USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 575 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 64 SER OG : rot -69:sc= 1.02 USER MOD Set 1.2: A 69 ASN : amide:sc= 0.699 X(o=1.7,f=2.2) USER MOD Set 2.1: A 61 TYR OH : rot 80:sc= 0.772 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 174:sc= 1.18 (180deg=0) USER MOD Set 3.1: A 18 CYS SG : rot 29:sc= 0.266 USER MOD Set 3.2: A 55 HIS : no HD1:sc= -0.226 X(o=0.58,f=0.23) USER MOD Set 3.3: A 91 TYR OH : rot 150:sc= 0 USER MOD Set 3.4: A 93 CYS SG : rot -162:sc= 0.211 USER MOD Set 3.5: A 95 CYS SG : rot -133:sc= 0.331 USER MOD Set 4.1: A 24 LYS NZ :NH3+ -158:sc= 1.23 (180deg=1.11) USER MOD Set 4.2: A 51 SER OG : rot -150:sc= -3.04! USER MOD Set 5.1: A 7 HIS : no HD1:sc= 0 X(o=-0.92,f=-0.64) USER MOD Set 5.2: A 11 GLN : amide:sc= -0.919 X(o=-0.92,f=-0.64) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.11) USER MOD Single : A 16 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.11 K(o=1.1,f=-0.024) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -148:sc= 0.068 (180deg=-0.00029) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -154:sc= 1.22 (180deg=0.522) USER MOD Single : A 76 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.84) USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= 0.0265 (180deg=-0.0429) USER MOD Single : A 85 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00499) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.132 K(o=-0.13,f=-3.9!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN :FLIP amide:sc= -0.0288 F(o=-0.78,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 -4.100 -5.241 0.957 1.00 15.15 N ATOM 60 CA ILE A 5 -5.174 -5.047 1.927 1.00 72.21 C ATOM 61 C ILE A 5 -6.186 -6.170 1.783 1.00 33.53 C ATOM 62 O ILE A 5 -6.810 -6.594 2.751 1.00 4.14 O ATOM 63 CB ILE A 5 -5.901 -3.695 1.751 1.00 62.11 C ATOM 64 CG1 ILE A 5 -6.875 -3.447 2.902 1.00 74.53 C ATOM 65 CG2 ILE A 5 -6.671 -3.690 0.446 1.00 21.34 C ATOM 66 CD1 ILE A 5 -6.271 -3.619 4.271 1.00 73.45 C ATOM 0 HA ILE A 5 -4.719 -5.050 2.917 1.00 72.21 H new ATOM 0 HB ILE A 5 -5.150 -2.905 1.744 1.00 62.11 H new ATOM 0 HG12 ILE A 5 -7.271 -2.435 2.816 1.00 74.53 H new ATOM 0 HG13 ILE A 5 -7.719 -4.129 2.802 1.00 74.53 H new ATOM 0 HG21 ILE A 5 -7.181 -2.734 0.328 1.00 21.34 H new ATOM 0 HG22 ILE A 5 -5.981 -3.838 -0.384 1.00 21.34 H new ATOM 0 HG23 ILE A 5 -7.406 -4.495 0.454 1.00 21.34 H new ATOM 0 HD11 ILE A 5 -7.029 -3.425 5.030 1.00 73.45 H new ATOM 0 HD12 ILE A 5 -5.901 -4.639 4.380 1.00 73.45 H new ATOM 0 HD13 ILE A 5 -5.445 -2.918 4.395 1.00 73.45 H new ATOM 78 N GLU A 6 -6.310 -6.660 0.561 1.00 73.41 N ATOM 79 CA GLU A 6 -7.239 -7.720 0.248 1.00 3.11 C ATOM 80 C GLU A 6 -6.825 -8.961 1.011 1.00 3.01 C ATOM 81 O GLU A 6 -7.654 -9.662 1.580 1.00 12.44 O ATOM 82 CB GLU A 6 -7.263 -7.999 -1.264 1.00 52.02 C ATOM 83 CG GLU A 6 -7.674 -6.806 -2.130 1.00 62.34 C ATOM 84 CD GLU A 6 -6.598 -5.733 -2.251 1.00 72.31 C ATOM 85 OE1 GLU A 6 -5.438 -5.993 -1.856 1.00 34.34 O ATOM 86 OE2 GLU A 6 -6.906 -4.619 -2.732 1.00 34.05 O ATOM 0 H GLU A 6 -5.768 -6.331 -0.238 1.00 73.41 H new ATOM 0 HA GLU A 6 -8.246 -7.422 0.541 1.00 3.11 H new ATOM 0 HB2 GLU A 6 -6.272 -8.331 -1.574 1.00 52.02 H new ATOM 0 HB3 GLU A 6 -7.950 -8.823 -1.456 1.00 52.02 H new ATOM 0 HG2 GLU A 6 -7.930 -7.164 -3.127 1.00 62.34 H new ATOM 0 HG3 GLU A 6 -8.575 -6.358 -1.711 1.00 62.34 H new ATOM 93 N HIS A 7 -5.520 -9.195 1.045 1.00 14.01 N ATOM 94 CA HIS A 7 -4.955 -10.301 1.798 1.00 54.21 C ATOM 95 C HIS A 7 -5.301 -10.153 3.275 1.00 62.31 C ATOM 96 O HIS A 7 -5.653 -11.125 3.938 1.00 42.30 O ATOM 97 CB HIS A 7 -3.438 -10.342 1.612 1.00 23.53 C ATOM 98 CG HIS A 7 -2.818 -11.659 1.964 1.00 1.02 C ATOM 99 ND1 HIS A 7 -1.844 -11.820 2.924 1.00 23.41 N ATOM 100 CD2 HIS A 7 -3.032 -12.891 1.438 1.00 11.33 C ATOM 101 CE1 HIS A 7 -1.502 -13.113 2.950 1.00 21.42 C ATOM 102 NE2 HIS A 7 -2.195 -13.807 2.067 1.00 61.32 N ATOM 0 H HIS A 7 -4.830 -8.627 0.554 1.00 14.01 H new ATOM 0 HA HIS A 7 -5.378 -11.235 1.429 1.00 54.21 H new ATOM 0 HB2 HIS A 7 -3.203 -10.107 0.574 1.00 23.53 H new ATOM 0 HB3 HIS A 7 -2.986 -9.563 2.226 1.00 23.53 H new ATOM 0 HD2 HIS A 7 -3.739 -13.124 0.656 1.00 11.33 H new ATOM 0 HE1 HIS A 7 -0.756 -13.534 3.608 1.00 21.42 H new ATOM 0 HE2 HIS A 7 -2.130 -14.808 1.884 1.00 61.32 H new ATOM 110 N LYS A 8 -5.225 -8.921 3.775 1.00 62.22 N ATOM 111 CA LYS A 8 -5.550 -8.638 5.169 1.00 12.31 C ATOM 112 C LYS A 8 -7.004 -8.964 5.439 1.00 34.01 C ATOM 113 O LYS A 8 -7.324 -9.637 6.419 1.00 63.34 O ATOM 114 CB LYS A 8 -5.310 -7.167 5.522 1.00 4.21 C ATOM 115 CG LYS A 8 -4.003 -6.600 5.012 1.00 33.20 C ATOM 116 CD LYS A 8 -2.823 -7.460 5.404 1.00 15.42 C ATOM 117 CE LYS A 8 -1.539 -6.860 4.880 1.00 71.01 C ATOM 118 NZ LYS A 8 -0.375 -7.752 5.098 1.00 24.22 N ATOM 0 H LYS A 8 -4.941 -8.104 3.235 1.00 62.22 H new ATOM 0 HA LYS A 8 -4.897 -9.258 5.784 1.00 12.31 H new ATOM 0 HB2 LYS A 8 -6.130 -6.572 5.120 1.00 4.21 H new ATOM 0 HB3 LYS A 8 -5.339 -7.058 6.606 1.00 4.21 H new ATOM 0 HG2 LYS A 8 -4.044 -6.514 3.926 1.00 33.20 H new ATOM 0 HG3 LYS A 8 -3.865 -5.593 5.407 1.00 33.20 H new ATOM 0 HD2 LYS A 8 -2.774 -7.549 6.489 1.00 15.42 H new ATOM 0 HD3 LYS A 8 -2.950 -8.467 5.007 1.00 15.42 H new ATOM 0 HE2 LYS A 8 -1.644 -6.656 3.814 1.00 71.01 H new ATOM 0 HE3 LYS A 8 -1.359 -5.904 5.372 1.00 71.01 H new ATOM 0 HZ1 LYS A 8 0.484 -7.300 4.723 1.00 24.22 H new ATOM 0 HZ2 LYS A 8 -0.258 -7.927 6.116 1.00 24.22 H new ATOM 0 HZ3 LYS A 8 -0.533 -8.655 4.607 1.00 24.22 H new ATOM 132 N VAL A 9 -7.883 -8.473 4.566 1.00 74.12 N ATOM 133 CA VAL A 9 -9.305 -8.747 4.694 1.00 50.22 C ATOM 134 C VAL A 9 -9.553 -10.249 4.743 1.00 2.01 C ATOM 135 O VAL A 9 -10.328 -10.736 5.565 1.00 53.14 O ATOM 136 CB VAL A 9 -10.115 -8.151 3.529 1.00 33.54 C ATOM 137 CG1 VAL A 9 -11.601 -8.336 3.770 1.00 64.44 C ATOM 138 CG2 VAL A 9 -9.788 -6.687 3.338 1.00 5.22 C ATOM 0 H VAL A 9 -7.633 -7.888 3.769 1.00 74.12 H new ATOM 0 HA VAL A 9 -9.635 -8.279 5.621 1.00 50.22 H new ATOM 0 HB VAL A 9 -9.841 -8.681 2.617 1.00 33.54 H new ATOM 0 HG11 VAL A 9 -12.160 -7.909 2.938 1.00 64.44 H new ATOM 0 HG12 VAL A 9 -11.827 -9.399 3.852 1.00 64.44 H new ATOM 0 HG13 VAL A 9 -11.885 -7.833 4.694 1.00 64.44 H new ATOM 0 HG21 VAL A 9 -10.373 -6.289 2.509 1.00 5.22 H new ATOM 0 HG22 VAL A 9 -10.029 -6.139 4.249 1.00 5.22 H new ATOM 0 HG23 VAL A 9 -8.726 -6.577 3.118 1.00 5.22 H new ATOM 148 N TYR A 10 -8.875 -10.980 3.867 1.00 52.01 N ATOM 149 CA TYR A 10 -9.012 -12.427 3.821 1.00 61.33 C ATOM 150 C TYR A 10 -8.552 -13.032 5.143 1.00 53.14 C ATOM 151 O TYR A 10 -9.293 -13.778 5.777 1.00 23.23 O ATOM 152 CB TYR A 10 -8.184 -13.034 2.680 1.00 44.10 C ATOM 153 CG TYR A 10 -8.485 -12.505 1.287 1.00 14.44 C ATOM 154 CD1 TYR A 10 -9.642 -11.783 1.005 1.00 2.23 C ATOM 155 CD2 TYR A 10 -7.593 -12.736 0.246 1.00 42.33 C ATOM 156 CE1 TYR A 10 -9.895 -11.311 -0.273 1.00 41.12 C ATOM 157 CE2 TYR A 10 -7.842 -12.269 -1.029 1.00 61.44 C ATOM 158 CZ TYR A 10 -8.992 -11.560 -1.284 1.00 45.13 C ATOM 159 OH TYR A 10 -9.237 -11.098 -2.558 1.00 2.52 O ATOM 0 H TYR A 10 -8.226 -10.594 3.181 1.00 52.01 H new ATOM 0 HA TYR A 10 -10.064 -12.655 3.647 1.00 61.33 H new ATOM 0 HB2 TYR A 10 -7.129 -12.863 2.892 1.00 44.10 H new ATOM 0 HB3 TYR A 10 -8.338 -14.113 2.679 1.00 44.10 H new ATOM 0 HD1 TYR A 10 -10.353 -11.588 1.794 1.00 2.23 H new ATOM 0 HD2 TYR A 10 -6.687 -13.292 0.439 1.00 42.33 H new ATOM 0 HE1 TYR A 10 -10.796 -10.751 -0.476 1.00 41.12 H new ATOM 0 HE2 TYR A 10 -7.136 -12.460 -1.823 1.00 61.44 H new ATOM 0 HH TYR A 10 -8.500 -11.360 -3.148 1.00 2.52 H new ATOM 169 N GLN A 11 -7.344 -12.643 5.564 1.00 75.44 N ATOM 170 CA GLN A 11 -6.661 -13.232 6.720 1.00 35.45 C ATOM 171 C GLN A 11 -7.562 -13.375 7.942 1.00 13.44 C ATOM 172 O GLN A 11 -7.567 -14.416 8.603 1.00 24.32 O ATOM 173 CB GLN A 11 -5.428 -12.399 7.086 1.00 3.24 C ATOM 174 CG GLN A 11 -4.239 -12.631 6.170 1.00 24.43 C ATOM 175 CD GLN A 11 -3.714 -14.053 6.228 1.00 1.35 C ATOM 176 OE1 GLN A 11 -3.210 -14.577 5.236 1.00 20.42 O ATOM 177 NE2 GLN A 11 -3.806 -14.684 7.392 1.00 60.31 N ATOM 0 H GLN A 11 -6.809 -11.904 5.108 1.00 75.44 H new ATOM 0 HA GLN A 11 -6.363 -14.238 6.423 1.00 35.45 H new ATOM 0 HB2 GLN A 11 -5.694 -11.342 7.060 1.00 3.24 H new ATOM 0 HB3 GLN A 11 -5.136 -12.629 8.111 1.00 3.24 H new ATOM 0 HG2 GLN A 11 -4.526 -12.397 5.145 1.00 24.43 H new ATOM 0 HG3 GLN A 11 -3.439 -11.943 6.442 1.00 24.43 H new ATOM 0 HE21 GLN A 11 -4.231 -14.217 8.193 1.00 60.31 H new ATOM 0 HE22 GLN A 11 -3.452 -15.636 7.485 1.00 60.31 H new ATOM 186 N LEU A 12 -8.321 -12.341 8.243 1.00 15.34 N ATOM 187 CA LEU A 12 -9.164 -12.355 9.425 1.00 31.24 C ATOM 188 C LEU A 12 -10.559 -12.864 9.112 1.00 74.03 C ATOM 189 O LEU A 12 -11.098 -13.676 9.856 1.00 71.34 O ATOM 190 CB LEU A 12 -9.203 -10.972 10.091 1.00 45.02 C ATOM 191 CG LEU A 12 -8.849 -9.775 9.200 1.00 0.21 C ATOM 192 CD1 LEU A 12 -10.045 -9.336 8.374 1.00 4.01 C ATOM 193 CD2 LEU A 12 -8.327 -8.621 10.042 1.00 3.24 C ATOM 0 H LEU A 12 -8.373 -11.485 7.691 1.00 15.34 H new ATOM 0 HA LEU A 12 -8.722 -13.053 10.137 1.00 31.24 H new ATOM 0 HB2 LEU A 12 -10.204 -10.815 10.493 1.00 45.02 H new ATOM 0 HB3 LEU A 12 -8.517 -10.982 10.938 1.00 45.02 H new ATOM 0 HG LEU A 12 -8.063 -10.086 8.512 1.00 0.21 H new ATOM 0 HD11 LEU A 12 -9.765 -8.486 7.752 1.00 4.01 H new ATOM 0 HD12 LEU A 12 -10.370 -10.160 7.738 1.00 4.01 H new ATOM 0 HD13 LEU A 12 -10.860 -9.047 9.038 1.00 4.01 H new ATOM 0 HD21 LEU A 12 -8.081 -7.780 9.394 1.00 3.24 H new ATOM 0 HD22 LEU A 12 -9.092 -8.317 10.756 1.00 3.24 H new ATOM 0 HD23 LEU A 12 -7.434 -8.938 10.580 1.00 3.24 H new ATOM 205 N LEU A 13 -11.124 -12.430 7.999 1.00 25.21 N ATOM 206 CA LEU A 13 -12.495 -12.799 7.652 1.00 30.35 C ATOM 207 C LEU A 13 -12.654 -14.291 7.414 1.00 12.21 C ATOM 208 O LEU A 13 -13.611 -14.897 7.896 1.00 53.53 O ATOM 209 CB LEU A 13 -12.977 -12.037 6.430 1.00 42.43 C ATOM 210 CG LEU A 13 -13.236 -10.559 6.664 1.00 61.13 C ATOM 211 CD1 LEU A 13 -13.954 -9.965 5.472 1.00 34.50 C ATOM 212 CD2 LEU A 13 -14.040 -10.370 7.936 1.00 63.21 C ATOM 0 H LEU A 13 -10.662 -11.825 7.320 1.00 25.21 H new ATOM 0 HA LEU A 13 -13.108 -12.528 8.512 1.00 30.35 H new ATOM 0 HB2 LEU A 13 -12.235 -12.141 5.638 1.00 42.43 H new ATOM 0 HB3 LEU A 13 -13.895 -12.500 6.069 1.00 42.43 H new ATOM 0 HG LEU A 13 -12.285 -10.039 6.782 1.00 61.13 H new ATOM 0 HD11 LEU A 13 -14.136 -8.905 5.648 1.00 34.50 H new ATOM 0 HD12 LEU A 13 -13.339 -10.084 4.580 1.00 34.50 H new ATOM 0 HD13 LEU A 13 -14.905 -10.477 5.328 1.00 34.50 H new ATOM 0 HD21 LEU A 13 -14.222 -9.307 8.097 1.00 63.21 H new ATOM 0 HD22 LEU A 13 -14.993 -10.891 7.845 1.00 63.21 H new ATOM 0 HD23 LEU A 13 -13.484 -10.775 8.781 1.00 63.21 H new ATOM 224 N LYS A 14 -11.731 -14.882 6.668 1.00 44.03 N ATOM 225 CA LYS A 14 -11.784 -16.319 6.409 1.00 24.34 C ATOM 226 C LYS A 14 -11.639 -17.081 7.717 1.00 43.33 C ATOM 227 O LYS A 14 -12.144 -18.193 7.866 1.00 71.13 O ATOM 228 CB LYS A 14 -10.694 -16.745 5.405 1.00 14.25 C ATOM 229 CG LYS A 14 -9.257 -16.655 5.930 1.00 33.30 C ATOM 230 CD LYS A 14 -8.844 -17.870 6.754 1.00 42.34 C ATOM 231 CE LYS A 14 -7.474 -17.663 7.385 1.00 15.52 C ATOM 232 NZ LYS A 14 -7.143 -18.719 8.381 1.00 34.24 N ATOM 0 H LYS A 14 -10.944 -14.398 6.235 1.00 44.03 H new ATOM 0 HA LYS A 14 -12.750 -16.557 5.964 1.00 24.34 H new ATOM 0 HB2 LYS A 14 -10.888 -17.772 5.096 1.00 14.25 H new ATOM 0 HB3 LYS A 14 -10.779 -16.123 4.514 1.00 14.25 H new ATOM 0 HG2 LYS A 14 -8.575 -16.546 5.087 1.00 33.30 H new ATOM 0 HG3 LYS A 14 -9.155 -15.758 6.540 1.00 33.30 H new ATOM 0 HD2 LYS A 14 -9.583 -18.053 7.534 1.00 42.34 H new ATOM 0 HD3 LYS A 14 -8.825 -18.755 6.118 1.00 42.34 H new ATOM 0 HE2 LYS A 14 -6.714 -17.654 6.603 1.00 15.52 H new ATOM 0 HE3 LYS A 14 -7.444 -16.687 7.870 1.00 15.52 H new ATOM 0 HZ1 LYS A 14 -6.136 -18.656 8.631 1.00 34.24 H new ATOM 0 HZ2 LYS A 14 -7.721 -18.584 9.235 1.00 34.24 H new ATOM 0 HZ3 LYS A 14 -7.341 -19.655 7.973 1.00 34.24 H new ATOM 246 N ASP A 15 -10.961 -16.454 8.671 1.00 62.33 N ATOM 247 CA ASP A 15 -10.662 -17.091 9.938 1.00 11.23 C ATOM 248 C ASP A 15 -11.854 -16.978 10.877 1.00 73.20 C ATOM 249 O ASP A 15 -12.016 -17.776 11.800 1.00 53.15 O ATOM 250 CB ASP A 15 -9.425 -16.453 10.562 1.00 44.10 C ATOM 251 CG ASP A 15 -8.648 -17.429 11.414 1.00 23.21 C ATOM 252 OD1 ASP A 15 -8.280 -18.503 10.894 1.00 43.31 O ATOM 253 OD2 ASP A 15 -8.375 -17.116 12.590 1.00 63.20 O ATOM 0 H ASP A 15 -10.609 -15.501 8.586 1.00 62.33 H new ATOM 0 HA ASP A 15 -10.459 -18.148 9.766 1.00 11.23 H new ATOM 0 HB2 ASP A 15 -8.779 -16.068 9.773 1.00 44.10 H new ATOM 0 HB3 ASP A 15 -9.726 -15.601 11.171 1.00 44.10 H new ATOM 258 N GLN A 16 -12.689 -15.975 10.624 1.00 42.35 N ATOM 259 CA GLN A 16 -13.946 -15.821 11.348 1.00 15.31 C ATOM 260 C GLN A 16 -14.993 -16.739 10.738 1.00 61.22 C ATOM 261 O GLN A 16 -16.110 -16.863 11.239 1.00 14.41 O ATOM 262 CB GLN A 16 -14.454 -14.377 11.291 1.00 1.11 C ATOM 263 CG GLN A 16 -13.406 -13.336 11.589 1.00 14.43 C ATOM 264 CD GLN A 16 -13.961 -12.166 12.366 1.00 50.52 C ATOM 265 OE1 GLN A 16 -14.868 -12.314 13.183 1.00 71.02 O ATOM 266 NE2 GLN A 16 -13.452 -10.989 12.074 1.00 22.10 N ATOM 0 H GLN A 16 -12.517 -15.256 9.922 1.00 42.35 H new ATOM 0 HA GLN A 16 -13.769 -16.081 12.392 1.00 15.31 H new ATOM 0 HB2 GLN A 16 -14.865 -14.188 10.299 1.00 1.11 H new ATOM 0 HB3 GLN A 16 -15.273 -14.264 12.002 1.00 1.11 H new ATOM 0 HG2 GLN A 16 -12.595 -13.793 12.156 1.00 14.43 H new ATOM 0 HG3 GLN A 16 -12.978 -12.977 10.653 1.00 14.43 H new ATOM 0 HE21 GLN A 16 -12.700 -10.914 11.389 1.00 22.10 H new ATOM 0 HE22 GLN A 16 -13.809 -10.151 12.532 1.00 22.10 H new ATOM 275 N GLY A 17 -14.625 -17.359 9.628 1.00 12.32 N ATOM 276 CA GLY A 17 -15.524 -18.253 8.948 1.00 74.44 C ATOM 277 C GLY A 17 -16.350 -17.535 7.912 1.00 54.54 C ATOM 278 O GLY A 17 -17.514 -17.867 7.691 1.00 44.11 O ATOM 0 H GLY A 17 -13.711 -17.255 9.187 1.00 12.32 H new ATOM 0 HA2 GLY A 17 -14.953 -19.049 8.470 1.00 74.44 H new ATOM 0 HA3 GLY A 17 -16.184 -18.727 9.675 1.00 74.44 H new ATOM 282 N CYS A 18 -15.766 -16.523 7.291 1.00 24.43 N ATOM 283 CA CYS A 18 -16.437 -15.836 6.206 1.00 71.01 C ATOM 284 C CYS A 18 -15.740 -16.130 4.890 1.00 2.12 C ATOM 285 O CYS A 18 -14.514 -16.192 4.831 1.00 12.14 O ATOM 286 CB CYS A 18 -16.459 -14.321 6.431 1.00 51.24 C ATOM 287 SG CYS A 18 -17.784 -13.471 5.507 1.00 63.54 S ATOM 0 H CYS A 18 -14.839 -16.164 7.518 1.00 24.43 H new ATOM 0 HA CYS A 18 -17.464 -16.199 6.173 1.00 71.01 H new ATOM 0 HB2 CYS A 18 -16.582 -14.121 7.495 1.00 51.24 H new ATOM 0 HB3 CYS A 18 -15.496 -13.903 6.138 1.00 51.24 H new ATOM 0 HG CYS A 18 -18.788 -14.280 5.345 1.00 63.54 H new ATOM 292 N GLU A 19 -16.523 -16.343 3.849 1.00 71.35 N ATOM 293 CA GLU A 19 -15.990 -16.400 2.490 1.00 43.35 C ATOM 294 C GLU A 19 -16.714 -15.381 1.612 1.00 12.12 C ATOM 295 O GLU A 19 -16.312 -15.106 0.481 1.00 53.55 O ATOM 296 CB GLU A 19 -16.137 -17.810 1.897 1.00 1.52 C ATOM 297 CG GLU A 19 -17.562 -18.190 1.512 1.00 4.25 C ATOM 298 CD GLU A 19 -18.476 -18.347 2.707 1.00 61.41 C ATOM 299 OE1 GLU A 19 -18.856 -17.324 3.300 1.00 44.15 O ATOM 300 OE2 GLU A 19 -18.805 -19.496 3.065 1.00 33.22 O ATOM 0 H GLU A 19 -17.532 -16.480 3.913 1.00 71.35 H new ATOM 0 HA GLU A 19 -14.927 -16.160 2.525 1.00 43.35 H new ATOM 0 HB2 GLU A 19 -15.503 -17.886 1.014 1.00 1.52 H new ATOM 0 HB3 GLU A 19 -15.764 -18.535 2.620 1.00 1.52 H new ATOM 0 HG2 GLU A 19 -17.969 -17.427 0.848 1.00 4.25 H new ATOM 0 HG3 GLU A 19 -17.544 -19.124 0.950 1.00 4.25 H new ATOM 307 N ASP A 20 -17.778 -14.813 2.168 1.00 0.25 N ATOM 308 CA ASP A 20 -18.640 -13.892 1.445 1.00 34.32 C ATOM 309 C ASP A 20 -18.086 -12.472 1.503 1.00 11.22 C ATOM 310 O ASP A 20 -18.496 -11.658 2.342 1.00 0.30 O ATOM 311 CB ASP A 20 -20.057 -13.928 2.028 1.00 72.22 C ATOM 312 CG ASP A 20 -21.085 -13.252 1.138 1.00 54.11 C ATOM 313 OD1 ASP A 20 -20.902 -12.068 0.795 1.00 24.43 O ATOM 314 OD2 ASP A 20 -22.092 -13.904 0.791 1.00 61.12 O ATOM 0 H ASP A 20 -18.065 -14.979 3.132 1.00 0.25 H new ATOM 0 HA ASP A 20 -18.676 -14.204 0.401 1.00 34.32 H new ATOM 0 HB2 ASP A 20 -20.351 -14.965 2.189 1.00 72.22 H new ATOM 0 HB3 ASP A 20 -20.054 -13.442 3.004 1.00 72.22 H new ATOM 319 N PHE A 21 -17.113 -12.211 0.645 1.00 21.10 N ATOM 320 CA PHE A 21 -16.513 -10.885 0.505 1.00 65.23 C ATOM 321 C PHE A 21 -15.609 -10.836 -0.721 1.00 50.22 C ATOM 322 O PHE A 21 -15.136 -11.870 -1.192 1.00 74.34 O ATOM 323 CB PHE A 21 -15.717 -10.500 1.761 1.00 4.34 C ATOM 324 CG PHE A 21 -14.790 -11.574 2.261 1.00 74.13 C ATOM 325 CD1 PHE A 21 -13.491 -11.685 1.789 1.00 61.33 C ATOM 326 CD2 PHE A 21 -15.225 -12.474 3.215 1.00 31.25 C ATOM 327 CE1 PHE A 21 -12.651 -12.672 2.264 1.00 52.43 C ATOM 328 CE2 PHE A 21 -14.394 -13.459 3.688 1.00 4.52 C ATOM 329 CZ PHE A 21 -13.104 -13.562 3.215 1.00 70.11 C ATOM 0 H PHE A 21 -16.713 -12.912 0.022 1.00 21.10 H new ATOM 0 HA PHE A 21 -17.322 -10.165 0.379 1.00 65.23 H new ATOM 0 HB2 PHE A 21 -15.134 -9.604 1.547 1.00 4.34 H new ATOM 0 HB3 PHE A 21 -16.417 -10.242 2.556 1.00 4.34 H new ATOM 0 HD1 PHE A 21 -13.133 -10.992 1.042 1.00 61.33 H new ATOM 0 HD2 PHE A 21 -16.234 -12.401 3.594 1.00 31.25 H new ATOM 0 HE1 PHE A 21 -11.640 -12.747 1.891 1.00 52.43 H new ATOM 0 HE2 PHE A 21 -14.752 -14.155 4.432 1.00 4.52 H new ATOM 0 HZ PHE A 21 -12.450 -14.337 3.588 1.00 70.11 H new ATOM 339 N GLY A 22 -15.380 -9.634 -1.237 1.00 13.34 N ATOM 340 CA GLY A 22 -14.516 -9.469 -2.391 1.00 71.34 C ATOM 341 C GLY A 22 -14.553 -8.055 -2.930 1.00 45.35 C ATOM 342 O GLY A 22 -15.436 -7.282 -2.576 1.00 4.25 O ATOM 0 H GLY A 22 -15.779 -8.768 -0.875 1.00 13.34 H new ATOM 0 HA2 GLY A 22 -13.493 -9.726 -2.117 1.00 71.34 H new ATOM 0 HA3 GLY A 22 -14.820 -10.163 -3.174 1.00 71.34 H new ATOM 346 N THR A 23 -13.599 -7.712 -3.780 1.00 51.44 N ATOM 347 CA THR A 23 -13.536 -6.369 -4.343 1.00 21.24 C ATOM 348 C THR A 23 -14.298 -6.292 -5.662 1.00 44.23 C ATOM 349 O THR A 23 -14.455 -7.298 -6.358 1.00 40.14 O ATOM 350 CB THR A 23 -12.077 -5.920 -4.580 1.00 24.42 C ATOM 351 OG1 THR A 23 -11.357 -6.921 -5.315 1.00 71.25 O ATOM 352 CG2 THR A 23 -11.370 -5.644 -3.264 1.00 35.44 C ATOM 0 H THR A 23 -12.860 -8.340 -4.095 1.00 51.44 H new ATOM 0 HA THR A 23 -13.998 -5.701 -3.616 1.00 21.24 H new ATOM 0 HB THR A 23 -12.103 -4.998 -5.161 1.00 24.42 H new ATOM 0 HG1 THR A 23 -10.435 -6.621 -5.459 1.00 71.25 H new ATOM 0 HG21 THR A 23 -10.345 -5.330 -3.461 1.00 35.44 H new ATOM 0 HG22 THR A 23 -11.895 -4.854 -2.728 1.00 35.44 H new ATOM 0 HG23 THR A 23 -11.362 -6.550 -2.658 1.00 35.44 H new ATOM 360 N LYS A 24 -14.787 -5.105 -5.994 1.00 55.02 N ATOM 361 CA LYS A 24 -15.393 -4.878 -7.297 1.00 0.53 C ATOM 362 C LYS A 24 -14.880 -3.578 -7.897 1.00 64.11 C ATOM 363 O LYS A 24 -14.616 -2.609 -7.178 1.00 54.21 O ATOM 364 CB LYS A 24 -16.933 -4.882 -7.209 1.00 40.40 C ATOM 365 CG LYS A 24 -17.555 -3.713 -6.447 1.00 23.44 C ATOM 366 CD LYS A 24 -17.813 -2.507 -7.344 1.00 42.34 C ATOM 367 CE LYS A 24 -18.727 -1.500 -6.666 1.00 32.13 C ATOM 368 NZ LYS A 24 -18.778 -0.203 -7.393 1.00 15.44 N ATOM 0 H LYS A 24 -14.776 -4.289 -5.382 1.00 55.02 H new ATOM 0 HA LYS A 24 -15.105 -5.698 -7.955 1.00 0.53 H new ATOM 0 HB2 LYS A 24 -17.337 -4.888 -8.222 1.00 40.40 H new ATOM 0 HB3 LYS A 24 -17.249 -5.811 -6.734 1.00 40.40 H new ATOM 0 HG2 LYS A 24 -18.494 -4.035 -5.996 1.00 23.44 H new ATOM 0 HG3 LYS A 24 -16.893 -3.421 -5.631 1.00 23.44 H new ATOM 0 HD2 LYS A 24 -16.866 -2.030 -7.596 1.00 42.34 H new ATOM 0 HD3 LYS A 24 -18.263 -2.837 -8.280 1.00 42.34 H new ATOM 0 HE2 LYS A 24 -19.733 -1.915 -6.597 1.00 32.13 H new ATOM 0 HE3 LYS A 24 -18.382 -1.329 -5.646 1.00 32.13 H new ATOM 0 HZ1 LYS A 24 -19.085 0.548 -6.742 1.00 15.44 H new ATOM 0 HZ2 LYS A 24 -17.833 0.025 -7.763 1.00 15.44 H new ATOM 0 HZ3 LYS A 24 -19.451 -0.274 -8.182 1.00 15.44 H new ATOM 743 N TYR A 47 -15.760 7.609 -13.662 1.00 64.33 N ATOM 744 CA TYR A 47 -15.033 7.300 -12.451 1.00 1.41 C ATOM 745 C TYR A 47 -14.932 5.800 -12.255 1.00 15.34 C ATOM 746 O TYR A 47 -15.804 5.048 -12.679 1.00 14.11 O ATOM 747 CB TYR A 47 -15.715 7.931 -11.238 1.00 44.20 C ATOM 748 CG TYR A 47 -15.592 9.439 -11.153 1.00 51.32 C ATOM 749 CD1 TYR A 47 -16.337 10.275 -11.978 1.00 40.42 C ATOM 750 CD2 TYR A 47 -14.727 10.025 -10.239 1.00 42.22 C ATOM 751 CE1 TYR A 47 -16.219 11.647 -11.893 1.00 42.24 C ATOM 752 CE2 TYR A 47 -14.607 11.397 -10.147 1.00 64.02 C ATOM 753 CZ TYR A 47 -15.353 12.202 -10.977 1.00 52.50 C ATOM 754 OH TYR A 47 -15.237 13.569 -10.891 1.00 14.24 O ATOM 0 HA TYR A 47 -14.029 7.713 -12.548 1.00 1.41 H new ATOM 0 HB2 TYR A 47 -16.772 7.667 -11.255 1.00 44.20 H new ATOM 0 HB3 TYR A 47 -15.292 7.494 -10.333 1.00 44.20 H new ATOM 0 HD1 TYR A 47 -17.018 9.843 -12.696 1.00 40.42 H new ATOM 0 HD2 TYR A 47 -14.137 9.396 -9.588 1.00 42.22 H new ATOM 0 HE1 TYR A 47 -16.803 12.283 -12.542 1.00 42.24 H new ATOM 0 HE2 TYR A 47 -13.932 11.836 -9.428 1.00 64.02 H new ATOM 0 HH TYR A 47 -14.586 13.799 -10.195 1.00 14.24 H new ATOM 764 N TYR A 48 -13.856 5.375 -11.627 1.00 71.23 N ATOM 765 CA TYR A 48 -13.687 3.988 -11.247 1.00 44.13 C ATOM 766 C TYR A 48 -14.343 3.744 -9.903 1.00 63.33 C ATOM 767 O TYR A 48 -13.869 4.226 -8.872 1.00 0.34 O ATOM 768 CB TYR A 48 -12.205 3.621 -11.185 1.00 61.44 C ATOM 769 CG TYR A 48 -11.647 3.119 -12.499 1.00 21.02 C ATOM 770 CD1 TYR A 48 -12.079 3.637 -13.714 1.00 33.11 C ATOM 771 CD2 TYR A 48 -10.693 2.113 -12.518 1.00 61.32 C ATOM 772 CE1 TYR A 48 -11.571 3.165 -14.910 1.00 4.12 C ATOM 773 CE2 TYR A 48 -10.182 1.636 -13.708 1.00 14.44 C ATOM 774 CZ TYR A 48 -10.621 2.165 -14.901 1.00 15.54 C ATOM 775 OH TYR A 48 -10.109 1.690 -16.090 1.00 12.34 O ATOM 0 H TYR A 48 -13.076 5.979 -11.366 1.00 71.23 H new ATOM 0 HA TYR A 48 -14.162 3.358 -11.999 1.00 44.13 H new ATOM 0 HB2 TYR A 48 -11.636 4.496 -10.869 1.00 61.44 H new ATOM 0 HB3 TYR A 48 -12.061 2.855 -10.423 1.00 61.44 H new ATOM 0 HD1 TYR A 48 -12.823 4.420 -13.724 1.00 33.11 H new ATOM 0 HD2 TYR A 48 -10.344 1.695 -11.585 1.00 61.32 H new ATOM 0 HE1 TYR A 48 -11.916 3.577 -15.847 1.00 4.12 H new ATOM 0 HE2 TYR A 48 -9.441 0.851 -13.703 1.00 14.44 H new ATOM 0 HH TYR A 48 -9.450 0.988 -15.905 1.00 12.34 H new ATOM 785 N GLY A 49 -15.444 3.018 -9.926 1.00 72.50 N ATOM 786 CA GLY A 49 -16.165 2.726 -8.711 1.00 73.34 C ATOM 787 C GLY A 49 -15.565 1.554 -7.966 1.00 25.52 C ATOM 788 O GLY A 49 -16.112 0.447 -7.992 1.00 12.50 O ATOM 0 H GLY A 49 -15.855 2.622 -10.772 1.00 72.50 H new ATOM 0 HA2 GLY A 49 -16.162 3.605 -8.067 1.00 73.34 H new ATOM 0 HA3 GLY A 49 -17.206 2.510 -8.950 1.00 73.34 H new ATOM 792 N PHE A 50 -14.430 1.794 -7.323 1.00 12.01 N ATOM 793 CA PHE A 50 -13.773 0.779 -6.514 1.00 45.03 C ATOM 794 C PHE A 50 -14.518 0.588 -5.209 1.00 24.41 C ATOM 795 O PHE A 50 -14.899 1.561 -4.553 1.00 23.13 O ATOM 796 CB PHE A 50 -12.327 1.167 -6.219 1.00 64.14 C ATOM 797 CG PHE A 50 -11.327 0.482 -7.097 1.00 42.23 C ATOM 798 CD1 PHE A 50 -10.932 -0.817 -6.827 1.00 13.35 C ATOM 799 CD2 PHE A 50 -10.769 1.136 -8.180 1.00 24.52 C ATOM 800 CE1 PHE A 50 -10.000 -1.451 -7.620 1.00 70.31 C ATOM 801 CE2 PHE A 50 -9.836 0.510 -8.973 1.00 32.10 C ATOM 802 CZ PHE A 50 -9.450 -0.785 -8.695 1.00 24.12 C ATOM 0 H PHE A 50 -13.943 2.690 -7.347 1.00 12.01 H new ATOM 0 HA PHE A 50 -13.778 -0.154 -7.077 1.00 45.03 H new ATOM 0 HB2 PHE A 50 -12.219 2.246 -6.334 1.00 64.14 H new ATOM 0 HB3 PHE A 50 -12.103 0.934 -5.178 1.00 64.14 H new ATOM 0 HD1 PHE A 50 -11.360 -1.340 -5.984 1.00 13.35 H new ATOM 0 HD2 PHE A 50 -11.069 2.149 -8.405 1.00 24.52 H new ATOM 0 HE1 PHE A 50 -9.702 -2.465 -7.400 1.00 70.31 H new ATOM 0 HE2 PHE A 50 -9.405 1.033 -9.814 1.00 32.10 H new ATOM 0 HZ PHE A 50 -8.718 -1.277 -9.319 1.00 24.12 H new ATOM 812 N SER A 51 -14.749 -0.657 -4.840 1.00 15.11 N ATOM 813 CA SER A 51 -15.448 -0.957 -3.606 1.00 25.13 C ATOM 814 C SER A 51 -15.064 -2.330 -3.090 1.00 12.14 C ATOM 815 O SER A 51 -14.697 -3.214 -3.867 1.00 53.14 O ATOM 816 CB SER A 51 -16.959 -0.923 -3.828 1.00 64.45 C ATOM 817 OG SER A 51 -17.332 0.172 -4.639 1.00 32.13 O ATOM 0 H SER A 51 -14.463 -1.476 -5.376 1.00 15.11 H new ATOM 0 HA SER A 51 -15.165 -0.202 -2.873 1.00 25.13 H new ATOM 0 HB2 SER A 51 -17.281 -1.853 -4.297 1.00 64.45 H new ATOM 0 HB3 SER A 51 -17.469 -0.857 -2.867 1.00 64.45 H new ATOM 0 HG SER A 51 -18.235 0.466 -4.397 1.00 32.13 H new ATOM 823 N PHE A 52 -15.153 -2.505 -1.787 1.00 43.24 N ATOM 824 CA PHE A 52 -15.015 -3.816 -1.204 1.00 51.45 C ATOM 825 C PHE A 52 -16.376 -4.301 -0.731 1.00 13.01 C ATOM 826 O PHE A 52 -17.008 -3.672 0.130 1.00 72.31 O ATOM 827 CB PHE A 52 -14.021 -3.826 -0.042 1.00 31.24 C ATOM 828 CG PHE A 52 -13.637 -5.223 0.337 1.00 33.43 C ATOM 829 CD1 PHE A 52 -14.463 -5.987 1.143 1.00 12.34 C ATOM 830 CD2 PHE A 52 -12.472 -5.789 -0.153 1.00 23.22 C ATOM 831 CE1 PHE A 52 -14.133 -7.284 1.460 1.00 10.22 C ATOM 832 CE2 PHE A 52 -12.140 -7.091 0.153 1.00 24.51 C ATOM 833 CZ PHE A 52 -12.973 -7.839 0.960 1.00 44.15 C ATOM 0 H PHE A 52 -15.320 -1.755 -1.116 1.00 43.24 H new ATOM 0 HA PHE A 52 -14.624 -4.486 -1.969 1.00 51.45 H new ATOM 0 HB2 PHE A 52 -13.129 -3.265 -0.320 1.00 31.24 H new ATOM 0 HB3 PHE A 52 -14.460 -3.322 0.819 1.00 31.24 H new ATOM 0 HD1 PHE A 52 -15.377 -5.560 1.527 1.00 12.34 H new ATOM 0 HD2 PHE A 52 -11.817 -5.204 -0.781 1.00 23.22 H new ATOM 0 HE1 PHE A 52 -14.780 -7.867 2.099 1.00 10.22 H new ATOM 0 HE2 PHE A 52 -11.231 -7.525 -0.237 1.00 24.51 H new ATOM 0 HZ PHE A 52 -12.717 -8.860 1.200 1.00 44.15 H new ATOM 843 N PHE A 53 -16.813 -5.418 -1.294 1.00 11.43 N ATOM 844 CA PHE A 53 -18.119 -5.982 -0.994 1.00 41.35 C ATOM 845 C PHE A 53 -18.046 -6.970 0.156 1.00 14.52 C ATOM 846 O PHE A 53 -17.068 -7.702 0.311 1.00 41.41 O ATOM 847 CB PHE A 53 -18.710 -6.667 -2.225 1.00 22.13 C ATOM 848 CG PHE A 53 -19.758 -5.843 -2.908 1.00 64.12 C ATOM 849 CD1 PHE A 53 -19.413 -4.929 -3.886 1.00 21.13 C ATOM 850 CD2 PHE A 53 -21.089 -5.980 -2.562 1.00 11.23 C ATOM 851 CE1 PHE A 53 -20.380 -4.163 -4.507 1.00 42.41 C ATOM 852 CE2 PHE A 53 -22.060 -5.217 -3.177 1.00 0.11 C ATOM 853 CZ PHE A 53 -21.705 -4.308 -4.152 1.00 33.33 C ATOM 0 H PHE A 53 -16.273 -5.957 -1.970 1.00 11.43 H new ATOM 0 HA PHE A 53 -18.768 -5.157 -0.699 1.00 41.35 H new ATOM 0 HB2 PHE A 53 -17.909 -6.885 -2.932 1.00 22.13 H new ATOM 0 HB3 PHE A 53 -19.143 -7.623 -1.929 1.00 22.13 H new ATOM 0 HD1 PHE A 53 -18.377 -4.813 -4.167 1.00 21.13 H new ATOM 0 HD2 PHE A 53 -21.372 -6.693 -1.801 1.00 11.23 H new ATOM 0 HE1 PHE A 53 -20.099 -3.452 -5.269 1.00 42.41 H new ATOM 0 HE2 PHE A 53 -23.096 -5.331 -2.896 1.00 0.11 H new ATOM 0 HZ PHE A 53 -22.463 -3.711 -4.637 1.00 33.33 H new ATOM 863 N ARG A 54 -19.100 -6.980 0.949 1.00 24.05 N ATOM 864 CA ARG A 54 -19.189 -7.830 2.122 1.00 55.42 C ATOM 865 C ARG A 54 -20.642 -8.221 2.365 1.00 4.32 C ATOM 866 O ARG A 54 -21.429 -7.396 2.826 1.00 35.12 O ATOM 867 CB ARG A 54 -18.645 -7.068 3.328 1.00 2.41 C ATOM 868 CG ARG A 54 -18.973 -7.682 4.675 1.00 43.13 C ATOM 869 CD ARG A 54 -18.320 -9.036 4.862 1.00 71.02 C ATOM 870 NE ARG A 54 -18.397 -9.459 6.255 1.00 31.31 N ATOM 871 CZ ARG A 54 -17.458 -9.174 7.153 1.00 55.53 C ATOM 872 NH1 ARG A 54 -16.402 -8.469 6.783 1.00 44.12 N ATOM 873 NH2 ARG A 54 -17.581 -9.565 8.417 1.00 64.54 N ATOM 0 H ARG A 54 -19.923 -6.396 0.798 1.00 24.05 H new ATOM 0 HA ARG A 54 -18.603 -8.736 1.968 1.00 55.42 H new ATOM 0 HB2 ARG A 54 -17.562 -6.994 3.233 1.00 2.41 H new ATOM 0 HB3 ARG A 54 -19.037 -6.051 3.304 1.00 2.41 H new ATOM 0 HG2 ARG A 54 -18.645 -7.010 5.468 1.00 43.13 H new ATOM 0 HG3 ARG A 54 -20.054 -7.786 4.772 1.00 43.13 H new ATOM 0 HD2 ARG A 54 -18.811 -9.773 4.226 1.00 71.02 H new ATOM 0 HD3 ARG A 54 -17.277 -8.988 4.549 1.00 71.02 H new ATOM 0 HE ARG A 54 -19.209 -9.999 6.555 1.00 31.31 H new ATOM 0 HH11 ARG A 54 -16.314 -8.150 5.818 1.00 44.12 H new ATOM 0 HH12 ARG A 54 -15.675 -8.244 7.463 1.00 44.12 H new ATOM 0 HH21 ARG A 54 -18.404 -10.091 8.710 1.00 64.54 H new ATOM 0 HH22 ARG A 54 -16.852 -9.339 9.094 1.00 64.54 H new ATOM 887 N HIS A 55 -21.003 -9.458 2.031 1.00 42.24 N ATOM 888 CA HIS A 55 -22.381 -9.935 2.198 1.00 10.45 C ATOM 889 C HIS A 55 -23.368 -9.102 1.384 1.00 51.34 C ATOM 890 O HIS A 55 -24.552 -9.032 1.710 1.00 41.43 O ATOM 891 CB HIS A 55 -22.789 -9.910 3.675 1.00 51.42 C ATOM 892 CG HIS A 55 -22.408 -11.140 4.433 1.00 13.35 C ATOM 893 ND1 HIS A 55 -23.325 -12.050 4.908 1.00 1.22 N ATOM 894 CD2 HIS A 55 -21.187 -11.602 4.819 1.00 73.30 C ATOM 895 CE1 HIS A 55 -22.660 -13.006 5.553 1.00 62.24 C ATOM 896 NE2 HIS A 55 -21.363 -12.785 5.531 1.00 34.11 N ATOM 0 H HIS A 55 -20.363 -10.151 1.643 1.00 42.24 H new ATOM 0 HA HIS A 55 -22.411 -10.961 1.831 1.00 10.45 H new ATOM 0 HB2 HIS A 55 -22.330 -9.045 4.153 1.00 51.42 H new ATOM 0 HB3 HIS A 55 -23.869 -9.775 3.741 1.00 51.42 H new ATOM 0 HD2 HIS A 55 -20.239 -11.129 4.608 1.00 73.30 H new ATOM 0 HE1 HIS A 55 -23.125 -13.854 6.033 1.00 62.24 H new ATOM 0 HE2 HIS A 55 -20.635 -13.363 5.950 1.00 34.11 H new ATOM 904 N GLY A 56 -22.881 -8.480 0.320 1.00 42.43 N ATOM 905 CA GLY A 56 -23.731 -7.630 -0.490 1.00 33.41 C ATOM 906 C GLY A 56 -23.672 -6.178 -0.055 1.00 22.15 C ATOM 907 O GLY A 56 -24.142 -5.289 -0.766 1.00 1.55 O ATOM 0 H GLY A 56 -21.914 -8.548 0.003 1.00 42.43 H new ATOM 0 HA2 GLY A 56 -23.429 -7.707 -1.535 1.00 33.41 H new ATOM 0 HA3 GLY A 56 -24.760 -7.984 -0.429 1.00 33.41 H new ATOM 911 N ASN A 57 -23.089 -5.939 1.115 1.00 42.00 N ATOM 912 CA ASN A 57 -22.939 -4.584 1.639 1.00 20.43 C ATOM 913 C ASN A 57 -21.611 -4.002 1.182 1.00 52.23 C ATOM 914 O ASN A 57 -20.816 -4.682 0.527 1.00 13.44 O ATOM 915 CB ASN A 57 -22.977 -4.563 3.174 1.00 1.34 C ATOM 916 CG ASN A 57 -24.082 -5.413 3.768 1.00 35.01 C ATOM 917 OD1 ASN A 57 -25.213 -4.962 3.949 1.00 31.32 O ATOM 918 ND2 ASN A 57 -23.748 -6.648 4.100 1.00 74.52 N ATOM 0 H ASN A 57 -22.711 -6.668 1.721 1.00 42.00 H new ATOM 0 HA ASN A 57 -23.771 -3.991 1.259 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -22.018 -4.911 3.557 1.00 1.34 H new ATOM 0 HB3 ASN A 57 -23.101 -3.534 3.511 1.00 1.34 H new ATOM 0 HD21 ASN A 57 -24.439 -7.267 4.524 1.00 74.52 H new ATOM 0 HD22 ASN A 57 -22.799 -6.982 3.933 1.00 74.52 H new ATOM 925 N ILE A 58 -21.363 -2.761 1.554 1.00 63.11 N ATOM 926 CA ILE A 58 -20.128 -2.086 1.199 1.00 22.00 C ATOM 927 C ILE A 58 -19.324 -1.750 2.445 1.00 2.42 C ATOM 928 O ILE A 58 -19.798 -1.044 3.336 1.00 33.53 O ATOM 929 CB ILE A 58 -20.409 -0.804 0.386 1.00 61.21 C ATOM 930 CG1 ILE A 58 -20.899 -1.175 -1.016 1.00 14.21 C ATOM 931 CG2 ILE A 58 -19.173 0.087 0.311 1.00 35.15 C ATOM 932 CD1 ILE A 58 -19.839 -1.827 -1.873 1.00 23.43 C ATOM 0 H ILE A 58 -22.006 -2.195 2.107 1.00 63.11 H new ATOM 0 HA ILE A 58 -19.545 -2.765 0.577 1.00 22.00 H new ATOM 0 HB ILE A 58 -21.189 -0.237 0.895 1.00 61.21 H new ATOM 0 HG12 ILE A 58 -21.750 -1.851 -0.928 1.00 14.21 H new ATOM 0 HG13 ILE A 58 -21.257 -0.275 -1.517 1.00 14.21 H new ATOM 0 HG21 ILE A 58 -19.404 0.981 -0.268 1.00 35.15 H new ATOM 0 HG22 ILE A 58 -18.870 0.375 1.318 1.00 35.15 H new ATOM 0 HG23 ILE A 58 -18.361 -0.457 -0.171 1.00 35.15 H new ATOM 0 HD11 ILE A 58 -20.257 -2.062 -2.852 1.00 23.43 H new ATOM 0 HD12 ILE A 58 -18.997 -1.145 -1.992 1.00 23.43 H new ATOM 0 HD13 ILE A 58 -19.498 -2.745 -1.394 1.00 23.43 H new ATOM 944 N VAL A 59 -18.120 -2.289 2.512 1.00 35.02 N ATOM 945 CA VAL A 59 -17.216 -1.998 3.615 1.00 73.44 C ATOM 946 C VAL A 59 -16.244 -0.894 3.225 1.00 31.32 C ATOM 947 O VAL A 59 -15.925 -0.012 4.023 1.00 1.33 O ATOM 948 CB VAL A 59 -16.427 -3.249 4.058 1.00 54.32 C ATOM 949 CG1 VAL A 59 -15.342 -2.885 5.060 1.00 12.24 C ATOM 950 CG2 VAL A 59 -17.366 -4.280 4.657 1.00 64.51 C ATOM 0 H VAL A 59 -17.743 -2.932 1.815 1.00 35.02 H new ATOM 0 HA VAL A 59 -17.827 -1.669 4.455 1.00 73.44 H new ATOM 0 HB VAL A 59 -15.948 -3.675 3.176 1.00 54.32 H new ATOM 0 HG11 VAL A 59 -14.802 -3.785 5.355 1.00 12.24 H new ATOM 0 HG12 VAL A 59 -14.648 -2.179 4.604 1.00 12.24 H new ATOM 0 HG13 VAL A 59 -15.797 -2.430 5.940 1.00 12.24 H new ATOM 0 HG21 VAL A 59 -16.796 -5.156 4.965 1.00 64.51 H new ATOM 0 HG22 VAL A 59 -17.870 -3.853 5.524 1.00 64.51 H new ATOM 0 HG23 VAL A 59 -18.107 -4.572 3.913 1.00 64.51 H new ATOM 960 N ALA A 60 -15.785 -0.937 1.987 1.00 62.31 N ATOM 961 CA ALA A 60 -14.873 0.080 1.492 1.00 64.44 C ATOM 962 C ALA A 60 -15.358 0.630 0.166 1.00 72.31 C ATOM 963 O ALA A 60 -15.869 -0.114 -0.669 1.00 52.11 O ATOM 964 CB ALA A 60 -13.465 -0.477 1.349 1.00 63.31 C ATOM 0 H ALA A 60 -16.026 -1.660 1.309 1.00 62.31 H new ATOM 0 HA ALA A 60 -14.848 0.893 2.218 1.00 64.44 H new ATOM 0 HB1 ALA A 60 -12.801 0.303 0.977 1.00 63.31 H new ATOM 0 HB2 ALA A 60 -13.110 -0.823 2.320 1.00 63.31 H new ATOM 0 HB3 ALA A 60 -13.473 -1.311 0.648 1.00 63.31 H new ATOM 970 N TYR A 61 -15.211 1.929 -0.020 1.00 73.55 N ATOM 971 CA TYR A 61 -15.590 2.560 -1.268 1.00 43.42 C ATOM 972 C TYR A 61 -14.589 3.643 -1.635 1.00 44.32 C ATOM 973 O TYR A 61 -14.028 4.298 -0.757 1.00 54.11 O ATOM 974 CB TYR A 61 -16.999 3.159 -1.176 1.00 52.53 C ATOM 975 CG TYR A 61 -17.503 3.664 -2.505 1.00 55.35 C ATOM 976 CD1 TYR A 61 -17.734 2.778 -3.539 1.00 13.22 C ATOM 977 CD2 TYR A 61 -17.720 5.016 -2.736 1.00 54.25 C ATOM 978 CE1 TYR A 61 -18.161 3.209 -4.773 1.00 22.11 C ATOM 979 CE2 TYR A 61 -18.158 5.461 -3.971 1.00 4.05 C ATOM 980 CZ TYR A 61 -18.372 4.550 -4.987 1.00 2.32 C ATOM 981 OH TYR A 61 -18.789 4.982 -6.223 1.00 4.31 O ATOM 0 H TYR A 61 -14.831 2.567 0.679 1.00 73.55 H new ATOM 0 HA TYR A 61 -15.592 1.796 -2.046 1.00 43.42 H new ATOM 0 HB2 TYR A 61 -17.686 2.404 -0.794 1.00 52.53 H new ATOM 0 HB3 TYR A 61 -16.995 3.979 -0.458 1.00 52.53 H new ATOM 0 HD1 TYR A 61 -17.576 1.722 -3.375 1.00 13.22 H new ATOM 0 HD2 TYR A 61 -17.545 5.728 -1.943 1.00 54.25 H new ATOM 0 HE1 TYR A 61 -18.329 2.498 -5.569 1.00 22.11 H new ATOM 0 HE2 TYR A 61 -18.331 6.514 -4.139 1.00 4.05 H new ATOM 0 HH TYR A 61 -19.754 4.838 -6.311 1.00 4.31 H new ATOM 991 N GLY A 62 -14.353 3.801 -2.927 1.00 44.44 N ATOM 992 CA GLY A 62 -13.495 4.855 -3.410 1.00 75.33 C ATOM 993 C GLY A 62 -13.757 5.156 -4.869 1.00 51.30 C ATOM 994 O GLY A 62 -13.297 4.431 -5.745 1.00 72.33 O ATOM 0 H GLY A 62 -14.748 3.208 -3.657 1.00 44.44 H new ATOM 0 HA2 GLY A 62 -13.654 5.756 -2.817 1.00 75.33 H new ATOM 0 HA3 GLY A 62 -12.452 4.566 -3.278 1.00 75.33 H new ATOM 998 N LYS A 63 -14.524 6.203 -5.133 1.00 41.34 N ATOM 999 CA LYS A 63 -14.797 6.606 -6.503 1.00 33.24 C ATOM 1000 C LYS A 63 -13.780 7.655 -6.944 1.00 3.52 C ATOM 1001 O LYS A 63 -13.718 8.747 -6.378 1.00 13.34 O ATOM 1002 CB LYS A 63 -16.218 7.170 -6.644 1.00 60.35 C ATOM 1003 CG LYS A 63 -16.616 7.391 -8.094 1.00 4.14 C ATOM 1004 CD LYS A 63 -17.750 8.398 -8.257 1.00 35.33 C ATOM 1005 CE LYS A 63 -19.080 7.735 -8.596 1.00 31.30 C ATOM 1006 NZ LYS A 63 -19.732 7.120 -7.413 1.00 3.50 N ATOM 0 H LYS A 63 -14.966 6.785 -4.421 1.00 41.34 H new ATOM 0 HA LYS A 63 -14.716 5.725 -7.139 1.00 33.24 H new ATOM 0 HB2 LYS A 63 -16.925 6.485 -6.177 1.00 60.35 H new ATOM 0 HB3 LYS A 63 -16.286 8.115 -6.104 1.00 60.35 H new ATOM 0 HG2 LYS A 63 -15.747 7.737 -8.654 1.00 4.14 H new ATOM 0 HG3 LYS A 63 -16.918 6.439 -8.531 1.00 4.14 H new ATOM 0 HD2 LYS A 63 -17.858 8.970 -7.335 1.00 35.33 H new ATOM 0 HD3 LYS A 63 -17.491 9.107 -9.043 1.00 35.33 H new ATOM 0 HE2 LYS A 63 -19.750 8.476 -9.031 1.00 31.30 H new ATOM 0 HE3 LYS A 63 -18.917 6.969 -9.355 1.00 31.30 H new ATOM 0 HZ1 LYS A 63 -20.676 6.774 -7.678 1.00 3.50 H new ATOM 0 HZ2 LYS A 63 -19.155 6.325 -7.073 1.00 3.50 H new ATOM 0 HZ3 LYS A 63 -19.823 7.830 -6.658 1.00 3.50 H new ATOM 1020 N SER A 64 -12.969 7.319 -7.935 1.00 32.22 N ATOM 1021 CA SER A 64 -11.973 8.248 -8.446 1.00 1.04 C ATOM 1022 C SER A 64 -11.832 8.115 -9.951 1.00 45.13 C ATOM 1023 O SER A 64 -12.239 7.116 -10.534 1.00 51.10 O ATOM 1024 CB SER A 64 -10.624 8.003 -7.776 1.00 31.45 C ATOM 1025 OG SER A 64 -10.714 8.199 -6.379 1.00 61.35 O ATOM 0 H SER A 64 -12.981 6.412 -8.401 1.00 32.22 H new ATOM 0 HA SER A 64 -12.306 9.260 -8.216 1.00 1.04 H new ATOM 0 HB2 SER A 64 -10.289 6.987 -7.984 1.00 31.45 H new ATOM 0 HB3 SER A 64 -9.877 8.677 -8.195 1.00 31.45 H new ATOM 0 HG SER A 64 -10.852 9.151 -6.190 1.00 61.35 H new ATOM 1031 N ARG A 65 -11.249 9.126 -10.574 1.00 11.14 N ATOM 1032 CA ARG A 65 -11.021 9.115 -12.011 1.00 34.25 C ATOM 1033 C ARG A 65 -9.822 8.243 -12.334 1.00 43.43 C ATOM 1034 O ARG A 65 -9.663 7.771 -13.459 1.00 74.32 O ATOM 1035 CB ARG A 65 -10.784 10.536 -12.521 1.00 43.34 C ATOM 1036 CG ARG A 65 -11.971 11.461 -12.320 1.00 24.41 C ATOM 1037 CD ARG A 65 -11.595 12.913 -12.557 1.00 11.21 C ATOM 1038 NE ARG A 65 -11.110 13.148 -13.917 1.00 53.04 N ATOM 1039 CZ ARG A 65 -9.864 13.522 -14.207 1.00 60.42 C ATOM 1040 NH1 ARG A 65 -8.950 13.614 -13.249 1.00 31.41 N ATOM 1041 NH2 ARG A 65 -9.526 13.783 -15.461 1.00 52.44 N ATOM 0 H ARG A 65 -10.923 9.970 -10.104 1.00 11.14 H new ATOM 0 HA ARG A 65 -11.904 8.709 -12.505 1.00 34.25 H new ATOM 0 HB2 ARG A 65 -9.917 10.956 -12.011 1.00 43.34 H new ATOM 0 HB3 ARG A 65 -10.541 10.496 -13.583 1.00 43.34 H new ATOM 0 HG2 ARG A 65 -12.774 11.177 -13.000 1.00 24.41 H new ATOM 0 HG3 ARG A 65 -12.356 11.345 -11.307 1.00 24.41 H new ATOM 0 HD2 ARG A 65 -12.463 13.546 -12.369 1.00 11.21 H new ATOM 0 HD3 ARG A 65 -10.825 13.207 -11.844 1.00 11.21 H new ATOM 0 HE ARG A 65 -11.764 13.018 -14.689 1.00 53.04 H new ATOM 0 HH11 ARG A 65 -9.199 13.398 -12.284 1.00 31.41 H new ATOM 0 HH12 ARG A 65 -7.998 13.901 -13.478 1.00 31.41 H new ATOM 0 HH21 ARG A 65 -10.219 13.698 -16.204 1.00 52.44 H new ATOM 0 HH22 ARG A 65 -8.573 14.069 -15.683 1.00 52.44 H new ATOM 1055 N LYS A 66 -8.980 8.037 -11.332 1.00 11.34 N ATOM 1056 CA LYS A 66 -7.803 7.213 -11.490 1.00 14.11 C ATOM 1057 C LYS A 66 -7.966 5.907 -10.723 1.00 61.24 C ATOM 1058 O LYS A 66 -8.365 5.910 -9.555 1.00 15.45 O ATOM 1059 CB LYS A 66 -6.561 7.958 -11.005 1.00 4.34 C ATOM 1060 CG LYS A 66 -5.295 7.531 -11.724 1.00 52.10 C ATOM 1061 CD LYS A 66 -5.406 7.807 -13.215 1.00 53.03 C ATOM 1062 CE LYS A 66 -4.204 7.287 -13.978 1.00 74.12 C ATOM 1063 NZ LYS A 66 -4.346 7.498 -15.442 1.00 71.30 N ATOM 0 H LYS A 66 -9.096 8.433 -10.399 1.00 11.34 H new ATOM 0 HA LYS A 66 -7.680 6.985 -12.549 1.00 14.11 H new ATOM 0 HB2 LYS A 66 -6.708 9.029 -11.145 1.00 4.34 H new ATOM 0 HB3 LYS A 66 -6.439 7.791 -9.935 1.00 4.34 H new ATOM 0 HG2 LYS A 66 -4.439 8.066 -11.313 1.00 52.10 H new ATOM 0 HG3 LYS A 66 -5.117 6.469 -11.558 1.00 52.10 H new ATOM 0 HD2 LYS A 66 -6.312 7.341 -13.604 1.00 53.03 H new ATOM 0 HD3 LYS A 66 -5.503 8.880 -13.379 1.00 53.03 H new ATOM 0 HE2 LYS A 66 -3.304 7.789 -13.624 1.00 74.12 H new ATOM 0 HE3 LYS A 66 -4.077 6.224 -13.775 1.00 74.12 H new ATOM 0 HZ1 LYS A 66 -3.504 7.129 -15.929 1.00 71.30 H new ATOM 0 HZ2 LYS A 66 -5.191 6.998 -15.784 1.00 71.30 H new ATOM 0 HZ3 LYS A 66 -4.442 8.515 -15.638 1.00 71.30 H new ATOM 1077 N VAL A 67 -7.643 4.806 -11.390 1.00 12.12 N ATOM 1078 CA VAL A 67 -7.781 3.464 -10.833 1.00 71.13 C ATOM 1079 C VAL A 67 -7.065 3.332 -9.486 1.00 31.35 C ATOM 1080 O VAL A 67 -7.594 2.746 -8.544 1.00 32.34 O ATOM 1081 CB VAL A 67 -7.234 2.404 -11.830 1.00 11.35 C ATOM 1082 CG1 VAL A 67 -5.777 2.666 -12.170 1.00 72.33 C ATOM 1083 CG2 VAL A 67 -7.397 0.988 -11.296 1.00 20.13 C ATOM 0 H VAL A 67 -7.275 4.818 -12.341 1.00 12.12 H new ATOM 0 HA VAL A 67 -8.844 3.288 -10.666 1.00 71.13 H new ATOM 0 HB VAL A 67 -7.827 2.494 -12.740 1.00 11.35 H new ATOM 0 HG11 VAL A 67 -5.424 1.908 -12.869 1.00 72.33 H new ATOM 0 HG12 VAL A 67 -5.681 3.652 -12.625 1.00 72.33 H new ATOM 0 HG13 VAL A 67 -5.178 2.627 -11.260 1.00 72.33 H new ATOM 0 HG21 VAL A 67 -7.003 0.278 -12.022 1.00 20.13 H new ATOM 0 HG22 VAL A 67 -6.852 0.888 -10.358 1.00 20.13 H new ATOM 0 HG23 VAL A 67 -8.454 0.783 -11.125 1.00 20.13 H new ATOM 1093 N ALA A 68 -5.877 3.910 -9.393 1.00 53.53 N ATOM 1094 CA ALA A 68 -5.037 3.741 -8.220 1.00 54.53 C ATOM 1095 C ALA A 68 -5.502 4.605 -7.054 1.00 3.42 C ATOM 1096 O ALA A 68 -5.397 4.200 -5.898 1.00 2.24 O ATOM 1097 CB ALA A 68 -3.597 4.042 -8.576 1.00 31.23 C ATOM 0 H ALA A 68 -5.473 4.502 -10.119 1.00 53.53 H new ATOM 0 HA ALA A 68 -5.117 2.704 -7.894 1.00 54.53 H new ATOM 0 HB1 ALA A 68 -2.970 3.914 -7.694 1.00 31.23 H new ATOM 0 HB2 ALA A 68 -3.265 3.360 -9.359 1.00 31.23 H new ATOM 0 HB3 ALA A 68 -3.517 5.069 -8.932 1.00 31.23 H new ATOM 1103 N ASN A 69 -6.023 5.791 -7.351 1.00 23.31 N ATOM 1104 CA ASN A 69 -6.522 6.671 -6.298 1.00 0.32 C ATOM 1105 C ASN A 69 -7.773 6.065 -5.687 1.00 5.04 C ATOM 1106 O ASN A 69 -7.948 6.062 -4.470 1.00 45.15 O ATOM 1107 CB ASN A 69 -6.830 8.067 -6.842 1.00 50.11 C ATOM 1108 CG ASN A 69 -7.093 9.078 -5.737 1.00 74.20 C ATOM 1109 OD1 ASN A 69 -6.166 9.704 -5.221 1.00 40.50 O ATOM 1110 ND2 ASN A 69 -8.354 9.253 -5.373 1.00 50.44 N ATOM 0 H ASN A 69 -6.111 6.162 -8.297 1.00 23.31 H new ATOM 0 HA ASN A 69 -5.749 6.772 -5.536 1.00 0.32 H new ATOM 0 HB2 ASN A 69 -5.993 8.409 -7.451 1.00 50.11 H new ATOM 0 HB3 ASN A 69 -7.700 8.014 -7.497 1.00 50.11 H new ATOM 0 HD21 ASN A 69 -8.585 9.925 -4.642 1.00 50.44 H new ATOM 0 HD22 ASN A 69 -9.094 8.716 -5.824 1.00 50.44 H new ATOM 1117 N ALA A 70 -8.627 5.539 -6.555 1.00 52.03 N ATOM 1118 CA ALA A 70 -9.834 4.848 -6.134 1.00 33.51 C ATOM 1119 C ALA A 70 -9.492 3.672 -5.223 1.00 35.02 C ATOM 1120 O ALA A 70 -10.129 3.466 -4.186 1.00 53.24 O ATOM 1121 CB ALA A 70 -10.598 4.375 -7.359 1.00 41.02 C ATOM 0 H ALA A 70 -8.502 5.580 -7.566 1.00 52.03 H new ATOM 0 HA ALA A 70 -10.461 5.536 -5.567 1.00 33.51 H new ATOM 0 HB1 ALA A 70 -11.504 3.856 -7.045 1.00 41.02 H new ATOM 0 HB2 ALA A 70 -10.866 5.234 -7.974 1.00 41.02 H new ATOM 0 HB3 ALA A 70 -9.973 3.695 -7.938 1.00 41.02 H new ATOM 1127 N LYS A 71 -8.476 2.910 -5.622 1.00 45.21 N ATOM 1128 CA LYS A 71 -7.950 1.831 -4.796 1.00 51.11 C ATOM 1129 C LYS A 71 -7.553 2.352 -3.433 1.00 5.43 C ATOM 1130 O LYS A 71 -7.953 1.807 -2.406 1.00 4.50 O ATOM 1131 CB LYS A 71 -6.714 1.214 -5.439 1.00 51.43 C ATOM 1132 CG LYS A 71 -6.998 0.339 -6.627 1.00 22.43 C ATOM 1133 CD LYS A 71 -5.705 -0.175 -7.232 1.00 43.14 C ATOM 1134 CE LYS A 71 -5.958 -1.073 -8.425 1.00 3.40 C ATOM 1135 NZ LYS A 71 -6.462 -2.412 -8.014 1.00 22.21 N ATOM 0 H LYS A 71 -8.000 3.023 -6.517 1.00 45.21 H new ATOM 0 HA LYS A 71 -8.735 1.081 -4.700 1.00 51.11 H new ATOM 0 HB2 LYS A 71 -6.042 2.015 -5.747 1.00 51.43 H new ATOM 0 HB3 LYS A 71 -6.186 0.626 -4.689 1.00 51.43 H new ATOM 0 HG2 LYS A 71 -7.624 -0.501 -6.326 1.00 22.43 H new ATOM 0 HG3 LYS A 71 -7.557 0.901 -7.375 1.00 22.43 H new ATOM 0 HD2 LYS A 71 -5.086 0.669 -7.537 1.00 43.14 H new ATOM 0 HD3 LYS A 71 -5.144 -0.725 -6.476 1.00 43.14 H new ATOM 0 HE2 LYS A 71 -6.682 -0.600 -9.088 1.00 3.40 H new ATOM 0 HE3 LYS A 71 -5.035 -1.191 -8.993 1.00 3.40 H new ATOM 0 HZ1 LYS A 71 -6.128 -3.130 -8.688 1.00 22.21 H new ATOM 0 HZ2 LYS A 71 -6.109 -2.639 -7.062 1.00 22.21 H new ATOM 0 HZ3 LYS A 71 -7.502 -2.404 -8.004 1.00 22.21 H new ATOM 1149 N TYR A 72 -6.762 3.413 -3.446 1.00 44.22 N ATOM 1150 CA TYR A 72 -6.186 3.969 -2.237 1.00 0.22 C ATOM 1151 C TYR A 72 -7.257 4.246 -1.188 1.00 73.45 C ATOM 1152 O TYR A 72 -7.113 3.878 -0.021 1.00 61.44 O ATOM 1153 CB TYR A 72 -5.422 5.254 -2.582 1.00 22.01 C ATOM 1154 CG TYR A 72 -5.097 6.138 -1.397 1.00 33.00 C ATOM 1155 CD1 TYR A 72 -3.977 5.905 -0.611 1.00 25.54 C ATOM 1156 CD2 TYR A 72 -5.913 7.217 -1.079 1.00 25.14 C ATOM 1157 CE1 TYR A 72 -3.678 6.722 0.463 1.00 32.30 C ATOM 1158 CE2 TYR A 72 -5.622 8.040 -0.007 1.00 25.20 C ATOM 1159 CZ TYR A 72 -4.504 7.788 0.761 1.00 40.52 C ATOM 1160 OH TYR A 72 -4.205 8.607 1.829 1.00 3.22 O ATOM 0 H TYR A 72 -6.502 3.912 -4.297 1.00 44.22 H new ATOM 0 HA TYR A 72 -5.496 3.240 -1.812 1.00 0.22 H new ATOM 0 HB2 TYR A 72 -4.492 4.984 -3.081 1.00 22.01 H new ATOM 0 HB3 TYR A 72 -6.011 5.830 -3.296 1.00 22.01 H new ATOM 0 HD1 TYR A 72 -3.329 5.072 -0.842 1.00 25.54 H new ATOM 0 HD2 TYR A 72 -6.789 7.416 -1.679 1.00 25.14 H new ATOM 0 HE1 TYR A 72 -2.803 6.528 1.066 1.00 32.30 H new ATOM 0 HE2 TYR A 72 -6.266 8.875 0.228 1.00 25.20 H new ATOM 0 HH TYR A 72 -4.884 9.310 1.903 1.00 3.22 H new ATOM 1170 N ILE A 73 -8.335 4.873 -1.625 1.00 21.22 N ATOM 1171 CA ILE A 73 -9.424 5.253 -0.739 1.00 63.43 C ATOM 1172 C ILE A 73 -10.054 4.036 -0.076 1.00 54.14 C ATOM 1173 O ILE A 73 -10.124 3.955 1.152 1.00 52.10 O ATOM 1174 CB ILE A 73 -10.498 6.025 -1.520 1.00 64.32 C ATOM 1175 CG1 ILE A 73 -9.864 7.246 -2.182 1.00 41.15 C ATOM 1176 CG2 ILE A 73 -11.645 6.432 -0.602 1.00 63.03 C ATOM 1177 CD1 ILE A 73 -10.671 7.799 -3.327 1.00 10.14 C ATOM 0 H ILE A 73 -8.481 5.133 -2.600 1.00 21.22 H new ATOM 0 HA ILE A 73 -9.008 5.891 0.041 1.00 63.43 H new ATOM 0 HB ILE A 73 -10.912 5.380 -2.295 1.00 64.32 H new ATOM 0 HG12 ILE A 73 -9.730 8.026 -1.433 1.00 41.15 H new ATOM 0 HG13 ILE A 73 -8.871 6.978 -2.544 1.00 41.15 H new ATOM 0 HG21 ILE A 73 -12.394 6.977 -1.176 1.00 63.03 H new ATOM 0 HG22 ILE A 73 -12.098 5.540 -0.169 1.00 63.03 H new ATOM 0 HG23 ILE A 73 -11.264 7.070 0.196 1.00 63.03 H new ATOM 0 HD11 ILE A 73 -10.159 8.664 -3.748 1.00 10.14 H new ATOM 0 HD12 ILE A 73 -10.783 7.034 -4.096 1.00 10.14 H new ATOM 0 HD13 ILE A 73 -11.655 8.099 -2.967 1.00 10.14 H new ATOM 1189 N MET A 74 -10.493 3.081 -0.889 1.00 64.44 N ATOM 1190 CA MET A 74 -11.166 1.900 -0.366 1.00 14.15 C ATOM 1191 C MET A 74 -10.217 1.078 0.510 1.00 4.01 C ATOM 1192 O MET A 74 -10.607 0.610 1.580 1.00 65.24 O ATOM 1193 CB MET A 74 -11.731 1.029 -1.499 1.00 15.32 C ATOM 1194 CG MET A 74 -10.672 0.405 -2.377 1.00 4.35 C ATOM 1195 SD MET A 74 -11.298 -0.977 -3.337 1.00 41.13 S ATOM 1196 CE MET A 74 -9.816 -1.966 -3.392 1.00 62.52 C ATOM 0 H MET A 74 -10.396 3.102 -1.904 1.00 64.44 H new ATOM 0 HA MET A 74 -12.000 2.242 0.246 1.00 14.15 H new ATOM 0 HB2 MET A 74 -12.342 0.238 -1.065 1.00 15.32 H new ATOM 0 HB3 MET A 74 -12.390 1.638 -2.118 1.00 15.32 H new ATOM 0 HG2 MET A 74 -10.274 1.162 -3.053 1.00 4.35 H new ATOM 0 HG3 MET A 74 -9.844 0.065 -1.755 1.00 4.35 H new ATOM 0 HE1 MET A 74 -10.009 -2.880 -3.954 1.00 62.52 H new ATOM 0 HE2 MET A 74 -9.020 -1.402 -3.878 1.00 62.52 H new ATOM 0 HE3 MET A 74 -9.512 -2.222 -2.377 1.00 62.52 H new ATOM 1206 N LYS A 75 -8.968 0.929 0.066 1.00 64.32 N ATOM 1207 CA LYS A 75 -7.978 0.148 0.801 1.00 24.12 C ATOM 1208 C LYS A 75 -7.777 0.700 2.204 1.00 33.53 C ATOM 1209 O LYS A 75 -7.765 -0.050 3.175 1.00 13.35 O ATOM 1210 CB LYS A 75 -6.647 0.136 0.051 1.00 51.44 C ATOM 1211 CG LYS A 75 -6.677 -0.679 -1.229 1.00 23.53 C ATOM 1212 CD LYS A 75 -5.470 -0.382 -2.096 1.00 33.42 C ATOM 1213 CE LYS A 75 -5.474 -1.203 -3.376 1.00 52.05 C ATOM 1214 NZ LYS A 75 -5.164 -2.639 -3.136 1.00 32.21 N ATOM 0 H LYS A 75 -8.620 1.340 -0.800 1.00 64.32 H new ATOM 0 HA LYS A 75 -8.351 -0.873 0.884 1.00 24.12 H new ATOM 0 HB2 LYS A 75 -6.365 1.161 -0.188 1.00 51.44 H new ATOM 0 HB3 LYS A 75 -5.873 -0.263 0.707 1.00 51.44 H new ATOM 0 HG2 LYS A 75 -6.701 -1.741 -0.986 1.00 23.53 H new ATOM 0 HG3 LYS A 75 -7.589 -0.458 -1.783 1.00 23.53 H new ATOM 0 HD2 LYS A 75 -5.455 0.679 -2.346 1.00 33.42 H new ATOM 0 HD3 LYS A 75 -4.560 -0.590 -1.534 1.00 33.42 H new ATOM 0 HE2 LYS A 75 -6.451 -1.121 -3.853 1.00 52.05 H new ATOM 0 HE3 LYS A 75 -4.744 -0.789 -4.071 1.00 52.05 H new ATOM 0 HZ1 LYS A 75 -4.752 -3.054 -3.996 1.00 32.21 H new ATOM 0 HZ2 LYS A 75 -4.485 -2.721 -2.353 1.00 32.21 H new ATOM 0 HZ3 LYS A 75 -6.038 -3.147 -2.891 1.00 32.21 H new ATOM 1228 N GLN A 76 -7.647 2.017 2.305 1.00 4.11 N ATOM 1229 CA GLN A 76 -7.449 2.676 3.592 1.00 33.20 C ATOM 1230 C GLN A 76 -8.665 2.510 4.502 1.00 54.41 C ATOM 1231 O GLN A 76 -8.548 2.618 5.723 1.00 33.30 O ATOM 1232 CB GLN A 76 -7.145 4.160 3.386 1.00 35.03 C ATOM 1233 CG GLN A 76 -5.759 4.422 2.819 1.00 65.32 C ATOM 1234 CD GLN A 76 -4.651 3.935 3.734 1.00 24.24 C ATOM 1235 OE1 GLN A 76 -4.802 3.908 4.954 1.00 23.42 O ATOM 1236 NE2 GLN A 76 -3.531 3.543 3.151 1.00 43.54 N ATOM 0 H GLN A 76 -7.675 2.653 1.508 1.00 4.11 H new ATOM 0 HA GLN A 76 -6.599 2.200 4.080 1.00 33.20 H new ATOM 0 HB2 GLN A 76 -7.890 4.586 2.714 1.00 35.03 H new ATOM 0 HB3 GLN A 76 -7.243 4.679 4.340 1.00 35.03 H new ATOM 0 HG2 GLN A 76 -5.668 3.930 1.851 1.00 65.32 H new ATOM 0 HG3 GLN A 76 -5.638 5.491 2.646 1.00 65.32 H new ATOM 0 HE21 GLN A 76 -3.444 3.581 2.135 1.00 43.54 H new ATOM 0 HE22 GLN A 76 -2.753 3.203 3.717 1.00 43.54 H new ATOM 1245 N ARG A 77 -9.828 2.248 3.909 1.00 73.32 N ATOM 1246 CA ARG A 77 -11.042 2.028 4.688 1.00 71.54 C ATOM 1247 C ARG A 77 -10.917 0.779 5.545 1.00 13.42 C ATOM 1248 O ARG A 77 -10.868 0.870 6.770 1.00 22.51 O ATOM 1249 CB ARG A 77 -12.272 1.917 3.789 1.00 62.10 C ATOM 1250 CG ARG A 77 -12.581 3.185 3.016 1.00 73.23 C ATOM 1251 CD ARG A 77 -12.673 4.395 3.936 1.00 33.33 C ATOM 1252 NE ARG A 77 -13.675 4.223 4.992 1.00 54.51 N ATOM 1253 CZ ARG A 77 -13.446 4.464 6.286 1.00 52.44 C ATOM 1254 NH1 ARG A 77 -12.232 4.825 6.691 1.00 44.32 N ATOM 1255 NH2 ARG A 77 -14.426 4.335 7.173 1.00 12.32 N ATOM 0 H ARG A 77 -9.954 2.183 2.899 1.00 73.32 H new ATOM 0 HA ARG A 77 -11.169 2.894 5.338 1.00 71.54 H new ATOM 0 HB2 ARG A 77 -12.122 1.100 3.083 1.00 62.10 H new ATOM 0 HB3 ARG A 77 -13.135 1.656 4.401 1.00 62.10 H new ATOM 0 HG2 ARG A 77 -11.806 3.354 2.268 1.00 73.23 H new ATOM 0 HG3 ARG A 77 -13.521 3.064 2.478 1.00 73.23 H new ATOM 0 HD2 ARG A 77 -11.699 4.577 4.390 1.00 33.33 H new ATOM 0 HD3 ARG A 77 -12.919 5.278 3.346 1.00 33.33 H new ATOM 0 HE ARG A 77 -14.604 3.899 4.722 1.00 54.51 H new ATOM 0 HH11 ARG A 77 -11.475 4.918 6.014 1.00 44.32 H new ATOM 0 HH12 ARG A 77 -12.058 5.009 7.679 1.00 44.32 H new ATOM 0 HH21 ARG A 77 -15.357 4.051 6.867 1.00 12.32 H new ATOM 0 HH22 ARG A 77 -14.248 4.520 8.160 1.00 12.32 H new ATOM 1269 N LEU A 78 -10.854 -0.391 4.908 1.00 32.25 N ATOM 1270 CA LEU A 78 -10.722 -1.639 5.667 1.00 62.51 C ATOM 1271 C LEU A 78 -9.396 -1.683 6.417 1.00 31.31 C ATOM 1272 O LEU A 78 -9.308 -2.284 7.486 1.00 60.35 O ATOM 1273 CB LEU A 78 -10.835 -2.885 4.786 1.00 43.14 C ATOM 1274 CG LEU A 78 -11.294 -2.664 3.349 1.00 43.52 C ATOM 1275 CD1 LEU A 78 -10.140 -2.202 2.478 1.00 10.02 C ATOM 1276 CD2 LEU A 78 -11.870 -3.941 2.794 1.00 21.32 C ATOM 0 H LEU A 78 -10.891 -0.503 3.895 1.00 32.25 H new ATOM 0 HA LEU A 78 -11.552 -1.648 6.374 1.00 62.51 H new ATOM 0 HB2 LEU A 78 -9.861 -3.375 4.761 1.00 43.14 H new ATOM 0 HB3 LEU A 78 -11.528 -3.578 5.263 1.00 43.14 H new ATOM 0 HG LEU A 78 -12.060 -1.888 3.349 1.00 43.52 H new ATOM 0 HD11 LEU A 78 -10.492 -2.051 1.458 1.00 10.02 H new ATOM 0 HD12 LEU A 78 -9.743 -1.264 2.867 1.00 10.02 H new ATOM 0 HD13 LEU A 78 -9.355 -2.958 2.483 1.00 10.02 H new ATOM 0 HD21 LEU A 78 -12.196 -3.777 1.767 1.00 21.32 H new ATOM 0 HD22 LEU A 78 -11.109 -4.722 2.813 1.00 21.32 H new ATOM 0 HD23 LEU A 78 -12.722 -4.250 3.400 1.00 21.32 H new ATOM 1288 N LEU A 79 -8.371 -1.048 5.850 1.00 1.23 N ATOM 1289 CA LEU A 79 -7.063 -0.965 6.492 1.00 34.13 C ATOM 1290 C LEU A 79 -7.216 -0.406 7.902 1.00 3.02 C ATOM 1291 O LEU A 79 -6.745 -0.998 8.870 1.00 2.44 O ATOM 1292 CB LEU A 79 -6.121 -0.094 5.639 1.00 44.32 C ATOM 1293 CG LEU A 79 -4.660 0.020 6.101 1.00 44.31 C ATOM 1294 CD1 LEU A 79 -4.505 1.085 7.174 1.00 42.25 C ATOM 1295 CD2 LEU A 79 -4.141 -1.320 6.600 1.00 31.14 C ATOM 0 H LEU A 79 -8.423 -0.582 4.944 1.00 1.23 H new ATOM 0 HA LEU A 79 -6.625 -1.960 6.570 1.00 34.13 H new ATOM 0 HB2 LEU A 79 -6.124 -0.488 4.623 1.00 44.32 H new ATOM 0 HB3 LEU A 79 -6.540 0.911 5.592 1.00 44.32 H new ATOM 0 HG LEU A 79 -4.063 0.319 5.239 1.00 44.31 H new ATOM 0 HD11 LEU A 79 -3.461 1.143 7.481 1.00 42.25 H new ATOM 0 HD12 LEU A 79 -4.820 2.050 6.777 1.00 42.25 H new ATOM 0 HD13 LEU A 79 -5.123 0.827 8.034 1.00 42.25 H new ATOM 0 HD21 LEU A 79 -3.105 -1.212 6.921 1.00 31.14 H new ATOM 0 HD22 LEU A 79 -4.748 -1.655 7.441 1.00 31.14 H new ATOM 0 HD23 LEU A 79 -4.197 -2.054 5.796 1.00 31.14 H new ATOM 1307 N LYS A 80 -7.918 0.711 8.017 1.00 44.30 N ATOM 1308 CA LYS A 80 -8.154 1.325 9.314 1.00 12.52 C ATOM 1309 C LYS A 80 -9.037 0.442 10.184 1.00 65.13 C ATOM 1310 O LYS A 80 -8.907 0.442 11.401 1.00 71.20 O ATOM 1311 CB LYS A 80 -8.794 2.707 9.163 1.00 14.33 C ATOM 1312 CG LYS A 80 -7.812 3.859 9.322 1.00 3.35 C ATOM 1313 CD LYS A 80 -7.194 3.889 10.717 1.00 15.11 C ATOM 1314 CE LYS A 80 -8.256 3.992 11.803 1.00 41.42 C ATOM 1315 NZ LYS A 80 -7.659 4.101 13.160 1.00 44.24 N ATOM 0 H LYS A 80 -8.333 1.210 7.230 1.00 44.30 H new ATOM 0 HA LYS A 80 -7.185 1.440 9.800 1.00 12.52 H new ATOM 0 HB2 LYS A 80 -9.263 2.775 8.181 1.00 14.33 H new ATOM 0 HB3 LYS A 80 -9.587 2.813 9.903 1.00 14.33 H new ATOM 0 HG2 LYS A 80 -7.022 3.769 8.576 1.00 3.35 H new ATOM 0 HG3 LYS A 80 -8.324 4.802 9.131 1.00 3.35 H new ATOM 0 HD2 LYS A 80 -6.602 2.987 10.872 1.00 15.11 H new ATOM 0 HD3 LYS A 80 -6.512 4.735 10.794 1.00 15.11 H new ATOM 0 HE2 LYS A 80 -8.885 4.862 11.613 1.00 41.42 H new ATOM 0 HE3 LYS A 80 -8.903 3.116 11.761 1.00 41.42 H new ATOM 0 HZ1 LYS A 80 -8.381 3.881 13.876 1.00 44.24 H new ATOM 0 HZ2 LYS A 80 -6.870 3.429 13.247 1.00 44.24 H new ATOM 0 HZ3 LYS A 80 -7.308 5.069 13.308 1.00 44.24 H new ATOM 1329 N LEU A 81 -9.913 -0.329 9.558 1.00 45.12 N ATOM 1330 CA LEU A 81 -10.851 -1.167 10.296 1.00 4.32 C ATOM 1331 C LEU A 81 -10.144 -2.337 10.970 1.00 34.04 C ATOM 1332 O LEU A 81 -10.483 -2.699 12.094 1.00 33.22 O ATOM 1333 CB LEU A 81 -11.968 -1.666 9.377 1.00 62.32 C ATOM 1334 CG LEU A 81 -12.853 -0.563 8.788 1.00 70.44 C ATOM 1335 CD1 LEU A 81 -13.906 -1.149 7.864 1.00 1.10 C ATOM 1336 CD2 LEU A 81 -13.511 0.244 9.896 1.00 43.21 C ATOM 0 H LEU A 81 -9.996 -0.393 8.543 1.00 45.12 H new ATOM 0 HA LEU A 81 -11.296 -0.554 11.080 1.00 4.32 H new ATOM 0 HB2 LEU A 81 -11.521 -2.231 8.558 1.00 62.32 H new ATOM 0 HB3 LEU A 81 -12.598 -2.359 9.936 1.00 62.32 H new ATOM 0 HG LEU A 81 -12.218 0.103 8.204 1.00 70.44 H new ATOM 0 HD11 LEU A 81 -14.522 -0.346 7.458 1.00 1.10 H new ATOM 0 HD12 LEU A 81 -13.418 -1.680 7.047 1.00 1.10 H new ATOM 0 HD13 LEU A 81 -14.535 -1.842 8.423 1.00 1.10 H new ATOM 0 HD21 LEU A 81 -14.135 1.022 9.458 1.00 43.21 H new ATOM 0 HD22 LEU A 81 -14.128 -0.414 10.508 1.00 43.21 H new ATOM 0 HD23 LEU A 81 -12.742 0.703 10.518 1.00 43.21 H new ATOM 1348 N LEU A 82 -9.147 -2.908 10.303 1.00 61.32 N ATOM 1349 CA LEU A 82 -8.403 -4.032 10.869 1.00 71.51 C ATOM 1350 C LEU A 82 -7.310 -3.549 11.825 1.00 4.21 C ATOM 1351 O LEU A 82 -6.737 -4.337 12.578 1.00 52.35 O ATOM 1352 CB LEU A 82 -7.817 -4.906 9.755 1.00 65.53 C ATOM 1353 CG LEU A 82 -6.975 -4.180 8.706 1.00 1.01 C ATOM 1354 CD1 LEU A 82 -5.489 -4.319 8.997 1.00 5.41 C ATOM 1355 CD2 LEU A 82 -7.297 -4.707 7.325 1.00 43.43 C ATOM 0 H LEU A 82 -8.836 -2.615 9.377 1.00 61.32 H new ATOM 0 HA LEU A 82 -9.098 -4.640 11.448 1.00 71.51 H new ATOM 0 HB2 LEU A 82 -7.202 -5.680 10.214 1.00 65.53 H new ATOM 0 HB3 LEU A 82 -8.638 -5.411 9.247 1.00 65.53 H new ATOM 0 HG LEU A 82 -7.223 -3.119 8.747 1.00 1.01 H new ATOM 0 HD11 LEU A 82 -4.918 -3.792 8.233 1.00 5.41 H new ATOM 0 HD12 LEU A 82 -5.268 -3.891 9.975 1.00 5.41 H new ATOM 0 HD13 LEU A 82 -5.214 -5.374 8.992 1.00 5.41 H new ATOM 0 HD21 LEU A 82 -6.692 -4.183 6.585 1.00 43.43 H new ATOM 0 HD22 LEU A 82 -7.078 -5.774 7.283 1.00 43.43 H new ATOM 0 HD23 LEU A 82 -8.353 -4.544 7.111 1.00 43.43 H new ATOM 1367 N GLU A 83 -7.026 -2.255 11.787 1.00 22.12 N ATOM 1368 CA GLU A 83 -6.074 -1.644 12.712 1.00 31.44 C ATOM 1369 C GLU A 83 -6.797 -1.111 13.949 1.00 62.33 C ATOM 1370 O GLU A 83 -6.337 -1.282 15.077 1.00 50.34 O ATOM 1371 CB GLU A 83 -5.329 -0.498 12.022 1.00 42.33 C ATOM 1372 CG GLU A 83 -4.475 -0.928 10.838 1.00 35.23 C ATOM 1373 CD GLU A 83 -3.199 -1.632 11.250 1.00 64.14 C ATOM 1374 OE1 GLU A 83 -2.190 -0.940 11.494 1.00 10.22 O ATOM 1375 OE2 GLU A 83 -3.186 -2.880 11.317 1.00 73.01 O ATOM 0 H GLU A 83 -7.442 -1.602 11.123 1.00 22.12 H new ATOM 0 HA GLU A 83 -5.358 -2.406 13.020 1.00 31.44 H new ATOM 0 HB2 GLU A 83 -6.056 0.239 11.682 1.00 42.33 H new ATOM 0 HB3 GLU A 83 -4.691 -0.002 12.754 1.00 42.33 H new ATOM 0 HG2 GLU A 83 -5.058 -1.591 10.199 1.00 35.23 H new ATOM 0 HG3 GLU A 83 -4.223 -0.051 10.242 1.00 35.23 H new ATOM 1382 N ASP A 84 -7.937 -0.470 13.722 1.00 24.40 N ATOM 1383 CA ASP A 84 -8.726 0.135 14.795 1.00 35.24 C ATOM 1384 C ASP A 84 -9.606 -0.918 15.451 1.00 44.21 C ATOM 1385 O ASP A 84 -10.103 -0.731 16.564 1.00 43.15 O ATOM 1386 CB ASP A 84 -9.596 1.262 14.227 1.00 40.34 C ATOM 1387 CG ASP A 84 -10.164 2.178 15.294 1.00 23.11 C ATOM 1388 OD1 ASP A 84 -9.466 3.138 15.691 1.00 42.43 O ATOM 1389 OD2 ASP A 84 -11.317 1.962 15.719 1.00 3.11 O ATOM 0 H ASP A 84 -8.342 -0.354 12.793 1.00 24.40 H new ATOM 0 HA ASP A 84 -8.050 0.548 15.544 1.00 35.24 H new ATOM 0 HB2 ASP A 84 -9.003 1.853 13.529 1.00 40.34 H new ATOM 0 HB3 ASP A 84 -10.417 0.826 13.658 1.00 40.34 H new ATOM 1394 N LYS A 85 -9.789 -2.025 14.733 1.00 4.43 N ATOM 1395 CA LYS A 85 -10.565 -3.169 15.202 1.00 2.14 C ATOM 1396 C LYS A 85 -12.041 -2.810 15.339 1.00 50.00 C ATOM 1397 O LYS A 85 -12.702 -3.155 16.321 1.00 2.55 O ATOM 1398 CB LYS A 85 -9.988 -3.722 16.511 1.00 32.44 C ATOM 1399 CG LYS A 85 -8.534 -4.158 16.371 1.00 44.23 C ATOM 1400 CD LYS A 85 -8.352 -5.132 15.212 1.00 25.21 C ATOM 1401 CE LYS A 85 -8.994 -6.483 15.488 1.00 34.52 C ATOM 1402 NZ LYS A 85 -8.204 -7.284 16.460 1.00 53.00 N ATOM 0 H LYS A 85 -9.398 -2.153 13.800 1.00 4.43 H new ATOM 0 HA LYS A 85 -10.493 -3.960 14.455 1.00 2.14 H new ATOM 0 HB2 LYS A 85 -10.062 -2.960 17.287 1.00 32.44 H new ATOM 0 HB3 LYS A 85 -10.588 -4.571 16.839 1.00 32.44 H new ATOM 0 HG2 LYS A 85 -7.904 -3.282 16.214 1.00 44.23 H new ATOM 0 HG3 LYS A 85 -8.203 -4.627 17.297 1.00 44.23 H new ATOM 0 HD2 LYS A 85 -8.786 -4.704 14.309 1.00 25.21 H new ATOM 0 HD3 LYS A 85 -7.288 -5.270 15.020 1.00 25.21 H new ATOM 0 HE2 LYS A 85 -10.002 -6.334 15.875 1.00 34.52 H new ATOM 0 HE3 LYS A 85 -9.090 -7.037 14.554 1.00 34.52 H new ATOM 0 HZ1 LYS A 85 -8.647 -8.217 16.582 1.00 53.00 H new ATOM 0 HZ2 LYS A 85 -7.235 -7.405 16.103 1.00 53.00 H new ATOM 0 HZ3 LYS A 85 -8.177 -6.791 17.375 1.00 53.00 H new ATOM 1416 N SER A 86 -12.552 -2.126 14.324 1.00 24.42 N ATOM 1417 CA SER A 86 -13.958 -1.777 14.262 1.00 43.54 C ATOM 1418 C SER A 86 -14.761 -2.931 13.661 1.00 24.01 C ATOM 1419 O SER A 86 -14.331 -3.562 12.693 1.00 64.12 O ATOM 1420 CB SER A 86 -14.138 -0.512 13.428 1.00 13.44 C ATOM 1421 OG SER A 86 -13.320 0.536 13.917 1.00 34.31 O ATOM 0 H SER A 86 -12.005 -1.801 13.527 1.00 24.42 H new ATOM 0 HA SER A 86 -14.325 -1.590 15.271 1.00 43.54 H new ATOM 0 HB2 SER A 86 -13.888 -0.719 12.387 1.00 13.44 H new ATOM 0 HB3 SER A 86 -15.183 -0.203 13.449 1.00 13.44 H new ATOM 0 HG SER A 86 -13.450 1.336 13.367 1.00 34.31 H new ATOM 1427 N ASN A 87 -15.935 -3.180 14.221 1.00 63.03 N ATOM 1428 CA ASN A 87 -16.762 -4.325 13.833 1.00 64.23 C ATOM 1429 C ASN A 87 -17.314 -4.188 12.414 1.00 4.15 C ATOM 1430 O ASN A 87 -17.881 -5.135 11.879 1.00 63.54 O ATOM 1431 CB ASN A 87 -17.933 -4.494 14.806 1.00 23.34 C ATOM 1432 CG ASN A 87 -18.901 -3.323 14.772 1.00 23.24 C ATOM 1433 OD1 ASN A 87 -18.504 -2.176 14.569 1.00 21.53 O ATOM 1434 ND2 ASN A 87 -20.179 -3.605 14.962 1.00 3.42 N ATOM 0 H ASN A 87 -16.344 -2.601 14.954 1.00 63.03 H new ATOM 0 HA ASN A 87 -16.116 -5.202 13.865 1.00 64.23 H new ATOM 0 HB2 ASN A 87 -18.471 -5.411 14.564 1.00 23.34 H new ATOM 0 HB3 ASN A 87 -17.545 -4.609 15.818 1.00 23.34 H new ATOM 0 HD21 ASN A 87 -20.874 -2.859 14.943 1.00 3.42 H new ATOM 0 HD22 ASN A 87 -20.470 -4.569 15.127 1.00 3.42 H new ATOM 1441 N LEU A 88 -17.144 -3.021 11.811 1.00 11.02 N ATOM 1442 CA LEU A 88 -17.694 -2.755 10.480 1.00 0.42 C ATOM 1443 C LEU A 88 -17.196 -3.766 9.448 1.00 31.01 C ATOM 1444 O LEU A 88 -17.944 -4.185 8.566 1.00 31.25 O ATOM 1445 CB LEU A 88 -17.363 -1.329 10.021 1.00 14.11 C ATOM 1446 CG LEU A 88 -18.045 -0.202 10.811 1.00 3.14 C ATOM 1447 CD1 LEU A 88 -19.509 -0.532 11.068 1.00 22.42 C ATOM 1448 CD2 LEU A 88 -17.320 0.074 12.121 1.00 20.24 C ATOM 0 H LEU A 88 -16.630 -2.240 12.218 1.00 11.02 H new ATOM 0 HA LEU A 88 -18.776 -2.857 10.558 1.00 0.42 H new ATOM 0 HB2 LEU A 88 -16.284 -1.189 10.081 1.00 14.11 H new ATOM 0 HB3 LEU A 88 -17.639 -1.231 8.971 1.00 14.11 H new ATOM 0 HG LEU A 88 -17.996 0.703 10.205 1.00 3.14 H new ATOM 0 HD11 LEU A 88 -19.972 0.280 11.629 1.00 22.42 H new ATOM 0 HD12 LEU A 88 -20.026 -0.657 10.117 1.00 22.42 H new ATOM 0 HD13 LEU A 88 -19.578 -1.456 11.643 1.00 22.42 H new ATOM 0 HD21 LEU A 88 -17.828 0.877 12.656 1.00 20.24 H new ATOM 0 HD22 LEU A 88 -17.320 -0.827 12.734 1.00 20.24 H new ATOM 0 HD23 LEU A 88 -16.292 0.371 11.912 1.00 20.24 H new ATOM 1460 N LEU A 89 -15.936 -4.162 9.559 1.00 4.24 N ATOM 1461 CA LEU A 89 -15.384 -5.166 8.658 1.00 63.52 C ATOM 1462 C LEU A 89 -15.164 -6.481 9.396 1.00 50.24 C ATOM 1463 O LEU A 89 -14.998 -7.535 8.790 1.00 64.53 O ATOM 1464 CB LEU A 89 -14.063 -4.680 8.051 1.00 33.13 C ATOM 1465 CG LEU A 89 -13.268 -5.747 7.305 1.00 13.44 C ATOM 1466 CD1 LEU A 89 -13.683 -5.821 5.849 1.00 42.10 C ATOM 1467 CD2 LEU A 89 -11.785 -5.482 7.448 1.00 10.50 C ATOM 0 H LEU A 89 -15.281 -3.808 10.257 1.00 4.24 H new ATOM 0 HA LEU A 89 -16.100 -5.329 7.852 1.00 63.52 H new ATOM 0 HB2 LEU A 89 -14.275 -3.860 7.365 1.00 33.13 H new ATOM 0 HB3 LEU A 89 -13.440 -4.275 8.849 1.00 33.13 H new ATOM 0 HG LEU A 89 -13.486 -6.719 7.749 1.00 13.44 H new ATOM 0 HD11 LEU A 89 -13.099 -6.590 5.343 1.00 42.10 H new ATOM 0 HD12 LEU A 89 -14.743 -6.069 5.785 1.00 42.10 H new ATOM 0 HD13 LEU A 89 -13.506 -4.858 5.371 1.00 42.10 H new ATOM 0 HD21 LEU A 89 -11.225 -6.249 6.912 1.00 10.50 H new ATOM 0 HD22 LEU A 89 -11.549 -4.503 7.032 1.00 10.50 H new ATOM 0 HD23 LEU A 89 -11.512 -5.504 8.503 1.00 10.50 H new ATOM 1479 N LEU A 90 -15.191 -6.416 10.709 1.00 51.45 N ATOM 1480 CA LEU A 90 -14.787 -7.546 11.531 1.00 22.51 C ATOM 1481 C LEU A 90 -15.947 -8.154 12.317 1.00 21.41 C ATOM 1482 O LEU A 90 -15.722 -8.876 13.286 1.00 52.25 O ATOM 1483 CB LEU A 90 -13.706 -7.075 12.495 1.00 25.02 C ATOM 1484 CG LEU A 90 -12.574 -6.289 11.836 1.00 74.05 C ATOM 1485 CD1 LEU A 90 -11.802 -5.507 12.876 1.00 55.40 C ATOM 1486 CD2 LEU A 90 -11.644 -7.214 11.072 1.00 33.50 C ATOM 0 H LEU A 90 -15.488 -5.594 11.235 1.00 51.45 H new ATOM 0 HA LEU A 90 -14.415 -8.328 10.869 1.00 22.51 H new ATOM 0 HB2 LEU A 90 -14.166 -6.452 13.262 1.00 25.02 H new ATOM 0 HB3 LEU A 90 -13.283 -7.943 13.001 1.00 25.02 H new ATOM 0 HG LEU A 90 -13.014 -5.589 11.126 1.00 74.05 H new ATOM 0 HD11 LEU A 90 -10.999 -4.952 12.392 1.00 55.40 H new ATOM 0 HD12 LEU A 90 -12.472 -4.810 13.379 1.00 55.40 H new ATOM 0 HD13 LEU A 90 -11.378 -6.195 13.608 1.00 55.40 H new ATOM 0 HD21 LEU A 90 -10.847 -6.630 10.612 1.00 33.50 H new ATOM 0 HD22 LEU A 90 -11.211 -7.942 11.758 1.00 33.50 H new ATOM 0 HD23 LEU A 90 -12.205 -7.735 10.297 1.00 33.50 H new ATOM 1498 N TYR A 91 -17.179 -7.887 11.900 1.00 4.41 N ATOM 1499 CA TYR A 91 -18.340 -8.391 12.630 1.00 72.42 C ATOM 1500 C TYR A 91 -18.506 -9.893 12.438 1.00 71.35 C ATOM 1501 O TYR A 91 -18.010 -10.467 11.460 1.00 1.00 O ATOM 1502 CB TYR A 91 -19.626 -7.671 12.199 1.00 34.13 C ATOM 1503 CG TYR A 91 -20.063 -7.948 10.774 1.00 70.55 C ATOM 1504 CD1 TYR A 91 -20.730 -9.125 10.440 1.00 44.25 C ATOM 1505 CD2 TYR A 91 -19.818 -7.028 9.763 1.00 14.50 C ATOM 1506 CE1 TYR A 91 -21.134 -9.373 9.147 1.00 45.31 C ATOM 1507 CE2 TYR A 91 -20.223 -7.271 8.464 1.00 51.54 C ATOM 1508 CZ TYR A 91 -20.881 -8.447 8.162 1.00 25.40 C ATOM 1509 OH TYR A 91 -21.287 -8.700 6.873 1.00 62.31 O ATOM 0 H TYR A 91 -17.400 -7.333 11.073 1.00 4.41 H new ATOM 0 HA TYR A 91 -18.163 -8.190 13.687 1.00 72.42 H new ATOM 0 HB2 TYR A 91 -20.431 -7.961 12.874 1.00 34.13 H new ATOM 0 HB3 TYR A 91 -19.482 -6.597 12.318 1.00 34.13 H new ATOM 0 HD1 TYR A 91 -20.934 -9.856 11.209 1.00 44.25 H new ATOM 0 HD2 TYR A 91 -19.303 -6.108 9.995 1.00 14.50 H new ATOM 0 HE1 TYR A 91 -21.648 -10.292 8.907 1.00 45.31 H new ATOM 0 HE2 TYR A 91 -20.026 -6.545 7.689 1.00 51.54 H new ATOM 0 HH TYR A 91 -21.486 -7.854 6.421 1.00 62.31 H new ATOM 1519 N SER A 92 -19.224 -10.515 13.361 1.00 4.03 N ATOM 1520 CA SER A 92 -19.508 -11.937 13.284 1.00 52.45 C ATOM 1521 C SER A 92 -20.695 -12.190 12.358 1.00 23.15 C ATOM 1522 O SER A 92 -21.656 -11.422 12.336 1.00 3.41 O ATOM 1523 CB SER A 92 -19.796 -12.490 14.677 1.00 12.12 C ATOM 1524 OG SER A 92 -18.722 -12.212 15.563 1.00 30.42 O ATOM 0 H SER A 92 -19.623 -10.051 14.177 1.00 4.03 H new ATOM 0 HA SER A 92 -18.635 -12.448 12.877 1.00 52.45 H new ATOM 0 HB2 SER A 92 -20.715 -12.051 15.064 1.00 12.12 H new ATOM 0 HB3 SER A 92 -19.956 -13.567 14.620 1.00 12.12 H new ATOM 0 HG SER A 92 -18.928 -12.573 16.450 1.00 30.42 H new ATOM 1530 N CYS A 93 -20.621 -13.262 11.588 1.00 5.13 N ATOM 1531 CA CYS A 93 -21.651 -13.571 10.608 1.00 2.53 C ATOM 1532 C CYS A 93 -21.892 -15.070 10.531 1.00 1.34 C ATOM 1533 O CYS A 93 -21.151 -15.852 11.116 1.00 64.51 O ATOM 1534 CB CYS A 93 -21.210 -13.097 9.241 1.00 40.51 C ATOM 1535 SG CYS A 93 -20.022 -14.232 8.464 1.00 44.22 S ATOM 0 H CYS A 93 -19.856 -13.936 11.622 1.00 5.13 H new ATOM 0 HA CYS A 93 -22.569 -13.069 10.914 1.00 2.53 H new ATOM 0 HB2 CYS A 93 -22.083 -12.992 8.597 1.00 40.51 H new ATOM 0 HB3 CYS A 93 -20.759 -12.109 9.330 1.00 40.51 H new ATOM 0 HG CYS A 93 -19.401 -13.618 7.501 1.00 44.22 H new ATOM 1540 N ASN A 94 -22.888 -15.465 9.753 1.00 4.01 N ATOM 1541 CA ASN A 94 -23.219 -16.870 9.599 1.00 3.33 C ATOM 1542 C ASN A 94 -22.823 -17.395 8.217 1.00 25.12 C ATOM 1543 O ASN A 94 -23.673 -17.578 7.352 1.00 21.24 O ATOM 1544 CB ASN A 94 -24.720 -17.084 9.823 1.00 72.31 C ATOM 1545 CG ASN A 94 -25.129 -18.547 9.784 1.00 75.23 C ATOM 1546 OD1 ASN A 94 -24.269 -19.427 10.270 1.00 12.12 O flip ATOM 1547 ND2 ASN A 94 -26.226 -18.883 9.340 1.00 14.23 N flip ATOM 0 H ASN A 94 -23.481 -14.830 9.218 1.00 4.01 H new ATOM 0 HA ASN A 94 -22.654 -17.427 10.346 1.00 3.33 H new ATOM 0 HB2 ASN A 94 -25.001 -16.661 10.787 1.00 72.31 H new ATOM 0 HB3 ASN A 94 -25.276 -16.538 9.061 1.00 72.31 H new ATOM 0 HD21 ASN A 94 -26.865 -18.178 8.973 1.00 14.23 H new ATOM 0 HD22 ASN A 94 -26.496 -19.867 9.339 1.00 14.23 H new ATOM 1554 N CYS A 95 -21.529 -17.586 7.975 1.00 70.35 N ATOM 1555 CA CYS A 95 -21.119 -18.357 6.813 1.00 41.03 C ATOM 1556 C CYS A 95 -20.733 -19.777 7.219 1.00 40.43 C ATOM 1557 O CYS A 95 -20.380 -20.602 6.381 1.00 14.33 O ATOM 1558 CB CYS A 95 -19.980 -17.679 6.069 1.00 10.13 C ATOM 1559 SG CYS A 95 -20.505 -16.180 5.191 1.00 4.44 S ATOM 0 H CYS A 95 -20.768 -17.228 8.552 1.00 70.35 H new ATOM 0 HA CYS A 95 -21.969 -18.412 6.133 1.00 41.03 H new ATOM 0 HB2 CYS A 95 -19.192 -17.422 6.777 1.00 10.13 H new ATOM 0 HB3 CYS A 95 -19.550 -18.381 5.354 1.00 10.13 H new ATOM 0 HG CYS A 95 -20.036 -16.201 3.979 1.00 4.44 H new