USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=21 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 145:sc= 0.848 USER MOD Set 1.2: A 69 ASN :FLIP amide:sc= 0.983 F(o=0.38,f=1.8) USER MOD Set 2.1: A 18 CYS SG : rot -170:sc= 0.452 USER MOD Set 2.2: A 55 HIS : no HD1:sc= -0.236 X(o=0.69,f=0.93) USER MOD Set 2.3: A 91 TYR OH : rot 130:sc= -0.0322 USER MOD Set 2.4: A 93 CYS SG : rot -158:sc= 0.238 USER MOD Set 2.5: A 95 CYS SG : rot 138:sc= 0.272 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 85:sc= 0.0103 USER MOD Single : A 11 GLN : amide:sc= -0.469 X(o=-0.47,f=-0.32) USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= -0.016 (180deg=-0.173) USER MOD Single : A 16 GLN : amide:sc= -0.19 K(o=-0.19,f=-1.4!) USER MOD Single : A 23 THR OG1 : rot -108:sc= 1.25 USER MOD Single : A 24 LYS NZ :NH3+ 124:sc= -0.863 (180deg=-1.75!) 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 51 SER OG : rot -110:sc= -1.22 USER MOD Single : A 57 ASN : amide:sc= 0.711 K(o=0.71,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0879) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -177:sc= 0 (180deg=-0.0131) USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0296) USER MOD Single : A 76 GLN : amide:sc= -0.168 K(o=-0.17,f=-0.85) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0691) USER MOD Single : A 86 SER OG : rot -24:sc= 0.0343 USER MOD Single : A 87 ASN : amide:sc= -0.0826 X(o=-0.083,f=-0.0046) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.023 X(o=-0.023,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 -4.639 -4.865 0.777 1.00 11.32 N ATOM 60 CA ILE A 5 -5.738 -4.902 1.726 1.00 43.43 C ATOM 61 C ILE A 5 -6.603 -6.145 1.539 1.00 31.22 C ATOM 62 O ILE A 5 -7.141 -6.673 2.509 1.00 13.25 O ATOM 63 CB ILE A 5 -6.624 -3.634 1.630 1.00 30.23 C ATOM 64 CG1 ILE A 5 -7.489 -3.485 2.878 1.00 30.15 C ATOM 65 CG2 ILE A 5 -7.520 -3.694 0.403 1.00 32.31 C ATOM 66 CD1 ILE A 5 -6.712 -3.557 4.165 1.00 65.45 C ATOM 0 HA ILE A 5 -5.286 -4.936 2.717 1.00 43.43 H new ATOM 0 HB ILE A 5 -5.961 -2.773 1.547 1.00 30.23 H new ATOM 0 HG12 ILE A 5 -8.014 -2.531 2.834 1.00 30.15 H new ATOM 0 HG13 ILE A 5 -8.249 -4.267 2.878 1.00 30.15 H new ATOM 0 HG21 ILE A 5 -8.133 -2.794 0.356 1.00 32.31 H new ATOM 0 HG22 ILE A 5 -6.904 -3.761 -0.494 1.00 32.31 H new ATOM 0 HG23 ILE A 5 -8.166 -4.570 0.466 1.00 32.31 H new ATOM 0 HD11 ILE A 5 -7.393 -3.443 5.008 1.00 65.45 H new ATOM 0 HD12 ILE A 5 -6.209 -4.521 4.233 1.00 65.45 H new ATOM 0 HD13 ILE A 5 -5.970 -2.758 4.187 1.00 65.45 H new ATOM 78 N GLU A 6 -6.712 -6.631 0.305 1.00 3.34 N ATOM 79 CA GLU A 6 -7.572 -7.772 0.028 1.00 64.52 C ATOM 80 C GLU A 6 -7.055 -8.986 0.769 1.00 11.45 C ATOM 81 O GLU A 6 -7.818 -9.691 1.424 1.00 53.35 O ATOM 82 CB GLU A 6 -7.671 -8.060 -1.471 1.00 53.15 C ATOM 83 CG GLU A 6 -8.428 -6.998 -2.247 1.00 34.52 C ATOM 84 CD GLU A 6 -8.713 -7.419 -3.671 1.00 33.22 C ATOM 85 OE1 GLU A 6 -7.803 -7.308 -4.518 1.00 13.54 O ATOM 86 OE2 GLU A 6 -9.842 -7.872 -3.945 1.00 50.42 O ATOM 0 H GLU A 6 -6.222 -6.257 -0.507 1.00 3.34 H new ATOM 0 HA GLU A 6 -8.577 -7.533 0.375 1.00 64.52 H new ATOM 0 HB2 GLU A 6 -6.665 -8.150 -1.882 1.00 53.15 H new ATOM 0 HB3 GLU A 6 -8.162 -9.022 -1.616 1.00 53.15 H new ATOM 0 HG2 GLU A 6 -9.368 -6.782 -1.740 1.00 34.52 H new ATOM 0 HG3 GLU A 6 -7.849 -6.074 -2.253 1.00 34.52 H new ATOM 93 N HIS A 7 -5.749 -9.199 0.691 1.00 33.50 N ATOM 94 CA HIS A 7 -5.109 -10.261 1.448 1.00 51.14 C ATOM 95 C HIS A 7 -5.442 -10.130 2.931 1.00 1.41 C ATOM 96 O HIS A 7 -5.824 -11.108 3.568 1.00 74.35 O ATOM 97 CB HIS A 7 -3.594 -10.239 1.242 1.00 20.21 C ATOM 98 CG HIS A 7 -3.154 -10.810 -0.075 1.00 53.14 C ATOM 99 ND1 HIS A 7 -3.261 -10.151 -1.278 1.00 61.34 N ATOM 100 CD2 HIS A 7 -2.593 -12.014 -0.360 1.00 33.02 C ATOM 101 CE1 HIS A 7 -2.774 -10.951 -2.234 1.00 24.42 C ATOM 102 NE2 HIS A 7 -2.354 -12.095 -1.730 1.00 64.54 N ATOM 0 H HIS A 7 -5.114 -8.650 0.111 1.00 33.50 H new ATOM 0 HA HIS A 7 -5.490 -11.215 1.085 1.00 51.14 H new ATOM 0 HB2 HIS A 7 -3.241 -9.210 1.318 1.00 20.21 H new ATOM 0 HB3 HIS A 7 -3.119 -10.799 2.047 1.00 20.21 H new ATOM 0 HD2 HIS A 7 -2.368 -12.786 0.361 1.00 33.02 H new ATOM 0 HE1 HIS A 7 -2.731 -10.693 -3.282 1.00 24.42 H new ATOM 0 HE2 HIS A 7 -1.940 -12.877 -2.238 1.00 64.54 H new ATOM 110 N LYS A 8 -5.337 -8.909 3.459 1.00 32.40 N ATOM 111 CA LYS A 8 -5.602 -8.657 4.879 1.00 75.42 C ATOM 112 C LYS A 8 -7.035 -9.018 5.224 1.00 14.14 C ATOM 113 O LYS A 8 -7.282 -9.772 6.165 1.00 11.20 O ATOM 114 CB LYS A 8 -5.376 -7.183 5.237 1.00 50.12 C ATOM 115 CG LYS A 8 -4.129 -6.571 4.630 1.00 33.45 C ATOM 116 CD LYS A 8 -2.891 -7.389 4.938 1.00 14.22 C ATOM 117 CE LYS A 8 -1.661 -6.771 4.306 1.00 60.20 C ATOM 118 NZ LYS A 8 -0.448 -7.609 4.511 1.00 34.10 N ATOM 0 H LYS A 8 -5.071 -8.080 2.927 1.00 32.40 H new ATOM 0 HA LYS A 8 -4.910 -9.276 5.449 1.00 75.42 H new ATOM 0 HB2 LYS A 8 -6.243 -6.607 4.913 1.00 50.12 H new ATOM 0 HB3 LYS A 8 -5.319 -7.091 6.322 1.00 50.12 H new ATOM 0 HG2 LYS A 8 -4.252 -6.492 3.550 1.00 33.45 H new ATOM 0 HG3 LYS A 8 -3.999 -5.558 5.011 1.00 33.45 H new ATOM 0 HD2 LYS A 8 -2.755 -7.457 6.017 1.00 14.22 H new ATOM 0 HD3 LYS A 8 -3.022 -8.406 4.569 1.00 14.22 H new ATOM 0 HE2 LYS A 8 -1.832 -6.635 3.238 1.00 60.20 H new ATOM 0 HE3 LYS A 8 -1.494 -5.781 4.731 1.00 60.20 H new ATOM 0 HZ1 LYS A 8 0.371 -7.150 4.063 1.00 34.10 H new ATOM 0 HZ2 LYS A 8 -0.269 -7.718 5.530 1.00 34.10 H new ATOM 0 HZ3 LYS A 8 -0.597 -8.545 4.084 1.00 34.10 H new ATOM 132 N VAL A 9 -7.971 -8.465 4.456 1.00 41.10 N ATOM 133 CA VAL A 9 -9.388 -8.721 4.662 1.00 72.14 C ATOM 134 C VAL A 9 -9.670 -10.216 4.686 1.00 34.14 C ATOM 135 O VAL A 9 -10.386 -10.707 5.556 1.00 62.11 O ATOM 136 CB VAL A 9 -10.245 -8.066 3.560 1.00 32.13 C ATOM 137 CG1 VAL A 9 -11.723 -8.322 3.805 1.00 12.24 C ATOM 138 CG2 VAL A 9 -9.972 -6.576 3.484 1.00 41.53 C ATOM 0 H VAL A 9 -7.768 -7.833 3.681 1.00 41.10 H new ATOM 0 HA VAL A 9 -9.655 -8.284 5.624 1.00 72.14 H new ATOM 0 HB VAL A 9 -9.971 -8.516 2.606 1.00 32.13 H new ATOM 0 HG11 VAL A 9 -12.309 -7.851 3.016 1.00 12.24 H new ATOM 0 HG12 VAL A 9 -11.911 -9.396 3.806 1.00 12.24 H new ATOM 0 HG13 VAL A 9 -12.010 -7.903 4.769 1.00 12.24 H new ATOM 0 HG21 VAL A 9 -10.587 -6.133 2.700 1.00 41.53 H new ATOM 0 HG22 VAL A 9 -10.214 -6.113 4.440 1.00 41.53 H new ATOM 0 HG23 VAL A 9 -8.919 -6.410 3.256 1.00 41.53 H new ATOM 148 N TYR A 10 -9.081 -10.939 3.746 1.00 51.34 N ATOM 149 CA TYR A 10 -9.291 -12.373 3.662 1.00 21.12 C ATOM 150 C TYR A 10 -8.710 -13.049 4.895 1.00 75.53 C ATOM 151 O TYR A 10 -9.378 -13.855 5.532 1.00 4.24 O ATOM 152 CB TYR A 10 -8.650 -12.968 2.402 1.00 62.34 C ATOM 153 CG TYR A 10 -9.113 -12.361 1.087 1.00 52.31 C ATOM 154 CD1 TYR A 10 -10.245 -11.556 1.012 1.00 12.24 C ATOM 155 CD2 TYR A 10 -8.401 -12.594 -0.084 1.00 0.22 C ATOM 156 CE1 TYR A 10 -10.653 -11.005 -0.190 1.00 51.11 C ATOM 157 CE2 TYR A 10 -8.802 -12.046 -1.288 1.00 0.13 C ATOM 158 CZ TYR A 10 -9.929 -11.253 -1.335 1.00 13.20 C ATOM 159 OH TYR A 10 -10.329 -10.703 -2.532 1.00 74.35 O ATOM 0 H TYR A 10 -8.457 -10.557 3.035 1.00 51.34 H new ATOM 0 HA TYR A 10 -10.365 -12.550 3.609 1.00 21.12 H new ATOM 0 HB2 TYR A 10 -7.569 -12.852 2.476 1.00 62.34 H new ATOM 0 HB3 TYR A 10 -8.855 -14.038 2.381 1.00 62.34 H new ATOM 0 HD1 TYR A 10 -10.815 -11.358 1.907 1.00 12.24 H new ATOM 0 HD2 TYR A 10 -7.518 -13.215 -0.052 1.00 0.22 H new ATOM 0 HE1 TYR A 10 -11.535 -10.383 -0.230 1.00 51.11 H new ATOM 0 HE2 TYR A 10 -8.235 -12.238 -2.187 1.00 0.13 H new ATOM 0 HH TYR A 10 -9.972 -9.794 -2.610 1.00 74.35 H new ATOM 169 N GLN A 11 -7.479 -12.666 5.243 1.00 11.32 N ATOM 170 CA GLN A 11 -6.725 -13.306 6.322 1.00 52.31 C ATOM 171 C GLN A 11 -7.540 -13.453 7.599 1.00 11.24 C ATOM 172 O GLN A 11 -7.678 -14.553 8.138 1.00 21.41 O ATOM 173 CB GLN A 11 -5.442 -12.528 6.631 1.00 54.21 C ATOM 174 CG GLN A 11 -4.360 -12.656 5.568 1.00 64.41 C ATOM 175 CD GLN A 11 -4.112 -14.091 5.137 1.00 63.45 C ATOM 176 OE1 GLN A 11 -3.303 -14.801 5.733 1.00 5.14 O ATOM 177 NE2 GLN A 11 -4.794 -14.517 4.085 1.00 33.22 N ATOM 0 H GLN A 11 -6.978 -11.905 4.785 1.00 11.32 H new ATOM 0 HA GLN A 11 -6.474 -14.305 5.965 1.00 52.31 H new ATOM 0 HB2 GLN A 11 -5.691 -11.474 6.754 1.00 54.21 H new ATOM 0 HB3 GLN A 11 -5.042 -12.874 7.584 1.00 54.21 H new ATOM 0 HG2 GLN A 11 -4.644 -12.066 4.697 1.00 64.41 H new ATOM 0 HG3 GLN A 11 -3.431 -12.233 5.951 1.00 64.41 H new ATOM 0 HE21 GLN A 11 -5.455 -13.895 3.620 1.00 33.22 H new ATOM 0 HE22 GLN A 11 -4.658 -15.467 3.740 1.00 33.22 H new ATOM 186 N LEU A 12 -8.090 -12.349 8.064 1.00 63.22 N ATOM 187 CA LEU A 12 -8.797 -12.328 9.334 1.00 13.43 C ATOM 188 C LEU A 12 -10.246 -12.757 9.181 1.00 71.44 C ATOM 189 O LEU A 12 -10.755 -13.508 10.001 1.00 11.23 O ATOM 190 CB LEU A 12 -8.691 -10.945 9.996 1.00 33.01 C ATOM 191 CG LEU A 12 -8.494 -9.748 9.058 1.00 62.23 C ATOM 192 CD1 LEU A 12 -9.804 -9.344 8.397 1.00 1.23 C ATOM 193 CD2 LEU A 12 -7.891 -8.576 9.818 1.00 14.03 C ATOM 0 H LEU A 12 -8.062 -11.451 7.581 1.00 63.22 H new ATOM 0 HA LEU A 12 -8.317 -13.055 9.989 1.00 13.43 H new ATOM 0 HB2 LEU A 12 -9.597 -10.776 10.579 1.00 33.01 H new ATOM 0 HB3 LEU A 12 -7.859 -10.967 10.700 1.00 33.01 H new ATOM 0 HG LEU A 12 -7.803 -10.045 8.269 1.00 62.23 H new ATOM 0 HD11 LEU A 12 -9.632 -8.493 7.738 1.00 1.23 H new ATOM 0 HD12 LEU A 12 -10.191 -10.181 7.815 1.00 1.23 H new ATOM 0 HD13 LEU A 12 -10.529 -9.069 9.163 1.00 1.23 H new ATOM 0 HD21 LEU A 12 -7.757 -7.733 9.140 1.00 14.03 H new ATOM 0 HD22 LEU A 12 -8.559 -8.286 10.629 1.00 14.03 H new ATOM 0 HD23 LEU A 12 -6.925 -8.868 10.230 1.00 14.03 H new ATOM 205 N LEU A 13 -10.904 -12.316 8.124 1.00 60.53 N ATOM 206 CA LEU A 13 -12.317 -12.635 7.937 1.00 31.42 C ATOM 207 C LEU A 13 -12.550 -14.125 7.759 1.00 54.33 C ATOM 208 O LEU A 13 -13.440 -14.695 8.394 1.00 35.21 O ATOM 209 CB LEU A 13 -12.903 -11.886 6.752 1.00 70.20 C ATOM 210 CG LEU A 13 -13.139 -10.403 6.989 1.00 64.20 C ATOM 211 CD1 LEU A 13 -13.895 -9.808 5.820 1.00 11.11 C ATOM 212 CD2 LEU A 13 -13.899 -10.198 8.287 1.00 54.40 C ATOM 0 H LEU A 13 -10.493 -11.742 7.387 1.00 60.53 H new ATOM 0 HA LEU A 13 -12.824 -12.316 8.847 1.00 31.42 H new ATOM 0 HB2 LEU A 13 -12.233 -12.001 5.900 1.00 70.20 H new ATOM 0 HB3 LEU A 13 -13.850 -12.351 6.478 1.00 70.20 H new ATOM 0 HG LEU A 13 -12.179 -9.894 7.072 1.00 64.20 H new ATOM 0 HD11 LEU A 13 -14.061 -8.745 5.997 1.00 11.11 H new ATOM 0 HD12 LEU A 13 -13.314 -9.938 4.907 1.00 11.11 H new ATOM 0 HD13 LEU A 13 -14.856 -10.312 5.713 1.00 11.11 H new ATOM 0 HD21 LEU A 13 -14.063 -9.133 8.448 1.00 54.40 H new ATOM 0 HD22 LEU A 13 -14.860 -10.709 8.230 1.00 54.40 H new ATOM 0 HD23 LEU A 13 -13.320 -10.605 9.116 1.00 54.40 H new ATOM 224 N LYS A 14 -11.758 -14.756 6.906 1.00 23.22 N ATOM 225 CA LYS A 14 -11.908 -16.186 6.665 1.00 25.23 C ATOM 226 C LYS A 14 -11.498 -16.969 7.913 1.00 60.01 C ATOM 227 O LYS A 14 -11.842 -18.138 8.072 1.00 41.02 O ATOM 228 CB LYS A 14 -11.092 -16.628 5.443 1.00 5.34 C ATOM 229 CG LYS A 14 -9.598 -16.732 5.691 1.00 43.54 C ATOM 230 CD LYS A 14 -8.858 -17.198 4.447 1.00 1.11 C ATOM 231 CE LYS A 14 -7.358 -17.307 4.686 1.00 25.43 C ATOM 232 NZ LYS A 14 -7.027 -18.290 5.754 1.00 71.23 N ATOM 0 H LYS A 14 -11.012 -14.308 6.373 1.00 23.22 H new ATOM 0 HA LYS A 14 -12.956 -16.396 6.450 1.00 25.23 H new ATOM 0 HB2 LYS A 14 -11.460 -17.597 5.106 1.00 5.34 H new ATOM 0 HB3 LYS A 14 -11.265 -15.922 4.631 1.00 5.34 H new ATOM 0 HG2 LYS A 14 -9.212 -15.762 6.004 1.00 43.54 H new ATOM 0 HG3 LYS A 14 -9.411 -17.428 6.509 1.00 43.54 H new ATOM 0 HD2 LYS A 14 -9.247 -18.167 4.135 1.00 1.11 H new ATOM 0 HD3 LYS A 14 -9.046 -16.501 3.630 1.00 1.11 H new ATOM 0 HE2 LYS A 14 -6.865 -17.601 3.759 1.00 25.43 H new ATOM 0 HE3 LYS A 14 -6.964 -16.329 4.961 1.00 25.43 H new ATOM 0 HZ1 LYS A 14 -6.003 -18.469 5.755 1.00 71.23 H new ATOM 0 HZ2 LYS A 14 -7.313 -17.908 6.678 1.00 71.23 H new ATOM 0 HZ3 LYS A 14 -7.534 -19.180 5.576 1.00 71.23 H new ATOM 246 N ASP A 15 -10.773 -16.294 8.799 1.00 24.42 N ATOM 247 CA ASP A 15 -10.373 -16.866 10.082 1.00 71.42 C ATOM 248 C ASP A 15 -11.535 -16.850 11.064 1.00 4.23 C ATOM 249 O ASP A 15 -11.811 -17.844 11.734 1.00 41.31 O ATOM 250 CB ASP A 15 -9.205 -16.075 10.670 1.00 52.33 C ATOM 251 CG ASP A 15 -8.763 -16.597 12.021 1.00 51.34 C ATOM 252 OD1 ASP A 15 -7.908 -17.508 12.055 1.00 5.24 O ATOM 253 OD2 ASP A 15 -9.257 -16.092 13.051 1.00 44.33 O ATOM 0 H ASP A 15 -10.447 -15.339 8.650 1.00 24.42 H new ATOM 0 HA ASP A 15 -10.066 -17.898 9.912 1.00 71.42 H new ATOM 0 HB2 ASP A 15 -8.363 -16.111 9.979 1.00 52.33 H new ATOM 0 HB3 ASP A 15 -9.493 -15.028 10.767 1.00 52.33 H new ATOM 258 N GLN A 16 -12.207 -15.707 11.143 1.00 1.11 N ATOM 259 CA GLN A 16 -13.355 -15.546 12.035 1.00 52.22 C ATOM 260 C GLN A 16 -14.464 -16.500 11.639 1.00 71.42 C ATOM 261 O GLN A 16 -15.236 -16.968 12.475 1.00 34.22 O ATOM 262 CB GLN A 16 -13.899 -14.117 11.985 1.00 51.40 C ATOM 263 CG GLN A 16 -12.833 -13.056 11.903 1.00 53.43 C ATOM 264 CD GLN A 16 -13.315 -11.715 12.404 1.00 32.34 C ATOM 265 OE1 GLN A 16 -14.150 -11.632 13.304 1.00 24.54 O ATOM 266 NE2 GLN A 16 -12.820 -10.660 11.792 1.00 72.44 N ATOM 0 H GLN A 16 -11.978 -14.875 10.600 1.00 1.11 H new ATOM 0 HA GLN A 16 -13.016 -15.764 13.048 1.00 52.22 H new ATOM 0 HB2 GLN A 16 -14.559 -14.021 11.123 1.00 51.40 H new ATOM 0 HB3 GLN A 16 -14.506 -13.939 12.873 1.00 51.40 H new ATOM 0 HG2 GLN A 16 -11.967 -13.369 12.487 1.00 53.43 H new ATOM 0 HG3 GLN A 16 -12.502 -12.957 10.869 1.00 53.43 H new ATOM 0 HE21 GLN A 16 -12.129 -10.778 11.051 1.00 72.44 H new ATOM 0 HE22 GLN A 16 -13.127 -9.725 12.059 1.00 72.44 H new ATOM 275 N GLY A 17 -14.526 -16.779 10.351 1.00 10.43 N ATOM 276 CA GLY A 17 -15.563 -17.623 9.824 1.00 3.41 C ATOM 277 C GLY A 17 -16.410 -16.896 8.813 1.00 1.34 C ATOM 278 O GLY A 17 -17.628 -17.075 8.763 1.00 4.52 O ATOM 0 H GLY A 17 -13.867 -16.430 9.656 1.00 10.43 H new ATOM 0 HA2 GLY A 17 -15.116 -18.502 9.360 1.00 3.41 H new ATOM 0 HA3 GLY A 17 -16.193 -17.978 10.639 1.00 3.41 H new ATOM 282 N CYS A 18 -15.782 -16.032 8.028 1.00 52.32 N ATOM 283 CA CYS A 18 -16.489 -15.356 6.957 1.00 50.33 C ATOM 284 C CYS A 18 -15.865 -15.679 5.609 1.00 24.54 C ATOM 285 O CYS A 18 -14.659 -15.542 5.438 1.00 2.33 O ATOM 286 CB CYS A 18 -16.466 -13.838 7.155 1.00 53.42 C ATOM 287 SG CYS A 18 -17.771 -12.982 6.214 1.00 64.43 S ATOM 0 H CYS A 18 -14.796 -15.786 8.113 1.00 52.32 H new ATOM 0 HA CYS A 18 -17.520 -15.709 6.979 1.00 50.33 H new ATOM 0 HB2 CYS A 18 -16.582 -13.613 8.215 1.00 53.42 H new ATOM 0 HB3 CYS A 18 -15.493 -13.452 6.852 1.00 53.42 H new ATOM 0 HG CYS A 18 -17.567 -11.699 6.258 1.00 64.43 H new ATOM 292 N GLU A 19 -16.677 -16.128 4.664 1.00 50.35 N ATOM 293 CA GLU A 19 -16.251 -16.186 3.279 1.00 61.13 C ATOM 294 C GLU A 19 -17.376 -15.690 2.380 1.00 10.34 C ATOM 295 O GLU A 19 -18.032 -16.462 1.678 1.00 34.20 O ATOM 296 CB GLU A 19 -15.797 -17.591 2.876 1.00 33.42 C ATOM 297 CG GLU A 19 -15.130 -17.632 1.510 1.00 32.23 C ATOM 298 CD GLU A 19 -14.484 -18.965 1.215 1.00 5.52 C ATOM 299 OE1 GLU A 19 -15.184 -19.879 0.731 1.00 43.44 O ATOM 300 OE2 GLU A 19 -13.271 -19.108 1.463 1.00 43.23 O ATOM 0 H GLU A 19 -17.628 -16.455 4.832 1.00 50.35 H new ATOM 0 HA GLU A 19 -15.385 -15.536 3.159 1.00 61.13 H new ATOM 0 HB2 GLU A 19 -15.102 -17.971 3.625 1.00 33.42 H new ATOM 0 HB3 GLU A 19 -16.659 -18.258 2.873 1.00 33.42 H new ATOM 0 HG2 GLU A 19 -15.872 -17.415 0.742 1.00 32.23 H new ATOM 0 HG3 GLU A 19 -14.375 -16.847 1.455 1.00 32.23 H new ATOM 307 N ASP A 20 -17.623 -14.393 2.471 1.00 33.01 N ATOM 308 CA ASP A 20 -18.589 -13.709 1.623 1.00 23.14 C ATOM 309 C ASP A 20 -18.165 -12.258 1.500 1.00 51.13 C ATOM 310 O ASP A 20 -18.625 -11.387 2.246 1.00 62.20 O ATOM 311 CB ASP A 20 -20.015 -13.803 2.183 1.00 43.53 C ATOM 312 CG ASP A 20 -21.061 -13.265 1.212 1.00 24.31 C ATOM 313 OD1 ASP A 20 -21.134 -12.035 1.019 1.00 34.44 O ATOM 314 OD2 ASP A 20 -21.818 -14.077 0.638 1.00 24.31 O ATOM 0 H ASP A 20 -17.156 -13.780 3.140 1.00 33.01 H new ATOM 0 HA ASP A 20 -18.605 -14.190 0.645 1.00 23.14 H new ATOM 0 HB2 ASP A 20 -20.242 -14.843 2.417 1.00 43.53 H new ATOM 0 HB3 ASP A 20 -20.072 -13.246 3.118 1.00 43.53 H new ATOM 319 N PHE A 21 -17.212 -12.029 0.613 1.00 22.42 N ATOM 320 CA PHE A 21 -16.645 -10.711 0.408 1.00 52.23 C ATOM 321 C PHE A 21 -15.849 -10.674 -0.887 1.00 33.33 C ATOM 322 O PHE A 21 -15.476 -11.719 -1.425 1.00 63.55 O ATOM 323 CB PHE A 21 -15.762 -10.293 1.598 1.00 14.34 C ATOM 324 CG PHE A 21 -14.930 -11.398 2.206 1.00 33.43 C ATOM 325 CD1 PHE A 21 -13.766 -11.843 1.598 1.00 20.11 C ATOM 326 CD2 PHE A 21 -15.312 -11.977 3.405 1.00 43.53 C ATOM 327 CE1 PHE A 21 -12.998 -12.841 2.181 1.00 32.23 C ATOM 328 CE2 PHE A 21 -14.553 -12.973 3.985 1.00 22.43 C ATOM 329 CZ PHE A 21 -13.394 -13.410 3.377 1.00 34.34 C ATOM 0 H PHE A 21 -16.811 -12.752 0.016 1.00 22.42 H new ATOM 0 HA PHE A 21 -17.466 -9.997 0.335 1.00 52.23 H new ATOM 0 HB2 PHE A 21 -15.094 -9.496 1.271 1.00 14.34 H new ATOM 0 HB3 PHE A 21 -16.402 -9.874 2.374 1.00 14.34 H new ATOM 0 HD1 PHE A 21 -13.454 -11.408 0.660 1.00 20.11 H new ATOM 0 HD2 PHE A 21 -16.216 -11.644 3.893 1.00 43.53 H new ATOM 0 HE1 PHE A 21 -12.090 -13.173 1.700 1.00 32.23 H new ATOM 0 HE2 PHE A 21 -14.868 -13.413 4.920 1.00 22.43 H new ATOM 0 HZ PHE A 21 -12.801 -14.190 3.832 1.00 34.34 H new ATOM 339 N GLY A 22 -15.602 -9.476 -1.384 1.00 55.20 N ATOM 340 CA GLY A 22 -14.868 -9.314 -2.622 1.00 22.04 C ATOM 341 C GLY A 22 -14.783 -7.860 -3.026 1.00 45.32 C ATOM 342 O GLY A 22 -15.177 -6.984 -2.260 1.00 15.11 O ATOM 0 H GLY A 22 -15.899 -8.603 -0.949 1.00 55.20 H new ATOM 0 HA2 GLY A 22 -13.863 -9.721 -2.507 1.00 22.04 H new ATOM 0 HA3 GLY A 22 -15.354 -9.885 -3.413 1.00 22.04 H new ATOM 346 N THR A 23 -14.276 -7.598 -4.216 1.00 0.13 N ATOM 347 CA THR A 23 -14.137 -6.234 -4.698 1.00 53.14 C ATOM 348 C THR A 23 -14.820 -6.052 -6.045 1.00 73.04 C ATOM 349 O THR A 23 -14.836 -6.966 -6.875 1.00 74.23 O ATOM 350 CB THR A 23 -12.652 -5.834 -4.831 1.00 32.14 C ATOM 351 OG1 THR A 23 -11.897 -6.921 -5.384 1.00 22.41 O ATOM 352 CG2 THR A 23 -12.066 -5.436 -3.489 1.00 51.23 C ATOM 0 H THR A 23 -13.953 -8.312 -4.869 1.00 0.13 H new ATOM 0 HA THR A 23 -14.617 -5.590 -3.961 1.00 53.14 H new ATOM 0 HB THR A 23 -12.596 -4.974 -5.498 1.00 32.14 H new ATOM 0 HG1 THR A 23 -11.333 -7.316 -4.686 1.00 22.41 H new ATOM 0 HG21 THR A 23 -11.019 -5.160 -3.617 1.00 51.23 H new ATOM 0 HG22 THR A 23 -12.619 -4.587 -3.088 1.00 51.23 H new ATOM 0 HG23 THR A 23 -12.138 -6.275 -2.797 1.00 51.23 H new ATOM 360 N LYS A 24 -15.410 -4.887 -6.255 1.00 43.22 N ATOM 361 CA LYS A 24 -15.927 -4.543 -7.568 1.00 33.34 C ATOM 362 C LYS A 24 -15.418 -3.173 -7.992 1.00 43.31 C ATOM 363 O LYS A 24 -15.556 -2.184 -7.268 1.00 24.24 O ATOM 364 CB LYS A 24 -17.469 -4.621 -7.621 1.00 65.11 C ATOM 365 CG LYS A 24 -18.221 -3.582 -6.800 1.00 13.14 C ATOM 366 CD LYS A 24 -18.621 -2.384 -7.653 1.00 24.53 C ATOM 367 CE LYS A 24 -19.614 -1.484 -6.937 1.00 32.41 C ATOM 368 NZ LYS A 24 -20.975 -2.080 -6.882 1.00 24.11 N ATOM 0 H LYS A 24 -15.542 -4.170 -5.541 1.00 43.22 H new ATOM 0 HA LYS A 24 -15.557 -5.281 -8.280 1.00 33.34 H new ATOM 0 HB2 LYS A 24 -17.782 -4.528 -8.661 1.00 65.11 H new ATOM 0 HB3 LYS A 24 -17.774 -5.611 -7.283 1.00 65.11 H new ATOM 0 HG2 LYS A 24 -19.112 -4.035 -6.365 1.00 13.14 H new ATOM 0 HG3 LYS A 24 -17.596 -3.249 -5.972 1.00 13.14 H new ATOM 0 HD2 LYS A 24 -17.732 -1.810 -7.912 1.00 24.53 H new ATOM 0 HD3 LYS A 24 -19.057 -2.734 -8.588 1.00 24.53 H new ATOM 0 HE2 LYS A 24 -19.262 -1.292 -5.923 1.00 32.41 H new ATOM 0 HE3 LYS A 24 -19.661 -0.521 -7.446 1.00 32.41 H new ATOM 0 HZ1 LYS A 24 -21.290 -2.136 -5.892 1.00 24.11 H new ATOM 0 HZ2 LYS A 24 -21.636 -1.486 -7.422 1.00 24.11 H new ATOM 0 HZ3 LYS A 24 -20.953 -3.035 -7.293 1.00 24.11 H new ATOM 743 N TYR A 47 -15.072 7.963 -13.321 1.00 54.10 N ATOM 744 CA TYR A 47 -14.313 7.629 -12.135 1.00 12.33 C ATOM 745 C TYR A 47 -14.503 6.168 -11.773 1.00 55.12 C ATOM 746 O TYR A 47 -15.609 5.631 -11.863 1.00 2.33 O ATOM 747 CB TYR A 47 -14.729 8.527 -10.964 1.00 32.24 C ATOM 748 CG TYR A 47 -14.192 9.942 -11.036 1.00 52.22 C ATOM 749 CD1 TYR A 47 -14.609 10.826 -12.023 1.00 32.14 C ATOM 750 CD2 TYR A 47 -13.260 10.391 -10.111 1.00 11.23 C ATOM 751 CE1 TYR A 47 -14.111 12.112 -12.086 1.00 74.24 C ATOM 752 CE2 TYR A 47 -12.757 11.676 -10.169 1.00 1.14 C ATOM 753 CZ TYR A 47 -13.185 12.532 -11.159 1.00 12.23 C ATOM 754 OH TYR A 47 -12.677 13.809 -11.227 1.00 71.41 O ATOM 0 HA TYR A 47 -13.257 7.797 -12.345 1.00 12.33 H new ATOM 0 HB2 TYR A 47 -15.817 8.567 -10.922 1.00 32.24 H new ATOM 0 HB3 TYR A 47 -14.390 8.070 -10.034 1.00 32.24 H new ATOM 0 HD1 TYR A 47 -15.335 10.502 -12.754 1.00 32.14 H new ATOM 0 HD2 TYR A 47 -12.922 9.724 -9.332 1.00 11.23 H new ATOM 0 HE1 TYR A 47 -14.447 12.786 -12.860 1.00 74.24 H new ATOM 0 HE2 TYR A 47 -12.031 12.008 -9.441 1.00 1.14 H new ATOM 0 HH TYR A 47 -12.036 13.945 -10.498 1.00 71.41 H new ATOM 764 N TYR A 48 -13.413 5.529 -11.393 1.00 32.01 N ATOM 765 CA TYR A 48 -13.445 4.154 -10.938 1.00 34.11 C ATOM 766 C TYR A 48 -14.025 4.083 -9.538 1.00 52.22 C ATOM 767 O TYR A 48 -13.398 4.517 -8.571 1.00 52.42 O ATOM 768 CB TYR A 48 -12.039 3.547 -10.946 1.00 54.42 C ATOM 769 CG TYR A 48 -11.598 3.000 -12.286 1.00 60.43 C ATOM 770 CD1 TYR A 48 -12.221 3.383 -13.465 1.00 74.21 C ATOM 771 CD2 TYR A 48 -10.560 2.082 -12.363 1.00 51.35 C ATOM 772 CE1 TYR A 48 -11.817 2.871 -14.683 1.00 0.34 C ATOM 773 CE2 TYR A 48 -10.153 1.564 -13.575 1.00 32.32 C ATOM 774 CZ TYR A 48 -10.786 1.958 -14.731 1.00 11.21 C ATOM 775 OH TYR A 48 -10.384 1.437 -15.941 1.00 0.35 O ATOM 0 H TYR A 48 -12.483 5.948 -11.391 1.00 32.01 H new ATOM 0 HA TYR A 48 -14.075 3.583 -11.620 1.00 34.11 H new ATOM 0 HB2 TYR A 48 -11.327 4.308 -10.627 1.00 54.42 H new ATOM 0 HB3 TYR A 48 -12.000 2.744 -10.210 1.00 54.42 H new ATOM 0 HD1 TYR A 48 -13.035 4.092 -13.430 1.00 74.21 H new ATOM 0 HD2 TYR A 48 -10.062 1.768 -11.458 1.00 51.35 H new ATOM 0 HE1 TYR A 48 -12.307 3.185 -15.593 1.00 0.34 H new ATOM 0 HE2 TYR A 48 -9.341 0.853 -13.616 1.00 32.32 H new ATOM 0 HH TYR A 48 -9.645 0.809 -15.798 1.00 0.35 H new ATOM 785 N GLY A 49 -15.225 3.553 -9.444 1.00 43.44 N ATOM 786 CA GLY A 49 -15.856 3.369 -8.162 1.00 61.34 C ATOM 787 C GLY A 49 -15.397 2.085 -7.508 1.00 41.32 C ATOM 788 O GLY A 49 -16.141 1.103 -7.447 1.00 42.51 O ATOM 0 H GLY A 49 -15.780 3.243 -10.241 1.00 43.44 H new ATOM 0 HA2 GLY A 49 -15.623 4.214 -7.514 1.00 61.34 H new ATOM 0 HA3 GLY A 49 -16.939 3.351 -8.286 1.00 61.34 H new ATOM 792 N PHE A 50 -14.150 2.080 -7.059 1.00 4.44 N ATOM 793 CA PHE A 50 -13.600 0.934 -6.356 1.00 61.22 C ATOM 794 C PHE A 50 -14.319 0.745 -5.036 1.00 64.24 C ATOM 795 O PHE A 50 -14.569 1.708 -4.316 1.00 10.34 O ATOM 796 CB PHE A 50 -12.104 1.110 -6.105 1.00 71.44 C ATOM 797 CG PHE A 50 -11.232 0.337 -7.051 1.00 4.11 C ATOM 798 CD1 PHE A 50 -10.972 -1.005 -6.825 1.00 21.31 C ATOM 799 CD2 PHE A 50 -10.666 0.946 -8.157 1.00 63.33 C ATOM 800 CE1 PHE A 50 -10.166 -1.723 -7.684 1.00 44.24 C ATOM 801 CE2 PHE A 50 -9.860 0.235 -9.014 1.00 52.23 C ATOM 802 CZ PHE A 50 -9.607 -1.101 -8.780 1.00 42.41 C ATOM 0 H PHE A 50 -13.501 2.859 -7.170 1.00 4.44 H new ATOM 0 HA PHE A 50 -13.743 0.052 -6.980 1.00 61.22 H new ATOM 0 HB2 PHE A 50 -11.855 2.169 -6.180 1.00 71.44 H new ATOM 0 HB3 PHE A 50 -11.878 0.801 -5.084 1.00 71.44 H new ATOM 0 HD1 PHE A 50 -11.406 -1.495 -5.966 1.00 21.31 H new ATOM 0 HD2 PHE A 50 -10.860 1.991 -8.349 1.00 63.33 H new ATOM 0 HE1 PHE A 50 -9.973 -2.769 -7.498 1.00 44.24 H new ATOM 0 HE2 PHE A 50 -9.424 0.723 -9.873 1.00 52.23 H new ATOM 0 HZ PHE A 50 -8.973 -1.658 -9.454 1.00 42.41 H new ATOM 812 N SER A 51 -14.659 -0.488 -4.722 1.00 52.13 N ATOM 813 CA SER A 51 -15.382 -0.768 -3.503 1.00 2.31 C ATOM 814 C SER A 51 -15.191 -2.209 -3.062 1.00 21.35 C ATOM 815 O SER A 51 -15.000 -3.108 -3.887 1.00 11.42 O ATOM 816 CB SER A 51 -16.863 -0.458 -3.703 1.00 51.33 C ATOM 817 OG SER A 51 -17.322 -0.967 -4.939 1.00 60.44 O ATOM 0 H SER A 51 -14.447 -1.307 -5.292 1.00 52.13 H new ATOM 0 HA SER A 51 -14.985 -0.131 -2.713 1.00 2.31 H new ATOM 0 HB2 SER A 51 -17.443 -0.892 -2.888 1.00 51.33 H new ATOM 0 HB3 SER A 51 -17.021 0.620 -3.668 1.00 51.33 H new ATOM 0 HG SER A 51 -17.510 -0.224 -5.549 1.00 60.44 H new ATOM 823 N PHE A 52 -15.234 -2.416 -1.758 1.00 44.30 N ATOM 824 CA PHE A 52 -15.134 -3.744 -1.200 1.00 24.33 C ATOM 825 C PHE A 52 -16.494 -4.190 -0.690 1.00 42.44 C ATOM 826 O PHE A 52 -17.088 -3.539 0.183 1.00 51.52 O ATOM 827 CB PHE A 52 -14.107 -3.805 -0.068 1.00 15.43 C ATOM 828 CG PHE A 52 -13.784 -5.218 0.314 1.00 42.42 C ATOM 829 CD1 PHE A 52 -14.539 -5.882 1.265 1.00 11.23 C ATOM 830 CD2 PHE A 52 -12.746 -5.890 -0.302 1.00 71.44 C ATOM 831 CE1 PHE A 52 -14.261 -7.189 1.595 1.00 44.23 C ATOM 832 CE2 PHE A 52 -12.465 -7.201 0.019 1.00 23.41 C ATOM 833 CZ PHE A 52 -13.224 -7.852 0.968 1.00 12.21 C ATOM 0 H PHE A 52 -15.338 -1.674 -1.066 1.00 44.30 H new ATOM 0 HA PHE A 52 -14.798 -4.416 -1.990 1.00 24.33 H new ATOM 0 HB2 PHE A 52 -13.195 -3.294 -0.377 1.00 15.43 H new ATOM 0 HB3 PHE A 52 -14.492 -3.272 0.801 1.00 15.43 H new ATOM 0 HD1 PHE A 52 -15.355 -5.369 1.753 1.00 11.23 H new ATOM 0 HD2 PHE A 52 -12.147 -5.382 -1.044 1.00 71.44 H new ATOM 0 HE1 PHE A 52 -14.853 -7.695 2.343 1.00 44.23 H new ATOM 0 HE2 PHE A 52 -11.653 -7.717 -0.472 1.00 23.41 H new ATOM 0 HZ PHE A 52 -13.008 -8.879 1.221 1.00 12.21 H new ATOM 843 N PHE A 53 -16.971 -5.300 -1.235 1.00 23.15 N ATOM 844 CA PHE A 53 -18.275 -5.835 -0.890 1.00 61.10 C ATOM 845 C PHE A 53 -18.179 -6.819 0.262 1.00 44.22 C ATOM 846 O PHE A 53 -17.217 -7.579 0.375 1.00 32.21 O ATOM 847 CB PHE A 53 -18.921 -6.513 -2.097 1.00 54.15 C ATOM 848 CG PHE A 53 -19.985 -5.681 -2.742 1.00 32.21 C ATOM 849 CD1 PHE A 53 -21.296 -5.759 -2.305 1.00 64.14 C ATOM 850 CD2 PHE A 53 -19.678 -4.819 -3.777 1.00 31.35 C ATOM 851 CE1 PHE A 53 -22.283 -4.992 -2.889 1.00 24.40 C ATOM 852 CE2 PHE A 53 -20.661 -4.050 -4.366 1.00 52.40 C ATOM 853 CZ PHE A 53 -21.964 -4.135 -3.921 1.00 14.42 C ATOM 0 H PHE A 53 -16.464 -5.852 -1.927 1.00 23.15 H new ATOM 0 HA PHE A 53 -18.899 -4.997 -0.579 1.00 61.10 H new ATOM 0 HB2 PHE A 53 -18.150 -6.740 -2.834 1.00 54.15 H new ATOM 0 HB3 PHE A 53 -19.352 -7.464 -1.784 1.00 54.15 H new ATOM 0 HD1 PHE A 53 -21.550 -6.429 -1.497 1.00 64.14 H new ATOM 0 HD2 PHE A 53 -18.659 -4.746 -4.128 1.00 31.35 H new ATOM 0 HE1 PHE A 53 -23.302 -5.063 -2.539 1.00 24.40 H new ATOM 0 HE2 PHE A 53 -20.410 -3.381 -5.176 1.00 52.40 H new ATOM 0 HZ PHE A 53 -22.733 -3.531 -4.380 1.00 14.42 H new ATOM 863 N ARG A 54 -19.191 -6.791 1.107 1.00 1.31 N ATOM 864 CA ARG A 54 -19.247 -7.632 2.287 1.00 31.42 C ATOM 865 C ARG A 54 -20.695 -7.994 2.602 1.00 11.44 C ATOM 866 O ARG A 54 -21.452 -7.155 3.087 1.00 3.34 O ATOM 867 CB ARG A 54 -18.623 -6.884 3.463 1.00 63.54 C ATOM 868 CG ARG A 54 -18.923 -7.475 4.830 1.00 33.12 C ATOM 869 CD ARG A 54 -18.336 -8.862 4.999 1.00 72.52 C ATOM 870 NE ARG A 54 -18.391 -9.282 6.396 1.00 41.24 N ATOM 871 CZ ARG A 54 -17.437 -8.995 7.277 1.00 33.32 C ATOM 872 NH1 ARG A 54 -16.370 -8.325 6.878 1.00 5.21 N ATOM 873 NH2 ARG A 54 -17.556 -9.350 8.555 1.00 14.42 N ATOM 0 H ARG A 54 -20.001 -6.182 0.994 1.00 1.31 H new ATOM 0 HA ARG A 54 -18.692 -8.553 2.107 1.00 31.42 H new ATOM 0 HB2 ARG A 54 -17.542 -6.857 3.325 1.00 63.54 H new ATOM 0 HB3 ARG A 54 -18.973 -5.852 3.445 1.00 63.54 H new ATOM 0 HG2 ARG A 54 -18.524 -6.818 5.603 1.00 33.12 H new ATOM 0 HG3 ARG A 54 -20.002 -7.520 4.975 1.00 33.12 H new ATOM 0 HD2 ARG A 54 -18.884 -9.572 4.379 1.00 72.52 H new ATOM 0 HD3 ARG A 54 -17.302 -8.869 4.653 1.00 72.52 H new ATOM 0 HE ARG A 54 -19.198 -9.820 6.711 1.00 41.24 H new ATOM 0 HH11 ARG A 54 -16.285 -8.034 5.904 1.00 5.21 H new ATOM 0 HH12 ARG A 54 -15.631 -8.099 7.544 1.00 5.21 H new ATOM 0 HH21 ARG A 54 -18.388 -9.849 8.870 1.00 14.42 H new ATOM 0 HH22 ARG A 54 -16.815 -9.123 9.219 1.00 14.42 H new ATOM 887 N HIS A 55 -21.078 -9.232 2.295 1.00 31.32 N ATOM 888 CA HIS A 55 -22.444 -9.710 2.534 1.00 3.52 C ATOM 889 C HIS A 55 -23.468 -8.878 1.771 1.00 52.25 C ATOM 890 O HIS A 55 -24.621 -8.759 2.191 1.00 63.04 O ATOM 891 CB HIS A 55 -22.776 -9.687 4.028 1.00 10.33 C ATOM 892 CG HIS A 55 -22.403 -10.935 4.757 1.00 54.42 C ATOM 893 ND1 HIS A 55 -23.326 -11.839 5.237 1.00 61.12 N ATOM 894 CD2 HIS A 55 -21.184 -11.418 5.112 1.00 2.34 C ATOM 895 CE1 HIS A 55 -22.661 -12.814 5.856 1.00 63.33 C ATOM 896 NE2 HIS A 55 -21.360 -12.609 5.809 1.00 21.34 N ATOM 0 H HIS A 55 -20.460 -9.928 1.878 1.00 31.32 H new ATOM 0 HA HIS A 55 -22.493 -10.737 2.172 1.00 3.52 H new ATOM 0 HB2 HIS A 55 -22.264 -8.843 4.490 1.00 10.33 H new ATOM 0 HB3 HIS A 55 -23.846 -9.515 4.148 1.00 10.33 H new ATOM 0 HD2 HIS A 55 -20.235 -10.954 4.890 1.00 2.34 H new ATOM 0 HE1 HIS A 55 -23.128 -13.662 6.334 1.00 63.33 H new ATOM 0 HE2 HIS A 55 -20.630 -13.203 6.203 1.00 21.34 H new ATOM 904 N GLY A 56 -23.047 -8.316 0.646 1.00 74.13 N ATOM 905 CA GLY A 56 -23.930 -7.481 -0.146 1.00 51.10 C ATOM 906 C GLY A 56 -23.882 -6.025 0.277 1.00 64.54 C ATOM 907 O GLY A 56 -24.534 -5.172 -0.327 1.00 63.53 O ATOM 0 H GLY A 56 -22.106 -8.424 0.266 1.00 74.13 H new ATOM 0 HA2 GLY A 56 -23.654 -7.560 -1.198 1.00 51.10 H new ATOM 0 HA3 GLY A 56 -24.952 -7.849 -0.056 1.00 51.10 H new ATOM 911 N ASN A 57 -23.115 -5.740 1.323 1.00 32.55 N ATOM 912 CA ASN A 57 -22.947 -4.370 1.792 1.00 2.13 C ATOM 913 C ASN A 57 -21.613 -3.824 1.317 1.00 45.30 C ATOM 914 O ASN A 57 -20.813 -4.543 0.718 1.00 62.01 O ATOM 915 CB ASN A 57 -22.994 -4.274 3.323 1.00 40.32 C ATOM 916 CG ASN A 57 -24.130 -5.053 3.947 1.00 32.23 C ATOM 917 OD1 ASN A 57 -25.259 -4.574 4.053 1.00 50.32 O ATOM 918 ND2 ASN A 57 -23.820 -6.255 4.396 1.00 14.14 N ATOM 0 H ASN A 57 -22.601 -6.437 1.861 1.00 32.55 H new ATOM 0 HA ASN A 57 -23.773 -3.787 1.383 1.00 2.13 H new ATOM 0 HB2 ASN A 57 -22.050 -4.637 3.730 1.00 40.32 H new ATOM 0 HB3 ASN A 57 -23.083 -3.226 3.610 1.00 40.32 H new ATOM 0 HD21 ASN A 57 -24.530 -6.828 4.853 1.00 14.14 H new ATOM 0 HD22 ASN A 57 -22.871 -6.611 4.286 1.00 14.14 H new ATOM 925 N ILE A 58 -21.376 -2.559 1.605 1.00 72.35 N ATOM 926 CA ILE A 58 -20.131 -1.904 1.240 1.00 34.53 C ATOM 927 C ILE A 58 -19.332 -1.534 2.480 1.00 32.21 C ATOM 928 O ILE A 58 -19.792 -0.767 3.325 1.00 12.12 O ATOM 929 CB ILE A 58 -20.394 -0.638 0.395 1.00 54.14 C ATOM 930 CG1 ILE A 58 -20.897 -1.037 -0.992 1.00 1.33 C ATOM 931 CG2 ILE A 58 -19.143 0.226 0.285 1.00 74.53 C ATOM 932 CD1 ILE A 58 -19.853 -1.735 -1.837 1.00 14.21 C ATOM 0 H ILE A 58 -22.037 -1.957 2.096 1.00 72.35 H new ATOM 0 HA ILE A 58 -19.554 -2.609 0.642 1.00 34.53 H new ATOM 0 HB ILE A 58 -21.159 -0.044 0.895 1.00 54.14 H new ATOM 0 HG12 ILE A 58 -21.761 -1.693 -0.881 1.00 1.33 H new ATOM 0 HG13 ILE A 58 -21.239 -0.145 -1.516 1.00 1.33 H new ATOM 0 HG21 ILE A 58 -19.362 1.109 -0.316 1.00 74.53 H new ATOM 0 HG22 ILE A 58 -18.825 0.535 1.281 1.00 74.53 H new ATOM 0 HG23 ILE A 58 -18.346 -0.347 -0.189 1.00 74.53 H new ATOM 0 HD11 ILE A 58 -20.280 -1.989 -2.807 1.00 14.21 H new ATOM 0 HD12 ILE A 58 -18.998 -1.074 -1.979 1.00 14.21 H new ATOM 0 HD13 ILE A 58 -19.528 -2.646 -1.334 1.00 14.21 H new ATOM 944 N VAL A 59 -18.142 -2.097 2.584 1.00 4.02 N ATOM 945 CA VAL A 59 -17.238 -1.769 3.678 1.00 5.42 C ATOM 946 C VAL A 59 -16.268 -0.682 3.237 1.00 4.14 C ATOM 947 O VAL A 59 -15.954 0.237 3.993 1.00 4.32 O ATOM 948 CB VAL A 59 -16.458 -3.012 4.174 1.00 62.41 C ATOM 949 CG1 VAL A 59 -15.422 -2.631 5.222 1.00 12.51 C ATOM 950 CG2 VAL A 59 -17.415 -4.044 4.743 1.00 41.02 C ATOM 0 H VAL A 59 -17.776 -2.784 1.925 1.00 4.02 H new ATOM 0 HA VAL A 59 -17.840 -1.406 4.511 1.00 5.42 H new ATOM 0 HB VAL A 59 -15.936 -3.441 3.319 1.00 62.41 H new ATOM 0 HG11 VAL A 59 -14.891 -3.525 5.550 1.00 12.51 H new ATOM 0 HG12 VAL A 59 -14.712 -1.925 4.792 1.00 12.51 H new ATOM 0 HG13 VAL A 59 -15.920 -2.171 6.075 1.00 12.51 H new ATOM 0 HG21 VAL A 59 -16.852 -4.911 5.087 1.00 41.02 H new ATOM 0 HG22 VAL A 59 -17.962 -3.611 5.580 1.00 41.02 H new ATOM 0 HG23 VAL A 59 -18.119 -4.352 3.970 1.00 41.02 H new ATOM 960 N ALA A 60 -15.819 -0.775 1.996 1.00 2.52 N ATOM 961 CA ALA A 60 -14.890 0.206 1.457 1.00 22.02 C ATOM 962 C ALA A 60 -15.386 0.742 0.127 1.00 40.34 C ATOM 963 O ALA A 60 -15.934 -0.007 -0.674 1.00 32.32 O ATOM 964 CB ALA A 60 -13.508 -0.401 1.287 1.00 14.02 C ATOM 0 H ALA A 60 -16.081 -1.516 1.345 1.00 2.52 H new ATOM 0 HA ALA A 60 -14.826 1.032 2.165 1.00 22.02 H new ATOM 0 HB1 ALA A 60 -12.828 0.349 0.883 1.00 14.02 H new ATOM 0 HB2 ALA A 60 -13.139 -0.742 2.254 1.00 14.02 H new ATOM 0 HB3 ALA A 60 -13.564 -1.247 0.602 1.00 14.02 H new ATOM 970 N TYR A 61 -15.209 2.035 -0.091 1.00 23.44 N ATOM 971 CA TYR A 61 -15.522 2.643 -1.373 1.00 14.44 C ATOM 972 C TYR A 61 -14.567 3.800 -1.641 1.00 3.55 C ATOM 973 O TYR A 61 -14.277 4.597 -0.746 1.00 11.41 O ATOM 974 CB TYR A 61 -16.977 3.136 -1.412 1.00 54.11 C ATOM 975 CG TYR A 61 -17.403 3.639 -2.780 1.00 52.24 C ATOM 976 CD1 TYR A 61 -17.120 4.937 -3.179 1.00 61.22 C ATOM 977 CD2 TYR A 61 -18.065 2.810 -3.677 1.00 54.13 C ATOM 978 CE1 TYR A 61 -17.485 5.396 -4.427 1.00 20.32 C ATOM 979 CE2 TYR A 61 -18.428 3.261 -4.935 1.00 33.22 C ATOM 980 CZ TYR A 61 -18.135 4.558 -5.303 1.00 20.24 C ATOM 981 OH TYR A 61 -18.478 5.022 -6.555 1.00 74.12 O ATOM 0 H TYR A 61 -14.849 2.686 0.607 1.00 23.44 H new ATOM 0 HA TYR A 61 -15.402 1.888 -2.150 1.00 14.44 H new ATOM 0 HB2 TYR A 61 -17.637 2.323 -1.109 1.00 54.11 H new ATOM 0 HB3 TYR A 61 -17.102 3.936 -0.683 1.00 54.11 H new ATOM 0 HD1 TYR A 61 -16.605 5.600 -2.500 1.00 61.22 H new ATOM 0 HD2 TYR A 61 -18.301 1.796 -3.388 1.00 54.13 H new ATOM 0 HE1 TYR A 61 -17.261 6.412 -4.716 1.00 20.32 H new ATOM 0 HE2 TYR A 61 -18.937 2.602 -5.623 1.00 33.22 H new ATOM 0 HH TYR A 61 -18.930 4.311 -7.055 1.00 74.12 H new ATOM 991 N GLY A 62 -14.068 3.871 -2.864 1.00 40.23 N ATOM 992 CA GLY A 62 -13.198 4.953 -3.262 1.00 55.53 C ATOM 993 C GLY A 62 -13.308 5.239 -4.744 1.00 1.23 C ATOM 994 O GLY A 62 -12.689 4.558 -5.559 1.00 11.21 O ATOM 0 H GLY A 62 -14.254 3.187 -3.597 1.00 40.23 H new ATOM 0 HA2 GLY A 62 -13.451 5.851 -2.698 1.00 55.53 H new ATOM 0 HA3 GLY A 62 -12.167 4.701 -3.015 1.00 55.53 H new ATOM 998 N LYS A 63 -14.118 6.226 -5.094 1.00 52.14 N ATOM 999 CA LYS A 63 -14.304 6.608 -6.478 1.00 23.41 C ATOM 1000 C LYS A 63 -13.242 7.615 -6.914 1.00 55.21 C ATOM 1001 O LYS A 63 -13.185 8.734 -6.400 1.00 72.52 O ATOM 1002 CB LYS A 63 -15.708 7.180 -6.646 1.00 50.44 C ATOM 1003 CG LYS A 63 -15.930 7.905 -7.952 1.00 45.53 C ATOM 1004 CD LYS A 63 -17.406 8.088 -8.239 1.00 3.00 C ATOM 1005 CE LYS A 63 -18.147 8.728 -7.069 1.00 12.13 C ATOM 1006 NZ LYS A 63 -19.606 8.852 -7.332 1.00 44.43 N ATOM 0 H LYS A 63 -14.660 6.779 -4.430 1.00 52.14 H new ATOM 0 HA LYS A 63 -14.194 5.731 -7.116 1.00 23.41 H new ATOM 0 HB2 LYS A 63 -16.431 6.368 -6.567 1.00 50.44 H new ATOM 0 HB3 LYS A 63 -15.909 7.867 -5.824 1.00 50.44 H new ATOM 0 HG2 LYS A 63 -15.441 8.879 -7.917 1.00 45.53 H new ATOM 0 HG3 LYS A 63 -15.467 7.345 -8.764 1.00 45.53 H new ATOM 0 HD2 LYS A 63 -17.527 8.709 -9.127 1.00 3.00 H new ATOM 0 HD3 LYS A 63 -17.853 7.120 -8.464 1.00 3.00 H new ATOM 0 HE2 LYS A 63 -17.990 8.131 -6.171 1.00 12.13 H new ATOM 0 HE3 LYS A 63 -17.729 9.715 -6.872 1.00 12.13 H new ATOM 0 HZ1 LYS A 63 -20.070 9.292 -6.512 1.00 44.43 H new ATOM 0 HZ2 LYS A 63 -19.758 9.443 -8.174 1.00 44.43 H new ATOM 0 HZ3 LYS A 63 -20.011 7.908 -7.494 1.00 44.43 H new ATOM 1020 N SER A 64 -12.404 7.209 -7.857 1.00 65.10 N ATOM 1021 CA SER A 64 -11.317 8.053 -8.326 1.00 52.34 C ATOM 1022 C SER A 64 -11.031 7.795 -9.804 1.00 21.15 C ATOM 1023 O SER A 64 -11.285 6.706 -10.310 1.00 3.21 O ATOM 1024 CB SER A 64 -10.066 7.790 -7.488 1.00 1.34 C ATOM 1025 OG SER A 64 -8.993 8.626 -7.879 1.00 60.55 O ATOM 0 H SER A 64 -12.457 6.298 -8.313 1.00 65.10 H new ATOM 0 HA SER A 64 -11.609 9.097 -8.216 1.00 52.34 H new ATOM 0 HB2 SER A 64 -10.292 7.955 -6.434 1.00 1.34 H new ATOM 0 HB3 SER A 64 -9.771 6.746 -7.591 1.00 1.34 H new ATOM 0 HG SER A 64 -8.464 8.870 -7.091 1.00 60.55 H new ATOM 1031 N ARG A 65 -10.506 8.806 -10.492 1.00 12.23 N ATOM 1032 CA ARG A 65 -10.196 8.690 -11.916 1.00 44.50 C ATOM 1033 C ARG A 65 -9.005 7.758 -12.121 1.00 32.11 C ATOM 1034 O ARG A 65 -8.879 7.096 -13.151 1.00 30.53 O ATOM 1035 CB ARG A 65 -9.889 10.071 -12.514 1.00 24.35 C ATOM 1036 CG ARG A 65 -8.589 10.678 -12.007 1.00 62.01 C ATOM 1037 CD ARG A 65 -8.361 12.082 -12.539 1.00 4.13 C ATOM 1038 NE ARG A 65 -7.077 12.625 -12.095 1.00 50.43 N ATOM 1039 CZ ARG A 65 -6.800 13.928 -12.019 1.00 4.25 C ATOM 1040 NH1 ARG A 65 -7.739 14.830 -12.277 1.00 15.21 N ATOM 1041 NH2 ARG A 65 -5.585 14.331 -11.662 1.00 35.41 N ATOM 0 H ARG A 65 -10.286 9.716 -10.087 1.00 12.23 H new ATOM 0 HA ARG A 65 -11.065 8.274 -12.426 1.00 44.50 H new ATOM 0 HB2 ARG A 65 -9.841 9.985 -13.600 1.00 24.35 H new ATOM 0 HB3 ARG A 65 -10.711 10.749 -12.283 1.00 24.35 H new ATOM 0 HG2 ARG A 65 -8.603 10.703 -10.917 1.00 62.01 H new ATOM 0 HG3 ARG A 65 -7.755 10.041 -12.300 1.00 62.01 H new ATOM 0 HD2 ARG A 65 -8.394 12.069 -13.628 1.00 4.13 H new ATOM 0 HD3 ARG A 65 -9.168 12.734 -12.204 1.00 4.13 H new ATOM 0 HE ARG A 65 -6.347 11.965 -11.826 1.00 50.43 H new ATOM 0 HH11 ARG A 65 -8.679 14.529 -12.535 1.00 15.21 H new ATOM 0 HH12 ARG A 65 -7.521 15.825 -12.217 1.00 15.21 H new ATOM 0 HH21 ARG A 65 -4.863 13.644 -11.446 1.00 35.41 H new ATOM 0 HH22 ARG A 65 -5.375 15.327 -11.604 1.00 35.41 H new ATOM 1055 N LYS A 66 -8.143 7.714 -11.121 1.00 72.15 N ATOM 1056 CA LYS A 66 -6.958 6.884 -11.161 1.00 32.05 C ATOM 1057 C LYS A 66 -7.260 5.537 -10.516 1.00 14.34 C ATOM 1058 O LYS A 66 -7.665 5.486 -9.357 1.00 11.42 O ATOM 1059 CB LYS A 66 -5.822 7.586 -10.414 1.00 41.20 C ATOM 1060 CG LYS A 66 -4.477 6.898 -10.535 1.00 73.53 C ATOM 1061 CD LYS A 66 -3.465 7.483 -9.565 1.00 50.41 C ATOM 1062 CE LYS A 66 -2.071 6.928 -9.807 1.00 73.14 C ATOM 1063 NZ LYS A 66 -1.474 7.447 -11.065 1.00 2.22 N ATOM 0 H LYS A 66 -8.247 8.252 -10.261 1.00 72.15 H new ATOM 0 HA LYS A 66 -6.656 6.721 -12.195 1.00 32.05 H new ATOM 0 HB2 LYS A 66 -5.731 8.605 -10.790 1.00 41.20 H new ATOM 0 HB3 LYS A 66 -6.087 7.658 -9.359 1.00 41.20 H new ATOM 0 HG2 LYS A 66 -4.594 5.832 -10.342 1.00 73.53 H new ATOM 0 HG3 LYS A 66 -4.106 6.999 -11.555 1.00 73.53 H new ATOM 0 HD2 LYS A 66 -3.448 8.568 -9.667 1.00 50.41 H new ATOM 0 HD3 LYS A 66 -3.772 7.264 -8.542 1.00 50.41 H new ATOM 0 HE2 LYS A 66 -1.427 7.187 -8.967 1.00 73.14 H new ATOM 0 HE3 LYS A 66 -2.117 5.840 -9.850 1.00 73.14 H new ATOM 0 HZ1 LYS A 66 -0.465 7.197 -11.100 1.00 2.22 H new ATOM 0 HZ2 LYS A 66 -1.963 7.027 -11.881 1.00 2.22 H new ATOM 0 HZ3 LYS A 66 -1.575 8.482 -11.096 1.00 2.22 H new ATOM 1077 N VAL A 67 -7.069 4.455 -11.266 1.00 33.21 N ATOM 1078 CA VAL A 67 -7.324 3.112 -10.754 1.00 43.15 C ATOM 1079 C VAL A 67 -6.532 2.867 -9.466 1.00 75.23 C ATOM 1080 O VAL A 67 -7.044 2.284 -8.515 1.00 65.43 O ATOM 1081 CB VAL A 67 -6.993 2.021 -11.813 1.00 22.22 C ATOM 1082 CG1 VAL A 67 -5.520 2.012 -12.173 1.00 44.04 C ATOM 1083 CG2 VAL A 67 -7.425 0.643 -11.344 1.00 33.34 C ATOM 0 H VAL A 67 -6.738 4.482 -12.231 1.00 33.21 H new ATOM 0 HA VAL A 67 -8.388 3.043 -10.530 1.00 43.15 H new ATOM 0 HB VAL A 67 -7.558 2.274 -12.710 1.00 22.22 H new ATOM 0 HG11 VAL A 67 -5.332 1.236 -12.915 1.00 44.04 H new ATOM 0 HG12 VAL A 67 -5.240 2.982 -12.583 1.00 44.04 H new ATOM 0 HG13 VAL A 67 -4.928 1.811 -11.280 1.00 44.04 H new ATOM 0 HG21 VAL A 67 -7.179 -0.095 -12.108 1.00 33.34 H new ATOM 0 HG22 VAL A 67 -6.906 0.394 -10.418 1.00 33.34 H new ATOM 0 HG23 VAL A 67 -8.501 0.639 -11.169 1.00 33.34 H new ATOM 1093 N ALA A 68 -5.293 3.357 -9.432 1.00 23.05 N ATOM 1094 CA ALA A 68 -4.432 3.206 -8.265 1.00 53.31 C ATOM 1095 C ALA A 68 -4.922 4.042 -7.085 1.00 50.10 C ATOM 1096 O ALA A 68 -4.811 3.624 -5.933 1.00 4.41 O ATOM 1097 CB ALA A 68 -3.003 3.584 -8.616 1.00 51.42 C ATOM 0 H ALA A 68 -4.863 3.864 -10.206 1.00 23.05 H new ATOM 0 HA ALA A 68 -4.466 2.159 -7.964 1.00 53.31 H new ATOM 0 HB1 ALA A 68 -2.369 3.467 -7.737 1.00 51.42 H new ATOM 0 HB2 ALA A 68 -2.640 2.935 -9.413 1.00 51.42 H new ATOM 0 HB3 ALA A 68 -2.973 4.621 -8.950 1.00 51.42 H new ATOM 1103 N ASN A 69 -5.468 5.218 -7.370 1.00 34.21 N ATOM 1104 CA ASN A 69 -5.919 6.121 -6.312 1.00 62.32 C ATOM 1105 C ASN A 69 -7.247 5.645 -5.749 1.00 23.53 C ATOM 1106 O ASN A 69 -7.465 5.677 -4.540 1.00 4.22 O ATOM 1107 CB ASN A 69 -6.040 7.558 -6.832 1.00 53.23 C ATOM 1108 CG ASN A 69 -6.285 8.568 -5.724 1.00 54.32 C ATOM 1109 OD1 ASN A 69 -7.531 8.978 -5.556 1.00 71.15 O flip ATOM 1110 ND2 ASN A 69 -5.351 9.005 -5.051 1.00 44.23 N flip ATOM 0 H ASN A 69 -5.610 5.569 -8.317 1.00 34.21 H new ATOM 0 HA ASN A 69 -5.176 6.114 -5.515 1.00 62.32 H new ATOM 0 HB2 ASN A 69 -5.127 7.825 -7.365 1.00 53.23 H new ATOM 0 HB3 ASN A 69 -6.856 7.611 -7.552 1.00 53.23 H new ATOM 0 HD21 ASN A 69 -4.403 8.663 -5.211 1.00 44.23 H new ATOM 0 HD22 ASN A 69 -5.525 9.709 -4.334 1.00 44.23 H new ATOM 1117 N ALA A 70 -8.125 5.194 -6.636 1.00 44.54 N ATOM 1118 CA ALA A 70 -9.394 4.607 -6.232 1.00 61.33 C ATOM 1119 C ALA A 70 -9.162 3.403 -5.330 1.00 44.50 C ATOM 1120 O ALA A 70 -9.805 3.259 -4.286 1.00 35.12 O ATOM 1121 CB ALA A 70 -10.193 4.204 -7.457 1.00 74.40 C ATOM 0 H ALA A 70 -7.979 5.224 -7.645 1.00 44.54 H new ATOM 0 HA ALA A 70 -9.960 5.351 -5.671 1.00 61.33 H new ATOM 0 HB1 ALA A 70 -11.141 3.766 -7.145 1.00 74.40 H new ATOM 0 HB2 ALA A 70 -10.385 5.083 -8.072 1.00 74.40 H new ATOM 0 HB3 ALA A 70 -9.628 3.473 -8.035 1.00 74.40 H new ATOM 1127 N LYS A 71 -8.235 2.540 -5.743 1.00 23.03 N ATOM 1128 CA LYS A 71 -7.813 1.414 -4.920 1.00 74.41 C ATOM 1129 C LYS A 71 -7.328 1.905 -3.573 1.00 42.43 C ATOM 1130 O LYS A 71 -7.716 1.388 -2.532 1.00 12.42 O ATOM 1131 CB LYS A 71 -6.678 0.638 -5.589 1.00 50.11 C ATOM 1132 CG LYS A 71 -7.107 -0.168 -6.786 1.00 44.43 C ATOM 1133 CD LYS A 71 -5.958 -0.986 -7.362 1.00 14.11 C ATOM 1134 CE LYS A 71 -4.814 -0.105 -7.834 1.00 64.34 C ATOM 1135 NZ LYS A 71 -3.624 -0.901 -8.235 1.00 22.01 N ATOM 0 H LYS A 71 -7.763 2.602 -6.645 1.00 23.03 H new ATOM 0 HA LYS A 71 -8.674 0.757 -4.795 1.00 74.41 H new ATOM 0 HB2 LYS A 71 -5.903 1.341 -5.896 1.00 50.11 H new ATOM 0 HB3 LYS A 71 -6.228 -0.031 -4.856 1.00 50.11 H new ATOM 0 HG2 LYS A 71 -7.921 -0.835 -6.502 1.00 44.43 H new ATOM 0 HG3 LYS A 71 -7.497 0.501 -7.553 1.00 44.43 H new ATOM 0 HD2 LYS A 71 -5.593 -1.681 -6.606 1.00 14.11 H new ATOM 0 HD3 LYS A 71 -6.322 -1.586 -8.196 1.00 14.11 H new ATOM 0 HE2 LYS A 71 -5.147 0.499 -8.678 1.00 64.34 H new ATOM 0 HE3 LYS A 71 -4.536 0.585 -7.038 1.00 64.34 H new ATOM 0 HZ1 LYS A 71 -2.868 -0.260 -8.550 1.00 22.01 H new ATOM 0 HZ2 LYS A 71 -3.290 -1.458 -7.423 1.00 22.01 H new ATOM 0 HZ3 LYS A 71 -3.881 -1.542 -9.013 1.00 22.01 H new ATOM 1149 N TYR A 72 -6.480 2.918 -3.616 1.00 24.11 N ATOM 1150 CA TYR A 72 -5.839 3.444 -2.427 1.00 55.22 C ATOM 1151 C TYR A 72 -6.864 3.835 -1.364 1.00 64.55 C ATOM 1152 O TYR A 72 -6.724 3.478 -0.192 1.00 3.44 O ATOM 1153 CB TYR A 72 -4.973 4.648 -2.810 1.00 1.42 C ATOM 1154 CG TYR A 72 -4.527 5.507 -1.648 1.00 32.31 C ATOM 1155 CD1 TYR A 72 -3.456 5.133 -0.848 1.00 53.25 C ATOM 1156 CD2 TYR A 72 -5.173 6.705 -1.364 1.00 43.31 C ATOM 1157 CE1 TYR A 72 -3.042 5.927 0.204 1.00 11.32 C ATOM 1158 CE2 TYR A 72 -4.762 7.508 -0.317 1.00 41.15 C ATOM 1159 CZ TYR A 72 -3.697 7.113 0.465 1.00 24.12 C ATOM 1160 OH TYR A 72 -3.273 7.912 1.503 1.00 74.44 O ATOM 0 H TYR A 72 -6.218 3.398 -4.477 1.00 24.11 H new ATOM 0 HA TYR A 72 -5.210 2.664 -1.997 1.00 55.22 H new ATOM 0 HB2 TYR A 72 -4.089 4.288 -3.337 1.00 1.42 H new ATOM 0 HB3 TYR A 72 -5.531 5.270 -3.510 1.00 1.42 H new ATOM 0 HD1 TYR A 72 -2.938 4.207 -1.051 1.00 53.25 H new ATOM 0 HD2 TYR A 72 -6.011 7.013 -1.972 1.00 43.31 H new ATOM 0 HE1 TYR A 72 -2.209 5.621 0.820 1.00 11.32 H new ATOM 0 HE2 TYR A 72 -5.271 8.438 -0.113 1.00 41.15 H new ATOM 0 HH TYR A 72 -3.838 8.711 1.553 1.00 74.44 H new ATOM 1170 N ILE A 73 -7.890 4.559 -1.791 1.00 44.45 N ATOM 1171 CA ILE A 73 -8.940 5.027 -0.897 1.00 23.43 C ATOM 1172 C ILE A 73 -9.649 3.863 -0.214 1.00 41.12 C ATOM 1173 O ILE A 73 -9.714 3.805 1.015 1.00 63.25 O ATOM 1174 CB ILE A 73 -9.974 5.870 -1.661 1.00 74.03 C ATOM 1175 CG1 ILE A 73 -9.280 7.070 -2.307 1.00 71.54 C ATOM 1176 CG2 ILE A 73 -11.086 6.323 -0.720 1.00 23.40 C ATOM 1177 CD1 ILE A 73 -10.024 7.637 -3.494 1.00 23.30 C ATOM 0 H ILE A 73 -8.018 4.838 -2.764 1.00 44.45 H new ATOM 0 HA ILE A 73 -8.462 5.643 -0.136 1.00 23.43 H new ATOM 0 HB ILE A 73 -10.426 5.264 -2.447 1.00 74.03 H new ATOM 0 HG12 ILE A 73 -9.157 7.853 -1.559 1.00 71.54 H new ATOM 0 HG13 ILE A 73 -8.281 6.773 -2.624 1.00 71.54 H new ATOM 0 HG21 ILE A 73 -11.811 6.919 -1.274 1.00 23.40 H new ATOM 0 HG22 ILE A 73 -11.582 5.450 -0.296 1.00 23.40 H new ATOM 0 HG23 ILE A 73 -10.660 6.924 0.083 1.00 23.40 H new ATOM 0 HD11 ILE A 73 -9.471 8.485 -3.899 1.00 23.30 H new ATOM 0 HD12 ILE A 73 -10.124 6.869 -4.261 1.00 23.30 H new ATOM 0 HD13 ILE A 73 -11.014 7.967 -3.179 1.00 23.30 H new ATOM 1189 N MET A 74 -10.172 2.934 -1.012 1.00 74.20 N ATOM 1190 CA MET A 74 -10.904 1.798 -0.466 1.00 30.22 C ATOM 1191 C MET A 74 -9.994 0.944 0.418 1.00 33.40 C ATOM 1192 O MET A 74 -10.420 0.466 1.468 1.00 51.05 O ATOM 1193 CB MET A 74 -11.517 0.933 -1.576 1.00 1.10 C ATOM 1194 CG MET A 74 -10.489 0.284 -2.473 1.00 55.54 C ATOM 1195 SD MET A 74 -11.134 -1.135 -3.363 1.00 41.05 S ATOM 1196 CE MET A 74 -9.706 -2.202 -3.265 1.00 73.11 C ATOM 0 H MET A 74 -10.103 2.946 -2.030 1.00 74.20 H new ATOM 0 HA MET A 74 -11.717 2.197 0.140 1.00 30.22 H new ATOM 0 HB2 MET A 74 -12.133 0.157 -1.122 1.00 1.10 H new ATOM 0 HB3 MET A 74 -12.179 1.551 -2.183 1.00 1.10 H new ATOM 0 HG2 MET A 74 -10.123 1.020 -3.189 1.00 55.54 H new ATOM 0 HG3 MET A 74 -9.635 -0.028 -1.872 1.00 55.54 H new ATOM 0 HE1 MET A 74 -9.901 -3.122 -3.815 1.00 73.11 H new ATOM 0 HE2 MET A 74 -8.843 -1.696 -3.698 1.00 73.11 H new ATOM 0 HE3 MET A 74 -9.501 -2.440 -2.221 1.00 73.11 H new ATOM 1206 N LYS A 75 -8.737 0.774 -0.002 1.00 34.30 N ATOM 1207 CA LYS A 75 -7.766 0.008 0.771 1.00 31.32 C ATOM 1208 C LYS A 75 -7.651 0.568 2.179 1.00 44.35 C ATOM 1209 O LYS A 75 -7.777 -0.165 3.156 1.00 21.13 O ATOM 1210 CB LYS A 75 -6.389 0.040 0.100 1.00 20.23 C ATOM 1211 CG LYS A 75 -6.276 -0.816 -1.154 1.00 31.11 C ATOM 1212 CD LYS A 75 -5.047 -0.429 -1.955 1.00 0.32 C ATOM 1213 CE LYS A 75 -4.839 -1.318 -3.171 1.00 3.23 C ATOM 1214 NZ LYS A 75 -4.436 -2.700 -2.802 1.00 35.44 N ATOM 0 H LYS A 75 -8.372 1.158 -0.874 1.00 34.30 H new ATOM 0 HA LYS A 75 -8.114 -1.024 0.818 1.00 31.32 H new ATOM 0 HB2 LYS A 75 -6.148 1.072 -0.157 1.00 20.23 H new ATOM 0 HB3 LYS A 75 -5.641 -0.292 0.820 1.00 20.23 H new ATOM 0 HG2 LYS A 75 -6.220 -1.869 -0.878 1.00 31.11 H new ATOM 0 HG3 LYS A 75 -7.169 -0.694 -1.766 1.00 31.11 H new ATOM 0 HD2 LYS A 75 -5.140 0.608 -2.279 1.00 0.32 H new ATOM 0 HD3 LYS A 75 -4.167 -0.485 -1.314 1.00 0.32 H new ATOM 0 HE2 LYS A 75 -5.760 -1.354 -3.753 1.00 3.23 H new ATOM 0 HE3 LYS A 75 -4.075 -0.879 -3.812 1.00 3.23 H new ATOM 0 HZ1 LYS A 75 -4.225 -3.242 -3.664 1.00 35.44 H new ATOM 0 HZ2 LYS A 75 -3.590 -2.665 -2.199 1.00 35.44 H new ATOM 0 HZ3 LYS A 75 -5.211 -3.161 -2.285 1.00 35.44 H new ATOM 1228 N GLN A 76 -7.446 1.879 2.268 1.00 4.00 N ATOM 1229 CA GLN A 76 -7.263 2.554 3.551 1.00 53.14 C ATOM 1230 C GLN A 76 -8.511 2.448 4.427 1.00 5.14 C ATOM 1231 O GLN A 76 -8.433 2.612 5.646 1.00 52.44 O ATOM 1232 CB GLN A 76 -6.891 4.023 3.330 1.00 3.54 C ATOM 1233 CG GLN A 76 -5.511 4.215 2.719 1.00 50.44 C ATOM 1234 CD GLN A 76 -4.400 3.674 3.602 1.00 64.41 C ATOM 1235 OE1 GLN A 76 -4.511 3.665 4.829 1.00 71.33 O ATOM 1236 NE2 GLN A 76 -3.321 3.222 2.985 1.00 12.34 N ATOM 0 H GLN A 76 -7.402 2.500 1.460 1.00 4.00 H new ATOM 0 HA GLN A 76 -6.448 2.055 4.075 1.00 53.14 H new ATOM 0 HB2 GLN A 76 -7.635 4.484 2.680 1.00 3.54 H new ATOM 0 HB3 GLN A 76 -6.933 4.548 4.284 1.00 3.54 H new ATOM 0 HG2 GLN A 76 -5.475 3.717 1.750 1.00 50.44 H new ATOM 0 HG3 GLN A 76 -5.342 5.277 2.539 1.00 50.44 H new ATOM 0 HE21 GLN A 76 -3.268 3.247 1.967 1.00 12.34 H new ATOM 0 HE22 GLN A 76 -2.542 2.849 3.527 1.00 12.34 H new ATOM 1245 N ARG A 77 -9.651 2.172 3.804 1.00 10.10 N ATOM 1246 CA ARG A 77 -10.901 2.006 4.536 1.00 31.24 C ATOM 1247 C ARG A 77 -10.851 0.757 5.410 1.00 34.34 C ATOM 1248 O ARG A 77 -10.860 0.852 6.636 1.00 61.12 O ATOM 1249 CB ARG A 77 -12.079 1.927 3.568 1.00 41.13 C ATOM 1250 CG ARG A 77 -12.297 3.207 2.782 1.00 31.30 C ATOM 1251 CD ARG A 77 -12.775 4.333 3.681 1.00 1.45 C ATOM 1252 NE ARG A 77 -12.787 5.624 2.998 1.00 72.31 N ATOM 1253 CZ ARG A 77 -13.890 6.307 2.709 1.00 32.35 C ATOM 1254 NH1 ARG A 77 -15.087 5.775 2.938 1.00 11.23 N ATOM 1255 NH2 ARG A 77 -13.789 7.518 2.173 1.00 11.20 N ATOM 0 H ARG A 77 -9.735 2.058 2.794 1.00 10.10 H new ATOM 0 HA ARG A 77 -11.037 2.874 5.182 1.00 31.24 H new ATOM 0 HB2 ARG A 77 -11.914 1.105 2.872 1.00 41.13 H new ATOM 0 HB3 ARG A 77 -12.985 1.694 4.127 1.00 41.13 H new ATOM 0 HG2 ARG A 77 -11.367 3.499 2.293 1.00 31.30 H new ATOM 0 HG3 ARG A 77 -13.030 3.032 1.994 1.00 31.30 H new ATOM 0 HD2 ARG A 77 -13.779 4.106 4.041 1.00 1.45 H new ATOM 0 HD3 ARG A 77 -12.129 4.394 4.557 1.00 1.45 H new ATOM 0 HE ARG A 77 -11.891 6.028 2.725 1.00 72.31 H new ATOM 0 HH11 ARG A 77 -15.161 4.839 3.337 1.00 11.23 H new ATOM 0 HH12 ARG A 77 -15.931 6.303 2.715 1.00 11.23 H new ATOM 0 HH21 ARG A 77 -12.869 7.918 1.986 1.00 11.20 H new ATOM 0 HH22 ARG A 77 -14.631 8.048 1.948 1.00 11.20 H new ATOM 1269 N LEU A 78 -10.781 -0.419 4.786 1.00 34.33 N ATOM 1270 CA LEU A 78 -10.709 -1.660 5.557 1.00 14.24 C ATOM 1271 C LEU A 78 -9.403 -1.734 6.336 1.00 12.32 C ATOM 1272 O LEU A 78 -9.346 -2.342 7.404 1.00 34.22 O ATOM 1273 CB LEU A 78 -10.818 -2.898 4.671 1.00 31.11 C ATOM 1274 CG LEU A 78 -11.602 -2.729 3.376 1.00 3.45 C ATOM 1275 CD1 LEU A 78 -10.676 -2.377 2.227 1.00 43.54 C ATOM 1276 CD2 LEU A 78 -12.351 -3.998 3.062 1.00 62.02 C ATOM 0 H LEU A 78 -10.773 -0.539 3.773 1.00 34.33 H new ATOM 0 HA LEU A 78 -11.557 -1.647 6.242 1.00 14.24 H new ATOM 0 HB2 LEU A 78 -9.811 -3.231 4.421 1.00 31.11 H new ATOM 0 HB3 LEU A 78 -11.282 -3.695 5.251 1.00 31.11 H new ATOM 0 HG LEU A 78 -12.313 -1.913 3.507 1.00 3.45 H new ATOM 0 HD11 LEU A 78 -11.258 -2.261 1.313 1.00 43.54 H new ATOM 0 HD12 LEU A 78 -10.160 -1.443 2.449 1.00 43.54 H new ATOM 0 HD13 LEU A 78 -9.944 -3.173 2.093 1.00 43.54 H new ATOM 0 HD21 LEU A 78 -12.910 -3.871 2.135 1.00 62.02 H new ATOM 0 HD22 LEU A 78 -11.644 -4.820 2.950 1.00 62.02 H new ATOM 0 HD23 LEU A 78 -13.042 -4.223 3.874 1.00 62.02 H new ATOM 1288 N LEU A 79 -8.360 -1.119 5.787 1.00 33.41 N ATOM 1289 CA LEU A 79 -7.052 -1.086 6.430 1.00 73.14 C ATOM 1290 C LEU A 79 -7.180 -0.524 7.840 1.00 72.21 C ATOM 1291 O LEU A 79 -6.719 -1.129 8.802 1.00 32.33 O ATOM 1292 CB LEU A 79 -6.077 -0.259 5.570 1.00 13.13 C ATOM 1293 CG LEU A 79 -4.606 -0.209 6.015 1.00 31.40 C ATOM 1294 CD1 LEU A 79 -4.388 0.851 7.083 1.00 54.24 C ATOM 1295 CD2 LEU A 79 -4.145 -1.572 6.514 1.00 32.43 C ATOM 0 H LEU A 79 -8.397 -0.633 4.891 1.00 33.41 H new ATOM 0 HA LEU A 79 -6.653 -2.097 6.514 1.00 73.14 H new ATOM 0 HB2 LEU A 79 -6.108 -0.652 4.554 1.00 13.13 H new ATOM 0 HB3 LEU A 79 -6.451 0.764 5.527 1.00 13.13 H new ATOM 0 HG LEU A 79 -4.007 0.061 5.146 1.00 31.40 H new ATOM 0 HD11 LEU A 79 -3.338 0.861 7.376 1.00 54.24 H new ATOM 0 HD12 LEU A 79 -4.664 1.828 6.687 1.00 54.24 H new ATOM 0 HD13 LEU A 79 -5.005 0.624 7.952 1.00 54.24 H new ATOM 0 HD21 LEU A 79 -3.102 -1.512 6.823 1.00 32.43 H new ATOM 0 HD22 LEU A 79 -4.758 -1.875 7.363 1.00 32.43 H new ATOM 0 HD23 LEU A 79 -4.245 -2.305 5.714 1.00 32.43 H new ATOM 1307 N LYS A 80 -7.847 0.610 7.964 1.00 10.11 N ATOM 1308 CA LYS A 80 -8.048 1.225 9.267 1.00 55.21 C ATOM 1309 C LYS A 80 -8.913 0.346 10.161 1.00 34.21 C ATOM 1310 O LYS A 80 -8.754 0.344 11.379 1.00 3.33 O ATOM 1311 CB LYS A 80 -8.680 2.608 9.122 1.00 0.15 C ATOM 1312 CG LYS A 80 -7.686 3.750 9.262 1.00 33.33 C ATOM 1313 CD LYS A 80 -7.099 3.825 10.666 1.00 40.30 C ATOM 1314 CE LYS A 80 -8.189 3.947 11.721 1.00 20.34 C ATOM 1315 NZ LYS A 80 -7.643 4.281 13.063 1.00 44.14 N ATOM 0 H LYS A 80 -8.257 1.123 7.183 1.00 10.11 H new ATOM 0 HA LYS A 80 -7.070 1.334 9.735 1.00 55.21 H new ATOM 0 HB2 LYS A 80 -9.164 2.676 8.148 1.00 0.15 H new ATOM 0 HB3 LYS A 80 -9.460 2.722 9.875 1.00 0.15 H new ATOM 0 HG2 LYS A 80 -6.881 3.621 8.539 1.00 33.33 H new ATOM 0 HG3 LYS A 80 -8.180 4.692 9.024 1.00 33.33 H new ATOM 0 HD2 LYS A 80 -6.502 2.934 10.860 1.00 40.30 H new ATOM 0 HD3 LYS A 80 -6.427 4.680 10.735 1.00 40.30 H new ATOM 0 HE2 LYS A 80 -8.899 4.717 11.419 1.00 20.34 H new ATOM 0 HE3 LYS A 80 -8.741 3.009 11.779 1.00 20.34 H new ATOM 0 HZ1 LYS A 80 -8.423 4.353 13.747 1.00 44.14 H new ATOM 0 HZ2 LYS A 80 -6.985 3.535 13.366 1.00 44.14 H new ATOM 0 HZ3 LYS A 80 -7.138 5.189 13.016 1.00 44.14 H new ATOM 1329 N LEU A 81 -9.808 -0.414 9.552 1.00 15.11 N ATOM 1330 CA LEU A 81 -10.702 -1.281 10.296 1.00 21.32 C ATOM 1331 C LEU A 81 -9.949 -2.440 10.933 1.00 51.41 C ATOM 1332 O LEU A 81 -10.268 -2.845 12.044 1.00 72.13 O ATOM 1333 CB LEU A 81 -11.826 -1.780 9.386 1.00 25.11 C ATOM 1334 CG LEU A 81 -13.098 -0.926 9.407 1.00 50.32 C ATOM 1335 CD1 LEU A 81 -12.777 0.550 9.307 1.00 12.15 C ATOM 1336 CD2 LEU A 81 -14.034 -1.326 8.283 1.00 71.31 C ATOM 0 H LEU A 81 -9.934 -0.447 8.540 1.00 15.11 H new ATOM 0 HA LEU A 81 -11.145 -0.704 11.108 1.00 21.32 H new ATOM 0 HB2 LEU A 81 -11.453 -1.825 8.363 1.00 25.11 H new ATOM 0 HB3 LEU A 81 -12.084 -2.798 9.676 1.00 25.11 H new ATOM 0 HG LEU A 81 -13.592 -1.105 10.362 1.00 50.32 H new ATOM 0 HD11 LEU A 81 -13.702 1.126 9.325 1.00 12.15 H new ATOM 0 HD12 LEU A 81 -12.151 0.844 10.149 1.00 12.15 H new ATOM 0 HD13 LEU A 81 -12.247 0.745 8.375 1.00 12.15 H new ATOM 0 HD21 LEU A 81 -14.930 -0.706 8.318 1.00 71.31 H new ATOM 0 HD22 LEU A 81 -13.533 -1.186 7.325 1.00 71.31 H new ATOM 0 HD23 LEU A 81 -14.313 -2.374 8.397 1.00 71.31 H new ATOM 1348 N LEU A 82 -8.934 -2.956 10.253 1.00 2.11 N ATOM 1349 CA LEU A 82 -8.147 -4.053 10.803 1.00 73.23 C ATOM 1350 C LEU A 82 -7.019 -3.536 11.698 1.00 1.21 C ATOM 1351 O LEU A 82 -6.528 -4.256 12.568 1.00 61.42 O ATOM 1352 CB LEU A 82 -7.602 -4.947 9.685 1.00 32.34 C ATOM 1353 CG LEU A 82 -6.858 -4.232 8.558 1.00 3.32 C ATOM 1354 CD1 LEU A 82 -5.350 -4.347 8.726 1.00 62.13 C ATOM 1355 CD2 LEU A 82 -7.290 -4.794 7.221 1.00 71.23 C ATOM 0 H LEU A 82 -8.638 -2.638 9.330 1.00 2.11 H new ATOM 0 HA LEU A 82 -8.807 -4.657 11.426 1.00 73.23 H new ATOM 0 HB2 LEU A 82 -6.930 -5.681 10.129 1.00 32.34 H new ATOM 0 HB3 LEU A 82 -8.435 -5.500 9.250 1.00 32.34 H new ATOM 0 HG LEU A 82 -7.111 -3.173 8.599 1.00 3.32 H new ATOM 0 HD11 LEU A 82 -4.852 -3.827 7.907 1.00 62.13 H new ATOM 0 HD12 LEU A 82 -5.054 -3.898 9.674 1.00 62.13 H new ATOM 0 HD13 LEU A 82 -5.062 -5.398 8.717 1.00 62.13 H new ATOM 0 HD21 LEU A 82 -6.757 -4.281 6.421 1.00 71.23 H new ATOM 0 HD22 LEU A 82 -7.063 -5.859 7.184 1.00 71.23 H new ATOM 0 HD23 LEU A 82 -8.363 -4.647 7.094 1.00 71.23 H new ATOM 1367 N GLU A 83 -6.620 -2.286 11.497 1.00 11.55 N ATOM 1368 CA GLU A 83 -5.606 -1.665 12.348 1.00 51.54 C ATOM 1369 C GLU A 83 -6.222 -1.225 13.673 1.00 30.42 C ATOM 1370 O GLU A 83 -5.621 -1.372 14.737 1.00 51.51 O ATOM 1371 CB GLU A 83 -4.984 -0.454 11.649 1.00 52.23 C ATOM 1372 CG GLU A 83 -4.226 -0.790 10.375 1.00 54.41 C ATOM 1373 CD GLU A 83 -2.898 -1.474 10.626 1.00 52.55 C ATOM 1374 OE1 GLU A 83 -2.886 -2.692 10.888 1.00 34.40 O ATOM 1375 OE2 GLU A 83 -1.852 -0.798 10.533 1.00 13.00 O ATOM 0 H GLU A 83 -6.979 -1.683 10.757 1.00 11.55 H new ATOM 0 HA GLU A 83 -4.827 -2.403 12.540 1.00 51.54 H new ATOM 0 HB2 GLU A 83 -5.773 0.259 11.411 1.00 52.23 H new ATOM 0 HB3 GLU A 83 -4.305 0.042 12.342 1.00 52.23 H new ATOM 0 HG2 GLU A 83 -4.846 -1.435 9.752 1.00 54.41 H new ATOM 0 HG3 GLU A 83 -4.053 0.127 9.812 1.00 54.41 H new ATOM 1382 N ASP A 84 -7.428 -0.684 13.593 1.00 75.10 N ATOM 1383 CA ASP A 84 -8.127 -0.163 14.763 1.00 41.53 C ATOM 1384 C ASP A 84 -9.008 -1.238 15.379 1.00 30.04 C ATOM 1385 O ASP A 84 -9.447 -1.118 16.524 1.00 62.54 O ATOM 1386 CB ASP A 84 -8.985 1.037 14.362 1.00 33.53 C ATOM 1387 CG ASP A 84 -9.550 1.778 15.553 1.00 45.13 C ATOM 1388 OD1 ASP A 84 -8.876 2.709 16.046 1.00 22.13 O ATOM 1389 OD2 ASP A 84 -10.668 1.445 15.995 1.00 31.12 O ATOM 0 H ASP A 84 -7.950 -0.593 12.721 1.00 75.10 H new ATOM 0 HA ASP A 84 -7.387 0.149 15.500 1.00 41.53 H new ATOM 0 HB2 ASP A 84 -8.385 1.723 13.764 1.00 33.53 H new ATOM 0 HB3 ASP A 84 -9.805 0.696 13.729 1.00 33.53 H new ATOM 1394 N LYS A 85 -9.253 -2.288 14.598 1.00 35.43 N ATOM 1395 CA LYS A 85 -10.113 -3.393 15.005 1.00 42.44 C ATOM 1396 C LYS A 85 -11.550 -2.925 15.188 1.00 73.22 C ATOM 1397 O LYS A 85 -12.223 -3.282 16.155 1.00 35.00 O ATOM 1398 CB LYS A 85 -9.568 -4.066 16.266 1.00 63.10 C ATOM 1399 CG LYS A 85 -8.221 -4.729 16.033 1.00 74.05 C ATOM 1400 CD LYS A 85 -8.321 -5.803 14.960 1.00 13.04 C ATOM 1401 CE LYS A 85 -7.001 -6.529 14.749 1.00 61.23 C ATOM 1402 NZ LYS A 85 -6.617 -7.353 15.923 1.00 63.33 N ATOM 0 H LYS A 85 -8.859 -2.395 13.663 1.00 35.43 H new ATOM 0 HA LYS A 85 -10.116 -4.139 14.211 1.00 42.44 H new ATOM 0 HB2 LYS A 85 -9.472 -3.324 17.058 1.00 63.10 H new ATOM 0 HB3 LYS A 85 -10.282 -4.813 16.614 1.00 63.10 H new ATOM 0 HG2 LYS A 85 -7.489 -3.979 15.735 1.00 74.05 H new ATOM 0 HG3 LYS A 85 -7.863 -5.171 16.963 1.00 74.05 H new ATOM 0 HD2 LYS A 85 -9.089 -6.524 15.240 1.00 13.04 H new ATOM 0 HD3 LYS A 85 -8.638 -5.348 14.021 1.00 13.04 H new ATOM 0 HE2 LYS A 85 -7.077 -7.168 13.869 1.00 61.23 H new ATOM 0 HE3 LYS A 85 -6.216 -5.800 14.547 1.00 61.23 H new ATOM 0 HZ1 LYS A 85 -5.797 -7.944 15.679 1.00 63.33 H new ATOM 0 HZ2 LYS A 85 -6.370 -6.730 16.718 1.00 63.33 H new ATOM 0 HZ3 LYS A 85 -7.415 -7.962 16.195 1.00 63.33 H new ATOM 1416 N SER A 86 -12.011 -2.136 14.227 1.00 4.20 N ATOM 1417 CA SER A 86 -13.379 -1.655 14.208 1.00 71.41 C ATOM 1418 C SER A 86 -14.307 -2.743 13.666 1.00 51.44 C ATOM 1419 O SER A 86 -14.008 -3.375 12.649 1.00 13.01 O ATOM 1420 CB SER A 86 -13.468 -0.393 13.348 1.00 70.52 C ATOM 1421 OG SER A 86 -12.485 0.555 13.738 1.00 2.15 O ATOM 0 H SER A 86 -11.446 -1.814 13.442 1.00 4.20 H new ATOM 0 HA SER A 86 -13.692 -1.410 15.223 1.00 71.41 H new ATOM 0 HB2 SER A 86 -13.332 -0.653 12.298 1.00 70.52 H new ATOM 0 HB3 SER A 86 -14.461 0.047 13.442 1.00 70.52 H new ATOM 0 HG SER A 86 -12.227 0.394 14.670 1.00 2.15 H new ATOM 1427 N ASN A 87 -15.437 -2.944 14.335 1.00 24.31 N ATOM 1428 CA ASN A 87 -16.351 -4.045 14.012 1.00 42.34 C ATOM 1429 C ASN A 87 -17.012 -3.883 12.645 1.00 32.43 C ATOM 1430 O ASN A 87 -17.754 -4.759 12.210 1.00 24.01 O ATOM 1431 CB ASN A 87 -17.444 -4.166 15.076 1.00 63.43 C ATOM 1432 CG ASN A 87 -18.422 -3.002 15.058 1.00 2.10 C ATOM 1433 OD1 ASN A 87 -18.192 -1.971 15.687 1.00 72.34 O ATOM 1434 ND2 ASN A 87 -19.531 -3.166 14.351 1.00 0.24 N ATOM 0 H ASN A 87 -15.747 -2.358 15.110 1.00 24.31 H new ATOM 0 HA ASN A 87 -15.742 -4.949 13.988 1.00 42.34 H new ATOM 0 HB2 ASN A 87 -17.992 -5.096 14.922 1.00 63.43 H new ATOM 0 HB3 ASN A 87 -16.980 -4.228 16.060 1.00 63.43 H new ATOM 0 HD21 ASN A 87 -20.228 -2.422 14.316 1.00 0.24 H new ATOM 0 HD22 ASN A 87 -19.687 -4.036 13.842 1.00 0.24 H new ATOM 1441 N LEU A 88 -16.747 -2.778 11.971 1.00 54.53 N ATOM 1442 CA LEU A 88 -17.385 -2.508 10.691 1.00 60.22 C ATOM 1443 C LEU A 88 -16.993 -3.550 9.649 1.00 24.52 C ATOM 1444 O LEU A 88 -17.831 -3.999 8.870 1.00 10.32 O ATOM 1445 CB LEU A 88 -17.057 -1.096 10.195 1.00 35.11 C ATOM 1446 CG LEU A 88 -17.673 0.043 11.017 1.00 42.24 C ATOM 1447 CD1 LEU A 88 -19.124 -0.275 11.352 1.00 41.15 C ATOM 1448 CD2 LEU A 88 -16.868 0.303 12.284 1.00 62.30 C ATOM 0 H LEU A 88 -16.099 -2.056 12.285 1.00 54.53 H new ATOM 0 HA LEU A 88 -18.463 -2.571 10.842 1.00 60.22 H new ATOM 0 HB2 LEU A 88 -15.974 -0.973 10.188 1.00 35.11 H new ATOM 0 HB3 LEU A 88 -17.396 -1.003 9.163 1.00 35.11 H new ATOM 0 HG LEU A 88 -17.646 0.952 10.416 1.00 42.24 H new ATOM 0 HD11 LEU A 88 -19.550 0.541 11.936 1.00 41.15 H new ATOM 0 HD12 LEU A 88 -19.692 -0.397 10.430 1.00 41.15 H new ATOM 0 HD13 LEU A 88 -19.170 -1.197 11.931 1.00 41.15 H new ATOM 0 HD21 LEU A 88 -17.328 1.115 12.847 1.00 62.30 H new ATOM 0 HD22 LEU A 88 -16.852 -0.599 12.896 1.00 62.30 H new ATOM 0 HD23 LEU A 88 -15.848 0.579 12.017 1.00 62.30 H new ATOM 1460 N LEU A 89 -15.727 -3.948 9.635 1.00 5.22 N ATOM 1461 CA LEU A 89 -15.299 -5.012 8.733 1.00 4.43 C ATOM 1462 C LEU A 89 -15.138 -6.329 9.490 1.00 22.45 C ATOM 1463 O LEU A 89 -15.049 -7.401 8.900 1.00 34.34 O ATOM 1464 CB LEU A 89 -13.986 -4.641 8.038 1.00 53.00 C ATOM 1465 CG LEU A 89 -13.358 -5.758 7.218 1.00 3.54 C ATOM 1466 CD1 LEU A 89 -14.007 -5.864 5.854 1.00 61.02 C ATOM 1467 CD2 LEU A 89 -11.862 -5.551 7.118 1.00 63.32 C ATOM 0 H LEU A 89 -14.991 -3.560 10.225 1.00 5.22 H new ATOM 0 HA LEU A 89 -16.070 -5.138 7.973 1.00 4.43 H new ATOM 0 HB2 LEU A 89 -14.166 -3.787 7.385 1.00 53.00 H new ATOM 0 HB3 LEU A 89 -13.270 -4.318 8.794 1.00 53.00 H new ATOM 0 HG LEU A 89 -13.532 -6.707 7.725 1.00 3.54 H new ATOM 0 HD11 LEU A 89 -13.538 -6.670 5.290 1.00 61.02 H new ATOM 0 HD12 LEU A 89 -15.070 -6.074 5.972 1.00 61.02 H new ATOM 0 HD13 LEU A 89 -13.880 -4.924 5.317 1.00 61.02 H new ATOM 0 HD21 LEU A 89 -11.422 -6.356 6.529 1.00 63.32 H new ATOM 0 HD22 LEU A 89 -11.658 -4.595 6.635 1.00 63.32 H new ATOM 0 HD23 LEU A 89 -11.427 -5.553 8.117 1.00 63.32 H new ATOM 1479 N LEU A 90 -15.126 -6.244 10.800 1.00 74.24 N ATOM 1480 CA LEU A 90 -14.778 -7.390 11.632 1.00 35.00 C ATOM 1481 C LEU A 90 -15.955 -7.896 12.471 1.00 34.43 C ATOM 1482 O LEU A 90 -15.751 -8.583 13.472 1.00 42.45 O ATOM 1483 CB LEU A 90 -13.624 -6.990 12.543 1.00 13.32 C ATOM 1484 CG LEU A 90 -12.478 -6.281 11.823 1.00 54.32 C ATOM 1485 CD1 LEU A 90 -11.600 -5.559 12.816 1.00 75.44 C ATOM 1486 CD2 LEU A 90 -11.658 -7.262 11.000 1.00 74.32 C ATOM 0 H LEU A 90 -15.352 -5.396 11.320 1.00 74.24 H new ATOM 0 HA LEU A 90 -14.492 -8.211 10.974 1.00 35.00 H new ATOM 0 HB2 LEU A 90 -14.005 -6.337 13.328 1.00 13.32 H new ATOM 0 HB3 LEU A 90 -13.235 -7.883 13.032 1.00 13.32 H new ATOM 0 HG LEU A 90 -12.909 -5.548 11.140 1.00 54.32 H new ATOM 0 HD11 LEU A 90 -10.788 -5.059 12.288 1.00 75.44 H new ATOM 0 HD12 LEU A 90 -12.192 -4.819 13.355 1.00 75.44 H new ATOM 0 HD13 LEU A 90 -11.185 -6.277 13.524 1.00 75.44 H new ATOM 0 HD21 LEU A 90 -10.850 -6.730 10.499 1.00 74.32 H new ATOM 0 HD22 LEU A 90 -11.238 -8.025 11.655 1.00 74.32 H new ATOM 0 HD23 LEU A 90 -12.297 -7.735 10.255 1.00 74.32 H new ATOM 1498 N TYR A 91 -17.179 -7.575 12.064 1.00 33.30 N ATOM 1499 CA TYR A 91 -18.359 -8.031 12.799 1.00 12.31 C ATOM 1500 C TYR A 91 -18.568 -9.537 12.650 1.00 12.00 C ATOM 1501 O TYR A 91 -18.054 -10.164 11.714 1.00 13.11 O ATOM 1502 CB TYR A 91 -19.620 -7.291 12.336 1.00 23.43 C ATOM 1503 CG TYR A 91 -20.037 -7.588 10.910 1.00 50.13 C ATOM 1504 CD1 TYR A 91 -20.706 -8.766 10.584 1.00 22.43 C ATOM 1505 CD2 TYR A 91 -19.765 -6.687 9.889 1.00 25.20 C ATOM 1506 CE1 TYR A 91 -21.091 -9.032 9.290 1.00 13.12 C ATOM 1507 CE2 TYR A 91 -20.151 -6.947 8.588 1.00 45.10 C ATOM 1508 CZ TYR A 91 -20.813 -8.123 8.295 1.00 21.40 C ATOM 1509 OH TYR A 91 -21.199 -8.398 7.003 1.00 4.13 O ATOM 0 H TYR A 91 -17.381 -7.008 11.240 1.00 33.30 H new ATOM 0 HA TYR A 91 -18.181 -7.808 13.851 1.00 12.31 H new ATOM 0 HB2 TYR A 91 -20.443 -7.550 13.003 1.00 23.43 H new ATOM 0 HB3 TYR A 91 -19.454 -6.218 12.436 1.00 23.43 H new ATOM 0 HD1 TYR A 91 -20.926 -9.483 11.361 1.00 22.43 H new ATOM 0 HD2 TYR A 91 -19.244 -5.769 10.115 1.00 25.20 H new ATOM 0 HE1 TYR A 91 -21.609 -9.950 9.056 1.00 13.12 H new ATOM 0 HE2 TYR A 91 -19.936 -6.235 7.805 1.00 45.10 H new ATOM 0 HH TYR A 91 -21.681 -7.628 6.635 1.00 4.13 H new ATOM 1519 N SER A 92 -19.342 -10.102 13.565 1.00 43.03 N ATOM 1520 CA SER A 92 -19.679 -11.513 13.526 1.00 32.01 C ATOM 1521 C SER A 92 -20.886 -11.747 12.610 1.00 74.44 C ATOM 1522 O SER A 92 -21.773 -10.900 12.505 1.00 54.24 O ATOM 1523 CB SER A 92 -19.976 -12.010 14.942 1.00 62.24 C ATOM 1524 OG SER A 92 -18.937 -11.637 15.837 1.00 50.15 O ATOM 0 H SER A 92 -19.751 -9.596 14.351 1.00 43.03 H new ATOM 0 HA SER A 92 -18.833 -12.072 13.125 1.00 32.01 H new ATOM 0 HB2 SER A 92 -20.924 -11.596 15.286 1.00 62.24 H new ATOM 0 HB3 SER A 92 -20.085 -13.095 14.936 1.00 62.24 H new ATOM 0 HG SER A 92 -19.148 -11.963 16.737 1.00 50.15 H new ATOM 1530 N CYS A 93 -20.908 -12.895 11.951 1.00 43.40 N ATOM 1531 CA CYS A 93 -21.947 -13.216 10.975 1.00 24.13 C ATOM 1532 C CYS A 93 -22.215 -14.713 10.952 1.00 23.24 C ATOM 1533 O CYS A 93 -21.573 -15.471 11.676 1.00 20.24 O ATOM 1534 CB CYS A 93 -21.485 -12.803 9.592 1.00 43.40 C ATOM 1535 SG CYS A 93 -20.245 -13.948 8.915 1.00 24.34 S ATOM 0 H CYS A 93 -20.211 -13.630 12.074 1.00 43.40 H new ATOM 0 HA CYS A 93 -22.856 -12.684 11.256 1.00 24.13 H new ATOM 0 HB2 CYS A 93 -22.343 -12.761 8.921 1.00 43.40 H new ATOM 0 HB3 CYS A 93 -21.065 -11.798 9.636 1.00 43.40 H new ATOM 0 HG CYS A 93 -19.557 -13.346 7.991 1.00 24.34 H new ATOM 1540 N ASN A 94 -23.127 -15.134 10.084 1.00 63.33 N ATOM 1541 CA ASN A 94 -23.422 -16.546 9.909 1.00 62.20 C ATOM 1542 C ASN A 94 -22.900 -17.048 8.562 1.00 64.40 C ATOM 1543 O ASN A 94 -23.647 -17.143 7.592 1.00 63.52 O ATOM 1544 CB ASN A 94 -24.934 -16.796 10.017 1.00 64.31 C ATOM 1545 CG ASN A 94 -25.303 -18.264 9.875 1.00 24.53 C ATOM 1546 OD1 ASN A 94 -25.569 -18.754 8.778 1.00 12.13 O ATOM 1547 ND2 ASN A 94 -25.335 -18.972 10.988 1.00 63.11 N ATOM 0 H ASN A 94 -23.676 -14.513 9.489 1.00 63.33 H new ATOM 0 HA ASN A 94 -22.917 -17.098 10.702 1.00 62.20 H new ATOM 0 HB2 ASN A 94 -25.290 -16.429 10.980 1.00 64.31 H new ATOM 0 HB3 ASN A 94 -25.448 -16.221 9.247 1.00 64.31 H new ATOM 0 HD21 ASN A 94 -25.587 -19.960 10.957 1.00 63.11 H new ATOM 0 HD22 ASN A 94 -25.108 -18.531 11.879 1.00 63.11 H new ATOM 1554 N CYS A 95 -21.595 -17.282 8.470 1.00 2.13 N ATOM 1555 CA CYS A 95 -21.058 -18.033 7.333 1.00 33.12 C ATOM 1556 C CYS A 95 -20.746 -19.473 7.728 1.00 24.21 C ATOM 1557 O CYS A 95 -20.741 -20.369 6.886 1.00 44.42 O ATOM 1558 CB CYS A 95 -19.809 -17.375 6.753 1.00 65.34 C ATOM 1559 SG CYS A 95 -20.146 -15.957 5.664 1.00 71.32 S ATOM 0 H CYS A 95 -20.901 -16.972 9.150 1.00 2.13 H new ATOM 0 HA CYS A 95 -21.829 -18.033 6.563 1.00 33.12 H new ATOM 0 HB2 CYS A 95 -19.172 -17.044 7.574 1.00 65.34 H new ATOM 0 HB3 CYS A 95 -19.246 -18.122 6.194 1.00 65.34 H new ATOM 0 HG CYS A 95 -19.301 -15.003 5.920 1.00 71.32 H new