 -1.912 -16.380 12.135 1.00 0.00 C ATOM 6 CG1 ILE A 1 -1.892 -17.759 12.806 1.00 0.00 C ATOM 7 CG2 ILE A 1 -0.768 -15.513 12.643 1.00 0.00 C ATOM 8 CD1 ILE A 1 -1.845 -17.709 14.318 1.00 0.00 C ATOM 0 H1 ILE A 1 -2.618 -15.486 14.334 1.00 0.00 H new ATOM 0 H2 ILE A 1 -3.940 -14.495 13.940 1.00 0.00 H new ATOM 0 H3 ILE A 1 -4.168 -16.161 14.178 1.00 0.00 H new ATOM 0 HA ILE A 1 -3.248 -14.701 11.885 1.00 0.00 H new ATOM 0 HB ILE A 1 -1.780 -16.526 11.063 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -2.779 -18.314 12.499 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -1.027 -18.315 12.444 1.00 0.00 H new ATOM 0 HG21 ILE A 1 0.180 -16.024 12.471 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -0.769 -14.561 12.111 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -0.895 -15.332 13.710 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -1.833 -18.724 14.715 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -0.945 -17.184 14.637 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -2.723 -17.183 14.692 1.00 0.00 H new ATOM 22 N GLU A 2 -4.520 -16.438 10.434 1.00 0.00 N ATOM 23 CA GLU A 2 -5.543 -17.198 9.726 1.00 0.00 C ATOM 24 C GLU A 2 -6.937 -16.827 10.219 1.00 0.00 C ATOM 25 O GLU A 2 -7.100 -16.319 11.328 1.00 0.00 O ATOM 26 CB GLU A 2 -5.309 -18.699 9.905 1.00 0.00 C ATOM 27 CG GLU A 2 -5.705 -19.527 8.693 1.00 0.00 C ATOM 28 CD GLU A 2 -5.911 -20.990 9.029 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.903 -21.709 9.192 1.00 0.00 O ATOM 30 OE2 GLU A 2 -7.080 -21.418 9.128 1.00 0.00 O ATOM 0 H GLU A 2 -3.942 -15.848 9.835 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.475 -16.950 8.667 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.255 -18.870 10.122 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.873 -19.045 10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.623 -19.123 8.266 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.932 -19.439 7.929 1.00 0.00 H new ATOM 37 N GLY A 3 -7.941 -17.084 9.387 1.00 0.00 N ATOM 38 CA GLY A 3 -9.309 -16.770 9.757 1.00 0.00 C ATOM 39 C GLY A 3 -9.857 -17.714 10.809 1.00 0.00 C ATOM 40 O GLY A 3 -9.534 -18.901 10.817 1.00 0.00 O ATOM 0 H GLY A 3 -7.832 -17.504 8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -9.355 -15.747 10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.941 -16.813 8.870 1.00 0.00 H new ATOM 44 N ARG A 4 -10.689 -17.184 11.701 1.00 0.00 N ATOM 45 CA ARG A 4 -11.282 -17.986 12.763 1.00 0.00 C ATOM 46 C ARG A 4 -12.260 -17.156 13.590 1.00 0.00 C ATOM 47 O ARG A 4 -12.636 -16.050 13.199 1.00 0.00 O ATOM 48 CB ARG A 4 -10.188 -18.564 13.666 1.00 0.00 C ATOM 49 CG ARG A 4 -10.198 -20.083 13.735 1.00 0.00 C ATOM 50 CD ARG A 4 -8.789 -20.647 13.817 1.00 0.00 C ATOM 51 NE ARG A 4 -8.649 -21.886 13.057 1.00 0.00 N ATOM 52 CZ ARG A 4 -9.205 -23.042 13.414 1.00 0.00 C ATOM 53 NH1 ARG A 4 -9.939 -23.119 14.518 1.00 0.00 N ATOM 54 NH2 ARG A 4 -9.029 -24.121 12.666 1.00 0.00 N ATOM 0 H ARG A 4 -10.967 -16.203 11.708 1.00 0.00 H new ATOM 0 HA ARG A 4 -11.832 -18.807 12.302 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -9.215 -18.231 13.304 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -10.308 -18.162 14.672 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.771 -20.405 14.605 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -10.701 -20.485 12.855 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.081 -19.909 13.440 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -8.533 -20.831 14.860 1.00 0.00 H new ATOM 0 HE ARG A 4 -8.093 -21.865 12.202 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.079 -22.290 15.096 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.363 -24.007 14.788 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.467 -24.066 11.816 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.455 -25.006 12.940 1.00 0.00 H new ATOM 68 N HIS A 5 -12.669 -17.695 14.734 1.00 0.00 N ATOM 69 CA HIS A 5 -13.603 -17.003 15.615 1.00 0.00 C ATOM 70 C HIS A 5 -12.860 -16.111 16.606 1.00 0.00 C ATOM 71 O HIS A 5 -13.062 -16.204 17.817 1.00 0.00 O ATOM 72 CB HIS A 5 -14.471 -18.014 16.368 1.00 0.00 C ATOM 73 CG HIS A 5 -15.566 -18.602 15.532 1.00 0.00 C ATOM 74 ND1 HIS A 5 -15.510 -18.667 14.155 1.00 0.00 N ATOM 75 CD2 HIS A 5 -16.751 -19.154 15.886 1.00 0.00 C ATOM 76 CE1 HIS A 5 -16.613 -19.234 13.699 1.00 0.00 C ATOM 77 NE2 HIS A 5 -17.381 -19.538 14.728 1.00 0.00 N ATOM 0 H HIS A 5 -12.368 -18.609 15.073 1.00 0.00 H new ATOM 0 HA HIS A 5 -14.245 -16.372 15.000 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -13.837 -18.819 16.740 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -14.911 -17.526 17.238 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -17.129 -19.270 16.891 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -16.846 -19.417 12.661 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -18.296 -19.986 14.672 1.00 0.00 H new ATOM 86 N MET A 6 -11.995 -15.248 16.083 1.00 0.00 N ATOM 87 CA MET A 6 -11.221 -14.340 16.920 1.00 0.00 C ATOM 88 C MET A 6 -10.655 -13.188 16.094 1.00 0.00 C ATOM 89 O MET A 6 -10.896 -13.099 14.890 1.00 0.00 O ATOM 90 CB MET A 6 -10.083 -15.093 17.611 1.00 0.00 C ATOM 91 CG MET A 6 -10.532 -15.892 18.824 1.00 0.00 C ATOM 92 SD MET A 6 -9.229 -16.070 20.058 1.00 0.00 S ATOM 93 CE MET A 6 -8.140 -17.230 19.238 1.00 0.00 C ATOM 0 H MET A 6 -11.813 -15.159 15.083 1.00 0.00 H new ATOM 0 HA MET A 6 -11.888 -13.928 17.678 1.00 0.00 H new ATOM 0 HB2 MET A 6 -9.617 -15.768 16.894 1.00 0.00 H new ATOM 0 HB3 MET A 6 -9.320 -14.378 17.919 1.00 0.00 H new ATOM 0 HG2 MET A 6 -11.393 -15.402 19.278 1.00 0.00 H new ATOM 0 HG3 MET A 6 -10.860 -16.880 18.502 1.00 0.00 H new ATOM 0 HE1 MET A 6 -7.283 -17.440 19.879 1.00 0.00 H new ATOM 0 HE2 MET A 6 -8.679 -18.156 19.038 1.00 0.00 H new ATOM 0 HE3 MET A 6 -7.793 -16.801 18.298 1.00 0.00 H new ATOM 103 N ALA A 7 -9.902 -12.311 16.748 1.00 0.00 N ATOM 104 CA ALA A 7 -9.302 -11.167 16.073 1.00 0.00 C ATOM 105 C ALA A 7 -7.818 -11.041 16.412 1.00 0.00 C ATOM 106 O ALA A 7 -7.357 -9.984 16.843 1.00 0.00 O ATOM 107 CB ALA A 7 -10.042 -9.889 16.442 1.00 0.00 C ATOM 0 H ALA A 7 -9.693 -12.370 17.745 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.387 -11.326 14.998 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.583 -9.043 15.931 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.086 -9.973 16.140 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.987 -9.735 17.520 1.00 0.00 H new ATOM 113 N PRO A 8 -7.046 -12.125 16.220 1.00 0.00 N ATOM 114 CA PRO A 8 -5.608 -12.132 16.510 1.00 0.00 C ATOM 115 C PRO A 8 -4.836 -11.153 15.629 1.00 0.00 C ATOM 116 O PRO A 8 -4.124 -10.283 16.129 1.00 0.00 O ATOM 117 CB PRO A 8 -5.180 -13.574 16.213 1.00 0.00 C ATOM 118 CG PRO A 8 -6.239 -14.117 15.317 1.00 0.00 C ATOM 119 CD PRO A 8 -7.513 -13.427 15.711 1.00 0.00 C ATOM 0 HA PRO A 8 -5.401 -11.821 17.534 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.203 -13.604 15.731 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.101 -14.159 17.130 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.000 -13.926 14.271 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.330 -15.197 15.431 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.187 -13.310 14.862 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.055 -13.987 16.473 1.00 0.00 H new ATOM 127 N THR A 9 -4.983 -11.302 14.316 1.00 0.00 N ATOM 128 CA THR A 9 -4.299 -10.430 13.367 1.00 0.00 C ATOM 129 C THR A 9 -4.945 -10.514 11.988 1.00 0.00 C ATOM 130 O THR A 9 -4.425 -11.174 11.087 1.00 0.00 O ATOM 131 CB THR A 9 -2.818 -10.803 13.274 1.00 0.00 C ATOM 132 OG1 THR A 9 -2.371 -11.395 14.480 1.00 0.00 O ATOM 133 CG2 THR A 9 -1.920 -9.619 12.982 1.00 0.00 C ATOM 0 H THR A 9 -5.569 -12.017 13.885 1.00 0.00 H new ATOM 0 HA THR A 9 -4.385 -9.405 13.727 1.00 0.00 H new ATOM 0 HB THR A 9 -2.750 -11.505 12.443 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.635 -10.833 15.238 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.884 -9.953 12.929 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.206 -9.171 12.030 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.023 -8.880 13.776 1.00 0.00 H new ATOM 141 N GLU A 10 -6.080 -9.842 11.830 1.00 0.00 N ATOM 142 CA GLU A 10 -6.798 -9.840 10.559 1.00 0.00 C ATOM 143 C GLU A 10 -8.028 -8.941 10.636 1.00 0.00 C ATOM 144 O GLU A 10 -8.203 -8.196 11.601 1.00 0.00 O ATOM 145 CB GLU A 10 -7.205 -11.266 10.179 1.00 0.00 C ATOM 146 CG GLU A 10 -8.137 -11.924 11.185 1.00 0.00 C ATOM 147 CD GLU A 10 -7.653 -13.294 11.622 1.00 0.00 C ATOM 148 OE1 GLU A 10 -6.808 -13.880 10.913 1.00 0.00 O ATOM 149 OE2 GLU A 10 -8.121 -13.783 12.671 1.00 0.00 O ATOM 0 H GLU A 10 -6.523 -9.292 12.565 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.134 -9.447 9.789 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.692 -11.248 9.204 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.307 -11.875 10.076 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.233 -11.281 12.060 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.131 -12.017 10.747 1.00 0.00 H new ATOM 156 N ASN A 11 -8.879 -9.012 9.616 1.00 0.00 N ATOM 157 CA ASN A 11 -10.091 -8.199 9.573 1.00 0.00 C ATOM 158 C ASN A 11 -11.174 -8.754 10.500 1.00 0.00 C ATOM 159 O ASN A 11 -12.253 -8.174 10.615 1.00 0.00 O ATOM 160 CB ASN A 11 -10.623 -8.121 8.142 1.00 0.00 C ATOM 161 CG ASN A 11 -11.676 -7.043 7.975 1.00 0.00 C ATOM 162 OD1 ASN A 11 -11.413 -5.861 8.198 1.00 0.00 O ATOM 163 ND2 ASN A 11 -12.878 -7.445 7.581 1.00 0.00 N ATOM 0 H ASN A 11 -8.752 -9.623 8.809 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.831 -7.199 9.919 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.796 -7.926 7.460 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.047 -9.085 7.862 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.627 -6.764 7.452 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -13.053 -8.435 7.407 1.00 0.00 H new ATOM 170 N SER A 12 -10.886 -9.877 11.155 1.00 0.00 N ATOM 171 CA SER A 12 -11.842 -10.500 12.064 1.00 0.00 C ATOM 172 C SER A 12 -13.085 -10.957 11.308 1.00 0.00 C ATOM 173 O SER A 12 -13.740 -10.161 10.636 1.00 0.00 O ATOM 174 CB SER A 12 -12.231 -9.527 13.180 1.00 0.00 C ATOM 175 OG SER A 12 -13.313 -8.699 12.787 1.00 0.00 O ATOM 0 H SER A 12 -9.998 -10.373 11.072 1.00 0.00 H new ATOM 0 HA SER A 12 -11.368 -11.374 12.511 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.505 -10.087 14.074 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.373 -8.908 13.441 1.00 0.00 H new ATOM 0 HG SER A 12 -13.316 -8.606 11.811 1.00 0.00 H new ATOM 181 N THR A 13 -13.399 -12.246 11.420 1.00 0.00 N ATOM 182 CA THR A 13 -14.560 -12.821 10.743 1.00 0.00 C ATOM 183 C THR A 13 -14.640 -12.352 9.292 1.00 0.00 C ATOM 184 O THR A 13 -15.727 -12.230 8.725 1.00 0.00 O ATOM 185 CB THR A 13 -15.848 -12.456 11.488 1.00 0.00 C ATOM 186 OG1 THR A 13 -16.952 -13.169 10.957 1.00 0.00 O ATOM 187 CG2 THR A 13 -16.185 -10.982 11.429 1.00 0.00 C ATOM 0 H THR A 13 -12.864 -12.914 11.975 1.00 0.00 H new ATOM 0 HA THR A 13 -14.446 -13.905 10.744 1.00 0.00 H new ATOM 0 HB THR A 13 -15.662 -12.725 12.528 1.00 0.00 H new ATOM 0 HG1 THR A 13 -17.015 -13.004 9.993 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.109 -10.798 11.978 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.376 -10.406 11.877 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.314 -10.680 10.390 1.00 0.00 H new ATOM 195 N GLY A 14 -13.479 -12.087 8.701 1.00 0.00 N ATOM 196 CA GLY A 14 -13.432 -11.631 7.325 1.00 0.00 C ATOM 197 C GLY A 14 -12.112 -11.951 6.653 1.00 0.00 C ATOM 198 O GLY A 14 -11.103 -11.294 6.908 1.00 0.00 O ATOM 0 H GLY A 14 -12.569 -12.180 9.152 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.244 -12.095 6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.599 -10.554 7.296 1.00 0.00 H new ATOM 202 N VAL A 15 -12.119 -12.965 5.795 1.00 0.00 N ATOM 203 CA VAL A 15 -10.913 -13.375 5.083 1.00 0.00 C ATOM 204 C VAL A 15 -11.265 -14.103 3.790 1.00 0.00 C ATOM 205 O VAL A 15 -12.440 -14.253 3.455 1.00 0.00 O ATOM 206 CB VAL A 15 -10.027 -14.284 5.957 1.00 0.00 C ATOM 207 CG1 VAL A 15 -9.626 -13.572 7.240 1.00 0.00 C ATOM 208 CG2 VAL A 15 -10.739 -15.593 6.268 1.00 0.00 C ATOM 0 H VAL A 15 -12.947 -13.519 5.575 1.00 0.00 H new ATOM 0 HA VAL A 15 -10.357 -12.469 4.844 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.120 -14.514 5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.001 -14.232 7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.069 -12.668 6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.520 -13.306 7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.096 -16.219 6.886 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.665 -15.385 6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.967 -16.113 5.338 1.00 0.00 H new ATOM 218 N GLN A 16 -10.246 -14.555 3.065 1.00 0.00 N ATOM 219 CA GLN A 16 -10.470 -15.267 1.809 1.00 0.00 C ATOM 220 C GLN A 16 -9.164 -15.820 1.240 1.00 0.00 C ATOM 221 O GLN A 16 -8.868 -17.006 1.391 1.00 0.00 O ATOM 222 CB GLN A 16 -11.144 -14.349 0.782 1.00 0.00 C ATOM 223 CG GLN A 16 -10.808 -12.875 0.955 1.00 0.00 C ATOM 224 CD GLN A 16 -10.663 -12.152 -0.370 1.00 0.00 C ATOM 225 OE1 GLN A 16 -11.384 -12.432 -1.325 1.00 0.00 O ATOM 226 NE2 GLN A 16 -9.725 -11.214 -0.431 1.00 0.00 N ATOM 0 H GLN A 16 -9.265 -14.443 3.322 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.130 -16.108 2.021 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.849 -14.663 -0.219 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.224 -14.475 0.851 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.589 -12.394 1.544 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.880 -12.781 1.520 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.149 -11.015 0.387 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.580 -10.693 -1.296 1.00 0.00 H new ATOM 235 N ASP A 17 -8.394 -14.963 0.576 1.00 0.00 N ATOM 236 CA ASP A 17 -7.131 -15.380 -0.025 1.00 0.00 C ATOM 237 C ASP A 17 -6.110 -15.768 1.038 1.00 0.00 C ATOM 238 O ASP A 17 -6.250 -15.416 2.207 1.00 0.00 O ATOM 239 CB ASP A 17 -6.572 -14.266 -0.912 1.00 0.00 C ATOM 240 CG ASP A 17 -6.331 -14.728 -2.336 1.00 0.00 C ATOM 241 OD1 ASP A 17 -5.394 -15.525 -2.552 1.00 0.00 O ATOM 242 OD2 ASP A 17 -7.080 -14.292 -3.237 1.00 0.00 O ATOM 0 H ASP A 17 -8.622 -13.978 0.441 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.328 -16.259 -0.638 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.267 -13.426 -0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.636 -13.902 -0.488 1.00 0.00 H new ATOM 247 N CYS A 18 -5.083 -16.501 0.612 1.00 0.00 N ATOM 248 CA CYS A 18 -4.030 -16.959 1.510 1.00 0.00 C ATOM 249 C CYS A 18 -2.765 -16.127 1.346 1.00 0.00 C ATOM 250 O CYS A 18 -2.532 -15.526 0.295 1.00 0.00 O ATOM 251 CB CYS A 18 -3.711 -18.429 1.230 1.00 0.00 C ATOM 252 SG CYS A 18 -4.320 -19.594 2.489 1.00 0.00 S ATOM 0 H CYS A 18 -4.959 -16.791 -0.358 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.388 -16.846 2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.139 -18.702 0.265 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.630 -18.542 1.143 1.00 0.00 H new ATOM 257 N TYR A 19 -1.951 -16.099 2.395 1.00 0.00 N ATOM 258 CA TYR A 19 -0.707 -15.348 2.379 1.00 0.00 C ATOM 259 C TYR A 19 0.483 -16.298 2.495 1.00 0.00 C ATOM 260 O TYR A 19 0.306 -17.493 2.733 1.00 0.00 O ATOM 261 CB TYR A 19 -0.688 -14.318 3.512 1.00 0.00 C ATOM 262 CG TYR A 19 -0.135 -14.827 4.826 1.00 0.00 C ATOM 263 CD1 TYR A 19 1.234 -14.862 5.060 1.00 0.00 C ATOM 264 CD2 TYR A 19 -0.984 -15.269 5.833 1.00 0.00 C ATOM 265 CE1 TYR A 19 1.741 -15.321 6.258 1.00 0.00 C ATOM 266 CE2 TYR A 19 -0.484 -15.729 7.035 1.00 0.00 C ATOM 267 CZ TYR A 19 0.880 -15.753 7.243 1.00 0.00 C ATOM 268 OH TYR A 19 1.381 -16.210 8.439 1.00 0.00 O ATOM 0 H TYR A 19 -2.134 -16.591 3.270 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.633 -14.814 1.432 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.096 -13.460 3.193 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.705 -13.961 3.676 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.913 -14.524 4.291 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.052 -15.253 5.673 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.808 -15.342 6.423 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.157 -16.068 7.809 1.00 0.00 H new ATOM 0 HH TYR A 19 1.172 -15.567 9.148 1.00 0.00 H new ATOM 278 N ARG A 20 1.691 -15.769 2.340 1.00 0.00 N ATOM 279 CA ARG A 20 2.894 -16.587 2.441 1.00 0.00 C ATOM 280 C ARG A 20 4.122 -15.725 2.716 1.00 0.00 C ATOM 281 O ARG A 20 4.257 -14.628 2.174 1.00 0.00 O ATOM 282 CB ARG A 20 3.091 -17.400 1.160 1.00 0.00 C ATOM 283 CG ARG A 20 2.100 -18.545 1.010 1.00 0.00 C ATOM 284 CD ARG A 20 2.657 -19.653 0.131 1.00 0.00 C ATOM 285 NE ARG A 20 2.300 -19.466 -1.274 1.00 0.00 N ATOM 286 CZ ARG A 20 1.110 -19.770 -1.783 1.00 0.00 C ATOM 287 NH1 ARG A 20 0.157 -20.272 -1.009 1.00 0.00 N ATOM 288 NH2 ARG A 20 0.870 -19.569 -3.072 1.00 0.00 N ATOM 0 H ARG A 20 1.863 -14.783 2.145 1.00 0.00 H new ATOM 0 HA ARG A 20 2.768 -17.273 3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.000 -16.736 0.300 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.104 -17.802 1.147 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.856 -18.947 1.993 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.172 -18.170 0.580 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.742 -19.683 0.229 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.279 -20.615 0.477 1.00 0.00 H new ATOM 0 HE ARG A 20 3.006 -19.079 -1.901 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.335 -20.427 -0.017 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.754 -20.503 -1.406 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.598 -19.181 -3.672 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.043 -19.802 -3.463 1.00 0.00 H new ATOM 302 N GLY A 21 5.013 -16.229 3.567 1.00 0.00 N ATOM 303 CA GLY A 21 6.216 -15.491 3.908 1.00 0.00 C ATOM 304 C GLY A 21 5.937 -14.361 4.879 1.00 0.00 C ATOM 305 O GLY A 21 5.354 -14.577 5.942 1.00 0.00 O ATOM 0 H GLY A 21 4.922 -17.135 4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.946 -16.172 4.345 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.662 -15.086 3.000 1.00 0.00 H new ATOM 309 N ASP A 22 6.343 -13.150 4.511 1.00 0.00 N ATOM 310 CA ASP A 22 6.121 -11.982 5.357 1.00 0.00 C ATOM 311 C ASP A 22 4.881 -11.223 4.900 1.00 0.00 C ATOM 312 O ASP A 22 4.816 -9.997 5.004 1.00 0.00 O ATOM 313 CB ASP A 22 7.338 -11.054 5.333 1.00 0.00 C ATOM 314 CG ASP A 22 7.873 -10.831 3.931 1.00 0.00 C ATOM 315 OD1 ASP A 22 8.171 -11.830 3.244 1.00 0.00 O ATOM 316 OD2 ASP A 22 7.994 -9.658 3.522 1.00 0.00 O ATOM 0 H ASP A 22 6.826 -12.952 3.635 1.00 0.00 H new ATOM 0 HA ASP A 22 5.969 -12.329 6.379 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.067 -10.094 5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.126 -11.478 5.956 1.00 0.00 H new ATOM 321 N GLY A 23 3.902 -11.961 4.392 1.00 0.00 N ATOM 322 CA GLY A 23 2.677 -11.346 3.922 1.00 0.00 C ATOM 323 C GLY A 23 2.832 -10.709 2.556 1.00 0.00 C ATOM 324 O GLY A 23 2.752 -11.389 1.533 1.00 0.00 O ATOM 0 H GLY A 23 3.935 -12.976 4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.890 -12.099 3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.357 -10.589 4.638 1.00 0.00 H new ATOM 328 N GLN A 24 3.050 -9.399 2.540 1.00 0.00 N ATOM 329 CA GLN A 24 3.210 -8.666 1.290 1.00 0.00 C ATOM 330 C GLN A 24 4.442 -9.146 0.519 1.00 0.00 C ATOM 331 O GLN A 24 4.511 -9.008 -0.702 1.00 0.00 O ATOM 332 CB GLN A 24 3.284 -7.155 1.566 1.00 0.00 C ATOM 333 CG GLN A 24 4.689 -6.613 1.798 1.00 0.00 C ATOM 334 CD GLN A 24 5.474 -7.410 2.822 1.00 0.00 C ATOM 335 OE1 GLN A 24 6.597 -7.842 2.557 1.00 0.00 O ATOM 336 NE2 GLN A 24 4.893 -7.608 3.998 1.00 0.00 N ATOM 0 H GLN A 24 3.120 -8.823 3.379 1.00 0.00 H new ATOM 0 HA GLN A 24 2.339 -8.861 0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.840 -6.624 0.724 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.674 -6.930 2.441 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.232 -6.613 0.853 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.622 -5.576 2.127 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.961 -7.233 4.176 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.378 -8.135 4.724 1.00 0.00 H new ATOM 345 N SER A 25 5.407 -9.721 1.240 1.00 0.00 N ATOM 346 CA SER A 25 6.635 -10.232 0.629 1.00 0.00 C ATOM 347 C SER A 25 7.181 -9.270 -0.427 1.00 0.00 C ATOM 348 O SER A 25 7.617 -9.690 -1.497 1.00 0.00 O ATOM 349 CB SER A 25 6.381 -11.603 -0.001 1.00 0.00 C ATOM 350 OG SER A 25 7.599 -12.255 -0.313 1.00 0.00 O ATOM 0 H SER A 25 5.361 -9.844 2.251 1.00 0.00 H new ATOM 0 HA SER A 25 7.381 -10.327 1.418 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.800 -12.220 0.685 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.785 -11.486 -0.906 1.00 0.00 H new ATOM 0 HG SER A 25 8.154 -11.665 -0.864 1.00 0.00 H new ATOM 356 N TYR A 26 7.149 -7.978 -0.113 1.00 0.00 N ATOM 357 CA TYR A 26 7.635 -6.952 -1.030 1.00 0.00 C ATOM 358 C TYR A 26 6.837 -6.963 -2.333 1.00 0.00 C ATOM 359 O TYR A 26 5.947 -6.137 -2.532 1.00 0.00 O ATOM 360 CB TYR A 26 9.125 -7.154 -1.320 1.00 0.00 C ATOM 361 CG TYR A 26 9.995 -6.012 -0.843 1.00 0.00 C ATOM 362 CD1 TYR A 26 9.586 -4.691 -0.995 1.00 0.00 C ATOM 363 CD2 TYR A 26 11.224 -6.252 -0.243 1.00 0.00 C ATOM 364 CE1 TYR A 26 10.378 -3.645 -0.560 1.00 0.00 C ATOM 365 CE2 TYR A 26 12.021 -5.211 0.194 1.00 0.00 C ATOM 366 CZ TYR A 26 11.593 -3.910 0.033 1.00 0.00 C ATOM 367 OH TYR A 26 12.384 -2.871 0.466 1.00 0.00 O ATOM 0 H TYR A 26 6.791 -7.616 0.771 1.00 0.00 H new ATOM 0 HA TYR A 26 7.499 -5.981 -0.553 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.457 -8.076 -0.844 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.264 -7.282 -2.394 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.635 -4.479 -1.460 1.00 0.00 H new ATOM 0 HD2 TYR A 26 11.563 -7.270 -0.116 1.00 0.00 H new ATOM 0 HE1 TYR A 26 10.046 -2.625 -0.684 1.00 0.00 H new ATOM 0 HE2 TYR A 26 12.974 -5.415 0.659 1.00 0.00 H new ATOM 0 HH TYR A 26 13.206 -3.229 0.862 1.00 0.00 H new ATOM 377 N ARG A 27 7.160 -7.902 -3.216 1.00 0.00 N ATOM 378 CA ARG A 27 6.473 -8.021 -4.497 1.00 0.00 C ATOM 379 C ARG A 27 4.993 -8.338 -4.290 1.00 0.00 C ATOM 380 O ARG A 27 4.471 -8.212 -3.183 1.00 0.00 O ATOM 381 CB ARG A 27 7.127 -9.106 -5.353 1.00 0.00 C ATOM 382 CG ARG A 27 8.645 -9.017 -5.393 1.00 0.00 C ATOM 383 CD ARG A 27 9.293 -10.362 -5.105 1.00 0.00 C ATOM 384 NE ARG A 27 10.480 -10.586 -5.927 1.00 0.00 N ATOM 385 CZ ARG A 27 11.082 -11.766 -6.053 1.00 0.00 C ATOM 386 NH1 ARG A 27 10.613 -12.830 -5.413 1.00 0.00 N ATOM 387 NH2 ARG A 27 12.157 -11.881 -6.822 1.00 0.00 N ATOM 0 H ARG A 27 7.895 -8.593 -3.067 1.00 0.00 H new ATOM 0 HA ARG A 27 6.553 -7.066 -5.016 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.839 -10.084 -4.968 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.740 -9.037 -6.370 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.963 -8.662 -6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.986 -8.284 -4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.567 -10.414 -4.051 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.571 -11.158 -5.286 1.00 0.00 H new ATOM 0 HE ARG A 27 10.870 -9.791 -6.434 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.787 -12.746 -4.821 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.079 -13.732 -5.513 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.521 -11.066 -7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.620 -12.785 -6.920 1.00 0.00 H new ATOM 401 N GLY A 28 4.322 -8.747 -5.363 1.00 0.00 N ATOM 402 CA GLY A 28 2.910 -9.073 -5.275 1.00 0.00 C ATOM 403 C GLY A 28 2.044 -7.841 -5.111 1.00 0.00 C ATOM 404 O GLY A 28 2.150 -7.127 -4.113 1.00 0.00 O ATOM 0 H GLY A 28 4.731 -8.858 -6.291 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.607 -9.610 -6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.746 -9.744 -4.432 1.00 0.00 H new ATOM 408 N THR A 29 1.186 -7.586 -6.094 1.00 0.00 N ATOM 409 CA THR A 29 0.302 -6.428 -6.054 1.00 0.00 C ATOM 410 C THR A 29 -1.140 -6.822 -6.355 1.00 0.00 C ATOM 411 O THR A 29 -1.561 -6.834 -7.513 1.00 0.00 O ATOM 412 CB THR A 29 0.771 -5.368 -7.054 1.00 0.00 C ATOM 413 OG1 THR A 29 0.521 -5.789 -8.383 1.00 0.00 O ATOM 414 CG2 THR A 29 2.247 -5.053 -6.943 1.00 0.00 C ATOM 0 H THR A 29 1.085 -8.166 -6.927 1.00 0.00 H new ATOM 0 HA THR A 29 0.340 -6.014 -5.046 1.00 0.00 H new ATOM 0 HB THR A 29 0.205 -4.469 -6.810 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.433 -5.984 -8.490 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.514 -4.295 -7.679 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.465 -4.680 -5.942 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.827 -5.957 -7.127 1.00 0.00 H new ATOM 422 N LEU A 30 -1.896 -7.138 -5.309 1.00 0.00 N ATOM 423 CA LEU A 30 -3.294 -7.524 -5.466 1.00 0.00 C ATOM 424 C LEU A 30 -4.197 -6.298 -5.392 1.00 0.00 C ATOM 425 O LEU A 30 -5.258 -6.256 -6.013 1.00 0.00 O ATOM 426 CB LEU A 30 -3.690 -8.547 -4.394 1.00 0.00 C ATOM 427 CG LEU A 30 -2.590 -9.536 -3.989 1.00 0.00 C ATOM 428 CD1 LEU A 30 -3.189 -10.756 -3.302 1.00 0.00 C ATOM 429 CD2 LEU A 30 -1.767 -9.960 -5.199 1.00 0.00 C ATOM 0 H LEU A 30 -1.565 -7.135 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.418 -7.985 -6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.016 -8.008 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.548 -9.113 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.928 -9.032 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.391 -11.445 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.727 -10.442 -2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.878 -11.256 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.994 -10.661 -4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.417 -10.440 -5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.301 -9.083 -5.648 1.00 0.00 H new ATOM 441 N SER A 31 -3.757 -5.293 -4.641 1.00 0.00 N ATOM 442 CA SER A 31 -4.508 -4.052 -4.494 1.00 0.00 C ATOM 443 C SER A 31 -5.898 -4.298 -3.914 1.00 0.00 C ATOM 444 O SER A 31 -6.892 -3.783 -4.429 1.00 0.00 O ATOM 445 CB SER A 31 -4.630 -3.351 -5.850 1.00 0.00 C ATOM 446 OG SER A 31 -5.005 -1.994 -5.692 1.00 0.00 O ATOM 0 H SER A 31 -2.879 -5.315 -4.122 1.00 0.00 H new ATOM 0 HA SER A 31 -3.962 -3.415 -3.798 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.679 -3.409 -6.380 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.369 -3.866 -6.464 1.00 0.00 H new ATOM 0 HG SER A 31 -5.075 -1.569 -6.572 1.00 0.00 H new ATOM 452 N THR A 32 -5.969 -5.074 -2.838 1.00 0.00 N ATOM 453 CA THR A 32 -7.250 -5.361 -2.203 1.00 0.00 C ATOM 454 C THR A 32 -7.133 -5.372 -0.684 1.00 0.00 C ATOM 455 O THR A 32 -6.068 -5.102 -0.131 1.00 0.00 O ATOM 456 CB THR A 32 -7.808 -6.695 -2.693 1.00 0.00 C ATOM 457 OG1 THR A 32 -7.240 -7.052 -3.940 1.00 0.00 O ATOM 458 CG2 THR A 32 -9.309 -6.665 -2.858 1.00 0.00 C ATOM 0 H THR A 32 -5.163 -5.512 -2.391 1.00 0.00 H new ATOM 0 HA THR A 32 -7.938 -4.563 -2.484 1.00 0.00 H new ATOM 0 HB THR A 32 -7.548 -7.428 -1.929 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.723 -7.879 -3.839 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.656 -7.637 -3.208 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.776 -6.437 -1.900 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.580 -5.900 -3.585 1.00 0.00 H new ATOM 466 N THR A 33 -8.237 -5.679 -0.011 1.00 0.00 N ATOM 467 CA THR A 33 -8.256 -5.717 1.446 1.00 0.00 C ATOM 468 C THR A 33 -8.772 -7.055 1.965 1.00 0.00 C ATOM 469 O THR A 33 -7.992 -7.961 2.258 1.00 0.00 O ATOM 470 CB THR A 33 -9.120 -4.592 2.014 1.00 0.00 C ATOM 471 OG1 THR A 33 -10.442 -4.666 1.510 1.00 0.00 O ATOM 472 CG2 THR A 33 -8.590 -3.212 1.711 1.00 0.00 C ATOM 0 H THR A 33 -9.129 -5.905 -0.451 1.00 0.00 H new ATOM 0 HA THR A 33 -7.226 -5.584 1.778 1.00 0.00 H new ATOM 0 HB THR A 33 -9.101 -4.739 3.094 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.415 -4.842 0.546 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.254 -2.464 2.145 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.593 -3.103 2.138 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.540 -3.070 0.631 1.00 0.00 H new ATOM 480 N ILE A 34 -10.089 -7.162 2.109 1.00 0.00 N ATOM 481 CA ILE A 34 -10.698 -8.375 2.627 1.00 0.00 C ATOM 482 C ILE A 34 -11.890 -8.828 1.779 1.00 0.00 C ATOM 483 O ILE A 34 -12.149 -10.025 1.657 1.00 0.00 O ATOM 484 CB ILE A 34 -11.128 -8.168 4.101 1.00 0.00 C ATOM 485 CG1 ILE A 34 -10.735 -9.380 4.941 1.00 0.00 C ATOM 486 CG2 ILE A 34 -12.622 -7.891 4.221 1.00 0.00 C ATOM 487 CD1 ILE A 34 -9.248 -9.478 5.194 1.00 0.00 C ATOM 0 H ILE A 34 -10.751 -6.423 1.874 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.949 -9.166 2.579 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.604 -7.290 4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.257 -9.335 5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.071 -10.286 4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.883 -7.752 5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.871 -6.989 3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -13.182 -8.734 3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.039 -10.362 5.797 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.721 -9.555 4.243 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.910 -8.588 5.725 1.00 0.00 H new ATOM 499 N THR A 35 -12.616 -7.874 1.202 1.00 0.00 N ATOM 500 CA THR A 35 -13.776 -8.202 0.381 1.00 0.00 C ATOM 501 C THR A 35 -13.819 -7.365 -0.896 1.00 0.00 C ATOM 502 O THR A 35 -14.868 -6.836 -1.266 1.00 0.00 O ATOM 503 CB THR A 35 -15.065 -8.000 1.181 1.00 0.00 C ATOM 504 OG1 THR A 35 -14.810 -8.081 2.572 1.00 0.00 O ATOM 505 CG2 THR A 35 -16.138 -9.016 0.851 1.00 0.00 C ATOM 0 H THR A 35 -12.423 -6.876 1.287 1.00 0.00 H new ATOM 0 HA THR A 35 -13.689 -9.249 0.092 1.00 0.00 H new ATOM 0 HB THR A 35 -15.426 -7.010 0.903 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.646 -7.948 3.066 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.025 -8.817 1.452 1.00 0.00 H new ATOM 0 HG22 THR A 35 -16.393 -8.945 -0.206 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.769 -10.018 1.069 1.00 0.00 H new ATOM 513 N GLY A 36 -12.682 -7.262 -1.575 1.00 0.00 N ATOM 514 CA GLY A 36 -12.629 -6.503 -2.813 1.00 0.00 C ATOM 515 C GLY A 36 -12.102 -5.093 -2.627 1.00 0.00 C ATOM 516 O GLY A 36 -11.386 -4.576 -3.484 1.00 0.00 O ATOM 0 H GLY A 36 -11.799 -7.688 -1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.996 -7.029 -3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.628 -6.456 -3.246 1.00 0.00 H new ATOM 520 N ARG A 37 -12.458 -4.465 -1.511 1.00 0.00 N ATOM 521 CA ARG A 37 -12.012 -3.104 -1.231 1.00 0.00 C ATOM 522 C ARG A 37 -10.490 -3.020 -1.251 1.00 0.00 C ATOM 523 O ARG A 37 -9.806 -3.851 -0.662 1.00 0.00 O ATOM 524 CB ARG A 37 -12.544 -2.640 0.126 1.00 0.00 C ATOM 525 CG ARG A 37 -14.059 -2.697 0.236 1.00 0.00 C ATOM 526 CD ARG A 37 -14.506 -3.183 1.607 1.00 0.00 C ATOM 527 NE ARG A 37 -15.464 -4.281 1.511 1.00 0.00 N ATOM 528 CZ ARG A 37 -16.761 -4.114 1.260 1.00 0.00 C ATOM 529 NH1 ARG A 37 -17.258 -2.897 1.078 1.00 0.00 N ATOM 530 NH2 ARG A 37 -17.562 -5.168 1.191 1.00 0.00 N ATOM 0 H ARG A 37 -13.051 -4.874 -0.789 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.405 -2.449 -2.009 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.107 -3.259 0.909 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.213 -1.617 0.307 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.475 -1.707 0.047 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.455 -3.361 -0.532 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.636 -3.509 2.178 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.956 -2.356 2.156 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.119 -5.232 1.644 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -16.646 -2.083 1.130 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -18.252 -2.776 0.886 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.185 -6.105 1.330 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.556 -5.042 0.999 1.00 0.00 H new ATOM 544 N THR A 38 -9.963 -2.012 -1.935 1.00 0.00 N ATOM 545 CA THR A 38 -8.520 -1.829 -2.030 1.00 0.00 C ATOM 546 C THR A 38 -7.979 -1.104 -0.810 1.00 0.00 C ATOM 547 O THR A 38 -8.633 -1.025 0.223 1.00 0.00 O ATOM 548 CB THR A 38 -8.161 -1.026 -3.279 1.00 0.00 C ATOM 549 OG1 THR A 38 -6.755 -0.941 -3.434 1.00 0.00 O ATOM 550 CG2 THR A 38 -8.706 0.390 -3.243 1.00 0.00 C ATOM 0 H THR A 38 -10.512 -1.310 -2.431 1.00 0.00 H new ATOM 0 HA THR A 38 -8.070 -2.820 -2.087 1.00 0.00 H new ATOM 0 HB THR A 38 -8.615 -1.559 -4.114 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.493 -1.365 -4.278 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.420 0.913 -4.155 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.793 0.360 -3.167 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.297 0.916 -2.380 1.00 0.00 H new ATOM 558 N CYS A 39 -6.780 -0.563 -0.963 1.00 0.00 N ATOM 559 CA CYS A 39 -6.121 0.186 0.092 1.00 0.00 C ATOM 560 C CYS A 39 -5.850 1.617 -0.367 1.00 0.00 C ATOM 561 O CYS A 39 -4.812 1.892 -0.969 1.00 0.00 O ATOM 562 CB CYS A 39 -4.811 -0.493 0.473 1.00 0.00 C ATOM 563 SG CYS A 39 -4.997 -1.838 1.684 1.00 0.00 S ATOM 0 H CYS A 39 -6.237 -0.632 -1.824 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.775 0.213 0.964 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.345 -0.892 -0.428 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.131 0.256 0.879 1.00 0.00 H new ATOM 568 N GLN A 40 -6.796 2.521 -0.089 1.00 0.00 N ATOM 569 CA GLN A 40 -6.679 3.936 -0.478 1.00 0.00 C ATOM 570 C GLN A 40 -5.225 4.375 -0.598 1.00 0.00 C ATOM 571 O GLN A 40 -4.408 4.113 0.285 1.00 0.00 O ATOM 572 CB GLN A 40 -7.413 4.829 0.529 1.00 0.00 C ATOM 573 CG GLN A 40 -8.664 5.491 -0.033 1.00 0.00 C ATOM 574 CD GLN A 40 -8.442 6.115 -1.398 1.00 0.00 C ATOM 575 OE1 GLN A 40 -7.310 6.227 -1.866 1.00 0.00 O ATOM 576 NE2 GLN A 40 -9.527 6.524 -2.045 1.00 0.00 N ATOM 0 H GLN A 40 -7.658 2.298 0.408 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.141 4.042 -1.460 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.689 4.231 1.397 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.730 5.603 0.879 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.460 4.750 -0.104 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.005 6.260 0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.447 6.412 -1.620 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.440 6.950 -2.968 1.00 0.00 H new ATOM 585 N SER A 41 -4.911 5.039 -1.706 1.00 0.00 N ATOM 586 CA SER A 41 -3.556 5.510 -1.957 1.00 0.00 C ATOM 587 C SER A 41 -2.995 6.227 -0.739 1.00 0.00 C ATOM 588 O SER A 41 -3.741 6.775 0.074 1.00 0.00 O ATOM 589 CB SER A 41 -3.526 6.428 -3.186 1.00 0.00 C ATOM 590 OG SER A 41 -2.957 7.691 -2.880 1.00 0.00 O ATOM 0 H SER A 41 -5.578 5.263 -2.444 1.00 0.00 H new ATOM 0 HA SER A 41 -2.926 4.643 -2.157 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.952 5.953 -3.982 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.540 6.566 -3.562 1.00 0.00 H new ATOM 0 HG SER A 41 -2.952 8.251 -3.684 1.00 0.00 H new ATOM 596 N TRP A 42 -1.679 6.221 -0.626 1.00 0.00 N ATOM 597 CA TRP A 42 -1.007 6.870 0.486 1.00 0.00 C ATOM 598 C TRP A 42 -0.883 8.373 0.241 1.00 0.00 C ATOM 599 O TRP A 42 -0.330 9.102 1.064 1.00 0.00 O ATOM 600 CB TRP A 42 0.371 6.243 0.696 1.00 0.00 C ATOM 601 CG TRP A 42 0.342 4.741 0.698 1.00 0.00 C ATOM 602 CD1 TRP A 42 0.157 3.921 -0.378 1.00 0.00 C ATOM 603 CD2 TRP A 42 0.500 3.881 1.832 1.00 0.00 C ATOM 604 NE1 TRP A 42 0.185 2.606 0.017 1.00 0.00 N ATOM 605 CE2 TRP A 42 0.397 2.555 1.370 1.00 0.00 C ATOM 606 CE3 TRP A 42 0.718 4.105 3.193 1.00 0.00 C ATOM 607 CZ2 TRP A 42 0.505 1.459 2.222 1.00 0.00 C ATOM 608 CZ3 TRP A 42 0.826 3.015 4.037 1.00 0.00 C ATOM 609 CH2 TRP A 42 0.718 1.707 3.550 1.00 0.00 C ATOM 0 H TRP A 42 -1.052 5.772 -1.294 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.602 6.725 1.388 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.043 6.586 -0.090 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.782 6.594 1.643 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.010 4.258 -1.393 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.067 1.799 -0.596 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.801 5.110 3.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.423 0.449 1.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.997 3.176 5.091 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.805 0.878 4.236 1.00 0.00 H new ATOM 620 N SER A 43 -1.408 8.831 -0.896 1.00 0.00 N ATOM 621 CA SER A 43 -1.365 10.244 -1.249 1.00 0.00 C ATOM 622 C SER A 43 -2.703 10.712 -1.826 1.00 0.00 C ATOM 623 O SER A 43 -2.804 11.823 -2.344 1.00 0.00 O ATOM 624 CB SER A 43 -0.245 10.502 -2.257 1.00 0.00 C ATOM 625 OG SER A 43 0.026 11.888 -2.375 1.00 0.00 O ATOM 0 H SER A 43 -1.868 8.239 -1.588 1.00 0.00 H new ATOM 0 HA SER A 43 -1.169 10.811 -0.339 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.658 9.977 -1.944 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.527 10.099 -3.230 1.00 0.00 H new ATOM 0 HG SER A 43 -0.815 12.389 -2.346 1.00 0.00 H new ATOM 631 N SER A 44 -3.731 9.862 -1.743 1.00 0.00 N ATOM 632 CA SER A 44 -5.049 10.210 -2.267 1.00 0.00 C ATOM 633 C SER A 44 -5.877 10.944 -1.217 1.00 0.00 C ATOM 634 O SER A 44 -6.639 10.328 -0.472 1.00 0.00 O ATOM 635 CB SER A 44 -5.783 8.950 -2.723 1.00 0.00 C ATOM 636 OG SER A 44 -5.469 7.849 -1.890 1.00 0.00 O ATOM 0 H SER A 44 -3.674 8.935 -1.321 1.00 0.00 H new ATOM 0 HA SER A 44 -4.911 10.873 -3.121 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.859 9.126 -2.708 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.512 8.720 -3.753 1.00 0.00 H new ATOM 0 HG SER A 44 -6.268 7.296 -1.764 1.00 0.00 H new ATOM 642 N MET A 45 -5.723 12.263 -1.164 1.00 0.00 N ATOM 643 CA MET A 45 -6.458 13.081 -0.205 1.00 0.00 C ATOM 644 C MET A 45 -7.756 13.601 -0.817 1.00 0.00 C ATOM 645 O MET A 45 -7.794 14.701 -1.369 1.00 0.00 O ATOM 646 CB MET A 45 -5.594 14.254 0.265 1.00 0.00 C ATOM 647 CG MET A 45 -4.976 14.045 1.640 1.00 0.00 C ATOM 648 SD MET A 45 -3.172 14.062 1.604 1.00 0.00 S ATOM 649 CE MET A 45 -2.792 13.518 3.267 1.00 0.00 C ATOM 0 H MET A 45 -5.096 12.788 -1.773 1.00 0.00 H new ATOM 0 HA MET A 45 -6.707 12.457 0.653 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.798 14.421 -0.460 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.203 15.158 0.283 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.329 14.825 2.315 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.318 13.093 2.046 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.874 13.998 3.606 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.611 13.788 3.934 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.659 12.436 3.275 1.00 0.00 H new ATOM 659 N THR A 46 -8.817 12.807 -0.713 1.00 0.00 N ATOM 660 CA THR A 46 -10.115 13.196 -1.256 1.00 0.00 C ATOM 661 C THR A 46 -11.261 12.580 -0.449 1.00 0.00 C ATOM 662 O THR A 46 -12.025 13.300 0.192 1.00 0.00 O ATOM 663 CB THR A 46 -10.225 12.804 -2.734 1.00 0.00 C ATOM 664 OG1 THR A 46 -9.055 12.133 -3.170 1.00 0.00 O ATOM 665 CG2 THR A 46 -10.439 13.990 -3.649 1.00 0.00 C ATOM 0 H THR A 46 -8.805 11.893 -0.260 1.00 0.00 H new ATOM 0 HA THR A 46 -10.196 14.280 -1.180 1.00 0.00 H new ATOM 0 HB THR A 46 -11.096 12.151 -2.794 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.149 11.892 -4.115 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.509 13.646 -4.681 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.362 14.500 -3.374 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.601 14.680 -3.553 1.00 0.00 H new ATOM 673 N PRO A 47 -11.404 11.239 -0.466 1.00 0.00 N ATOM 674 CA PRO A 47 -12.472 10.562 0.277 1.00 0.00 C ATOM 675 C PRO A 47 -12.183 10.496 1.772 1.00 0.00 C ATOM 676 O PRO A 47 -13.040 10.815 2.595 1.00 0.00 O ATOM 677 CB PRO A 47 -12.488 9.161 -0.333 1.00 0.00 C ATOM 678 CG PRO A 47 -11.090 8.933 -0.794 1.00 0.00 C ATOM 679 CD PRO A 47 -10.550 10.281 -1.197 1.00 0.00 C ATOM 0 HA PRO A 47 -13.425 11.085 0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -12.790 8.413 0.400 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -13.193 9.098 -1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.486 8.494 0.000 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.066 8.238 -1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.501 10.390 -0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.614 10.431 -2.275 1.00 0.00 H new ATOM 687 N HIS A 48 -10.969 10.081 2.117 1.00 0.00 N ATOM 688 CA HIS A 48 -10.560 9.975 3.512 1.00 0.00 C ATOM 689 C HIS A 48 -9.040 9.959 3.628 1.00 0.00 C ATOM 690 O HIS A 48 -8.348 9.410 2.770 1.00 0.00 O ATOM 691 CB HIS A 48 -11.150 8.714 4.150 1.00 0.00 C ATOM 692 CG HIS A 48 -10.815 7.452 3.414 1.00 0.00 C ATOM 693 ND1 HIS A 48 -9.729 6.662 3.733 1.00 0.00 N ATOM 694 CD2 HIS A 48 -11.430 6.841 2.375 1.00 0.00 C ATOM 695 CE1 HIS A 48 -9.693 5.620 2.921 1.00 0.00 C ATOM 696 NE2 HIS A 48 -10.714 5.705 2.088 1.00 0.00 N ATOM 0 H HIS A 48 -10.249 9.812 1.447 1.00 0.00 H new ATOM 0 HA HIS A 48 -10.940 10.847 4.044 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.788 8.633 5.175 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.234 8.817 4.202 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.319 7.183 1.866 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.954 4.833 2.936 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -10.935 5.035 1.351 1.00 0.00 H new ATOM 705 N TRP A 49 -8.522 10.567 4.693 1.00 0.00 N ATOM 706 CA TRP A 49 -7.080 10.621 4.915 1.00 0.00 C ATOM 707 C TRP A 49 -6.460 9.230 4.830 1.00 0.00 C ATOM 708 O TRP A 49 -7.158 8.221 4.937 1.00 0.00 O ATOM 709 CB TRP A 49 -6.772 11.250 6.277 1.00 0.00 C ATOM 710 CG TRP A 49 -6.451 12.712 6.197 1.00 0.00 C ATOM 711 CD1 TRP A 49 -7.341 13.740 6.078 1.00 0.00 C ATOM 712 CD2 TRP A 49 -5.149 13.310 6.230 1.00 0.00 C ATOM 713 NE1 TRP A 49 -6.675 14.939 6.035 1.00 0.00 N ATOM 714 CE2 TRP A 49 -5.330 14.702 6.128 1.00 0.00 C ATOM 715 CE3 TRP A 49 -3.848 12.807 6.337 1.00 0.00 C ATOM 716 CZ2 TRP A 49 -4.262 15.595 6.128 1.00 0.00 C ATOM 717 CZ3 TRP A 49 -2.788 13.695 6.338 1.00 0.00 C ATOM 718 CH2 TRP A 49 -3.002 15.075 6.234 1.00 0.00 C ATOM 0 H TRP A 49 -9.078 11.028 5.413 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.643 11.240 4.131 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.628 11.109 6.936 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -5.931 10.725 6.730 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.414 13.626 6.025 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.111 15.857 5.948 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -3.675 11.744 6.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -4.423 16.660 6.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -1.779 13.318 6.420 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.153 15.743 6.238 1.00 0.00 H new ATOM 729 N HIS A 50 -5.148 9.185 4.636 1.00 0.00 N ATOM 730 CA HIS A 50 -4.428 7.919 4.534 1.00 0.00 C ATOM 731 C HIS A 50 -3.406 7.790 5.659 1.00 0.00 C ATOM 732 O HIS A 50 -3.653 7.120 6.661 1.00 0.00 O ATOM 733 CB HIS A 50 -3.732 7.801 3.170 1.00 0.00 C ATOM 734 CG HIS A 50 -3.740 9.072 2.376 1.00 0.00 C ATOM 735 ND1 HIS A 50 -2.600 9.797 2.103 1.00 0.00 N ATOM 736 CD2 HIS A 50 -4.762 9.754 1.807 1.00 0.00 C ATOM 737 CE1 HIS A 50 -2.921 10.869 1.401 1.00 0.00 C ATOM 738 NE2 HIS A 50 -4.226 10.867 1.207 1.00 0.00 N ATOM 0 H HIS A 50 -4.558 10.012 4.546 1.00 0.00 H new ATOM 0 HA HIS A 50 -5.151 7.109 4.627 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.700 7.487 3.325 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -4.220 7.018 2.590 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -1.656 9.545 2.397 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -5.805 9.475 1.822 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.231 11.620 1.046 1.00 0.00 H new ATOM 747 N ARG A 51 -2.260 8.442 5.488 1.00 0.00 N ATOM 748 CA ARG A 51 -1.204 8.405 6.492 1.00 0.00 C ATOM 749 C ARG A 51 -0.045 9.316 6.089 1.00 0.00 C ATOM 750 O ARG A 51 -0.229 10.246 5.305 1.00 0.00 O ATOM 751 CB ARG A 51 -0.719 6.963 6.705 1.00 0.00 C ATOM 752 CG ARG A 51 0.133 6.413 5.568 1.00 0.00 C ATOM 753 CD ARG A 51 1.303 5.597 6.097 1.00 0.00 C ATOM 754 NE ARG A 51 0.895 4.672 7.154 1.00 0.00 N ATOM 755 CZ ARG A 51 1.057 4.902 8.457 1.00 0.00 C ATOM 756 NH1 ARG A 51 1.614 6.032 8.880 1.00 0.00 N ATOM 757 NH2 ARG A 51 0.659 3.999 9.343 1.00 0.00 N ATOM 0 H ARG A 51 -2.040 9.002 4.664 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.609 8.772 7.435 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.143 6.919 7.629 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.586 6.317 6.839 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.482 5.791 4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.507 7.237 4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.753 5.035 5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.070 6.270 6.481 1.00 0.00 H new ATOM 0 HE ARG A 51 0.458 3.793 6.876 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.922 6.733 8.206 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.734 6.199 9.879 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.229 3.129 9.027 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.783 4.174 10.340 1.00 0.00 H new ATOM 771 N ARG A 52 1.143 9.049 6.629 1.00 0.00 N ATOM 772 CA ARG A 52 2.323 9.852 6.320 1.00 0.00 C ATOM 773 C ARG A 52 2.553 9.938 4.813 1.00 0.00 C ATOM 774 O ARG A 52 3.286 9.135 4.240 1.00 0.00 O ATOM 775 CB ARG A 52 3.559 9.260 7.002 1.00 0.00 C ATOM 776 CG ARG A 52 3.816 9.824 8.391 1.00 0.00 C ATOM 777 CD ARG A 52 2.610 9.640 9.298 1.00 0.00 C ATOM 778 NE ARG A 52 1.694 10.776 9.227 1.00 0.00 N ATOM 779 CZ ARG A 52 0.521 10.823 9.856 1.00 0.00 C ATOM 780 NH1 ARG A 52 0.120 9.801 10.603 1.00 0.00 N ATOM 781 NH2 ARG A 52 -0.251 11.894 9.738 1.00 0.00 N ATOM 0 H ARG A 52 1.313 8.284 7.282 1.00 0.00 H new ATOM 0 HA ARG A 52 2.151 10.860 6.698 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.441 8.179 7.074 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.432 9.445 6.377 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.682 9.330 8.831 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.058 10.884 8.316 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.081 8.729 9.017 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.946 9.509 10.327 1.00 0.00 H new ATOM 0 HE ARG A 52 1.969 11.580 8.663 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.711 8.975 10.697 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.779 9.842 11.083 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.053 12.682 9.166 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.149 11.931 10.219 1.00 0.00 H new ATOM 795 N ILE A 53 1.912 10.915 4.181 1.00 0.00 N ATOM 796 CA ILE A 53 2.035 11.113 2.742 1.00 0.00 C ATOM 797 C ILE A 53 3.484 11.297 2.320 1.00 0.00 C ATOM 798 O ILE A 53 4.350 11.567 3.149 1.00 0.00 O ATOM 799 CB ILE A 53 1.234 12.342 2.271 1.00 0.00 C ATOM 800 CG1 ILE A 53 1.668 13.588 3.042 1.00 0.00 C ATOM 801 CG2 ILE A 53 -0.251 12.088 2.431 1.00 0.00 C ATOM 802 CD1 ILE A 53 1.497 14.872 2.263 1.00 0.00 C ATOM 0 H ILE A 53 1.299 11.585 4.646 1.00 0.00 H new ATOM 0 HA ILE A 53 1.634 10.212 2.277 1.00 0.00 H new ATOM 0 HB ILE A 53 1.437 12.515 1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.091 13.653 3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.715 13.482 3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.808 12.963 2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.539 11.223 1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.476 11.895 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.825 15.714 2.873 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.095 14.828 1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.447 15.001 2.001 1.00 0.00 H new ATOM 814 N PRO A 54 3.754 11.150 1.010 1.00 0.00 N ATOM 815 CA PRO A 54 5.100 11.302 0.432 1.00 0.00 C ATOM 816 C PRO A 54 5.732 12.653 0.759 1.00 0.00 C ATOM 817 O PRO A 54 5.988 13.465 -0.131 1.00 0.00 O ATOM 818 CB PRO A 54 4.844 11.186 -1.079 1.00 0.00 C ATOM 819 CG PRO A 54 3.388 11.449 -1.231 1.00 0.00 C ATOM 820 CD PRO A 54 2.767 10.821 -0.030 1.00 0.00 C ATOM 0 HA PRO A 54 5.798 10.563 0.826 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.438 11.908 -1.639 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.110 10.197 -1.452 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.180 12.518 -1.272 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.000 11.013 -2.152 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.784 11.237 0.190 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.638 9.745 -0.149 1.00 0.00 H new ATOM 828 N LEU A 55 5.979 12.885 2.040 1.00 0.00 N ATOM 829 CA LEU A 55 6.578 14.131 2.495 1.00 0.00 C ATOM 830 C LEU A 55 7.404 13.908 3.761 1.00 0.00 C ATOM 831 O LEU A 55 8.443 14.540 3.954 1.00 0.00 O ATOM 832 CB LEU A 55 5.485 15.173 2.751 1.00 0.00 C ATOM 833 CG LEU A 55 5.938 16.423 3.511 1.00 0.00 C ATOM 834 CD1 LEU A 55 5.639 17.680 2.705 1.00 0.00 C ATOM 835 CD2 LEU A 55 5.265 16.492 4.875 1.00 0.00 C ATOM 0 H LEU A 55 5.772 12.222 2.787 1.00 0.00 H new ATOM 0 HA LEU A 55 7.245 14.498 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.069 15.482 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.679 14.700 3.311 1.00 0.00 H new ATOM 0 HG LEU A 55 7.016 16.360 3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.968 18.557 3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.167 17.636 1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.567 17.748 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.599 17.387 5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.183 16.530 4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.530 15.609 5.457 1.00 0.00 H new ATOM 847 N TYR A 56 6.934 13.010 4.621 1.00 0.00 N ATOM 848 CA TYR A 56 7.627 12.706 5.868 1.00 0.00 C ATOM 849 C TYR A 56 8.565 11.515 5.693 1.00 0.00 C ATOM 850 O TYR A 56 9.721 11.561 6.114 1.00 0.00 O ATOM 851 CB TYR A 56 6.621 12.415 6.986 1.00 0.00 C ATOM 852 CG TYR A 56 5.311 13.157 6.836 1.00 0.00 C ATOM 853 CD1 TYR A 56 4.309 12.663 6.014 1.00 0.00 C ATOM 854 CD2 TYR A 56 5.081 14.348 7.509 1.00 0.00 C ATOM 855 CE1 TYR A 56 3.114 13.334 5.867 1.00 0.00 C ATOM 856 CE2 TYR A 56 3.886 15.027 7.367 1.00 0.00 C ATOM 857 CZ TYR A 56 2.906 14.515 6.544 1.00 0.00 C ATOM 858 OH TYR A 56 1.714 15.187 6.399 1.00 0.00 O ATOM 0 H TYR A 56 6.075 12.479 4.477 1.00 0.00 H new ATOM 0 HA TYR A 56 8.219 13.579 6.143 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.420 11.344 7.012 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.070 12.679 7.944 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.468 11.738 5.480 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.848 14.751 8.154 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.344 12.935 5.223 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.721 15.953 7.898 1.00 0.00 H new ATOM 0 HH TYR A 56 1.729 16.001 6.945 1.00 0.00 H new ATOM 868 N TYR A 57 8.066 10.452 5.067 1.00 0.00 N ATOM 869 CA TYR A 57 8.878 9.259 4.845 1.00 0.00 C ATOM 870 C TYR A 57 9.802 9.453 3.643 1.00 0.00 C ATOM 871 O TYR A 57 9.514 10.253 2.752 1.00 0.00 O ATOM 872 CB TYR A 57 7.987 8.028 4.652 1.00 0.00 C ATOM 873 CG TYR A 57 7.167 8.047 3.382 1.00 0.00 C ATOM 874 CD1 TYR A 57 7.667 7.511 2.202 1.00 0.00 C ATOM 875 CD2 TYR A 57 5.890 8.591 3.366 1.00 0.00 C ATOM 876 CE1 TYR A 57 6.915 7.518 1.041 1.00 0.00 C ATOM 877 CE2 TYR A 57 5.134 8.601 2.208 1.00 0.00 C ATOM 878 CZ TYR A 57 5.652 8.064 1.050 1.00 0.00 C ATOM 879 OH TYR A 57 4.904 8.076 -0.106 1.00 0.00 O ATOM 0 H TYR A 57 7.113 10.392 4.708 1.00 0.00 H new ATOM 0 HA TYR A 57 9.497 9.096 5.727 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.614 7.136 4.653 1.00 0.00 H new ATOM 0 HB3 TYR A 57 7.313 7.944 5.505 1.00 0.00 H new ATOM 0 HD1 TYR A 57 8.658 7.082 2.191 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.481 9.013 4.272 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.317 7.097 0.132 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.142 9.028 2.212 1.00 0.00 H new ATOM 0 HH TYR A 57 5.485 7.890 -0.873 1.00 0.00 H new ATOM 889 N PRO A 58 10.937 8.730 3.611 1.00 0.00 N ATOM 890 CA PRO A 58 11.917 8.839 2.520 1.00 0.00 C ATOM 891 C PRO A 58 11.399 8.296 1.188 1.00 0.00 C ATOM 892 O PRO A 58 12.003 7.397 0.602 1.00 0.00 O ATOM 893 CB PRO A 58 13.097 7.999 3.018 1.00 0.00 C ATOM 894 CG PRO A 58 12.499 7.036 3.984 1.00 0.00 C ATOM 895 CD PRO A 58 11.364 7.768 4.643 1.00 0.00 C ATOM 0 HA PRO A 58 12.167 9.879 2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.588 7.480 2.195 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.852 8.622 3.497 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.143 6.141 3.474 1.00 0.00 H new ATOM 0 HG3 PRO A 58 13.235 6.712 4.720 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.556 7.091 4.921 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.685 8.272 5.554 1.00 0.00 H new ATOM 903 N ASN A 59 10.289 8.865 0.713 1.00 0.00 N ATOM 904 CA ASN A 59 9.669 8.472 -0.559 1.00 0.00 C ATOM 905 C ASN A 59 10.089 7.069 -1.008 1.00 0.00 C ATOM 906 O ASN A 59 10.837 6.915 -1.975 1.00 0.00 O ATOM 907 CB ASN A 59 10.018 9.493 -1.644 1.00 0.00 C ATOM 908 CG ASN A 59 9.158 10.740 -1.560 1.00 0.00 C ATOM 909 OD1 ASN A 59 8.340 11.005 -2.441 1.00 0.00 O ATOM 910 ND2 ASN A 59 9.338 11.515 -0.494 1.00 0.00 N ATOM 0 H ASN A 59 9.792 9.612 1.198 1.00 0.00 H new ATOM 0 HA ASN A 59 8.591 8.450 -0.400 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.068 9.772 -1.553 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.894 9.034 -2.625 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.787 12.366 -0.383 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.027 11.258 0.213 1.00 0.00 H new ATOM 917 N ALA A 60 9.604 6.052 -0.301 1.00 0.00 N ATOM 918 CA ALA A 60 9.931 4.667 -0.627 1.00 0.00 C ATOM 919 C ALA A 60 9.566 4.338 -2.074 1.00 0.00 C ATOM 920 O ALA A 60 10.424 4.338 -2.954 1.00 0.00 O ATOM 921 CB ALA A 60 9.224 3.716 0.330 1.00 0.00 C ATOM 0 H ALA A 60 8.983 6.161 0.501 1.00 0.00 H new ATOM 0 HA ALA A 60 11.008 4.540 -0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.478 2.687 0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.542 3.925 1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.146 3.854 0.250 1.00 0.00 H new ATOM 927 N GLY A 61 8.288 4.056 -2.311 1.00 0.00 N ATOM 928 CA GLY A 61 7.838 3.730 -3.652 1.00 0.00 C ATOM 929 C GLY A 61 6.435 3.159 -3.675 1.00 0.00 C ATOM 930 O GLY A 61 6.170 2.179 -4.371 1.00 0.00 O ATOM 0 H GLY A 61 7.557 4.048 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.871 4.627 -4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.526 3.011 -4.097 1.00 0.00 H new ATOM 934 N LEU A 62 5.531 3.776 -2.921 1.00 0.00 N ATOM 935 CA LEU A 62 4.146 3.322 -2.872 1.00 0.00 C ATOM 936 C LEU A 62 3.556 3.279 -4.272 1.00 0.00 C ATOM 937 O LEU A 62 3.418 4.307 -4.933 1.00 0.00 O ATOM 938 CB LEU A 62 3.320 4.238 -1.970 1.00 0.00 C ATOM 939 CG LEU A 62 3.811 4.298 -0.524 1.00 0.00 C ATOM 940 CD1 LEU A 62 3.421 5.613 0.135 1.00 0.00 C ATOM 941 CD2 LEU A 62 3.282 3.114 0.276 1.00 0.00 C ATOM 0 H LEU A 62 5.731 4.588 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 62 4.122 2.315 -2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.329 5.245 -2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.284 3.899 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 62 4.899 4.242 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.784 5.627 1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.864 6.442 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.336 5.714 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.644 3.177 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.192 3.131 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.631 2.185 -0.175 1.00 0.00 H new ATOM 953 N THR A 63 3.233 2.078 -4.727 1.00 0.00 N ATOM 954 CA THR A 63 2.686 1.893 -6.061 1.00 0.00 C ATOM 955 C THR A 63 1.199 2.229 -6.123 1.00 0.00 C ATOM 956 O THR A 63 0.373 1.374 -6.442 1.00 0.00 O ATOM 957 CB THR A 63 2.927 0.463 -6.548 1.00 0.00 C ATOM 958 OG1 THR A 63 3.961 -0.157 -5.803 1.00 0.00 O ATOM 959 CG2 THR A 63 3.315 0.397 -8.005 1.00 0.00 C ATOM 0 H THR A 63 3.341 1.217 -4.191 1.00 0.00 H new ATOM 0 HA THR A 63 3.207 2.587 -6.721 1.00 0.00 H new ATOM 0 HB THR A 63 1.979 -0.056 -6.409 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.620 -0.977 -5.390 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.473 -0.642 -8.293 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.518 0.825 -8.613 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.235 0.961 -8.163 1.00 0.00 H new ATOM 967 N ARG A 64 0.873 3.493 -5.849 1.00 0.00 N ATOM 968 CA ARG A 64 -0.510 3.975 -5.911 1.00 0.00 C ATOM 969 C ARG A 64 -1.310 3.646 -4.638 1.00 0.00 C ATOM 970 O ARG A 64 -0.982 4.141 -3.560 1.00 0.00 O ATOM 971 CB ARG A 64 -1.201 3.432 -7.172 1.00 0.00 C ATOM 972 CG ARG A 64 -0.377 3.616 -8.437 1.00 0.00 C ATOM 973 CD ARG A 64 -0.036 2.282 -9.088 1.00 0.00 C ATOM 974 NE ARG A 64 -1.193 1.391 -9.152 1.00 0.00 N ATOM 975 CZ ARG A 64 -1.139 0.139 -9.599 1.00 0.00 C ATOM 976 NH1 ARG A 64 0.009 -0.374 -10.023 1.00 0.00 N ATOM 977 NH2 ARG A 64 -2.238 -0.603 -9.623 1.00 0.00 N ATOM 0 H ARG A 64 1.551 4.206 -5.580 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.479 5.063 -5.971 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.411 2.371 -7.035 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.161 3.933 -7.296 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.929 4.235 -9.144 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.543 4.149 -8.197 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.343 2.457 -10.095 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.763 1.798 -8.526 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.094 1.750 -8.836 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.857 0.192 -10.007 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.043 -1.335 -10.364 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.123 -0.214 -9.299 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.198 -1.563 -9.965 1.00 0.00 H new ATOM 991 N ASN A 65 -2.371 2.838 -4.760 1.00 0.00 N ATOM 992 CA ASN A 65 -3.203 2.496 -3.615 1.00 0.00 C ATOM 993 C ASN A 65 -3.389 0.991 -3.509 1.00 0.00 C ATOM 994 O ASN A 65 -4.386 0.516 -2.965 1.00 0.00 O ATOM 995 CB ASN A 65 -4.568 3.176 -3.744 1.00 0.00 C ATOM 996 CG ASN A 65 -5.364 2.665 -4.929 1.00 0.00 C ATOM 997 OD1 ASN A 65 -5.442 3.320 -5.969 1.00 0.00 O ATOM 998 ND2 ASN A 65 -5.959 1.488 -4.780 1.00 0.00 N ATOM 0 H ASN A 65 -2.667 2.414 -5.639 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.704 2.847 -2.712 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.139 3.013 -2.830 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.426 4.252 -3.843 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.507 1.093 -5.544 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.868 0.978 -3.901 1.00 0.00 H new ATOM 1005 N TYR A 66 -2.431 0.244 -4.033 1.00 0.00 N ATOM 1006 CA TYR A 66 -2.506 -1.203 -3.990 1.00 0.00 C ATOM 1007 C TYR A 66 -2.035 -1.722 -2.637 1.00 0.00 C ATOM 1008 O TYR A 66 -0.871 -1.555 -2.272 1.00 0.00 O ATOM 1009 CB TYR A 66 -1.683 -1.819 -5.131 1.00 0.00 C ATOM 1010 CG TYR A 66 -0.232 -2.062 -4.785 1.00 0.00 C ATOM 1011 CD1 TYR A 66 0.639 -1.002 -4.594 1.00 0.00 C ATOM 1012 CD2 TYR A 66 0.261 -3.352 -4.639 1.00 0.00 C ATOM 1013 CE1 TYR A 66 1.960 -1.216 -4.268 1.00 0.00 C ATOM 1014 CE2 TYR A 66 1.585 -3.576 -4.314 1.00 0.00 C ATOM 1015 CZ TYR A 66 2.431 -2.503 -4.129 1.00 0.00 C ATOM 1016 OH TYR A 66 3.750 -2.719 -3.804 1.00 0.00 O ATOM 0 H TYR A 66 -1.598 0.615 -4.490 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.546 -1.501 -4.124 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.139 -2.765 -5.423 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.733 -1.160 -5.998 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.276 0.009 -4.703 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.401 -4.193 -4.782 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.625 -0.377 -4.122 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.955 -4.585 -4.206 1.00 0.00 H new ATOM 0 HH TYR A 66 3.918 -3.683 -3.744 1.00 0.00 H new ATOM 1026 N CYS A 67 -2.956 -2.342 -1.898 1.00 0.00 N ATOM 1027 CA CYS A 67 -2.655 -2.899 -0.566 1.00 0.00 C ATOM 1028 C CYS A 67 -1.179 -3.275 -0.427 1.00 0.00 C ATOM 1029 O CYS A 67 -0.555 -3.734 -1.384 1.00 0.00 O ATOM 1030 CB CYS A 67 -3.533 -4.131 -0.303 1.00 0.00 C ATOM 1031 SG CYS A 67 -2.663 -5.733 -0.431 1.00 0.00 S ATOM 0 H CYS A 67 -3.923 -2.475 -2.196 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.873 -2.127 0.172 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.964 -4.046 0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.362 -4.126 -1.010 1.00 0.00 H new ATOM 1036 N ARG A 68 -0.628 -3.089 0.769 1.00 0.00 N ATOM 1037 CA ARG A 68 0.773 -3.421 1.014 1.00 0.00 C ATOM 1038 C ARG A 68 1.176 -3.119 2.452 1.00 0.00 C ATOM 1039 O ARG A 68 0.355 -2.694 3.266 1.00 0.00 O ATOM 1040 CB ARG A 68 1.679 -2.645 0.054 1.00 0.00 C ATOM 1041 CG ARG A 68 1.520 -1.136 0.156 1.00 0.00 C ATOM 1042 CD ARG A 68 2.167 -0.427 -1.023 1.00 0.00 C ATOM 1043 NE ARG A 68 3.506 -0.939 -1.305 1.00 0.00 N ATOM 1044 CZ ARG A 68 4.566 -0.704 -0.534 1.00 0.00 C ATOM 1045 NH1 ARG A 68 4.449 0.034 0.561 1.00 0.00 N ATOM 1046 NH2 ARG A 68 5.748 -1.209 -0.864 1.00 0.00 N ATOM 0 H ARG A 68 -1.124 -2.714 1.577 1.00 0.00 H new ATOM 0 HA ARG A 68 0.891 -4.491 0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.718 -2.907 0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.464 -2.957 -0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.461 -0.883 0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.969 -0.784 1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.540 -0.547 -1.906 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.224 0.642 -0.816 1.00 0.00 H new ATOM 0 HE ARG A 68 3.636 -1.509 -2.141 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.543 0.426 0.818 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.265 0.210 1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.843 -1.776 -1.707 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.561 -1.030 -0.275 1.00 0.00 H new ATOM 1060 N ASN A 69 2.451 -3.341 2.752 1.00 0.00 N ATOM 1061 CA ASN A 69 2.986 -3.093 4.086 1.00 0.00 C ATOM 1062 C ASN A 69 4.083 -2.030 4.033 1.00 0.00 C ATOM 1063 O ASN A 69 5.045 -2.163 3.278 1.00 0.00 O ATOM 1064 CB ASN A 69 3.543 -4.392 4.676 1.00 0.00 C ATOM 1065 CG ASN A 69 2.987 -4.690 6.056 1.00 0.00 C ATOM 1066 OD1 ASN A 69 2.749 -3.781 6.852 1.00 0.00 O ATOM 1067 ND2 ASN A 69 2.778 -5.969 6.344 1.00 0.00 N ATOM 0 H ASN A 69 3.137 -3.694 2.085 1.00 0.00 H new ATOM 0 HA ASN A 69 2.180 -2.729 4.723 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.309 -5.220 4.007 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.629 -4.325 4.732 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.405 -6.232 7.256 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.990 -6.689 5.653 1.00 0.00 H new ATOM 1074 N PRO A 70 3.957 -0.955 4.833 1.00 0.00 N ATOM 1075 CA PRO A 70 4.951 0.124 4.861 1.00 0.00 C ATOM 1076 C PRO A 70 6.291 -0.336 5.427 1.00 0.00 C ATOM 1077 O PRO A 70 7.327 0.274 5.165 1.00 0.00 O ATOM 1078 CB PRO A 70 4.316 1.176 5.774 1.00 0.00 C ATOM 1079 CG PRO A 70 3.364 0.414 6.629 1.00 0.00 C ATOM 1080 CD PRO A 70 2.847 -0.706 5.771 1.00 0.00 C ATOM 0 HA PRO A 70 5.177 0.493 3.860 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.069 1.683 6.376 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.801 1.943 5.195 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.861 0.027 7.519 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.549 1.052 6.971 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.614 -1.591 6.363 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.934 -0.423 5.248 1.00 0.00 H new ATOM 1088 N ASP A 71 6.263 -1.414 6.204 1.00 0.00 N ATOM 1089 CA ASP A 71 7.478 -1.953 6.805 1.00 0.00 C ATOM 1090 C ASP A 71 7.521 -3.473 6.680 1.00 0.00 C ATOM 1091 O ASP A 71 8.221 -4.015 5.826 1.00 0.00 O ATOM 1092 CB ASP A 71 7.567 -1.546 8.276 1.00 0.00 C ATOM 1093 CG ASP A 71 8.074 -0.128 8.455 1.00 0.00 C ATOM 1094 OD1 ASP A 71 9.304 0.077 8.377 1.00 0.00 O ATOM 1095 OD2 ASP A 71 7.241 0.777 8.672 1.00 0.00 O ATOM 0 H ASP A 71 5.414 -1.931 6.432 1.00 0.00 H new ATOM 0 HA ASP A 71 8.333 -1.540 6.269 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.583 -1.638 8.735 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.229 -2.234 8.801 1.00 0.00 H new ATOM 1100 N ALA A 72 6.768 -4.154 7.538 1.00 0.00 N ATOM 1101 CA ALA A 72 6.723 -5.612 7.524 1.00 0.00 C ATOM 1102 C ALA A 72 5.469 -6.127 8.235 1.00 0.00 C ATOM 1103 O ALA A 72 4.440 -5.452 8.241 1.00 0.00 O ATOM 1104 CB ALA A 72 7.985 -6.176 8.163 1.00 0.00 C ATOM 0 H ALA A 72 6.181 -3.720 8.251 1.00 0.00 H new ATOM 0 HA ALA A 72 6.676 -5.951 6.489 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.944 -7.265 8.149 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.858 -5.838 7.604 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.057 -5.829 9.194 1.00 0.00 H new ATOM 1110 N GLU A 73 5.564 -7.327 8.825 1.00 0.00 N ATOM 1111 CA GLU A 73 4.449 -7.957 9.543 1.00 0.00 C ATOM 1112 C GLU A 73 3.797 -9.039 8.688 1.00 0.00 C ATOM 1113 O GLU A 73 3.895 -9.020 7.460 1.00 0.00 O ATOM 1114 CB GLU A 73 3.396 -6.933 9.979 1.00 0.00 C ATOM 1115 CG GLU A 73 2.482 -7.432 11.086 1.00 0.00 C ATOM 1116 CD GLU A 73 3.238 -7.779 12.354 1.00 0.00 C ATOM 1117 OE1 GLU A 73 3.911 -6.885 12.907 1.00 0.00 O ATOM 1118 OE2 GLU A 73 3.156 -8.945 12.795 1.00 0.00 O ATOM 0 H GLU A 73 6.416 -7.887 8.817 1.00 0.00 H new ATOM 0 HA GLU A 73 4.866 -8.413 10.441 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.900 -6.027 10.316 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.790 -6.658 9.116 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.737 -6.668 11.309 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.942 -8.312 10.737 1.00 0.00 H new ATOM 1125 N ILE A 74 3.141 -9.987 9.348 1.00 0.00 N ATOM 1126 CA ILE A 74 2.480 -11.090 8.657 1.00 0.00 C ATOM 1127 C ILE A 74 1.460 -10.588 7.642 1.00 0.00 C ATOM 1128 O ILE A 74 1.402 -11.083 6.516 1.00 0.00 O ATOM 1129 CB ILE A 74 1.773 -12.029 9.651 1.00 0.00 C ATOM 1130 CG1 ILE A 74 0.772 -11.241 10.506 1.00 0.00 C ATOM 1131 CG2 ILE A 74 2.799 -12.738 10.521 1.00 0.00 C ATOM 1132 CD1 ILE A 74 0.144 -12.056 11.620 1.00 0.00 C ATOM 0 H ILE A 74 3.052 -10.014 10.364 1.00 0.00 H new ATOM 0 HA ILE A 74 3.262 -11.640 8.133 1.00 0.00 H new ATOM 0 HB ILE A 74 1.219 -12.785 9.095 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.279 -10.379 10.940 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.018 -10.855 9.861 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.288 -13.400 11.220 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.468 -13.324 9.891 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.377 -12.000 11.077 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.552 -11.431 12.180 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.392 -12.903 11.193 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.924 -12.420 12.289 1.00 0.00 H new ATOM 1144 N ARG A 75 0.652 -9.615 8.044 1.00 0.00 N ATOM 1145 CA ARG A 75 -0.366 -9.064 7.158 1.00 0.00 C ATOM 1146 C ARG A 75 -0.285 -7.540 7.109 1.00 0.00 C ATOM 1147 O ARG A 75 -0.052 -6.890 8.128 1.00 0.00 O ATOM 1148 CB ARG A 75 -1.759 -9.501 7.618 1.00 0.00 C ATOM 1149 CG ARG A 75 -2.495 -10.348 6.595 1.00 0.00 C ATOM 1150 CD ARG A 75 -3.872 -10.755 7.094 1.00 0.00 C ATOM 1151 NE ARG A 75 -3.810 -11.909 7.989 1.00 0.00 N ATOM 1152 CZ ARG A 75 -4.850 -12.694 8.258 1.00 0.00 C ATOM 1153 NH1 ARG A 75 -6.034 -12.455 7.708 1.00 0.00 N ATOM 1154 NH2 ARG A 75 -4.705 -13.723 9.083 1.00 0.00 N ATOM 0 H ARG A 75 0.681 -9.193 8.972 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.184 -9.447 6.154 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.666 -10.065 8.546 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.354 -8.615 7.841 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.595 -9.790 5.664 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.910 -11.240 6.371 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.331 -9.916 7.616 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.511 -10.990 6.243 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.918 -12.125 8.433 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.152 -11.665 7.074 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.826 -13.062 7.919 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.798 -13.911 9.509 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.501 -14.326 9.291 1.00 0.00 H new ATOM 1168 N PRO A 76 -0.482 -6.947 5.918 1.00 0.00 N ATOM 1169 CA PRO A 76 -0.436 -5.493 5.747 1.00 0.00 C ATOM 1170 C PRO A 76 -1.526 -4.796 6.551 1.00 0.00 C ATOM 1171 O PRO A 76 -2.289 -5.441 7.268 1.00 0.00 O ATOM 1172 CB PRO A 76 -0.668 -5.292 4.246 1.00 0.00 C ATOM 1173 CG PRO A 76 -1.327 -6.545 3.787 1.00 0.00 C ATOM 1174 CD PRO A 76 -0.773 -7.641 4.652 1.00 0.00 C ATOM 0 HA PRO A 76 0.505 -5.070 6.098 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.298 -4.423 4.057 1.00 0.00 H new ATOM 0 HB3 PRO A 76 0.272 -5.125 3.720 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.410 -6.477 3.889 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.117 -6.734 2.734 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.492 -8.449 4.790 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.124 -8.083 4.218 1.00 0.00 H new ATOM 1182 N TRP A 77 -1.596 -3.476 6.429 1.00 0.00 N ATOM 1183 CA TRP A 77 -2.599 -2.698 7.146 1.00 0.00 C ATOM 1184 C TRP A 77 -2.787 -1.338 6.503 1.00 0.00 C ATOM 1185 O TRP A 77 -2.075 -0.382 6.812 1.00 0.00 O ATOM 1186 CB TRP A 77 -2.228 -2.543 8.629 1.00 0.00 C ATOM 1187 CG TRP A 77 -0.825 -2.959 8.964 1.00 0.00 C ATOM 1188 CD1 TRP A 77 -0.381 -4.226 9.222 1.00 0.00 C ATOM 1189 CD2 TRP A 77 0.317 -2.102 9.090 1.00 0.00 C ATOM 1190 NE1 TRP A 77 0.966 -4.209 9.492 1.00 0.00 N ATOM 1191 CE2 TRP A 77 1.417 -2.917 9.419 1.00 0.00 C ATOM 1192 CE3 TRP A 77 0.517 -0.725 8.954 1.00 0.00 C ATOM 1193 CZ2 TRP A 77 2.695 -2.401 9.614 1.00 0.00 C ATOM 1194 CZ3 TRP A 77 1.785 -0.215 9.148 1.00 0.00 C ATOM 1195 CH2 TRP A 77 2.860 -1.050 9.474 1.00 0.00 C ATOM 0 H TRP A 77 -0.972 -2.923 5.842 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.542 -3.242 7.088 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.364 -1.501 8.918 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -2.922 -3.133 9.228 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -0.999 -5.112 9.215 1.00 0.00 H new ATOM 0 HE1 TRP A 77 1.537 -5.025 9.711 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.306 -0.072 8.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 3.526 -3.043 9.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.951 0.847 9.046 1.00 0.00 H new ATOM 0 HH2 TRP A 77 3.840 -0.619 9.618 1.00 0.00 H new ATOM 1206 N CYS A 78 -3.755 -1.264 5.604 1.00 0.00 N ATOM 1207 CA CYS A 78 -4.054 -0.029 4.902 1.00 0.00 C ATOM 1208 C CYS A 78 -5.559 0.164 4.786 1.00 0.00 C ATOM 1209 O CYS A 78 -6.325 -0.798 4.860 1.00 0.00 O ATOM 1210 CB CYS A 78 -3.408 -0.042 3.516 1.00 0.00 C ATOM 1211 SG CYS A 78 -3.293 -1.702 2.770 1.00 0.00 S ATOM 0 H CYS A 78 -4.350 -2.051 5.343 1.00 0.00 H new ATOM 0 HA CYS A 78 -3.643 0.805 5.470 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -3.982 0.605 2.852 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.407 0.383 3.588 1.00 0.00 H new ATOM 1216 N TYR A 79 -5.979 1.409 4.618 1.00 0.00 N ATOM 1217 CA TYR A 79 -7.397 1.728 4.505 1.00 0.00 C ATOM 1218 C TYR A 79 -7.995 1.069 3.260 1.00 0.00 C ATOM 1219 O TYR A 79 -7.551 -0.005 2.858 1.00 0.00 O ATOM 1220 CB TYR A 79 -7.587 3.249 4.478 1.00 0.00 C ATOM 1221 CG TYR A 79 -6.858 3.989 5.589 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -6.187 3.309 6.607 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -6.843 5.379 5.617 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -5.531 3.994 7.612 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -6.188 6.067 6.621 1.00 0.00 C ATOM 1226 CZ TYR A 79 -5.535 5.372 7.614 1.00 0.00 C ATOM 1227 OH TYR A 79 -4.882 6.056 8.612 1.00 0.00 O ATOM 0 H TYR A 79 -5.359 2.216 4.557 1.00 0.00 H new ATOM 0 HA TYR A 79 -7.925 1.333 5.373 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.243 3.630 3.517 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.652 3.472 4.546 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.180 2.229 6.609 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.352 5.931 4.841 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.018 3.452 8.392 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.188 7.147 6.627 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.367 6.792 8.221 1.00 0.00 H new ATOM 1237 N THR A 80 -9.002 1.699 2.649 1.00 0.00 N ATOM 1238 CA THR A 80 -9.635 1.146 1.461 1.00 0.00 C ATOM 1239 C THR A 80 -10.328 2.237 0.653 1.00 0.00 C ATOM 1240 O THR A 80 -10.585 3.330 1.157 1.00 0.00 O ATOM 1241 CB THR A 80 -10.651 0.053 1.834 1.00 0.00 C ATOM 1242 OG1 THR A 80 -11.955 0.595 1.957 1.00 0.00 O ATOM 1243 CG2 THR A 80 -10.335 -0.664 3.132 1.00 0.00 C ATOM 0 H THR A 80 -9.391 2.589 2.960 1.00 0.00 H new ATOM 0 HA THR A 80 -8.849 0.701 0.850 1.00 0.00 H new ATOM 0 HB THR A 80 -10.592 -0.668 1.019 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.956 1.291 2.647 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.097 -1.419 3.325 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.360 -1.144 3.054 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.321 0.055 3.951 1.00 0.00 H new ATOM 1251 N MET A 81 -10.636 1.927 -0.600 1.00 0.00 N ATOM 1252 CA MET A 81 -11.307 2.872 -1.484 1.00 0.00 C ATOM 1253 C MET A 81 -12.649 3.307 -0.895 1.00 0.00 C ATOM 1254 O MET A 81 -13.185 4.354 -1.257 1.00 0.00 O ATOM 1255 CB MET A 81 -11.512 2.244 -2.864 1.00 0.00 C ATOM 1256 CG MET A 81 -12.325 3.105 -3.819 1.00 0.00 C ATOM 1257 SD MET A 81 -11.658 4.771 -3.994 1.00 0.00 S ATOM 1258 CE MET A 81 -9.906 4.426 -4.135 1.00 0.00 C ATOM 0 H MET A 81 -10.431 1.024 -1.029 1.00 0.00 H new ATOM 0 HA MET A 81 -10.677 3.756 -1.586 1.00 0.00 H new ATOM 0 HB2 MET A 81 -10.538 2.045 -3.310 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.010 1.282 -2.744 1.00 0.00 H new ATOM 0 HG2 MET A 81 -12.355 2.626 -4.797 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.353 3.165 -3.462 1.00 0.00 H new ATOM 0 HE1 MET A 81 -9.388 5.315 -4.494 1.00 0.00 H new ATOM 0 HE2 MET A 81 -9.511 4.145 -3.159 1.00 0.00 H new ATOM 0 HE3 MET A 81 -9.752 3.608 -4.838 1.00 0.00 H new ATOM 1268 N ASP A 82 -13.185 2.500 0.016 1.00 0.00 N ATOM 1269 CA ASP A 82 -14.455 2.803 0.656 1.00 0.00 C ATOM 1270 C ASP A 82 -14.235 3.605 1.936 1.00 0.00 C ATOM 1271 O ASP A 82 -13.516 3.169 2.835 1.00 0.00 O ATOM 1272 CB ASP A 82 -15.211 1.511 0.973 1.00 0.00 C ATOM 1273 CG ASP A 82 -16.123 1.080 -0.159 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -15.644 1.003 -1.310 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -17.316 0.819 0.104 1.00 0.00 O ATOM 0 H ASP A 82 -12.755 1.629 0.327 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.050 3.403 -0.033 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.495 0.716 1.181 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.802 1.652 1.878 1.00 0.00 H new ATOM 1280 N PRO A 83 -14.850 4.796 2.036 1.00 0.00 N ATOM 1281 CA PRO A 83 -14.713 5.661 3.215 1.00 0.00 C ATOM 1282 C PRO A 83 -15.412 5.100 4.453 1.00 0.00 C ATOM 1283 O PRO A 83 -15.318 5.676 5.537 1.00 0.00 O ATOM 1284 CB PRO A 83 -15.382 6.964 2.772 1.00 0.00 C ATOM 1285 CG PRO A 83 -16.354 6.550 1.724 1.00 0.00 C ATOM 1286 CD PRO A 83 -15.720 5.395 1.009 1.00 0.00 C ATOM 0 HA PRO A 83 -13.670 5.771 3.513 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -15.883 7.455 3.606 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.651 7.671 2.378 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -17.306 6.260 2.167 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -16.560 7.370 1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -16.466 4.686 0.650 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -15.149 5.724 0.141 1.00 0.00 H new ATOM 1294 N SER A 84 -16.115 3.981 4.291 1.00 0.00 N ATOM 1295 CA SER A 84 -16.825 3.360 5.404 1.00 0.00 C ATOM 1296 C SER A 84 -15.976 2.279 6.072 1.00 0.00 C ATOM 1297 O SER A 84 -16.505 1.302 6.600 1.00 0.00 O ATOM 1298 CB SER A 84 -18.144 2.756 4.919 1.00 0.00 C ATOM 1299 OG SER A 84 -18.061 2.377 3.556 1.00 0.00 O ATOM 0 H SER A 84 -16.207 3.488 3.403 1.00 0.00 H new ATOM 0 HA SER A 84 -17.031 4.136 6.141 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.395 1.887 5.527 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.949 3.479 5.050 1.00 0.00 H new ATOM 0 HG SER A 84 -18.916 1.992 3.271 1.00 0.00 H new ATOM 1305 N VAL A 85 -14.659 2.463 6.050 1.00 0.00 N ATOM 1306 CA VAL A 85 -13.742 1.503 6.659 1.00 0.00 C ATOM 1307 C VAL A 85 -12.733 2.202 7.555 1.00 0.00 C ATOM 1308 O VAL A 85 -12.726 2.008 8.771 1.00 0.00 O ATOM 1309 CB VAL A 85 -12.962 0.696 5.605 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -12.445 -0.601 6.202 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -13.819 0.426 4.380 1.00 0.00 C ATOM 0 H VAL A 85 -14.203 3.267 5.618 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.363 0.825 7.244 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.106 1.291 5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.896 -1.158 5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.782 -0.378 7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -13.285 -1.199 6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -13.243 -0.145 3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -14.702 -0.143 4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -14.128 1.372 3.936 1.00 0.00 H new ATOM 1321 N ARG A 86 -11.866 3.002 6.932 1.00 0.00 N ATOM 1322 CA ARG A 86 -10.818 3.734 7.639 1.00 0.00 C ATOM 1323 C ARG A 86 -9.581 2.859 7.834 1.00 0.00 C ATOM 1324 O ARG A 86 -8.466 3.365 7.926 1.00 0.00 O ATOM 1325 CB ARG A 86 -11.314 4.253 8.995 1.00 0.00 C ATOM 1326 CG ARG A 86 -12.697 4.881 8.940 1.00 0.00 C ATOM 1327 CD ARG A 86 -13.577 4.402 10.083 1.00 0.00 C ATOM 1328 NE ARG A 86 -13.577 5.339 11.204 1.00 0.00 N ATOM 1329 CZ ARG A 86 -14.084 6.569 11.141 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -14.630 7.013 10.015 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -14.043 7.358 12.205 1.00 0.00 N ATOM 0 H ARG A 86 -11.872 3.159 5.924 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.549 4.592 7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.327 3.428 9.707 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.605 4.989 9.374 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.606 5.966 8.981 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.170 4.637 7.989 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.597 4.267 9.723 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.228 3.428 10.425 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.165 5.034 12.086 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.663 6.411 9.192 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.017 7.956 9.973 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.623 7.023 13.072 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.431 8.300 12.157 1.00 0.00 H new ATOM 1345 N TRP A 87 -9.785 1.543 7.893 1.00 0.00 N ATOM 1346 CA TRP A 87 -8.678 0.605 8.069 1.00 0.00 C ATOM 1347 C TRP A 87 -9.126 -0.822 7.744 1.00 0.00 C ATOM 1348 O TRP A 87 -10.231 -1.229 8.104 1.00 0.00 O ATOM 1349 CB TRP A 87 -8.121 0.709 9.498 1.00 0.00 C ATOM 1350 CG TRP A 87 -7.710 -0.598 10.104 1.00 0.00 C ATOM 1351 CD1 TRP A 87 -8.529 -1.627 10.469 1.00 0.00 C ATOM 1352 CD2 TRP A 87 -6.379 -1.011 10.422 1.00 0.00 C ATOM 1353 NE1 TRP A 87 -7.786 -2.656 10.991 1.00 0.00 N ATOM 1354 CE2 TRP A 87 -6.463 -2.302 10.974 1.00 0.00 C ATOM 1355 CE3 TRP A 87 -5.122 -0.415 10.293 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 -5.340 -3.004 11.394 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 -4.007 -1.113 10.712 1.00 0.00 C ATOM 1358 CH2 TRP A 87 -4.122 -2.398 11.257 1.00 0.00 C ATOM 0 H TRP A 87 -10.703 1.104 7.822 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.878 0.864 7.375 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -7.260 1.378 9.491 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -8.876 1.169 10.136 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.604 -1.631 10.363 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -8.159 -3.541 11.336 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -5.024 0.575 9.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.426 -3.995 11.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.031 -0.661 10.618 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.232 -2.920 11.575 1.00 0.00 H new ATOM 1369 N GLU A 88 -8.261 -1.578 7.075 1.00 0.00 N ATOM 1370 CA GLU A 88 -8.576 -2.958 6.717 1.00 0.00 C ATOM 1371 C GLU A 88 -7.313 -3.734 6.354 1.00 0.00 C ATOM 1372 O GLU A 88 -6.298 -3.145 5.980 1.00 0.00 O ATOM 1373 CB GLU A 88 -9.564 -2.995 5.552 1.00 0.00 C ATOM 1374 CG GLU A 88 -10.953 -3.470 5.948 1.00 0.00 C ATOM 1375 CD GLU A 88 -11.904 -3.535 4.769 1.00 0.00 C ATOM 1376 OE1 GLU A 88 -11.422 -3.580 3.618 1.00 0.00 O ATOM 1377 OE2 GLU A 88 -13.132 -3.542 4.998 1.00 0.00 O ATOM 0 H GLU A 88 -7.341 -1.261 6.771 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.032 -3.433 7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.640 -1.998 5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.172 -3.651 4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.879 -4.457 6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.361 -2.798 6.703 1.00 0.00 H new ATOM 1384 N TYR A 89 -7.390 -5.057 6.444 1.00 0.00 N ATOM 1385 CA TYR A 89 -6.259 -5.912 6.100 1.00 0.00 C ATOM 1386 C TYR A 89 -6.330 -6.294 4.630 1.00 0.00 C ATOM 1387 O TYR A 89 -7.318 -5.999 3.960 1.00 0.00 O ATOM 1388 CB TYR A 89 -6.251 -7.169 6.968 1.00 0.00 C ATOM 1389 CG TYR A 89 -5.926 -6.890 8.416 1.00 0.00 C ATOM 1390 CD1 TYR A 89 -6.721 -6.038 9.170 1.00 0.00 C ATOM 1391 CD2 TYR A 89 -4.825 -7.474 9.028 1.00 0.00 C ATOM 1392 CE1 TYR A 89 -6.429 -5.775 10.491 1.00 0.00 C ATOM 1393 CE2 TYR A 89 -4.525 -7.217 10.350 1.00 0.00 C ATOM 1394 CZ TYR A 89 -5.330 -6.366 11.079 1.00 0.00 C ATOM 1395 OH TYR A 89 -5.036 -6.107 12.398 1.00 0.00 O ATOM 0 H TYR A 89 -8.222 -5.560 6.752 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.337 -5.361 6.284 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.227 -7.651 6.908 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.522 -7.874 6.568 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.583 -5.573 8.714 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.193 -8.140 8.460 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.058 -5.109 11.063 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.665 -7.679 10.812 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.231 -6.603 12.657 1.00 0.00 H new ATOM 1405 N CYS A 90 -5.291 -6.948 4.126 1.00 0.00 N ATOM 1406 CA CYS A 90 -5.270 -7.359 2.728 1.00 0.00 C ATOM 1407 C CYS A 90 -5.428 -8.870 2.597 1.00 0.00 C ATOM 1408 O CYS A 90 -5.136 -9.617 3.531 1.00 0.00 O ATOM 1409 CB CYS A 90 -3.976 -6.914 2.047 1.00 0.00 C ATOM 1410 SG CYS A 90 -4.015 -7.089 0.233 1.00 0.00 S ATOM 0 H CYS A 90 -4.459 -7.203 4.658 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.113 -6.876 2.233 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -3.781 -5.872 2.300 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.146 -7.499 2.443 1.00 0.00 H new ATOM 1415 N ASN A 91 -5.886 -9.314 1.426 1.00 0.00 N ATOM 1416 CA ASN A 91 -6.077 -10.741 1.164 1.00 0.00 C ATOM 1417 C ASN A 91 -4.856 -11.536 1.621 1.00 0.00 C ATOM 1418 O ASN A 91 -3.857 -11.621 0.907 1.00 0.00 O ATOM 1419 CB ASN A 91 -6.333 -10.990 -0.328 1.00 0.00 C ATOM 1420 CG ASN A 91 -5.633 -9.988 -1.227 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -6.244 -9.412 -2.127 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -4.346 -9.774 -0.984 1.00 0.00 N ATOM 0 H ASN A 91 -6.131 -8.706 0.644 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.948 -11.074 1.728 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.999 -11.995 -0.585 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.406 -10.952 -0.518 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.823 -9.109 -1.554 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.880 -10.274 -0.227 1.00 0.00 H new ATOM 1429 N LEU A 92 -4.938 -12.099 2.822 1.00 0.00 N ATOM 1430 CA LEU A 92 -3.840 -12.860 3.394 1.00 0.00 C ATOM 1431 C LEU A 92 -4.337 -13.820 4.479 1.00 0.00 C ATOM 1432 O LEU A 92 -4.867 -13.389 5.504 1.00 0.00 O ATOM 1433 CB LEU A 92 -2.812 -11.899 4.000 1.00 0.00 C ATOM 1434 CG LEU A 92 -1.714 -11.416 3.046 1.00 0.00 C ATOM 1435 CD1 LEU A 92 -2.153 -10.159 2.307 1.00 0.00 C ATOM 1436 CD2 LEU A 92 -0.426 -11.155 3.811 1.00 0.00 C ATOM 0 H LEU A 92 -5.762 -12.040 3.420 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.382 -13.447 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.340 -11.028 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.339 -12.390 4.850 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.533 -12.200 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.358 -9.835 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.052 -10.372 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.364 -9.369 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.344 -10.813 3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.601 -10.390 4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.097 -12.075 4.294 1.00 0.00 H new ATOM 1448 N THR A 93 -4.141 -15.114 4.255 1.00 0.00 N ATOM 1449 CA THR A 93 -4.542 -16.136 5.216 1.00 0.00 C ATOM 1450 C THR A 93 -3.502 -17.240 5.275 1.00 0.00 C ATOM 1451 O THR A 93 -2.997 -17.688 4.246 1.00 0.00 O ATOM 1452 CB THR A 93 -5.912 -16.731 4.870 1.00 0.00 C ATOM 1453 OG1 THR A 93 -5.920 -17.295 3.574 1.00 0.00 O ATOM 1454 CG2 THR A 93 -7.023 -15.716 4.944 1.00 0.00 C ATOM 0 H THR A 93 -3.704 -15.483 3.410 1.00 0.00 H new ATOM 0 HA THR A 93 -4.619 -15.657 6.192 1.00 0.00 H new ATOM 0 HB THR A 93 -6.087 -17.504 5.619 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.489 -18.175 3.597 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.969 -16.193 4.689 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.081 -15.313 5.955 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.824 -14.907 4.241 1.00 0.00 H new ATOM 1462 N ARG A 94 -3.178 -17.669 6.483 1.00 0.00 N ATOM 1463 CA ARG A 94 -2.192 -18.715 6.677 1.00 0.00 C ATOM 1464 C ARG A 94 -2.669 -20.033 6.078 1.00 0.00 C ATOM 1465 O ARG A 94 -3.630 -20.634 6.559 1.00 0.00 O ATOM 1466 CB ARG A 94 -1.908 -18.880 8.167 1.00 0.00 C ATOM 1467 CG ARG A 94 -0.441 -18.720 8.522 1.00 0.00 C ATOM 1468 CD ARG A 94 -0.259 -18.245 9.955 1.00 0.00 C ATOM 1469 NE ARG A 94 0.730 -19.045 10.675 1.00 0.00 N ATOM 1470 CZ ARG A 94 2.022 -19.087 10.360 1.00 0.00 C ATOM 1471 NH1 ARG A 94 2.486 -18.376 9.341 1.00 0.00 N ATOM 1472 NH2 ARG A 94 2.852 -19.840 11.067 1.00 0.00 N ATOM 0 H ARG A 94 -3.585 -17.307 7.345 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.274 -18.428 6.165 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.491 -18.147 8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.246 -19.866 8.487 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.072 -19.672 8.386 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.023 -18.007 7.840 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.051 -17.200 9.954 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.214 -18.294 10.477 1.00 0.00 H new ATOM 0 HE ARG A 94 0.411 -19.604 11.466 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.851 -17.793 8.795 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.477 -18.412 9.104 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.500 -20.387 11.853 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.842 -19.872 10.826 1.00 0.00 H new ATOM 1486 N CYS A 95 -1.991 -20.475 5.024 1.00 0.00 N ATOM 1487 CA CYS A 95 -2.345 -21.721 4.359 1.00 0.00 C ATOM 1488 C CYS A 95 -1.576 -22.896 4.955 1.00 0.00 C ATOM 1489 O CYS A 95 -0.449 -22.739 5.423 1.00 0.00 O ATOM 1490 CB CYS A 95 -2.082 -21.617 2.857 1.00 0.00 C ATOM 1491 SG CYS A 95 -3.591 -21.384 1.862 1.00 0.00 S ATOM 0 H CYS A 95 -1.194 -19.988 4.613 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.409 -21.899 4.516 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.404 -20.784 2.673 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.573 -22.521 2.523 1.00 0.00 H new ATOM 1496 N PRO A 96 -2.178 -24.099 4.946 1.00 0.00 N ATOM 1497 CA PRO A 96 -1.544 -25.304 5.487 1.00 0.00 C ATOM 1498 C PRO A 96 -0.388 -25.791 4.619 1.00 0.00 C ATOM 1499 O PRO A 96 -0.422 -25.665 3.396 1.00 0.00 O ATOM 1500 CB PRO A 96 -2.678 -26.331 5.491 1.00 0.00 C ATOM 1501 CG PRO A 96 -3.602 -25.879 4.414 1.00 0.00 C ATOM 1502 CD PRO A 96 -3.524 -24.375 4.405 1.00 0.00 C ATOM 0 HA PRO A 96 -1.107 -25.127 6.470 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.303 -27.336 5.295 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.181 -26.361 6.457 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -3.307 -26.291 3.449 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.621 -26.216 4.607 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.643 -23.972 3.399 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.304 -23.928 5.021 1.00 0.00 H new ATOM 1510 N VAL A 97 0.634 -26.346 5.262 1.00 0.00 N ATOM 1511 CA VAL A 97 1.802 -26.851 4.550 1.00 0.00 C ATOM 1512 C VAL A 97 1.501 -28.190 3.884 1.00 0.00 C ATOM 1513 O VAL A 97 0.690 -28.973 4.380 1.00 0.00 O ATOM 1514 CB VAL A 97 3.008 -27.018 5.493 1.00 0.00 C ATOM 1515 CG1 VAL A 97 3.560 -25.662 5.901 1.00 0.00 C ATOM 1516 CG2 VAL A 97 2.618 -27.836 6.715 1.00 0.00 C ATOM 0 H VAL A 97 0.677 -26.457 6.275 1.00 0.00 H new ATOM 0 HA VAL A 97 2.050 -26.114 3.786 1.00 0.00 H new ATOM 0 HB VAL A 97 3.793 -27.555 4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.411 -25.801 6.567 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.880 -25.117 5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.785 -25.094 6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.482 -27.945 7.371 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.816 -27.329 7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.276 -28.822 6.399 1.00 0.00 H new ATOM 1526 N THR A 98 2.160 -28.448 2.759 1.00 0.00 N ATOM 1527 CA THR A 98 1.963 -29.692 2.026 1.00 0.00 C ATOM 1528 C THR A 98 3.170 -30.003 1.146 1.00 0.00 C ATOM 1529 O THR A 98 3.645 -29.146 0.401 1.00 0.00 O ATOM 1530 CB THR A 98 0.700 -29.608 1.167 1.00 0.00 C ATOM 1531 OG1 THR A 98 0.487 -30.822 0.470 1.00 0.00 O ATOM 1532 CG2 THR A 98 0.744 -28.493 0.145 1.00 0.00 C ATOM 0 H THR A 98 2.835 -27.811 2.335 1.00 0.00 H new ATOM 0 HA THR A 98 1.848 -30.497 2.752 1.00 0.00 H new ATOM 0 HB THR A 98 -0.112 -29.406 1.866 1.00 0.00 H new ATOM 0 HG1 THR A 98 -0.326 -30.750 -0.072 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.182 -28.490 -0.430 1.00 0.00 H new ATOM 0 HG22 THR A 98 0.858 -27.536 0.655 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.588 -28.649 -0.527 1.00 0.00 H new ATOM 1540 N GLU A 99 3.661 -31.235 1.240 1.00 0.00 N ATOM 1541 CA GLU A 99 4.813 -31.659 0.452 1.00 0.00 C ATOM 1542 C GLU A 99 5.116 -33.135 0.683 1.00 0.00 C ATOM 1543 O GLU A 99 5.220 -33.914 -0.265 1.00 0.00 O ATOM 1544 CB GLU A 99 6.038 -30.813 0.805 1.00 0.00 C ATOM 1545 CG GLU A 99 6.233 -30.620 2.300 1.00 0.00 C ATOM 1546 CD GLU A 99 7.150 -29.455 2.621 1.00 0.00 C ATOM 1547 OE1 GLU A 99 8.302 -29.455 2.139 1.00 0.00 O ATOM 1548 OE2 GLU A 99 6.715 -28.542 3.355 1.00 0.00 O ATOM 0 H GLU A 99 3.280 -31.956 1.853 1.00 0.00 H new ATOM 0 HA GLU A 99 4.573 -31.517 -0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.928 -31.285 0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.944 -29.836 0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 99 5.264 -30.456 2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.646 -31.532 2.730 1.00 0.00 H new ATOM 1555 N SER A 100 5.256 -33.514 1.950 1.00 0.00 N ATOM 1556 CA SER A 100 5.546 -34.899 2.306 1.00 0.00 C ATOM 1557 C SER A 100 6.864 -35.355 1.686 1.00 0.00 C ATOM 1558 O SER A 100 6.882 -35.935 0.600 1.00 0.00 O ATOM 1559 CB SER A 100 4.409 -35.814 1.848 1.00 0.00 C ATOM 1560 OG SER A 100 3.148 -35.204 2.056 1.00 0.00 O ATOM 0 H SER A 100 5.173 -32.882 2.746 1.00 0.00 H new ATOM 0 HA SER A 100 5.636 -34.959 3.391 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.532 -36.051 0.791 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.455 -36.757 2.393 1.00 0.00 H new ATOM 0 HG SER A 100 2.438 -35.808 1.754 1.00 0.00 H new ATOM 1566 N SER A 101 7.964 -35.088 2.383 1.00 0.00 N ATOM 1567 CA SER A 101 9.285 -35.473 1.902 1.00 0.00 C ATOM 1568 C SER A 101 10.326 -35.350 3.010 1.00 0.00 C ATOM 1569 O SER A 101 11.486 -35.031 2.753 1.00 0.00 O ATOM 1570 CB SER A 101 9.689 -34.603 0.709 1.00 0.00 C ATOM 1571 OG SER A 101 10.451 -35.343 -0.229 1.00 0.00 O ATOM 0 H SER A 101 7.966 -34.607 3.282 1.00 0.00 H new ATOM 0 HA SER A 101 9.239 -36.515 1.586 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.796 -34.207 0.225 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.268 -33.748 1.058 1.00 0.00 H new ATOM 0 HG SER A 101 10.695 -34.765 -0.982 1.00 0.00 H new ATOM 1577 N VAL A 102 9.902 -35.608 4.243 1.00 0.00 N ATOM 1578 CA VAL A 102 10.795 -35.528 5.391 1.00 0.00 C ATOM 1579 C VAL A 102 10.254 -36.333 6.566 1.00 0.00 C ATOM 1580 O VAL A 102 10.600 -37.528 6.675 1.00 0.00 O ATOM 1581 CB VAL A 102 11.009 -34.069 5.837 1.00 0.00 C ATOM 1582 CG1 VAL A 102 11.938 -33.347 4.875 1.00 0.00 C ATOM 1583 CG2 VAL A 102 9.676 -33.344 5.948 1.00 0.00 C ATOM 1584 OXT VAL A 102 9.487 -35.761 7.372 1.00 0.00 O ATOM 0 H VAL A 102 8.944 -35.874 4.472 1.00 0.00 H new ATOM 0 HA VAL A 102 11.751 -35.947 5.077 1.00 0.00 H new ATOM 0 HB VAL A 102 11.477 -34.074 6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.077 -32.318 5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 102 12.903 -33.854 4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.502 -33.350 3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.847 -32.315 6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.178 -33.348 4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 102 9.047 -33.849 6.681 1.00 0.00 H new TER 1594 VAL A 102