USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 770 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 27 SER OG : rot 91:sc= 0.981 USER MOD Set 1.2: A 61 THR OG1 : rot 93:sc= 0.0778 USER MOD Set 2.1: A 55 HIS : no HE2:sc=-0.00456 X(o=-0.065,f=-0.49) USER MOD Set 2.2: A 59 LYS NZ :NH3+ 161:sc= -0.0605 (180deg=-0.418) USER MOD Set 3.1: A 48 THR OG1 : rot 111:sc= 0.836 USER MOD Set 3.2: A 49 THR OG1 : rot 88:sc= 1.22 USER MOD Set 4.1: A 26 MET CE :methyl -127:sc= -2.51! (180deg=-2.75!) USER MOD Set 4.2: A 80 CYS SG : rot 10:sc= -0.318 USER MOD Set 4.3: A 88 THR OG1 : rot 81:sc= -1.27 USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.056) 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 24 LYS NZ :NH3+ -119:sc= 1.27 (180deg=0.0215) USER MOD Single : A 28 GLN : amide:sc=-0.00729 K(o=-0.0073,f=-0.78) USER MOD Single : A 32 GLN : amide:sc= -2.8! K(o=-2.8!,f=-0.068) USER MOD Single : A 33 CYS SG : rot 72:sc= -0.49! USER MOD Single : A 35 ASN : amide:sc= 1.84 K(o=1.8,f=-4.7!) USER MOD Single : A 37 TYR OH : rot -130:sc= -1.58 USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= -0.0235 (180deg=-0.198) USER MOD Single : A 42 CYS SG : rot 86:sc= -3.33! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-2.3e-05) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -169:sc= -0.0413 (180deg=-0.173) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -89:sc= 1.07 USER MOD Single : A 73 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.15) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 81 ASN : amide:sc= -3.67! C(o=-3.7!,f=-16!) USER MOD Single : A 83 ASN : amide:sc= -0.182 K(o=-0.18,f=-2.1!) USER MOD Single : A 85 LYS NZ :NH3+ 167:sc= 1.25 (180deg=1.09) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 173:sc= 0.447 (180deg=0.296) USER MOD Single : A 89 LYS NZ :NH3+ -156:sc= -0.073 (180deg=-0.399) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -166:sc= -0.0761 (180deg=-0.293) USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= -0.0434 (180deg=-0.347) USER MOD Single : A 95 TYR OH : rot 100:sc= -0.337 USER MOD Single : A 96 MET CE :methyl 168:sc= -1.83 (180deg=-2.2!) USER MOD Single : A 97 GLN : amide:sc= 0.0778 K(o=0.078,f=-1.7) USER MOD Single : A 98 LYS NZ :NH3+ 155:sc= -3.26! (180deg=-4.57!) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.383 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N LYS A 17 2.510 -13.824 7.397 1.00 0.00 N ATOM 104 CA LYS A 17 3.721 -13.299 6.818 1.00 0.00 C ATOM 105 C LYS A 17 3.388 -12.336 5.664 1.00 0.00 C ATOM 106 O LYS A 17 3.982 -11.258 5.567 1.00 0.00 O ATOM 107 CB LYS A 17 4.690 -14.401 6.301 1.00 0.00 C ATOM 108 CG LYS A 17 5.117 -15.496 7.295 1.00 0.00 C ATOM 109 CD LYS A 17 3.988 -16.479 7.577 1.00 0.00 C ATOM 110 CE LYS A 17 4.410 -17.627 8.476 1.00 0.00 C ATOM 111 NZ LYS A 17 5.385 -18.531 7.829 1.00 0.00 N ATOM 0 HA LYS A 17 4.234 -12.771 7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.220 -14.888 5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.591 -13.911 5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.976 -16.035 6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.438 -15.034 8.229 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.158 -15.947 8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.620 -16.881 6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.845 -17.225 9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.528 -18.198 8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.548 -19.358 8.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.011 -18.845 6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.282 -18.026 7.683 1.00 0.00 H new ATOM 125 N SER A 18 2.399 -12.704 4.815 1.00 0.00 N ATOM 126 CA SER A 18 2.156 -11.970 3.582 1.00 0.00 C ATOM 127 C SER A 18 1.756 -10.560 3.825 1.00 0.00 C ATOM 128 O SER A 18 2.266 -9.704 3.215 1.00 0.00 O ATOM 129 CB SER A 18 1.154 -12.651 2.655 1.00 0.00 C ATOM 130 OG SER A 18 -0.105 -12.812 3.259 1.00 0.00 O ATOM 0 H SER A 18 1.773 -13.494 4.971 1.00 0.00 H new ATOM 0 HA SER A 18 3.119 -11.968 3.071 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.045 -12.062 1.745 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.540 -13.626 2.359 1.00 0.00 H new ATOM 0 HG SER A 18 -0.716 -13.250 2.630 1.00 0.00 H new ATOM 136 N LYS A 19 0.853 -10.344 4.735 1.00 0.00 N ATOM 137 CA LYS A 19 0.362 -9.007 5.051 1.00 0.00 C ATOM 138 C LYS A 19 1.481 -8.078 5.492 1.00 0.00 C ATOM 139 O LYS A 19 1.458 -6.906 5.184 1.00 0.00 O ATOM 140 CB LYS A 19 -0.757 -9.069 6.099 1.00 0.00 C ATOM 141 CG LYS A 19 -1.876 -10.066 5.743 1.00 0.00 C ATOM 142 CD LYS A 19 -3.132 -9.885 6.579 1.00 0.00 C ATOM 143 CE LYS A 19 -2.837 -10.048 8.034 1.00 0.00 C ATOM 144 NZ LYS A 19 -4.046 -9.949 8.871 1.00 0.00 N ATOM 0 H LYS A 19 0.425 -11.085 5.290 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.054 -8.588 4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.328 -9.345 7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.190 -8.076 6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.130 -9.954 4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.503 -11.082 5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.553 -8.896 6.399 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.884 -10.612 6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.363 -11.016 8.199 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.122 -9.286 8.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.787 -10.069 9.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.486 -9.016 8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.720 -10.692 8.597 1.00 0.00 H new ATOM 158 N GLU A 20 2.479 -8.626 6.146 1.00 0.00 N ATOM 159 CA GLU A 20 3.622 -7.850 6.613 1.00 0.00 C ATOM 160 C GLU A 20 4.527 -7.541 5.453 1.00 0.00 C ATOM 161 O GLU A 20 4.917 -6.391 5.242 1.00 0.00 O ATOM 162 CB GLU A 20 4.381 -8.634 7.644 1.00 0.00 C ATOM 163 CG GLU A 20 3.499 -9.094 8.743 1.00 0.00 C ATOM 164 CD GLU A 20 2.963 -7.960 9.582 1.00 0.00 C ATOM 165 OE1 GLU A 20 3.748 -7.334 10.345 1.00 0.00 O ATOM 166 OE2 GLU A 20 1.739 -7.688 9.523 1.00 0.00 O ATOM 0 H GLU A 20 2.529 -9.619 6.373 1.00 0.00 H new ATOM 0 HA GLU A 20 3.267 -6.920 7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.853 -9.496 7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.181 -8.017 8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.664 -9.653 8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.053 -9.782 9.382 1.00 0.00 H new ATOM 173 N VAL A 21 4.837 -8.566 4.684 1.00 0.00 N ATOM 174 CA VAL A 21 5.670 -8.422 3.515 1.00 0.00 C ATOM 175 C VAL A 21 4.976 -7.493 2.533 1.00 0.00 C ATOM 176 O VAL A 21 5.582 -6.573 2.017 1.00 0.00 O ATOM 177 CB VAL A 21 5.958 -9.785 2.838 1.00 0.00 C ATOM 178 CG1 VAL A 21 6.807 -9.604 1.591 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.642 -10.739 3.806 1.00 0.00 C ATOM 0 H VAL A 21 4.517 -9.519 4.855 1.00 0.00 H new ATOM 0 HA VAL A 21 6.629 -8.006 3.824 1.00 0.00 H new ATOM 0 HB VAL A 21 5.002 -10.218 2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.995 -10.576 1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.280 -8.966 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.756 -9.140 1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.833 -11.689 3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.586 -10.306 4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.997 -10.906 4.669 1.00 0.00 H new ATOM 189 N PHE A 22 3.685 -7.673 2.409 1.00 0.00 N ATOM 190 CA PHE A 22 2.851 -6.903 1.501 1.00 0.00 C ATOM 191 C PHE A 22 2.853 -5.470 1.906 1.00 0.00 C ATOM 192 O PHE A 22 3.172 -4.591 1.094 1.00 0.00 O ATOM 193 CB PHE A 22 1.393 -7.452 1.468 1.00 0.00 C ATOM 194 CG PHE A 22 0.367 -6.434 1.043 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.370 -5.901 -0.223 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.560 -5.973 1.946 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.536 -4.929 -0.583 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.456 -5.006 1.595 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.452 -4.476 0.337 1.00 0.00 C ATOM 0 H PHE A 22 3.168 -8.371 2.944 1.00 0.00 H new ATOM 0 HA PHE A 22 3.265 -6.995 0.497 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.351 -8.302 0.787 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.133 -7.824 2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.093 -6.249 -0.946 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.580 -6.381 2.946 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.527 -4.524 -1.584 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.176 -4.656 2.320 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.162 -3.708 0.067 1.00 0.00 H new ATOM 209 N ARG A 23 2.519 -5.223 3.168 1.00 0.00 N ATOM 210 CA ARG A 23 2.494 -3.863 3.652 1.00 0.00 C ATOM 211 C ARG A 23 3.879 -3.226 3.533 1.00 0.00 C ATOM 212 O ARG A 23 3.977 -2.068 3.299 1.00 0.00 O ATOM 213 CB ARG A 23 1.898 -3.753 5.075 1.00 0.00 C ATOM 214 CG ARG A 23 2.771 -4.251 6.220 1.00 0.00 C ATOM 215 CD ARG A 23 3.657 -3.149 6.811 1.00 0.00 C ATOM 216 NE ARG A 23 2.876 -2.054 7.416 1.00 0.00 N ATOM 217 CZ ARG A 23 3.369 -1.127 8.262 1.00 0.00 C ATOM 218 NH1 ARG A 23 4.650 -1.158 8.634 1.00 0.00 N ATOM 219 NH2 ARG A 23 2.580 -0.163 8.727 1.00 0.00 N ATOM 0 H ARG A 23 2.268 -5.934 3.855 1.00 0.00 H new ATOM 0 HA ARG A 23 1.818 -3.292 3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.654 -2.707 5.262 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.960 -4.308 5.095 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.135 -4.660 7.005 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.401 -5.066 5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.313 -3.582 7.566 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.297 -2.743 6.027 1.00 0.00 H new ATOM 0 HE ARG A 23 1.887 -1.993 7.176 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.267 -1.888 8.278 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.012 -0.452 9.274 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.601 -0.124 8.444 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.954 0.538 9.367 1.00 0.00 H new ATOM 233 N LYS A 24 4.934 -4.028 3.627 1.00 0.00 N ATOM 234 CA LYS A 24 6.300 -3.533 3.526 1.00 0.00 C ATOM 235 C LYS A 24 6.591 -3.074 2.095 1.00 0.00 C ATOM 236 O LYS A 24 7.085 -1.950 1.882 1.00 0.00 O ATOM 237 CB LYS A 24 7.304 -4.634 4.004 1.00 0.00 C ATOM 238 CG LYS A 24 8.803 -4.256 3.986 1.00 0.00 C ATOM 239 CD LYS A 24 9.445 -4.353 2.590 1.00 0.00 C ATOM 240 CE LYS A 24 9.578 -5.802 2.122 1.00 0.00 C ATOM 241 NZ LYS A 24 10.172 -5.904 0.772 1.00 0.00 N ATOM 0 H LYS A 24 4.866 -5.035 3.775 1.00 0.00 H new ATOM 0 HA LYS A 24 6.424 -2.668 4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.037 -4.921 5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.167 -5.516 3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.917 -3.238 4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.342 -4.910 4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.842 -3.794 1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.430 -3.886 2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.195 -6.355 2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.595 -6.272 2.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.495 -6.361 0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.397 -4.952 0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.043 -6.471 0.818 1.00 0.00 H new ATOM 255 N GLU A 25 6.245 -3.931 1.116 1.00 0.00 N ATOM 256 CA GLU A 25 6.484 -3.644 -0.303 1.00 0.00 C ATOM 257 C GLU A 25 5.758 -2.394 -0.623 1.00 0.00 C ATOM 258 O GLU A 25 6.297 -1.448 -1.167 1.00 0.00 O ATOM 259 CB GLU A 25 5.829 -4.679 -1.165 1.00 0.00 C ATOM 260 CG GLU A 25 6.084 -6.086 -0.806 1.00 0.00 C ATOM 261 CD GLU A 25 7.238 -6.690 -1.529 1.00 0.00 C ATOM 262 OE1 GLU A 25 8.400 -6.411 -1.163 1.00 0.00 O ATOM 263 OE2 GLU A 25 7.011 -7.469 -2.478 1.00 0.00 O ATOM 0 H GLU A 25 5.797 -4.831 1.288 1.00 0.00 H new ATOM 0 HA GLU A 25 7.559 -3.602 -0.476 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.752 -4.510 -1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.155 -4.524 -2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.265 -6.151 0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.189 -6.673 -1.014 1.00 0.00 H new ATOM 270 N MET A 26 4.515 -2.417 -0.249 1.00 0.00 N ATOM 271 CA MET A 26 3.614 -1.340 -0.518 1.00 0.00 C ATOM 272 C MET A 26 3.962 -0.054 0.233 1.00 0.00 C ATOM 273 O MET A 26 3.775 1.005 -0.283 1.00 0.00 O ATOM 274 CB MET A 26 2.208 -1.789 -0.247 1.00 0.00 C ATOM 275 CG MET A 26 1.159 -0.764 -0.629 1.00 0.00 C ATOM 276 SD MET A 26 1.511 0.053 -2.217 1.00 0.00 S ATOM 277 CE MET A 26 1.082 -1.137 -3.469 1.00 0.00 C ATOM 0 H MET A 26 4.093 -3.195 0.258 1.00 0.00 H new ATOM 0 HA MET A 26 3.711 -1.081 -1.572 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.018 -2.712 -0.795 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.108 -2.021 0.813 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.186 -1.251 -0.685 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.093 -0.010 0.155 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.925 -1.273 -4.146 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.838 -2.089 -2.998 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.219 -0.779 -4.031 1.00 0.00 H new ATOM 287 N SER A 27 4.512 -0.166 1.425 1.00 0.00 N ATOM 288 CA SER A 27 4.933 1.007 2.153 1.00 0.00 C ATOM 289 C SER A 27 6.035 1.650 1.384 1.00 0.00 C ATOM 290 O SER A 27 6.053 2.841 1.207 1.00 0.00 O ATOM 291 CB SER A 27 5.411 0.706 3.591 1.00 0.00 C ATOM 292 OG SER A 27 4.365 0.236 4.415 1.00 0.00 O ATOM 0 H SER A 27 4.676 -1.051 1.905 1.00 0.00 H new ATOM 0 HA SER A 27 4.069 1.664 2.255 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.207 -0.037 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.836 1.610 4.027 1.00 0.00 H new ATOM 0 HG SER A 27 4.324 -0.742 4.366 1.00 0.00 H new ATOM 298 N GLN A 28 6.903 0.828 0.841 1.00 0.00 N ATOM 299 CA GLN A 28 8.044 1.308 0.114 1.00 0.00 C ATOM 300 C GLN A 28 7.592 1.895 -1.217 1.00 0.00 C ATOM 301 O GLN A 28 8.024 2.990 -1.615 1.00 0.00 O ATOM 302 CB GLN A 28 9.024 0.162 0.004 1.00 0.00 C ATOM 303 CG GLN A 28 9.375 -0.304 -1.356 1.00 0.00 C ATOM 304 CD GLN A 28 10.504 0.479 -2.042 1.00 0.00 C ATOM 305 OE1 GLN A 28 10.274 1.466 -2.741 1.00 0.00 O ATOM 306 NE2 GLN A 28 11.724 0.042 -1.851 1.00 0.00 N ATOM 0 H GLN A 28 6.834 -0.188 0.893 1.00 0.00 H new ATOM 0 HA GLN A 28 8.556 2.125 0.622 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.945 0.456 0.508 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.616 -0.685 0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.664 -1.354 -1.300 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.485 -0.251 -1.982 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.886 -0.778 -1.267 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.512 0.522 -2.286 1.00 0.00 H new ATOM 315 N PHE A 29 6.698 1.190 -1.857 1.00 0.00 N ATOM 316 CA PHE A 29 6.102 1.606 -3.105 1.00 0.00 C ATOM 317 C PHE A 29 5.349 2.941 -2.932 1.00 0.00 C ATOM 318 O PHE A 29 5.522 3.864 -3.727 1.00 0.00 O ATOM 319 CB PHE A 29 5.176 0.502 -3.625 1.00 0.00 C ATOM 320 CG PHE A 29 4.486 0.818 -4.904 1.00 0.00 C ATOM 321 CD1 PHE A 29 5.098 0.573 -6.114 1.00 0.00 C ATOM 322 CD2 PHE A 29 3.212 1.346 -4.897 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.448 0.851 -7.287 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.565 1.628 -6.060 1.00 0.00 C ATOM 325 CZ PHE A 29 3.178 1.381 -7.252 1.00 0.00 C ATOM 0 H PHE A 29 6.354 0.291 -1.521 1.00 0.00 H new ATOM 0 HA PHE A 29 6.888 1.772 -3.841 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.759 -0.409 -3.759 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.424 0.290 -2.865 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.095 0.160 -6.138 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.721 1.538 -3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.929 0.656 -8.234 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.569 2.046 -6.039 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.664 1.603 -8.176 1.00 0.00 H new ATOM 335 N ILE A 30 4.528 3.026 -1.906 1.00 0.00 N ATOM 336 CA ILE A 30 3.794 4.235 -1.581 1.00 0.00 C ATOM 337 C ILE A 30 4.736 5.348 -1.225 1.00 0.00 C ATOM 338 O ILE A 30 4.556 6.466 -1.681 1.00 0.00 O ATOM 339 CB ILE A 30 2.758 4.013 -0.458 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.627 3.158 -1.002 1.00 0.00 C ATOM 341 CG2 ILE A 30 2.229 5.345 0.084 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.682 2.653 0.039 1.00 0.00 C ATOM 0 H ILE A 30 4.349 2.251 -1.267 1.00 0.00 H new ATOM 0 HA ILE A 30 3.237 4.519 -2.474 1.00 0.00 H new ATOM 0 HB ILE A 30 3.236 3.500 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.066 3.740 -1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.054 2.307 -1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.502 5.154 0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.057 5.928 0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.752 5.902 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.094 2.052 -0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.226 2.041 0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.223 3.497 0.554 1.00 0.00 H new ATOM 354 N VAL A 31 5.744 5.046 -0.421 1.00 0.00 N ATOM 355 CA VAL A 31 6.787 6.018 -0.118 1.00 0.00 C ATOM 356 C VAL A 31 7.370 6.584 -1.414 1.00 0.00 C ATOM 357 O VAL A 31 7.451 7.795 -1.582 1.00 0.00 O ATOM 358 CB VAL A 31 7.901 5.401 0.790 1.00 0.00 C ATOM 359 CG1 VAL A 31 9.173 6.237 0.792 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.386 5.286 2.220 1.00 0.00 C ATOM 0 H VAL A 31 5.863 4.140 0.032 1.00 0.00 H new ATOM 0 HA VAL A 31 6.339 6.837 0.444 1.00 0.00 H new ATOM 0 HB VAL A 31 8.144 4.419 0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.916 5.767 1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.565 6.306 -0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.950 7.237 1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.162 4.856 2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.121 6.276 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.505 4.644 2.239 1.00 0.00 H new ATOM 370 N GLN A 32 7.687 5.706 -2.349 1.00 0.00 N ATOM 371 CA GLN A 32 8.211 6.084 -3.646 1.00 0.00 C ATOM 372 C GLN A 32 7.220 6.995 -4.367 1.00 0.00 C ATOM 373 O GLN A 32 7.587 8.017 -4.946 1.00 0.00 O ATOM 374 CB GLN A 32 8.436 4.822 -4.474 1.00 0.00 C ATOM 375 CG GLN A 32 8.973 5.067 -5.860 1.00 0.00 C ATOM 376 CD GLN A 32 10.472 5.384 -5.952 1.00 0.00 C ATOM 377 OE1 GLN A 32 11.095 5.100 -6.972 1.00 0.00 O ATOM 378 NE2 GLN A 32 11.078 5.884 -4.903 1.00 0.00 N ATOM 0 H GLN A 32 7.586 4.699 -2.226 1.00 0.00 H new ATOM 0 HA GLN A 32 9.152 6.619 -3.516 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.129 4.172 -3.940 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.492 4.283 -4.555 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.770 4.186 -6.468 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.419 5.895 -6.302 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.542 6.113 -4.066 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.085 6.044 -4.924 1.00 0.00 H new ATOM 387 N CYS A 33 5.972 6.611 -4.306 1.00 0.00 N ATOM 388 CA CYS A 33 4.890 7.342 -4.909 1.00 0.00 C ATOM 389 C CYS A 33 4.699 8.723 -4.283 1.00 0.00 C ATOM 390 O CYS A 33 4.380 9.665 -4.979 1.00 0.00 O ATOM 391 CB CYS A 33 3.610 6.534 -4.806 1.00 0.00 C ATOM 392 SG CYS A 33 3.648 4.990 -5.735 1.00 0.00 S ATOM 0 H CYS A 33 5.674 5.763 -3.825 1.00 0.00 H new ATOM 0 HA CYS A 33 5.143 7.502 -5.957 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.415 6.311 -3.757 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.778 7.141 -5.163 1.00 0.00 H new ATOM 0 HG CYS A 33 4.433 4.143 -5.138 1.00 0.00 H new ATOM 398 N LEU A 34 4.885 8.812 -2.983 1.00 0.00 N ATOM 399 CA LEU A 34 4.747 10.065 -2.239 1.00 0.00 C ATOM 400 C LEU A 34 5.972 10.962 -2.361 1.00 0.00 C ATOM 401 O LEU A 34 5.881 12.169 -2.134 1.00 0.00 O ATOM 402 CB LEU A 34 4.453 9.808 -0.769 1.00 0.00 C ATOM 403 CG LEU A 34 3.152 9.104 -0.438 1.00 0.00 C ATOM 404 CD1 LEU A 34 3.028 8.952 1.060 1.00 0.00 C ATOM 405 CD2 LEU A 34 1.971 9.875 -0.985 1.00 0.00 C ATOM 0 H LEU A 34 5.139 8.015 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 34 3.903 10.587 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.272 9.217 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.461 10.766 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 34 3.157 8.118 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.093 8.446 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.865 8.364 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.037 9.937 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.048 9.352 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.953 10.872 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.060 9.957 -2.068 1.00 0.00 H new ATOM 417 N ASN A 35 7.128 10.372 -2.657 1.00 0.00 N ATOM 418 CA ASN A 35 8.360 11.137 -2.911 1.00 0.00 C ATOM 419 C ASN A 35 8.214 12.423 -3.740 1.00 0.00 C ATOM 420 O ASN A 35 8.697 13.459 -3.319 1.00 0.00 O ATOM 421 CB ASN A 35 9.469 10.275 -3.444 1.00 0.00 C ATOM 422 CG ASN A 35 10.288 9.909 -2.295 1.00 0.00 C ATOM 423 OD1 ASN A 35 11.322 10.520 -2.013 1.00 0.00 O ATOM 424 ND2 ASN A 35 9.795 9.026 -1.551 1.00 0.00 N ATOM 0 H ASN A 35 7.244 9.361 -2.729 1.00 0.00 H new ATOM 0 HA ASN A 35 8.627 11.491 -1.915 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.070 9.388 -3.936 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.058 10.814 -4.186 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.252 8.787 -0.671 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.937 8.547 -1.827 1.00 0.00 H new ATOM 431 N PRO A 36 7.538 12.412 -4.921 1.00 0.00 N ATOM 432 CA PRO A 36 7.350 13.637 -5.706 1.00 0.00 C ATOM 433 C PRO A 36 6.447 14.668 -5.016 1.00 0.00 C ATOM 434 O PRO A 36 6.473 15.854 -5.355 1.00 0.00 O ATOM 435 CB PRO A 36 6.712 13.158 -7.013 1.00 0.00 C ATOM 436 CG PRO A 36 6.117 11.833 -6.694 1.00 0.00 C ATOM 437 CD PRO A 36 6.966 11.235 -5.612 1.00 0.00 C ATOM 0 HA PRO A 36 8.300 14.152 -5.848 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.952 13.858 -7.360 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.455 13.075 -7.807 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.084 11.941 -6.362 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.103 11.192 -7.575 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.375 10.621 -4.933 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.746 10.595 -6.024 1.00 0.00 H new ATOM 445 N TYR A 37 5.687 14.228 -4.039 1.00 0.00 N ATOM 446 CA TYR A 37 4.754 15.098 -3.353 1.00 0.00 C ATOM 447 C TYR A 37 5.431 15.828 -2.228 1.00 0.00 C ATOM 448 O TYR A 37 5.024 16.908 -1.853 1.00 0.00 O ATOM 449 CB TYR A 37 3.564 14.318 -2.805 1.00 0.00 C ATOM 450 CG TYR A 37 2.711 13.659 -3.852 1.00 0.00 C ATOM 451 CD1 TYR A 37 3.084 12.463 -4.404 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.522 14.229 -4.272 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.317 11.844 -5.346 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.738 13.621 -5.213 1.00 0.00 C ATOM 455 CZ TYR A 37 1.143 12.421 -5.752 1.00 0.00 C ATOM 456 OH TYR A 37 0.373 11.798 -6.706 1.00 0.00 O ATOM 0 H TYR A 37 5.696 13.267 -3.699 1.00 0.00 H new ATOM 0 HA TYR A 37 4.392 15.820 -4.085 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.932 13.553 -2.121 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.941 14.995 -2.221 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.006 12.000 -4.086 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.207 15.172 -3.849 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.634 10.903 -5.770 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.188 14.077 -5.530 1.00 0.00 H new ATOM 0 HH TYR A 37 0.140 12.440 -7.409 1.00 0.00 H new ATOM 466 N ARG A 38 6.488 15.252 -1.700 1.00 0.00 N ATOM 467 CA ARG A 38 7.170 15.859 -0.557 1.00 0.00 C ATOM 468 C ARG A 38 8.133 16.938 -0.995 1.00 0.00 C ATOM 469 O ARG A 38 8.699 17.673 -0.175 1.00 0.00 O ATOM 470 CB ARG A 38 7.890 14.819 0.282 1.00 0.00 C ATOM 471 CG ARG A 38 9.054 14.135 -0.391 1.00 0.00 C ATOM 472 CD ARG A 38 9.732 13.210 0.590 1.00 0.00 C ATOM 473 NE ARG A 38 10.918 12.543 0.051 1.00 0.00 N ATOM 474 CZ ARG A 38 12.065 12.344 0.730 1.00 0.00 C ATOM 475 NH1 ARG A 38 12.287 12.965 1.890 1.00 0.00 N ATOM 476 NH2 ARG A 38 13.000 11.572 0.214 1.00 0.00 N ATOM 0 H ARG A 38 6.896 14.378 -2.031 1.00 0.00 H new ATOM 0 HA ARG A 38 6.400 16.320 0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.249 15.298 1.193 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.170 14.059 0.584 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.707 13.572 -1.257 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.763 14.877 -0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.018 13.780 1.474 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.018 12.454 0.915 1.00 0.00 H new ATOM 0 HE ARG A 38 10.873 12.204 -0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.585 13.598 2.272 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.159 12.806 2.395 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.853 11.130 -0.693 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.871 11.417 0.722 1.00 0.00 H new ATOM 490 N LYS A 39 8.289 17.052 -2.269 1.00 0.00 N ATOM 491 CA LYS A 39 9.173 18.020 -2.850 1.00 0.00 C ATOM 492 C LYS A 39 8.481 19.363 -2.945 1.00 0.00 C ATOM 493 O LYS A 39 7.266 19.419 -3.103 1.00 0.00 O ATOM 494 CB LYS A 39 9.557 17.555 -4.226 1.00 0.00 C ATOM 495 CG LYS A 39 10.208 16.223 -4.186 1.00 0.00 C ATOM 496 CD LYS A 39 10.514 15.710 -5.546 1.00 0.00 C ATOM 497 CE LYS A 39 11.099 14.337 -5.424 1.00 0.00 C ATOM 498 NZ LYS A 39 12.468 14.372 -4.872 1.00 0.00 N ATOM 0 H LYS A 39 7.802 16.471 -2.951 1.00 0.00 H new ATOM 0 HA LYS A 39 10.061 18.126 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.669 17.509 -4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.234 18.279 -4.680 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.130 16.288 -3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.557 15.517 -3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.608 15.682 -6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.214 16.375 -6.051 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.464 13.727 -4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.114 13.860 -6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.932 13.456 -5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.012 15.124 -5.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.426 14.561 -3.850 1.00 0.00 H new ATOM 512 N PRO A 40 9.245 20.464 -2.929 1.00 0.00 N ATOM 513 CA PRO A 40 8.696 21.828 -3.013 1.00 0.00 C ATOM 514 C PRO A 40 8.246 22.162 -4.437 1.00 0.00 C ATOM 515 O PRO A 40 7.865 23.281 -4.744 1.00 0.00 O ATOM 516 CB PRO A 40 9.880 22.701 -2.596 1.00 0.00 C ATOM 517 CG PRO A 40 11.081 21.928 -3.014 1.00 0.00 C ATOM 518 CD PRO A 40 10.727 20.478 -2.845 1.00 0.00 C ATOM 0 HA PRO A 40 7.812 21.970 -2.391 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.846 23.675 -3.084 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.880 22.883 -1.521 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.343 22.146 -4.049 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.945 22.191 -2.404 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.178 19.863 -3.624 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.077 20.089 -1.889 1.00 0.00 H new ATOM 526 N ASP A 41 8.279 21.156 -5.281 1.00 0.00 N ATOM 527 CA ASP A 41 7.921 21.276 -6.679 1.00 0.00 C ATOM 528 C ASP A 41 6.514 20.745 -6.908 1.00 0.00 C ATOM 529 O ASP A 41 5.914 20.935 -7.969 1.00 0.00 O ATOM 530 CB ASP A 41 8.933 20.491 -7.514 1.00 0.00 C ATOM 531 CG ASP A 41 8.726 20.630 -8.996 1.00 0.00 C ATOM 532 OD1 ASP A 41 9.036 21.728 -9.546 1.00 0.00 O ATOM 533 OD2 ASP A 41 8.303 19.649 -9.652 1.00 0.00 O ATOM 0 H ASP A 41 8.560 20.213 -5.012 1.00 0.00 H new ATOM 0 HA ASP A 41 7.939 22.324 -6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.939 20.828 -7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.874 19.436 -7.245 1.00 0.00 H new ATOM 538 N CYS A 42 5.997 20.103 -5.897 1.00 0.00 N ATOM 539 CA CYS A 42 4.692 19.482 -5.963 1.00 0.00 C ATOM 540 C CYS A 42 3.580 20.524 -6.039 1.00 0.00 C ATOM 541 O CYS A 42 3.441 21.378 -5.155 1.00 0.00 O ATOM 542 CB CYS A 42 4.475 18.550 -4.784 1.00 0.00 C ATOM 543 SG CYS A 42 2.966 17.585 -4.873 1.00 0.00 S ATOM 0 H CYS A 42 6.466 19.992 -4.998 1.00 0.00 H new ATOM 0 HA CYS A 42 4.656 18.891 -6.878 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.324 17.870 -4.713 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.462 19.140 -3.867 1.00 0.00 H new ATOM 0 HG CYS A 42 3.183 16.503 -5.560 1.00 0.00 H new ATOM 549 N LYS A 43 2.807 20.447 -7.103 1.00 0.00 N ATOM 550 CA LYS A 43 1.716 21.367 -7.348 1.00 0.00 C ATOM 551 C LYS A 43 0.469 20.948 -6.580 1.00 0.00 C ATOM 552 O LYS A 43 -0.298 21.793 -6.116 1.00 0.00 O ATOM 553 CB LYS A 43 1.370 21.387 -8.838 1.00 0.00 C ATOM 554 CG LYS A 43 2.516 21.741 -9.764 1.00 0.00 C ATOM 555 CD LYS A 43 2.070 21.657 -11.211 1.00 0.00 C ATOM 556 CE LYS A 43 3.212 21.930 -12.175 1.00 0.00 C ATOM 557 NZ LYS A 43 2.791 21.813 -13.584 1.00 0.00 N ATOM 0 H LYS A 43 2.920 19.738 -7.828 1.00 0.00 H new ATOM 0 HA LYS A 43 2.037 22.355 -7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.988 20.406 -9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.562 22.101 -8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.872 22.747 -9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.352 21.063 -9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.659 20.667 -11.407 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.269 22.375 -11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.604 22.931 -11.997 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.025 21.230 -11.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.602 22.007 -14.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.440 20.850 -13.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.034 22.499 -13.778 1.00 0.00 H new ATOM 571 N VAL A 44 0.266 19.647 -6.463 1.00 0.00 N ATOM 572 CA VAL A 44 -0.941 19.105 -5.868 1.00 0.00 C ATOM 573 C VAL A 44 -0.598 18.055 -4.833 1.00 0.00 C ATOM 574 O VAL A 44 0.022 17.041 -5.150 1.00 0.00 O ATOM 575 CB VAL A 44 -1.890 18.471 -6.938 1.00 0.00 C ATOM 576 CG1 VAL A 44 -3.149 17.911 -6.292 1.00 0.00 C ATOM 577 CG2 VAL A 44 -2.264 19.475 -8.022 1.00 0.00 C ATOM 0 H VAL A 44 0.931 18.940 -6.777 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.461 19.939 -5.396 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.342 17.653 -7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.790 17.477 -7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.876 17.142 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.684 18.713 -5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.924 18.999 -8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.775 20.325 -7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.361 19.820 -8.525 1.00 0.00 H new ATOM 587 N GLY A 45 -1.036 18.292 -3.621 1.00 0.00 N ATOM 588 CA GLY A 45 -0.776 17.403 -2.532 1.00 0.00 C ATOM 589 C GLY A 45 0.663 17.456 -2.087 1.00 0.00 C ATOM 590 O GLY A 45 1.302 16.435 -1.947 1.00 0.00 O ATOM 0 H GLY A 45 -1.585 19.113 -3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.424 17.659 -1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.026 16.384 -2.829 1.00 0.00 H new ATOM 594 N ARG A 46 1.204 18.637 -1.890 1.00 0.00 N ATOM 595 CA ARG A 46 2.560 18.733 -1.429 1.00 0.00 C ATOM 596 C ARG A 46 2.661 18.383 0.044 1.00 0.00 C ATOM 597 O ARG A 46 2.007 18.992 0.892 1.00 0.00 O ATOM 598 CB ARG A 46 3.169 20.105 -1.698 1.00 0.00 C ATOM 599 CG ARG A 46 4.610 20.168 -1.250 1.00 0.00 C ATOM 600 CD ARG A 46 5.329 21.398 -1.721 1.00 0.00 C ATOM 601 NE ARG A 46 4.840 22.637 -1.145 1.00 0.00 N ATOM 602 CZ ARG A 46 5.553 23.411 -0.314 1.00 0.00 C ATOM 603 NH1 ARG A 46 6.655 22.931 0.287 1.00 0.00 N ATOM 604 NH2 ARG A 46 5.141 24.635 -0.038 1.00 0.00 N ATOM 0 H ARG A 46 0.731 19.528 -2.040 1.00 0.00 H new ATOM 0 HA ARG A 46 3.138 18.006 -2.000 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.108 20.329 -2.763 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.591 20.869 -1.178 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.646 20.130 -0.161 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.135 19.286 -1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.389 21.296 -1.487 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.247 21.459 -2.806 1.00 0.00 H new ATOM 0 HE ARG A 46 3.896 22.938 -1.387 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.954 21.972 0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.192 23.526 0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.281 24.990 -0.457 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.682 25.225 0.594 1.00 0.00 H new ATOM 618 N ILE A 47 3.464 17.402 0.335 1.00 0.00 N ATOM 619 CA ILE A 47 3.673 16.971 1.681 1.00 0.00 C ATOM 620 C ILE A 47 4.592 17.934 2.396 1.00 0.00 C ATOM 621 O ILE A 47 5.741 18.162 1.987 1.00 0.00 O ATOM 622 CB ILE A 47 4.213 15.524 1.770 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.279 14.584 0.999 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.338 15.108 3.222 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.722 13.145 0.960 1.00 0.00 C ATOM 0 H ILE A 47 3.994 16.877 -0.361 1.00 0.00 H new ATOM 0 HA ILE A 47 2.701 16.967 2.174 1.00 0.00 H new ATOM 0 HB ILE A 47 5.204 15.470 1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.287 14.632 1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.184 14.948 -0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.719 14.088 3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.026 15.780 3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.359 15.156 3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.000 12.557 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.699 13.078 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.788 12.757 1.976 1.00 0.00 H new ATOM 637 N THR A 48 4.063 18.493 3.425 1.00 0.00 N ATOM 638 CA THR A 48 4.697 19.458 4.268 1.00 0.00 C ATOM 639 C THR A 48 5.967 18.949 4.940 1.00 0.00 C ATOM 640 O THR A 48 7.070 19.457 4.696 1.00 0.00 O ATOM 641 CB THR A 48 3.686 19.819 5.337 1.00 0.00 C ATOM 642 OG1 THR A 48 3.032 18.602 5.746 1.00 0.00 O ATOM 643 CG2 THR A 48 2.656 20.719 4.781 1.00 0.00 C ATOM 0 H THR A 48 3.112 18.278 3.725 1.00 0.00 H new ATOM 0 HA THR A 48 5.003 20.306 3.655 1.00 0.00 H new ATOM 0 HB THR A 48 4.190 20.312 6.168 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.297 18.381 6.663 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.935 20.971 5.559 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.129 21.630 4.415 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.143 20.221 3.959 1.00 0.00 H new ATOM 651 N THR A 49 5.816 17.916 5.723 1.00 0.00 N ATOM 652 CA THR A 49 6.892 17.479 6.567 1.00 0.00 C ATOM 653 C THR A 49 7.096 15.978 6.416 1.00 0.00 C ATOM 654 O THR A 49 6.239 15.283 5.871 1.00 0.00 O ATOM 655 CB THR A 49 6.561 17.804 8.048 1.00 0.00 C ATOM 656 OG1 THR A 49 5.671 18.934 8.111 1.00 0.00 O ATOM 657 CG2 THR A 49 7.826 18.146 8.817 1.00 0.00 C ATOM 0 H THR A 49 4.962 17.364 5.794 1.00 0.00 H new ATOM 0 HA THR A 49 7.804 17.999 6.273 1.00 0.00 H new ATOM 0 HB THR A 49 6.092 16.926 8.492 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.744 18.624 8.048 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.572 18.371 9.853 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.511 17.298 8.787 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.304 19.015 8.364 1.00 0.00 H new ATOM 665 N THR A 50 8.223 15.503 6.867 1.00 0.00 N ATOM 666 CA THR A 50 8.575 14.107 6.848 1.00 0.00 C ATOM 667 C THR A 50 7.609 13.290 7.693 1.00 0.00 C ATOM 668 O THR A 50 7.180 12.224 7.289 1.00 0.00 O ATOM 669 CB THR A 50 10.029 13.943 7.353 1.00 0.00 C ATOM 670 OG1 THR A 50 10.475 12.580 7.289 1.00 0.00 O ATOM 671 CG2 THR A 50 10.209 14.490 8.762 1.00 0.00 C ATOM 0 H THR A 50 8.948 16.095 7.272 1.00 0.00 H new ATOM 0 HA THR A 50 8.507 13.734 5.826 1.00 0.00 H new ATOM 0 HB THR A 50 10.650 14.532 6.678 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.397 12.522 7.615 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.244 14.354 9.076 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.963 15.552 8.774 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.549 13.957 9.446 1.00 0.00 H new ATOM 679 N GLU A 51 7.237 13.828 8.848 1.00 0.00 N ATOM 680 CA GLU A 51 6.275 13.178 9.723 1.00 0.00 C ATOM 681 C GLU A 51 4.953 13.031 9.026 1.00 0.00 C ATOM 682 O GLU A 51 4.276 12.021 9.175 1.00 0.00 O ATOM 683 CB GLU A 51 6.103 13.925 11.032 1.00 0.00 C ATOM 684 CG GLU A 51 7.347 13.969 11.881 1.00 0.00 C ATOM 685 CD GLU A 51 7.086 14.568 13.230 1.00 0.00 C ATOM 686 OE1 GLU A 51 6.517 13.878 14.088 1.00 0.00 O ATOM 687 OE2 GLU A 51 7.452 15.731 13.454 1.00 0.00 O ATOM 0 H GLU A 51 7.590 14.718 9.200 1.00 0.00 H new ATOM 0 HA GLU A 51 6.665 12.189 9.962 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.786 14.946 10.817 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.302 13.456 11.603 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.739 12.959 12.003 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.115 14.549 11.369 1.00 0.00 H new ATOM 694 N ASP A 52 4.619 14.007 8.208 1.00 0.00 N ATOM 695 CA ASP A 52 3.381 13.983 7.457 1.00 0.00 C ATOM 696 C ASP A 52 3.469 12.976 6.365 1.00 0.00 C ATOM 697 O ASP A 52 2.530 12.227 6.114 1.00 0.00 O ATOM 698 CB ASP A 52 3.108 15.345 6.846 1.00 0.00 C ATOM 699 CG ASP A 52 2.722 16.392 7.850 1.00 0.00 C ATOM 700 OD1 ASP A 52 1.615 16.317 8.415 1.00 0.00 O ATOM 701 OD2 ASP A 52 3.511 17.324 8.081 1.00 0.00 O ATOM 0 H ASP A 52 5.193 14.834 8.045 1.00 0.00 H new ATOM 0 HA ASP A 52 2.571 13.721 8.138 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.997 15.678 6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.310 15.249 6.109 1.00 0.00 H new ATOM 706 N PHE A 53 4.619 12.954 5.738 1.00 0.00 N ATOM 707 CA PHE A 53 4.940 12.019 4.694 1.00 0.00 C ATOM 708 C PHE A 53 4.777 10.575 5.225 1.00 0.00 C ATOM 709 O PHE A 53 4.094 9.750 4.618 1.00 0.00 O ATOM 710 CB PHE A 53 6.377 12.279 4.209 1.00 0.00 C ATOM 711 CG PHE A 53 6.897 11.306 3.210 1.00 0.00 C ATOM 712 CD1 PHE A 53 7.534 10.148 3.617 1.00 0.00 C ATOM 713 CD2 PHE A 53 6.743 11.540 1.872 1.00 0.00 C ATOM 714 CE1 PHE A 53 8.001 9.250 2.696 1.00 0.00 C ATOM 715 CE2 PHE A 53 7.211 10.650 0.945 1.00 0.00 C ATOM 716 CZ PHE A 53 7.837 9.505 1.351 1.00 0.00 C ATOM 0 H PHE A 53 5.376 13.604 5.947 1.00 0.00 H new ATOM 0 HA PHE A 53 4.262 12.147 3.850 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.421 13.278 3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.041 12.277 5.074 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.664 9.951 4.671 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.245 12.440 1.542 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.495 8.346 3.021 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.086 10.852 -0.108 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.203 8.800 0.619 1.00 0.00 H new ATOM 726 N LYS A 54 5.377 10.322 6.367 1.00 0.00 N ATOM 727 CA LYS A 54 5.336 9.026 7.014 1.00 0.00 C ATOM 728 C LYS A 54 3.933 8.664 7.439 1.00 0.00 C ATOM 729 O LYS A 54 3.494 7.530 7.239 1.00 0.00 O ATOM 730 CB LYS A 54 6.275 9.023 8.220 1.00 0.00 C ATOM 731 CG LYS A 54 7.735 9.195 7.823 1.00 0.00 C ATOM 732 CD LYS A 54 8.661 9.267 9.020 1.00 0.00 C ATOM 733 CE LYS A 54 8.685 7.972 9.809 1.00 0.00 C ATOM 734 NZ LYS A 54 9.595 8.067 10.956 1.00 0.00 N ATOM 0 H LYS A 54 5.915 11.020 6.881 1.00 0.00 H new ATOM 0 HA LYS A 54 5.666 8.275 6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.990 9.826 8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.158 8.086 8.765 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.035 8.363 7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.842 10.104 7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.670 9.502 8.682 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.345 10.081 9.672 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.679 7.737 10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.997 7.153 9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.591 7.167 11.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.558 8.268 10.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.281 8.833 11.585 1.00 0.00 H new ATOM 748 N HIS A 55 3.202 9.648 7.961 1.00 0.00 N ATOM 749 CA HIS A 55 1.826 9.452 8.418 1.00 0.00 C ATOM 750 C HIS A 55 0.977 9.023 7.253 1.00 0.00 C ATOM 751 O HIS A 55 0.210 8.054 7.346 1.00 0.00 O ATOM 752 CB HIS A 55 1.261 10.756 9.016 1.00 0.00 C ATOM 753 CG HIS A 55 -0.180 10.672 9.481 1.00 0.00 C ATOM 754 ND1 HIS A 55 -0.546 10.157 10.700 1.00 0.00 N ATOM 755 CD2 HIS A 55 -1.346 11.028 8.865 1.00 0.00 C ATOM 756 CE1 HIS A 55 -1.848 10.185 10.829 1.00 0.00 C ATOM 757 NE2 HIS A 55 -2.370 10.707 9.730 1.00 0.00 N ATOM 0 H HIS A 55 3.545 10.601 8.079 1.00 0.00 H new ATOM 0 HA HIS A 55 1.815 8.684 9.191 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.884 11.051 9.861 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.341 11.546 8.269 1.00 0.00 H new ATOM 0 HD1 HIS A 55 0.103 9.804 11.403 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.446 11.475 7.887 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.404 9.840 11.688 1.00 0.00 H new ATOM 765 N LEU A 56 1.120 9.722 6.173 1.00 0.00 N ATOM 766 CA LEU A 56 0.359 9.439 5.010 1.00 0.00 C ATOM 767 C LEU A 56 0.755 8.114 4.389 1.00 0.00 C ATOM 768 O LEU A 56 -0.127 7.335 4.029 1.00 0.00 O ATOM 769 CB LEU A 56 0.456 10.545 3.977 1.00 0.00 C ATOM 770 CG LEU A 56 -0.854 11.094 3.403 1.00 0.00 C ATOM 771 CD1 LEU A 56 -0.647 11.662 2.010 1.00 0.00 C ATOM 772 CD2 LEU A 56 -2.039 10.129 3.501 1.00 0.00 C ATOM 0 H LEU A 56 1.768 10.504 6.077 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.679 9.373 5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.002 11.376 4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.059 10.178 3.147 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.147 11.922 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.594 12.044 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.081 12.472 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.279 10.878 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.925 10.596 3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.810 9.215 2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.226 9.888 4.547 1.00 0.00 H new ATOM 784 N ALA A 57 2.068 7.829 4.284 1.00 0.00 N ATOM 785 CA ALA A 57 2.520 6.549 3.719 1.00 0.00 C ATOM 786 C ALA A 57 1.884 5.395 4.489 1.00 0.00 C ATOM 787 O ALA A 57 1.398 4.418 3.893 1.00 0.00 O ATOM 788 CB ALA A 57 4.035 6.436 3.690 1.00 0.00 C ATOM 0 H ALA A 57 2.818 8.455 4.577 1.00 0.00 H new ATOM 0 HA ALA A 57 2.194 6.501 2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.320 5.474 3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.448 7.239 3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.425 6.514 4.705 1.00 0.00 H new ATOM 794 N ARG A 58 1.802 5.566 5.798 1.00 0.00 N ATOM 795 CA ARG A 58 1.184 4.557 6.673 1.00 0.00 C ATOM 796 C ARG A 58 -0.283 4.402 6.343 1.00 0.00 C ATOM 797 O ARG A 58 -0.765 3.280 6.098 1.00 0.00 O ATOM 798 CB ARG A 58 1.309 4.939 8.140 1.00 0.00 C ATOM 799 CG ARG A 58 2.714 4.956 8.664 1.00 0.00 C ATOM 800 CD ARG A 58 2.743 5.471 10.080 1.00 0.00 C ATOM 801 NE ARG A 58 4.118 5.537 10.603 1.00 0.00 N ATOM 802 CZ ARG A 58 4.493 6.125 11.754 1.00 0.00 C ATOM 803 NH1 ARG A 58 3.595 6.761 12.506 1.00 0.00 N ATOM 804 NH2 ARG A 58 5.775 6.092 12.134 1.00 0.00 N ATOM 0 H ARG A 58 2.152 6.390 6.287 1.00 0.00 H new ATOM 0 HA ARG A 58 1.711 3.618 6.502 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.870 5.926 8.283 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.722 4.240 8.735 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.134 3.951 8.628 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.338 5.585 8.029 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.291 6.462 10.117 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.141 4.822 10.717 1.00 0.00 H new ATOM 0 HE ARG A 58 4.850 5.099 10.044 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.620 6.803 12.210 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.883 7.205 13.378 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.468 5.621 11.552 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.060 6.537 13.006 1.00 0.00 H new ATOM 818 N LYS A 59 -0.981 5.536 6.309 1.00 0.00 N ATOM 819 CA LYS A 59 -2.408 5.579 6.025 1.00 0.00 C ATOM 820 C LYS A 59 -2.747 4.884 4.713 1.00 0.00 C ATOM 821 O LYS A 59 -3.631 4.033 4.655 1.00 0.00 O ATOM 822 CB LYS A 59 -2.920 7.026 5.934 1.00 0.00 C ATOM 823 CG LYS A 59 -3.111 7.765 7.244 1.00 0.00 C ATOM 824 CD LYS A 59 -4.222 7.138 8.070 1.00 0.00 C ATOM 825 CE LYS A 59 -4.671 8.059 9.191 1.00 0.00 C ATOM 826 NZ LYS A 59 -5.306 9.294 8.670 1.00 0.00 N ATOM 0 H LYS A 59 -0.568 6.453 6.479 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.892 5.060 6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.222 7.596 5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.874 7.017 5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.180 7.752 7.811 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.348 8.810 7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.070 6.908 7.425 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.876 6.194 8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.376 7.532 9.834 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.813 8.324 9.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.875 9.735 9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.569 9.959 8.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.920 9.056 7.865 1.00 0.00 H new ATOM 840 N LEU A 60 -2.038 5.257 3.676 1.00 0.00 N ATOM 841 CA LEU A 60 -2.313 4.782 2.330 1.00 0.00 C ATOM 842 C LEU A 60 -2.040 3.314 2.189 1.00 0.00 C ATOM 843 O LEU A 60 -2.851 2.582 1.603 1.00 0.00 O ATOM 844 CB LEU A 60 -1.529 5.616 1.358 1.00 0.00 C ATOM 845 CG LEU A 60 -1.865 7.084 1.494 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.808 7.982 0.883 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.229 7.365 0.910 1.00 0.00 C ATOM 0 H LEU A 60 -1.249 5.901 3.736 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.374 4.897 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.462 5.468 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.739 5.286 0.341 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.885 7.317 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.100 9.025 1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.147 7.810 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.710 7.758 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.458 8.425 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.235 7.095 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.979 6.778 1.439 1.00 0.00 H new ATOM 859 N THR A 61 -0.917 2.873 2.763 1.00 0.00 N ATOM 860 CA THR A 61 -0.574 1.460 2.764 1.00 0.00 C ATOM 861 C THR A 61 -1.680 0.692 3.441 1.00 0.00 C ATOM 862 O THR A 61 -2.137 -0.341 2.963 1.00 0.00 O ATOM 863 CB THR A 61 0.763 1.205 3.523 1.00 0.00 C ATOM 864 OG1 THR A 61 1.809 1.983 2.933 1.00 0.00 O ATOM 865 CG2 THR A 61 1.149 -0.269 3.463 1.00 0.00 C ATOM 0 H THR A 61 -0.238 3.475 3.229 1.00 0.00 H new ATOM 0 HA THR A 61 -0.451 1.131 1.732 1.00 0.00 H new ATOM 0 HB THR A 61 0.623 1.493 4.565 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.887 2.838 3.406 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.085 -0.422 4.000 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.365 -0.870 3.923 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.273 -0.570 2.423 1.00 0.00 H new ATOM 873 N HIS A 62 -2.171 1.275 4.502 1.00 0.00 N ATOM 874 CA HIS A 62 -3.181 0.645 5.312 1.00 0.00 C ATOM 875 C HIS A 62 -4.536 0.610 4.575 1.00 0.00 C ATOM 876 O HIS A 62 -5.279 -0.371 4.693 1.00 0.00 O ATOM 877 CB HIS A 62 -3.268 1.344 6.674 1.00 0.00 C ATOM 878 CG HIS A 62 -4.172 0.729 7.708 1.00 0.00 C ATOM 879 ND1 HIS A 62 -3.729 -0.162 8.667 1.00 0.00 N ATOM 880 CD2 HIS A 62 -5.486 0.923 7.966 1.00 0.00 C ATOM 881 CE1 HIS A 62 -4.720 -0.488 9.460 1.00 0.00 C ATOM 882 NE2 HIS A 62 -5.802 0.155 9.061 1.00 0.00 N ATOM 0 H HIS A 62 -1.884 2.197 4.829 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.903 -0.393 5.493 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.263 1.395 7.092 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.596 2.370 6.506 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.160 1.562 7.415 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.662 -1.167 10.298 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.723 0.092 9.495 1.00 0.00 H new ATOM 890 N GLY A 63 -4.830 1.645 3.811 1.00 0.00 N ATOM 891 CA GLY A 63 -6.085 1.707 3.094 1.00 0.00 C ATOM 892 C GLY A 63 -6.159 0.751 1.926 1.00 0.00 C ATOM 893 O GLY A 63 -7.142 0.045 1.796 1.00 0.00 O ATOM 0 H GLY A 63 -4.219 2.450 3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.900 1.489 3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.238 2.724 2.732 1.00 0.00 H new ATOM 897 N VAL A 64 -5.100 0.670 1.108 1.00 0.00 N ATOM 898 CA VAL A 64 -5.125 -0.247 -0.064 1.00 0.00 C ATOM 899 C VAL A 64 -5.220 -1.673 0.448 1.00 0.00 C ATOM 900 O VAL A 64 -6.005 -2.478 -0.047 1.00 0.00 O ATOM 901 CB VAL A 64 -3.867 -0.102 -0.982 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.890 -1.129 -2.142 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.781 1.313 -1.541 1.00 0.00 C ATOM 0 H VAL A 64 -4.238 1.204 1.220 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.988 0.015 -0.676 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.986 -0.302 -0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.001 -1.000 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.904 -2.139 -1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.781 -0.971 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.901 1.400 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.675 1.528 -2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.706 2.025 -0.719 1.00 0.00 H new ATOM 913 N MET A 65 -4.517 -1.888 1.543 1.00 0.00 N ATOM 914 CA MET A 65 -4.440 -3.169 2.225 1.00 0.00 C ATOM 915 C MET A 65 -5.819 -3.597 2.687 1.00 0.00 C ATOM 916 O MET A 65 -6.259 -4.704 2.421 1.00 0.00 O ATOM 917 CB MET A 65 -3.488 -3.047 3.410 1.00 0.00 C ATOM 918 CG MET A 65 -3.492 -4.188 4.383 1.00 0.00 C ATOM 919 SD MET A 65 -2.327 -3.884 5.718 1.00 0.00 S ATOM 920 CE MET A 65 -2.847 -5.140 6.843 1.00 0.00 C ATOM 0 H MET A 65 -3.968 -1.158 1.997 1.00 0.00 H new ATOM 0 HA MET A 65 -4.062 -3.928 1.540 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.475 -2.929 3.025 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.731 -2.133 3.952 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.494 -4.322 4.791 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.231 -5.113 3.869 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.230 -5.103 7.741 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.890 -4.977 7.113 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.743 -6.117 6.371 1.00 0.00 H new ATOM 930 N ASN A 66 -6.492 -2.696 3.345 1.00 0.00 N ATOM 931 CA ASN A 66 -7.813 -2.939 3.863 1.00 0.00 C ATOM 932 C ASN A 66 -8.836 -3.118 2.764 1.00 0.00 C ATOM 933 O ASN A 66 -9.663 -4.039 2.826 1.00 0.00 O ATOM 934 CB ASN A 66 -8.202 -1.853 4.852 1.00 0.00 C ATOM 935 CG ASN A 66 -7.831 -2.208 6.265 1.00 0.00 C ATOM 936 OD1 ASN A 66 -8.623 -2.793 7.003 1.00 0.00 O ATOM 937 ND2 ASN A 66 -6.635 -1.880 6.648 1.00 0.00 N ATOM 0 H ASN A 66 -6.136 -1.760 3.540 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.795 -3.886 4.402 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.713 -0.919 4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.277 -1.680 4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.322 -2.107 7.592 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.009 -1.395 6.005 1.00 0.00 H new ATOM 944 N LYS A 67 -8.759 -2.293 1.734 1.00 0.00 N ATOM 945 CA LYS A 67 -9.681 -2.399 0.619 1.00 0.00 C ATOM 946 C LYS A 67 -9.576 -3.740 -0.055 1.00 0.00 C ATOM 947 O LYS A 67 -10.599 -4.381 -0.332 1.00 0.00 O ATOM 948 CB LYS A 67 -9.544 -1.259 -0.407 1.00 0.00 C ATOM 949 CG LYS A 67 -10.388 -0.015 -0.112 1.00 0.00 C ATOM 950 CD LYS A 67 -9.986 0.695 1.165 1.00 0.00 C ATOM 951 CE LYS A 67 -10.879 1.890 1.457 1.00 0.00 C ATOM 952 NZ LYS A 67 -10.902 2.872 0.358 1.00 0.00 N ATOM 0 H LYS A 67 -8.070 -1.546 1.648 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.676 -2.301 1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.496 -0.964 -0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.819 -1.641 -1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.303 0.680 -0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.437 -0.304 -0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.033 -0.005 1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.951 1.027 1.085 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.894 1.541 1.647 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.535 2.380 2.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.370 3.743 0.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.928 3.090 0.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.425 2.477 -0.450 1.00 0.00 H new ATOM 966 N GLU A 68 -8.371 -4.209 -0.275 1.00 0.00 N ATOM 967 CA GLU A 68 -8.234 -5.449 -0.912 1.00 0.00 C ATOM 968 C GLU A 68 -8.487 -6.586 0.020 1.00 0.00 C ATOM 969 O GLU A 68 -9.086 -7.530 -0.369 1.00 0.00 O ATOM 970 CB GLU A 68 -6.975 -5.563 -1.694 1.00 0.00 C ATOM 971 CG GLU A 68 -5.689 -5.390 -0.938 1.00 0.00 C ATOM 972 CD GLU A 68 -4.555 -5.417 -1.900 1.00 0.00 C ATOM 973 OE1 GLU A 68 -4.505 -4.505 -2.763 1.00 0.00 O ATOM 974 OE2 GLU A 68 -3.772 -6.391 -1.890 1.00 0.00 O ATOM 0 H GLU A 68 -7.500 -3.744 -0.019 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.021 -5.512 -1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.959 -6.543 -2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.002 -4.821 -2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.697 -4.447 -0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.576 -6.184 -0.200 1.00 0.00 H new ATOM 981 N LEU A 69 -8.082 -6.485 1.272 1.00 0.00 N ATOM 982 CA LEU A 69 -8.451 -7.519 2.249 1.00 0.00 C ATOM 983 C LEU A 69 -9.959 -7.715 2.330 1.00 0.00 C ATOM 984 O LEU A 69 -10.424 -8.819 2.632 1.00 0.00 O ATOM 985 CB LEU A 69 -7.864 -7.252 3.636 1.00 0.00 C ATOM 986 CG LEU A 69 -6.373 -7.534 3.797 1.00 0.00 C ATOM 987 CD1 LEU A 69 -5.899 -7.120 5.173 1.00 0.00 C ATOM 988 CD2 LEU A 69 -6.090 -9.011 3.570 1.00 0.00 C ATOM 0 H LEU A 69 -7.512 -5.723 1.640 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.011 -8.447 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.046 -6.208 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.408 -7.856 4.362 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.830 -6.951 3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.833 -7.329 5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.074 -6.053 5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.448 -7.679 5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.023 -9.199 3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.645 -9.604 4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.399 -9.290 2.563 1.00 0.00 H new ATOM 1000 N LYS A 70 -10.721 -6.669 2.042 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.165 -6.809 1.974 1.00 0.00 C ATOM 1002 C LYS A 70 -12.565 -7.513 0.697 1.00 0.00 C ATOM 1003 O LYS A 70 -13.235 -8.543 0.717 1.00 0.00 O ATOM 1004 CB LYS A 70 -12.859 -5.460 1.961 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.666 -4.626 3.173 1.00 0.00 C ATOM 1006 CD LYS A 70 -13.524 -3.380 3.066 1.00 0.00 C ATOM 1007 CE LYS A 70 -13.385 -2.473 4.268 1.00 0.00 C ATOM 1008 NZ LYS A 70 -14.317 -1.325 4.187 1.00 0.00 N ATOM 0 H LYS A 70 -10.369 -5.730 1.855 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.463 -7.377 2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.506 -4.899 1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.928 -5.623 1.821 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.936 -5.192 4.065 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.616 -4.351 3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.248 -2.830 2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.568 -3.671 2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.581 -3.040 5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.360 -2.108 4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.198 -0.721 5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.113 -0.772 3.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.296 -1.675 4.148 1.00 0.00 H new ATOM 1022 N TYR A 71 -12.103 -6.964 -0.408 1.00 0.00 N ATOM 1023 CA TYR A 71 -12.529 -7.391 -1.745 1.00 0.00 C ATOM 1024 C TYR A 71 -11.924 -8.727 -2.143 1.00 0.00 C ATOM 1025 O TYR A 71 -12.481 -9.448 -2.962 1.00 0.00 O ATOM 1026 CB TYR A 71 -12.196 -6.304 -2.800 1.00 0.00 C ATOM 1027 CG TYR A 71 -12.781 -4.910 -2.506 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -13.662 -4.698 -1.446 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -12.421 -3.810 -3.274 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -14.163 -3.454 -1.162 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -12.922 -2.547 -2.992 1.00 0.00 C ATOM 1032 CZ TYR A 71 -13.792 -2.377 -1.933 1.00 0.00 C ATOM 1033 OH TYR A 71 -14.288 -1.117 -1.641 1.00 0.00 O ATOM 0 H TYR A 71 -11.420 -6.207 -0.415 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.610 -7.526 -1.708 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.112 -6.217 -2.880 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -12.562 -6.638 -3.771 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.957 -5.536 -0.832 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -11.741 -3.940 -4.103 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.846 -3.320 -0.336 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.633 -1.701 -3.598 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.927 -0.467 -2.280 1.00 0.00 H new ATOM 1043 N CYS A 72 -10.820 -9.053 -1.557 1.00 0.00 N ATOM 1044 CA CYS A 72 -10.128 -10.307 -1.818 1.00 0.00 C ATOM 1045 C CYS A 72 -10.567 -11.360 -0.837 1.00 0.00 C ATOM 1046 O CYS A 72 -10.574 -12.565 -1.152 1.00 0.00 O ATOM 1047 CB CYS A 72 -8.612 -10.109 -1.721 1.00 0.00 C ATOM 1048 SG CYS A 72 -7.904 -9.115 -3.044 1.00 0.00 S ATOM 0 H CYS A 72 -10.353 -8.460 -0.871 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.379 -10.635 -2.827 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.380 -9.638 -0.766 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.130 -11.087 -1.720 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.583 -9.885 -4.041 1.00 0.00 H new ATOM 1054 N LYS A 73 -10.941 -10.891 0.361 1.00 0.00 N ATOM 1055 CA LYS A 73 -11.394 -11.691 1.508 1.00 0.00 C ATOM 1056 C LYS A 73 -10.254 -12.523 2.096 1.00 0.00 C ATOM 1057 O LYS A 73 -9.980 -12.464 3.302 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.645 -12.576 1.215 1.00 0.00 C ATOM 1059 CG LYS A 73 -13.887 -11.819 0.703 1.00 0.00 C ATOM 1060 CD LYS A 73 -13.844 -11.617 -0.799 1.00 0.00 C ATOM 1061 CE LYS A 73 -15.042 -10.856 -1.321 1.00 0.00 C ATOM 1062 NZ LYS A 73 -14.973 -10.696 -2.791 1.00 0.00 N ATOM 0 H LYS A 73 -10.936 -9.892 0.567 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.716 -10.965 2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.371 -13.330 0.477 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.915 -13.107 2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.786 -12.374 0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.952 -10.850 1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.934 -11.079 -1.063 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.794 -12.589 -1.291 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.957 -11.384 -1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.088 -9.875 -0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.823 -10.200 -3.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.129 -10.143 -3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.918 -11.633 -3.240 1.00 0.00 H new ATOM 1076 N ASN A 74 -9.581 -13.243 1.241 1.00 0.00 N ATOM 1077 CA ASN A 74 -8.488 -14.112 1.609 1.00 0.00 C ATOM 1078 C ASN A 74 -7.171 -13.472 1.187 1.00 0.00 C ATOM 1079 O ASN A 74 -7.004 -13.088 0.033 1.00 0.00 O ATOM 1080 CB ASN A 74 -8.612 -15.488 0.924 1.00 0.00 C ATOM 1081 CG ASN A 74 -9.921 -16.204 1.209 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -10.543 -16.021 2.258 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -10.338 -17.033 0.297 1.00 0.00 N ATOM 0 H ASN A 74 -9.780 -13.244 0.241 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.518 -14.255 2.689 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.508 -15.357 -0.153 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.786 -16.120 1.249 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.203 -17.554 0.439 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.800 -17.161 -0.560 1.00 0.00 H new ATOM 1090 N PRO A 75 -6.215 -13.348 2.111 1.00 0.00 N ATOM 1091 CA PRO A 75 -4.884 -12.741 1.837 1.00 0.00 C ATOM 1092 C PRO A 75 -3.973 -13.550 0.966 1.00 0.00 C ATOM 1093 O PRO A 75 -2.844 -13.159 0.688 1.00 0.00 O ATOM 1094 CB PRO A 75 -4.248 -12.627 3.141 1.00 0.00 C ATOM 1095 CG PRO A 75 -4.986 -13.603 4.033 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.367 -13.706 3.518 1.00 0.00 C ATOM 0 HA PRO A 75 -5.046 -11.806 1.301 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.187 -12.871 3.084 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.321 -11.610 3.526 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.498 -14.578 4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.985 -13.256 5.066 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.770 -14.712 3.638 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.044 -13.028 4.037 1.00 0.00 H new ATOM 1104 N GLU A 76 -4.438 -14.663 0.568 1.00 0.00 N ATOM 1105 CA GLU A 76 -3.778 -15.487 -0.434 1.00 0.00 C ATOM 1106 C GLU A 76 -3.718 -14.694 -1.748 1.00 0.00 C ATOM 1107 O GLU A 76 -2.868 -14.907 -2.619 1.00 0.00 O ATOM 1108 CB GLU A 76 -4.579 -16.752 -0.617 1.00 0.00 C ATOM 1109 CG GLU A 76 -4.020 -17.743 -1.599 1.00 0.00 C ATOM 1110 CD GLU A 76 -4.914 -18.928 -1.702 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -5.895 -18.866 -2.474 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -4.683 -19.917 -0.987 1.00 0.00 O ATOM 0 H GLU A 76 -5.308 -15.063 0.920 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.766 -15.748 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.674 -17.243 0.352 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.585 -16.480 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.912 -17.274 -2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.025 -18.056 -1.284 1.00 0.00 H new ATOM 1119 N ASP A 77 -4.565 -13.717 -1.798 1.00 0.00 N ATOM 1120 CA ASP A 77 -4.757 -12.899 -2.966 1.00 0.00 C ATOM 1121 C ASP A 77 -4.254 -11.489 -2.662 1.00 0.00 C ATOM 1122 O ASP A 77 -4.373 -10.579 -3.458 1.00 0.00 O ATOM 1123 CB ASP A 77 -6.247 -12.906 -3.324 1.00 0.00 C ATOM 1124 CG ASP A 77 -6.563 -12.317 -4.680 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -5.998 -12.790 -5.695 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -7.431 -11.432 -4.778 1.00 0.00 O ATOM 0 H ASP A 77 -5.160 -13.454 -1.012 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.198 -13.283 -3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.612 -13.933 -3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.794 -12.350 -2.563 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.655 -11.347 -1.491 1.00 0.00 N ATOM 1132 CA LEU A 78 -3.093 -10.137 -1.021 1.00 0.00 C ATOM 1133 C LEU A 78 -1.600 -10.195 -1.285 1.00 0.00 C ATOM 1134 O LEU A 78 -0.873 -11.017 -0.701 1.00 0.00 O ATOM 1135 CB LEU A 78 -3.326 -10.076 0.457 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.755 -8.913 1.193 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.656 -7.714 1.152 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.419 -9.286 2.582 1.00 0.00 C ATOM 0 H LEU A 78 -3.554 -12.117 -0.830 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.532 -9.268 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.402 -10.088 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.922 -10.986 0.900 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.835 -8.628 0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.195 -6.894 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.814 -7.413 0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.614 -7.963 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.004 -8.422 3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.320 -9.620 3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.685 -10.092 2.575 1.00 0.00 H new ATOM 1150 N GLU A 79 -1.189 -9.428 -2.203 1.00 0.00 N ATOM 1151 CA GLU A 79 0.155 -9.306 -2.611 1.00 0.00 C ATOM 1152 C GLU A 79 0.327 -7.921 -3.134 1.00 0.00 C ATOM 1153 O GLU A 79 -0.566 -7.409 -3.769 1.00 0.00 O ATOM 1154 CB GLU A 79 0.366 -10.249 -3.754 1.00 0.00 C ATOM 1155 CG GLU A 79 1.696 -10.156 -4.422 1.00 0.00 C ATOM 1156 CD GLU A 79 2.850 -10.481 -3.511 1.00 0.00 C ATOM 1157 OE1 GLU A 79 3.276 -9.599 -2.740 1.00 0.00 O ATOM 1158 OE2 GLU A 79 3.362 -11.612 -3.563 1.00 0.00 O ATOM 0 H GLU A 79 -1.819 -8.824 -2.730 1.00 0.00 H new ATOM 0 HA GLU A 79 0.845 -9.517 -1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.231 -11.268 -3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.409 -10.070 -4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.714 -10.835 -5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.827 -9.148 -4.815 1.00 0.00 H new ATOM 1165 N CYS A 80 1.479 -7.349 -2.937 1.00 0.00 N ATOM 1166 CA CYS A 80 1.773 -6.072 -3.502 1.00 0.00 C ATOM 1167 C CYS A 80 2.247 -6.328 -4.896 1.00 0.00 C ATOM 1168 O CYS A 80 3.450 -6.381 -5.186 1.00 0.00 O ATOM 1169 CB CYS A 80 2.800 -5.266 -2.676 1.00 0.00 C ATOM 1170 SG CYS A 80 3.347 -3.715 -3.443 1.00 0.00 S ATOM 0 H CYS A 80 2.234 -7.754 -2.384 1.00 0.00 H new ATOM 0 HA CYS A 80 0.881 -5.446 -3.500 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.365 -5.040 -1.703 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.673 -5.893 -2.496 1.00 0.00 H new ATOM 0 HG CYS A 80 2.605 -3.458 -4.479 1.00 0.00 H new ATOM 1176 N ASN A 81 1.303 -6.642 -5.729 1.00 0.00 N ATOM 1177 CA ASN A 81 1.599 -6.972 -7.088 1.00 0.00 C ATOM 1178 C ASN A 81 1.268 -5.783 -7.936 1.00 0.00 C ATOM 1179 O ASN A 81 0.846 -4.777 -7.436 1.00 0.00 O ATOM 1180 CB ASN A 81 0.795 -8.164 -7.582 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.695 -7.821 -7.697 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.119 -7.281 -8.623 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.439 -8.098 -6.763 1.00 0.00 N ATOM 0 H ASN A 81 0.312 -6.677 -5.488 1.00 0.00 H new ATOM 0 HA ASN A 81 2.654 -7.238 -7.154 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.173 -8.483 -8.553 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.926 -9.002 -6.898 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.428 -7.851 -6.808 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.070 -8.576 -5.941 1.00 0.00 H new ATOM 1190 N GLU A 82 1.433 -5.956 -9.196 1.00 0.00 N ATOM 1191 CA GLU A 82 1.139 -4.995 -10.246 1.00 0.00 C ATOM 1192 C GLU A 82 -0.253 -4.380 -10.159 1.00 0.00 C ATOM 1193 O GLU A 82 -0.388 -3.179 -10.170 1.00 0.00 O ATOM 1194 CB GLU A 82 1.292 -5.706 -11.531 1.00 0.00 C ATOM 1195 CG GLU A 82 2.735 -5.796 -12.013 1.00 0.00 C ATOM 1196 CD GLU A 82 3.668 -6.413 -11.000 1.00 0.00 C ATOM 1197 OE1 GLU A 82 3.429 -7.555 -10.581 1.00 0.00 O ATOM 1198 OE2 GLU A 82 4.608 -5.720 -10.540 1.00 0.00 O ATOM 0 H GLU A 82 1.803 -6.830 -9.569 1.00 0.00 H new ATOM 0 HA GLU A 82 1.828 -4.157 -10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.889 -6.714 -11.429 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.696 -5.199 -12.290 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.768 -6.383 -12.931 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.090 -4.796 -12.261 1.00 0.00 H new ATOM 1205 N ASN A 83 -1.255 -5.229 -10.092 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.664 -4.856 -9.910 1.00 0.00 C ATOM 1207 C ASN A 83 -2.738 -3.974 -8.701 1.00 0.00 C ATOM 1208 O ASN A 83 -3.278 -2.854 -8.748 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.515 -6.141 -9.644 1.00 0.00 C ATOM 1210 CG ASN A 83 -5.034 -5.923 -9.516 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -5.521 -4.865 -9.094 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -5.786 -6.931 -9.862 1.00 0.00 N ATOM 0 H ASN A 83 -1.119 -6.237 -10.164 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.044 -4.350 -10.797 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.335 -6.847 -10.454 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.155 -6.609 -8.728 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.801 -6.859 -9.788 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.359 -7.791 -10.206 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.135 -4.448 -7.621 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.152 -3.680 -6.391 1.00 0.00 C ATOM 1221 C VAL A 84 -1.417 -2.346 -6.531 1.00 0.00 C ATOM 1222 O VAL A 84 -1.950 -1.296 -6.151 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.664 -4.502 -5.211 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.551 -3.675 -3.954 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.618 -5.623 -4.994 1.00 0.00 C ATOM 0 H VAL A 84 -1.640 -5.339 -7.572 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.191 -3.426 -6.183 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.667 -4.879 -5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.199 -4.303 -3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.845 -2.861 -4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.528 -3.263 -3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.285 -6.226 -4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.609 -5.222 -4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.660 -6.244 -5.889 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.242 -2.388 -7.130 1.00 0.00 N ATOM 1236 CA LYS A 85 0.561 -1.189 -7.384 1.00 0.00 C ATOM 1237 C LYS A 85 -0.220 -0.202 -8.183 1.00 0.00 C ATOM 1238 O LYS A 85 -0.298 0.954 -7.820 1.00 0.00 O ATOM 1239 CB LYS A 85 1.826 -1.554 -8.132 1.00 0.00 C ATOM 1240 CG LYS A 85 2.736 -2.439 -7.346 1.00 0.00 C ATOM 1241 CD LYS A 85 3.853 -2.968 -8.192 1.00 0.00 C ATOM 1242 CE LYS A 85 4.548 -4.069 -7.462 1.00 0.00 C ATOM 1243 NZ LYS A 85 5.594 -4.712 -8.279 1.00 0.00 N ATOM 0 H LYS A 85 0.190 -3.252 -7.458 1.00 0.00 H new ATOM 0 HA LYS A 85 0.826 -0.744 -6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.559 -2.053 -9.064 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.359 -0.642 -8.400 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.148 -1.883 -6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.167 -3.271 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.463 -3.335 -9.141 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.557 -2.169 -8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.995 -3.672 -6.551 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.817 -4.818 -7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.190 -5.310 -7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.149 -5.299 -9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.181 -3.981 -8.729 1.00 0.00 H new ATOM 1257 N HIS A 86 -0.850 -0.697 -9.216 1.00 0.00 N ATOM 1258 CA HIS A 86 -1.657 0.095 -10.131 1.00 0.00 C ATOM 1259 C HIS A 86 -2.696 0.877 -9.360 1.00 0.00 C ATOM 1260 O HIS A 86 -2.757 2.134 -9.427 1.00 0.00 O ATOM 1261 CB HIS A 86 -2.335 -0.808 -11.180 1.00 0.00 C ATOM 1262 CG HIS A 86 -3.193 -0.059 -12.142 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -4.531 -0.304 -12.320 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -2.883 0.947 -12.963 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -5.010 0.523 -13.212 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -4.027 1.303 -13.627 1.00 0.00 N ATOM 0 H HIS A 86 -0.820 -1.687 -9.458 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.004 0.794 -10.654 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.567 -1.348 -11.734 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.943 -1.554 -10.668 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.909 1.398 -13.082 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -6.034 0.562 -13.552 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -4.107 2.044 -14.323 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.445 0.138 -8.577 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.522 0.695 -7.767 1.00 0.00 C ATOM 1276 C LYS A 87 -3.963 1.711 -6.837 1.00 0.00 C ATOM 1277 O LYS A 87 -4.523 2.760 -6.675 1.00 0.00 O ATOM 1278 CB LYS A 87 -5.226 -0.334 -6.917 1.00 0.00 C ATOM 1279 CG LYS A 87 -5.910 -1.469 -7.631 1.00 0.00 C ATOM 1280 CD LYS A 87 -6.618 -2.347 -6.612 1.00 0.00 C ATOM 1281 CE LYS A 87 -5.632 -3.026 -5.643 1.00 0.00 C ATOM 1282 NZ LYS A 87 -6.298 -3.780 -4.563 1.00 0.00 N ATOM 0 H LYS A 87 -3.331 -0.871 -8.478 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.241 1.117 -8.470 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.496 -0.760 -6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.971 0.182 -6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.627 -1.080 -8.354 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.180 -2.055 -8.189 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.325 -1.743 -6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.197 -3.110 -7.132 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.989 -3.703 -6.206 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.987 -2.267 -5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.586 -4.308 -4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.795 -3.118 -3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.982 -4.446 -4.975 1.00 0.00 H new ATOM 1296 N THR A 88 -2.827 1.412 -6.319 1.00 0.00 N ATOM 1297 CA THR A 88 -2.253 2.152 -5.310 1.00 0.00 C ATOM 1298 C THR A 88 -1.773 3.464 -5.795 1.00 0.00 C ATOM 1299 O THR A 88 -2.278 4.469 -5.370 1.00 0.00 O ATOM 1300 CB THR A 88 -1.134 1.365 -4.711 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.676 0.258 -3.994 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.278 2.226 -3.844 1.00 0.00 C ATOM 0 H THR A 88 -2.269 0.611 -6.613 1.00 0.00 H new ATOM 0 HA THR A 88 -3.008 2.356 -4.551 1.00 0.00 H new ATOM 0 HB THR A 88 -0.489 0.985 -5.503 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.897 -0.462 -4.621 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.529 1.628 -3.421 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.144 3.036 -4.439 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.881 2.644 -3.038 1.00 0.00 H new ATOM 1310 N LYS A 89 -0.864 3.461 -6.732 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.314 4.685 -7.177 1.00 0.00 C ATOM 1312 C LYS A 89 -1.349 5.602 -7.816 1.00 0.00 C ATOM 1313 O LYS A 89 -1.277 6.817 -7.667 1.00 0.00 O ATOM 1314 CB LYS A 89 0.941 4.485 -8.029 1.00 0.00 C ATOM 1315 CG LYS A 89 0.905 3.342 -9.016 1.00 0.00 C ATOM 1316 CD LYS A 89 -0.117 3.507 -10.066 1.00 0.00 C ATOM 1317 CE LYS A 89 0.263 2.773 -11.333 1.00 0.00 C ATOM 1318 NZ LYS A 89 1.415 3.391 -12.018 1.00 0.00 N ATOM 0 H LYS A 89 -0.500 2.626 -7.191 1.00 0.00 H new ATOM 0 HA LYS A 89 0.020 5.216 -6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.131 5.406 -8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.788 4.333 -7.360 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.884 3.245 -9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.716 2.413 -8.478 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.075 3.136 -9.703 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.248 4.567 -10.284 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.500 1.737 -11.092 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.592 2.755 -12.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.392 3.143 -13.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.367 4.425 -11.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.299 3.041 -11.596 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.321 5.009 -8.504 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.422 5.791 -9.073 1.00 0.00 C ATOM 1334 C GLU A 90 -4.372 6.312 -7.987 1.00 0.00 C ATOM 1335 O GLU A 90 -4.878 7.469 -8.065 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.167 5.004 -10.121 1.00 0.00 C ATOM 1337 CG GLU A 90 -3.343 4.764 -11.378 1.00 0.00 C ATOM 1338 CD GLU A 90 -2.899 6.063 -12.021 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -3.678 6.646 -12.813 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -1.776 6.532 -11.756 1.00 0.00 O ATOM 0 H GLU A 90 -2.372 4.006 -8.681 1.00 0.00 H new ATOM 0 HA GLU A 90 -2.982 6.661 -9.560 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.468 4.044 -9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.080 5.536 -10.387 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.467 4.165 -11.129 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.931 4.188 -12.093 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.541 5.518 -6.934 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.379 5.913 -5.814 1.00 0.00 C ATOM 1349 C TYR A 91 -4.710 7.050 -5.125 1.00 0.00 C ATOM 1350 O TYR A 91 -5.334 8.039 -4.852 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.627 4.744 -4.826 1.00 0.00 C ATOM 1352 CG TYR A 91 -5.964 5.157 -3.400 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -7.161 5.792 -3.078 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -5.060 4.907 -2.374 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.439 6.166 -1.772 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.325 5.271 -1.082 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.516 5.904 -0.777 1.00 0.00 C ATOM 1358 OH TYR A 91 -6.784 6.275 0.532 1.00 0.00 O ATOM 0 H TYR A 91 -4.108 4.600 -6.836 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.359 6.209 -6.187 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.442 4.131 -5.211 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.738 4.114 -4.804 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.882 5.996 -3.856 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.127 4.414 -2.602 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.370 6.659 -1.534 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.606 5.065 -0.303 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.033 6.017 1.106 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.414 6.889 -4.873 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.574 7.931 -4.278 1.00 0.00 C ATOM 1370 C ILE A 92 -2.726 9.231 -5.027 1.00 0.00 C ATOM 1371 O ILE A 92 -2.965 10.258 -4.402 1.00 0.00 O ATOM 1372 CB ILE A 92 -1.083 7.545 -4.289 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.830 6.245 -3.512 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.239 8.698 -3.735 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.615 6.398 -2.066 1.00 0.00 C ATOM 0 H ILE A 92 -2.911 6.026 -5.077 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.907 8.044 -3.246 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.785 7.361 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.680 5.580 -3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.042 5.751 -3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.814 8.416 -3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.384 9.585 -4.352 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.546 8.914 -2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.446 5.419 -1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.255 7.031 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.494 6.857 -1.614 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.578 9.176 -6.362 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.741 10.364 -7.203 1.00 0.00 C ATOM 1389 C LYS A 93 -4.037 11.046 -6.833 1.00 0.00 C ATOM 1390 O LYS A 93 -4.051 12.141 -6.252 1.00 0.00 O ATOM 1391 CB LYS A 93 -2.834 9.999 -8.702 1.00 0.00 C ATOM 1392 CG LYS A 93 -1.646 9.286 -9.309 1.00 0.00 C ATOM 1393 CD LYS A 93 -0.399 10.133 -9.305 1.00 0.00 C ATOM 1394 CE LYS A 93 0.748 9.409 -9.977 1.00 0.00 C ATOM 1395 NZ LYS A 93 1.053 8.121 -9.320 1.00 0.00 N ATOM 0 H LYS A 93 -2.347 8.325 -6.875 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.874 11.004 -7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.714 9.372 -8.844 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.002 10.917 -9.265 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.458 8.366 -8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.883 9.000 -10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.592 11.074 -9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.126 10.381 -8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.501 9.232 -11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.635 10.042 -9.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.976 7.774 -9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.081 8.255 -8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.317 7.427 -9.559 1.00 0.00 H new ATOM 1409 N LYS A 94 -5.105 10.297 -6.988 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.435 10.849 -6.862 1.00 0.00 C ATOM 1411 C LYS A 94 -6.677 11.299 -5.439 1.00 0.00 C ATOM 1412 O LYS A 94 -7.372 12.288 -5.190 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.483 9.819 -7.297 1.00 0.00 C ATOM 1414 CG LYS A 94 -8.928 10.261 -7.148 1.00 0.00 C ATOM 1415 CD LYS A 94 -9.879 9.120 -7.464 1.00 0.00 C ATOM 1416 CE LYS A 94 -11.334 9.521 -7.259 1.00 0.00 C ATOM 1417 NZ LYS A 94 -11.590 10.019 -5.887 1.00 0.00 N ATOM 0 H LYS A 94 -5.078 9.300 -7.202 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.522 11.717 -7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.305 9.562 -8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.337 8.909 -6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.102 10.613 -6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.126 11.100 -7.815 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.732 8.800 -8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.645 8.266 -6.829 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.601 10.294 -7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.977 8.664 -7.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.615 10.055 -5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.146 9.380 -5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.188 10.973 -5.783 1.00 0.00 H new ATOM 1431 N TYR A 95 -6.097 10.585 -4.524 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.209 10.889 -3.168 1.00 0.00 C ATOM 1433 C TYR A 95 -5.568 12.223 -2.852 1.00 0.00 C ATOM 1434 O TYR A 95 -6.174 13.058 -2.261 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.585 9.788 -2.354 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.509 10.135 -0.907 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -6.652 10.160 -0.129 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -4.313 10.481 -0.327 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -6.602 10.518 1.185 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -4.259 10.839 0.986 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.407 10.862 1.741 1.00 0.00 C ATOM 1442 OH TYR A 95 -5.353 11.201 3.070 1.00 0.00 O ATOM 0 H TYR A 95 -5.526 9.763 -4.723 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.266 10.968 -2.912 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.165 8.873 -2.477 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.583 9.583 -2.730 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.600 9.891 -0.570 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.408 10.469 -0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.503 10.529 1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.313 11.105 1.434 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.033 10.435 3.590 1.00 0.00 H new ATOM 1452 N MET A 96 -4.360 12.423 -3.271 1.00 0.00 N ATOM 1453 CA MET A 96 -3.682 13.631 -2.963 1.00 0.00 C ATOM 1454 C MET A 96 -4.288 14.818 -3.671 1.00 0.00 C ATOM 1455 O MET A 96 -4.142 15.962 -3.228 1.00 0.00 O ATOM 1456 CB MET A 96 -2.215 13.500 -3.222 1.00 0.00 C ATOM 1457 CG MET A 96 -1.616 12.309 -2.482 1.00 0.00 C ATOM 1458 SD MET A 96 0.064 12.530 -1.957 1.00 0.00 S ATOM 1459 CE MET A 96 -0.156 13.954 -0.934 1.00 0.00 C ATOM 0 H MET A 96 -3.824 11.759 -3.830 1.00 0.00 H new ATOM 0 HA MET A 96 -3.808 13.820 -1.897 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.043 13.387 -4.292 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.708 14.414 -2.912 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.230 12.096 -1.607 1.00 0.00 H new ATOM 0 HG3 MET A 96 -1.668 11.433 -3.129 1.00 0.00 H new ATOM 0 HE1 MET A 96 0.745 14.121 -0.345 1.00 0.00 H new ATOM 0 HE2 MET A 96 -0.347 14.826 -1.560 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.002 13.795 -0.266 1.00 0.00 H new ATOM 1469 N GLN A 97 -5.032 14.538 -4.737 1.00 0.00 N ATOM 1470 CA GLN A 97 -5.723 15.592 -5.462 1.00 0.00 C ATOM 1471 C GLN A 97 -6.816 16.222 -4.601 1.00 0.00 C ATOM 1472 O GLN A 97 -7.219 17.360 -4.843 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.334 15.111 -6.783 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.401 14.331 -7.697 1.00 0.00 C ATOM 1475 CD GLN A 97 -4.026 14.937 -7.841 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -3.782 15.777 -8.698 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.109 14.466 -7.028 1.00 0.00 N ATOM 0 H GLN A 97 -5.169 13.600 -5.113 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.963 16.336 -5.700 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.197 14.485 -6.556 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.704 15.979 -7.328 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.300 13.316 -7.313 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.857 14.255 -8.684 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.358 13.766 -6.329 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.147 14.800 -7.096 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.271 15.492 -3.584 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.354 15.970 -2.731 1.00 0.00 C ATOM 1488 C LYS A 98 -7.854 16.962 -1.694 1.00 0.00 C ATOM 1489 O LYS A 98 -8.647 17.596 -1.006 1.00 0.00 O ATOM 1490 CB LYS A 98 -9.057 14.817 -2.007 1.00 0.00 C ATOM 1491 CG LYS A 98 -8.287 14.257 -0.838 1.00 0.00 C ATOM 1492 CD LYS A 98 -9.173 13.826 0.305 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.944 14.988 0.969 1.00 0.00 C ATOM 1494 NZ LYS A 98 -10.942 15.695 0.126 1.00 0.00 N ATOM 0 H LYS A 98 -6.908 14.573 -3.333 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.064 16.466 -3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.029 15.163 -1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.244 14.015 -2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.698 13.404 -1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.584 15.009 -0.481 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.889 13.089 -0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.562 13.330 1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.457 14.598 1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.218 15.720 1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.664 16.130 0.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.466 16.434 -0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.396 15.016 -0.518 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.544 17.027 -1.529 1.00 0.00 N ATOM 1509 CA PHE A 99 -5.956 17.960 -0.593 1.00 0.00 C ATOM 1510 C PHE A 99 -5.870 19.329 -1.198 1.00 0.00 C ATOM 1511 O PHE A 99 -6.220 20.330 -0.569 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.575 17.505 -0.123 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.593 16.306 0.769 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -5.298 16.340 1.954 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.879 15.163 0.450 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -5.306 15.264 2.797 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -3.886 14.075 1.303 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.608 14.138 2.478 1.00 0.00 C ATOM 0 H PHE A 99 -5.872 16.446 -2.030 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.608 17.995 0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.961 17.284 -0.996 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.094 18.329 0.405 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.851 17.229 2.219 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.314 15.121 -0.470 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.867 15.306 3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.331 13.183 1.052 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.620 13.291 3.148 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.450 19.369 -2.422 1.00 0.00 N ATOM 1529 CA GLY A 100 -5.300 20.603 -3.093 1.00 0.00 C ATOM 1530 C GLY A 100 -3.869 20.840 -3.373 1.00 0.00 C ATOM 1531 O GLY A 100 -3.199 19.973 -3.897 1.00 0.00 O ATOM 0 H GLY A 100 -5.205 18.548 -2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.867 20.594 -4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.701 21.412 -2.483 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.389 21.964 -2.985 1.00 0.00 N ATOM 1536 CA ALA A 101 -2.012 22.310 -3.198 1.00 0.00 C ATOM 1537 C ALA A 101 -1.133 21.627 -2.168 1.00 0.00 C ATOM 1538 O ALA A 101 -0.131 20.998 -2.510 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.836 23.812 -3.138 1.00 0.00 C ATOM 0 H ALA A 101 -3.934 22.681 -2.507 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.712 21.966 -4.188 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.788 24.062 -3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.445 24.281 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.148 24.176 -2.159 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.533 21.692 -0.917 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.703 21.141 0.143 1.00 0.00 C ATOM 1547 C VAL A 102 -1.439 19.983 0.791 1.00 0.00 C ATOM 1548 O VAL A 102 -2.672 19.952 0.808 1.00 0.00 O ATOM 1549 CB VAL A 102 -0.339 22.183 1.230 1.00 0.00 C ATOM 1550 CG1 VAL A 102 1.076 21.987 1.739 1.00 0.00 C ATOM 1551 CG2 VAL A 102 -0.593 23.619 0.779 1.00 0.00 C ATOM 0 H VAL A 102 -2.410 22.111 -0.608 1.00 0.00 H new ATOM 0 HA VAL A 102 0.231 20.813 -0.312 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.013 22.007 2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.296 22.736 2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.172 20.991 2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.778 22.093 0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.320 24.306 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.008 23.835 -0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.649 23.743 0.538 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.686 19.046 1.313 1.00 0.00 N ATOM 1562 CA TYR A 103 -1.215 17.922 1.994 1.00 0.00 C ATOM 1563 C TYR A 103 -1.617 18.340 3.382 1.00 0.00 C ATOM 1564 O TYR A 103 -0.781 18.566 4.267 1.00 0.00 O ATOM 1565 CB TYR A 103 -0.210 16.744 1.979 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.428 15.672 3.035 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.680 15.226 3.367 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.640 15.134 3.703 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -1.872 14.287 4.344 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.468 14.178 4.674 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.790 13.762 4.997 1.00 0.00 C ATOM 1572 OH TYR A 103 -0.970 12.836 6.002 1.00 0.00 O ATOM 0 H TYR A 103 0.333 19.057 1.267 1.00 0.00 H new ATOM 0 HA TYR A 103 -2.106 17.556 1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.247 16.272 0.997 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.795 17.148 2.101 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.537 15.625 2.845 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.638 15.468 3.461 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.870 13.963 4.598 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.325 13.758 5.179 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.098 12.566 6.358 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.884 18.491 3.530 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.496 18.864 4.755 1.00 0.00 C ATOM 1584 C LYS A 104 -4.404 17.730 5.182 1.00 0.00 C ATOM 1585 O LYS A 104 -5.516 17.654 4.729 1.00 0.00 O ATOM 1586 CB LYS A 104 -4.324 20.117 4.519 1.00 0.00 C ATOM 1587 CG LYS A 104 -3.516 21.322 4.057 1.00 0.00 C ATOM 1588 CD LYS A 104 -4.412 22.448 3.557 1.00 0.00 C ATOM 1589 CE LYS A 104 -5.204 22.031 2.316 1.00 0.00 C ATOM 1590 NZ LYS A 104 -6.057 23.118 1.818 1.00 0.00 N ATOM 0 H LYS A 104 -3.550 18.352 2.770 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.750 19.060 5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.088 19.899 3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.844 20.375 5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.902 21.685 4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.835 21.019 3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.102 22.742 4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.803 23.322 3.324 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.513 21.724 1.531 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.822 21.165 2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.576 22.794 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.734 23.395 2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.466 23.936 1.566 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.917 16.799 6.007 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.698 15.617 6.446 1.00 0.00 C ATOM 1606 C PRO A 105 -5.956 16.005 7.245 1.00 0.00 C ATOM 1607 O PRO A 105 -6.895 15.234 7.363 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.724 14.806 7.283 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.641 15.760 7.637 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.568 16.793 6.554 1.00 0.00 C ATOM 0 HA PRO A 105 -5.083 15.052 5.597 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -4.206 14.407 8.175 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.335 13.956 6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.845 16.229 8.599 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.689 15.238 7.732 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.289 17.770 6.948 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.828 16.531 5.798 1.00 0.00 H new