USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 523 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 Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 165:sc= 0 USER MOD Single : A 8 THR OG1 : rot 173:sc= -1.94 USER MOD Single : A 13 GLN : amide:sc= -1.2 K(o=-1.2,f=-1.8!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -4.7! K(o=-4.7!,f=-2.2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -167:sc= 1.25 USER MOD Single : A 26 HIS : no HD1:sc= -3.31 K(o=-3.3,f=-2.4) USER MOD Single : A 27 HIS : no HD1:sc= -6.49 K(o=-6.5,f=-5.3!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 40:sc= 1.2 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HE2:sc= 1.12 K(o=1.1,f=-6.6!) USER MOD Single : A 71 SER OG : rot -176:sc= -2.04 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 51:sc= 1.58 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.832 K(o=-0.83,f=-5!) USER MOD Single : A 85 SER OG : rot 79:sc= 0.884 USER MOD Single : A 86 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0952) USER MOD ----------------------------------------------------------------- ATOM 35 N ASP A 3 -7.221 -0.060 15.068 1.00 0.00 N ATOM 36 CA ASP A 3 -6.234 -0.617 14.094 1.00 0.00 C ATOM 37 C ASP A 3 -6.800 -0.552 12.672 1.00 0.00 C ATOM 38 O ASP A 3 -7.952 -0.863 12.440 1.00 0.00 O ATOM 39 CB ASP A 3 -6.029 -2.069 14.524 1.00 0.00 C ATOM 40 CG ASP A 3 -4.570 -2.469 14.296 1.00 0.00 C ATOM 41 OD1 ASP A 3 -4.030 -2.098 13.267 1.00 0.00 O ATOM 42 OD2 ASP A 3 -4.019 -3.140 15.154 1.00 0.00 O ATOM 0 HA ASP A 3 -5.298 -0.058 14.089 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.289 -2.188 15.576 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.690 -2.724 13.956 1.00 0.00 H new ATOM 47 N VAL A 4 -5.982 -0.188 11.713 1.00 0.00 N ATOM 48 CA VAL A 4 -6.439 -0.141 10.286 1.00 0.00 C ATOM 49 C VAL A 4 -7.704 0.722 10.150 1.00 0.00 C ATOM 50 O VAL A 4 -8.806 0.268 10.395 1.00 0.00 O ATOM 51 CB VAL A 4 -6.718 -1.604 9.898 1.00 0.00 C ATOM 52 CG1 VAL A 4 -7.321 -1.677 8.492 1.00 0.00 C ATOM 53 CG2 VAL A 4 -5.403 -2.385 9.913 1.00 0.00 C ATOM 0 H VAL A 4 -5.009 0.081 11.859 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.691 0.309 9.632 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.422 -2.031 10.612 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.513 -2.718 8.232 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.257 -1.119 8.468 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.623 -1.246 7.774 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.593 -3.423 9.639 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.709 -1.942 9.199 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.969 -2.347 10.912 1.00 0.00 H new ATOM 63 N LYS A 5 -7.552 1.933 9.676 1.00 0.00 N ATOM 64 CA LYS A 5 -8.740 2.798 9.421 1.00 0.00 C ATOM 65 C LYS A 5 -9.319 2.489 8.036 1.00 0.00 C ATOM 66 O LYS A 5 -9.116 1.416 7.501 1.00 0.00 O ATOM 67 CB LYS A 5 -8.205 4.231 9.480 1.00 0.00 C ATOM 68 CG LYS A 5 -9.267 5.149 10.087 1.00 0.00 C ATOM 69 CD LYS A 5 -9.158 6.540 9.460 1.00 0.00 C ATOM 70 CE LYS A 5 -9.539 7.600 10.497 1.00 0.00 C ATOM 71 NZ LYS A 5 -10.986 7.864 10.262 1.00 0.00 N ATOM 0 H LYS A 5 -6.652 2.360 9.454 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.540 2.637 10.144 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.294 4.266 10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.942 4.574 8.479 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.261 4.737 9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.133 5.214 11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.142 6.712 9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.815 6.612 8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.362 7.242 11.511 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.947 8.506 10.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.322 8.582 10.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.122 8.210 9.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.525 6.985 10.395 1.00 0.00 H new ATOM 85 N TYR A 6 -9.997 3.435 7.434 1.00 0.00 N ATOM 86 CA TYR A 6 -10.540 3.213 6.061 1.00 0.00 C ATOM 87 C TYR A 6 -10.124 4.358 5.133 1.00 0.00 C ATOM 88 O TYR A 6 -10.837 5.331 4.977 1.00 0.00 O ATOM 89 CB TYR A 6 -12.059 3.186 6.235 1.00 0.00 C ATOM 90 CG TYR A 6 -12.504 1.772 6.523 1.00 0.00 C ATOM 91 CD1 TYR A 6 -12.184 0.742 5.630 1.00 0.00 C ATOM 92 CD2 TYR A 6 -13.236 1.491 7.683 1.00 0.00 C ATOM 93 CE1 TYR A 6 -12.595 -0.570 5.899 1.00 0.00 C ATOM 94 CE2 TYR A 6 -13.646 0.180 7.951 1.00 0.00 C ATOM 95 CZ TYR A 6 -13.326 -0.851 7.059 1.00 0.00 C ATOM 96 OH TYR A 6 -13.731 -2.143 7.323 1.00 0.00 O ATOM 0 H TYR A 6 -10.197 4.351 7.835 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.165 2.293 5.613 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.355 3.846 7.051 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.546 3.556 5.333 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.621 0.959 4.734 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.484 2.286 8.371 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -12.348 -1.365 5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.210 -0.037 8.846 1.00 0.00 H new ATOM 0 HH TYR A 6 -14.227 -2.164 8.168 1.00 0.00 H new ATOM 106 N TYR A 7 -8.997 4.221 4.481 1.00 0.00 N ATOM 107 CA TYR A 7 -8.553 5.271 3.514 1.00 0.00 C ATOM 108 C TYR A 7 -9.379 5.183 2.228 1.00 0.00 C ATOM 109 O TYR A 7 -9.609 4.112 1.702 1.00 0.00 O ATOM 110 CB TYR A 7 -7.082 4.960 3.231 1.00 0.00 C ATOM 111 CG TYR A 7 -6.240 5.386 4.409 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.187 6.736 4.777 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.510 4.435 5.132 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.406 7.135 5.868 1.00 0.00 C ATOM 115 CE2 TYR A 7 -4.729 4.835 6.223 1.00 0.00 C ATOM 116 CZ TYR A 7 -4.677 6.184 6.590 1.00 0.00 C ATOM 117 OH TYR A 7 -3.906 6.578 7.666 1.00 0.00 O ATOM 0 H TYR A 7 -8.364 3.427 4.577 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.684 6.278 3.909 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.954 3.893 3.046 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -6.756 5.481 2.331 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.749 7.470 4.219 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.549 3.394 4.848 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.366 8.176 6.152 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.166 4.102 6.782 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.661 5.792 8.198 1.00 0.00 H new ATOM 127 N THR A 8 -9.801 6.308 1.707 1.00 0.00 N ATOM 128 CA THR A 8 -10.588 6.301 0.436 1.00 0.00 C ATOM 129 C THR A 8 -9.651 6.152 -0.766 1.00 0.00 C ATOM 130 O THR A 8 -8.452 6.315 -0.654 1.00 0.00 O ATOM 131 CB THR A 8 -11.297 7.656 0.400 1.00 0.00 C ATOM 132 OG1 THR A 8 -10.332 8.696 0.455 1.00 0.00 O ATOM 133 CG2 THR A 8 -12.244 7.770 1.594 1.00 0.00 C ATOM 0 H THR A 8 -9.634 7.231 2.107 1.00 0.00 H new ATOM 0 HA THR A 8 -11.294 5.471 0.392 1.00 0.00 H new ATOM 0 HB THR A 8 -11.870 7.742 -0.523 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.774 9.560 0.318 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.749 8.736 1.567 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.985 6.972 1.548 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.675 7.684 2.519 1.00 0.00 H new ATOM 141 N LEU A 9 -10.201 5.878 -1.922 1.00 0.00 N ATOM 142 CA LEU A 9 -9.359 5.756 -3.150 1.00 0.00 C ATOM 143 C LEU A 9 -8.970 7.144 -3.667 1.00 0.00 C ATOM 144 O LEU A 9 -7.924 7.320 -4.264 1.00 0.00 O ATOM 145 CB LEU A 9 -10.244 5.034 -4.168 1.00 0.00 C ATOM 146 CG LEU A 9 -9.369 4.234 -5.133 1.00 0.00 C ATOM 147 CD1 LEU A 9 -8.772 3.027 -4.406 1.00 0.00 C ATOM 148 CD2 LEU A 9 -10.221 3.750 -6.312 1.00 0.00 C ATOM 0 H LEU A 9 -11.200 5.733 -2.068 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.431 5.217 -2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.938 4.369 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.845 5.757 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.563 4.869 -5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.149 2.458 -5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.165 3.370 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.576 2.391 -4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.598 3.179 -7.001 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.027 3.117 -5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.644 4.609 -6.832 1.00 0.00 H new ATOM 160 N GLU A 10 -9.785 8.134 -3.409 1.00 0.00 N ATOM 161 CA GLU A 10 -9.449 9.523 -3.846 1.00 0.00 C ATOM 162 C GLU A 10 -8.390 10.129 -2.920 1.00 0.00 C ATOM 163 O GLU A 10 -7.589 10.947 -3.333 1.00 0.00 O ATOM 164 CB GLU A 10 -10.760 10.304 -3.744 1.00 0.00 C ATOM 165 CG GLU A 10 -11.659 9.952 -4.932 1.00 0.00 C ATOM 166 CD GLU A 10 -12.853 10.906 -4.968 1.00 0.00 C ATOM 167 OE1 GLU A 10 -13.542 11.001 -3.966 1.00 0.00 O ATOM 168 OE2 GLU A 10 -13.058 11.526 -5.999 1.00 0.00 O ATOM 0 H GLU A 10 -10.671 8.040 -2.913 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.040 9.547 -4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.266 10.065 -2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.557 11.375 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.095 10.023 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.005 8.922 -4.847 1.00 0.00 H new ATOM 175 N GLU A 11 -8.359 9.706 -1.681 1.00 0.00 N ATOM 176 CA GLU A 11 -7.326 10.221 -0.733 1.00 0.00 C ATOM 177 C GLU A 11 -5.991 9.509 -0.967 1.00 0.00 C ATOM 178 O GLU A 11 -4.934 10.103 -0.860 1.00 0.00 O ATOM 179 CB GLU A 11 -7.868 9.900 0.660 1.00 0.00 C ATOM 180 CG GLU A 11 -6.920 10.461 1.721 1.00 0.00 C ATOM 181 CD GLU A 11 -7.722 10.889 2.950 1.00 0.00 C ATOM 182 OE1 GLU A 11 -8.532 10.099 3.409 1.00 0.00 O ATOM 183 OE2 GLU A 11 -7.515 11.999 3.413 1.00 0.00 O ATOM 0 H GLU A 11 -9.006 9.025 -1.285 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.144 11.288 -0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.862 10.330 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.970 8.822 0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.183 9.708 1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.370 11.312 1.319 1.00 0.00 H new ATOM 190 N ILE A 12 -6.035 8.250 -1.325 1.00 0.00 N ATOM 191 CA ILE A 12 -4.773 7.503 -1.615 1.00 0.00 C ATOM 192 C ILE A 12 -4.272 7.849 -3.021 1.00 0.00 C ATOM 193 O ILE A 12 -3.083 7.852 -3.281 1.00 0.00 O ATOM 194 CB ILE A 12 -5.155 6.020 -1.524 1.00 0.00 C ATOM 195 CG1 ILE A 12 -5.683 5.711 -0.120 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.924 5.152 -1.801 1.00 0.00 C ATOM 197 CD1 ILE A 12 -6.399 4.360 -0.130 1.00 0.00 C ATOM 0 H ILE A 12 -6.892 7.707 -1.429 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.972 7.755 -0.920 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.927 5.804 -2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.859 5.693 0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.368 6.495 0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.199 4.099 -1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.545 5.367 -2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.151 5.372 -1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.775 4.140 0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.232 4.395 -0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.701 3.580 -0.435 1.00 0.00 H new ATOM 209 N GLN A 13 -5.169 8.179 -3.916 1.00 0.00 N ATOM 210 CA GLN A 13 -4.751 8.572 -5.298 1.00 0.00 C ATOM 211 C GLN A 13 -4.529 10.090 -5.395 1.00 0.00 C ATOM 212 O GLN A 13 -4.511 10.646 -6.476 1.00 0.00 O ATOM 213 CB GLN A 13 -5.912 8.145 -6.195 1.00 0.00 C ATOM 214 CG GLN A 13 -5.990 6.618 -6.238 1.00 0.00 C ATOM 215 CD GLN A 13 -7.087 6.189 -7.214 1.00 0.00 C ATOM 216 OE1 GLN A 13 -8.245 6.497 -7.017 1.00 0.00 O ATOM 217 NE2 GLN A 13 -6.768 5.486 -8.267 1.00 0.00 N ATOM 0 H GLN A 13 -6.175 8.193 -3.749 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.810 8.103 -5.586 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.848 8.557 -5.817 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.773 8.541 -7.201 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.031 6.203 -6.548 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.201 6.226 -5.243 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.795 5.228 -8.432 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.492 5.195 -8.925 1.00 0.00 H new ATOM 226 N LYS A 14 -4.325 10.755 -4.282 1.00 0.00 N ATOM 227 CA LYS A 14 -4.062 12.225 -4.322 1.00 0.00 C ATOM 228 C LYS A 14 -2.915 12.584 -3.374 1.00 0.00 C ATOM 229 O LYS A 14 -3.009 13.518 -2.600 1.00 0.00 O ATOM 230 CB LYS A 14 -5.366 12.873 -3.856 1.00 0.00 C ATOM 231 CG LYS A 14 -5.352 14.361 -4.210 1.00 0.00 C ATOM 232 CD LYS A 14 -5.418 14.526 -5.729 1.00 0.00 C ATOM 233 CE LYS A 14 -6.180 15.809 -6.072 1.00 0.00 C ATOM 234 NZ LYS A 14 -6.157 15.883 -7.559 1.00 0.00 N ATOM 0 H LYS A 14 -4.330 10.342 -3.350 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.770 12.565 -5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.217 12.384 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.483 12.746 -2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.198 14.865 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.447 14.829 -3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.411 14.566 -6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.914 13.665 -6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.202 15.775 -5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.704 16.682 -5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.661 16.737 -7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.172 15.921 -7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.623 15.042 -7.956 1.00 0.00 H new ATOM 248 N HIS A 15 -1.821 11.871 -3.459 1.00 0.00 N ATOM 249 CA HIS A 15 -0.644 12.189 -2.595 1.00 0.00 C ATOM 250 C HIS A 15 0.579 12.505 -3.464 1.00 0.00 C ATOM 251 O HIS A 15 1.571 11.802 -3.435 1.00 0.00 O ATOM 252 CB HIS A 15 -0.408 10.925 -1.767 1.00 0.00 C ATOM 253 CG HIS A 15 -1.201 11.005 -0.492 1.00 0.00 C ATOM 254 ND1 HIS A 15 -0.638 10.737 0.746 1.00 0.00 N ATOM 255 CD2 HIS A 15 -2.514 11.321 -0.247 1.00 0.00 C ATOM 256 CE1 HIS A 15 -1.602 10.895 1.672 1.00 0.00 C ATOM 257 NE2 HIS A 15 -2.765 11.252 1.120 1.00 0.00 N ATOM 0 H HIS A 15 -1.692 11.081 -4.091 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.816 13.061 -1.964 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.703 10.044 -2.337 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.653 10.818 -1.542 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.242 11.583 -1.001 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.453 10.751 2.732 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.647 11.435 1.598 1.00 0.00 H new ATOM 266 N LYS A 16 0.522 13.579 -4.210 1.00 0.00 N ATOM 267 CA LYS A 16 1.692 13.974 -5.056 1.00 0.00 C ATOM 268 C LYS A 16 2.853 14.443 -4.171 1.00 0.00 C ATOM 269 O LYS A 16 3.175 15.616 -4.124 1.00 0.00 O ATOM 270 CB LYS A 16 1.184 15.118 -5.944 1.00 0.00 C ATOM 271 CG LYS A 16 0.690 16.284 -5.073 1.00 0.00 C ATOM 272 CD LYS A 16 -0.631 16.824 -5.630 1.00 0.00 C ATOM 273 CE LYS A 16 -1.011 18.107 -4.889 1.00 0.00 C ATOM 274 NZ LYS A 16 -1.728 18.936 -5.898 1.00 0.00 N ATOM 0 H LYS A 16 -0.284 14.201 -4.271 1.00 0.00 H new ATOM 0 HA LYS A 16 2.068 13.142 -5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.982 15.459 -6.603 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.375 14.762 -6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.552 15.949 -4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.438 17.077 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.534 17.023 -6.697 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.418 16.079 -5.515 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.647 17.893 -4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.127 18.621 -4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.021 19.835 -5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.096 19.129 -6.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.568 18.424 -6.234 1.00 0.00 H new ATOM 288 N ASP A 17 3.508 13.527 -3.504 1.00 0.00 N ATOM 289 CA ASP A 17 4.679 13.902 -2.656 1.00 0.00 C ATOM 290 C ASP A 17 5.962 13.294 -3.228 1.00 0.00 C ATOM 291 O ASP A 17 5.920 12.411 -4.063 1.00 0.00 O ATOM 292 CB ASP A 17 4.375 13.315 -1.278 1.00 0.00 C ATOM 293 CG ASP A 17 4.915 14.249 -0.193 1.00 0.00 C ATOM 294 OD1 ASP A 17 5.968 14.826 -0.408 1.00 0.00 O ATOM 295 OD2 ASP A 17 4.265 14.373 0.832 1.00 0.00 O ATOM 0 H ASP A 17 3.281 12.533 -3.511 1.00 0.00 H new ATOM 0 HA ASP A 17 4.830 14.981 -2.614 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.300 13.183 -1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.830 12.329 -1.183 1.00 0.00 H new ATOM 300 N SER A 18 7.099 13.736 -2.755 1.00 0.00 N ATOM 301 CA SER A 18 8.392 13.159 -3.234 1.00 0.00 C ATOM 302 C SER A 18 9.082 12.394 -2.102 1.00 0.00 C ATOM 303 O SER A 18 9.728 11.388 -2.328 1.00 0.00 O ATOM 304 CB SER A 18 9.230 14.365 -3.654 1.00 0.00 C ATOM 305 OG SER A 18 10.589 13.970 -3.785 1.00 0.00 O ATOM 0 H SER A 18 7.188 14.473 -2.056 1.00 0.00 H new ATOM 0 HA SER A 18 8.252 12.454 -4.053 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.863 14.766 -4.599 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.140 15.160 -2.914 1.00 0.00 H new ATOM 0 HG SER A 18 11.129 14.741 -4.056 1.00 0.00 H new ATOM 311 N LYS A 19 8.916 12.843 -0.884 1.00 0.00 N ATOM 312 CA LYS A 19 9.524 12.124 0.276 1.00 0.00 C ATOM 313 C LYS A 19 8.516 11.149 0.900 1.00 0.00 C ATOM 314 O LYS A 19 8.690 10.705 2.020 1.00 0.00 O ATOM 315 CB LYS A 19 9.885 13.223 1.272 1.00 0.00 C ATOM 316 CG LYS A 19 10.664 12.619 2.441 1.00 0.00 C ATOM 317 CD LYS A 19 11.462 13.719 3.146 1.00 0.00 C ATOM 318 CE LYS A 19 12.776 13.139 3.675 1.00 0.00 C ATOM 319 NZ LYS A 19 12.985 13.801 4.992 1.00 0.00 N ATOM 0 H LYS A 19 8.384 13.679 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 19 10.390 11.532 -0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.483 13.991 0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.980 13.709 1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.978 12.146 3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.337 11.841 2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.666 14.536 2.453 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.879 14.136 3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.715 12.056 3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.601 13.345 2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.868 13.455 5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.046 14.830 4.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.187 13.581 5.622 1.00 0.00 H new ATOM 333 N SER A 20 7.488 10.785 0.175 1.00 0.00 N ATOM 334 CA SER A 20 6.495 9.807 0.710 1.00 0.00 C ATOM 335 C SER A 20 5.830 9.044 -0.438 1.00 0.00 C ATOM 336 O SER A 20 5.698 9.553 -1.536 1.00 0.00 O ATOM 337 CB SER A 20 5.466 10.656 1.456 1.00 0.00 C ATOM 338 OG SER A 20 4.497 9.803 2.053 1.00 0.00 O ATOM 0 H SER A 20 7.294 11.125 -0.767 1.00 0.00 H new ATOM 0 HA SER A 20 6.958 9.063 1.358 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.959 11.257 2.220 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.982 11.350 0.768 1.00 0.00 H new ATOM 0 HG SER A 20 3.836 10.344 2.534 1.00 0.00 H new ATOM 344 N THR A 21 5.379 7.843 -0.182 1.00 0.00 N ATOM 345 CA THR A 21 4.681 7.056 -1.244 1.00 0.00 C ATOM 346 C THR A 21 3.598 6.167 -0.623 1.00 0.00 C ATOM 347 O THR A 21 3.871 5.360 0.247 1.00 0.00 O ATOM 348 CB THR A 21 5.776 6.204 -1.899 1.00 0.00 C ATOM 349 OG1 THR A 21 5.199 5.404 -2.920 1.00 0.00 O ATOM 350 CG2 THR A 21 6.438 5.298 -0.854 1.00 0.00 C ATOM 0 H THR A 21 5.464 7.372 0.719 1.00 0.00 H new ATOM 0 HA THR A 21 4.181 7.698 -1.970 1.00 0.00 H new ATOM 0 HB THR A 21 6.532 6.862 -2.327 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.841 4.719 -3.201 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.213 4.698 -1.331 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.884 5.911 -0.071 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.688 4.639 -0.416 1.00 0.00 H new ATOM 358 N TRP A 22 2.385 6.276 -1.101 1.00 0.00 N ATOM 359 CA TRP A 22 1.289 5.404 -0.583 1.00 0.00 C ATOM 360 C TRP A 22 1.143 4.161 -1.466 1.00 0.00 C ATOM 361 O TRP A 22 0.268 4.089 -2.308 1.00 0.00 O ATOM 362 CB TRP A 22 0.027 6.265 -0.653 1.00 0.00 C ATOM 363 CG TRP A 22 -0.117 7.054 0.611 1.00 0.00 C ATOM 364 CD1 TRP A 22 0.874 7.758 1.208 1.00 0.00 C ATOM 365 CD2 TRP A 22 -1.302 7.235 1.439 1.00 0.00 C ATOM 366 NE1 TRP A 22 0.373 8.356 2.349 1.00 0.00 N ATOM 367 CE2 TRP A 22 -0.964 8.065 2.534 1.00 0.00 C ATOM 368 CE3 TRP A 22 -2.624 6.764 1.347 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -1.905 8.415 3.504 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -3.573 7.115 2.321 1.00 0.00 C ATOM 371 CH2 TRP A 22 -3.214 7.938 3.397 1.00 0.00 C ATOM 0 H TRP A 22 2.106 6.933 -1.830 1.00 0.00 H new ATOM 0 HA TRP A 22 1.484 5.053 0.430 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.081 6.938 -1.509 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.849 5.633 -0.800 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.890 7.839 0.851 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.924 8.941 2.978 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.911 6.129 0.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.623 9.050 4.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.586 6.748 2.240 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.949 8.203 4.143 1.00 0.00 H new ATOM 382 N VAL A 23 1.964 3.166 -1.243 1.00 0.00 N ATOM 383 CA VAL A 23 1.843 1.900 -2.027 1.00 0.00 C ATOM 384 C VAL A 23 0.708 1.045 -1.454 1.00 0.00 C ATOM 385 O VAL A 23 0.228 1.292 -0.366 1.00 0.00 O ATOM 386 CB VAL A 23 3.194 1.193 -1.859 1.00 0.00 C ATOM 387 CG1 VAL A 23 3.186 -0.130 -2.629 1.00 0.00 C ATOM 388 CG2 VAL A 23 4.313 2.084 -2.404 1.00 0.00 C ATOM 0 H VAL A 23 2.713 3.176 -0.551 1.00 0.00 H new ATOM 0 HA VAL A 23 1.613 2.079 -3.077 1.00 0.00 H new ATOM 0 HB VAL A 23 3.363 0.998 -0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.148 -0.628 -2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.394 -0.771 -2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.011 0.066 -3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.271 1.579 -2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.138 2.282 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.328 3.026 -1.856 1.00 0.00 H new ATOM 398 N ILE A 24 0.303 0.022 -2.163 1.00 0.00 N ATOM 399 CA ILE A 24 -0.772 -0.875 -1.643 1.00 0.00 C ATOM 400 C ILE A 24 -0.407 -2.338 -1.912 1.00 0.00 C ATOM 401 O ILE A 24 0.020 -2.688 -2.996 1.00 0.00 O ATOM 402 CB ILE A 24 -2.038 -0.483 -2.414 1.00 0.00 C ATOM 403 CG1 ILE A 24 -2.344 1.002 -2.182 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.222 -1.324 -1.924 1.00 0.00 C ATOM 405 CD1 ILE A 24 -1.747 1.830 -3.322 1.00 0.00 C ATOM 0 H ILE A 24 0.671 -0.231 -3.080 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.911 -0.771 -0.567 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.878 -0.662 -3.477 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.421 1.158 -2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.929 1.325 -1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.120 -1.043 -2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.011 -2.381 -2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.378 -1.147 -0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.964 2.885 -3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.668 1.682 -3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.183 1.513 -4.269 1.00 0.00 H new ATOM 417 N LEU A 25 -0.631 -3.199 -0.953 1.00 0.00 N ATOM 418 CA LEU A 25 -0.363 -4.653 -1.168 1.00 0.00 C ATOM 419 C LEU A 25 -1.623 -5.336 -1.707 1.00 0.00 C ATOM 420 O LEU A 25 -1.646 -5.832 -2.818 1.00 0.00 O ATOM 421 CB LEU A 25 -0.002 -5.202 0.219 1.00 0.00 C ATOM 422 CG LEU A 25 1.512 -5.449 0.320 1.00 0.00 C ATOM 423 CD1 LEU A 25 1.944 -6.493 -0.719 1.00 0.00 C ATOM 424 CD2 LEU A 25 2.271 -4.137 0.082 1.00 0.00 C ATOM 0 H LEU A 25 -0.989 -2.958 -0.029 1.00 0.00 H new ATOM 0 HA LEU A 25 0.434 -4.829 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.314 -4.496 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.542 -6.131 0.401 1.00 0.00 H new ATOM 0 HG LEU A 25 1.744 -5.822 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.018 -6.662 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.415 -7.429 -0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.706 -6.131 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.343 -4.319 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.034 -3.755 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.975 -3.404 0.833 1.00 0.00 H new ATOM 436 N HIS A 26 -2.688 -5.296 -0.952 1.00 0.00 N ATOM 437 CA HIS A 26 -3.982 -5.863 -1.429 1.00 0.00 C ATOM 438 C HIS A 26 -5.141 -5.126 -0.757 1.00 0.00 C ATOM 439 O HIS A 26 -6.069 -4.681 -1.405 1.00 0.00 O ATOM 440 CB HIS A 26 -3.956 -7.332 -1.003 1.00 0.00 C ATOM 441 CG HIS A 26 -2.934 -8.073 -1.819 1.00 0.00 C ATOM 442 ND1 HIS A 26 -3.244 -8.661 -3.036 1.00 0.00 N ATOM 443 CD2 HIS A 26 -1.603 -8.333 -1.606 1.00 0.00 C ATOM 444 CE1 HIS A 26 -2.125 -9.239 -3.505 1.00 0.00 C ATOM 445 NE2 HIS A 26 -1.094 -9.070 -2.672 1.00 0.00 N ATOM 0 H HIS A 26 -2.717 -4.891 -0.016 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.114 -5.761 -2.506 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.716 -7.410 0.057 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.941 -7.779 -1.141 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.037 -8.014 -0.743 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.066 -9.775 -4.441 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.139 -9.408 -2.791 1.00 0.00 H new ATOM 453 N HIS A 27 -5.047 -4.931 0.533 1.00 0.00 N ATOM 454 CA HIS A 27 -6.088 -4.146 1.260 1.00 0.00 C ATOM 455 C HIS A 27 -5.429 -3.064 2.123 1.00 0.00 C ATOM 456 O HIS A 27 -5.879 -1.936 2.169 1.00 0.00 O ATOM 457 CB HIS A 27 -6.812 -5.167 2.139 1.00 0.00 C ATOM 458 CG HIS A 27 -8.070 -4.557 2.702 1.00 0.00 C ATOM 459 ND1 HIS A 27 -8.984 -5.296 3.435 1.00 0.00 N ATOM 460 CD2 HIS A 27 -8.579 -3.280 2.650 1.00 0.00 C ATOM 461 CE1 HIS A 27 -9.985 -4.469 3.792 1.00 0.00 C ATOM 462 NE2 HIS A 27 -9.788 -3.229 3.338 1.00 0.00 N ATOM 0 H HIS A 27 -4.289 -5.284 1.117 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.771 -3.637 0.580 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.057 -6.054 1.555 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.159 -5.490 2.950 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.112 -2.444 2.151 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.843 -4.772 4.374 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.393 -2.418 3.467 1.00 0.00 H new ATOM 470 N LYS A 28 -4.348 -3.398 2.784 1.00 0.00 N ATOM 471 CA LYS A 28 -3.632 -2.389 3.624 1.00 0.00 C ATOM 472 C LYS A 28 -2.918 -1.361 2.739 1.00 0.00 C ATOM 473 O LYS A 28 -2.256 -1.708 1.776 1.00 0.00 O ATOM 474 CB LYS A 28 -2.614 -3.191 4.437 1.00 0.00 C ATOM 475 CG LYS A 28 -3.345 -4.021 5.494 1.00 0.00 C ATOM 476 CD LYS A 28 -2.514 -5.259 5.837 1.00 0.00 C ATOM 477 CE LYS A 28 -2.851 -5.725 7.255 1.00 0.00 C ATOM 478 NZ LYS A 28 -1.757 -6.669 7.619 1.00 0.00 N ATOM 0 H LYS A 28 -3.930 -4.328 2.778 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.318 -1.833 4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.041 -3.844 3.779 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.903 -2.517 4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.512 -3.423 6.390 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.325 -4.320 5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.719 -6.056 5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.451 -5.029 5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.894 -4.884 7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.824 -6.216 7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.917 -7.032 8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.745 -7.462 6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.844 -6.172 7.585 1.00 0.00 H new ATOM 492 N VAL A 29 -2.991 -0.106 3.109 1.00 0.00 N ATOM 493 CA VAL A 29 -2.258 0.951 2.352 1.00 0.00 C ATOM 494 C VAL A 29 -0.894 1.193 3.003 1.00 0.00 C ATOM 495 O VAL A 29 -0.787 1.312 4.209 1.00 0.00 O ATOM 496 CB VAL A 29 -3.143 2.199 2.458 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.481 3.371 1.728 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.507 1.914 1.822 1.00 0.00 C ATOM 0 H VAL A 29 -3.530 0.231 3.907 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.074 0.677 1.313 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.273 2.455 3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.115 4.254 1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.511 3.579 2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.345 3.115 0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.136 2.801 1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.372 1.653 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.985 1.085 2.343 1.00 0.00 H new ATOM 508 N TYR A 30 0.150 1.235 2.215 1.00 0.00 N ATOM 509 CA TYR A 30 1.514 1.431 2.786 1.00 0.00 C ATOM 510 C TYR A 30 1.999 2.868 2.576 1.00 0.00 C ATOM 511 O TYR A 30 2.262 3.282 1.462 1.00 0.00 O ATOM 512 CB TYR A 30 2.408 0.463 2.011 1.00 0.00 C ATOM 513 CG TYR A 30 2.197 -0.942 2.514 1.00 0.00 C ATOM 514 CD1 TYR A 30 0.969 -1.580 2.314 1.00 0.00 C ATOM 515 CD2 TYR A 30 3.233 -1.606 3.178 1.00 0.00 C ATOM 516 CE1 TYR A 30 0.775 -2.885 2.780 1.00 0.00 C ATOM 517 CE2 TYR A 30 3.041 -2.910 3.644 1.00 0.00 C ATOM 518 CZ TYR A 30 1.811 -3.551 3.446 1.00 0.00 C ATOM 519 OH TYR A 30 1.621 -4.838 3.905 1.00 0.00 O ATOM 0 H TYR A 30 0.115 1.142 1.200 1.00 0.00 H new ATOM 0 HA TYR A 30 1.527 1.249 3.861 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.180 0.516 0.946 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.454 0.747 2.127 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.170 -1.066 1.800 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.181 -1.112 3.331 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.173 -3.378 2.626 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.841 -3.423 4.157 1.00 0.00 H new ATOM 0 HH TYR A 30 2.439 -5.153 4.343 1.00 0.00 H new ATOM 529 N ASP A 31 2.279 3.565 3.648 1.00 0.00 N ATOM 530 CA ASP A 31 2.935 4.903 3.526 1.00 0.00 C ATOM 531 C ASP A 31 4.424 4.751 3.834 1.00 0.00 C ATOM 532 O ASP A 31 4.878 5.059 4.921 1.00 0.00 O ATOM 533 CB ASP A 31 2.253 5.786 4.570 1.00 0.00 C ATOM 534 CG ASP A 31 2.637 7.247 4.333 1.00 0.00 C ATOM 535 OD1 ASP A 31 2.780 7.622 3.180 1.00 0.00 O ATOM 536 OD2 ASP A 31 2.781 7.967 5.307 1.00 0.00 O ATOM 0 H ASP A 31 2.082 3.266 4.603 1.00 0.00 H new ATOM 0 HA ASP A 31 2.843 5.333 2.529 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.171 5.669 4.510 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.551 5.479 5.572 1.00 0.00 H new ATOM 541 N LEU A 32 5.166 4.191 2.916 1.00 0.00 N ATOM 542 CA LEU A 32 6.613 3.907 3.177 1.00 0.00 C ATOM 543 C LEU A 32 7.452 5.168 2.934 1.00 0.00 C ATOM 544 O LEU A 32 8.392 5.158 2.161 1.00 0.00 O ATOM 545 CB LEU A 32 7.019 2.794 2.187 1.00 0.00 C ATOM 546 CG LEU A 32 5.938 1.694 2.122 1.00 0.00 C ATOM 547 CD1 LEU A 32 5.230 1.750 0.765 1.00 0.00 C ATOM 548 CD2 LEU A 32 6.583 0.314 2.299 1.00 0.00 C ATOM 0 H LEU A 32 4.833 3.916 1.992 1.00 0.00 H new ATOM 0 HA LEU A 32 6.779 3.599 4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.169 3.221 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.970 2.358 2.494 1.00 0.00 H new ATOM 0 HG LEU A 32 5.215 1.859 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.467 0.973 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.762 2.726 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.957 1.591 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.813 -0.456 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.311 0.148 1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.084 0.268 3.266 1.00 0.00 H new ATOM 560 N THR A 33 7.146 6.236 3.626 1.00 0.00 N ATOM 561 CA THR A 33 7.953 7.487 3.478 1.00 0.00 C ATOM 562 C THR A 33 9.361 7.287 4.052 1.00 0.00 C ATOM 563 O THR A 33 10.306 7.930 3.632 1.00 0.00 O ATOM 564 CB THR A 33 7.191 8.559 4.269 1.00 0.00 C ATOM 565 OG1 THR A 33 7.903 9.786 4.199 1.00 0.00 O ATOM 566 CG2 THR A 33 7.049 8.135 5.736 1.00 0.00 C ATOM 0 H THR A 33 6.372 6.297 4.288 1.00 0.00 H new ATOM 0 HA THR A 33 8.078 7.770 2.433 1.00 0.00 H new ATOM 0 HB THR A 33 6.197 8.681 3.839 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.265 9.903 3.296 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.507 8.904 6.286 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.501 7.194 5.791 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.038 8.005 6.174 1.00 0.00 H new ATOM 574 N LYS A 34 9.513 6.378 4.983 1.00 0.00 N ATOM 575 CA LYS A 34 10.866 6.105 5.557 1.00 0.00 C ATOM 576 C LYS A 34 11.670 5.202 4.617 1.00 0.00 C ATOM 577 O LYS A 34 12.883 5.282 4.557 1.00 0.00 O ATOM 578 CB LYS A 34 10.599 5.396 6.886 1.00 0.00 C ATOM 579 CG LYS A 34 11.613 5.868 7.931 1.00 0.00 C ATOM 580 CD LYS A 34 11.009 5.725 9.329 1.00 0.00 C ATOM 581 CE LYS A 34 12.132 5.653 10.366 1.00 0.00 C ATOM 582 NZ LYS A 34 12.318 7.056 10.831 1.00 0.00 N ATOM 0 H LYS A 34 8.757 5.813 5.370 1.00 0.00 H new ATOM 0 HA LYS A 34 11.447 7.017 5.692 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.585 5.608 7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.672 4.316 6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.528 5.280 7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.886 6.907 7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.356 6.571 9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.394 4.827 9.381 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.864 4.995 11.193 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.049 5.257 9.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.073 7.088 11.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.579 7.658 10.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.431 7.404 11.249 1.00 0.00 H new ATOM 596 N PHE A 35 10.999 4.380 3.851 1.00 0.00 N ATOM 597 CA PHE A 35 11.715 3.508 2.870 1.00 0.00 C ATOM 598 C PHE A 35 12.069 4.313 1.616 1.00 0.00 C ATOM 599 O PHE A 35 13.103 4.107 1.009 1.00 0.00 O ATOM 600 CB PHE A 35 10.722 2.391 2.534 1.00 0.00 C ATOM 601 CG PHE A 35 11.337 1.440 1.530 1.00 0.00 C ATOM 602 CD1 PHE A 35 12.325 0.535 1.933 1.00 0.00 C ATOM 603 CD2 PHE A 35 10.918 1.472 0.195 1.00 0.00 C ATOM 604 CE1 PHE A 35 12.894 -0.340 0.998 1.00 0.00 C ATOM 605 CE2 PHE A 35 11.485 0.598 -0.738 1.00 0.00 C ATOM 606 CZ PHE A 35 12.473 -0.308 -0.338 1.00 0.00 C ATOM 0 H PHE A 35 9.985 4.275 3.862 1.00 0.00 H new ATOM 0 HA PHE A 35 12.649 3.112 3.268 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.449 1.850 3.440 1.00 0.00 H new ATOM 0 HB3 PHE A 35 9.804 2.818 2.129 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.649 0.511 2.963 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.156 2.172 -0.115 1.00 0.00 H new ATOM 0 HE1 PHE A 35 13.657 -1.039 1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.160 0.623 -1.768 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.911 -0.983 -1.059 1.00 0.00 H new ATOM 616 N LEU A 36 11.228 5.245 1.241 1.00 0.00 N ATOM 617 CA LEU A 36 11.525 6.089 0.041 1.00 0.00 C ATOM 618 C LEU A 36 12.852 6.831 0.230 1.00 0.00 C ATOM 619 O LEU A 36 13.601 7.031 -0.708 1.00 0.00 O ATOM 620 CB LEU A 36 10.366 7.085 -0.053 1.00 0.00 C ATOM 621 CG LEU A 36 10.174 7.512 -1.509 1.00 0.00 C ATOM 622 CD1 LEU A 36 8.934 8.402 -1.619 1.00 0.00 C ATOM 623 CD2 LEU A 36 11.404 8.293 -1.980 1.00 0.00 C ATOM 0 H LEU A 36 10.349 5.458 1.713 1.00 0.00 H new ATOM 0 HA LEU A 36 11.619 5.490 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.451 6.631 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.571 7.957 0.568 1.00 0.00 H new ATOM 0 HG LEU A 36 10.045 6.627 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.796 8.707 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.057 7.848 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.064 9.286 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.267 8.597 -3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.534 9.178 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.288 7.661 -1.901 1.00 0.00 H new ATOM 635 N GLU A 37 13.170 7.186 1.450 1.00 0.00 N ATOM 636 CA GLU A 37 14.477 7.854 1.724 1.00 0.00 C ATOM 637 C GLU A 37 15.517 6.824 2.182 1.00 0.00 C ATOM 638 O GLU A 37 16.490 7.162 2.830 1.00 0.00 O ATOM 639 CB GLU A 37 14.184 8.854 2.844 1.00 0.00 C ATOM 640 CG GLU A 37 15.438 9.681 3.132 1.00 0.00 C ATOM 641 CD GLU A 37 15.036 11.016 3.763 1.00 0.00 C ATOM 642 OE1 GLU A 37 14.388 10.988 4.796 1.00 0.00 O ATOM 643 OE2 GLU A 37 15.383 12.041 3.201 1.00 0.00 O ATOM 0 H GLU A 37 12.579 7.041 2.269 1.00 0.00 H new ATOM 0 HA GLU A 37 14.884 8.341 0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.362 9.509 2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.869 8.326 3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.101 9.134 3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.992 9.855 2.209 1.00 0.00 H new ATOM 650 N GLU A 38 15.344 5.582 1.805 1.00 0.00 N ATOM 651 CA GLU A 38 16.348 4.537 2.164 1.00 0.00 C ATOM 652 C GLU A 38 16.959 3.941 0.894 1.00 0.00 C ATOM 653 O GLU A 38 18.164 3.923 0.725 1.00 0.00 O ATOM 654 CB GLU A 38 15.559 3.474 2.930 1.00 0.00 C ATOM 655 CG GLU A 38 16.455 2.838 3.994 1.00 0.00 C ATOM 656 CD GLU A 38 15.586 2.179 5.066 1.00 0.00 C ATOM 657 OE1 GLU A 38 14.926 1.203 4.748 1.00 0.00 O ATOM 658 OE2 GLU A 38 15.596 2.660 6.187 1.00 0.00 O ATOM 0 H GLU A 38 14.548 5.247 1.262 1.00 0.00 H new ATOM 0 HA GLU A 38 17.170 4.938 2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.684 3.924 3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.196 2.710 2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.111 2.097 3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.096 3.596 4.445 1.00 0.00 H new ATOM 665 N HIS A 39 16.131 3.515 -0.026 1.00 0.00 N ATOM 666 CA HIS A 39 16.651 2.988 -1.322 1.00 0.00 C ATOM 667 C HIS A 39 16.126 3.847 -2.482 1.00 0.00 C ATOM 668 O HIS A 39 15.048 4.401 -2.389 1.00 0.00 O ATOM 669 CB HIS A 39 16.102 1.563 -1.424 1.00 0.00 C ATOM 670 CG HIS A 39 16.631 0.733 -0.285 1.00 0.00 C ATOM 671 ND1 HIS A 39 15.795 0.022 0.561 1.00 0.00 N ATOM 672 CD2 HIS A 39 17.907 0.492 0.160 1.00 0.00 C ATOM 673 CE1 HIS A 39 16.569 -0.609 1.462 1.00 0.00 C ATOM 674 NE2 HIS A 39 17.867 -0.355 1.264 1.00 0.00 N ATOM 0 H HIS A 39 15.115 3.510 0.066 1.00 0.00 H new ATOM 0 HA HIS A 39 17.740 3.007 -1.370 1.00 0.00 H new ATOM 0 HB2 HIS A 39 15.012 1.580 -1.399 1.00 0.00 H new ATOM 0 HB3 HIS A 39 16.392 1.118 -2.376 1.00 0.00 H new ATOM 0 HD1 HIS A 39 14.777 -0.016 0.510 1.00 0.00 H new ATOM 0 HD2 HIS A 39 18.806 0.898 -0.280 1.00 0.00 H new ATOM 0 HE1 HIS A 39 16.189 -1.243 2.249 1.00 0.00 H new ATOM 682 N PRO A 40 16.897 3.937 -3.548 1.00 0.00 N ATOM 683 CA PRO A 40 16.474 4.747 -4.727 1.00 0.00 C ATOM 684 C PRO A 40 15.069 4.340 -5.189 1.00 0.00 C ATOM 685 O PRO A 40 14.890 3.330 -5.843 1.00 0.00 O ATOM 686 CB PRO A 40 17.512 4.401 -5.793 1.00 0.00 C ATOM 687 CG PRO A 40 18.717 3.960 -5.028 1.00 0.00 C ATOM 688 CD PRO A 40 18.215 3.315 -3.763 1.00 0.00 C ATOM 0 HA PRO A 40 16.425 5.814 -4.512 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.152 3.612 -6.453 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.736 5.264 -6.421 1.00 0.00 H new ATOM 0 HG2 PRO A 40 19.310 3.256 -5.612 1.00 0.00 H new ATOM 0 HG3 PRO A 40 19.362 4.808 -4.800 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.134 2.233 -3.871 1.00 0.00 H new ATOM 0 HD3 PRO A 40 18.887 3.502 -2.925 1.00 0.00 H new ATOM 696 N GLY A 41 14.079 5.129 -4.858 1.00 0.00 N ATOM 697 CA GLY A 41 12.687 4.807 -5.279 1.00 0.00 C ATOM 698 C GLY A 41 11.843 6.079 -5.265 1.00 0.00 C ATOM 699 O GLY A 41 11.503 6.599 -4.220 1.00 0.00 O ATOM 0 H GLY A 41 14.178 5.985 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.690 4.371 -6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.256 4.064 -4.608 1.00 0.00 H new ATOM 703 N GLY A 42 11.472 6.561 -6.423 1.00 0.00 N ATOM 704 CA GLY A 42 10.609 7.780 -6.500 1.00 0.00 C ATOM 705 C GLY A 42 9.309 7.552 -5.721 1.00 0.00 C ATOM 706 O GLY A 42 8.933 8.353 -4.884 1.00 0.00 O ATOM 0 H GLY A 42 11.731 6.161 -7.325 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.141 8.639 -6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.383 8.011 -7.541 1.00 0.00 H new ATOM 710 N GLU A 43 8.645 6.446 -5.956 1.00 0.00 N ATOM 711 CA GLU A 43 7.393 6.140 -5.193 1.00 0.00 C ATOM 712 C GLU A 43 6.920 4.710 -5.475 1.00 0.00 C ATOM 713 O GLU A 43 6.429 4.028 -4.595 1.00 0.00 O ATOM 714 CB GLU A 43 6.355 7.157 -5.689 1.00 0.00 C ATOM 715 CG GLU A 43 6.170 7.021 -7.204 1.00 0.00 C ATOM 716 CD GLU A 43 5.387 8.225 -7.733 1.00 0.00 C ATOM 717 OE1 GLU A 43 5.864 9.335 -7.567 1.00 0.00 O ATOM 718 OE2 GLU A 43 4.325 8.016 -8.295 1.00 0.00 O ATOM 0 H GLU A 43 8.915 5.742 -6.643 1.00 0.00 H new ATOM 0 HA GLU A 43 7.551 6.210 -4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.404 6.995 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.679 8.168 -5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.141 6.961 -7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.638 6.098 -7.435 1.00 0.00 H new ATOM 725 N GLU A 44 7.044 4.258 -6.699 1.00 0.00 N ATOM 726 CA GLU A 44 6.582 2.877 -7.042 1.00 0.00 C ATOM 727 C GLU A 44 7.761 1.897 -7.089 1.00 0.00 C ATOM 728 O GLU A 44 8.121 1.398 -8.139 1.00 0.00 O ATOM 729 CB GLU A 44 5.924 3.005 -8.423 1.00 0.00 C ATOM 730 CG GLU A 44 6.941 3.531 -9.448 1.00 0.00 C ATOM 731 CD GLU A 44 6.650 5.003 -9.757 1.00 0.00 C ATOM 732 OE1 GLU A 44 5.505 5.314 -10.040 1.00 0.00 O ATOM 733 OE2 GLU A 44 7.578 5.793 -9.706 1.00 0.00 O ATOM 0 H GLU A 44 7.445 4.785 -7.475 1.00 0.00 H new ATOM 0 HA GLU A 44 5.891 2.486 -6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.542 2.036 -8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.071 3.681 -8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.953 3.425 -9.058 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.888 2.940 -10.363 1.00 0.00 H new ATOM 740 N VAL A 45 8.308 1.556 -5.949 1.00 0.00 N ATOM 741 CA VAL A 45 9.401 0.533 -5.914 1.00 0.00 C ATOM 742 C VAL A 45 8.940 -0.725 -5.169 1.00 0.00 C ATOM 743 O VAL A 45 9.395 -1.817 -5.453 1.00 0.00 O ATOM 744 CB VAL A 45 10.571 1.195 -5.177 1.00 0.00 C ATOM 745 CG1 VAL A 45 11.067 2.395 -5.985 1.00 0.00 C ATOM 746 CG2 VAL A 45 10.123 1.663 -3.789 1.00 0.00 C ATOM 0 H VAL A 45 8.046 1.941 -5.041 1.00 0.00 H new ATOM 0 HA VAL A 45 9.686 0.220 -6.918 1.00 0.00 H new ATOM 0 HB VAL A 45 11.377 0.470 -5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.899 2.867 -5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.399 2.060 -6.968 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.257 3.115 -6.102 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.962 2.132 -3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.312 2.384 -3.892 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.776 0.807 -3.211 1.00 0.00 H new ATOM 756 N LEU A 46 8.006 -0.590 -4.259 1.00 0.00 N ATOM 757 CA LEU A 46 7.477 -1.790 -3.544 1.00 0.00 C ATOM 758 C LEU A 46 6.597 -2.616 -4.486 1.00 0.00 C ATOM 759 O LEU A 46 5.409 -2.771 -4.272 1.00 0.00 O ATOM 760 CB LEU A 46 6.651 -1.237 -2.379 1.00 0.00 C ATOM 761 CG LEU A 46 7.496 -1.250 -1.098 1.00 0.00 C ATOM 762 CD1 LEU A 46 8.033 0.156 -0.823 1.00 0.00 C ATOM 763 CD2 LEU A 46 6.633 -1.703 0.083 1.00 0.00 C ATOM 0 H LEU A 46 7.589 0.298 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 46 8.274 -2.446 -3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.325 -0.221 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.752 -1.837 -2.240 1.00 0.00 H new ATOM 0 HG LEU A 46 8.330 -1.940 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.633 0.145 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.651 0.480 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.199 0.846 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.235 -1.711 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.797 -1.015 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.251 -2.706 -0.109 1.00 0.00 H new ATOM 1078 N GLU A 69 11.835 -8.789 6.255 1.00 0.00 N ATOM 1079 CA GLU A 69 10.728 -8.086 5.542 1.00 0.00 C ATOM 1080 C GLU A 69 10.324 -6.822 6.307 1.00 0.00 C ATOM 1081 O GLU A 69 9.792 -6.893 7.399 1.00 0.00 O ATOM 1082 CB GLU A 69 9.574 -9.089 5.515 1.00 0.00 C ATOM 1083 CG GLU A 69 8.617 -8.736 4.374 1.00 0.00 C ATOM 1084 CD GLU A 69 8.995 -9.533 3.124 1.00 0.00 C ATOM 1085 OE1 GLU A 69 10.178 -9.747 2.917 1.00 0.00 O ATOM 1086 OE2 GLU A 69 8.095 -9.917 2.395 1.00 0.00 O ATOM 0 HA GLU A 69 11.017 -7.771 4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.960 -10.100 5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.043 -9.074 6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.590 -8.960 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.663 -7.667 4.164 1.00 0.00 H new ATOM 1093 N LEU A 70 10.548 -5.670 5.726 1.00 0.00 N ATOM 1094 CA LEU A 70 10.151 -4.396 6.403 1.00 0.00 C ATOM 1095 C LEU A 70 8.713 -3.989 6.017 1.00 0.00 C ATOM 1096 O LEU A 70 8.301 -2.867 6.251 1.00 0.00 O ATOM 1097 CB LEU A 70 11.212 -3.353 5.961 1.00 0.00 C ATOM 1098 CG LEU A 70 10.834 -2.631 4.650 1.00 0.00 C ATOM 1099 CD1 LEU A 70 11.837 -1.510 4.382 1.00 0.00 C ATOM 1100 CD2 LEU A 70 10.860 -3.617 3.479 1.00 0.00 C ATOM 0 H LEU A 70 10.988 -5.556 4.813 1.00 0.00 H new ATOM 0 HA LEU A 70 10.132 -4.489 7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.340 -2.615 6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.173 -3.852 5.831 1.00 0.00 H new ATOM 0 HG LEU A 70 9.830 -2.218 4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.572 -0.998 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.817 -0.799 5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.838 -1.932 4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.592 -3.097 2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.861 -4.037 3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.146 -4.420 3.663 1.00 0.00 H new ATOM 1112 N SER A 71 7.939 -4.900 5.474 1.00 0.00 N ATOM 1113 CA SER A 71 6.524 -4.574 5.127 1.00 0.00 C ATOM 1114 C SER A 71 5.620 -4.783 6.346 1.00 0.00 C ATOM 1115 O SER A 71 4.632 -5.491 6.283 1.00 0.00 O ATOM 1116 CB SER A 71 6.156 -5.550 4.009 1.00 0.00 C ATOM 1117 OG SER A 71 6.607 -6.853 4.357 1.00 0.00 O ATOM 0 H SER A 71 8.229 -5.854 5.257 1.00 0.00 H new ATOM 0 HA SER A 71 6.402 -3.536 4.817 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.077 -5.555 3.855 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.610 -5.234 3.070 1.00 0.00 H new ATOM 0 HG SER A 71 6.429 -7.470 3.616 1.00 0.00 H new ATOM 1123 N LYS A 72 5.933 -4.140 7.443 1.00 0.00 N ATOM 1124 CA LYS A 72 5.076 -4.261 8.660 1.00 0.00 C ATOM 1125 C LYS A 72 5.020 -2.923 9.403 1.00 0.00 C ATOM 1126 O LYS A 72 3.962 -2.464 9.791 1.00 0.00 O ATOM 1127 CB LYS A 72 5.759 -5.324 9.521 1.00 0.00 C ATOM 1128 CG LYS A 72 5.238 -6.709 9.129 1.00 0.00 C ATOM 1129 CD LYS A 72 3.768 -6.836 9.531 1.00 0.00 C ATOM 1130 CE LYS A 72 3.387 -8.315 9.618 1.00 0.00 C ATOM 1131 NZ LYS A 72 2.173 -8.350 10.481 1.00 0.00 N ATOM 0 H LYS A 72 6.748 -3.535 7.547 1.00 0.00 H new ATOM 0 HA LYS A 72 4.049 -4.532 8.416 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.840 -5.278 9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.562 -5.135 10.576 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.346 -6.859 8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.828 -7.483 9.620 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.600 -6.349 10.492 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.136 -6.329 8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.181 -8.728 8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.195 -8.906 10.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.851 -9.333 10.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.401 -7.957 11.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.419 -7.785 10.042 1.00 0.00 H new ATOM 1145 N THR A 73 6.148 -2.278 9.566 1.00 0.00 N ATOM 1146 CA THR A 73 6.164 -0.945 10.242 1.00 0.00 C ATOM 1147 C THR A 73 6.143 0.180 9.201 1.00 0.00 C ATOM 1148 O THR A 73 6.581 1.284 9.463 1.00 0.00 O ATOM 1149 CB THR A 73 7.473 -0.918 11.033 1.00 0.00 C ATOM 1150 OG1 THR A 73 8.566 -1.107 10.144 1.00 0.00 O ATOM 1151 CG2 THR A 73 7.465 -2.035 12.077 1.00 0.00 C ATOM 0 H THR A 73 7.060 -2.618 9.260 1.00 0.00 H new ATOM 0 HA THR A 73 5.295 -0.798 10.884 1.00 0.00 H new ATOM 0 HB THR A 73 7.574 0.044 11.535 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.491 -0.479 9.395 1.00 0.00 H new ATOM 0 HG21 THR A 73 8.398 -2.014 12.639 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.627 -1.890 12.759 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.364 -2.999 11.578 1.00 0.00 H new ATOM 1159 N TYR A 74 5.600 -0.081 8.039 1.00 0.00 N ATOM 1160 CA TYR A 74 5.502 0.980 6.993 1.00 0.00 C ATOM 1161 C TYR A 74 4.065 1.078 6.475 1.00 0.00 C ATOM 1162 O TYR A 74 3.831 1.461 5.343 1.00 0.00 O ATOM 1163 CB TYR A 74 6.439 0.522 5.874 1.00 0.00 C ATOM 1164 CG TYR A 74 7.875 0.692 6.310 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.419 -0.161 7.279 1.00 0.00 C ATOM 1166 CD2 TYR A 74 8.665 1.700 5.744 1.00 0.00 C ATOM 1167 CE1 TYR A 74 9.750 -0.005 7.682 1.00 0.00 C ATOM 1168 CE2 TYR A 74 9.997 1.856 6.146 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.540 1.003 7.115 1.00 0.00 C ATOM 1170 OH TYR A 74 11.852 1.157 7.511 1.00 0.00 O ATOM 0 H TYR A 74 5.219 -0.988 7.769 1.00 0.00 H new ATOM 0 HA TYR A 74 5.773 1.963 7.377 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.245 -0.522 5.629 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.252 1.102 4.970 1.00 0.00 H new ATOM 0 HD1 TYR A 74 7.811 -0.940 7.715 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.246 2.358 4.997 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.168 -0.662 8.430 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.606 2.634 5.709 1.00 0.00 H new ATOM 0 HH TYR A 74 12.257 1.901 7.019 1.00 0.00 H new ATOM 1180 N ILE A 75 3.102 0.741 7.295 1.00 0.00 N ATOM 1181 CA ILE A 75 1.674 0.819 6.853 1.00 0.00 C ATOM 1182 C ILE A 75 0.925 1.879 7.666 1.00 0.00 C ATOM 1183 O ILE A 75 1.356 2.272 8.734 1.00 0.00 O ATOM 1184 CB ILE A 75 1.087 -0.575 7.109 1.00 0.00 C ATOM 1185 CG1 ILE A 75 1.931 -1.640 6.397 1.00 0.00 C ATOM 1186 CG2 ILE A 75 -0.340 -0.629 6.562 1.00 0.00 C ATOM 1187 CD1 ILE A 75 1.462 -3.032 6.823 1.00 0.00 C ATOM 0 H ILE A 75 3.242 0.415 8.251 1.00 0.00 H new ATOM 0 HA ILE A 75 1.587 1.103 5.804 1.00 0.00 H new ATOM 0 HB ILE A 75 1.087 -0.769 8.182 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.840 -1.529 5.317 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.985 -1.509 6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.761 -1.618 6.742 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.950 0.122 7.063 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.327 -0.430 5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.062 -3.789 6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.576 -3.140 7.902 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.414 -3.161 6.554 1.00 0.00 H new ATOM 1199 N ILE A 76 -0.195 2.338 7.168 1.00 0.00 N ATOM 1200 CA ILE A 76 -0.984 3.373 7.907 1.00 0.00 C ATOM 1201 C ILE A 76 -2.424 2.900 8.151 1.00 0.00 C ATOM 1202 O ILE A 76 -3.020 3.217 9.163 1.00 0.00 O ATOM 1203 CB ILE A 76 -0.971 4.616 7.008 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.523 4.269 5.617 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.463 5.127 6.873 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -1.627 5.539 4.768 1.00 0.00 C ATOM 0 H ILE A 76 -0.599 2.041 6.280 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.555 3.575 8.889 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.598 5.387 7.456 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.871 3.546 5.127 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.503 3.802 5.711 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.476 6.010 6.235 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.851 5.385 7.858 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.086 4.350 6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.019 5.287 3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.297 6.248 5.254 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.639 5.987 4.662 1.00 0.00 H new ATOM 1218 N GLY A 77 -2.983 2.143 7.239 1.00 0.00 N ATOM 1219 CA GLY A 77 -4.381 1.649 7.426 1.00 0.00 C ATOM 1220 C GLY A 77 -4.802 0.826 6.210 1.00 0.00 C ATOM 1221 O GLY A 77 -3.974 0.357 5.453 1.00 0.00 O ATOM 0 H GLY A 77 -2.531 1.846 6.374 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.445 1.041 8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.060 2.491 7.560 1.00 0.00 H new ATOM 1225 N GLU A 78 -6.086 0.691 5.989 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.569 -0.048 4.784 1.00 0.00 C ATOM 1227 C GLU A 78 -7.330 0.898 3.854 1.00 0.00 C ATOM 1228 O GLU A 78 -7.554 2.050 4.176 1.00 0.00 O ATOM 1229 CB GLU A 78 -7.508 -1.127 5.323 1.00 0.00 C ATOM 1230 CG GLU A 78 -6.722 -2.417 5.564 1.00 0.00 C ATOM 1231 CD GLU A 78 -7.695 -3.565 5.834 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -8.710 -3.320 6.466 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -7.410 -4.671 5.404 1.00 0.00 O ATOM 0 H GLU A 78 -6.821 1.061 6.592 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.746 -0.473 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.969 -0.791 6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.315 -1.308 4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.104 -2.646 4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.047 -2.291 6.411 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.782 0.401 2.730 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.592 1.247 1.803 1.00 0.00 C ATOM 1242 C LEU A 79 -10.085 1.063 2.091 1.00 0.00 C ATOM 1243 O LEU A 79 -10.478 0.173 2.822 1.00 0.00 O ATOM 1244 CB LEU A 79 -8.246 0.740 0.402 1.00 0.00 C ATOM 1245 CG LEU A 79 -8.550 1.832 -0.631 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -7.458 1.842 -1.705 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -9.906 1.557 -1.287 1.00 0.00 C ATOM 0 H LEU A 79 -7.624 -0.556 2.414 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.377 2.310 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.193 0.464 0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.822 -0.158 0.177 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.578 2.801 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.676 2.619 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.493 2.042 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.427 0.872 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.120 2.334 -2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.880 0.587 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.685 1.554 -0.525 1.00 0.00 H new ATOM 1259 N HIS A 80 -10.918 1.880 1.496 1.00 0.00 N ATOM 1260 CA HIS A 80 -12.391 1.737 1.705 1.00 0.00 C ATOM 1261 C HIS A 80 -12.944 0.596 0.829 1.00 0.00 C ATOM 1262 O HIS A 80 -12.708 0.579 -0.363 1.00 0.00 O ATOM 1263 CB HIS A 80 -12.983 3.079 1.268 1.00 0.00 C ATOM 1264 CG HIS A 80 -14.223 3.365 2.070 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -15.460 2.842 1.731 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -14.432 4.119 3.198 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -16.351 3.282 2.638 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -15.775 4.065 3.556 1.00 0.00 N ATOM 0 H HIS A 80 -10.641 2.640 0.874 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.640 1.496 2.738 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.252 3.875 1.412 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.222 3.054 0.205 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -13.669 4.671 3.727 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.402 3.033 2.626 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.224 4.524 4.349 1.00 0.00 H new ATOM 1276 N PRO A 81 -13.665 -0.330 1.435 1.00 0.00 N ATOM 1277 CA PRO A 81 -14.241 -1.470 0.664 1.00 0.00 C ATOM 1278 C PRO A 81 -15.063 -0.973 -0.534 1.00 0.00 C ATOM 1279 O PRO A 81 -15.250 -1.683 -1.504 1.00 0.00 O ATOM 1280 CB PRO A 81 -15.146 -2.170 1.677 1.00 0.00 C ATOM 1281 CG PRO A 81 -14.586 -1.802 3.010 1.00 0.00 C ATOM 1282 CD PRO A 81 -14.012 -0.419 2.865 1.00 0.00 C ATOM 0 HA PRO A 81 -13.472 -2.123 0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -16.180 -1.839 1.578 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.141 -3.250 1.531 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.362 -1.822 3.776 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.817 -2.511 3.317 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.735 0.346 3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.136 -0.281 3.499 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.548 0.244 -0.474 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.351 0.797 -1.612 1.00 0.00 C ATOM 1292 C ASP A 82 -15.546 0.755 -2.916 1.00 0.00 C ATOM 1293 O ASP A 82 -15.936 0.112 -3.872 1.00 0.00 O ATOM 1294 CB ASP A 82 -16.658 2.245 -1.222 1.00 0.00 C ATOM 1295 CG ASP A 82 -17.865 2.744 -2.018 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -18.926 2.157 -1.878 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -17.709 3.704 -2.754 1.00 0.00 O ATOM 0 H ASP A 82 -15.423 0.879 0.314 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.258 0.218 -1.784 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.862 2.309 -0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.792 2.877 -1.420 1.00 0.00 H new ATOM 1302 N ASP A 83 -14.421 1.423 -2.953 1.00 0.00 N ATOM 1303 CA ASP A 83 -13.576 1.410 -4.186 1.00 0.00 C ATOM 1304 C ASP A 83 -12.752 0.121 -4.256 1.00 0.00 C ATOM 1305 O ASP A 83 -12.554 -0.439 -5.317 1.00 0.00 O ATOM 1306 CB ASP A 83 -12.660 2.626 -4.050 1.00 0.00 C ATOM 1307 CG ASP A 83 -13.330 3.845 -4.685 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -13.716 3.751 -5.839 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -13.447 4.853 -4.007 1.00 0.00 O ATOM 0 H ASP A 83 -14.050 1.978 -2.181 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.175 1.449 -5.096 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.450 2.820 -2.998 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.704 2.430 -4.535 1.00 0.00 H new ATOM 1314 N ARG A 84 -12.302 -0.367 -3.127 1.00 0.00 N ATOM 1315 CA ARG A 84 -11.521 -1.644 -3.119 1.00 0.00 C ATOM 1316 C ARG A 84 -12.378 -2.792 -3.662 1.00 0.00 C ATOM 1317 O ARG A 84 -11.920 -3.598 -4.450 1.00 0.00 O ATOM 1318 CB ARG A 84 -11.165 -1.891 -1.651 1.00 0.00 C ATOM 1319 CG ARG A 84 -10.285 -3.137 -1.542 1.00 0.00 C ATOM 1320 CD ARG A 84 -9.646 -3.191 -0.152 1.00 0.00 C ATOM 1321 NE ARG A 84 -9.690 -4.633 0.238 1.00 0.00 N ATOM 1322 CZ ARG A 84 -10.821 -5.219 0.580 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -11.951 -4.552 0.637 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -10.817 -6.491 0.871 1.00 0.00 N ATOM 0 H ARG A 84 -12.441 0.062 -2.212 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.632 -1.584 -3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.642 -1.026 -1.242 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -12.073 -2.022 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.882 -4.033 -1.715 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.511 -3.117 -2.309 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.622 -2.819 -0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.194 -2.573 0.559 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.826 -5.176 0.240 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.968 -3.557 0.414 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.812 -5.029 0.904 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.946 -7.020 0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.685 -6.956 1.137 1.00 0.00 H new ATOM 1338 N SER A 85 -13.627 -2.844 -3.277 1.00 0.00 N ATOM 1339 CA SER A 85 -14.536 -3.907 -3.802 1.00 0.00 C ATOM 1340 C SER A 85 -15.231 -3.429 -5.080 1.00 0.00 C ATOM 1341 O SER A 85 -15.577 -4.217 -5.939 1.00 0.00 O ATOM 1342 CB SER A 85 -15.558 -4.138 -2.691 1.00 0.00 C ATOM 1343 OG SER A 85 -14.886 -4.202 -1.440 1.00 0.00 O ATOM 0 H SER A 85 -14.058 -2.194 -2.620 1.00 0.00 H new ATOM 0 HA SER A 85 -13.998 -4.820 -4.058 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.291 -3.331 -2.682 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.105 -5.064 -2.871 1.00 0.00 H new ATOM 0 HG SER A 85 -14.676 -3.295 -1.135 1.00 0.00 H new ATOM 1349 N LYS A 86 -15.408 -2.136 -5.228 1.00 0.00 N ATOM 1350 CA LYS A 86 -16.047 -1.583 -6.468 1.00 0.00 C ATOM 1351 C LYS A 86 -17.401 -2.257 -6.727 1.00 0.00 C ATOM 1352 O LYS A 86 -17.530 -3.093 -7.600 1.00 0.00 O ATOM 1353 CB LYS A 86 -15.067 -1.887 -7.606 1.00 0.00 C ATOM 1354 CG LYS A 86 -15.526 -1.176 -8.881 1.00 0.00 C ATOM 1355 CD LYS A 86 -14.398 -1.203 -9.915 1.00 0.00 C ATOM 1356 CE LYS A 86 -14.598 -0.065 -10.918 1.00 0.00 C ATOM 1357 NZ LYS A 86 -15.746 -0.495 -11.764 1.00 0.00 N ATOM 0 H LYS A 86 -15.136 -1.435 -4.539 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.241 -0.514 -6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -14.064 -1.557 -7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.013 -2.962 -7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.414 -1.664 -9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.803 -0.146 -8.656 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.433 -1.099 -9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.389 -2.162 -10.434 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.812 0.876 -10.410 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.702 0.094 -11.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.547 -0.271 -12.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.888 -1.520 -11.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.606 0.005 -11.462 1.00 0.00 H new ATOM 1371 N ILE A 87 -18.414 -1.865 -5.997 1.00 0.00 N ATOM 1372 CA ILE A 87 -19.775 -2.442 -6.222 1.00 0.00 C ATOM 1373 C ILE A 87 -20.852 -1.386 -5.935 1.00 0.00 C ATOM 1374 O ILE A 87 -21.907 -1.691 -5.414 1.00 0.00 O ATOM 1375 CB ILE A 87 -19.904 -3.644 -5.259 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -19.945 -3.183 -3.778 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -18.745 -4.624 -5.479 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -18.595 -2.611 -3.315 1.00 0.00 C ATOM 0 H ILE A 87 -18.358 -1.169 -5.253 1.00 0.00 H new ATOM 0 HA ILE A 87 -19.910 -2.761 -7.256 1.00 0.00 H new ATOM 0 HB ILE A 87 -20.845 -4.149 -5.477 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -20.720 -2.427 -3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -20.218 -4.026 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.846 -5.467 -4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.765 -4.986 -6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -17.799 -4.116 -5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -18.669 -2.301 -2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -17.824 -3.375 -3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -18.334 -1.751 -3.932 1.00 0.00 H new