USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 844 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 126 HIS : no HD1:sc= -4.39! C(o=-6.4!,f=-3.8!) USER MOD Set 1.2: A 130 ASN : amide:sc= -2.01! K(o=-6.4!,f=-3) USER MOD Set 2.1: A 97 HIS : no HE2:sc= -1.61 K(o=-1.6,f=-3.7!) USER MOD Set 2.2: A 121 MET CE :methyl -168:sc= -0.0101 (180deg=-0.107) USER MOD Set 3.1: A 70 SER OG : rot 180:sc= 0.487 USER MOD Set 3.2: A 81 THR OG1 : rot -63:sc= 0.537 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -149:sc= 0.00255 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.71 K(o=-0.71,f=-4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 176:sc= -0.941 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 27 SER OG : rot 120:sc= -1.86 USER MOD Single : A 35 MET CE :methyl -168:sc= -1.26 (180deg=-2.05!) USER MOD Single : A 37 ASN : amide:sc= -2.69! C(o=-2.7!,f=-9.9!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HE2:sc= -6.52 K(o=-6.5,f=-8.6!) USER MOD Single : A 46 HIS : no HD1:sc= -0.0502 X(o=-0.05,f=-0.05) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.00064) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -83:sc= 1.5 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot -7:sc= -0.919 USER MOD Single : A 59 GLN : amide:sc= 0.514 K(o=0.51,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -86:sc= 0.914 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.54) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.0191 X(o=-0.019,f=0.1) USER MOD Single : A 91 THR OG1 : rot 90:sc= 1.26 USER MOD Single : A 94 THR OG1 : rot 180:sc=-0.00854 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 101 N ILE A 7 -2.248 8.596 -7.035 1.00 0.00 N ATOM 102 CA ILE A 7 -2.526 8.502 -5.612 1.00 0.00 C ATOM 103 C ILE A 7 -1.214 8.282 -4.855 1.00 0.00 C ATOM 104 O ILE A 7 -0.950 7.181 -4.373 1.00 0.00 O ATOM 105 CB ILE A 7 -3.581 7.428 -5.341 1.00 0.00 C ATOM 106 CG1 ILE A 7 -4.819 7.643 -6.214 1.00 0.00 C ATOM 107 CG2 ILE A 7 -3.932 7.368 -3.853 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.809 6.488 -6.055 1.00 0.00 C ATOM 0 HA ILE A 7 -2.954 9.435 -5.245 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.160 6.460 -5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.302 8.581 -5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.521 7.730 -7.259 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.684 6.597 -3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.037 7.132 -3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.325 8.333 -3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.680 6.666 -6.686 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.330 5.555 -6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.124 6.419 -5.014 1.00 0.00 H new ATOM 120 N LYS A 8 -0.429 9.345 -4.774 1.00 0.00 N ATOM 121 CA LYS A 8 0.848 9.281 -4.084 1.00 0.00 C ATOM 122 C LYS A 8 0.697 9.879 -2.684 1.00 0.00 C ATOM 123 O LYS A 8 0.341 11.047 -2.539 1.00 0.00 O ATOM 124 CB LYS A 8 1.944 9.945 -4.921 1.00 0.00 C ATOM 125 CG LYS A 8 3.187 10.226 -4.074 1.00 0.00 C ATOM 126 CD LYS A 8 4.186 11.096 -4.838 1.00 0.00 C ATOM 127 CE LYS A 8 5.566 10.436 -4.883 1.00 0.00 C ATOM 128 NZ LYS A 8 5.884 9.992 -6.258 1.00 0.00 N ATOM 0 H LYS A 8 -0.652 10.256 -5.175 1.00 0.00 H new ATOM 0 HA LYS A 8 1.160 8.244 -3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.209 9.299 -5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.569 10.877 -5.344 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.896 10.726 -3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.660 9.285 -3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.826 11.264 -5.853 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.262 12.073 -4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.323 11.140 -4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.590 9.583 -4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.824 9.547 -6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.171 9.305 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.881 10.812 -6.897 1.00 0.00 H new ATOM 142 N LYS A 9 0.974 9.050 -1.688 1.00 0.00 N ATOM 143 CA LYS A 9 0.873 9.482 -0.304 1.00 0.00 C ATOM 144 C LYS A 9 2.199 9.208 0.409 1.00 0.00 C ATOM 145 O LYS A 9 3.008 8.411 -0.062 1.00 0.00 O ATOM 146 CB LYS A 9 -0.335 8.832 0.373 1.00 0.00 C ATOM 147 CG LYS A 9 -1.632 9.196 -0.352 1.00 0.00 C ATOM 148 CD LYS A 9 -2.287 10.426 0.279 1.00 0.00 C ATOM 149 CE LYS A 9 -3.475 10.905 -0.558 1.00 0.00 C ATOM 150 NZ LYS A 9 -4.228 11.955 0.164 1.00 0.00 N ATOM 0 H LYS A 9 1.268 8.081 -1.812 1.00 0.00 H new ATOM 0 HA LYS A 9 0.699 10.557 -0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.212 7.749 0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.392 9.156 1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.422 9.391 -1.404 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.322 8.353 -0.315 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.622 10.187 1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.554 11.227 0.368 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.121 11.294 -1.513 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.133 10.065 -0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.233 11.905 -0.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.131 11.809 1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.850 12.890 -0.090 1.00 0.00 H new ATOM 164 N GLU A 10 2.379 9.885 1.534 1.00 0.00 N ATOM 165 CA GLU A 10 3.593 9.725 2.317 1.00 0.00 C ATOM 166 C GLU A 10 3.294 9.921 3.804 1.00 0.00 C ATOM 167 O GLU A 10 2.409 10.694 4.167 1.00 0.00 O ATOM 168 CB GLU A 10 4.681 10.691 1.844 1.00 0.00 C ATOM 169 CG GLU A 10 5.962 10.516 2.662 1.00 0.00 C ATOM 170 CD GLU A 10 6.054 11.569 3.768 1.00 0.00 C ATOM 171 OE1 GLU A 10 5.488 11.306 4.851 1.00 0.00 O ATOM 172 OE2 GLU A 10 6.689 12.614 3.506 1.00 0.00 O ATOM 0 H GLU A 10 1.705 10.545 1.922 1.00 0.00 H new ATOM 0 HA GLU A 10 3.966 8.711 2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.892 10.518 0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.325 11.717 1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.984 9.519 3.102 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.830 10.595 2.007 1.00 0.00 H new ATOM 179 N VAL A 11 4.051 9.208 4.626 1.00 0.00 N ATOM 180 CA VAL A 11 3.878 9.293 6.066 1.00 0.00 C ATOM 181 C VAL A 11 5.228 9.069 6.751 1.00 0.00 C ATOM 182 O VAL A 11 6.151 8.524 6.148 1.00 0.00 O ATOM 183 CB VAL A 11 2.803 8.305 6.524 1.00 0.00 C ATOM 184 CG1 VAL A 11 1.410 8.774 6.099 1.00 0.00 C ATOM 185 CG2 VAL A 11 3.092 6.898 5.998 1.00 0.00 C ATOM 0 H VAL A 11 4.785 8.569 4.322 1.00 0.00 H new ATOM 0 HA VAL A 11 3.529 10.286 6.351 1.00 0.00 H new ATOM 0 HB VAL A 11 2.825 8.267 7.613 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.665 8.054 6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.202 9.747 6.544 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.369 8.856 5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.313 6.215 6.338 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.111 6.914 4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.059 6.561 6.373 1.00 0.00 H new ATOM 195 N ARG A 12 5.299 9.500 8.002 1.00 0.00 N ATOM 196 CA ARG A 12 6.520 9.353 8.775 1.00 0.00 C ATOM 197 C ARG A 12 6.213 8.733 10.140 1.00 0.00 C ATOM 198 O ARG A 12 5.546 9.349 10.970 1.00 0.00 O ATOM 199 CB ARG A 12 7.209 10.704 8.980 1.00 0.00 C ATOM 200 CG ARG A 12 8.495 10.546 9.793 1.00 0.00 C ATOM 201 CD ARG A 12 8.564 11.582 10.917 1.00 0.00 C ATOM 202 NE ARG A 12 9.176 10.980 12.123 1.00 0.00 N ATOM 203 CZ ARG A 12 9.283 11.606 13.303 1.00 0.00 C ATOM 204 NH1 ARG A 12 8.821 12.856 13.442 1.00 0.00 N ATOM 205 NH2 ARG A 12 9.852 10.982 14.343 1.00 0.00 N ATOM 0 H ARG A 12 4.531 9.951 8.499 1.00 0.00 H new ATOM 0 HA ARG A 12 7.189 8.698 8.216 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.439 11.150 8.012 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.532 11.387 9.493 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.541 9.542 10.215 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.359 10.657 9.138 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.149 12.443 10.594 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.563 11.945 11.150 1.00 0.00 H new ATOM 0 HE ARG A 12 9.539 10.029 12.051 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.388 13.331 12.650 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.902 13.333 14.340 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.204 10.031 14.237 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.934 11.458 15.241 1.00 0.00 H new ATOM 219 N PHE A 13 6.714 7.521 10.330 1.00 0.00 N ATOM 220 CA PHE A 13 6.501 6.811 11.580 1.00 0.00 C ATOM 221 C PHE A 13 7.815 6.640 12.344 1.00 0.00 C ATOM 222 O PHE A 13 8.881 6.544 11.738 1.00 0.00 O ATOM 223 CB PHE A 13 5.949 5.430 11.221 1.00 0.00 C ATOM 224 CG PHE A 13 4.722 5.468 10.309 1.00 0.00 C ATOM 225 CD1 PHE A 13 3.811 6.469 10.435 1.00 0.00 C ATOM 226 CD2 PHE A 13 4.542 4.499 9.371 1.00 0.00 C ATOM 227 CE1 PHE A 13 2.672 6.504 9.588 1.00 0.00 C ATOM 228 CE2 PHE A 13 3.403 4.534 8.524 1.00 0.00 C ATOM 229 CZ PHE A 13 2.492 5.536 8.650 1.00 0.00 C ATOM 0 H PHE A 13 7.267 7.013 9.639 1.00 0.00 H new ATOM 0 HA PHE A 13 5.814 7.371 12.214 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.734 4.852 10.733 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.690 4.904 12.140 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.954 7.238 11.180 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.265 3.703 9.271 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.948 7.299 9.689 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.260 3.765 7.780 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.626 5.563 8.005 1.00 0.00 H new ATOM 239 N ASN A 14 7.696 6.606 13.663 1.00 0.00 N ATOM 240 CA ASN A 14 8.861 6.448 14.516 1.00 0.00 C ATOM 241 C ASN A 14 9.092 4.960 14.786 1.00 0.00 C ATOM 242 O ASN A 14 8.429 4.370 15.638 1.00 0.00 O ATOM 243 CB ASN A 14 8.658 7.147 15.862 1.00 0.00 C ATOM 244 CG ASN A 14 9.716 8.229 16.084 1.00 0.00 C ATOM 245 OD1 ASN A 14 10.743 8.273 15.427 1.00 0.00 O ATOM 246 ND2 ASN A 14 9.409 9.098 17.043 1.00 0.00 N ATOM 0 H ASN A 14 6.810 6.685 14.162 1.00 0.00 H new ATOM 0 HA ASN A 14 9.715 6.892 14.005 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.664 7.593 15.898 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.708 6.414 16.667 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.051 9.859 17.266 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.532 9.004 17.555 1.00 0.00 H new ATOM 253 N ALA A 15 10.035 4.396 14.045 1.00 0.00 N ATOM 254 CA ALA A 15 10.361 2.988 14.193 1.00 0.00 C ATOM 255 C ALA A 15 11.544 2.645 13.285 1.00 0.00 C ATOM 256 O ALA A 15 11.882 3.411 12.385 1.00 0.00 O ATOM 257 CB ALA A 15 9.124 2.142 13.886 1.00 0.00 C ATOM 0 H ALA A 15 10.584 4.889 13.340 1.00 0.00 H new ATOM 0 HA ALA A 15 10.658 2.768 15.218 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.369 1.086 13.997 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.323 2.404 14.578 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.797 2.333 12.864 1.00 0.00 H new ATOM 263 N PRO A 16 12.155 1.461 13.560 1.00 0.00 N ATOM 264 CA PRO A 16 13.292 1.007 12.779 1.00 0.00 C ATOM 265 C PRO A 16 12.846 0.497 11.407 1.00 0.00 C ATOM 266 O PRO A 16 11.986 -0.377 11.315 1.00 0.00 O ATOM 267 CB PRO A 16 13.948 -0.070 13.628 1.00 0.00 C ATOM 268 CG PRO A 16 12.897 -0.504 14.636 1.00 0.00 C ATOM 269 CD PRO A 16 11.781 0.528 14.619 1.00 0.00 C ATOM 0 HA PRO A 16 13.998 1.808 12.560 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.270 -0.910 13.013 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.835 0.315 14.130 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.509 -1.490 14.382 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.332 -0.580 15.633 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.816 0.064 14.415 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.695 1.034 15.581 1.00 0.00 H new ATOM 277 N ILE A 17 13.451 1.066 10.374 1.00 0.00 N ATOM 278 CA ILE A 17 13.127 0.680 9.011 1.00 0.00 C ATOM 279 C ILE A 17 13.192 -0.844 8.888 1.00 0.00 C ATOM 280 O ILE A 17 12.499 -1.434 8.061 1.00 0.00 O ATOM 281 CB ILE A 17 14.028 1.416 8.017 1.00 0.00 C ATOM 282 CG1 ILE A 17 13.543 1.209 6.581 1.00 0.00 C ATOM 283 CG2 ILE A 17 15.491 1.004 8.194 1.00 0.00 C ATOM 284 CD1 ILE A 17 13.992 2.361 5.680 1.00 0.00 C ATOM 0 H ILE A 17 14.164 1.791 10.454 1.00 0.00 H new ATOM 0 HA ILE A 17 12.108 0.977 8.763 1.00 0.00 H new ATOM 0 HB ILE A 17 13.967 2.484 8.226 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.932 0.267 6.194 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.456 1.135 6.568 1.00 0.00 H new ATOM 0 HG21 ILE A 17 16.110 1.542 7.476 1.00 0.00 H new ATOM 0 HG22 ILE A 17 15.817 1.245 9.206 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.590 -0.069 8.027 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.634 2.190 4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.582 3.298 6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 17 15.081 2.417 5.677 1.00 0.00 H new ATOM 296 N GLU A 18 14.031 -1.438 9.724 1.00 0.00 N ATOM 297 CA GLU A 18 14.196 -2.882 9.719 1.00 0.00 C ATOM 298 C GLU A 18 12.862 -3.569 10.018 1.00 0.00 C ATOM 299 O GLU A 18 12.603 -4.668 9.532 1.00 0.00 O ATOM 300 CB GLU A 18 15.272 -3.314 10.717 1.00 0.00 C ATOM 301 CG GLU A 18 16.190 -4.376 10.108 1.00 0.00 C ATOM 302 CD GLU A 18 15.715 -5.784 10.469 1.00 0.00 C ATOM 303 OE1 GLU A 18 15.427 -5.997 11.666 1.00 0.00 O ATOM 304 OE2 GLU A 18 15.650 -6.617 9.538 1.00 0.00 O ATOM 0 H GLU A 18 14.604 -0.946 10.409 1.00 0.00 H new ATOM 0 HA GLU A 18 14.525 -3.188 8.726 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.862 -2.448 11.019 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.801 -3.708 11.617 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.213 -4.263 9.024 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.209 -4.229 10.466 1.00 0.00 H new ATOM 311 N LYS A 19 12.050 -2.892 10.818 1.00 0.00 N ATOM 312 CA LYS A 19 10.750 -3.424 11.188 1.00 0.00 C ATOM 313 C LYS A 19 9.734 -3.078 10.098 1.00 0.00 C ATOM 314 O LYS A 19 9.087 -3.965 9.542 1.00 0.00 O ATOM 315 CB LYS A 19 10.348 -2.935 12.581 1.00 0.00 C ATOM 316 CG LYS A 19 9.612 -4.031 13.355 1.00 0.00 C ATOM 317 CD LYS A 19 9.091 -3.502 14.693 1.00 0.00 C ATOM 318 CE LYS A 19 8.530 -4.638 15.551 1.00 0.00 C ATOM 319 NZ LYS A 19 7.059 -4.523 15.665 1.00 0.00 N ATOM 0 H LYS A 19 12.268 -1.980 11.220 1.00 0.00 H new ATOM 0 HA LYS A 19 10.788 -4.511 11.256 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.236 -2.629 13.133 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.709 -2.056 12.492 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.780 -4.406 12.759 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.283 -4.872 13.529 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.897 -3.001 15.229 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.315 -2.757 14.516 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.792 -5.599 15.109 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.981 -4.609 16.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.694 -5.301 16.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.815 -3.614 16.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.632 -4.573 14.718 1.00 0.00 H new ATOM 333 N VAL A 20 9.624 -1.787 9.824 1.00 0.00 N ATOM 334 CA VAL A 20 8.697 -1.313 8.810 1.00 0.00 C ATOM 335 C VAL A 20 8.998 -2.012 7.483 1.00 0.00 C ATOM 336 O VAL A 20 8.089 -2.285 6.701 1.00 0.00 O ATOM 337 CB VAL A 20 8.765 0.213 8.711 1.00 0.00 C ATOM 338 CG1 VAL A 20 7.681 0.750 7.775 1.00 0.00 C ATOM 339 CG2 VAL A 20 8.664 0.857 10.095 1.00 0.00 C ATOM 0 H VAL A 20 10.162 -1.054 10.286 1.00 0.00 H new ATOM 0 HA VAL A 20 7.672 -1.562 9.083 1.00 0.00 H new ATOM 0 HB VAL A 20 9.734 0.479 8.288 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.751 1.836 7.722 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.819 0.329 6.779 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.699 0.468 8.156 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.715 1.941 9.996 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.717 0.579 10.558 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.488 0.510 10.719 1.00 0.00 H new ATOM 349 N TRP A 21 10.278 -2.281 7.270 1.00 0.00 N ATOM 350 CA TRP A 21 10.710 -2.944 6.051 1.00 0.00 C ATOM 351 C TRP A 21 10.075 -4.335 6.018 1.00 0.00 C ATOM 352 O TRP A 21 9.429 -4.703 5.038 1.00 0.00 O ATOM 353 CB TRP A 21 12.237 -2.981 5.959 1.00 0.00 C ATOM 354 CG TRP A 21 12.770 -3.833 4.806 1.00 0.00 C ATOM 355 CD1 TRP A 21 13.694 -4.803 4.855 1.00 0.00 C ATOM 356 CD2 TRP A 21 12.372 -3.752 3.421 1.00 0.00 C ATOM 357 NE1 TRP A 21 13.919 -5.350 3.608 1.00 0.00 N ATOM 358 CE2 TRP A 21 13.090 -4.691 2.708 1.00 0.00 C ATOM 359 CE3 TRP A 21 11.436 -2.913 2.791 1.00 0.00 C ATOM 360 CZ2 TRP A 21 12.947 -4.880 1.329 1.00 0.00 C ATOM 361 CZ3 TRP A 21 11.305 -3.114 1.412 1.00 0.00 C ATOM 362 CH2 TRP A 21 12.020 -4.055 0.680 1.00 0.00 C ATOM 0 H TRP A 21 11.029 -2.052 7.921 1.00 0.00 H new ATOM 0 HA TRP A 21 10.379 -2.390 5.173 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.609 -1.963 5.847 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.638 -3.365 6.897 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.199 -5.117 5.757 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.574 -6.100 3.387 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.863 -2.172 3.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.521 -5.622 0.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.599 -2.494 0.879 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.861 -4.149 -0.384 1.00 0.00 H new ATOM 373 N GLU A 22 10.281 -5.070 7.101 1.00 0.00 N ATOM 374 CA GLU A 22 9.736 -6.413 7.208 1.00 0.00 C ATOM 375 C GLU A 22 8.208 -6.365 7.246 1.00 0.00 C ATOM 376 O GLU A 22 7.542 -7.260 6.728 1.00 0.00 O ATOM 377 CB GLU A 22 10.293 -7.134 8.438 1.00 0.00 C ATOM 378 CG GLU A 22 11.389 -8.125 8.043 1.00 0.00 C ATOM 379 CD GLU A 22 10.862 -9.562 8.063 1.00 0.00 C ATOM 380 OE1 GLU A 22 10.134 -9.886 9.025 1.00 0.00 O ATOM 381 OE2 GLU A 22 11.199 -10.303 7.114 1.00 0.00 O ATOM 0 H GLU A 22 10.817 -4.761 7.912 1.00 0.00 H new ATOM 0 HA GLU A 22 10.040 -6.978 6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.694 -6.404 9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.488 -7.661 8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.761 -7.884 7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.232 -8.033 8.728 1.00 0.00 H new ATOM 388 N ALA A 23 7.696 -5.311 7.865 1.00 0.00 N ATOM 389 CA ALA A 23 6.258 -5.134 7.977 1.00 0.00 C ATOM 390 C ALA A 23 5.659 -4.964 6.579 1.00 0.00 C ATOM 391 O ALA A 23 4.443 -5.033 6.409 1.00 0.00 O ATOM 392 CB ALA A 23 5.960 -3.942 8.888 1.00 0.00 C ATOM 0 H ALA A 23 8.251 -4.571 8.294 1.00 0.00 H new ATOM 0 HA ALA A 23 5.797 -6.012 8.428 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.881 -3.809 8.972 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.381 -4.125 9.876 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.405 -3.041 8.465 1.00 0.00 H new ATOM 398 N VAL A 24 6.541 -4.743 5.615 1.00 0.00 N ATOM 399 CA VAL A 24 6.114 -4.562 4.238 1.00 0.00 C ATOM 400 C VAL A 24 6.837 -5.575 3.348 1.00 0.00 C ATOM 401 O VAL A 24 6.861 -5.427 2.127 1.00 0.00 O ATOM 402 CB VAL A 24 6.345 -3.113 3.805 1.00 0.00 C ATOM 403 CG1 VAL A 24 5.760 -2.136 4.827 1.00 0.00 C ATOM 404 CG2 VAL A 24 7.832 -2.840 3.573 1.00 0.00 C ATOM 0 H VAL A 24 7.549 -4.685 5.760 1.00 0.00 H new ATOM 0 HA VAL A 24 5.045 -4.749 4.141 1.00 0.00 H new ATOM 0 HB VAL A 24 5.826 -2.959 2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.938 -1.113 4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.687 -2.306 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.238 -2.292 5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.968 -1.803 3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.383 -3.021 4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.206 -3.502 2.792 1.00 0.00 H new ATOM 414 N SER A 25 7.409 -6.581 3.993 1.00 0.00 N ATOM 415 CA SER A 25 8.131 -7.617 3.275 1.00 0.00 C ATOM 416 C SER A 25 7.400 -8.954 3.411 1.00 0.00 C ATOM 417 O SER A 25 7.340 -9.733 2.461 1.00 0.00 O ATOM 418 CB SER A 25 9.567 -7.743 3.786 1.00 0.00 C ATOM 419 OG SER A 25 9.665 -8.644 4.886 1.00 0.00 O ATOM 0 H SER A 25 7.387 -6.701 5.006 1.00 0.00 H new ATOM 0 HA SER A 25 8.172 -7.338 2.222 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.211 -8.087 2.977 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.932 -6.761 4.088 1.00 0.00 H new ATOM 0 HG SER A 25 10.605 -8.744 5.144 1.00 0.00 H new ATOM 425 N THR A 26 6.861 -9.179 4.601 1.00 0.00 N ATOM 426 CA THR A 26 6.136 -10.409 4.874 1.00 0.00 C ATOM 427 C THR A 26 4.650 -10.233 4.558 1.00 0.00 C ATOM 428 O THR A 26 4.229 -9.169 4.105 1.00 0.00 O ATOM 429 CB THR A 26 6.406 -10.804 6.327 1.00 0.00 C ATOM 430 OG1 THR A 26 5.571 -9.932 7.084 1.00 0.00 O ATOM 431 CG2 THR A 26 7.824 -10.446 6.778 1.00 0.00 C ATOM 0 H THR A 26 6.912 -8.531 5.387 1.00 0.00 H new ATOM 0 HA THR A 26 6.478 -11.221 4.232 1.00 0.00 H new ATOM 0 HB THR A 26 6.247 -11.876 6.447 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.682 -10.120 8.039 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.963 -10.748 7.816 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.548 -10.965 6.149 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.973 -9.370 6.690 1.00 0.00 H new ATOM 439 N SER A 27 3.895 -11.293 4.808 1.00 0.00 N ATOM 440 CA SER A 27 2.464 -11.269 4.555 1.00 0.00 C ATOM 441 C SER A 27 1.713 -10.907 5.838 1.00 0.00 C ATOM 442 O SER A 27 0.825 -10.055 5.822 1.00 0.00 O ATOM 443 CB SER A 27 1.978 -12.616 4.017 1.00 0.00 C ATOM 444 OG SER A 27 2.706 -13.024 2.863 1.00 0.00 O ATOM 0 H SER A 27 4.247 -12.174 5.183 1.00 0.00 H new ATOM 0 HA SER A 27 2.262 -10.512 3.797 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.077 -13.374 4.794 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.918 -12.547 3.771 1.00 0.00 H new ATOM 0 HG SER A 27 3.149 -13.879 3.042 1.00 0.00 H new ATOM 450 N GLU A 28 2.095 -11.572 6.918 1.00 0.00 N ATOM 451 CA GLU A 28 1.468 -11.330 8.206 1.00 0.00 C ATOM 452 C GLU A 28 1.610 -9.858 8.598 1.00 0.00 C ATOM 453 O GLU A 28 0.705 -9.283 9.202 1.00 0.00 O ATOM 454 CB GLU A 28 2.058 -12.243 9.283 1.00 0.00 C ATOM 455 CG GLU A 28 0.972 -13.109 9.923 1.00 0.00 C ATOM 456 CD GLU A 28 0.227 -12.337 11.015 1.00 0.00 C ATOM 457 OE1 GLU A 28 0.114 -11.102 10.859 1.00 0.00 O ATOM 458 OE2 GLU A 28 -0.211 -12.999 11.980 1.00 0.00 O ATOM 0 H GLU A 28 2.831 -12.278 6.928 1.00 0.00 H new ATOM 0 HA GLU A 28 0.406 -11.562 8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.825 -12.881 8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.545 -11.640 10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.267 -13.437 9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.421 -14.006 10.349 1.00 0.00 H new ATOM 465 N GLY A 29 2.752 -9.290 8.239 1.00 0.00 N ATOM 466 CA GLY A 29 3.023 -7.896 8.545 1.00 0.00 C ATOM 467 C GLY A 29 2.244 -6.968 7.612 1.00 0.00 C ATOM 468 O GLY A 29 1.853 -5.871 8.006 1.00 0.00 O ATOM 0 H GLY A 29 3.500 -9.770 7.739 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.752 -7.688 9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.091 -7.700 8.450 1.00 0.00 H new ATOM 472 N LEU A 30 2.043 -7.442 6.391 1.00 0.00 N ATOM 473 CA LEU A 30 1.317 -6.668 5.398 1.00 0.00 C ATOM 474 C LEU A 30 -0.182 -6.744 5.694 1.00 0.00 C ATOM 475 O LEU A 30 -0.839 -5.717 5.855 1.00 0.00 O ATOM 476 CB LEU A 30 1.690 -7.125 3.986 1.00 0.00 C ATOM 477 CG LEU A 30 2.676 -6.233 3.230 1.00 0.00 C ATOM 478 CD1 LEU A 30 3.648 -7.072 2.398 1.00 0.00 C ATOM 479 CD2 LEU A 30 1.938 -5.197 2.380 1.00 0.00 C ATOM 0 H LEU A 30 2.370 -8.352 6.067 1.00 0.00 H new ATOM 0 HA LEU A 30 1.599 -5.617 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.113 -8.127 4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.776 -7.202 3.397 1.00 0.00 H new ATOM 0 HG LEU A 30 3.270 -5.684 3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.338 -6.413 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.210 -7.736 3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.089 -7.666 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.662 -4.576 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.302 -5.707 1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.323 -4.569 3.025 1.00 0.00 H new ATOM 491 N ALA A 31 -0.679 -7.970 5.756 1.00 0.00 N ATOM 492 CA ALA A 31 -2.088 -8.194 6.029 1.00 0.00 C ATOM 493 C ALA A 31 -2.462 -7.513 7.347 1.00 0.00 C ATOM 494 O ALA A 31 -3.639 -7.281 7.619 1.00 0.00 O ATOM 495 CB ALA A 31 -2.373 -9.697 6.049 1.00 0.00 C ATOM 0 H ALA A 31 -0.131 -8.819 5.622 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.705 -7.756 5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.430 -9.864 6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.118 -10.129 5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.774 -10.171 6.826 1.00 0.00 H new ATOM 501 N PHE A 32 -1.437 -7.211 8.132 1.00 0.00 N ATOM 502 CA PHE A 32 -1.643 -6.561 9.415 1.00 0.00 C ATOM 503 C PHE A 32 -2.266 -5.175 9.234 1.00 0.00 C ATOM 504 O PHE A 32 -2.893 -4.648 10.151 1.00 0.00 O ATOM 505 CB PHE A 32 -0.267 -6.408 10.064 1.00 0.00 C ATOM 506 CG PHE A 32 -0.248 -6.717 11.563 1.00 0.00 C ATOM 507 CD1 PHE A 32 -1.149 -6.125 12.391 1.00 0.00 C ATOM 508 CD2 PHE A 32 0.671 -7.585 12.066 1.00 0.00 C ATOM 509 CE1 PHE A 32 -1.131 -6.412 13.782 1.00 0.00 C ATOM 510 CE2 PHE A 32 0.688 -7.873 13.457 1.00 0.00 C ATOM 511 CZ PHE A 32 -0.213 -7.280 14.285 1.00 0.00 C ATOM 0 H PHE A 32 -0.462 -7.405 7.904 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.319 -7.156 10.029 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.437 -7.069 9.558 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.085 -5.388 9.909 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.879 -5.436 11.991 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.387 -8.055 11.408 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.846 -5.941 14.440 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.416 -8.563 13.857 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.200 -7.498 15.343 1.00 0.00 H new ATOM 521 N TRP A 33 -2.071 -4.625 8.045 1.00 0.00 N ATOM 522 CA TRP A 33 -2.605 -3.310 7.732 1.00 0.00 C ATOM 523 C TRP A 33 -3.239 -3.377 6.341 1.00 0.00 C ATOM 524 O TRP A 33 -4.378 -2.952 6.153 1.00 0.00 O ATOM 525 CB TRP A 33 -1.521 -2.237 7.844 1.00 0.00 C ATOM 526 CG TRP A 33 -0.276 -2.518 7.000 1.00 0.00 C ATOM 527 CD1 TRP A 33 0.757 -3.318 7.295 1.00 0.00 C ATOM 528 CD2 TRP A 33 0.025 -1.965 5.701 1.00 0.00 C ATOM 529 NE1 TRP A 33 1.699 -3.321 6.287 1.00 0.00 N ATOM 530 CE2 TRP A 33 1.239 -2.472 5.286 1.00 0.00 C ATOM 531 CE3 TRP A 33 -0.705 -1.066 4.903 1.00 0.00 C ATOM 532 CZ2 TRP A 33 1.831 -2.139 4.062 1.00 0.00 C ATOM 533 CZ3 TRP A 33 -0.100 -0.744 3.683 1.00 0.00 C ATOM 534 CH2 TRP A 33 1.122 -1.245 3.251 1.00 0.00 C ATOM 0 H TRP A 33 -1.551 -5.066 7.286 1.00 0.00 H new ATOM 0 HA TRP A 33 -3.372 -3.024 8.451 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -1.942 -1.277 7.543 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.225 -2.142 8.889 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.842 -3.889 8.208 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.572 -3.849 6.278 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.657 -0.657 5.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.783 -2.550 3.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.620 -0.057 3.031 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.523 -0.946 2.294 1.00 0.00 H new ATOM 545 N PHE A 34 -2.474 -3.913 5.402 1.00 0.00 N ATOM 546 CA PHE A 34 -2.947 -4.040 4.034 1.00 0.00 C ATOM 547 C PHE A 34 -4.100 -5.041 3.943 1.00 0.00 C ATOM 548 O PHE A 34 -5.265 -4.663 4.053 1.00 0.00 O ATOM 549 CB PHE A 34 -1.772 -4.557 3.201 1.00 0.00 C ATOM 550 CG PHE A 34 -2.163 -5.029 1.799 1.00 0.00 C ATOM 551 CD1 PHE A 34 -3.231 -4.472 1.167 1.00 0.00 C ATOM 552 CD2 PHE A 34 -1.442 -6.004 1.184 1.00 0.00 C ATOM 553 CE1 PHE A 34 -3.594 -4.910 -0.134 1.00 0.00 C ATOM 554 CE2 PHE A 34 -1.805 -6.442 -0.117 1.00 0.00 C ATOM 555 CZ PHE A 34 -2.873 -5.886 -0.749 1.00 0.00 C ATOM 0 H PHE A 34 -1.530 -4.264 5.561 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.309 -3.077 3.674 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.027 -3.766 3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.299 -5.383 3.732 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.803 -3.697 1.655 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.593 -6.445 1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.443 -4.468 -0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.233 -7.217 -0.605 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.149 -6.219 -1.739 1.00 0.00 H new ATOM 565 N MET A 35 -3.735 -6.299 3.744 1.00 0.00 N ATOM 566 CA MET A 35 -4.725 -7.358 3.637 1.00 0.00 C ATOM 567 C MET A 35 -4.053 -8.730 3.554 1.00 0.00 C ATOM 568 O MET A 35 -2.855 -8.824 3.294 1.00 0.00 O ATOM 569 CB MET A 35 -5.581 -7.132 2.389 1.00 0.00 C ATOM 570 CG MET A 35 -7.018 -6.770 2.769 1.00 0.00 C ATOM 571 SD MET A 35 -8.051 -6.762 1.313 1.00 0.00 S ATOM 572 CE MET A 35 -6.924 -6.034 0.137 1.00 0.00 C ATOM 0 H MET A 35 -2.767 -6.609 3.654 1.00 0.00 H new ATOM 0 HA MET A 35 -5.353 -7.335 4.528 1.00 0.00 H new ATOM 0 HB2 MET A 35 -5.148 -6.334 1.786 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.579 -8.032 1.774 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.403 -7.487 3.494 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.041 -5.790 3.247 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.468 -5.759 -0.766 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.469 -5.144 0.572 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.145 -6.754 -0.114 1.00 0.00 H new ATOM 582 N GLU A 36 -4.855 -9.760 3.781 1.00 0.00 N ATOM 583 CA GLU A 36 -4.353 -11.123 3.735 1.00 0.00 C ATOM 584 C GLU A 36 -3.705 -11.405 2.378 1.00 0.00 C ATOM 585 O GLU A 36 -4.219 -10.986 1.342 1.00 0.00 O ATOM 586 CB GLU A 36 -5.469 -12.128 4.029 1.00 0.00 C ATOM 587 CG GLU A 36 -5.615 -12.361 5.535 1.00 0.00 C ATOM 588 CD GLU A 36 -5.372 -13.829 5.889 1.00 0.00 C ATOM 589 OE1 GLU A 36 -6.337 -14.613 5.750 1.00 0.00 O ATOM 590 OE2 GLU A 36 -4.229 -14.135 6.289 1.00 0.00 O ATOM 0 H GLU A 36 -5.848 -9.678 3.997 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.593 -11.236 4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.411 -11.761 3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.253 -13.073 3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.907 -11.731 6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.614 -12.066 5.857 1.00 0.00 H new ATOM 597 N ASN A 37 -2.587 -12.113 2.428 1.00 0.00 N ATOM 598 CA ASN A 37 -1.863 -12.456 1.216 1.00 0.00 C ATOM 599 C ASN A 37 -0.678 -13.356 1.572 1.00 0.00 C ATOM 600 O ASN A 37 -0.549 -13.796 2.713 1.00 0.00 O ATOM 601 CB ASN A 37 -1.316 -11.204 0.528 1.00 0.00 C ATOM 602 CG ASN A 37 -0.162 -10.598 1.329 1.00 0.00 C ATOM 603 OD1 ASN A 37 0.951 -10.452 0.850 1.00 0.00 O ATOM 604 ND2 ASN A 37 -0.487 -10.256 2.572 1.00 0.00 N ATOM 0 H ASN A 37 -2.164 -12.459 3.289 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.554 -12.964 0.543 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.974 -11.456 -0.476 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.112 -10.468 0.417 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.214 -9.844 3.188 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.438 -10.405 2.910 1.00 0.00 H new ATOM 611 N ASP A 38 0.157 -13.603 0.573 1.00 0.00 N ATOM 612 CA ASP A 38 1.328 -14.442 0.766 1.00 0.00 C ATOM 613 C ASP A 38 2.533 -13.795 0.080 1.00 0.00 C ATOM 614 O ASP A 38 3.456 -14.489 -0.343 1.00 0.00 O ATOM 615 CB ASP A 38 1.120 -15.827 0.150 1.00 0.00 C ATOM 616 CG ASP A 38 1.843 -16.969 0.867 1.00 0.00 C ATOM 617 OD1 ASP A 38 1.689 -17.050 2.105 1.00 0.00 O ATOM 618 OD2 ASP A 38 2.533 -17.736 0.161 1.00 0.00 O ATOM 0 H ASP A 38 0.046 -13.237 -0.373 1.00 0.00 H new ATOM 0 HA ASP A 38 1.496 -14.545 1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.052 -16.045 0.136 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.454 -15.800 -0.887 1.00 0.00 H new ATOM 623 N LEU A 39 2.484 -12.474 -0.008 1.00 0.00 N ATOM 624 CA LEU A 39 3.561 -11.726 -0.635 1.00 0.00 C ATOM 625 C LEU A 39 4.905 -12.274 -0.152 1.00 0.00 C ATOM 626 O LEU A 39 5.011 -12.767 0.970 1.00 0.00 O ATOM 627 CB LEU A 39 3.384 -10.226 -0.391 1.00 0.00 C ATOM 628 CG LEU A 39 4.601 -9.350 -0.693 1.00 0.00 C ATOM 629 CD1 LEU A 39 4.222 -8.182 -1.606 1.00 0.00 C ATOM 630 CD2 LEU A 39 5.268 -8.874 0.599 1.00 0.00 C ATOM 0 H LEU A 39 1.716 -11.903 0.344 1.00 0.00 H new ATOM 0 HA LEU A 39 3.535 -11.854 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.549 -9.875 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.104 -10.078 0.652 1.00 0.00 H new ATOM 0 HG LEU A 39 5.333 -9.954 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.105 -7.575 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.827 -8.568 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.463 -7.570 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.130 -8.253 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.555 -8.292 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.594 -9.737 1.179 1.00 0.00 H new ATOM 642 N LYS A 40 5.899 -12.167 -1.022 1.00 0.00 N ATOM 643 CA LYS A 40 7.232 -12.645 -0.698 1.00 0.00 C ATOM 644 C LYS A 40 8.270 -11.716 -1.331 1.00 0.00 C ATOM 645 O LYS A 40 8.319 -11.576 -2.552 1.00 0.00 O ATOM 646 CB LYS A 40 7.389 -14.112 -1.105 1.00 0.00 C ATOM 647 CG LYS A 40 8.434 -14.813 -0.235 1.00 0.00 C ATOM 648 CD LYS A 40 7.889 -16.131 0.320 1.00 0.00 C ATOM 649 CE LYS A 40 7.528 -15.994 1.801 1.00 0.00 C ATOM 650 NZ LYS A 40 6.060 -16.049 1.983 1.00 0.00 N ATOM 0 H LYS A 40 5.807 -11.756 -1.951 1.00 0.00 H new ATOM 0 HA LYS A 40 7.395 -12.618 0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.431 -14.623 -1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.683 -14.173 -2.153 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.332 -15.005 -0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.725 -14.160 0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.008 -16.432 -0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.633 -16.918 0.194 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.002 -16.792 2.372 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.914 -15.052 2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.832 -15.955 2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.615 -15.272 1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.700 -16.959 1.630 1.00 0.00 H new ATOM 664 N ALA A 41 9.073 -11.106 -0.472 1.00 0.00 N ATOM 665 CA ALA A 41 10.107 -10.195 -0.932 1.00 0.00 C ATOM 666 C ALA A 41 11.088 -10.954 -1.828 1.00 0.00 C ATOM 667 O ALA A 41 12.152 -11.374 -1.374 1.00 0.00 O ATOM 668 CB ALA A 41 10.796 -9.553 0.274 1.00 0.00 C ATOM 0 H ALA A 41 9.028 -11.225 0.540 1.00 0.00 H new ATOM 0 HA ALA A 41 9.673 -9.391 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.572 -8.870 -0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.062 -9.002 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.246 -10.330 0.892 1.00 0.00 H new ATOM 674 N GLU A 42 10.696 -11.107 -3.084 1.00 0.00 N ATOM 675 CA GLU A 42 11.528 -11.808 -4.048 1.00 0.00 C ATOM 676 C GLU A 42 11.038 -11.534 -5.471 1.00 0.00 C ATOM 677 O GLU A 42 10.032 -12.094 -5.904 1.00 0.00 O ATOM 678 CB GLU A 42 11.556 -13.310 -3.758 1.00 0.00 C ATOM 679 CG GLU A 42 12.953 -13.888 -3.991 1.00 0.00 C ATOM 680 CD GLU A 42 13.011 -15.363 -3.591 1.00 0.00 C ATOM 681 OE1 GLU A 42 13.009 -15.620 -2.368 1.00 0.00 O ATOM 682 OE2 GLU A 42 13.055 -16.201 -4.517 1.00 0.00 O ATOM 0 H GLU A 42 9.813 -10.758 -3.457 1.00 0.00 H new ATOM 0 HA GLU A 42 12.548 -11.434 -3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.251 -13.491 -2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.836 -13.821 -4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.224 -13.782 -5.042 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.685 -13.322 -3.415 1.00 0.00 H new ATOM 689 N THR A 43 11.772 -10.672 -6.160 1.00 0.00 N ATOM 690 CA THR A 43 11.425 -10.317 -7.525 1.00 0.00 C ATOM 691 C THR A 43 11.001 -11.561 -8.309 1.00 0.00 C ATOM 692 O THR A 43 11.669 -12.593 -8.250 1.00 0.00 O ATOM 693 CB THR A 43 12.620 -9.587 -8.142 1.00 0.00 C ATOM 694 OG1 THR A 43 12.029 -8.647 -9.036 1.00 0.00 O ATOM 695 CG2 THR A 43 13.452 -10.493 -9.052 1.00 0.00 C ATOM 0 H THR A 43 12.606 -10.209 -5.798 1.00 0.00 H new ATOM 0 HA THR A 43 10.566 -9.646 -7.553 1.00 0.00 H new ATOM 0 HB THR A 43 13.252 -9.190 -7.348 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.733 -8.129 -9.478 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.287 -9.927 -9.464 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.834 -11.335 -8.476 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.828 -10.863 -9.866 1.00 0.00 H new ATOM 703 N GLY A 44 9.895 -11.422 -9.024 1.00 0.00 N ATOM 704 CA GLY A 44 9.375 -12.522 -9.819 1.00 0.00 C ATOM 705 C GLY A 44 8.656 -13.544 -8.936 1.00 0.00 C ATOM 706 O GLY A 44 8.651 -14.737 -9.238 1.00 0.00 O ATOM 0 H GLY A 44 9.344 -10.565 -9.070 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.686 -12.138 -10.572 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.192 -13.008 -10.353 1.00 0.00 H new ATOM 710 N HIS A 45 8.066 -13.040 -7.862 1.00 0.00 N ATOM 711 CA HIS A 45 7.346 -13.894 -6.933 1.00 0.00 C ATOM 712 C HIS A 45 5.878 -13.985 -7.352 1.00 0.00 C ATOM 713 O HIS A 45 5.374 -13.111 -8.056 1.00 0.00 O ATOM 714 CB HIS A 45 7.522 -13.403 -5.495 1.00 0.00 C ATOM 715 CG HIS A 45 6.623 -14.091 -4.496 1.00 0.00 C ATOM 716 ND1 HIS A 45 6.834 -15.390 -4.067 1.00 0.00 N ATOM 717 CD2 HIS A 45 5.509 -13.647 -3.846 1.00 0.00 C ATOM 718 CE1 HIS A 45 5.883 -15.704 -3.200 1.00 0.00 C ATOM 719 NE2 HIS A 45 5.062 -14.623 -3.064 1.00 0.00 N ATOM 0 H HIS A 45 8.072 -12.051 -7.614 1.00 0.00 H new ATOM 0 HA HIS A 45 7.760 -14.902 -6.965 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.560 -13.551 -5.196 1.00 0.00 H new ATOM 0 HB3 HIS A 45 7.330 -12.330 -5.462 1.00 0.00 H new ATOM 0 HD1 HIS A 45 7.593 -16.002 -4.367 1.00 0.00 H new ATOM 0 HD2 HIS A 45 5.066 -12.668 -3.950 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.776 -16.650 -2.690 1.00 0.00 H new ATOM 727 N HIS A 46 5.232 -15.051 -6.903 1.00 0.00 N ATOM 728 CA HIS A 46 3.831 -15.268 -7.223 1.00 0.00 C ATOM 729 C HIS A 46 3.051 -15.561 -5.940 1.00 0.00 C ATOM 730 O HIS A 46 3.453 -16.409 -5.144 1.00 0.00 O ATOM 731 CB HIS A 46 3.678 -16.369 -8.274 1.00 0.00 C ATOM 732 CG HIS A 46 3.978 -17.756 -7.759 1.00 0.00 C ATOM 733 ND1 HIS A 46 2.991 -18.626 -7.329 1.00 0.00 N ATOM 734 CD2 HIS A 46 5.163 -18.415 -7.610 1.00 0.00 C ATOM 735 CE1 HIS A 46 3.568 -19.754 -6.941 1.00 0.00 C ATOM 736 NE2 HIS A 46 4.914 -19.621 -7.115 1.00 0.00 N ATOM 0 H HIS A 46 5.653 -15.774 -6.320 1.00 0.00 H new ATOM 0 HA HIS A 46 3.411 -14.364 -7.664 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.659 -16.349 -8.661 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.341 -16.152 -9.111 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.139 -18.022 -7.854 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.061 -20.626 -6.555 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.614 -20.331 -6.900 1.00 0.00 H new ATOM 744 N PHE A 47 1.950 -14.843 -5.778 1.00 0.00 N ATOM 745 CA PHE A 47 1.110 -15.015 -4.605 1.00 0.00 C ATOM 746 C PHE A 47 -0.314 -14.522 -4.872 1.00 0.00 C ATOM 747 O PHE A 47 -0.538 -13.728 -5.785 1.00 0.00 O ATOM 748 CB PHE A 47 1.727 -14.175 -3.485 1.00 0.00 C ATOM 749 CG PHE A 47 1.822 -12.682 -3.808 1.00 0.00 C ATOM 750 CD1 PHE A 47 2.664 -12.250 -4.785 1.00 0.00 C ATOM 751 CD2 PHE A 47 1.065 -11.788 -3.119 1.00 0.00 C ATOM 752 CE1 PHE A 47 2.753 -10.865 -5.084 1.00 0.00 C ATOM 753 CE2 PHE A 47 1.153 -10.402 -3.418 1.00 0.00 C ATOM 754 CZ PHE A 47 1.996 -9.970 -4.395 1.00 0.00 C ATOM 0 H PHE A 47 1.620 -14.140 -6.440 1.00 0.00 H new ATOM 0 HA PHE A 47 1.056 -16.071 -4.339 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.134 -14.304 -2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.726 -14.554 -3.268 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.265 -12.961 -5.333 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.396 -12.131 -2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.422 -10.522 -5.859 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.551 -9.692 -2.870 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.064 -8.917 -4.623 1.00 0.00 H new ATOM 764 N HIS A 48 -1.238 -15.011 -4.059 1.00 0.00 N ATOM 765 CA HIS A 48 -2.633 -14.630 -4.197 1.00 0.00 C ATOM 766 C HIS A 48 -2.984 -13.578 -3.142 1.00 0.00 C ATOM 767 O HIS A 48 -2.192 -13.310 -2.241 1.00 0.00 O ATOM 768 CB HIS A 48 -3.542 -15.859 -4.133 1.00 0.00 C ATOM 769 CG HIS A 48 -3.674 -16.594 -5.446 1.00 0.00 C ATOM 770 ND1 HIS A 48 -3.048 -17.802 -5.695 1.00 0.00 N ATOM 771 CD2 HIS A 48 -4.367 -16.278 -6.577 1.00 0.00 C ATOM 772 CE1 HIS A 48 -3.357 -18.188 -6.924 1.00 0.00 C ATOM 773 NE2 HIS A 48 -4.174 -17.241 -7.470 1.00 0.00 N ATOM 0 H HIS A 48 -1.048 -15.668 -3.302 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.795 -14.181 -5.177 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.154 -16.546 -3.381 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.533 -15.549 -3.801 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.971 -15.394 -6.722 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.021 -19.093 -7.409 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.571 -17.269 -8.409 1.00 0.00 H new ATOM 781 N LEU A 49 -4.172 -13.011 -3.291 1.00 0.00 N ATOM 782 CA LEU A 49 -4.638 -11.995 -2.362 1.00 0.00 C ATOM 783 C LEU A 49 -6.083 -12.299 -1.962 1.00 0.00 C ATOM 784 O LEU A 49 -6.840 -12.870 -2.745 1.00 0.00 O ATOM 785 CB LEU A 49 -4.445 -10.598 -2.956 1.00 0.00 C ATOM 786 CG LEU A 49 -4.599 -9.428 -1.982 1.00 0.00 C ATOM 787 CD1 LEU A 49 -3.269 -9.107 -1.297 1.00 0.00 C ATOM 788 CD2 LEU A 49 -5.192 -8.204 -2.684 1.00 0.00 C ATOM 0 H LEU A 49 -4.826 -13.236 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.044 -12.013 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.450 -10.547 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.162 -10.467 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.301 -9.723 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.406 -8.272 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.925 -9.980 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.527 -8.840 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.291 -7.387 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.535 -7.897 -3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.174 -8.455 -3.086 1.00 0.00 H new ATOM 800 N GLN A 50 -6.421 -11.904 -0.744 1.00 0.00 N ATOM 801 CA GLN A 50 -7.762 -12.127 -0.230 1.00 0.00 C ATOM 802 C GLN A 50 -8.517 -10.800 -0.122 1.00 0.00 C ATOM 803 O GLN A 50 -8.621 -10.228 0.961 1.00 0.00 O ATOM 804 CB GLN A 50 -7.719 -12.845 1.120 1.00 0.00 C ATOM 805 CG GLN A 50 -6.962 -14.170 1.013 1.00 0.00 C ATOM 806 CD GLN A 50 -7.922 -15.358 1.087 1.00 0.00 C ATOM 807 OE1 GLN A 50 -8.132 -15.956 2.130 1.00 0.00 O ATOM 808 NE2 GLN A 50 -8.492 -15.666 -0.074 1.00 0.00 N ATOM 0 H GLN A 50 -5.790 -11.431 -0.098 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.296 -12.770 -0.930 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.238 -12.206 1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.735 -13.030 1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.410 -14.202 0.074 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.229 -14.240 1.817 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.272 -15.124 -0.910 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.149 -16.444 -0.129 1.00 0.00 H new ATOM 817 N SER A 51 -9.024 -10.351 -1.261 1.00 0.00 N ATOM 818 CA SER A 51 -9.766 -9.103 -1.308 1.00 0.00 C ATOM 819 C SER A 51 -11.254 -9.369 -1.071 1.00 0.00 C ATOM 820 O SER A 51 -11.707 -10.509 -1.165 1.00 0.00 O ATOM 821 CB SER A 51 -9.561 -8.390 -2.646 1.00 0.00 C ATOM 822 OG SER A 51 -10.748 -8.380 -3.434 1.00 0.00 O ATOM 0 H SER A 51 -8.935 -10.829 -2.158 1.00 0.00 H new ATOM 0 HA SER A 51 -9.390 -8.452 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.238 -7.365 -2.465 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.762 -8.883 -3.200 1.00 0.00 H new ATOM 0 HG SER A 51 -10.827 -9.229 -3.917 1.00 0.00 H new ATOM 828 N PRO A 52 -11.993 -8.270 -0.762 1.00 0.00 N ATOM 829 CA PRO A 52 -13.420 -8.374 -0.511 1.00 0.00 C ATOM 830 C PRO A 52 -14.194 -8.568 -1.817 1.00 0.00 C ATOM 831 O PRO A 52 -15.327 -9.047 -1.806 1.00 0.00 O ATOM 832 CB PRO A 52 -13.788 -7.088 0.211 1.00 0.00 C ATOM 833 CG PRO A 52 -12.657 -6.113 -0.073 1.00 0.00 C ATOM 834 CD PRO A 52 -11.491 -6.904 -0.642 1.00 0.00 C ATOM 0 HA PRO A 52 -13.678 -9.243 0.095 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.740 -6.697 -0.148 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.897 -7.259 1.282 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.981 -5.349 -0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.359 -5.598 0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.180 -6.510 -1.610 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.623 -6.858 0.015 1.00 0.00 H new ATOM 842 N PHE A 53 -13.550 -8.186 -2.910 1.00 0.00 N ATOM 843 CA PHE A 53 -14.164 -8.313 -4.222 1.00 0.00 C ATOM 844 C PHE A 53 -13.626 -9.539 -4.962 1.00 0.00 C ATOM 845 O PHE A 53 -13.335 -9.470 -6.156 1.00 0.00 O ATOM 846 CB PHE A 53 -13.796 -7.054 -5.010 1.00 0.00 C ATOM 847 CG PHE A 53 -14.809 -5.916 -4.873 1.00 0.00 C ATOM 848 CD1 PHE A 53 -16.064 -6.057 -5.378 1.00 0.00 C ATOM 849 CD2 PHE A 53 -14.455 -4.762 -4.245 1.00 0.00 C ATOM 850 CE1 PHE A 53 -17.004 -5.001 -5.250 1.00 0.00 C ATOM 851 CE2 PHE A 53 -15.396 -3.706 -4.118 1.00 0.00 C ATOM 852 CZ PHE A 53 -16.650 -3.848 -4.623 1.00 0.00 C ATOM 0 H PHE A 53 -12.610 -7.789 -2.915 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.243 -8.429 -4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.821 -6.701 -4.676 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.697 -7.313 -6.064 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -16.345 -6.973 -5.877 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -13.459 -4.649 -3.843 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -18.001 -5.114 -5.651 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -15.115 -2.790 -3.620 1.00 0.00 H new ATOM 0 HZ PHE A 53 -17.365 -3.045 -4.526 1.00 0.00 H new ATOM 862 N GLY A 54 -13.512 -10.633 -4.224 1.00 0.00 N ATOM 863 CA GLY A 54 -13.015 -11.873 -4.796 1.00 0.00 C ATOM 864 C GLY A 54 -11.487 -11.928 -4.742 1.00 0.00 C ATOM 865 O GLY A 54 -10.826 -10.891 -4.690 1.00 0.00 O ATOM 0 H GLY A 54 -13.755 -10.687 -3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.432 -12.721 -4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.349 -11.961 -5.830 1.00 0.00 H new ATOM 869 N PRO A 55 -10.955 -13.180 -4.758 1.00 0.00 N ATOM 870 CA PRO A 55 -9.518 -13.383 -4.711 1.00 0.00 C ATOM 871 C PRO A 55 -8.874 -13.056 -6.060 1.00 0.00 C ATOM 872 O PRO A 55 -9.377 -13.462 -7.107 1.00 0.00 O ATOM 873 CB PRO A 55 -9.339 -14.837 -4.304 1.00 0.00 C ATOM 874 CG PRO A 55 -10.669 -15.516 -4.590 1.00 0.00 C ATOM 875 CD PRO A 55 -11.707 -14.430 -4.819 1.00 0.00 C ATOM 0 HA PRO A 55 -9.022 -12.721 -4.001 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.532 -15.304 -4.869 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.078 -14.918 -3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.589 -16.158 -5.467 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.960 -16.152 -3.754 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.199 -14.550 -5.784 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.487 -14.461 -4.058 1.00 0.00 H new ATOM 883 N SER A 56 -7.770 -12.326 -5.992 1.00 0.00 N ATOM 884 CA SER A 56 -7.052 -11.940 -7.194 1.00 0.00 C ATOM 885 C SER A 56 -5.562 -12.245 -7.035 1.00 0.00 C ATOM 886 O SER A 56 -5.008 -12.102 -5.946 1.00 0.00 O ATOM 887 CB SER A 56 -7.260 -10.457 -7.508 1.00 0.00 C ATOM 888 OG SER A 56 -8.293 -10.254 -8.469 1.00 0.00 O ATOM 0 H SER A 56 -7.355 -11.992 -5.122 1.00 0.00 H new ATOM 0 HA SER A 56 -7.447 -12.519 -8.029 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.509 -9.924 -6.590 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.329 -10.032 -7.882 1.00 0.00 H new ATOM 0 HG SER A 56 -8.396 -9.295 -8.641 1.00 0.00 H new ATOM 894 N PRO A 57 -4.938 -12.671 -8.166 1.00 0.00 N ATOM 895 CA PRO A 57 -3.522 -12.997 -8.162 1.00 0.00 C ATOM 896 C PRO A 57 -2.667 -11.729 -8.126 1.00 0.00 C ATOM 897 O PRO A 57 -3.116 -10.662 -8.542 1.00 0.00 O ATOM 898 CB PRO A 57 -3.305 -13.824 -9.418 1.00 0.00 C ATOM 899 CG PRO A 57 -4.499 -13.541 -10.315 1.00 0.00 C ATOM 900 CD PRO A 57 -5.561 -12.852 -9.473 1.00 0.00 C ATOM 0 HA PRO A 57 -3.222 -13.557 -7.276 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.372 -13.549 -9.911 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.238 -14.886 -9.180 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.206 -12.908 -11.153 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.888 -14.468 -10.737 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.853 -11.896 -9.908 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.464 -13.458 -9.401 1.00 0.00 H new ATOM 908 N CYS A 58 -1.451 -11.887 -7.625 1.00 0.00 N ATOM 909 CA CYS A 58 -0.529 -10.768 -7.530 1.00 0.00 C ATOM 910 C CYS A 58 0.881 -11.280 -7.829 1.00 0.00 C ATOM 911 O CYS A 58 1.162 -12.467 -7.667 1.00 0.00 O ATOM 912 CB CYS A 58 -0.609 -10.084 -6.163 1.00 0.00 C ATOM 913 SG CYS A 58 -2.305 -9.459 -5.875 1.00 0.00 S ATOM 0 H CYS A 58 -1.083 -12.773 -7.280 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.801 -10.007 -8.261 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.334 -10.788 -5.378 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.104 -9.261 -6.117 1.00 0.00 H new ATOM 0 HG CYS A 58 -3.014 -9.614 -6.954 1.00 0.00 H new ATOM 919 N GLN A 59 1.731 -10.360 -8.261 1.00 0.00 N ATOM 920 CA GLN A 59 3.105 -10.704 -8.585 1.00 0.00 C ATOM 921 C GLN A 59 4.028 -9.513 -8.315 1.00 0.00 C ATOM 922 O GLN A 59 3.732 -8.390 -8.720 1.00 0.00 O ATOM 923 CB GLN A 59 3.226 -11.173 -10.036 1.00 0.00 C ATOM 924 CG GLN A 59 4.693 -11.304 -10.450 1.00 0.00 C ATOM 925 CD GLN A 59 4.872 -12.412 -11.490 1.00 0.00 C ATOM 926 OE1 GLN A 59 4.791 -12.194 -12.688 1.00 0.00 O ATOM 927 NE2 GLN A 59 5.120 -13.610 -10.967 1.00 0.00 N ATOM 0 H GLN A 59 1.495 -9.377 -8.394 1.00 0.00 H new ATOM 0 HA GLN A 59 3.413 -11.530 -7.944 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.724 -12.133 -10.154 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.721 -10.466 -10.694 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.045 -10.357 -10.858 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.304 -11.521 -9.574 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.175 -13.723 -9.955 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.255 -14.415 -11.578 1.00 0.00 H new ATOM 936 N VAL A 60 5.127 -9.800 -7.634 1.00 0.00 N ATOM 937 CA VAL A 60 6.095 -8.767 -7.305 1.00 0.00 C ATOM 938 C VAL A 60 6.950 -8.465 -8.537 1.00 0.00 C ATOM 939 O VAL A 60 7.508 -9.375 -9.148 1.00 0.00 O ATOM 940 CB VAL A 60 6.924 -9.194 -6.092 1.00 0.00 C ATOM 941 CG1 VAL A 60 7.886 -8.082 -5.667 1.00 0.00 C ATOM 942 CG2 VAL A 60 6.021 -9.611 -4.930 1.00 0.00 C ATOM 0 H VAL A 60 5.369 -10.733 -7.301 1.00 0.00 H new ATOM 0 HA VAL A 60 5.588 -7.843 -7.026 1.00 0.00 H new ATOM 0 HB VAL A 60 7.519 -10.060 -6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.463 -8.411 -4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.563 -7.852 -6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.318 -7.190 -5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.636 -9.910 -4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.388 -8.772 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.395 -10.449 -5.238 1.00 0.00 H new ATOM 952 N THR A 61 7.025 -7.184 -8.866 1.00 0.00 N ATOM 953 CA THR A 61 7.803 -6.750 -10.014 1.00 0.00 C ATOM 954 C THR A 61 9.217 -6.356 -9.583 1.00 0.00 C ATOM 955 O THR A 61 10.178 -6.578 -10.317 1.00 0.00 O ATOM 956 CB THR A 61 7.039 -5.617 -10.702 1.00 0.00 C ATOM 957 OG1 THR A 61 7.036 -4.566 -9.739 1.00 0.00 O ATOM 958 CG2 THR A 61 5.558 -5.944 -10.900 1.00 0.00 C ATOM 0 H THR A 61 6.560 -6.432 -8.357 1.00 0.00 H new ATOM 0 HA THR A 61 7.931 -7.559 -10.733 1.00 0.00 H new ATOM 0 HB THR A 61 7.496 -5.406 -11.669 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.562 -3.790 -10.103 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.063 -5.107 -11.392 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.462 -6.837 -11.518 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.092 -6.122 -9.931 1.00 0.00 H new ATOM 966 N ASP A 62 9.299 -5.778 -8.393 1.00 0.00 N ATOM 967 CA ASP A 62 10.579 -5.350 -7.855 1.00 0.00 C ATOM 968 C ASP A 62 10.512 -5.356 -6.327 1.00 0.00 C ATOM 969 O ASP A 62 9.548 -4.865 -5.742 1.00 0.00 O ATOM 970 CB ASP A 62 10.920 -3.929 -8.309 1.00 0.00 C ATOM 971 CG ASP A 62 12.212 -3.802 -9.118 1.00 0.00 C ATOM 972 OD1 ASP A 62 13.220 -4.394 -8.676 1.00 0.00 O ATOM 973 OD2 ASP A 62 12.162 -3.115 -10.162 1.00 0.00 O ATOM 0 H ASP A 62 8.499 -5.596 -7.786 1.00 0.00 H new ATOM 0 HA ASP A 62 11.344 -6.037 -8.217 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.094 -3.547 -8.909 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.996 -3.291 -7.429 1.00 0.00 H new ATOM 978 N VAL A 63 11.550 -5.916 -5.723 1.00 0.00 N ATOM 979 CA VAL A 63 11.621 -5.992 -4.274 1.00 0.00 C ATOM 980 C VAL A 63 13.073 -6.226 -3.851 1.00 0.00 C ATOM 981 O VAL A 63 13.607 -7.318 -4.031 1.00 0.00 O ATOM 982 CB VAL A 63 10.667 -7.071 -3.758 1.00 0.00 C ATOM 983 CG1 VAL A 63 10.937 -8.413 -4.441 1.00 0.00 C ATOM 984 CG2 VAL A 63 10.757 -7.202 -2.237 1.00 0.00 C ATOM 0 H VAL A 63 12.349 -6.321 -6.211 1.00 0.00 H new ATOM 0 HA VAL A 63 11.299 -5.052 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 63 9.651 -6.766 -4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.245 -9.163 -4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.797 -8.308 -5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.961 -8.726 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.069 -7.976 -1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.775 -7.472 -1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.492 -6.252 -1.774 1.00 0.00 H new ATOM 994 N GLU A 64 13.669 -5.181 -3.295 1.00 0.00 N ATOM 995 CA GLU A 64 15.048 -5.259 -2.845 1.00 0.00 C ATOM 996 C GLU A 64 15.307 -4.227 -1.745 1.00 0.00 C ATOM 997 O GLU A 64 15.424 -3.035 -2.022 1.00 0.00 O ATOM 998 CB GLU A 64 16.018 -5.069 -4.013 1.00 0.00 C ATOM 999 CG GLU A 64 17.458 -5.360 -3.583 1.00 0.00 C ATOM 1000 CD GLU A 64 18.089 -6.435 -4.471 1.00 0.00 C ATOM 1001 OE1 GLU A 64 18.468 -6.080 -5.608 1.00 0.00 O ATOM 1002 OE2 GLU A 64 18.178 -7.586 -3.993 1.00 0.00 O ATOM 0 H GLU A 64 13.222 -4.276 -3.146 1.00 0.00 H new ATOM 0 HA GLU A 64 15.218 -6.253 -2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.739 -5.730 -4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.946 -4.048 -4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.049 -4.446 -3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.472 -5.688 -2.544 1.00 0.00 H new ATOM 1009 N ARG A 65 15.388 -4.724 -0.519 1.00 0.00 N ATOM 1010 CA ARG A 65 15.630 -3.860 0.624 1.00 0.00 C ATOM 1011 C ARG A 65 14.574 -2.755 0.687 1.00 0.00 C ATOM 1012 O ARG A 65 13.833 -2.544 -0.272 1.00 0.00 O ATOM 1013 CB ARG A 65 17.020 -3.225 0.549 1.00 0.00 C ATOM 1014 CG ARG A 65 17.991 -3.915 1.509 1.00 0.00 C ATOM 1015 CD ARG A 65 19.019 -2.923 2.057 1.00 0.00 C ATOM 1016 NE ARG A 65 20.289 -3.043 1.307 1.00 0.00 N ATOM 1017 CZ ARG A 65 21.483 -2.675 1.789 1.00 0.00 C ATOM 1018 NH1 ARG A 65 21.579 -2.161 3.023 1.00 0.00 N ATOM 1019 NH2 ARG A 65 22.583 -2.820 1.037 1.00 0.00 N ATOM 0 H ARG A 65 15.290 -5.714 -0.293 1.00 0.00 H new ATOM 0 HA ARG A 65 15.572 -4.474 1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.400 -3.294 -0.470 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.953 -2.165 0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.436 -4.362 2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.503 -4.727 0.992 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.634 -1.906 1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.193 -3.115 3.116 1.00 0.00 H new ATOM 0 HE ARG A 65 20.253 -3.430 0.364 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.742 -2.050 3.596 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.489 -1.881 3.389 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.511 -3.211 0.098 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.492 -2.540 1.404 1.00 0.00 H new ATOM 1033 N PRO A 66 14.538 -2.061 1.856 1.00 0.00 N ATOM 1034 CA PRO A 66 13.585 -0.982 2.057 1.00 0.00 C ATOM 1035 C PRO A 66 14.004 0.271 1.286 1.00 0.00 C ATOM 1036 O PRO A 66 14.359 1.284 1.887 1.00 0.00 O ATOM 1037 CB PRO A 66 13.544 -0.768 3.561 1.00 0.00 C ATOM 1038 CG PRO A 66 14.810 -1.409 4.108 1.00 0.00 C ATOM 1039 CD PRO A 66 15.400 -2.283 3.013 1.00 0.00 C ATOM 0 HA PRO A 66 12.593 -1.221 1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.508 0.294 3.804 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.655 -1.225 3.996 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.524 -0.644 4.412 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.585 -2.005 4.992 1.00 0.00 H new ATOM 0 HD2 PRO A 66 16.432 -2.005 2.797 1.00 0.00 H new ATOM 0 HD3 PRO A 66 15.407 -3.333 3.305 1.00 0.00 H new ATOM 1047 N ILE A 67 13.950 0.161 -0.033 1.00 0.00 N ATOM 1048 CA ILE A 67 14.320 1.272 -0.893 1.00 0.00 C ATOM 1049 C ILE A 67 13.347 1.345 -2.072 1.00 0.00 C ATOM 1050 O ILE A 67 12.857 2.422 -2.411 1.00 0.00 O ATOM 1051 CB ILE A 67 15.787 1.160 -1.312 1.00 0.00 C ATOM 1052 CG1 ILE A 67 16.103 -0.244 -1.832 1.00 0.00 C ATOM 1053 CG2 ILE A 67 16.717 1.571 -0.169 1.00 0.00 C ATOM 1054 CD1 ILE A 67 15.826 -0.348 -3.333 1.00 0.00 C ATOM 0 H ILE A 67 13.655 -0.681 -0.527 1.00 0.00 H new ATOM 0 HA ILE A 67 14.238 2.215 -0.353 1.00 0.00 H new ATOM 0 HB ILE A 67 15.961 1.854 -2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 67 17.148 -0.482 -1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.502 -0.978 -1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 67 17.754 1.482 -0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.512 2.604 0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.548 0.920 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 67 16.059 -1.356 -3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 67 14.775 -0.133 -3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 67 16.447 0.371 -3.868 1.00 0.00 H new ATOM 1066 N LYS A 68 13.096 0.187 -2.663 1.00 0.00 N ATOM 1067 CA LYS A 68 12.191 0.106 -3.797 1.00 0.00 C ATOM 1068 C LYS A 68 11.387 -1.193 -3.711 1.00 0.00 C ATOM 1069 O LYS A 68 11.959 -2.282 -3.710 1.00 0.00 O ATOM 1070 CB LYS A 68 12.960 0.267 -5.110 1.00 0.00 C ATOM 1071 CG LYS A 68 12.036 0.074 -6.314 1.00 0.00 C ATOM 1072 CD LYS A 68 12.003 1.331 -7.186 1.00 0.00 C ATOM 1073 CE LYS A 68 10.821 1.293 -8.156 1.00 0.00 C ATOM 1074 NZ LYS A 68 10.877 2.443 -9.086 1.00 0.00 N ATOM 0 H LYS A 68 13.504 -0.704 -2.378 1.00 0.00 H new ATOM 0 HA LYS A 68 11.475 0.927 -3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.414 1.257 -5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.773 -0.458 -5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.377 -0.775 -6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.029 -0.161 -5.970 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.931 2.215 -6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.935 1.415 -7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.836 0.360 -8.720 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.885 1.314 -7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.068 2.402 -9.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.841 3.330 -8.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.762 2.406 -9.631 1.00 0.00 H new ATOM 1088 N LEU A 69 10.074 -1.035 -3.640 1.00 0.00 N ATOM 1089 CA LEU A 69 9.186 -2.182 -3.553 1.00 0.00 C ATOM 1090 C LEU A 69 7.922 -1.905 -4.370 1.00 0.00 C ATOM 1091 O LEU A 69 7.387 -0.798 -4.337 1.00 0.00 O ATOM 1092 CB LEU A 69 8.908 -2.536 -2.091 1.00 0.00 C ATOM 1093 CG LEU A 69 8.096 -3.810 -1.852 1.00 0.00 C ATOM 1094 CD1 LEU A 69 8.992 -5.049 -1.902 1.00 0.00 C ATOM 1095 CD2 LEU A 69 7.312 -3.722 -0.541 1.00 0.00 C ATOM 0 H LEU A 69 9.603 -0.130 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 69 9.659 -3.064 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.863 -2.635 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.381 -1.701 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 69 7.368 -3.907 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.390 -5.941 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.466 -5.116 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.759 -4.974 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.743 -4.640 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.005 -3.589 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.628 -2.874 -0.582 1.00 0.00 H new ATOM 1107 N SER A 70 7.480 -2.931 -5.083 1.00 0.00 N ATOM 1108 CA SER A 70 6.289 -2.812 -5.906 1.00 0.00 C ATOM 1109 C SER A 70 5.620 -4.180 -6.059 1.00 0.00 C ATOM 1110 O SER A 70 6.273 -5.213 -5.923 1.00 0.00 O ATOM 1111 CB SER A 70 6.625 -2.229 -7.280 1.00 0.00 C ATOM 1112 OG SER A 70 5.470 -1.716 -7.939 1.00 0.00 O ATOM 0 H SER A 70 7.926 -3.848 -5.107 1.00 0.00 H new ATOM 0 HA SER A 70 5.598 -2.130 -5.411 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.361 -1.433 -7.166 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.083 -3.000 -7.899 1.00 0.00 H new ATOM 0 HG SER A 70 5.726 -1.351 -8.812 1.00 0.00 H new ATOM 1118 N PHE A 71 4.325 -4.142 -6.339 1.00 0.00 N ATOM 1119 CA PHE A 71 3.561 -5.365 -6.512 1.00 0.00 C ATOM 1120 C PHE A 71 2.304 -5.113 -7.348 1.00 0.00 C ATOM 1121 O PHE A 71 1.630 -4.100 -7.172 1.00 0.00 O ATOM 1122 CB PHE A 71 3.146 -5.834 -5.116 1.00 0.00 C ATOM 1123 CG PHE A 71 1.956 -5.069 -4.532 1.00 0.00 C ATOM 1124 CD1 PHE A 71 0.688 -5.502 -4.766 1.00 0.00 C ATOM 1125 CD2 PHE A 71 2.168 -3.957 -3.777 1.00 0.00 C ATOM 1126 CE1 PHE A 71 -0.415 -4.792 -4.223 1.00 0.00 C ATOM 1127 CE2 PHE A 71 1.064 -3.248 -3.235 1.00 0.00 C ATOM 1128 CZ PHE A 71 -0.204 -3.680 -3.469 1.00 0.00 C ATOM 0 H PHE A 71 3.786 -3.283 -6.450 1.00 0.00 H new ATOM 0 HA PHE A 71 4.165 -6.111 -7.029 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.898 -6.894 -5.159 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.996 -5.733 -4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.520 -6.385 -5.364 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.175 -3.614 -3.590 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.422 -5.135 -4.409 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.231 -2.365 -2.636 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.043 -3.140 -3.056 1.00 0.00 H new ATOM 1138 N THR A 72 2.027 -6.053 -8.240 1.00 0.00 N ATOM 1139 CA THR A 72 0.863 -5.946 -9.103 1.00 0.00 C ATOM 1140 C THR A 72 -0.358 -6.580 -8.433 1.00 0.00 C ATOM 1141 O THR A 72 -0.220 -7.483 -7.610 1.00 0.00 O ATOM 1142 CB THR A 72 1.214 -6.579 -10.451 1.00 0.00 C ATOM 1143 OG1 THR A 72 1.710 -7.871 -10.109 1.00 0.00 O ATOM 1144 CG2 THR A 72 2.401 -5.892 -11.129 1.00 0.00 C ATOM 0 H THR A 72 2.589 -6.892 -8.384 1.00 0.00 H new ATOM 0 HA THR A 72 0.594 -4.904 -9.277 1.00 0.00 H new ATOM 0 HB THR A 72 0.346 -6.537 -11.109 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.667 -7.811 -9.909 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.608 -6.380 -12.081 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.163 -4.843 -11.303 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.278 -5.963 -10.486 1.00 0.00 H new ATOM 1152 N TRP A 73 -1.526 -6.081 -8.811 1.00 0.00 N ATOM 1153 CA TRP A 73 -2.770 -6.587 -8.258 1.00 0.00 C ATOM 1154 C TRP A 73 -3.590 -7.183 -9.404 1.00 0.00 C ATOM 1155 O TRP A 73 -3.808 -6.528 -10.422 1.00 0.00 O ATOM 1156 CB TRP A 73 -3.517 -5.491 -7.496 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.490 -6.019 -6.440 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -5.123 -7.200 -6.419 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -4.919 -5.333 -5.245 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -5.925 -7.325 -5.303 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -5.796 -6.153 -4.566 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -4.575 -4.061 -4.754 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -6.404 -5.792 -3.358 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -5.191 -3.715 -3.545 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -6.077 -4.529 -2.849 1.00 0.00 C ATOM 0 H TRP A 73 -1.637 -5.331 -9.494 1.00 0.00 H new ATOM 0 HA TRP A 73 -2.575 -7.370 -7.525 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.790 -4.840 -7.012 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -4.068 -4.878 -8.209 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -5.019 -7.959 -7.180 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -6.505 -8.129 -5.063 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -3.890 -3.403 -5.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.089 -6.452 -2.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -4.961 -2.747 -3.124 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -6.511 -4.189 -1.920 1.00 0.00 H new ATOM 1221 N TRP A 78 -4.852 -2.283 -11.429 1.00 0.00 N ATOM 1222 CA TRP A 78 -4.249 -1.199 -10.673 1.00 0.00 C ATOM 1223 C TRP A 78 -2.946 -1.716 -10.061 1.00 0.00 C ATOM 1224 O TRP A 78 -2.850 -2.887 -9.695 1.00 0.00 O ATOM 1225 CB TRP A 78 -5.223 -0.649 -9.629 1.00 0.00 C ATOM 1226 CG TRP A 78 -6.551 -0.163 -10.212 1.00 0.00 C ATOM 1227 CD1 TRP A 78 -6.806 0.231 -11.468 1.00 0.00 C ATOM 1228 CD2 TRP A 78 -7.804 -0.033 -9.508 1.00 0.00 C ATOM 1229 NE1 TRP A 78 -8.126 0.603 -11.623 1.00 0.00 N ATOM 1230 CE2 TRP A 78 -8.752 0.437 -10.393 1.00 0.00 C ATOM 1231 CE3 TRP A 78 -8.125 -0.305 -8.166 1.00 0.00 C ATOM 1232 CZ2 TRP A 78 -10.083 0.677 -10.034 1.00 0.00 C ATOM 1233 CZ3 TRP A 78 -9.460 -0.059 -7.823 1.00 0.00 C ATOM 1234 CH2 TRP A 78 -10.426 0.414 -8.703 1.00 0.00 C ATOM 0 HA TRP A 78 -4.017 -0.357 -11.326 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.425 -1.425 -8.891 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.746 0.177 -9.101 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -6.071 0.254 -12.259 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -8.562 0.938 -12.482 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -7.399 -0.674 -7.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.807 1.045 -10.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -9.760 -0.250 -6.803 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -11.437 0.578 -8.361 1.00 0.00 H new ATOM 1245 N SER A 79 -1.975 -0.819 -9.968 1.00 0.00 N ATOM 1246 CA SER A 79 -0.682 -1.171 -9.406 1.00 0.00 C ATOM 1247 C SER A 79 -0.222 -0.084 -8.432 1.00 0.00 C ATOM 1248 O SER A 79 -0.427 1.103 -8.679 1.00 0.00 O ATOM 1249 CB SER A 79 0.360 -1.373 -10.508 1.00 0.00 C ATOM 1250 OG SER A 79 -0.216 -1.296 -11.809 1.00 0.00 O ATOM 0 H SER A 79 -2.058 0.151 -10.272 1.00 0.00 H new ATOM 0 HA SER A 79 -0.787 -2.112 -8.866 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.140 -0.618 -10.412 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.839 -2.344 -10.381 1.00 0.00 H new ATOM 0 HG SER A 79 0.482 -1.428 -12.484 1.00 0.00 H new ATOM 1256 N VAL A 80 0.392 -0.530 -7.346 1.00 0.00 N ATOM 1257 CA VAL A 80 0.884 0.390 -6.334 1.00 0.00 C ATOM 1258 C VAL A 80 2.362 0.103 -6.065 1.00 0.00 C ATOM 1259 O VAL A 80 2.779 -1.054 -6.038 1.00 0.00 O ATOM 1260 CB VAL A 80 0.018 0.295 -5.076 1.00 0.00 C ATOM 1261 CG1 VAL A 80 -0.129 -1.158 -4.620 1.00 0.00 C ATOM 1262 CG2 VAL A 80 0.583 1.167 -3.954 1.00 0.00 C ATOM 0 H VAL A 80 0.560 -1.516 -7.145 1.00 0.00 H new ATOM 0 HA VAL A 80 0.812 1.419 -6.686 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.975 0.670 -5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.749 -1.197 -3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.598 -1.742 -5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.855 -1.571 -4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.051 1.081 -3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.592 0.836 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.612 2.207 -4.280 1.00 0.00 H new ATOM 1272 N THR A 81 3.115 1.176 -5.872 1.00 0.00 N ATOM 1273 CA THR A 81 4.538 1.054 -5.606 1.00 0.00 C ATOM 1274 C THR A 81 4.870 1.602 -4.217 1.00 0.00 C ATOM 1275 O THR A 81 4.349 2.641 -3.815 1.00 0.00 O ATOM 1276 CB THR A 81 5.292 1.761 -6.735 1.00 0.00 C ATOM 1277 OG1 THR A 81 4.762 1.180 -7.923 1.00 0.00 O ATOM 1278 CG2 THR A 81 6.776 1.390 -6.769 1.00 0.00 C ATOM 0 H THR A 81 2.766 2.134 -5.895 1.00 0.00 H new ATOM 0 HA THR A 81 4.850 0.010 -5.591 1.00 0.00 H new ATOM 0 HB THR A 81 5.190 2.840 -6.620 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.972 0.223 -7.941 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.264 1.918 -7.588 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.243 1.672 -5.825 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.879 0.315 -6.918 1.00 0.00 H new ATOM 1286 N PHE A 82 5.736 0.879 -3.522 1.00 0.00 N ATOM 1287 CA PHE A 82 6.143 1.280 -2.186 1.00 0.00 C ATOM 1288 C PHE A 82 7.579 1.809 -2.187 1.00 0.00 C ATOM 1289 O PHE A 82 8.423 1.322 -2.937 1.00 0.00 O ATOM 1290 CB PHE A 82 6.072 0.033 -1.303 1.00 0.00 C ATOM 1291 CG PHE A 82 4.648 -0.392 -0.940 1.00 0.00 C ATOM 1292 CD1 PHE A 82 3.835 0.463 -0.264 1.00 0.00 C ATOM 1293 CD2 PHE A 82 4.195 -1.625 -1.293 1.00 0.00 C ATOM 1294 CE1 PHE A 82 2.513 0.069 0.074 1.00 0.00 C ATOM 1295 CE2 PHE A 82 2.873 -2.019 -0.955 1.00 0.00 C ATOM 1296 CZ PHE A 82 2.060 -1.164 -0.279 1.00 0.00 C ATOM 0 H PHE A 82 6.167 0.018 -3.859 1.00 0.00 H new ATOM 0 HA PHE A 82 5.491 2.074 -1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.567 -0.792 -1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.630 0.218 -0.385 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.195 1.442 0.016 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.840 -2.304 -1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.868 0.748 0.611 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.513 -2.998 -1.235 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.055 -1.464 -0.022 1.00 0.00 H new ATOM 1306 N HIS A 83 7.811 2.799 -1.337 1.00 0.00 N ATOM 1307 CA HIS A 83 9.130 3.399 -1.230 1.00 0.00 C ATOM 1308 C HIS A 83 9.451 3.673 0.241 1.00 0.00 C ATOM 1309 O HIS A 83 8.692 4.354 0.929 1.00 0.00 O ATOM 1310 CB HIS A 83 9.229 4.653 -2.102 1.00 0.00 C ATOM 1311 CG HIS A 83 8.771 4.448 -3.526 1.00 0.00 C ATOM 1312 ND1 HIS A 83 9.617 4.008 -4.530 1.00 0.00 N ATOM 1313 CD2 HIS A 83 7.548 4.625 -4.103 1.00 0.00 C ATOM 1314 CE1 HIS A 83 8.924 3.930 -5.656 1.00 0.00 C ATOM 1315 NE2 HIS A 83 7.642 4.313 -5.390 1.00 0.00 N ATOM 0 H HIS A 83 7.108 3.200 -0.716 1.00 0.00 H new ATOM 0 HA HIS A 83 9.881 2.705 -1.607 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.633 5.446 -1.650 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.263 4.997 -2.110 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.654 4.962 -3.598 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.307 3.618 -6.616 1.00 0.00 H new ATOM 0 HE2 HIS A 83 6.881 4.353 -6.068 1.00 0.00 H new ATOM 1323 N LEU A 84 10.577 3.129 0.678 1.00 0.00 N ATOM 1324 CA LEU A 84 11.008 3.306 2.055 1.00 0.00 C ATOM 1325 C LEU A 84 12.383 3.978 2.071 1.00 0.00 C ATOM 1326 O LEU A 84 13.107 3.943 1.078 1.00 0.00 O ATOM 1327 CB LEU A 84 10.966 1.974 2.805 1.00 0.00 C ATOM 1328 CG LEU A 84 9.592 1.538 3.320 1.00 0.00 C ATOM 1329 CD1 LEU A 84 9.011 0.419 2.453 1.00 0.00 C ATOM 1330 CD2 LEU A 84 9.661 1.141 4.796 1.00 0.00 C ATOM 0 H LEU A 84 11.204 2.566 0.104 1.00 0.00 H new ATOM 0 HA LEU A 84 10.323 3.966 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.349 1.196 2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.647 2.036 3.653 1.00 0.00 H new ATOM 0 HG LEU A 84 8.914 2.388 3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.035 0.128 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.904 0.772 1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.680 -0.441 2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.672 0.835 5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.359 0.313 4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.001 1.992 5.386 1.00 0.00 H new ATOM 1342 N LYS A 85 12.701 4.574 3.211 1.00 0.00 N ATOM 1343 CA LYS A 85 13.976 5.252 3.370 1.00 0.00 C ATOM 1344 C LYS A 85 14.099 5.767 4.806 1.00 0.00 C ATOM 1345 O LYS A 85 13.326 6.624 5.230 1.00 0.00 O ATOM 1346 CB LYS A 85 14.139 6.343 2.310 1.00 0.00 C ATOM 1347 CG LYS A 85 13.012 7.373 2.406 1.00 0.00 C ATOM 1348 CD LYS A 85 12.906 8.191 1.117 1.00 0.00 C ATOM 1349 CE LYS A 85 13.395 9.625 1.336 1.00 0.00 C ATOM 1350 NZ LYS A 85 13.762 10.250 0.046 1.00 0.00 N ATOM 0 H LYS A 85 12.098 4.601 4.033 1.00 0.00 H new ATOM 0 HA LYS A 85 14.800 4.557 3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.101 6.839 2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.142 5.893 1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.066 6.866 2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.194 8.039 3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.496 7.718 0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.871 8.204 0.774 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.615 10.211 1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.256 9.624 2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.092 11.222 0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.521 9.699 -0.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.931 10.268 -0.580 1.00 0.00 H new ATOM 1364 N GLU A 86 15.077 5.222 5.514 1.00 0.00 N ATOM 1365 CA GLU A 86 15.311 5.616 6.893 1.00 0.00 C ATOM 1366 C GLU A 86 15.745 7.082 6.961 1.00 0.00 C ATOM 1367 O GLU A 86 16.575 7.524 6.168 1.00 0.00 O ATOM 1368 CB GLU A 86 16.349 4.707 7.555 1.00 0.00 C ATOM 1369 CG GLU A 86 16.025 4.491 9.035 1.00 0.00 C ATOM 1370 CD GLU A 86 17.041 5.207 9.927 1.00 0.00 C ATOM 1371 OE1 GLU A 86 17.731 6.104 9.396 1.00 0.00 O ATOM 1372 OE2 GLU A 86 17.105 4.841 11.121 1.00 0.00 O ATOM 0 H GLU A 86 15.716 4.511 5.159 1.00 0.00 H new ATOM 0 HA GLU A 86 14.377 5.508 7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.377 3.746 7.041 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.340 5.149 7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.022 4.861 9.250 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.026 3.424 9.260 1.00 0.00 H new ATOM 1379 N GLU A 87 15.163 7.795 7.914 1.00 0.00 N ATOM 1380 CA GLU A 87 15.479 9.201 8.095 1.00 0.00 C ATOM 1381 C GLU A 87 16.302 9.401 9.369 1.00 0.00 C ATOM 1382 O GLU A 87 16.780 8.434 9.962 1.00 0.00 O ATOM 1383 CB GLU A 87 14.206 10.049 8.126 1.00 0.00 C ATOM 1384 CG GLU A 87 14.312 11.233 7.163 1.00 0.00 C ATOM 1385 CD GLU A 87 14.447 12.552 7.926 1.00 0.00 C ATOM 1386 OE1 GLU A 87 15.542 12.773 8.487 1.00 0.00 O ATOM 1387 OE2 GLU A 87 13.453 13.309 7.932 1.00 0.00 O ATOM 0 H GLU A 87 14.474 7.425 8.569 1.00 0.00 H new ATOM 0 HA GLU A 87 16.076 9.531 7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.348 9.433 7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.032 10.414 9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.173 11.098 6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.429 11.267 6.525 1.00 0.00 H new ATOM 1394 N GLU A 88 16.443 10.661 9.753 1.00 0.00 N ATOM 1395 CA GLU A 88 17.201 11.000 10.946 1.00 0.00 C ATOM 1396 C GLU A 88 16.879 10.018 12.075 1.00 0.00 C ATOM 1397 O GLU A 88 17.669 9.122 12.367 1.00 0.00 O ATOM 1398 CB GLU A 88 16.927 12.441 11.379 1.00 0.00 C ATOM 1399 CG GLU A 88 17.832 13.420 10.628 1.00 0.00 C ATOM 1400 CD GLU A 88 18.496 14.404 11.594 1.00 0.00 C ATOM 1401 OE1 GLU A 88 19.168 13.915 12.528 1.00 0.00 O ATOM 1402 OE2 GLU A 88 18.317 15.621 11.376 1.00 0.00 O ATOM 0 H GLU A 88 16.045 11.460 9.259 1.00 0.00 H new ATOM 0 HA GLU A 88 18.263 10.921 10.713 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.882 12.689 11.191 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.090 12.539 12.452 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.597 12.868 10.082 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.247 13.968 9.890 1.00 0.00 H new ATOM 1409 N ASN A 89 15.718 10.222 12.680 1.00 0.00 N ATOM 1410 CA ASN A 89 15.283 9.366 13.771 1.00 0.00 C ATOM 1411 C ASN A 89 13.871 8.855 13.479 1.00 0.00 C ATOM 1412 O ASN A 89 12.968 9.011 14.300 1.00 0.00 O ATOM 1413 CB ASN A 89 15.243 10.135 15.093 1.00 0.00 C ATOM 1414 CG ASN A 89 15.563 9.215 16.272 1.00 0.00 C ATOM 1415 OD1 ASN A 89 14.821 8.305 16.602 1.00 0.00 O ATOM 1416 ND2 ASN A 89 16.707 9.503 16.888 1.00 0.00 N ATOM 0 H ASN A 89 15.066 10.967 12.436 1.00 0.00 H new ATOM 0 HA ASN A 89 15.991 8.541 13.855 1.00 0.00 H new ATOM 0 HB2 ASN A 89 15.960 10.956 15.062 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.257 10.578 15.230 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.009 8.947 17.688 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.281 10.279 16.560 1.00 0.00 H new ATOM 1423 N GLY A 90 13.723 8.253 12.308 1.00 0.00 N ATOM 1424 CA GLY A 90 12.436 7.718 11.898 1.00 0.00 C ATOM 1425 C GLY A 90 12.514 7.121 10.491 1.00 0.00 C ATOM 1426 O GLY A 90 13.521 7.275 9.802 1.00 0.00 O ATOM 0 H GLY A 90 14.474 8.124 11.630 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.114 6.953 12.604 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.686 8.508 11.921 1.00 0.00 H new ATOM 1430 N THR A 91 11.437 6.451 10.107 1.00 0.00 N ATOM 1431 CA THR A 91 11.370 5.830 8.796 1.00 0.00 C ATOM 1432 C THR A 91 10.391 6.587 7.896 1.00 0.00 C ATOM 1433 O THR A 91 9.363 7.075 8.363 1.00 0.00 O ATOM 1434 CB THR A 91 11.003 4.357 8.988 1.00 0.00 C ATOM 1435 OG1 THR A 91 12.061 3.838 9.789 1.00 0.00 O ATOM 1436 CG2 THR A 91 11.093 3.557 7.687 1.00 0.00 C ATOM 0 H THR A 91 10.604 6.325 10.682 1.00 0.00 H new ATOM 0 HA THR A 91 12.333 5.877 8.288 1.00 0.00 H new ATOM 0 HB THR A 91 9.992 4.284 9.390 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.830 3.931 10.737 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.823 2.519 7.879 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.409 3.980 6.952 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.112 3.601 7.302 1.00 0.00 H new ATOM 1444 N ILE A 92 10.746 6.663 6.622 1.00 0.00 N ATOM 1445 CA ILE A 92 9.911 7.352 5.652 1.00 0.00 C ATOM 1446 C ILE A 92 9.134 6.322 4.831 1.00 0.00 C ATOM 1447 O ILE A 92 9.700 5.329 4.377 1.00 0.00 O ATOM 1448 CB ILE A 92 10.754 8.307 4.804 1.00 0.00 C ATOM 1449 CG1 ILE A 92 11.436 9.361 5.678 1.00 0.00 C ATOM 1450 CG2 ILE A 92 9.913 8.940 3.693 1.00 0.00 C ATOM 1451 CD1 ILE A 92 10.468 9.917 6.723 1.00 0.00 C ATOM 0 H ILE A 92 11.600 6.259 6.239 1.00 0.00 H new ATOM 0 HA ILE A 92 9.175 7.977 6.158 1.00 0.00 H new ATOM 0 HB ILE A 92 11.543 7.730 4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.301 8.922 6.176 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.807 10.173 5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.535 9.614 3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.515 8.157 3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.089 9.500 4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.978 10.664 7.331 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.616 10.377 6.222 1.00 0.00 H new ATOM 0 HD13 ILE A 92 10.118 9.107 7.362 1.00 0.00 H new ATOM 1463 N PHE A 93 7.848 6.595 4.664 1.00 0.00 N ATOM 1464 CA PHE A 93 6.986 5.704 3.905 1.00 0.00 C ATOM 1465 C PHE A 93 6.227 6.469 2.819 1.00 0.00 C ATOM 1466 O PHE A 93 5.450 7.375 3.121 1.00 0.00 O ATOM 1467 CB PHE A 93 5.980 5.108 4.891 1.00 0.00 C ATOM 1468 CG PHE A 93 5.328 3.811 4.407 1.00 0.00 C ATOM 1469 CD1 PHE A 93 4.234 3.859 3.600 1.00 0.00 C ATOM 1470 CD2 PHE A 93 5.843 2.609 4.783 1.00 0.00 C ATOM 1471 CE1 PHE A 93 3.630 2.656 3.151 1.00 0.00 C ATOM 1472 CE2 PHE A 93 5.238 1.406 4.334 1.00 0.00 C ATOM 1473 CZ PHE A 93 4.144 1.454 3.527 1.00 0.00 C ATOM 0 H PHE A 93 7.382 7.420 5.041 1.00 0.00 H new ATOM 0 HA PHE A 93 7.584 4.933 3.418 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.484 4.918 5.838 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.200 5.843 5.087 1.00 0.00 H new ATOM 0 HD1 PHE A 93 3.825 4.813 3.301 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.712 2.570 5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 93 2.761 2.695 2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.646 0.452 4.633 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.684 0.539 3.185 1.00 0.00 H new ATOM 1483 N THR A 94 6.478 6.077 1.579 1.00 0.00 N ATOM 1484 CA THR A 94 5.827 6.715 0.447 1.00 0.00 C ATOM 1485 C THR A 94 5.154 5.667 -0.441 1.00 0.00 C ATOM 1486 O THR A 94 5.809 4.746 -0.926 1.00 0.00 O ATOM 1487 CB THR A 94 6.874 7.553 -0.290 1.00 0.00 C ATOM 1488 OG1 THR A 94 7.329 8.481 0.692 1.00 0.00 O ATOM 1489 CG2 THR A 94 6.259 8.434 -1.379 1.00 0.00 C ATOM 0 H THR A 94 7.123 5.326 1.333 1.00 0.00 H new ATOM 0 HA THR A 94 5.028 7.380 0.774 1.00 0.00 H new ATOM 0 HB THR A 94 7.619 6.893 -0.735 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.012 9.064 0.300 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.045 9.007 -1.870 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.755 7.806 -2.113 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.538 9.117 -0.930 1.00 0.00 H new ATOM 1497 N ILE A 95 3.854 5.842 -0.627 1.00 0.00 N ATOM 1498 CA ILE A 95 3.084 4.923 -1.448 1.00 0.00 C ATOM 1499 C ILE A 95 2.666 5.628 -2.740 1.00 0.00 C ATOM 1500 O ILE A 95 2.372 6.822 -2.732 1.00 0.00 O ATOM 1501 CB ILE A 95 1.910 4.349 -0.653 1.00 0.00 C ATOM 1502 CG1 ILE A 95 0.813 3.836 -1.588 1.00 0.00 C ATOM 1503 CG2 ILE A 95 1.376 5.371 0.352 1.00 0.00 C ATOM 1504 CD1 ILE A 95 -0.175 4.951 -1.937 1.00 0.00 C ATOM 0 H ILE A 95 3.314 6.607 -0.223 1.00 0.00 H new ATOM 0 HA ILE A 95 3.694 4.066 -1.735 1.00 0.00 H new ATOM 0 HB ILE A 95 2.271 3.494 -0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.262 3.444 -2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.283 3.010 -1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.542 4.937 0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.169 5.645 1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.036 6.260 -0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.945 4.560 -2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.640 5.324 -1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.355 5.764 -2.433 1.00 0.00 H new ATOM 1516 N VAL A 96 2.653 4.859 -3.819 1.00 0.00 N ATOM 1517 CA VAL A 96 2.275 5.395 -5.115 1.00 0.00 C ATOM 1518 C VAL A 96 1.326 4.416 -5.810 1.00 0.00 C ATOM 1519 O VAL A 96 1.756 3.376 -6.308 1.00 0.00 O ATOM 1520 CB VAL A 96 3.527 5.701 -5.940 1.00 0.00 C ATOM 1521 CG1 VAL A 96 3.155 6.284 -7.305 1.00 0.00 C ATOM 1522 CG2 VAL A 96 4.467 6.639 -5.181 1.00 0.00 C ATOM 0 H VAL A 96 2.898 3.869 -3.822 1.00 0.00 H new ATOM 0 HA VAL A 96 1.741 6.338 -4.997 1.00 0.00 H new ATOM 0 HB VAL A 96 4.055 4.762 -6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.063 6.493 -7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.543 5.567 -7.852 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.594 7.208 -7.165 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.349 6.841 -5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.952 7.575 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.771 6.170 -4.245 1.00 0.00 H new ATOM 1532 N HIS A 97 0.053 4.783 -5.822 1.00 0.00 N ATOM 1533 CA HIS A 97 -0.960 3.950 -6.448 1.00 0.00 C ATOM 1534 C HIS A 97 -1.440 4.611 -7.742 1.00 0.00 C ATOM 1535 O HIS A 97 -2.042 5.683 -7.709 1.00 0.00 O ATOM 1536 CB HIS A 97 -2.102 3.658 -5.472 1.00 0.00 C ATOM 1537 CG HIS A 97 -3.164 2.741 -6.027 1.00 0.00 C ATOM 1538 ND1 HIS A 97 -4.518 2.964 -5.845 1.00 0.00 N ATOM 1539 CD2 HIS A 97 -3.059 1.596 -6.762 1.00 0.00 C ATOM 1540 CE1 HIS A 97 -5.187 1.992 -6.447 1.00 0.00 C ATOM 1541 NE2 HIS A 97 -4.281 1.145 -7.014 1.00 0.00 N ATOM 0 H HIS A 97 -0.300 5.646 -5.408 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.530 2.984 -6.712 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.688 3.212 -4.567 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.566 4.600 -5.180 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -4.931 3.744 -5.334 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -2.137 1.135 -7.084 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.261 1.888 -6.483 1.00 0.00 H new ATOM 1549 N SER A 98 -1.155 3.943 -8.850 1.00 0.00 N ATOM 1550 CA SER A 98 -1.550 4.452 -10.153 1.00 0.00 C ATOM 1551 C SER A 98 -2.176 3.331 -10.984 1.00 0.00 C ATOM 1552 O SER A 98 -2.001 2.153 -10.677 1.00 0.00 O ATOM 1553 CB SER A 98 -0.356 5.059 -10.893 1.00 0.00 C ATOM 1554 OG SER A 98 0.372 5.970 -10.074 1.00 0.00 O ATOM 0 H SER A 98 -0.655 3.054 -8.873 1.00 0.00 H new ATOM 0 HA SER A 98 -2.288 5.240 -10.003 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.308 4.261 -11.226 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.707 5.576 -11.786 1.00 0.00 H new ATOM 0 HG SER A 98 1.127 6.335 -10.582 1.00 0.00 H new ATOM 1889 N MET A 121 -10.794 5.383 -2.746 1.00 0.00 N ATOM 1890 CA MET A 121 -9.664 4.534 -2.409 1.00 0.00 C ATOM 1891 C MET A 121 -8.506 5.360 -1.846 1.00 0.00 C ATOM 1892 O MET A 121 -7.869 4.960 -0.874 1.00 0.00 O ATOM 1893 CB MET A 121 -9.198 3.785 -3.659 1.00 0.00 C ATOM 1894 CG MET A 121 -9.594 2.308 -3.593 1.00 0.00 C ATOM 1895 SD MET A 121 -8.170 1.312 -3.188 1.00 0.00 S ATOM 1896 CE MET A 121 -8.175 0.187 -4.575 1.00 0.00 C ATOM 0 HA MET A 121 -9.982 3.823 -1.646 1.00 0.00 H new ATOM 0 HB2 MET A 121 -9.635 4.243 -4.546 1.00 0.00 H new ATOM 0 HB3 MET A 121 -8.116 3.871 -3.757 1.00 0.00 H new ATOM 0 HG2 MET A 121 -10.373 2.165 -2.844 1.00 0.00 H new ATOM 0 HG3 MET A 121 -10.009 1.991 -4.550 1.00 0.00 H new ATOM 0 HE1 MET A 121 -7.486 -0.635 -4.379 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.180 -0.209 -4.719 1.00 0.00 H new ATOM 0 HE3 MET A 121 -7.861 0.717 -5.474 1.00 0.00 H new ATOM 1906 N ASP A 122 -8.269 6.498 -2.483 1.00 0.00 N ATOM 1907 CA ASP A 122 -7.199 7.384 -2.058 1.00 0.00 C ATOM 1908 C ASP A 122 -7.349 7.679 -0.564 1.00 0.00 C ATOM 1909 O ASP A 122 -6.373 7.634 0.183 1.00 0.00 O ATOM 1910 CB ASP A 122 -7.254 8.715 -2.811 1.00 0.00 C ATOM 1911 CG ASP A 122 -6.256 9.771 -2.332 1.00 0.00 C ATOM 1912 OD1 ASP A 122 -5.116 9.748 -2.845 1.00 0.00 O ATOM 1913 OD2 ASP A 122 -6.655 10.577 -1.464 1.00 0.00 O ATOM 0 H ASP A 122 -8.800 6.826 -3.290 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.250 6.890 -2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.078 8.524 -3.870 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.261 9.123 -2.724 1.00 0.00 H new ATOM 1918 N ARG A 123 -8.580 7.975 -0.173 1.00 0.00 N ATOM 1919 CA ARG A 123 -8.871 8.278 1.218 1.00 0.00 C ATOM 1920 C ARG A 123 -8.450 7.112 2.114 1.00 0.00 C ATOM 1921 O ARG A 123 -7.650 7.287 3.032 1.00 0.00 O ATOM 1922 CB ARG A 123 -10.362 8.555 1.421 1.00 0.00 C ATOM 1923 CG ARG A 123 -10.769 9.876 0.763 1.00 0.00 C ATOM 1924 CD ARG A 123 -10.240 11.070 1.559 1.00 0.00 C ATOM 1925 NE ARG A 123 -10.963 12.300 1.166 1.00 0.00 N ATOM 1926 CZ ARG A 123 -12.256 12.531 1.434 1.00 0.00 C ATOM 1927 NH1 ARG A 123 -12.975 11.616 2.098 1.00 0.00 N ATOM 1928 NH2 ARG A 123 -12.828 13.676 1.038 1.00 0.00 N ATOM 0 H ARG A 123 -9.387 8.011 -0.795 1.00 0.00 H new ATOM 0 HA ARG A 123 -8.307 9.171 1.488 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -10.948 7.739 0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.587 8.591 2.487 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -10.383 9.913 -0.256 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -11.855 9.933 0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -10.365 10.890 2.627 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -9.172 11.193 1.380 1.00 0.00 H new ATOM 0 HE ARG A 123 -10.445 13.017 0.659 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -12.538 10.745 2.399 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -13.959 11.791 2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -12.280 14.372 0.533 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -13.812 13.852 1.242 1.00 0.00 H new ATOM 1942 N GLY A 124 -9.007 5.947 1.817 1.00 0.00 N ATOM 1943 CA GLY A 124 -8.699 4.752 2.584 1.00 0.00 C ATOM 1944 C GLY A 124 -7.219 4.387 2.459 1.00 0.00 C ATOM 1945 O GLY A 124 -6.636 3.818 3.380 1.00 0.00 O ATOM 0 H GLY A 124 -9.670 5.805 1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.950 4.914 3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.313 3.922 2.233 1.00 0.00 H new ATOM 1949 N TRP A 125 -6.653 4.729 1.311 1.00 0.00 N ATOM 1950 CA TRP A 125 -5.251 4.444 1.053 1.00 0.00 C ATOM 1951 C TRP A 125 -4.414 5.250 2.048 1.00 0.00 C ATOM 1952 O TRP A 125 -3.479 4.722 2.649 1.00 0.00 O ATOM 1953 CB TRP A 125 -4.892 4.737 -0.405 1.00 0.00 C ATOM 1954 CG TRP A 125 -4.750 3.486 -1.274 1.00 0.00 C ATOM 1955 CD1 TRP A 125 -5.483 3.133 -2.339 1.00 0.00 C ATOM 1956 CD2 TRP A 125 -3.781 2.429 -1.108 1.00 0.00 C ATOM 1957 NE1 TRP A 125 -5.059 1.932 -2.869 1.00 0.00 N ATOM 1958 CE2 TRP A 125 -3.991 1.490 -2.097 1.00 0.00 C ATOM 1959 CE3 TRP A 125 -2.760 2.272 -0.154 1.00 0.00 C ATOM 1960 CZ2 TRP A 125 -3.221 0.328 -2.228 1.00 0.00 C ATOM 1961 CZ3 TRP A 125 -1.999 1.105 -0.298 1.00 0.00 C ATOM 1962 CH2 TRP A 125 -2.199 0.150 -1.288 1.00 0.00 C ATOM 0 H TRP A 125 -7.140 5.201 0.549 1.00 0.00 H new ATOM 0 HA TRP A 125 -5.039 3.385 1.198 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -5.659 5.381 -0.835 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -3.956 5.295 -0.433 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -6.303 3.716 -2.733 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.456 1.456 -3.679 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -2.577 2.994 0.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -3.405 -0.392 -3.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -1.201 0.935 0.410 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -1.569 -0.726 -1.332 1.00 0.00 H new ATOM 1973 N HIS A 126 -4.780 6.515 2.192 1.00 0.00 N ATOM 1974 CA HIS A 126 -4.074 7.399 3.105 1.00 0.00 C ATOM 1975 C HIS A 126 -4.289 6.928 4.545 1.00 0.00 C ATOM 1976 O HIS A 126 -3.328 6.687 5.273 1.00 0.00 O ATOM 1977 CB HIS A 126 -4.495 8.853 2.887 1.00 0.00 C ATOM 1978 CG HIS A 126 -3.549 9.864 3.492 1.00 0.00 C ATOM 1979 ND1 HIS A 126 -2.178 9.681 3.525 1.00 0.00 N ATOM 1980 CD2 HIS A 126 -3.792 11.068 4.085 1.00 0.00 C ATOM 1981 CE1 HIS A 126 -1.630 10.733 4.114 1.00 0.00 C ATOM 1982 NE2 HIS A 126 -2.632 11.591 4.461 1.00 0.00 N ATOM 0 H HIS A 126 -5.556 6.949 1.692 1.00 0.00 H new ATOM 0 HA HIS A 126 -3.004 7.358 2.903 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.575 9.041 1.816 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -5.488 9.001 3.311 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -4.763 11.519 4.225 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -0.575 10.885 4.289 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -2.510 12.487 4.932 1.00 0.00 H new ATOM 1990 N ASP A 127 -5.557 6.811 4.912 1.00 0.00 N ATOM 1991 CA ASP A 127 -5.911 6.374 6.251 1.00 0.00 C ATOM 1992 C ASP A 127 -5.192 5.059 6.560 1.00 0.00 C ATOM 1993 O ASP A 127 -4.678 4.873 7.662 1.00 0.00 O ATOM 1994 CB ASP A 127 -7.417 6.128 6.371 1.00 0.00 C ATOM 1995 CG ASP A 127 -8.300 7.233 5.788 1.00 0.00 C ATOM 1996 OD1 ASP A 127 -7.857 8.401 5.840 1.00 0.00 O ATOM 1997 OD2 ASP A 127 -9.399 6.886 5.304 1.00 0.00 O ATOM 0 H ASP A 127 -6.352 7.011 4.305 1.00 0.00 H new ATOM 0 HA ASP A 127 -5.617 7.157 6.950 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.658 5.190 5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.667 6.002 7.424 1.00 0.00 H new ATOM 2002 N LEU A 128 -5.179 4.181 5.568 1.00 0.00 N ATOM 2003 CA LEU A 128 -4.531 2.889 5.721 1.00 0.00 C ATOM 2004 C LEU A 128 -3.040 3.100 5.990 1.00 0.00 C ATOM 2005 O LEU A 128 -2.466 2.453 6.865 1.00 0.00 O ATOM 2006 CB LEU A 128 -4.818 2.000 4.509 1.00 0.00 C ATOM 2007 CG LEU A 128 -4.026 0.693 4.434 1.00 0.00 C ATOM 2008 CD1 LEU A 128 -4.517 -0.306 5.483 1.00 0.00 C ATOM 2009 CD2 LEU A 128 -4.068 0.107 3.021 1.00 0.00 C ATOM 0 H LEU A 128 -5.607 4.339 4.655 1.00 0.00 H new ATOM 0 HA LEU A 128 -4.938 2.357 6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.881 1.759 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -4.618 2.576 3.605 1.00 0.00 H new ATOM 0 HG LEU A 128 -2.983 0.912 4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.938 -1.226 5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -4.393 0.121 6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.571 -0.526 5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.498 -0.821 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -5.102 -0.095 2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -3.634 0.819 2.319 1.00 0.00 H new ATOM 2021 N VAL A 129 -2.455 4.007 5.221 1.00 0.00 N ATOM 2022 CA VAL A 129 -1.041 4.310 5.366 1.00 0.00 C ATOM 2023 C VAL A 129 -0.879 5.570 6.219 1.00 0.00 C ATOM 2024 O VAL A 129 -0.019 6.404 5.943 1.00 0.00 O ATOM 2025 CB VAL A 129 -0.389 4.434 3.987 1.00 0.00 C ATOM 2026 CG1 VAL A 129 -0.841 5.713 3.280 1.00 0.00 C ATOM 2027 CG2 VAL A 129 1.136 4.377 4.095 1.00 0.00 C ATOM 0 H VAL A 129 -2.934 4.541 4.496 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.527 3.499 5.883 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.714 3.586 3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -0.363 5.777 2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.924 5.696 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -0.559 6.579 3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.575 4.467 3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 129 1.487 5.196 4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.434 3.427 4.538 1.00 0.00 H new ATOM 2037 N ASN A 130 -1.721 5.668 7.238 1.00 0.00 N ATOM 2038 CA ASN A 130 -1.682 6.812 8.133 1.00 0.00 C ATOM 2039 C ASN A 130 -1.439 6.326 9.564 1.00 0.00 C ATOM 2040 O ASN A 130 -0.384 6.585 10.141 1.00 0.00 O ATOM 2041 CB ASN A 130 -3.008 7.574 8.111 1.00 0.00 C ATOM 2042 CG ASN A 130 -2.788 9.047 7.761 1.00 0.00 C ATOM 2043 OD1 ASN A 130 -3.227 9.949 8.455 1.00 0.00 O ATOM 2044 ND2 ASN A 130 -2.085 9.240 6.649 1.00 0.00 N ATOM 0 H ASN A 130 -2.434 4.974 7.463 1.00 0.00 H new ATOM 0 HA ASN A 130 -0.881 7.473 7.801 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.680 7.120 7.383 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -3.492 7.496 9.084 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -1.884 10.188 6.331 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -1.747 8.440 6.114 1.00 0.00 H new ATOM 2051 N GLU A 131 -2.434 5.631 10.095 1.00 0.00 N ATOM 2052 CA GLU A 131 -2.342 5.106 11.447 1.00 0.00 C ATOM 2053 C GLU A 131 -2.451 3.580 11.433 1.00 0.00 C ATOM 2054 O GLU A 131 -1.817 2.902 12.240 1.00 0.00 O ATOM 2055 CB GLU A 131 -3.413 5.724 12.348 1.00 0.00 C ATOM 2056 CG GLU A 131 -4.814 5.462 11.794 1.00 0.00 C ATOM 2057 CD GLU A 131 -5.607 4.539 12.722 1.00 0.00 C ATOM 2058 OE1 GLU A 131 -5.126 3.407 12.943 1.00 0.00 O ATOM 2059 OE2 GLU A 131 -6.677 4.987 13.188 1.00 0.00 O ATOM 0 H GLU A 131 -3.308 5.419 9.614 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.369 5.377 11.856 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.332 5.309 13.353 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.247 6.798 12.433 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.344 6.407 11.675 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -4.739 5.012 10.804 1.00 0.00 H new ATOM 2066 N ARG A 132 -3.259 3.085 10.508 1.00 0.00 N ATOM 2067 CA ARG A 132 -3.459 1.652 10.379 1.00 0.00 C ATOM 2068 C ARG A 132 -2.120 0.947 10.157 1.00 0.00 C ATOM 2069 O ARG A 132 -1.899 -0.150 10.668 1.00 0.00 O ATOM 2070 CB ARG A 132 -4.397 1.329 9.213 1.00 0.00 C ATOM 2071 CG ARG A 132 -5.749 2.023 9.389 1.00 0.00 C ATOM 2072 CD ARG A 132 -6.794 1.054 9.946 1.00 0.00 C ATOM 2073 NE ARG A 132 -6.857 1.172 11.420 1.00 0.00 N ATOM 2074 CZ ARG A 132 -7.497 2.154 12.069 1.00 0.00 C ATOM 2075 NH1 ARG A 132 -8.133 3.110 11.378 1.00 0.00 N ATOM 2076 NH2 ARG A 132 -7.502 2.180 13.409 1.00 0.00 N ATOM 0 H ARG A 132 -3.783 3.651 9.840 1.00 0.00 H new ATOM 0 HA ARG A 132 -3.912 1.296 11.304 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -3.940 1.647 8.276 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -4.543 0.251 9.147 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -5.641 2.873 10.063 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -6.087 2.417 8.431 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -7.771 1.271 9.513 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -6.541 0.032 9.665 1.00 0.00 H new ATOM 0 HE ARG A 132 -6.383 0.461 11.977 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -8.130 3.090 10.358 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -8.620 3.858 11.872 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -7.018 1.452 13.935 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -7.989 2.928 13.903 1.00 0.00 H new ATOM 2090 N LEU A 133 -1.260 1.605 9.394 1.00 0.00 N ATOM 2091 CA LEU A 133 0.052 1.056 9.098 1.00 0.00 C ATOM 2092 C LEU A 133 1.027 1.446 10.211 1.00 0.00 C ATOM 2093 O LEU A 133 1.933 0.684 10.543 1.00 0.00 O ATOM 2094 CB LEU A 133 0.510 1.483 7.702 1.00 0.00 C ATOM 2095 CG LEU A 133 1.994 1.277 7.390 1.00 0.00 C ATOM 2096 CD1 LEU A 133 2.395 -0.188 7.578 1.00 0.00 C ATOM 2097 CD2 LEU A 133 2.336 1.790 5.990 1.00 0.00 C ATOM 0 H LEU A 133 -1.447 2.514 8.971 1.00 0.00 H new ATOM 0 HA LEU A 133 0.012 -0.033 9.076 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.075 0.933 6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.275 2.539 7.572 1.00 0.00 H new ATOM 0 HG LEU A 133 2.577 1.864 8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.454 -0.307 7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.210 -0.486 8.610 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.807 -0.815 6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.396 1.632 5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.745 1.250 5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 133 2.110 2.855 5.927 1.00 0.00 H new ATOM 2109 N ARG A 134 0.807 2.633 10.757 1.00 0.00 N ATOM 2110 CA ARG A 134 1.655 3.134 11.825 1.00 0.00 C ATOM 2111 C ARG A 134 1.564 2.219 13.048 1.00 0.00 C ATOM 2112 O ARG A 134 2.574 1.927 13.686 1.00 0.00 O ATOM 2113 CB ARG A 134 1.251 4.554 12.229 1.00 0.00 C ATOM 2114 CG ARG A 134 2.258 5.151 13.214 1.00 0.00 C ATOM 2115 CD ARG A 134 1.545 5.775 14.416 1.00 0.00 C ATOM 2116 NE ARG A 134 2.431 6.761 15.074 1.00 0.00 N ATOM 2117 CZ ARG A 134 2.091 7.470 16.159 1.00 0.00 C ATOM 2118 NH1 ARG A 134 0.881 7.308 16.713 1.00 0.00 N ATOM 2119 NH2 ARG A 134 2.959 8.342 16.689 1.00 0.00 N ATOM 0 H ARG A 134 0.054 3.262 10.480 1.00 0.00 H new ATOM 0 HA ARG A 134 2.680 3.151 11.454 1.00 0.00 H new ATOM 0 HB2 ARG A 134 1.187 5.184 11.342 1.00 0.00 H new ATOM 0 HB3 ARG A 134 0.259 4.539 12.681 1.00 0.00 H new ATOM 0 HG2 ARG A 134 2.942 4.374 13.555 1.00 0.00 H new ATOM 0 HG3 ARG A 134 2.860 5.908 12.711 1.00 0.00 H new ATOM 0 HD2 ARG A 134 0.625 6.260 14.092 1.00 0.00 H new ATOM 0 HD3 ARG A 134 1.262 4.997 15.126 1.00 0.00 H new ATOM 0 HE ARG A 134 3.359 6.910 14.677 1.00 0.00 H new ATOM 0 HH11 ARG A 134 0.220 6.645 16.309 1.00 0.00 H new ATOM 0 HH12 ARG A 134 0.622 7.848 17.539 1.00 0.00 H new ATOM 0 HH21 ARG A 134 3.879 8.466 16.267 1.00 0.00 H new ATOM 0 HH22 ARG A 134 2.700 8.882 17.515 1.00 0.00 H new ATOM 2133 N GLN A 135 0.344 1.791 13.338 1.00 0.00 N ATOM 2134 CA GLN A 135 0.108 0.915 14.473 1.00 0.00 C ATOM 2135 C GLN A 135 0.936 -0.364 14.337 1.00 0.00 C ATOM 2136 O GLN A 135 1.319 -0.969 15.337 1.00 0.00 O ATOM 2137 CB GLN A 135 -1.381 0.592 14.616 1.00 0.00 C ATOM 2138 CG GLN A 135 -1.948 1.184 15.908 1.00 0.00 C ATOM 2139 CD GLN A 135 -3.408 0.771 16.105 1.00 0.00 C ATOM 2140 OE1 GLN A 135 -3.851 -0.273 15.655 1.00 0.00 O ATOM 2141 NE2 GLN A 135 -4.128 1.645 16.802 1.00 0.00 N ATOM 0 H GLN A 135 -0.492 2.035 12.806 1.00 0.00 H new ATOM 0 HA GLN A 135 0.422 1.433 15.379 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -1.927 0.988 13.760 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.524 -0.489 14.613 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.353 0.848 16.758 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -1.875 2.271 15.877 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -3.695 2.500 17.150 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -5.114 1.460 16.989 1.00 0.00 H new ATOM 2150 N ILE A 136 1.187 -0.739 13.091 1.00 0.00 N ATOM 2151 CA ILE A 136 1.963 -1.935 12.811 1.00 0.00 C ATOM 2152 C ILE A 136 3.346 -1.802 13.451 1.00 0.00 C ATOM 2153 O ILE A 136 3.968 -2.802 13.808 1.00 0.00 O ATOM 2154 CB ILE A 136 2.004 -2.207 11.306 1.00 0.00 C ATOM 2155 CG1 ILE A 136 0.594 -2.221 10.712 1.00 0.00 C ATOM 2156 CG2 ILE A 136 2.767 -3.499 11.003 1.00 0.00 C ATOM 2157 CD1 ILE A 136 -0.301 -3.219 11.449 1.00 0.00 C ATOM 0 H ILE A 136 0.866 -0.235 12.264 1.00 0.00 H new ATOM 0 HA ILE A 136 1.489 -2.810 13.256 1.00 0.00 H new ATOM 0 HB ILE A 136 2.547 -1.392 10.826 1.00 0.00 H new ATOM 0 HG12 ILE A 136 0.160 -1.223 10.773 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.643 -2.483 9.655 1.00 0.00 H new ATOM 0 HG21 ILE A 136 2.781 -3.669 9.926 1.00 0.00 H new ATOM 0 HG22 ILE A 136 3.790 -3.412 11.370 1.00 0.00 H new ATOM 0 HG23 ILE A 136 2.274 -4.337 11.496 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.297 -3.209 11.007 1.00 0.00 H new ATOM 0 HD12 ILE A 136 0.123 -4.219 11.365 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -0.368 -2.940 12.501 1.00 0.00 H new ATOM 2169 N VAL A 137 3.788 -0.560 13.576 1.00 0.00 N ATOM 2170 CA VAL A 137 5.087 -0.283 14.166 1.00 0.00 C ATOM 2171 C VAL A 137 4.892 0.434 15.503 1.00 0.00 C ATOM 2172 O VAL A 137 5.816 0.510 16.311 1.00 0.00 O ATOM 2173 CB VAL A 137 5.950 0.510 13.182 1.00 0.00 C ATOM 2174 CG1 VAL A 137 6.221 -0.301 11.913 1.00 0.00 C ATOM 2175 CG2 VAL A 137 5.304 1.855 12.846 1.00 0.00 C ATOM 0 H VAL A 137 3.270 0.267 13.279 1.00 0.00 H new ATOM 0 HA VAL A 137 5.620 -1.212 14.370 1.00 0.00 H new ATOM 0 HB VAL A 137 6.908 0.710 13.663 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.836 0.286 11.231 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.744 -1.221 12.174 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.276 -0.546 11.429 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.938 2.398 12.145 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.326 1.686 12.395 1.00 0.00 H new ATOM 0 HG23 VAL A 137 5.187 2.440 13.758 1.00 0.00 H new ATOM 2185 N GLU A 138 3.684 0.943 15.695 1.00 0.00 N ATOM 2186 CA GLU A 138 3.356 1.652 16.920 1.00 0.00 C ATOM 2187 C GLU A 138 2.463 0.786 17.812 1.00 0.00 C ATOM 2188 O GLU A 138 1.800 1.296 18.714 1.00 0.00 O ATOM 2189 CB GLU A 138 2.689 2.995 16.616 1.00 0.00 C ATOM 2190 CG GLU A 138 3.725 4.118 16.547 1.00 0.00 C ATOM 2191 CD GLU A 138 3.721 4.948 17.833 1.00 0.00 C ATOM 2192 OE1 GLU A 138 3.336 4.376 18.875 1.00 0.00 O ATOM 2193 OE2 GLU A 138 4.103 6.134 17.744 1.00 0.00 O ATOM 0 H GLU A 138 2.920 0.878 15.022 1.00 0.00 H new ATOM 0 HA GLU A 138 4.283 1.857 17.456 1.00 0.00 H new ATOM 0 HB2 GLU A 138 2.152 2.932 15.670 1.00 0.00 H new ATOM 0 HB3 GLU A 138 1.952 3.222 17.387 1.00 0.00 H new ATOM 0 HG2 GLU A 138 4.716 3.694 16.387 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.512 4.762 15.694 1.00 0.00 H new