USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 741 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 83 ASN : amide:sc= -5.99! C(o=-5!,f=-7.5!) USER MOD Set 1.2: A 103 THR OG1 : rot 151:sc= 1 USER MOD Set 2.1: A 50 ASN : amide:sc= -0.0396 X(o=-0.04,f=-0.3) USER MOD Set 2.2: A 53 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.96 K(o=-0.96,f=-0.33) USER MOD Single : A 19 GLN : amide:sc= -0.215 K(o=-0.22,f=-2.3!) USER MOD Single : A 20 MET CE :methyl 167:sc= 0 (180deg=-0.241) USER MOD Single : A 22 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.55) USER MOD Single : A 25 GLN : amide:sc= -0.089 X(o=-0.089,f=-0.28) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 100:sc= 0.546 USER MOD Single : A 49 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.00034) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot -140:sc= -0.0753 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.011 K(o=-0.011,f=-1.2) USER MOD Single : A 78 GLN : amide:sc= 0.287 K(o=0.29,f=-4.1!) USER MOD Single : A 84 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.059) USER MOD Single : A 85 THR OG1 : rot -11:sc= 0.898 USER MOD Single : A 89 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.25) USER MOD Single : A 90 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.8!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -3.35! C(o=-3.3!,f=-3.5!) USER MOD Single : A 94 GLN : amide:sc= -0.0603 X(o=-0.06,f=0) USER MOD Single : A 95 GLN : amide:sc= -1.67 X(o=-1.7,f=-1.7) USER MOD Single : A 101 GLN : amide:sc= -1.76! K(o=-1.8!,f=-0.21) USER MOD Single : A 102 GLN : amide:sc= -4.33! C(o=-4.3!,f=-7.9!) USER MOD Single : A 104 THR OG1 : rot 9:sc= 0.343 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 121 N ASP A 12 3.992 -12.303 -13.048 1.00 0.00 N ATOM 122 CA ASP A 12 3.862 -10.954 -13.586 1.00 0.00 C ATOM 123 C ASP A 12 3.341 -9.993 -12.521 1.00 0.00 C ATOM 124 O ASP A 12 2.904 -10.414 -11.450 1.00 0.00 O ATOM 125 CB ASP A 12 2.925 -10.952 -14.795 1.00 0.00 C ATOM 126 CG ASP A 12 3.092 -12.186 -15.658 1.00 0.00 C ATOM 127 OD1 ASP A 12 2.779 -13.295 -15.175 1.00 0.00 O ATOM 128 OD2 ASP A 12 3.534 -12.044 -16.817 1.00 0.00 O ATOM 0 HA ASP A 12 4.850 -10.618 -13.902 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.893 -10.890 -14.451 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.115 -10.063 -15.397 1.00 0.00 H new ATOM 133 N PHE A 13 3.392 -8.700 -12.823 1.00 0.00 N ATOM 134 CA PHE A 13 2.927 -7.679 -11.892 1.00 0.00 C ATOM 135 C PHE A 13 1.531 -8.010 -11.374 1.00 0.00 C ATOM 136 O PHE A 13 1.195 -7.712 -10.228 1.00 0.00 O ATOM 137 CB PHE A 13 2.920 -6.306 -12.568 1.00 0.00 C ATOM 138 CG PHE A 13 2.251 -5.238 -11.751 1.00 0.00 C ATOM 139 CD1 PHE A 13 2.499 -5.129 -10.392 1.00 0.00 C ATOM 140 CD2 PHE A 13 1.373 -4.344 -12.342 1.00 0.00 C ATOM 141 CE1 PHE A 13 1.884 -4.148 -9.638 1.00 0.00 C ATOM 142 CE2 PHE A 13 0.756 -3.360 -11.593 1.00 0.00 C ATOM 143 CZ PHE A 13 1.011 -3.263 -10.239 1.00 0.00 C ATOM 0 H PHE A 13 3.751 -8.335 -13.705 1.00 0.00 H new ATOM 0 HA PHE A 13 3.613 -7.656 -11.046 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.948 -6.005 -12.772 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.414 -6.386 -13.530 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.181 -5.819 -9.917 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.168 -4.417 -13.400 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.086 -4.074 -8.580 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.075 -2.668 -12.066 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.528 -2.496 -9.651 1.00 0.00 H new ATOM 153 N ASN A 14 0.721 -8.628 -12.227 1.00 0.00 N ATOM 154 CA ASN A 14 -0.640 -8.999 -11.857 1.00 0.00 C ATOM 155 C ASN A 14 -0.642 -10.223 -10.946 1.00 0.00 C ATOM 156 O ASN A 14 -1.555 -10.410 -10.142 1.00 0.00 O ATOM 157 CB ASN A 14 -1.473 -9.281 -13.110 1.00 0.00 C ATOM 158 CG ASN A 14 -2.168 -8.039 -13.633 1.00 0.00 C ATOM 159 OD1 ASN A 14 -3.393 -7.929 -13.576 1.00 0.00 O ATOM 160 ND2 ASN A 14 -1.387 -7.095 -14.146 1.00 0.00 N ATOM 0 H ASN A 14 0.983 -8.883 -13.179 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.083 -8.163 -11.315 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.827 -9.688 -13.888 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.219 -10.043 -12.884 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.798 -6.237 -14.513 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.376 -7.228 -14.173 1.00 0.00 H new ATOM 167 N SER A 15 0.388 -11.053 -11.078 1.00 0.00 N ATOM 168 CA SER A 15 0.504 -12.261 -10.269 1.00 0.00 C ATOM 169 C SER A 15 1.088 -11.941 -8.896 1.00 0.00 C ATOM 170 O SER A 15 0.558 -12.367 -7.869 1.00 0.00 O ATOM 171 CB SER A 15 1.380 -13.294 -10.980 1.00 0.00 C ATOM 172 OG SER A 15 1.033 -14.611 -10.591 1.00 0.00 O ATOM 0 H SER A 15 1.154 -10.911 -11.737 1.00 0.00 H new ATOM 0 HA SER A 15 -0.495 -12.675 -10.132 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.268 -13.189 -12.059 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.429 -13.107 -10.748 1.00 0.00 H new ATOM 0 HG SER A 15 1.606 -15.252 -11.061 1.00 0.00 H new ATOM 178 N VAL A 16 2.183 -11.188 -8.886 1.00 0.00 N ATOM 179 CA VAL A 16 2.839 -10.809 -7.641 1.00 0.00 C ATOM 180 C VAL A 16 1.849 -10.180 -6.667 1.00 0.00 C ATOM 181 O VAL A 16 1.810 -10.535 -5.489 1.00 0.00 O ATOM 182 CB VAL A 16 3.994 -9.821 -7.892 1.00 0.00 C ATOM 183 CG1 VAL A 16 3.520 -8.651 -8.741 1.00 0.00 C ATOM 184 CG2 VAL A 16 4.574 -9.333 -6.573 1.00 0.00 C ATOM 0 H VAL A 16 2.635 -10.828 -9.727 1.00 0.00 H new ATOM 0 HA VAL A 16 3.242 -11.723 -7.205 1.00 0.00 H new ATOM 0 HB VAL A 16 4.781 -10.340 -8.438 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.349 -7.963 -8.908 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.156 -9.021 -9.700 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.714 -8.129 -8.224 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.389 -8.636 -6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.797 -8.830 -5.998 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.953 -10.183 -6.005 1.00 0.00 H new ATOM 194 N ILE A 17 1.050 -9.243 -7.167 1.00 0.00 N ATOM 195 CA ILE A 17 0.058 -8.565 -6.342 1.00 0.00 C ATOM 196 C ILE A 17 -1.016 -9.536 -5.865 1.00 0.00 C ATOM 197 O ILE A 17 -1.430 -9.498 -4.707 1.00 0.00 O ATOM 198 CB ILE A 17 -0.613 -7.408 -7.105 1.00 0.00 C ATOM 199 CG1 ILE A 17 0.440 -6.408 -7.589 1.00 0.00 C ATOM 200 CG2 ILE A 17 -1.641 -6.716 -6.222 1.00 0.00 C ATOM 201 CD1 ILE A 17 1.119 -5.656 -6.466 1.00 0.00 C ATOM 0 H ILE A 17 1.070 -8.936 -8.140 1.00 0.00 H new ATOM 0 HA ILE A 17 0.588 -8.161 -5.479 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.126 -7.817 -7.975 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.195 -6.939 -8.168 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.032 -5.692 -8.262 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.106 -5.901 -6.776 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.405 -7.433 -5.922 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.149 -6.318 -5.335 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.853 -4.965 -6.882 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.374 -5.097 -5.900 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.620 -6.363 -5.806 1.00 0.00 H new ATOM 213 N GLN A 18 -1.462 -10.405 -6.766 1.00 0.00 N ATOM 214 CA GLN A 18 -2.489 -11.387 -6.437 1.00 0.00 C ATOM 215 C GLN A 18 -1.953 -12.428 -5.459 1.00 0.00 C ATOM 216 O GLN A 18 -2.720 -13.087 -4.758 1.00 0.00 O ATOM 217 CB GLN A 18 -2.992 -12.076 -7.706 1.00 0.00 C ATOM 218 CG GLN A 18 -3.911 -11.204 -8.547 1.00 0.00 C ATOM 219 CD GLN A 18 -5.218 -10.889 -7.847 1.00 0.00 C ATOM 220 OE1 GLN A 18 -5.952 -11.791 -7.441 1.00 0.00 O ATOM 221 NE2 GLN A 18 -5.517 -9.604 -7.701 1.00 0.00 N ATOM 0 H GLN A 18 -1.129 -10.449 -7.729 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.319 -10.862 -5.964 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.136 -12.376 -8.310 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.522 -12.987 -7.429 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.400 -10.273 -8.790 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.121 -11.708 -9.490 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.880 -8.889 -8.052 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.384 -9.332 -7.237 1.00 0.00 H new ATOM 230 N GLN A 19 -0.632 -12.569 -5.417 1.00 0.00 N ATOM 231 CA GLN A 19 0.006 -13.530 -4.526 1.00 0.00 C ATOM 232 C GLN A 19 0.242 -12.920 -3.148 1.00 0.00 C ATOM 233 O GLN A 19 0.138 -13.604 -2.130 1.00 0.00 O ATOM 234 CB GLN A 19 1.333 -14.007 -5.120 1.00 0.00 C ATOM 235 CG GLN A 19 1.167 -15.006 -6.253 1.00 0.00 C ATOM 236 CD GLN A 19 2.342 -15.958 -6.367 1.00 0.00 C ATOM 237 OE1 GLN A 19 3.184 -16.033 -5.472 1.00 0.00 O ATOM 238 NE2 GLN A 19 2.404 -16.692 -7.472 1.00 0.00 N ATOM 0 H GLN A 19 0.017 -12.030 -5.990 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.662 -14.384 -4.416 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.889 -13.144 -5.486 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.933 -14.461 -4.331 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.253 -15.579 -6.096 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.048 -14.467 -7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.684 -16.597 -8.188 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.172 -17.350 -7.604 1.00 0.00 H new ATOM 247 N MET A 20 0.561 -11.630 -3.123 1.00 0.00 N ATOM 248 CA MET A 20 0.811 -10.929 -1.870 1.00 0.00 C ATOM 249 C MET A 20 -0.495 -10.643 -1.136 1.00 0.00 C ATOM 250 O MET A 20 -0.547 -10.671 0.093 1.00 0.00 O ATOM 251 CB MET A 20 1.558 -9.620 -2.133 1.00 0.00 C ATOM 252 CG MET A 20 2.879 -9.810 -2.862 1.00 0.00 C ATOM 253 SD MET A 20 3.343 -8.371 -3.844 1.00 0.00 S ATOM 254 CE MET A 20 3.720 -7.188 -2.554 1.00 0.00 C ATOM 0 H MET A 20 0.652 -11.049 -3.957 1.00 0.00 H new ATOM 0 HA MET A 20 1.428 -11.571 -1.241 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.920 -8.959 -2.720 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.746 -9.121 -1.182 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.664 -10.018 -2.135 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.808 -10.682 -3.513 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.238 -6.332 -2.986 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.794 -6.853 -2.085 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.357 -7.658 -1.804 1.00 0.00 H new ATOM 264 N ALA A 21 -1.549 -10.369 -1.898 1.00 0.00 N ATOM 265 CA ALA A 21 -2.856 -10.080 -1.321 1.00 0.00 C ATOM 266 C ALA A 21 -3.463 -11.326 -0.686 1.00 0.00 C ATOM 267 O ALA A 21 -4.109 -11.249 0.359 1.00 0.00 O ATOM 268 CB ALA A 21 -3.789 -9.518 -2.382 1.00 0.00 C ATOM 0 H ALA A 21 -1.523 -10.341 -2.917 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.723 -9.333 -0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.761 -9.307 -1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.368 -8.598 -2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.908 -10.246 -3.185 1.00 0.00 H new ATOM 274 N GLN A 22 -3.251 -12.473 -1.324 1.00 0.00 N ATOM 275 CA GLN A 22 -3.780 -13.735 -0.821 1.00 0.00 C ATOM 276 C GLN A 22 -5.304 -13.746 -0.870 1.00 0.00 C ATOM 277 O GLN A 22 -5.963 -14.159 0.082 1.00 0.00 O ATOM 278 CB GLN A 22 -3.303 -13.977 0.612 1.00 0.00 C ATOM 279 CG GLN A 22 -1.791 -13.931 0.766 1.00 0.00 C ATOM 280 CD GLN A 22 -1.133 -15.264 0.472 1.00 0.00 C ATOM 281 OE1 GLN A 22 -0.835 -16.037 1.383 1.00 0.00 O ATOM 282 NE2 GLN A 22 -0.902 -15.542 -0.806 1.00 0.00 N ATOM 0 H GLN A 22 -2.717 -12.554 -2.189 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.409 -14.535 -1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.749 -13.228 1.266 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.665 -14.949 0.947 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.384 -13.174 0.096 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.542 -13.624 1.782 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.165 -14.873 -1.529 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.461 -16.425 -1.064 1.00 0.00 H new ATOM 291 N GLY A 23 -5.858 -13.287 -1.989 1.00 0.00 N ATOM 292 CA GLY A 23 -7.301 -13.252 -2.141 1.00 0.00 C ATOM 293 C GLY A 23 -7.913 -11.987 -1.573 1.00 0.00 C ATOM 294 O GLY A 23 -8.984 -11.559 -2.005 1.00 0.00 O ATOM 0 H GLY A 23 -5.334 -12.939 -2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.554 -13.331 -3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.737 -14.118 -1.643 1.00 0.00 H new ATOM 298 N ARG A 24 -7.234 -11.388 -0.600 1.00 0.00 N ATOM 299 CA ARG A 24 -7.720 -10.166 0.030 1.00 0.00 C ATOM 300 C ARG A 24 -8.139 -9.142 -1.021 1.00 0.00 C ATOM 301 O ARG A 24 -7.488 -8.999 -2.055 1.00 0.00 O ATOM 302 CB ARG A 24 -6.640 -9.571 0.936 1.00 0.00 C ATOM 303 CG ARG A 24 -6.338 -10.418 2.161 1.00 0.00 C ATOM 304 CD ARG A 24 -5.287 -9.764 3.045 1.00 0.00 C ATOM 305 NE ARG A 24 -3.933 -10.171 2.676 1.00 0.00 N ATOM 306 CZ ARG A 24 -2.851 -9.446 2.938 1.00 0.00 C ATOM 307 NH1 ARG A 24 -2.964 -8.284 3.567 1.00 0.00 N ATOM 308 NH2 ARG A 24 -1.654 -9.883 2.571 1.00 0.00 N ATOM 0 H ARG A 24 -6.346 -11.729 -0.231 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.592 -10.419 0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.724 -9.442 0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.955 -8.579 1.259 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.253 -10.571 2.734 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.990 -11.402 1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.373 -8.680 2.970 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.474 -10.027 4.086 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.812 -11.060 2.191 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.883 -7.945 3.851 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.132 -7.729 3.767 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.564 -10.776 2.087 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.824 -9.326 2.773 1.00 0.00 H new ATOM 322 N GLN A 25 -9.230 -8.434 -0.747 1.00 0.00 N ATOM 323 CA GLN A 25 -9.736 -7.424 -1.669 1.00 0.00 C ATOM 324 C GLN A 25 -8.716 -6.308 -1.867 1.00 0.00 C ATOM 325 O GLN A 25 -8.342 -5.620 -0.917 1.00 0.00 O ATOM 326 CB GLN A 25 -11.052 -6.843 -1.150 1.00 0.00 C ATOM 327 CG GLN A 25 -11.475 -5.567 -1.859 1.00 0.00 C ATOM 328 CD GLN A 25 -12.690 -4.921 -1.223 1.00 0.00 C ATOM 329 OE1 GLN A 25 -13.592 -5.607 -0.741 1.00 0.00 O ATOM 330 NE2 GLN A 25 -12.721 -3.593 -1.218 1.00 0.00 N ATOM 0 H GLN A 25 -9.780 -8.541 0.105 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.914 -7.903 -2.632 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.838 -7.589 -1.263 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.955 -6.641 -0.083 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.646 -4.859 -1.851 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.692 -5.791 -2.903 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.952 -3.063 -1.628 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.514 -3.103 -0.804 1.00 0.00 H new ATOM 339 N ILE A 26 -8.271 -6.133 -3.107 1.00 0.00 N ATOM 340 CA ILE A 26 -7.295 -5.100 -3.429 1.00 0.00 C ATOM 341 C ILE A 26 -7.983 -3.819 -3.891 1.00 0.00 C ATOM 342 O ILE A 26 -8.951 -3.863 -4.648 1.00 0.00 O ATOM 343 CB ILE A 26 -6.319 -5.569 -4.524 1.00 0.00 C ATOM 344 CG1 ILE A 26 -5.717 -6.926 -4.154 1.00 0.00 C ATOM 345 CG2 ILE A 26 -5.222 -4.536 -4.733 1.00 0.00 C ATOM 346 CD1 ILE A 26 -5.006 -7.605 -5.303 1.00 0.00 C ATOM 0 H ILE A 26 -8.571 -6.693 -3.905 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.734 -4.900 -2.516 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.870 -5.680 -5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.014 -6.791 -3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.510 -7.580 -3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.540 -4.882 -5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.667 -3.589 -5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.671 -4.397 -3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.604 -8.561 -4.968 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.710 -7.772 -6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.191 -6.971 -5.652 1.00 0.00 H new ATOM 358 N GLU A 27 -7.473 -2.681 -3.431 1.00 0.00 N ATOM 359 CA GLU A 27 -8.038 -1.388 -3.798 1.00 0.00 C ATOM 360 C GLU A 27 -6.944 -0.423 -4.246 1.00 0.00 C ATOM 361 O GLU A 27 -5.850 -0.404 -3.682 1.00 0.00 O ATOM 362 CB GLU A 27 -8.810 -0.790 -2.620 1.00 0.00 C ATOM 363 CG GLU A 27 -10.247 -1.274 -2.525 1.00 0.00 C ATOM 364 CD GLU A 27 -11.146 -0.640 -3.568 1.00 0.00 C ATOM 365 OE1 GLU A 27 -11.150 0.604 -3.673 1.00 0.00 O ATOM 366 OE2 GLU A 27 -11.846 -1.390 -4.281 1.00 0.00 O ATOM 0 H GLU A 27 -6.670 -2.628 -2.804 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.724 -1.544 -4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.291 -1.036 -1.694 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.807 0.296 -2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.270 -2.358 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.636 -1.052 -1.532 1.00 0.00 H new ATOM 373 N TYR A 28 -7.247 0.374 -5.264 1.00 0.00 N ATOM 374 CA TYR A 28 -6.289 1.340 -5.790 1.00 0.00 C ATOM 375 C TYR A 28 -6.532 2.725 -5.200 1.00 0.00 C ATOM 376 O TYR A 28 -7.442 3.440 -5.621 1.00 0.00 O ATOM 377 CB TYR A 28 -6.379 1.399 -7.316 1.00 0.00 C ATOM 378 CG TYR A 28 -6.199 0.056 -7.986 1.00 0.00 C ATOM 379 CD1 TYR A 28 -7.172 -0.931 -7.882 1.00 0.00 C ATOM 380 CD2 TYR A 28 -5.057 -0.226 -8.725 1.00 0.00 C ATOM 381 CE1 TYR A 28 -7.011 -2.159 -8.492 1.00 0.00 C ATOM 382 CE2 TYR A 28 -4.888 -1.452 -9.339 1.00 0.00 C ATOM 383 CZ TYR A 28 -5.868 -2.415 -9.220 1.00 0.00 C ATOM 384 OH TYR A 28 -5.704 -3.638 -9.830 1.00 0.00 O ATOM 0 H TYR A 28 -8.148 0.371 -5.742 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.289 1.015 -5.504 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.348 1.809 -7.599 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.620 2.087 -7.690 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.069 -0.734 -7.314 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.288 0.526 -8.821 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.776 -2.915 -8.400 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.993 -1.655 -9.909 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.846 -3.655 -10.303 1.00 0.00 H new ATOM 394 N ILE A 29 -5.712 3.098 -4.224 1.00 0.00 N ATOM 395 CA ILE A 29 -5.836 4.398 -3.577 1.00 0.00 C ATOM 396 C ILE A 29 -5.009 5.454 -4.303 1.00 0.00 C ATOM 397 O ILE A 29 -3.792 5.529 -4.133 1.00 0.00 O ATOM 398 CB ILE A 29 -5.392 4.339 -2.103 1.00 0.00 C ATOM 399 CG1 ILE A 29 -6.043 3.146 -1.400 1.00 0.00 C ATOM 400 CG2 ILE A 29 -5.744 5.636 -1.391 1.00 0.00 C ATOM 401 CD1 ILE A 29 -7.439 3.431 -0.893 1.00 0.00 C ATOM 0 H ILE A 29 -4.954 2.518 -3.864 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.890 4.672 -3.619 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.310 4.211 -2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.081 2.304 -2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.416 2.842 -0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.424 5.578 -0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.239 6.469 -1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.822 5.792 -1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.838 2.541 -0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.405 4.252 -0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.081 3.706 -1.730 1.00 0.00 H new ATOM 413 N ASP A 30 -5.679 6.270 -5.110 1.00 0.00 N ATOM 414 CA ASP A 30 -5.007 7.325 -5.860 1.00 0.00 C ATOM 415 C ASP A 30 -4.923 8.607 -5.038 1.00 0.00 C ATOM 416 O ASP A 30 -5.945 9.192 -4.676 1.00 0.00 O ATOM 417 CB ASP A 30 -5.742 7.593 -7.174 1.00 0.00 C ATOM 418 CG ASP A 30 -6.953 8.485 -6.987 1.00 0.00 C ATOM 419 OD1 ASP A 30 -6.786 9.723 -7.000 1.00 0.00 O ATOM 420 OD2 ASP A 30 -8.069 7.946 -6.828 1.00 0.00 O ATOM 0 H ASP A 30 -6.687 6.221 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.994 6.991 -6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.057 8.059 -7.882 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.056 6.645 -7.611 1.00 0.00 H new ATOM 425 N ILE A 31 -3.701 9.038 -4.745 1.00 0.00 N ATOM 426 CA ILE A 31 -3.485 10.251 -3.966 1.00 0.00 C ATOM 427 C ILE A 31 -2.882 11.356 -4.826 1.00 0.00 C ATOM 428 O ILE A 31 -1.981 11.111 -5.628 1.00 0.00 O ATOM 429 CB ILE A 31 -2.560 9.989 -2.763 1.00 0.00 C ATOM 430 CG1 ILE A 31 -3.215 9.003 -1.793 1.00 0.00 C ATOM 431 CG2 ILE A 31 -2.229 11.295 -2.056 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.220 8.205 -0.979 1.00 0.00 C ATOM 0 H ILE A 31 -2.845 8.565 -5.035 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.461 10.570 -3.601 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.631 9.549 -3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.869 9.552 -1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.845 8.315 -2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.575 11.094 -1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.726 11.968 -2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.149 11.760 -1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.755 7.527 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.582 7.628 -1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.606 8.884 -0.388 1.00 0.00 H new ATOM 444 N GLU A 32 -3.384 12.575 -4.651 1.00 0.00 N ATOM 445 CA GLU A 32 -2.893 13.719 -5.411 1.00 0.00 C ATOM 446 C GLU A 32 -1.780 14.438 -4.654 1.00 0.00 C ATOM 447 O GLU A 32 -2.035 15.147 -3.681 1.00 0.00 O ATOM 448 CB GLU A 32 -4.036 14.692 -5.705 1.00 0.00 C ATOM 449 CG GLU A 32 -3.566 16.077 -6.116 1.00 0.00 C ATOM 450 CD GLU A 32 -4.551 16.782 -7.027 1.00 0.00 C ATOM 451 OE1 GLU A 32 -5.766 16.733 -6.740 1.00 0.00 O ATOM 452 OE2 GLU A 32 -4.108 17.383 -8.028 1.00 0.00 O ATOM 0 H GLU A 32 -4.129 12.795 -3.991 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.488 13.350 -6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.659 14.279 -6.498 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.665 14.779 -4.819 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.406 16.682 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.604 15.995 -6.622 1.00 0.00 H new ATOM 459 N ARG A 33 -0.545 14.248 -5.108 1.00 0.00 N ATOM 460 CA ARG A 33 0.607 14.877 -4.473 1.00 0.00 C ATOM 461 C ARG A 33 0.531 16.396 -4.591 1.00 0.00 C ATOM 462 O ARG A 33 0.631 16.965 -5.679 1.00 0.00 O ATOM 463 CB ARG A 33 1.904 14.369 -5.105 1.00 0.00 C ATOM 464 CG ARG A 33 2.472 13.136 -4.423 1.00 0.00 C ATOM 465 CD ARG A 33 3.392 13.510 -3.271 1.00 0.00 C ATOM 466 NE ARG A 33 4.438 14.442 -3.687 1.00 0.00 N ATOM 467 CZ ARG A 33 5.059 15.269 -2.853 1.00 0.00 C ATOM 468 NH1 ARG A 33 4.742 15.279 -1.566 1.00 0.00 N ATOM 469 NH2 ARG A 33 6.000 16.087 -3.307 1.00 0.00 N ATOM 0 H ARG A 33 -0.317 13.664 -5.913 1.00 0.00 H new ATOM 0 HA ARG A 33 0.598 14.612 -3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.721 14.141 -6.155 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.648 15.165 -5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.656 12.516 -4.052 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.022 12.538 -5.150 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.805 13.958 -2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.850 12.608 -2.865 1.00 0.00 H new ATOM 0 HE ARG A 33 4.706 14.458 -4.671 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.020 14.651 -1.214 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.220 15.915 -0.928 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.247 16.081 -4.297 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.476 16.722 -2.666 1.00 0.00 H new ATOM 536 N LEU A 39 2.014 13.825 1.342 1.00 0.00 N ATOM 537 CA LEU A 39 1.057 12.724 1.358 1.00 0.00 C ATOM 538 C LEU A 39 0.095 12.857 2.535 1.00 0.00 C ATOM 539 O LEU A 39 -1.071 12.476 2.442 1.00 0.00 O ATOM 540 CB LEU A 39 1.792 11.384 1.434 1.00 0.00 C ATOM 541 CG LEU A 39 3.185 11.346 0.806 1.00 0.00 C ATOM 542 CD1 LEU A 39 3.717 9.922 0.773 1.00 0.00 C ATOM 543 CD2 LEU A 39 3.154 11.939 -0.596 1.00 0.00 C ATOM 0 HA LEU A 39 0.480 12.763 0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.880 11.100 2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.176 10.627 0.949 1.00 0.00 H new ATOM 0 HG LEU A 39 3.856 11.948 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.710 9.915 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.777 9.532 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.047 9.297 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.154 11.904 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.469 11.364 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.817 12.974 -0.546 1.00 0.00 H new ATOM 555 N GLY A 40 0.592 13.402 3.641 1.00 0.00 N ATOM 556 CA GLY A 40 -0.237 13.578 4.819 1.00 0.00 C ATOM 557 C GLY A 40 -0.419 12.290 5.597 1.00 0.00 C ATOM 558 O GLY A 40 -1.265 12.208 6.488 1.00 0.00 O ATOM 0 H GLY A 40 1.554 13.725 3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.213 14.330 5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.213 13.959 4.519 1.00 0.00 H new ATOM 562 N PHE A 41 0.376 11.279 5.260 1.00 0.00 N ATOM 563 CA PHE A 41 0.296 9.987 5.931 1.00 0.00 C ATOM 564 C PHE A 41 1.685 9.379 6.107 1.00 0.00 C ATOM 565 O PHE A 41 2.622 9.726 5.387 1.00 0.00 O ATOM 566 CB PHE A 41 -0.595 9.030 5.138 1.00 0.00 C ATOM 567 CG PHE A 41 0.051 8.505 3.889 1.00 0.00 C ATOM 568 CD1 PHE A 41 1.062 7.560 3.960 1.00 0.00 C ATOM 569 CD2 PHE A 41 -0.352 8.955 2.642 1.00 0.00 C ATOM 570 CE1 PHE A 41 1.660 7.076 2.812 1.00 0.00 C ATOM 571 CE2 PHE A 41 0.241 8.474 1.490 1.00 0.00 C ATOM 572 CZ PHE A 41 1.248 7.533 1.575 1.00 0.00 C ATOM 0 H PHE A 41 1.083 11.330 4.526 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.141 10.145 6.917 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.870 8.190 5.776 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.519 9.543 4.871 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.387 7.197 4.924 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.139 9.691 2.569 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.449 6.341 2.882 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.083 8.834 0.524 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.713 7.155 0.676 1.00 0.00 H new ATOM 582 N SER A 42 1.809 8.470 7.068 1.00 0.00 N ATOM 583 CA SER A 42 3.084 7.817 7.342 1.00 0.00 C ATOM 584 C SER A 42 3.010 6.327 7.021 1.00 0.00 C ATOM 585 O SER A 42 1.947 5.803 6.688 1.00 0.00 O ATOM 586 CB SER A 42 3.479 8.015 8.807 1.00 0.00 C ATOM 587 OG SER A 42 4.225 9.208 8.976 1.00 0.00 O ATOM 0 H SER A 42 1.043 8.169 7.670 1.00 0.00 H new ATOM 0 HA SER A 42 3.842 8.272 6.704 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.583 8.051 9.427 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.068 7.163 9.147 1.00 0.00 H new ATOM 0 HG SER A 42 4.464 9.313 9.921 1.00 0.00 H new ATOM 593 N VAL A 43 4.149 5.649 7.124 1.00 0.00 N ATOM 594 CA VAL A 43 4.215 4.219 6.846 1.00 0.00 C ATOM 595 C VAL A 43 5.123 3.507 7.842 1.00 0.00 C ATOM 596 O VAL A 43 6.065 4.097 8.372 1.00 0.00 O ATOM 597 CB VAL A 43 4.724 3.948 5.418 1.00 0.00 C ATOM 598 CG1 VAL A 43 3.679 4.356 4.391 1.00 0.00 C ATOM 599 CG2 VAL A 43 6.037 4.677 5.174 1.00 0.00 C ATOM 0 H VAL A 43 5.038 6.067 7.398 1.00 0.00 H new ATOM 0 HA VAL A 43 3.201 3.831 6.942 1.00 0.00 H new ATOM 0 HB VAL A 43 4.903 2.878 5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.057 4.157 3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.766 3.784 4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.464 5.420 4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.383 4.475 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.886 5.749 5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.784 4.330 5.888 1.00 0.00 H new ATOM 609 N VAL A 44 4.835 2.234 8.092 1.00 0.00 N ATOM 610 CA VAL A 44 5.627 1.439 9.024 1.00 0.00 C ATOM 611 C VAL A 44 6.229 0.221 8.333 1.00 0.00 C ATOM 612 O VAL A 44 5.583 -0.416 7.502 1.00 0.00 O ATOM 613 CB VAL A 44 4.781 0.971 10.223 1.00 0.00 C ATOM 614 CG1 VAL A 44 4.596 2.104 11.221 1.00 0.00 C ATOM 615 CG2 VAL A 44 3.436 0.441 9.750 1.00 0.00 C ATOM 0 H VAL A 44 4.059 1.731 7.662 1.00 0.00 H new ATOM 0 HA VAL A 44 6.430 2.081 9.385 1.00 0.00 H new ATOM 0 HB VAL A 44 5.310 0.160 10.725 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.996 1.755 12.061 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.570 2.433 11.583 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.089 2.938 10.735 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.851 0.115 10.610 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.899 1.230 9.224 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.593 -0.402 9.077 1.00 0.00 H new ATOM 625 N ALA A 45 7.470 -0.099 8.684 1.00 0.00 N ATOM 626 CA ALA A 45 8.159 -1.243 8.100 1.00 0.00 C ATOM 627 C ALA A 45 8.148 -2.434 9.052 1.00 0.00 C ATOM 628 O ALA A 45 8.630 -2.344 10.182 1.00 0.00 O ATOM 629 CB ALA A 45 9.588 -0.869 7.735 1.00 0.00 C ATOM 0 H ALA A 45 8.019 0.418 9.370 1.00 0.00 H new ATOM 0 HA ALA A 45 7.628 -1.531 7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.090 -1.733 7.300 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.577 -0.053 7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.121 -0.552 8.631 1.00 0.00 H new ATOM 635 N LEU A 46 7.595 -3.550 8.589 1.00 0.00 N ATOM 636 CA LEU A 46 7.521 -4.761 9.400 1.00 0.00 C ATOM 637 C LEU A 46 7.817 -5.998 8.559 1.00 0.00 C ATOM 638 O LEU A 46 7.018 -6.388 7.707 1.00 0.00 O ATOM 639 CB LEU A 46 6.138 -4.885 10.041 1.00 0.00 C ATOM 640 CG LEU A 46 5.733 -3.754 10.988 1.00 0.00 C ATOM 641 CD1 LEU A 46 4.256 -3.853 11.336 1.00 0.00 C ATOM 642 CD2 LEU A 46 6.583 -3.785 12.250 1.00 0.00 C ATOM 0 H LEU A 46 7.191 -3.642 7.657 1.00 0.00 H new ATOM 0 HA LEU A 46 8.274 -4.690 10.185 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.395 -4.949 9.246 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.098 -5.825 10.592 1.00 0.00 H new ATOM 0 HG LEU A 46 5.904 -2.804 10.482 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.986 -3.040 12.010 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.662 -3.781 10.425 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.060 -4.809 11.822 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.281 -2.973 12.912 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.444 -4.739 12.759 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.633 -3.665 11.984 1.00 0.00 H new ATOM 654 N ARG A 47 8.969 -6.613 8.806 1.00 0.00 N ATOM 655 CA ARG A 47 9.371 -7.807 8.072 1.00 0.00 C ATOM 656 C ARG A 47 8.263 -8.857 8.095 1.00 0.00 C ATOM 657 O ARG A 47 7.750 -9.209 9.156 1.00 0.00 O ATOM 658 CB ARG A 47 10.653 -8.391 8.668 1.00 0.00 C ATOM 659 CG ARG A 47 11.539 -9.084 7.646 1.00 0.00 C ATOM 660 CD ARG A 47 10.990 -10.451 7.268 1.00 0.00 C ATOM 661 NE ARG A 47 11.022 -11.383 8.392 1.00 0.00 N ATOM 662 CZ ARG A 47 10.911 -12.700 8.258 1.00 0.00 C ATOM 663 NH1 ARG A 47 10.761 -13.237 7.055 1.00 0.00 N ATOM 664 NH2 ARG A 47 10.949 -13.483 9.328 1.00 0.00 N ATOM 0 H ARG A 47 9.641 -6.304 9.509 1.00 0.00 H new ATOM 0 HA ARG A 47 9.557 -7.521 7.037 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.220 -7.591 9.144 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.389 -9.103 9.450 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.620 -8.464 6.753 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.545 -9.194 8.050 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.965 -10.345 6.914 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.572 -10.859 6.442 1.00 0.00 H new ATOM 0 HE ARG A 47 11.136 -11.002 9.331 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.731 -12.639 6.230 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.676 -14.249 6.955 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.064 -13.074 10.255 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.864 -14.494 9.223 1.00 0.00 H new ATOM 678 N SER A 48 7.899 -9.351 6.916 1.00 0.00 N ATOM 679 CA SER A 48 6.850 -10.357 6.799 1.00 0.00 C ATOM 680 C SER A 48 7.384 -11.742 7.150 1.00 0.00 C ATOM 681 O SER A 48 8.543 -11.893 7.535 1.00 0.00 O ATOM 682 CB SER A 48 6.275 -10.363 5.381 1.00 0.00 C ATOM 683 OG SER A 48 5.037 -11.050 5.336 1.00 0.00 O ATOM 0 H SER A 48 8.315 -9.071 6.028 1.00 0.00 H new ATOM 0 HA SER A 48 6.058 -10.103 7.503 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.138 -9.338 5.036 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.982 -10.837 4.700 1.00 0.00 H new ATOM 0 HG SER A 48 4.302 -10.402 5.349 1.00 0.00 H new ATOM 689 N GLN A 49 6.530 -12.751 7.013 1.00 0.00 N ATOM 690 CA GLN A 49 6.915 -14.124 7.316 1.00 0.00 C ATOM 691 C GLN A 49 7.116 -14.928 6.035 1.00 0.00 C ATOM 692 O GLN A 49 7.934 -15.846 5.989 1.00 0.00 O ATOM 693 CB GLN A 49 5.853 -14.793 8.190 1.00 0.00 C ATOM 694 CG GLN A 49 6.146 -16.254 8.493 1.00 0.00 C ATOM 695 CD GLN A 49 6.977 -16.434 9.748 1.00 0.00 C ATOM 696 OE1 GLN A 49 8.059 -17.021 9.710 1.00 0.00 O ATOM 697 NE2 GLN A 49 6.475 -15.929 10.868 1.00 0.00 N ATOM 0 H GLN A 49 5.567 -12.643 6.694 1.00 0.00 H new ATOM 0 HA GLN A 49 7.859 -14.098 7.860 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.770 -14.246 9.129 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.886 -14.721 7.692 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.206 -16.794 8.604 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.671 -16.698 7.647 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.574 -15.450 10.853 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.990 -16.020 11.744 1.00 0.00 H new ATOM 706 N ASN A 50 6.363 -14.577 4.998 1.00 0.00 N ATOM 707 CA ASN A 50 6.458 -15.267 3.716 1.00 0.00 C ATOM 708 C ASN A 50 7.915 -15.519 3.341 1.00 0.00 C ATOM 709 O ASN A 50 8.328 -16.663 3.144 1.00 0.00 O ATOM 710 CB ASN A 50 5.772 -14.449 2.621 1.00 0.00 C ATOM 711 CG ASN A 50 4.301 -14.790 2.479 1.00 0.00 C ATOM 712 OD1 ASN A 50 3.928 -15.962 2.415 1.00 0.00 O ATOM 713 ND2 ASN A 50 3.458 -13.765 2.430 1.00 0.00 N ATOM 0 H ASN A 50 5.680 -13.819 5.020 1.00 0.00 H new ATOM 0 HA ASN A 50 5.954 -16.229 3.811 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.876 -13.387 2.846 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.276 -14.625 1.671 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.456 -13.933 2.336 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.812 -12.810 2.487 1.00 0.00 H new ATOM 720 N LEU A 51 8.690 -14.444 3.244 1.00 0.00 N ATOM 721 CA LEU A 51 10.102 -14.548 2.893 1.00 0.00 C ATOM 722 C LEU A 51 10.795 -13.195 3.018 1.00 0.00 C ATOM 723 O LEU A 51 10.151 -12.149 2.960 1.00 0.00 O ATOM 724 CB LEU A 51 10.256 -15.083 1.468 1.00 0.00 C ATOM 725 CG LEU A 51 11.657 -14.989 0.863 1.00 0.00 C ATOM 726 CD1 LEU A 51 11.881 -16.109 -0.141 1.00 0.00 C ATOM 727 CD2 LEU A 51 11.865 -13.632 0.207 1.00 0.00 C ATOM 0 H LEU A 51 8.364 -13.491 3.403 1.00 0.00 H new ATOM 0 HA LEU A 51 10.573 -15.243 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.947 -16.128 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.566 -14.541 0.821 1.00 0.00 H new ATOM 0 HG LEU A 51 12.387 -15.097 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.883 -16.026 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.776 -17.072 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.145 -16.033 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.868 -13.583 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.128 -13.494 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.749 -12.846 0.953 1.00 0.00 H new ATOM 739 N GLY A 52 12.113 -13.225 3.188 1.00 0.00 N ATOM 740 CA GLY A 52 12.873 -11.995 3.316 1.00 0.00 C ATOM 741 C GLY A 52 12.209 -10.828 2.613 1.00 0.00 C ATOM 742 O GLY A 52 12.457 -10.582 1.432 1.00 0.00 O ATOM 0 H GLY A 52 12.668 -14.079 3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.997 -11.756 4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.871 -12.144 2.904 1.00 0.00 H new ATOM 746 N LYS A 53 11.361 -10.106 3.338 1.00 0.00 N ATOM 747 CA LYS A 53 10.658 -8.958 2.777 1.00 0.00 C ATOM 748 C LYS A 53 10.113 -8.061 3.883 1.00 0.00 C ATOM 749 O LYS A 53 10.188 -8.398 5.064 1.00 0.00 O ATOM 750 CB LYS A 53 9.514 -9.426 1.875 1.00 0.00 C ATOM 751 CG LYS A 53 8.270 -9.848 2.639 1.00 0.00 C ATOM 752 CD LYS A 53 7.047 -9.879 1.738 1.00 0.00 C ATOM 753 CE LYS A 53 6.938 -11.199 0.991 1.00 0.00 C ATOM 754 NZ LYS A 53 5.534 -11.499 0.594 1.00 0.00 N ATOM 0 H LYS A 53 11.144 -10.296 4.316 1.00 0.00 H new ATOM 0 HA LYS A 53 11.368 -8.383 2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.252 -8.622 1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.860 -10.264 1.269 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.427 -10.834 3.075 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.097 -9.158 3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.149 -9.723 2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.100 -9.058 1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.567 -11.166 0.102 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.317 -12.004 1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.498 -12.423 0.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.931 -11.523 1.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.191 -10.761 -0.054 1.00 0.00 H new ATOM 768 N VAL A 54 9.562 -6.916 3.492 1.00 0.00 N ATOM 769 CA VAL A 54 9.002 -5.970 4.451 1.00 0.00 C ATOM 770 C VAL A 54 7.602 -5.531 4.035 1.00 0.00 C ATOM 771 O VAL A 54 7.368 -5.180 2.879 1.00 0.00 O ATOM 772 CB VAL A 54 9.896 -4.725 4.599 1.00 0.00 C ATOM 773 CG1 VAL A 54 9.436 -3.874 5.773 1.00 0.00 C ATOM 774 CG2 VAL A 54 11.352 -5.132 4.762 1.00 0.00 C ATOM 0 H VAL A 54 9.491 -6.621 2.518 1.00 0.00 H new ATOM 0 HA VAL A 54 8.949 -6.485 5.410 1.00 0.00 H new ATOM 0 HB VAL A 54 9.810 -4.126 3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.079 -2.999 5.862 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.407 -3.553 5.609 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.491 -4.460 6.691 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.970 -4.240 4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.459 -5.752 5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.672 -5.696 3.886 1.00 0.00 H new ATOM 784 N ASP A 55 6.675 -5.553 4.986 1.00 0.00 N ATOM 785 CA ASP A 55 5.297 -5.156 4.720 1.00 0.00 C ATOM 786 C ASP A 55 5.054 -3.714 5.155 1.00 0.00 C ATOM 787 O ASP A 55 5.091 -3.399 6.345 1.00 0.00 O ATOM 788 CB ASP A 55 4.326 -6.090 5.443 1.00 0.00 C ATOM 789 CG ASP A 55 4.173 -7.424 4.740 1.00 0.00 C ATOM 790 OD1 ASP A 55 4.422 -7.482 3.517 1.00 0.00 O ATOM 791 OD2 ASP A 55 3.806 -8.410 5.411 1.00 0.00 O ATOM 0 H ASP A 55 6.852 -5.842 5.948 1.00 0.00 H new ATOM 0 HA ASP A 55 5.125 -5.227 3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.678 -6.258 6.461 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.351 -5.608 5.518 1.00 0.00 H new ATOM 796 N ILE A 56 4.807 -2.842 4.183 1.00 0.00 N ATOM 797 CA ILE A 56 4.558 -1.434 4.465 1.00 0.00 C ATOM 798 C ILE A 56 3.084 -1.187 4.771 1.00 0.00 C ATOM 799 O ILE A 56 2.208 -1.534 3.979 1.00 0.00 O ATOM 800 CB ILE A 56 4.982 -0.540 3.286 1.00 0.00 C ATOM 801 CG1 ILE A 56 6.411 -0.875 2.851 1.00 0.00 C ATOM 802 CG2 ILE A 56 4.870 0.929 3.667 1.00 0.00 C ATOM 803 CD1 ILE A 56 7.461 -0.467 3.861 1.00 0.00 C ATOM 0 H ILE A 56 4.774 -3.086 3.193 1.00 0.00 H new ATOM 0 HA ILE A 56 5.157 -1.177 5.339 1.00 0.00 H new ATOM 0 HB ILE A 56 4.312 -0.730 2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.486 -1.948 2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.619 -0.380 1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.173 1.548 2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.838 1.158 3.933 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.518 1.134 4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.449 -0.735 3.487 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.413 0.610 4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.278 -0.982 4.804 1.00 0.00 H new ATOM 815 N PHE A 57 2.819 -0.584 5.925 1.00 0.00 N ATOM 816 CA PHE A 57 1.451 -0.289 6.337 1.00 0.00 C ATOM 817 C PHE A 57 1.261 1.209 6.558 1.00 0.00 C ATOM 818 O PHE A 57 2.138 1.885 7.095 1.00 0.00 O ATOM 819 CB PHE A 57 1.105 -1.053 7.616 1.00 0.00 C ATOM 820 CG PHE A 57 1.326 -2.535 7.508 1.00 0.00 C ATOM 821 CD1 PHE A 57 2.580 -3.079 7.734 1.00 0.00 C ATOM 822 CD2 PHE A 57 0.281 -3.383 7.180 1.00 0.00 C ATOM 823 CE1 PHE A 57 2.787 -4.442 7.636 1.00 0.00 C ATOM 824 CE2 PHE A 57 0.482 -4.746 7.081 1.00 0.00 C ATOM 825 CZ PHE A 57 1.737 -5.277 7.308 1.00 0.00 C ATOM 0 H PHE A 57 3.533 -0.290 6.592 1.00 0.00 H new ATOM 0 HA PHE A 57 0.781 -0.609 5.539 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.707 -0.663 8.437 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.061 -0.867 7.870 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.405 -2.431 7.990 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.702 -2.974 7.000 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.769 -4.854 7.816 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.342 -5.396 6.826 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.897 -6.342 7.229 1.00 0.00 H new ATOM 835 N VAL A 58 0.108 1.721 6.139 1.00 0.00 N ATOM 836 CA VAL A 58 -0.199 3.138 6.291 1.00 0.00 C ATOM 837 C VAL A 58 -0.597 3.463 7.727 1.00 0.00 C ATOM 838 O VAL A 58 -1.631 3.008 8.215 1.00 0.00 O ATOM 839 CB VAL A 58 -1.335 3.571 5.345 1.00 0.00 C ATOM 840 CG1 VAL A 58 -1.592 5.065 5.468 1.00 0.00 C ATOM 841 CG2 VAL A 58 -1.004 3.195 3.909 1.00 0.00 C ATOM 0 H VAL A 58 -0.629 1.175 5.692 1.00 0.00 H new ATOM 0 HA VAL A 58 0.707 3.687 6.034 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.245 3.045 5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.398 5.352 4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.876 5.302 6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.687 5.613 5.207 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.817 3.508 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.082 3.692 3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.875 2.115 3.836 1.00 0.00 H new ATOM 851 N LYS A 59 0.232 4.254 8.400 1.00 0.00 N ATOM 852 CA LYS A 59 -0.032 4.644 9.780 1.00 0.00 C ATOM 853 C LYS A 59 -0.080 6.162 9.917 1.00 0.00 C ATOM 854 O LYS A 59 0.496 6.887 9.106 1.00 0.00 O ATOM 855 CB LYS A 59 1.041 4.070 10.707 1.00 0.00 C ATOM 856 CG LYS A 59 1.222 2.568 10.573 1.00 0.00 C ATOM 857 CD LYS A 59 0.325 1.810 11.538 1.00 0.00 C ATOM 858 CE LYS A 59 0.801 1.958 12.975 1.00 0.00 C ATOM 859 NZ LYS A 59 -0.328 1.890 13.944 1.00 0.00 N ATOM 0 H LYS A 59 1.093 4.638 8.011 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.004 4.241 10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.991 4.562 10.497 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.781 4.305 11.739 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.998 2.263 9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.263 2.308 10.762 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.697 2.179 11.452 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.307 0.754 11.267 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.522 1.172 13.201 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.321 2.909 13.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.038 1.995 14.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.003 2.655 13.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.808 0.972 13.853 1.00 0.00 H new ATOM 873 N ASP A 60 -0.768 6.636 10.950 1.00 0.00 N ATOM 874 CA ASP A 60 -0.888 8.069 11.195 1.00 0.00 C ATOM 875 C ASP A 60 -1.559 8.768 10.017 1.00 0.00 C ATOM 876 O ASP A 60 -1.041 9.750 9.487 1.00 0.00 O ATOM 877 CB ASP A 60 0.490 8.682 11.449 1.00 0.00 C ATOM 878 CG ASP A 60 0.876 8.652 12.915 1.00 0.00 C ATOM 879 OD1 ASP A 60 0.010 8.957 13.762 1.00 0.00 O ATOM 880 OD2 ASP A 60 2.043 8.325 13.216 1.00 0.00 O ATOM 0 H ASP A 60 -1.251 6.050 11.631 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.509 8.210 12.080 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.237 8.141 10.868 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.496 9.713 11.096 1.00 0.00 H new ATOM 885 N VAL A 61 -2.716 8.253 9.612 1.00 0.00 N ATOM 886 CA VAL A 61 -3.459 8.827 8.496 1.00 0.00 C ATOM 887 C VAL A 61 -4.133 10.133 8.900 1.00 0.00 C ATOM 888 O VAL A 61 -5.317 10.154 9.236 1.00 0.00 O ATOM 889 CB VAL A 61 -4.529 7.850 7.972 1.00 0.00 C ATOM 890 CG1 VAL A 61 -5.444 8.545 6.976 1.00 0.00 C ATOM 891 CG2 VAL A 61 -3.873 6.629 7.345 1.00 0.00 C ATOM 0 H VAL A 61 -3.159 7.440 10.040 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.738 9.023 7.703 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.136 7.516 8.814 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.193 7.840 6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.940 9.385 7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.855 8.909 6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.643 5.949 6.980 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.242 6.942 6.513 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.264 6.120 8.092 1.00 0.00 H new ATOM 901 N GLN A 62 -3.372 11.222 8.863 1.00 0.00 N ATOM 902 CA GLN A 62 -3.896 12.533 9.225 1.00 0.00 C ATOM 903 C GLN A 62 -5.307 12.725 8.678 1.00 0.00 C ATOM 904 O GLN A 62 -5.510 12.977 7.490 1.00 0.00 O ATOM 905 CB GLN A 62 -2.978 13.637 8.698 1.00 0.00 C ATOM 906 CG GLN A 62 -1.725 13.837 9.535 1.00 0.00 C ATOM 907 CD GLN A 62 -1.198 15.257 9.467 1.00 0.00 C ATOM 908 OE1 GLN A 62 -0.924 15.778 8.385 1.00 0.00 O ATOM 909 NE2 GLN A 62 -1.053 15.891 10.624 1.00 0.00 N ATOM 0 H GLN A 62 -2.390 11.222 8.586 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.936 12.592 10.313 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.687 13.399 7.675 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.534 14.574 8.662 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.942 13.583 10.573 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.951 13.150 9.194 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.292 15.421 11.497 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.702 16.849 10.640 1.00 0.00 H new ATOM 918 N PRO A 63 -6.307 12.604 9.564 1.00 0.00 N ATOM 919 CA PRO A 63 -7.717 12.760 9.192 1.00 0.00 C ATOM 920 C PRO A 63 -8.068 14.203 8.846 1.00 0.00 C ATOM 921 O PRO A 63 -8.561 14.952 9.688 1.00 0.00 O ATOM 922 CB PRO A 63 -8.466 12.315 10.450 1.00 0.00 C ATOM 923 CG PRO A 63 -7.508 12.552 11.566 1.00 0.00 C ATOM 924 CD PRO A 63 -6.139 12.305 10.996 1.00 0.00 C ATOM 0 HA PRO A 63 -7.971 12.184 8.302 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.383 12.887 10.588 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -8.752 11.265 10.390 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.595 13.570 11.945 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.709 11.882 12.402 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.390 12.950 11.456 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.816 11.276 11.157 1.00 0.00 H new ATOM 932 N GLY A 64 -7.811 14.587 7.599 1.00 0.00 N ATOM 933 CA GLY A 64 -8.107 15.939 7.163 1.00 0.00 C ATOM 934 C GLY A 64 -7.249 16.371 5.990 1.00 0.00 C ATOM 935 O GLY A 64 -7.608 17.291 5.256 1.00 0.00 O ATOM 0 H GLY A 64 -7.403 13.986 6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.159 16.005 6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.954 16.627 7.994 1.00 0.00 H new ATOM 939 N SER A 65 -6.111 15.707 5.815 1.00 0.00 N ATOM 940 CA SER A 65 -5.196 16.032 4.727 1.00 0.00 C ATOM 941 C SER A 65 -5.678 15.424 3.413 1.00 0.00 C ATOM 942 O SER A 65 -6.686 14.718 3.375 1.00 0.00 O ATOM 943 CB SER A 65 -3.788 15.528 5.050 1.00 0.00 C ATOM 944 OG SER A 65 -3.672 14.139 4.793 1.00 0.00 O ATOM 0 H SER A 65 -5.801 14.941 6.413 1.00 0.00 H new ATOM 0 HA SER A 65 -5.170 17.116 4.617 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.057 16.074 4.453 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.558 15.728 6.097 1.00 0.00 H new ATOM 0 HG SER A 65 -3.138 13.719 5.499 1.00 0.00 H new ATOM 950 N VAL A 66 -4.949 15.703 2.337 1.00 0.00 N ATOM 951 CA VAL A 66 -5.299 15.184 1.021 1.00 0.00 C ATOM 952 C VAL A 66 -5.640 13.700 1.088 1.00 0.00 C ATOM 953 O VAL A 66 -6.636 13.255 0.518 1.00 0.00 O ATOM 954 CB VAL A 66 -4.153 15.391 0.013 1.00 0.00 C ATOM 955 CG1 VAL A 66 -2.869 14.760 0.527 1.00 0.00 C ATOM 956 CG2 VAL A 66 -4.530 14.821 -1.346 1.00 0.00 C ATOM 0 H VAL A 66 -4.112 16.286 2.351 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.174 15.740 0.684 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.982 16.461 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.071 14.917 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.592 15.220 1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.022 13.691 0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.709 14.976 -2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.729 13.754 -1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.423 15.325 -1.717 1.00 0.00 H new ATOM 1065 N LEU A 73 -7.872 6.827 1.701 1.00 0.00 N ATOM 1066 CA LEU A 73 -6.862 5.916 2.227 1.00 0.00 C ATOM 1067 C LEU A 73 -7.143 5.575 3.687 1.00 0.00 C ATOM 1068 O LEU A 73 -7.230 6.461 4.537 1.00 0.00 O ATOM 1069 CB LEU A 73 -5.470 6.537 2.095 1.00 0.00 C ATOM 1070 CG LEU A 73 -4.314 5.556 1.895 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -3.138 6.247 1.222 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -3.890 4.952 3.226 1.00 0.00 C ATOM 0 HA LEU A 73 -6.900 4.995 1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.482 7.230 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.270 7.125 2.990 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.655 4.750 1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.325 5.534 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.449 6.630 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.796 7.073 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.066 4.257 3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.567 5.746 3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.732 4.420 3.669 1.00 0.00 H new ATOM 1084 N LYS A 74 -7.282 4.285 3.971 1.00 0.00 N ATOM 1085 CA LYS A 74 -7.550 3.825 5.329 1.00 0.00 C ATOM 1086 C LYS A 74 -6.256 3.436 6.037 1.00 0.00 C ATOM 1087 O LYS A 74 -5.233 3.199 5.394 1.00 0.00 O ATOM 1088 CB LYS A 74 -8.508 2.632 5.305 1.00 0.00 C ATOM 1089 CG LYS A 74 -9.924 2.997 4.893 1.00 0.00 C ATOM 1090 CD LYS A 74 -10.726 3.533 6.067 1.00 0.00 C ATOM 1091 CE LYS A 74 -11.407 2.411 6.836 1.00 0.00 C ATOM 1092 NZ LYS A 74 -12.121 2.918 8.040 1.00 0.00 N ATOM 0 H LYS A 74 -7.214 3.539 3.279 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.013 4.645 5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.121 1.880 4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.533 2.177 6.295 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.892 3.745 4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.422 2.119 4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.067 4.087 6.736 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.477 4.236 5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.114 1.900 6.183 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.663 1.674 7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.572 2.123 8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.442 3.383 8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.849 3.602 7.750 1.00 0.00 H new ATOM 1106 N GLU A 75 -6.308 3.372 7.364 1.00 0.00 N ATOM 1107 CA GLU A 75 -5.139 3.012 8.157 1.00 0.00 C ATOM 1108 C GLU A 75 -4.918 1.502 8.145 1.00 0.00 C ATOM 1109 O GLU A 75 -5.832 0.732 7.854 1.00 0.00 O ATOM 1110 CB GLU A 75 -5.302 3.502 9.598 1.00 0.00 C ATOM 1111 CG GLU A 75 -4.034 3.387 10.427 1.00 0.00 C ATOM 1112 CD GLU A 75 -4.173 4.023 11.796 1.00 0.00 C ATOM 1113 OE1 GLU A 75 -5.248 3.871 12.414 1.00 0.00 O ATOM 1114 OE2 GLU A 75 -3.208 4.673 12.250 1.00 0.00 O ATOM 0 H GLU A 75 -7.147 3.565 7.912 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.268 3.494 7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.624 4.543 9.585 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.094 2.929 10.080 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.775 2.335 10.544 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.211 3.860 9.892 1.00 0.00 H new ATOM 1121 N ASN A 76 -3.696 1.087 8.462 1.00 0.00 N ATOM 1122 CA ASN A 76 -3.352 -0.331 8.486 1.00 0.00 C ATOM 1123 C ASN A 76 -3.580 -0.969 7.119 1.00 0.00 C ATOM 1124 O ASN A 76 -4.010 -2.118 7.023 1.00 0.00 O ATOM 1125 CB ASN A 76 -4.181 -1.059 9.546 1.00 0.00 C ATOM 1126 CG ASN A 76 -3.787 -0.669 10.957 1.00 0.00 C ATOM 1127 OD1 ASN A 76 -2.726 -0.085 11.178 1.00 0.00 O ATOM 1128 ND2 ASN A 76 -4.642 -0.990 11.921 1.00 0.00 N ATOM 0 H ASN A 76 -2.927 1.712 8.706 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.295 -0.420 8.736 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.237 -0.838 9.392 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.060 -2.135 9.422 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.431 -0.752 12.890 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.510 -1.474 11.692 1.00 0.00 H new ATOM 1135 N ASP A 77 -3.288 -0.215 6.065 1.00 0.00 N ATOM 1136 CA ASP A 77 -3.459 -0.707 4.703 1.00 0.00 C ATOM 1137 C ASP A 77 -2.124 -1.154 4.114 1.00 0.00 C ATOM 1138 O ASP A 77 -1.310 -0.328 3.703 1.00 0.00 O ATOM 1139 CB ASP A 77 -4.083 0.376 3.821 1.00 0.00 C ATOM 1140 CG ASP A 77 -5.597 0.384 3.897 1.00 0.00 C ATOM 1141 OD1 ASP A 77 -6.182 -0.678 4.194 1.00 0.00 O ATOM 1142 OD2 ASP A 77 -6.196 1.454 3.661 1.00 0.00 O ATOM 0 H ASP A 77 -2.932 0.739 6.128 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.127 -1.568 4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.702 1.351 4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.775 0.220 2.787 1.00 0.00 H new ATOM 1147 N GLN A 78 -1.907 -2.464 4.080 1.00 0.00 N ATOM 1148 CA GLN A 78 -0.670 -3.020 3.544 1.00 0.00 C ATOM 1149 C GLN A 78 -0.505 -2.660 2.071 1.00 0.00 C ATOM 1150 O GLN A 78 -1.258 -3.133 1.219 1.00 0.00 O ATOM 1151 CB GLN A 78 -0.652 -4.540 3.715 1.00 0.00 C ATOM 1152 CG GLN A 78 0.747 -5.132 3.746 1.00 0.00 C ATOM 1153 CD GLN A 78 0.791 -6.553 3.221 1.00 0.00 C ATOM 1154 OE1 GLN A 78 -0.026 -7.393 3.600 1.00 0.00 O ATOM 1155 NE2 GLN A 78 1.748 -6.831 2.343 1.00 0.00 N ATOM 0 H GLN A 78 -2.571 -3.161 4.417 1.00 0.00 H new ATOM 0 HA GLN A 78 0.163 -2.590 4.100 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.168 -4.799 4.640 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.212 -4.996 2.899 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.415 -4.508 3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.122 -5.115 4.769 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.404 -6.104 2.057 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.827 -7.771 1.955 1.00 0.00 H new ATOM 1164 N ILE A 79 0.483 -1.820 1.779 1.00 0.00 N ATOM 1165 CA ILE A 79 0.746 -1.398 0.409 1.00 0.00 C ATOM 1166 C ILE A 79 1.457 -2.494 -0.377 1.00 0.00 C ATOM 1167 O ILE A 79 2.597 -2.850 -0.075 1.00 0.00 O ATOM 1168 CB ILE A 79 1.600 -0.117 0.370 1.00 0.00 C ATOM 1169 CG1 ILE A 79 0.892 1.017 1.113 1.00 0.00 C ATOM 1170 CG2 ILE A 79 1.887 0.284 -1.070 1.00 0.00 C ATOM 1171 CD1 ILE A 79 1.515 2.376 0.876 1.00 0.00 C ATOM 0 H ILE A 79 1.114 -1.419 2.473 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.221 -1.195 -0.050 1.00 0.00 H new ATOM 0 HB ILE A 79 2.549 -0.315 0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.153 1.046 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.903 0.803 2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.491 1.191 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.428 -0.519 -1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.947 0.468 -1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.962 3.132 1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.552 2.364 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.480 2.612 -0.188 1.00 0.00 H new ATOM 1183 N LEU A 80 0.777 -3.026 -1.387 1.00 0.00 N ATOM 1184 CA LEU A 80 1.344 -4.081 -2.219 1.00 0.00 C ATOM 1185 C LEU A 80 2.248 -3.496 -3.300 1.00 0.00 C ATOM 1186 O LEU A 80 3.347 -3.995 -3.540 1.00 0.00 O ATOM 1187 CB LEU A 80 0.228 -4.905 -2.863 1.00 0.00 C ATOM 1188 CG LEU A 80 -0.766 -5.557 -1.900 1.00 0.00 C ATOM 1189 CD1 LEU A 80 -1.753 -6.428 -2.661 1.00 0.00 C ATOM 1190 CD2 LEU A 80 -0.031 -6.375 -0.848 1.00 0.00 C ATOM 0 H LEU A 80 -0.167 -2.744 -1.649 1.00 0.00 H new ATOM 0 HA LEU A 80 1.944 -4.729 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.327 -4.259 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.685 -5.688 -3.468 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.323 -4.768 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.452 -6.884 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.303 -5.816 -3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.212 -7.210 -3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.754 -6.831 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.552 -7.156 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.635 -5.725 -0.282 1.00 0.00 H new ATOM 1202 N ALA A 81 1.777 -2.435 -3.947 1.00 0.00 N ATOM 1203 CA ALA A 81 2.544 -1.780 -4.999 1.00 0.00 C ATOM 1204 C ALA A 81 2.387 -0.265 -4.930 1.00 0.00 C ATOM 1205 O ALA A 81 1.364 0.242 -4.468 1.00 0.00 O ATOM 1206 CB ALA A 81 2.116 -2.296 -6.364 1.00 0.00 C ATOM 0 H ALA A 81 0.868 -2.011 -3.761 1.00 0.00 H new ATOM 0 HA ALA A 81 3.597 -2.017 -4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.697 -1.798 -7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.287 -3.371 -6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.057 -2.089 -6.515 1.00 0.00 H new ATOM 1212 N ILE A 82 3.405 0.453 -5.392 1.00 0.00 N ATOM 1213 CA ILE A 82 3.378 1.910 -5.383 1.00 0.00 C ATOM 1214 C ILE A 82 3.796 2.476 -6.736 1.00 0.00 C ATOM 1215 O ILE A 82 4.962 2.394 -7.121 1.00 0.00 O ATOM 1216 CB ILE A 82 4.301 2.484 -4.292 1.00 0.00 C ATOM 1217 CG1 ILE A 82 3.860 1.994 -2.911 1.00 0.00 C ATOM 1218 CG2 ILE A 82 4.303 4.004 -4.345 1.00 0.00 C ATOM 1219 CD1 ILE A 82 4.897 2.214 -1.832 1.00 0.00 C ATOM 0 H ILE A 82 4.259 0.049 -5.777 1.00 0.00 H new ATOM 0 HA ILE A 82 2.350 2.205 -5.170 1.00 0.00 H new ATOM 0 HB ILE A 82 5.317 2.133 -4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.940 2.506 -2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.628 0.931 -2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.960 4.394 -3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.660 4.334 -5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.291 4.375 -4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.516 1.843 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.811 1.679 -2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.112 3.279 -1.746 1.00 0.00 H new ATOM 1231 N ASN A 83 2.837 3.052 -7.453 1.00 0.00 N ATOM 1232 CA ASN A 83 3.106 3.634 -8.763 1.00 0.00 C ATOM 1233 C ASN A 83 3.533 2.559 -9.758 1.00 0.00 C ATOM 1234 O ASN A 83 4.515 2.723 -10.482 1.00 0.00 O ATOM 1235 CB ASN A 83 4.192 4.706 -8.655 1.00 0.00 C ATOM 1236 CG ASN A 83 3.936 5.675 -7.518 1.00 0.00 C ATOM 1237 OD1 ASN A 83 4.810 5.916 -6.684 1.00 0.00 O ATOM 1238 ND2 ASN A 83 2.734 6.238 -7.479 1.00 0.00 N ATOM 0 H ASN A 83 1.866 3.128 -7.149 1.00 0.00 H new ATOM 0 HA ASN A 83 2.186 4.094 -9.125 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.160 4.226 -8.509 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.249 5.258 -9.593 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.504 6.899 -6.737 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.040 6.009 -8.191 1.00 0.00 H new ATOM 1245 N HIS A 84 2.788 1.458 -9.788 1.00 0.00 N ATOM 1246 CA HIS A 84 3.088 0.356 -10.695 1.00 0.00 C ATOM 1247 C HIS A 84 4.406 -0.314 -10.318 1.00 0.00 C ATOM 1248 O HIS A 84 5.262 -0.551 -11.171 1.00 0.00 O ATOM 1249 CB HIS A 84 3.153 0.858 -12.138 1.00 0.00 C ATOM 1250 CG HIS A 84 2.999 -0.228 -13.158 1.00 0.00 C ATOM 1251 ND1 HIS A 84 4.032 -0.655 -13.965 1.00 0.00 N ATOM 1252 CD2 HIS A 84 1.924 -0.977 -13.497 1.00 0.00 C ATOM 1253 CE1 HIS A 84 3.598 -1.618 -14.759 1.00 0.00 C ATOM 1254 NE2 HIS A 84 2.322 -1.832 -14.495 1.00 0.00 N ATOM 0 H HIS A 84 1.972 1.306 -9.195 1.00 0.00 H new ATOM 0 HA HIS A 84 2.288 -0.380 -10.610 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.371 1.602 -12.291 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.107 1.361 -12.296 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.937 -0.914 -13.063 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.187 -2.141 -15.498 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.728 -2.521 -14.957 1.00 0.00 H new ATOM 1263 N THR A 85 4.564 -0.616 -9.033 1.00 0.00 N ATOM 1264 CA THR A 85 5.778 -1.256 -8.542 1.00 0.00 C ATOM 1265 C THR A 85 5.533 -1.948 -7.206 1.00 0.00 C ATOM 1266 O THR A 85 5.417 -1.308 -6.160 1.00 0.00 O ATOM 1267 CB THR A 85 6.923 -0.239 -8.378 1.00 0.00 C ATOM 1268 OG1 THR A 85 7.266 0.321 -9.650 1.00 0.00 O ATOM 1269 CG2 THR A 85 8.148 -0.898 -7.761 1.00 0.00 C ATOM 0 H THR A 85 3.866 -0.428 -8.313 1.00 0.00 H new ATOM 0 HA THR A 85 6.066 -1.999 -9.286 1.00 0.00 H new ATOM 0 HB THR A 85 6.583 0.554 -7.712 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.828 -0.191 -10.362 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.943 -0.160 -7.655 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.891 -1.298 -6.780 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.488 -1.709 -8.405 1.00 0.00 H new ATOM 1277 N PRO A 86 5.452 -3.287 -7.237 1.00 0.00 N ATOM 1278 CA PRO A 86 5.222 -4.094 -6.036 1.00 0.00 C ATOM 1279 C PRO A 86 6.422 -4.091 -5.096 1.00 0.00 C ATOM 1280 O PRO A 86 7.571 -4.096 -5.539 1.00 0.00 O ATOM 1281 CB PRO A 86 4.984 -5.500 -6.594 1.00 0.00 C ATOM 1282 CG PRO A 86 5.692 -5.512 -7.904 1.00 0.00 C ATOM 1283 CD PRO A 86 5.581 -4.115 -8.448 1.00 0.00 C ATOM 0 HA PRO A 86 4.394 -3.710 -5.440 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.378 -6.264 -5.924 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.920 -5.702 -6.717 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.736 -5.801 -7.781 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.240 -6.233 -8.585 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.460 -3.840 -9.031 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.717 -4.006 -9.103 1.00 0.00 H new ATOM 1291 N LEU A 87 6.149 -4.083 -3.796 1.00 0.00 N ATOM 1292 CA LEU A 87 7.207 -4.080 -2.792 1.00 0.00 C ATOM 1293 C LEU A 87 7.550 -5.501 -2.357 1.00 0.00 C ATOM 1294 O LEU A 87 7.896 -5.740 -1.200 1.00 0.00 O ATOM 1295 CB LEU A 87 6.783 -3.251 -1.578 1.00 0.00 C ATOM 1296 CG LEU A 87 5.996 -1.975 -1.878 1.00 0.00 C ATOM 1297 CD1 LEU A 87 5.550 -1.307 -0.587 1.00 0.00 C ATOM 1298 CD2 LEU A 87 6.833 -1.017 -2.714 1.00 0.00 C ATOM 0 H LEU A 87 5.204 -4.078 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 87 8.095 -3.632 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.179 -3.882 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.678 -2.979 -1.019 1.00 0.00 H new ATOM 0 HG LEU A 87 5.108 -2.245 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.991 -0.401 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.914 -1.990 -0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.425 -1.050 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.257 -0.114 -2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.739 -0.754 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.103 -1.496 -3.655 1.00 0.00 H new ATOM 1310 N ASP A 88 7.454 -6.439 -3.292 1.00 0.00 N ATOM 1311 CA ASP A 88 7.757 -7.837 -3.007 1.00 0.00 C ATOM 1312 C ASP A 88 9.188 -7.990 -2.499 1.00 0.00 C ATOM 1313 O ASP A 88 9.954 -7.027 -2.476 1.00 0.00 O ATOM 1314 CB ASP A 88 7.554 -8.691 -4.260 1.00 0.00 C ATOM 1315 CG ASP A 88 7.485 -10.172 -3.945 1.00 0.00 C ATOM 1316 OD1 ASP A 88 6.800 -10.541 -2.968 1.00 0.00 O ATOM 1317 OD2 ASP A 88 8.116 -10.964 -4.677 1.00 0.00 O ATOM 0 H ASP A 88 7.169 -6.257 -4.254 1.00 0.00 H new ATOM 0 HA ASP A 88 7.075 -8.180 -2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.635 -8.385 -4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.372 -8.508 -4.957 1.00 0.00 H new ATOM 1322 N GLN A 89 9.538 -9.205 -2.090 1.00 0.00 N ATOM 1323 CA GLN A 89 10.876 -9.483 -1.580 1.00 0.00 C ATOM 1324 C GLN A 89 11.927 -8.687 -2.347 1.00 0.00 C ATOM 1325 O GLN A 89 12.938 -8.271 -1.783 1.00 0.00 O ATOM 1326 CB GLN A 89 11.181 -10.978 -1.677 1.00 0.00 C ATOM 1327 CG GLN A 89 11.460 -11.452 -3.094 1.00 0.00 C ATOM 1328 CD GLN A 89 11.386 -12.960 -3.231 1.00 0.00 C ATOM 1329 OE1 GLN A 89 12.404 -13.630 -3.406 1.00 0.00 O ATOM 1330 NE2 GLN A 89 10.177 -13.503 -3.150 1.00 0.00 N ATOM 0 H GLN A 89 8.915 -10.012 -2.102 1.00 0.00 H new ATOM 0 HA GLN A 89 10.909 -9.180 -0.534 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.043 -11.206 -1.050 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.338 -11.539 -1.275 1.00 0.00 H new ATOM 0 HG2 GLN A 89 10.742 -10.994 -3.774 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.450 -11.112 -3.399 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.360 -12.910 -3.004 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.065 -14.513 -3.233 1.00 0.00 H new ATOM 1339 N ASN A 90 11.680 -8.479 -3.636 1.00 0.00 N ATOM 1340 CA ASN A 90 12.606 -7.733 -4.481 1.00 0.00 C ATOM 1341 C ASN A 90 12.922 -6.371 -3.872 1.00 0.00 C ATOM 1342 O ASN A 90 14.082 -6.049 -3.613 1.00 0.00 O ATOM 1343 CB ASN A 90 12.020 -7.554 -5.883 1.00 0.00 C ATOM 1344 CG ASN A 90 11.587 -8.870 -6.501 1.00 0.00 C ATOM 1345 OD1 ASN A 90 10.411 -9.231 -6.459 1.00 0.00 O ATOM 1346 ND2 ASN A 90 12.539 -9.593 -7.079 1.00 0.00 N ATOM 0 H ASN A 90 10.847 -8.816 -4.118 1.00 0.00 H new ATOM 0 HA ASN A 90 13.532 -8.303 -4.552 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.165 -6.880 -5.833 1.00 0.00 H new ATOM 0 HB3 ASN A 90 12.762 -7.080 -6.526 1.00 0.00 H new ATOM 0 HD21 ASN A 90 12.308 -10.487 -7.512 1.00 0.00 H new ATOM 0 HD22 ASN A 90 13.501 -9.254 -7.090 1.00 0.00 H new ATOM 1353 N ILE A 91 11.882 -5.575 -3.645 1.00 0.00 N ATOM 1354 CA ILE A 91 12.048 -4.248 -3.065 1.00 0.00 C ATOM 1355 C ILE A 91 11.916 -4.292 -1.546 1.00 0.00 C ATOM 1356 O ILE A 91 11.014 -4.935 -1.009 1.00 0.00 O ATOM 1357 CB ILE A 91 11.017 -3.254 -3.630 1.00 0.00 C ATOM 1358 CG1 ILE A 91 11.558 -2.590 -4.898 1.00 0.00 C ATOM 1359 CG2 ILE A 91 10.666 -2.205 -2.585 1.00 0.00 C ATOM 1360 CD1 ILE A 91 10.625 -1.553 -5.482 1.00 0.00 C ATOM 0 H ILE A 91 10.916 -5.826 -3.854 1.00 0.00 H new ATOM 0 HA ILE A 91 13.050 -3.910 -3.331 1.00 0.00 H new ATOM 0 HB ILE A 91 10.110 -3.801 -3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.515 -2.120 -4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.749 -3.358 -5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.936 -1.509 -2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.244 -2.693 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.566 -1.660 -2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.073 -1.124 -6.378 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.675 -2.022 -5.740 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.453 -0.764 -4.749 1.00 0.00 H new ATOM 1372 N SER A 92 12.822 -3.603 -0.859 1.00 0.00 N ATOM 1373 CA SER A 92 12.808 -3.565 0.599 1.00 0.00 C ATOM 1374 C SER A 92 11.862 -2.481 1.105 1.00 0.00 C ATOM 1375 O SER A 92 11.158 -1.840 0.323 1.00 0.00 O ATOM 1376 CB SER A 92 14.219 -3.318 1.137 1.00 0.00 C ATOM 1377 OG SER A 92 14.923 -4.537 1.300 1.00 0.00 O ATOM 0 H SER A 92 13.574 -3.064 -1.288 1.00 0.00 H new ATOM 0 HA SER A 92 12.453 -4.530 0.960 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.764 -2.668 0.452 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.161 -2.797 2.093 1.00 0.00 H new ATOM 0 HG SER A 92 15.822 -4.352 1.643 1.00 0.00 H new ATOM 1383 N HIS A 93 11.850 -2.280 2.419 1.00 0.00 N ATOM 1384 CA HIS A 93 10.991 -1.273 3.031 1.00 0.00 C ATOM 1385 C HIS A 93 11.450 0.133 2.657 1.00 0.00 C ATOM 1386 O HIS A 93 10.630 1.019 2.414 1.00 0.00 O ATOM 1387 CB HIS A 93 10.985 -1.433 4.552 1.00 0.00 C ATOM 1388 CG HIS A 93 12.052 -0.639 5.241 1.00 0.00 C ATOM 1389 ND1 HIS A 93 13.219 -1.200 5.717 1.00 0.00 N ATOM 1390 CD2 HIS A 93 12.125 0.681 5.532 1.00 0.00 C ATOM 1391 CE1 HIS A 93 13.962 -0.260 6.272 1.00 0.00 C ATOM 1392 NE2 HIS A 93 13.321 0.891 6.173 1.00 0.00 N ATOM 0 H HIS A 93 12.426 -2.801 3.080 1.00 0.00 H new ATOM 0 HA HIS A 93 9.978 -1.418 2.654 1.00 0.00 H new ATOM 0 HB2 HIS A 93 10.012 -1.130 4.937 1.00 0.00 H new ATOM 0 HB3 HIS A 93 11.111 -2.487 4.799 1.00 0.00 H new ATOM 0 HD2 HIS A 93 11.381 1.430 5.303 1.00 0.00 H new ATOM 0 HE1 HIS A 93 14.929 -0.407 6.729 1.00 0.00 H new ATOM 0 HE2 HIS A 93 13.660 1.790 6.517 1.00 0.00 H new ATOM 1401 N GLN A 94 12.763 0.329 2.614 1.00 0.00 N ATOM 1402 CA GLN A 94 13.330 1.628 2.271 1.00 0.00 C ATOM 1403 C GLN A 94 12.869 2.075 0.887 1.00 0.00 C ATOM 1404 O GLN A 94 12.242 3.124 0.741 1.00 0.00 O ATOM 1405 CB GLN A 94 14.858 1.570 2.318 1.00 0.00 C ATOM 1406 CG GLN A 94 15.435 1.843 3.698 1.00 0.00 C ATOM 1407 CD GLN A 94 15.685 3.318 3.944 1.00 0.00 C ATOM 1408 OE1 GLN A 94 15.106 3.914 4.853 1.00 0.00 O ATOM 1409 NE2 GLN A 94 16.551 3.916 3.134 1.00 0.00 N ATOM 0 H GLN A 94 13.454 -0.394 2.812 1.00 0.00 H new ATOM 0 HA GLN A 94 12.978 2.354 3.004 1.00 0.00 H new ATOM 0 HB2 GLN A 94 15.186 0.586 1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.263 2.297 1.614 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.750 1.463 4.456 1.00 0.00 H new ATOM 0 HG3 GLN A 94 16.371 1.296 3.811 1.00 0.00 H new ATOM 0 HE21 GLN A 94 17.008 3.384 2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 94 16.759 4.908 3.252 1.00 0.00 H new ATOM 1418 N GLN A 95 13.185 1.273 -0.124 1.00 0.00 N ATOM 1419 CA GLN A 95 12.803 1.587 -1.496 1.00 0.00 C ATOM 1420 C GLN A 95 11.353 2.054 -1.564 1.00 0.00 C ATOM 1421 O GLN A 95 11.040 3.045 -2.223 1.00 0.00 O ATOM 1422 CB GLN A 95 13.002 0.366 -2.395 1.00 0.00 C ATOM 1423 CG GLN A 95 14.384 0.291 -3.023 1.00 0.00 C ATOM 1424 CD GLN A 95 14.632 -1.025 -3.734 1.00 0.00 C ATOM 1425 OE1 GLN A 95 14.599 -1.096 -4.963 1.00 0.00 O ATOM 1426 NE2 GLN A 95 14.881 -2.077 -2.963 1.00 0.00 N ATOM 0 H GLN A 95 13.704 0.401 -0.019 1.00 0.00 H new ATOM 0 HA GLN A 95 13.442 2.396 -1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.828 -0.537 -1.810 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.253 0.382 -3.187 1.00 0.00 H new ATOM 0 HG2 GLN A 95 14.501 1.110 -3.732 1.00 0.00 H new ATOM 0 HG3 GLN A 95 15.139 0.429 -2.249 1.00 0.00 H new ATOM 0 HE21 GLN A 95 14.899 -1.973 -1.948 1.00 0.00 H new ATOM 0 HE22 GLN A 95 15.055 -2.989 -3.385 1.00 0.00 H new ATOM 1435 N ALA A 96 10.471 1.332 -0.879 1.00 0.00 N ATOM 1436 CA ALA A 96 9.054 1.673 -0.861 1.00 0.00 C ATOM 1437 C ALA A 96 8.845 3.126 -0.449 1.00 0.00 C ATOM 1438 O ALA A 96 8.095 3.862 -1.092 1.00 0.00 O ATOM 1439 CB ALA A 96 8.300 0.742 0.076 1.00 0.00 C ATOM 0 H ALA A 96 10.713 0.508 -0.330 1.00 0.00 H new ATOM 0 HA ALA A 96 8.662 1.549 -1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.243 1.008 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.414 -0.287 -0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.702 0.837 1.085 1.00 0.00 H new ATOM 1445 N ILE A 97 9.510 3.533 0.627 1.00 0.00 N ATOM 1446 CA ILE A 97 9.396 4.899 1.124 1.00 0.00 C ATOM 1447 C ILE A 97 9.802 5.908 0.055 1.00 0.00 C ATOM 1448 O ILE A 97 9.121 6.912 -0.155 1.00 0.00 O ATOM 1449 CB ILE A 97 10.266 5.116 2.376 1.00 0.00 C ATOM 1450 CG1 ILE A 97 9.961 4.048 3.428 1.00 0.00 C ATOM 1451 CG2 ILE A 97 10.036 6.508 2.945 1.00 0.00 C ATOM 1452 CD1 ILE A 97 10.618 4.311 4.765 1.00 0.00 C ATOM 0 H ILE A 97 10.133 2.937 1.171 1.00 0.00 H new ATOM 0 HA ILE A 97 8.350 5.054 1.387 1.00 0.00 H new ATOM 0 HB ILE A 97 11.315 5.029 2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.882 3.986 3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.290 3.078 3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.658 6.647 3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.299 7.255 2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.987 6.621 3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.358 3.514 5.461 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.700 4.344 4.639 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.270 5.265 5.160 1.00 0.00 H new ATOM 1464 N ALA A 98 10.914 5.634 -0.618 1.00 0.00 N ATOM 1465 CA ALA A 98 11.409 6.516 -1.668 1.00 0.00 C ATOM 1466 C ALA A 98 10.321 6.810 -2.696 1.00 0.00 C ATOM 1467 O ALA A 98 9.926 7.961 -2.885 1.00 0.00 O ATOM 1468 CB ALA A 98 12.625 5.901 -2.345 1.00 0.00 C ATOM 0 H ALA A 98 11.490 4.808 -0.455 1.00 0.00 H new ATOM 0 HA ALA A 98 11.702 7.459 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.984 6.571 -3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.413 5.748 -1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.350 4.943 -2.786 1.00 0.00 H new ATOM 1474 N LEU A 99 9.841 5.763 -3.357 1.00 0.00 N ATOM 1475 CA LEU A 99 8.798 5.909 -4.367 1.00 0.00 C ATOM 1476 C LEU A 99 7.783 6.970 -3.953 1.00 0.00 C ATOM 1477 O LEU A 99 7.242 7.689 -4.795 1.00 0.00 O ATOM 1478 CB LEU A 99 8.090 4.572 -4.595 1.00 0.00 C ATOM 1479 CG LEU A 99 8.993 3.383 -4.926 1.00 0.00 C ATOM 1480 CD1 LEU A 99 8.176 2.104 -5.026 1.00 0.00 C ATOM 1481 CD2 LEU A 99 9.753 3.634 -6.220 1.00 0.00 C ATOM 0 H LEU A 99 10.157 4.804 -3.212 1.00 0.00 H new ATOM 0 HA LEU A 99 9.270 6.227 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.517 4.330 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.374 4.696 -5.408 1.00 0.00 H new ATOM 0 HG LEU A 99 9.717 3.266 -4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.835 1.269 -5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.678 1.915 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.429 2.210 -5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.390 2.777 -6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.045 3.778 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.369 4.527 -6.113 1.00 0.00 H new ATOM 1493 N LEU A 100 7.532 7.064 -2.652 1.00 0.00 N ATOM 1494 CA LEU A 100 6.583 8.040 -2.126 1.00 0.00 C ATOM 1495 C LEU A 100 7.215 9.426 -2.049 1.00 0.00 C ATOM 1496 O LEU A 100 6.733 10.373 -2.670 1.00 0.00 O ATOM 1497 CB LEU A 100 6.097 7.611 -0.740 1.00 0.00 C ATOM 1498 CG LEU A 100 5.581 6.176 -0.624 1.00 0.00 C ATOM 1499 CD1 LEU A 100 5.465 5.766 0.836 1.00 0.00 C ATOM 1500 CD2 LEU A 100 4.239 6.033 -1.328 1.00 0.00 C ATOM 0 H LEU A 100 7.971 6.477 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 100 5.732 8.086 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.917 7.739 -0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.301 8.288 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 100 6.297 5.513 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.096 4.742 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.444 5.829 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.771 6.433 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.887 5.006 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.515 6.707 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.353 6.284 -2.383 1.00 0.00 H new ATOM 1512 N GLN A 101 8.296 9.537 -1.284 1.00 0.00 N ATOM 1513 CA GLN A 101 8.994 10.807 -1.127 1.00 0.00 C ATOM 1514 C GLN A 101 9.456 11.344 -2.478 1.00 0.00 C ATOM 1515 O GLN A 101 9.792 12.521 -2.606 1.00 0.00 O ATOM 1516 CB GLN A 101 10.194 10.643 -0.192 1.00 0.00 C ATOM 1517 CG GLN A 101 9.843 9.998 1.139 1.00 0.00 C ATOM 1518 CD GLN A 101 10.914 10.214 2.191 1.00 0.00 C ATOM 1519 OE1 GLN A 101 11.004 11.285 2.791 1.00 0.00 O ATOM 1520 NE2 GLN A 101 11.732 9.193 2.421 1.00 0.00 N ATOM 0 H GLN A 101 8.707 8.762 -0.763 1.00 0.00 H new ATOM 0 HA GLN A 101 8.298 11.523 -0.690 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.953 10.039 -0.690 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.636 11.622 -0.007 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.898 10.406 1.498 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.693 8.928 0.992 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.621 8.323 1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 101 12.471 9.279 3.119 1.00 0.00 H new ATOM 1529 N GLN A 102 9.472 10.473 -3.481 1.00 0.00 N ATOM 1530 CA GLN A 102 9.895 10.860 -4.822 1.00 0.00 C ATOM 1531 C GLN A 102 8.690 11.164 -5.706 1.00 0.00 C ATOM 1532 O GLN A 102 8.478 12.306 -6.116 1.00 0.00 O ATOM 1533 CB GLN A 102 10.739 9.752 -5.453 1.00 0.00 C ATOM 1534 CG GLN A 102 12.071 9.529 -4.755 1.00 0.00 C ATOM 1535 CD GLN A 102 12.875 8.405 -5.377 1.00 0.00 C ATOM 1536 OE1 GLN A 102 13.201 7.419 -4.715 1.00 0.00 O ATOM 1537 NE2 GLN A 102 13.201 8.548 -6.656 1.00 0.00 N ATOM 0 H GLN A 102 9.197 9.495 -3.391 1.00 0.00 H new ATOM 0 HA GLN A 102 10.499 11.764 -4.739 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.171 8.822 -5.439 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.923 9.998 -6.499 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.654 10.450 -4.790 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.893 9.304 -3.703 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.910 9.382 -7.166 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.743 7.824 -7.128 1.00 0.00 H new ATOM 1546 N THR A 103 7.902 10.134 -5.998 1.00 0.00 N ATOM 1547 CA THR A 103 6.719 10.290 -6.835 1.00 0.00 C ATOM 1548 C THR A 103 6.030 11.624 -6.571 1.00 0.00 C ATOM 1549 O THR A 103 5.563 11.884 -5.461 1.00 0.00 O ATOM 1550 CB THR A 103 5.711 9.149 -6.601 1.00 0.00 C ATOM 1551 OG1 THR A 103 6.174 7.949 -7.230 1.00 0.00 O ATOM 1552 CG2 THR A 103 4.340 9.518 -7.148 1.00 0.00 C ATOM 0 H THR A 103 8.062 9.183 -5.667 1.00 0.00 H new ATOM 0 HA THR A 103 7.058 10.259 -7.870 1.00 0.00 H new ATOM 0 HB THR A 103 5.624 8.985 -5.527 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.838 7.171 -6.738 1.00 0.00 H new ATOM 0 HG21 THR A 103 3.645 8.697 -6.971 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.977 10.415 -6.646 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.414 9.706 -8.219 1.00 0.00 H new ATOM 1560 N THR A 104 5.969 12.467 -7.596 1.00 0.00 N ATOM 1561 CA THR A 104 5.338 13.775 -7.474 1.00 0.00 C ATOM 1562 C THR A 104 4.056 13.845 -8.297 1.00 0.00 C ATOM 1563 O THR A 104 3.785 12.971 -9.119 1.00 0.00 O ATOM 1564 CB THR A 104 6.286 14.901 -7.926 1.00 0.00 C ATOM 1565 OG1 THR A 104 7.571 14.733 -7.316 1.00 0.00 O ATOM 1566 CG2 THR A 104 5.720 16.265 -7.559 1.00 0.00 C ATOM 0 H THR A 104 6.349 12.267 -8.521 1.00 0.00 H new ATOM 0 HA THR A 104 5.099 13.913 -6.420 1.00 0.00 H new ATOM 0 HB THR A 104 6.388 14.847 -9.010 1.00 0.00 H new ATOM 0 HG1 THR A 104 7.607 13.865 -6.863 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.407 17.045 -7.888 1.00 0.00 H new ATOM 0 HG22 THR A 104 4.755 16.402 -8.047 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.592 16.327 -6.478 1.00 0.00 H new ATOM 1574 N GLY A 105 3.269 14.893 -8.070 1.00 0.00 N ATOM 1575 CA GLY A 105 2.025 15.058 -8.799 1.00 0.00 C ATOM 1576 C GLY A 105 0.978 14.040 -8.396 1.00 0.00 C ATOM 1577 O GLY A 105 0.087 14.337 -7.600 1.00 0.00 O ATOM 0 H GLY A 105 3.471 15.630 -7.395 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.637 16.062 -8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.220 14.971 -9.868 1.00 0.00 H new ATOM 1581 N SER A 106 1.083 12.835 -8.947 1.00 0.00 N ATOM 1582 CA SER A 106 0.133 11.770 -8.645 1.00 0.00 C ATOM 1583 C SER A 106 0.835 10.589 -7.982 1.00 0.00 C ATOM 1584 O SER A 106 1.888 10.142 -8.437 1.00 0.00 O ATOM 1585 CB SER A 106 -0.571 11.308 -9.922 1.00 0.00 C ATOM 1586 OG SER A 106 -1.213 12.392 -10.571 1.00 0.00 O ATOM 0 H SER A 106 1.816 12.572 -9.605 1.00 0.00 H new ATOM 0 HA SER A 106 -0.610 12.165 -7.952 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.154 10.854 -10.597 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.305 10.539 -9.679 1.00 0.00 H new ATOM 0 HG SER A 106 -1.654 12.071 -11.385 1.00 0.00 H new ATOM 1592 N LEU A 107 0.244 10.088 -6.903 1.00 0.00 N ATOM 1593 CA LEU A 107 0.811 8.958 -6.175 1.00 0.00 C ATOM 1594 C LEU A 107 -0.236 7.870 -5.956 1.00 0.00 C ATOM 1595 O LEU A 107 -1.173 8.045 -5.177 1.00 0.00 O ATOM 1596 CB LEU A 107 1.370 9.422 -4.829 1.00 0.00 C ATOM 1597 CG LEU A 107 1.853 8.318 -3.887 1.00 0.00 C ATOM 1598 CD1 LEU A 107 3.199 7.777 -4.344 1.00 0.00 C ATOM 1599 CD2 LEU A 107 1.942 8.837 -2.459 1.00 0.00 C ATOM 0 H LEU A 107 -0.628 10.446 -6.513 1.00 0.00 H new ATOM 0 HA LEU A 107 1.621 8.541 -6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 107 2.202 10.101 -5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.599 9.998 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 107 1.130 7.503 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.527 6.993 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.104 7.367 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.933 8.583 -4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.287 8.038 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.644 9.670 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.958 9.175 -2.133 1.00 0.00 H new ATOM 1611 N ARG A 108 -0.069 6.748 -6.647 1.00 0.00 N ATOM 1612 CA ARG A 108 -0.999 5.631 -6.528 1.00 0.00 C ATOM 1613 C ARG A 108 -0.486 4.601 -5.526 1.00 0.00 C ATOM 1614 O ARG A 108 0.721 4.391 -5.399 1.00 0.00 O ATOM 1615 CB ARG A 108 -1.214 4.971 -7.891 1.00 0.00 C ATOM 1616 CG ARG A 108 -2.150 3.774 -7.847 1.00 0.00 C ATOM 1617 CD ARG A 108 -2.271 3.110 -9.210 1.00 0.00 C ATOM 1618 NE ARG A 108 -1.180 2.172 -9.460 1.00 0.00 N ATOM 1619 CZ ARG A 108 -1.163 1.321 -10.480 1.00 0.00 C ATOM 1620 NH1 ARG A 108 -2.172 1.290 -11.340 1.00 0.00 N ATOM 1621 NH2 ARG A 108 -0.135 0.497 -10.641 1.00 0.00 N ATOM 0 H ARG A 108 0.702 6.588 -7.296 1.00 0.00 H new ATOM 0 HA ARG A 108 -1.951 6.020 -6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.616 5.710 -8.584 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.250 4.653 -8.288 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -1.782 3.050 -7.120 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.135 4.094 -7.508 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -3.223 2.584 -9.274 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.277 3.875 -9.987 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.388 2.170 -8.817 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -2.964 1.921 -11.219 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -2.156 0.635 -12.122 1.00 0.00 H new ATOM 0 HH21 ARG A 108 0.643 0.517 -9.981 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -0.123 -0.156 -11.424 1.00 0.00 H new ATOM 1635 N LEU A 109 -1.410 3.961 -4.817 1.00 0.00 N ATOM 1636 CA LEU A 109 -1.051 2.953 -3.827 1.00 0.00 C ATOM 1637 C LEU A 109 -2.065 1.813 -3.818 1.00 0.00 C ATOM 1638 O LEU A 109 -3.240 2.017 -3.514 1.00 0.00 O ATOM 1639 CB LEU A 109 -0.965 3.584 -2.436 1.00 0.00 C ATOM 1640 CG LEU A 109 -0.117 4.851 -2.325 1.00 0.00 C ATOM 1641 CD1 LEU A 109 -0.113 5.368 -0.895 1.00 0.00 C ATOM 1642 CD2 LEU A 109 1.304 4.585 -2.802 1.00 0.00 C ATOM 0 H LEU A 109 -2.413 4.123 -4.910 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.076 2.546 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.976 3.817 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.564 2.841 -1.746 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.557 5.616 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.496 6.270 -0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.133 5.598 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.301 4.607 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.894 5.498 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.753 3.804 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.284 4.263 -3.843 1.00 0.00 H new ATOM 1654 N ILE A 110 -1.601 0.613 -4.153 1.00 0.00 N ATOM 1655 CA ILE A 110 -2.467 -0.559 -4.180 1.00 0.00 C ATOM 1656 C ILE A 110 -2.391 -1.330 -2.867 1.00 0.00 C ATOM 1657 O ILE A 110 -1.454 -2.095 -2.637 1.00 0.00 O ATOM 1658 CB ILE A 110 -2.098 -1.504 -5.339 1.00 0.00 C ATOM 1659 CG1 ILE A 110 -2.225 -0.777 -6.679 1.00 0.00 C ATOM 1660 CG2 ILE A 110 -2.982 -2.742 -5.316 1.00 0.00 C ATOM 1661 CD1 ILE A 110 -1.472 -1.450 -7.806 1.00 0.00 C ATOM 0 H ILE A 110 -0.631 0.428 -4.409 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.484 -0.196 -4.327 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.062 -1.819 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.279 -0.708 -6.947 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.858 0.243 -6.566 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.709 -3.400 -6.141 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.846 -3.269 -4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.026 -2.446 -5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.607 -0.880 -8.725 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.411 -1.495 -7.559 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.855 -2.461 -7.947 1.00 0.00 H new ATOM 1673 N VAL A 111 -3.384 -1.124 -2.008 1.00 0.00 N ATOM 1674 CA VAL A 111 -3.432 -1.802 -0.718 1.00 0.00 C ATOM 1675 C VAL A 111 -4.493 -2.896 -0.711 1.00 0.00 C ATOM 1676 O VAL A 111 -5.418 -2.884 -1.523 1.00 0.00 O ATOM 1677 CB VAL A 111 -3.723 -0.812 0.426 1.00 0.00 C ATOM 1678 CG1 VAL A 111 -2.625 0.236 0.518 1.00 0.00 C ATOM 1679 CG2 VAL A 111 -5.082 -0.156 0.229 1.00 0.00 C ATOM 0 H VAL A 111 -4.166 -0.493 -2.182 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.451 -2.251 -0.560 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.744 -1.365 1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.848 0.926 1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.670 -0.253 0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.569 0.787 -0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.272 0.540 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.092 0.384 -0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.857 -0.922 0.218 1.00 0.00 H new ATOM 1689 N ALA A 112 -4.354 -3.842 0.212 1.00 0.00 N ATOM 1690 CA ALA A 112 -5.302 -4.943 0.327 1.00 0.00 C ATOM 1691 C ALA A 112 -6.141 -4.815 1.594 1.00 0.00 C ATOM 1692 O ALA A 112 -5.747 -4.141 2.546 1.00 0.00 O ATOM 1693 CB ALA A 112 -4.568 -6.276 0.311 1.00 0.00 C ATOM 0 H ALA A 112 -3.593 -3.868 0.891 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.975 -4.901 -0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.289 -7.089 0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.018 -6.377 -0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.871 -6.318 1.148 1.00 0.00 H new ATOM 1699 N ARG A 113 -7.301 -5.464 1.598 1.00 0.00 N ATOM 1700 CA ARG A 113 -8.197 -5.421 2.748 1.00 0.00 C ATOM 1701 C ARG A 113 -8.842 -6.783 2.986 1.00 0.00 C ATOM 1702 O ARG A 113 -9.174 -7.497 2.040 1.00 0.00 O ATOM 1703 CB ARG A 113 -9.280 -4.361 2.537 1.00 0.00 C ATOM 1704 CG ARG A 113 -8.804 -3.152 1.750 1.00 0.00 C ATOM 1705 CD ARG A 113 -9.582 -1.901 2.126 1.00 0.00 C ATOM 1706 NE ARG A 113 -9.586 -0.914 1.049 1.00 0.00 N ATOM 1707 CZ ARG A 113 -9.831 0.378 1.237 1.00 0.00 C ATOM 1708 NH1 ARG A 113 -10.091 0.837 2.453 1.00 0.00 N ATOM 1709 NH2 ARG A 113 -9.816 1.214 0.206 1.00 0.00 N ATOM 0 H ARG A 113 -7.642 -6.026 0.818 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.608 -5.159 3.627 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.123 -4.814 2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.647 -4.030 3.509 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.742 -2.991 1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -8.916 -3.344 0.683 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.608 -2.173 2.372 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.146 -1.458 3.022 1.00 0.00 H new ATOM 0 HE ARG A 113 -9.390 -1.234 0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.103 0.198 3.248 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -10.279 1.830 2.594 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.616 0.864 -0.731 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -10.004 2.206 0.351 1.00 0.00 H new ATOM 1723 N GLU A 114 -9.015 -7.136 4.256 1.00 0.00 N ATOM 1724 CA GLU A 114 -9.619 -8.413 4.617 1.00 0.00 C ATOM 1725 C GLU A 114 -11.139 -8.350 4.494 1.00 0.00 C ATOM 1726 O GLU A 114 -11.779 -7.372 4.881 1.00 0.00 O ATOM 1727 CB GLU A 114 -9.228 -8.802 6.044 1.00 0.00 C ATOM 1728 CG GLU A 114 -9.430 -10.276 6.351 1.00 0.00 C ATOM 1729 CD GLU A 114 -8.881 -10.671 7.708 1.00 0.00 C ATOM 1730 OE1 GLU A 114 -7.876 -10.070 8.140 1.00 0.00 O ATOM 1731 OE2 GLU A 114 -9.459 -11.581 8.339 1.00 0.00 O ATOM 0 H GLU A 114 -8.746 -6.556 5.051 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.247 -9.170 3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.181 -8.546 6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.814 -8.210 6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -10.494 -10.509 6.312 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.945 -10.874 5.579 1.00 0.00 H new