USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 485 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 64 MET CE :methyl 166:sc=-0.00208 (180deg=-0.393) USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0.664 USER MOD Set 2.2: A 53 SER OG : rot -21:sc= 0.653 USER MOD Set 2.3: A 56 THR OG1 : rot 121:sc= 1.92 USER MOD Set 3.1: A 37 SER OG : rot 110:sc= 0.834 USER MOD Set 3.2: A 40 ASN : amide:sc= 0.736 X(o=1.6,f=1.2) USER MOD Set 4.1: A 16 SER OG : rot -29:sc= 0.0701 USER MOD Set 4.2: A 17 CYS SG : rot 160:sc= 0.00562 USER MOD Set 5.1: A 8 ASN : amide:sc= 0.238 X(o=0.24,f=-0.026) USER MOD Set 5.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 5 THR OG1 : rot -150:sc= 0 USER MOD Single : A 12 MET CE :methyl -143:sc= -0.0864 (180deg=-0.237) USER MOD Single : A 19 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 26 SER OG : rot -37:sc= 0.551 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -110:sc= 0.42 (180deg=-0.506) USER MOD Single : A 33 SER OG : rot -82:sc= 0.23 USER MOD Single : A 41 SER OG : rot -9:sc= 0.0466 USER MOD Single : A 42 ASN : amide:sc= -0.233 K(o=-0.23,f=-2.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 1.657 -19.529 0.960 1.00 0.00 N ATOM 37 CA GLN A 3 0.242 -19.244 1.144 1.00 0.00 C ATOM 38 C GLN A 3 0.066 -17.771 1.492 1.00 0.00 C ATOM 39 O GLN A 3 0.964 -17.169 2.071 1.00 0.00 O ATOM 40 CB GLN A 3 -0.320 -20.133 2.261 1.00 0.00 C ATOM 41 CG GLN A 3 -0.079 -21.629 2.010 1.00 0.00 C ATOM 42 CD GLN A 3 -0.500 -22.077 0.613 1.00 0.00 C ATOM 43 OE1 GLN A 3 0.341 -22.465 -0.194 1.00 0.00 O ATOM 44 NE2 GLN A 3 -1.801 -22.022 0.324 1.00 0.00 N ATOM 0 HA GLN A 3 -0.302 -19.456 0.224 1.00 0.00 H new ATOM 0 HB2 GLN A 3 0.138 -19.850 3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.391 -19.953 2.358 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.979 -21.849 2.152 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.628 -22.209 2.752 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.466 -21.693 1.024 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.131 -22.309 -0.597 1.00 0.00 H new ATOM 53 N GLU A 4 -1.087 -17.197 1.132 1.00 0.00 N ATOM 54 CA GLU A 4 -1.394 -15.791 1.353 1.00 0.00 C ATOM 55 C GLU A 4 -2.657 -15.648 2.196 1.00 0.00 C ATOM 56 O GLU A 4 -3.552 -16.489 2.131 1.00 0.00 O ATOM 57 CB GLU A 4 -1.545 -15.061 0.014 1.00 0.00 C ATOM 58 CG GLU A 4 -0.224 -15.049 -0.761 1.00 0.00 C ATOM 59 CD GLU A 4 -0.321 -14.171 -2.002 1.00 0.00 C ATOM 60 OE1 GLU A 4 -0.844 -14.677 -3.019 1.00 0.00 O ATOM 61 OE2 GLU A 4 0.127 -13.007 -1.914 1.00 0.00 O ATOM 0 H GLU A 4 -1.840 -17.709 0.673 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.568 -15.335 1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.316 -15.547 -0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.876 -14.037 0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.576 -14.685 -0.116 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.039 -16.066 -1.052 1.00 0.00 H new ATOM 68 N THR A 5 -2.714 -14.570 2.986 1.00 0.00 N ATOM 69 CA THR A 5 -3.861 -14.209 3.804 1.00 0.00 C ATOM 70 C THR A 5 -3.999 -12.690 3.823 1.00 0.00 C ATOM 71 O THR A 5 -2.999 -11.974 3.786 1.00 0.00 O ATOM 72 CB THR A 5 -3.724 -14.799 5.219 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.854 -14.466 5.999 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.473 -14.309 5.957 1.00 0.00 C ATOM 0 H THR A 5 -1.939 -13.912 3.071 1.00 0.00 H new ATOM 0 HA THR A 5 -4.771 -14.630 3.377 1.00 0.00 H new ATOM 0 HB THR A 5 -3.640 -15.878 5.088 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.593 -14.401 6.941 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.435 -14.761 6.948 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.584 -14.593 5.394 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.510 -13.224 6.054 1.00 0.00 H new ATOM 82 N VAL A 6 -5.246 -12.211 3.880 1.00 0.00 N ATOM 83 CA VAL A 6 -5.590 -10.804 3.988 1.00 0.00 C ATOM 84 C VAL A 6 -6.232 -10.610 5.359 1.00 0.00 C ATOM 85 O VAL A 6 -7.201 -11.292 5.686 1.00 0.00 O ATOM 86 CB VAL A 6 -6.528 -10.388 2.842 1.00 0.00 C ATOM 87 CG1 VAL A 6 -6.844 -8.888 2.924 1.00 0.00 C ATOM 88 CG2 VAL A 6 -5.890 -10.676 1.477 1.00 0.00 C ATOM 0 H VAL A 6 -6.065 -12.818 3.851 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.708 -10.169 3.900 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.445 -10.968 2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.509 -8.611 2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.329 -8.670 3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.919 -8.317 2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.574 -10.373 0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.958 -10.118 1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.684 -11.743 1.390 1.00 0.00 H new ATOM 98 N ILE A 7 -5.682 -9.689 6.156 1.00 0.00 N ATOM 99 CA ILE A 7 -6.117 -9.402 7.515 1.00 0.00 C ATOM 100 C ILE A 7 -6.537 -7.934 7.557 1.00 0.00 C ATOM 101 O ILE A 7 -5.748 -7.072 7.184 1.00 0.00 O ATOM 102 CB ILE A 7 -4.969 -9.700 8.502 1.00 0.00 C ATOM 103 CG1 ILE A 7 -4.465 -11.147 8.319 1.00 0.00 C ATOM 104 CG2 ILE A 7 -5.432 -9.458 9.948 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.334 -11.532 9.280 1.00 0.00 C ATOM 0 H ILE A 7 -4.898 -9.108 5.859 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.960 -10.028 7.808 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.141 -9.023 8.292 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.300 -11.834 8.461 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.118 -11.274 7.294 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.612 -9.672 10.633 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.739 -8.418 10.063 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.274 -10.112 10.175 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.032 -12.562 9.092 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.482 -10.870 9.124 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.683 -11.438 10.308 1.00 0.00 H new ATOM 117 N ASN A 8 -7.762 -7.642 8.010 1.00 0.00 N ATOM 118 CA ASN A 8 -8.224 -6.280 8.244 1.00 0.00 C ATOM 119 C ASN A 8 -7.475 -5.735 9.455 1.00 0.00 C ATOM 120 O ASN A 8 -7.481 -6.376 10.505 1.00 0.00 O ATOM 121 CB ASN A 8 -9.731 -6.235 8.540 1.00 0.00 C ATOM 122 CG ASN A 8 -10.577 -7.041 7.561 1.00 0.00 C ATOM 123 OD1 ASN A 8 -10.886 -6.573 6.468 1.00 0.00 O ATOM 124 ND2 ASN A 8 -10.962 -8.254 7.962 1.00 0.00 N ATOM 0 H ASN A 8 -8.461 -8.353 8.224 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.037 -5.687 7.349 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.905 -6.610 9.549 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -10.064 -5.197 8.524 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.537 -8.834 7.351 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.681 -8.601 8.879 1.00 0.00 H new ATOM 131 N ILE A 9 -6.838 -4.568 9.314 1.00 0.00 N ATOM 132 CA ILE A 9 -6.090 -3.914 10.377 1.00 0.00 C ATOM 133 C ILE A 9 -6.691 -2.522 10.553 1.00 0.00 C ATOM 134 O ILE A 9 -6.322 -1.589 9.843 1.00 0.00 O ATOM 135 CB ILE A 9 -4.584 -3.856 10.054 1.00 0.00 C ATOM 136 CG1 ILE A 9 -4.028 -5.225 9.628 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.843 -3.345 11.298 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.553 -5.159 9.218 1.00 0.00 C ATOM 0 H ILE A 9 -6.832 -4.046 8.438 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.168 -4.478 11.307 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.433 -3.181 9.212 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.142 -5.931 10.450 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.616 -5.609 8.795 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.774 -3.296 11.090 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.208 -2.351 11.556 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.020 -4.024 12.132 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.212 -6.152 8.927 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.439 -4.475 8.377 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.957 -4.803 10.058 1.00 0.00 H new ATOM 150 N ASP A 10 -7.619 -2.390 11.503 1.00 0.00 N ATOM 151 CA ASP A 10 -8.305 -1.136 11.773 1.00 0.00 C ATOM 152 C ASP A 10 -7.633 -0.479 12.978 1.00 0.00 C ATOM 153 O ASP A 10 -7.363 -1.140 13.978 1.00 0.00 O ATOM 154 CB ASP A 10 -9.798 -1.397 11.996 1.00 0.00 C ATOM 155 CG ASP A 10 -10.430 -2.047 10.768 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.748 -1.290 9.824 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.579 -3.288 10.789 1.00 0.00 O ATOM 0 H ASP A 10 -7.913 -3.157 12.107 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.233 -0.454 10.926 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.932 -2.043 12.863 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.306 -0.458 12.217 1.00 0.00 H new ATOM 162 N GLY A 11 -7.332 0.819 12.854 1.00 0.00 N ATOM 163 CA GLY A 11 -6.524 1.566 13.809 1.00 0.00 C ATOM 164 C GLY A 11 -5.389 2.306 13.099 1.00 0.00 C ATOM 165 O GLY A 11 -4.944 3.344 13.585 1.00 0.00 O ATOM 0 H GLY A 11 -7.653 1.386 12.069 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.151 2.280 14.343 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.111 0.885 14.553 1.00 0.00 H new ATOM 169 N MET A 12 -4.924 1.784 11.954 1.00 0.00 N ATOM 170 CA MET A 12 -3.925 2.448 11.129 1.00 0.00 C ATOM 171 C MET A 12 -4.476 3.794 10.660 1.00 0.00 C ATOM 172 O MET A 12 -5.545 3.842 10.053 1.00 0.00 O ATOM 173 CB MET A 12 -3.544 1.579 9.921 1.00 0.00 C ATOM 174 CG MET A 12 -3.030 0.199 10.337 1.00 0.00 C ATOM 175 SD MET A 12 -2.178 -0.731 9.032 1.00 0.00 S ATOM 176 CE MET A 12 -3.450 -0.778 7.752 1.00 0.00 C ATOM 0 H MET A 12 -5.236 0.888 11.581 1.00 0.00 H new ATOM 0 HA MET A 12 -3.025 2.607 11.723 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.413 1.461 9.273 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.778 2.089 9.337 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.348 0.321 11.179 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.873 -0.393 10.693 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.418 -1.741 7.242 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.430 -0.642 8.208 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.271 0.020 7.032 1.00 0.00 H new ATOM 225 N SER A 16 3.359 5.911 9.625 1.00 0.00 N ATOM 226 CA SER A 16 4.093 5.339 10.747 1.00 0.00 C ATOM 227 C SER A 16 3.568 3.944 11.103 1.00 0.00 C ATOM 228 O SER A 16 4.360 3.037 11.356 1.00 0.00 O ATOM 229 CB SER A 16 4.009 6.287 11.947 1.00 0.00 C ATOM 230 OG SER A 16 2.663 6.491 12.324 1.00 0.00 O ATOM 0 HA SER A 16 5.138 5.222 10.461 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.569 5.872 12.785 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.471 7.242 11.697 1.00 0.00 H new ATOM 0 HG SER A 16 2.086 6.400 11.537 1.00 0.00 H new ATOM 236 N CYS A 17 2.239 3.771 11.099 1.00 0.00 N ATOM 237 CA CYS A 17 1.590 2.494 11.363 1.00 0.00 C ATOM 238 C CYS A 17 1.997 1.480 10.295 1.00 0.00 C ATOM 239 O CYS A 17 2.408 0.371 10.628 1.00 0.00 O ATOM 240 CB CYS A 17 0.061 2.644 11.399 1.00 0.00 C ATOM 241 SG CYS A 17 -0.456 3.884 12.618 1.00 0.00 S ATOM 0 H CYS A 17 1.582 4.528 10.909 1.00 0.00 H new ATOM 0 HA CYS A 17 1.913 2.139 12.342 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.301 2.930 10.411 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.394 1.683 11.640 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.659 4.292 12.339 1.00 0.00 H new ATOM 247 N VAL A 18 1.888 1.872 9.018 1.00 0.00 N ATOM 248 CA VAL A 18 2.213 1.034 7.870 1.00 0.00 C ATOM 249 C VAL A 18 3.641 0.501 7.992 1.00 0.00 C ATOM 250 O VAL A 18 3.843 -0.711 7.995 1.00 0.00 O ATOM 251 CB VAL A 18 2.019 1.814 6.554 1.00 0.00 C ATOM 252 CG1 VAL A 18 2.361 0.950 5.334 1.00 0.00 C ATOM 253 CG2 VAL A 18 0.576 2.305 6.406 1.00 0.00 C ATOM 0 H VAL A 18 1.564 2.803 8.755 1.00 0.00 H new ATOM 0 HA VAL A 18 1.532 0.183 7.854 1.00 0.00 H new ATOM 0 HB VAL A 18 2.696 2.667 6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.213 1.531 4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.401 0.630 5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.712 0.074 5.315 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.472 2.851 5.468 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.101 1.451 6.405 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.328 2.963 7.239 1.00 0.00 H new ATOM 263 N GLN A 19 4.622 1.407 8.093 1.00 0.00 N ATOM 264 CA GLN A 19 6.032 1.054 8.149 1.00 0.00 C ATOM 265 C GLN A 19 6.344 0.197 9.377 1.00 0.00 C ATOM 266 O GLN A 19 7.098 -0.766 9.266 1.00 0.00 O ATOM 267 CB GLN A 19 6.913 2.314 8.127 1.00 0.00 C ATOM 268 CG GLN A 19 6.679 3.219 6.908 1.00 0.00 C ATOM 269 CD GLN A 19 6.746 2.471 5.580 1.00 0.00 C ATOM 270 OE1 GLN A 19 7.697 1.737 5.323 1.00 0.00 O ATOM 271 NE2 GLN A 19 5.733 2.653 4.728 1.00 0.00 N ATOM 0 H GLN A 19 4.450 2.411 8.138 1.00 0.00 H new ATOM 0 HA GLN A 19 6.259 0.461 7.263 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.729 2.889 9.034 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.960 2.013 8.147 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.703 3.696 7.000 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.424 4.015 6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.961 3.271 4.978 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.732 2.174 3.827 1.00 0.00 H new ATOM 280 N SER A 20 5.767 0.539 10.537 1.00 0.00 N ATOM 281 CA SER A 20 5.962 -0.207 11.773 1.00 0.00 C ATOM 282 C SER A 20 5.511 -1.660 11.603 1.00 0.00 C ATOM 283 O SER A 20 6.314 -2.575 11.776 1.00 0.00 O ATOM 284 CB SER A 20 5.225 0.487 12.924 1.00 0.00 C ATOM 285 OG SER A 20 5.410 -0.226 14.127 1.00 0.00 O ATOM 0 H SER A 20 5.151 1.345 10.638 1.00 0.00 H new ATOM 0 HA SER A 20 7.024 -0.225 12.017 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.593 1.507 13.038 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.162 0.556 12.694 1.00 0.00 H new ATOM 0 HG SER A 20 4.935 0.229 14.853 1.00 0.00 H new ATOM 291 N ILE A 21 4.233 -1.867 11.259 1.00 0.00 N ATOM 292 CA ILE A 21 3.647 -3.193 11.097 1.00 0.00 C ATOM 293 C ILE A 21 4.429 -3.976 10.045 1.00 0.00 C ATOM 294 O ILE A 21 4.905 -5.071 10.328 1.00 0.00 O ATOM 295 CB ILE A 21 2.157 -3.088 10.727 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.351 -2.425 11.860 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.580 -4.486 10.445 1.00 0.00 C ATOM 298 CD1 ILE A 21 0.034 -1.862 11.325 1.00 0.00 C ATOM 0 H ILE A 21 3.575 -1.107 11.085 1.00 0.00 H new ATOM 0 HA ILE A 21 3.710 -3.730 12.043 1.00 0.00 H new ATOM 0 HB ILE A 21 2.078 -2.471 9.832 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.149 -3.154 12.645 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.938 -1.625 12.311 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.525 -4.398 10.184 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.122 -4.943 9.617 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.684 -5.108 11.334 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.521 -1.398 12.140 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.242 -1.117 10.557 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.559 -2.669 10.896 1.00 0.00 H new ATOM 310 N GLU A 22 4.558 -3.416 8.838 1.00 0.00 N ATOM 311 CA GLU A 22 5.209 -4.070 7.713 1.00 0.00 C ATOM 312 C GLU A 22 6.634 -4.493 8.083 1.00 0.00 C ATOM 313 O GLU A 22 7.015 -5.639 7.856 1.00 0.00 O ATOM 314 CB GLU A 22 5.161 -3.137 6.496 1.00 0.00 C ATOM 315 CG GLU A 22 5.509 -3.866 5.195 1.00 0.00 C ATOM 316 CD GLU A 22 5.232 -2.977 3.987 1.00 0.00 C ATOM 317 OE1 GLU A 22 4.089 -3.040 3.485 1.00 0.00 O ATOM 318 OE2 GLU A 22 6.166 -2.246 3.591 1.00 0.00 O ATOM 0 H GLU A 22 4.207 -2.484 8.619 1.00 0.00 H new ATOM 0 HA GLU A 22 4.679 -4.987 7.453 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.165 -2.703 6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.857 -2.311 6.645 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.559 -4.157 5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.925 -4.783 5.119 1.00 0.00 H new ATOM 325 N GLY A 23 7.406 -3.573 8.674 1.00 0.00 N ATOM 326 CA GLY A 23 8.774 -3.807 9.109 1.00 0.00 C ATOM 327 C GLY A 23 8.874 -4.960 10.107 1.00 0.00 C ATOM 328 O GLY A 23 9.655 -5.885 9.896 1.00 0.00 O ATOM 0 H GLY A 23 7.082 -2.625 8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.397 -4.025 8.241 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.169 -2.899 9.565 1.00 0.00 H new ATOM 332 N VAL A 24 8.093 -4.913 11.192 1.00 0.00 N ATOM 333 CA VAL A 24 8.124 -5.931 12.234 1.00 0.00 C ATOM 334 C VAL A 24 7.692 -7.289 11.676 1.00 0.00 C ATOM 335 O VAL A 24 8.428 -8.267 11.794 1.00 0.00 O ATOM 336 CB VAL A 24 7.259 -5.484 13.429 1.00 0.00 C ATOM 337 CG1 VAL A 24 7.070 -6.611 14.452 1.00 0.00 C ATOM 338 CG2 VAL A 24 7.918 -4.294 14.140 1.00 0.00 C ATOM 0 H VAL A 24 7.423 -4.165 11.367 1.00 0.00 H new ATOM 0 HA VAL A 24 9.146 -6.051 12.594 1.00 0.00 H new ATOM 0 HB VAL A 24 6.284 -5.204 13.030 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.455 -6.254 15.278 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.579 -7.458 13.973 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.042 -6.923 14.833 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.299 -3.986 14.983 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.904 -4.587 14.501 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.020 -3.464 13.441 1.00 0.00 H new ATOM 348 N ILE A 25 6.499 -7.351 11.074 1.00 0.00 N ATOM 349 CA ILE A 25 5.893 -8.593 10.617 1.00 0.00 C ATOM 350 C ILE A 25 6.727 -9.254 9.512 1.00 0.00 C ATOM 351 O ILE A 25 6.853 -10.477 9.514 1.00 0.00 O ATOM 352 CB ILE A 25 4.421 -8.365 10.224 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.567 -7.821 11.390 1.00 0.00 C ATOM 354 CG2 ILE A 25 3.790 -9.651 9.673 1.00 0.00 C ATOM 355 CD1 ILE A 25 3.391 -8.776 12.577 1.00 0.00 C ATOM 0 H ILE A 25 5.926 -6.527 10.891 1.00 0.00 H new ATOM 0 HA ILE A 25 5.887 -9.305 11.442 1.00 0.00 H new ATOM 0 HB ILE A 25 4.431 -7.605 9.443 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.022 -6.899 11.752 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.581 -7.561 11.005 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.751 -9.460 9.404 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.340 -9.977 8.790 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.830 -10.431 10.433 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.776 -8.299 13.340 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.904 -9.691 12.239 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.367 -9.018 12.997 1.00 0.00 H new ATOM 367 N SER A 26 7.318 -8.479 8.589 1.00 0.00 N ATOM 368 CA SER A 26 8.187 -9.022 7.544 1.00 0.00 C ATOM 369 C SER A 26 9.338 -9.860 8.113 1.00 0.00 C ATOM 370 O SER A 26 9.786 -10.801 7.462 1.00 0.00 O ATOM 371 CB SER A 26 8.733 -7.910 6.640 1.00 0.00 C ATOM 372 OG SER A 26 9.552 -7.016 7.360 1.00 0.00 O ATOM 0 H SER A 26 7.205 -7.466 8.549 1.00 0.00 H new ATOM 0 HA SER A 26 7.566 -9.687 6.944 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.304 -8.351 5.823 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.903 -7.364 6.191 1.00 0.00 H new ATOM 0 HG SER A 26 9.183 -6.886 8.259 1.00 0.00 H new ATOM 378 N LYS A 27 9.811 -9.524 9.321 1.00 0.00 N ATOM 379 CA LYS A 27 10.949 -10.173 9.958 1.00 0.00 C ATOM 380 C LYS A 27 10.528 -11.382 10.803 1.00 0.00 C ATOM 381 O LYS A 27 11.399 -12.098 11.297 1.00 0.00 O ATOM 382 CB LYS A 27 11.699 -9.145 10.818 1.00 0.00 C ATOM 383 CG LYS A 27 12.294 -8.021 9.959 1.00 0.00 C ATOM 384 CD LYS A 27 12.890 -6.929 10.852 1.00 0.00 C ATOM 385 CE LYS A 27 13.437 -5.782 9.997 1.00 0.00 C ATOM 386 NZ LYS A 27 13.994 -4.709 10.837 1.00 0.00 N ATOM 0 H LYS A 27 9.402 -8.780 9.887 1.00 0.00 H new ATOM 0 HA LYS A 27 11.607 -10.552 9.176 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.018 -8.720 11.555 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.496 -9.643 11.370 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.065 -8.425 9.303 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.521 -7.595 9.319 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.128 -6.552 11.534 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.688 -7.347 11.465 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.209 -6.161 9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.641 -5.380 9.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.357 -3.946 10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.250 -4.333 11.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.770 -5.089 11.416 1.00 0.00 H new ATOM 400 N LYS A 28 9.221 -11.636 10.970 1.00 0.00 N ATOM 401 CA LYS A 28 8.742 -12.808 11.693 1.00 0.00 C ATOM 402 C LYS A 28 9.019 -14.063 10.856 1.00 0.00 C ATOM 403 O LYS A 28 8.901 -14.016 9.632 1.00 0.00 O ATOM 404 CB LYS A 28 7.242 -12.683 11.996 1.00 0.00 C ATOM 405 CG LYS A 28 6.903 -11.495 12.905 1.00 0.00 C ATOM 406 CD LYS A 28 7.323 -11.716 14.362 1.00 0.00 C ATOM 407 CE LYS A 28 6.916 -10.504 15.206 1.00 0.00 C ATOM 408 NZ LYS A 28 7.301 -10.677 16.615 1.00 0.00 N ATOM 0 H LYS A 28 8.479 -11.037 10.609 1.00 0.00 H new ATOM 0 HA LYS A 28 9.269 -12.883 12.644 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.696 -12.581 11.058 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.896 -13.603 12.468 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.395 -10.600 12.523 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.830 -11.310 12.866 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.853 -12.618 14.753 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.401 -11.867 14.421 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.387 -9.606 14.806 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.838 -10.356 15.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.011 -9.839 17.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.832 -11.521 17.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.332 -10.793 16.681 1.00 0.00 H new ATOM 422 N PRO A 29 9.390 -15.189 11.492 1.00 0.00 N ATOM 423 CA PRO A 29 9.751 -16.408 10.789 1.00 0.00 C ATOM 424 C PRO A 29 8.546 -16.949 10.025 1.00 0.00 C ATOM 425 O PRO A 29 7.446 -17.028 10.571 1.00 0.00 O ATOM 426 CB PRO A 29 10.236 -17.380 11.870 1.00 0.00 C ATOM 427 CG PRO A 29 9.515 -16.900 13.128 1.00 0.00 C ATOM 428 CD PRO A 29 9.464 -15.386 12.929 1.00 0.00 C ATOM 0 HA PRO A 29 10.531 -16.246 10.045 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.978 -18.411 11.628 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.319 -17.342 11.988 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.517 -17.331 13.212 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.057 -17.171 14.034 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.598 -14.953 13.430 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.348 -14.905 13.347 1.00 0.00 H new ATOM 436 N GLY A 30 8.760 -17.301 8.752 1.00 0.00 N ATOM 437 CA GLY A 30 7.721 -17.795 7.865 1.00 0.00 C ATOM 438 C GLY A 30 7.245 -16.725 6.887 1.00 0.00 C ATOM 439 O GLY A 30 6.926 -17.060 5.749 1.00 0.00 O ATOM 0 H GLY A 30 9.678 -17.247 8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.098 -18.653 7.308 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.876 -18.146 8.457 1.00 0.00 H new ATOM 443 N VAL A 31 7.185 -15.457 7.319 1.00 0.00 N ATOM 444 CA VAL A 31 6.687 -14.367 6.488 1.00 0.00 C ATOM 445 C VAL A 31 7.672 -14.093 5.351 1.00 0.00 C ATOM 446 O VAL A 31 8.867 -13.929 5.593 1.00 0.00 O ATOM 447 CB VAL A 31 6.426 -13.105 7.328 1.00 0.00 C ATOM 448 CG1 VAL A 31 5.865 -11.980 6.445 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.413 -13.407 8.437 1.00 0.00 C ATOM 0 H VAL A 31 7.480 -15.166 8.251 1.00 0.00 H new ATOM 0 HA VAL A 31 5.732 -14.662 6.052 1.00 0.00 H new ATOM 0 HB VAL A 31 7.373 -12.790 7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.686 -11.094 7.054 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.583 -11.741 5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.928 -12.305 5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.237 -12.506 9.024 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.475 -13.739 7.992 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.805 -14.191 9.085 1.00 0.00 H new ATOM 459 N LYS A 32 7.156 -14.044 4.117 1.00 0.00 N ATOM 460 CA LYS A 32 7.915 -13.729 2.918 1.00 0.00 C ATOM 461 C LYS A 32 7.645 -12.266 2.557 1.00 0.00 C ATOM 462 O LYS A 32 8.208 -11.377 3.193 1.00 0.00 O ATOM 463 CB LYS A 32 7.568 -14.728 1.800 1.00 0.00 C ATOM 464 CG LYS A 32 7.988 -16.150 2.195 1.00 0.00 C ATOM 465 CD LYS A 32 7.660 -17.211 1.135 1.00 0.00 C ATOM 466 CE LYS A 32 8.472 -17.065 -0.160 1.00 0.00 C ATOM 467 NZ LYS A 32 7.783 -16.235 -1.162 1.00 0.00 N ATOM 0 H LYS A 32 6.171 -14.229 3.928 1.00 0.00 H new ATOM 0 HA LYS A 32 8.988 -13.833 3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.497 -14.702 1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.070 -14.438 0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.061 -16.162 2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.494 -16.418 3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.840 -18.200 1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.598 -17.155 0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.442 -16.623 0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.663 -18.053 -0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.468 -16.834 -1.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.959 -15.776 -0.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.436 -15.508 -1.519 1.00 0.00 H new ATOM 481 N SER A 33 6.786 -12.005 1.564 1.00 0.00 N ATOM 482 CA SER A 33 6.382 -10.656 1.190 1.00 0.00 C ATOM 483 C SER A 33 5.188 -10.220 2.040 1.00 0.00 C ATOM 484 O SER A 33 4.396 -11.054 2.475 1.00 0.00 O ATOM 485 CB SER A 33 6.044 -10.615 -0.303 1.00 0.00 C ATOM 486 OG SER A 33 5.018 -11.534 -0.614 1.00 0.00 O ATOM 0 H SER A 33 6.352 -12.734 0.997 1.00 0.00 H new ATOM 0 HA SER A 33 7.202 -9.961 1.374 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.732 -9.608 -0.582 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.934 -10.846 -0.888 1.00 0.00 H new ATOM 0 HG SER A 33 5.403 -12.427 -0.731 1.00 0.00 H new ATOM 492 N ILE A 34 5.057 -8.910 2.267 1.00 0.00 N ATOM 493 CA ILE A 34 3.934 -8.329 2.986 1.00 0.00 C ATOM 494 C ILE A 34 3.678 -6.912 2.470 1.00 0.00 C ATOM 495 O ILE A 34 4.609 -6.116 2.364 1.00 0.00 O ATOM 496 CB ILE A 34 4.152 -8.389 4.511 1.00 0.00 C ATOM 497 CG1 ILE A 34 3.043 -7.588 5.217 1.00 0.00 C ATOM 498 CG2 ILE A 34 5.550 -7.914 4.932 1.00 0.00 C ATOM 499 CD1 ILE A 34 3.019 -7.786 6.733 1.00 0.00 C ATOM 0 H ILE A 34 5.739 -8.220 1.951 1.00 0.00 H new ATOM 0 HA ILE A 34 3.036 -8.917 2.796 1.00 0.00 H new ATOM 0 HB ILE A 34 4.093 -9.433 4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.176 -6.528 4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.077 -7.879 4.805 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.645 -7.979 6.016 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.305 -8.545 4.463 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.694 -6.881 4.616 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.213 -7.192 7.165 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.855 -8.839 6.960 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.971 -7.467 7.157 1.00 0.00 H new ATOM 511 N ARG A 35 2.409 -6.618 2.155 1.00 0.00 N ATOM 512 CA ARG A 35 1.933 -5.323 1.692 1.00 0.00 C ATOM 513 C ARG A 35 0.871 -4.814 2.666 1.00 0.00 C ATOM 514 O ARG A 35 -0.255 -5.310 2.660 1.00 0.00 O ATOM 515 CB ARG A 35 1.338 -5.449 0.278 1.00 0.00 C ATOM 516 CG ARG A 35 2.316 -5.904 -0.818 1.00 0.00 C ATOM 517 CD ARG A 35 3.377 -4.857 -1.181 1.00 0.00 C ATOM 518 NE ARG A 35 4.439 -4.793 -0.172 1.00 0.00 N ATOM 519 CZ ARG A 35 5.393 -3.853 -0.091 1.00 0.00 C ATOM 520 NH1 ARG A 35 5.487 -2.882 -1.008 1.00 0.00 N ATOM 521 NH2 ARG A 35 6.257 -3.898 0.930 1.00 0.00 N ATOM 0 H ARG A 35 1.662 -7.309 2.221 1.00 0.00 H new ATOM 0 HA ARG A 35 2.764 -4.619 1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.508 -6.154 0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.923 -4.483 -0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.817 -6.815 -0.489 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.749 -6.158 -1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.810 -5.099 -2.152 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.906 -3.879 -1.277 1.00 0.00 H new ATOM 0 HE ARG A 35 4.454 -5.530 0.533 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.827 -2.848 -1.785 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.219 -2.176 -0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.183 -4.638 1.629 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.990 -3.193 1.010 1.00 0.00 H new ATOM 535 N VAL A 36 1.230 -3.823 3.491 1.00 0.00 N ATOM 536 CA VAL A 36 0.308 -3.142 4.391 1.00 0.00 C ATOM 537 C VAL A 36 -0.203 -1.880 3.695 1.00 0.00 C ATOM 538 O VAL A 36 0.598 -1.064 3.240 1.00 0.00 O ATOM 539 CB VAL A 36 0.995 -2.838 5.733 1.00 0.00 C ATOM 540 CG1 VAL A 36 0.016 -2.161 6.701 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.512 -4.124 6.391 1.00 0.00 C ATOM 0 H VAL A 36 2.185 -3.471 3.548 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.546 -3.779 4.620 1.00 0.00 H new ATOM 0 HB VAL A 36 1.832 -2.172 5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.521 -1.954 7.644 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.337 -1.226 6.266 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.833 -2.821 6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.993 -3.880 7.338 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.677 -4.801 6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.233 -4.606 5.731 1.00 0.00 H new ATOM 551 N SER A 37 -1.531 -1.730 3.607 1.00 0.00 N ATOM 552 CA SER A 37 -2.198 -0.602 2.968 1.00 0.00 C ATOM 553 C SER A 37 -3.003 0.184 4.002 1.00 0.00 C ATOM 554 O SER A 37 -3.940 -0.350 4.595 1.00 0.00 O ATOM 555 CB SER A 37 -3.117 -1.113 1.854 1.00 0.00 C ATOM 556 OG SER A 37 -3.820 -0.036 1.265 1.00 0.00 O ATOM 0 H SER A 37 -2.184 -2.413 3.991 1.00 0.00 H new ATOM 0 HA SER A 37 -1.449 0.061 2.534 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.528 -1.630 1.096 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.822 -1.838 2.259 1.00 0.00 H new ATOM 0 HG SER A 37 -3.485 0.116 0.357 1.00 0.00 H new ATOM 562 N LEU A 38 -2.647 1.462 4.186 1.00 0.00 N ATOM 563 CA LEU A 38 -3.409 2.413 4.985 1.00 0.00 C ATOM 564 C LEU A 38 -4.785 2.635 4.355 1.00 0.00 C ATOM 565 O LEU A 38 -5.797 2.562 5.048 1.00 0.00 O ATOM 566 CB LEU A 38 -2.624 3.731 5.093 1.00 0.00 C ATOM 567 CG LEU A 38 -3.329 4.831 5.904 1.00 0.00 C ATOM 568 CD1 LEU A 38 -3.589 4.404 7.352 1.00 0.00 C ATOM 569 CD2 LEU A 38 -2.452 6.088 5.910 1.00 0.00 C ATOM 0 H LEU A 38 -1.805 1.865 3.774 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.560 2.018 5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.656 3.526 5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.430 4.106 4.088 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.292 5.026 5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.088 5.213 7.886 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.223 3.517 7.362 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.641 4.178 7.840 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.945 6.873 6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.489 5.857 6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.298 6.429 4.886 1.00 0.00 H new ATOM 581 N ALA A 39 -4.808 2.901 3.043 1.00 0.00 N ATOM 582 CA ALA A 39 -6.013 3.189 2.276 1.00 0.00 C ATOM 583 C ALA A 39 -7.079 2.108 2.457 1.00 0.00 C ATOM 584 O ALA A 39 -8.236 2.426 2.722 1.00 0.00 O ATOM 585 CB ALA A 39 -5.647 3.349 0.797 1.00 0.00 C ATOM 0 H ALA A 39 -3.961 2.921 2.475 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.442 4.119 2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.547 3.565 0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.939 4.170 0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.195 2.427 0.432 1.00 0.00 H new ATOM 591 N ASN A 40 -6.688 0.834 2.319 1.00 0.00 N ATOM 592 CA ASN A 40 -7.597 -0.300 2.449 1.00 0.00 C ATOM 593 C ASN A 40 -7.684 -0.811 3.894 1.00 0.00 C ATOM 594 O ASN A 40 -8.446 -1.742 4.152 1.00 0.00 O ATOM 595 CB ASN A 40 -7.161 -1.421 1.497 1.00 0.00 C ATOM 596 CG ASN A 40 -7.235 -0.991 0.033 1.00 0.00 C ATOM 597 OD1 ASN A 40 -8.268 -1.152 -0.611 1.00 0.00 O ATOM 598 ND2 ASN A 40 -6.139 -0.447 -0.500 1.00 0.00 N ATOM 0 H ASN A 40 -5.726 0.566 2.113 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.597 0.037 2.177 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.141 -1.722 1.735 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.795 -2.294 1.651 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.141 -0.148 -1.475 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.300 -0.330 0.068 1.00 0.00 H new ATOM 605 N SER A 41 -6.925 -0.218 4.828 1.00 0.00 N ATOM 606 CA SER A 41 -6.897 -0.574 6.244 1.00 0.00 C ATOM 607 C SER A 41 -6.716 -2.080 6.442 1.00 0.00 C ATOM 608 O SER A 41 -7.497 -2.713 7.152 1.00 0.00 O ATOM 609 CB SER A 41 -8.155 -0.044 6.948 1.00 0.00 C ATOM 610 OG SER A 41 -8.246 1.355 6.784 1.00 0.00 O ATOM 0 H SER A 41 -6.293 0.550 4.604 1.00 0.00 H new ATOM 0 HA SER A 41 -6.031 -0.098 6.703 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.042 -0.525 6.536 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.120 -0.293 8.009 1.00 0.00 H new ATOM 0 HG SER A 41 -7.418 1.692 6.383 1.00 0.00 H new ATOM 616 N ASN A 42 -5.691 -2.658 5.802 1.00 0.00 N ATOM 617 CA ASN A 42 -5.461 -4.096 5.828 1.00 0.00 C ATOM 618 C ASN A 42 -3.998 -4.438 5.554 1.00 0.00 C ATOM 619 O ASN A 42 -3.207 -3.576 5.170 1.00 0.00 O ATOM 620 CB ASN A 42 -6.427 -4.815 4.867 1.00 0.00 C ATOM 621 CG ASN A 42 -6.218 -4.486 3.388 1.00 0.00 C ATOM 622 OD1 ASN A 42 -5.268 -3.809 3.006 1.00 0.00 O ATOM 623 ND2 ASN A 42 -7.121 -4.980 2.538 1.00 0.00 N ATOM 0 H ASN A 42 -5.004 -2.138 5.256 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.673 -4.459 6.834 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.321 -5.891 5.005 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.450 -4.558 5.142 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.033 -4.798 1.538 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.899 -5.539 2.888 1.00 0.00 H new ATOM 630 N GLY A 43 -3.659 -5.716 5.760 1.00 0.00 N ATOM 631 CA GLY A 43 -2.348 -6.289 5.529 1.00 0.00 C ATOM 632 C GLY A 43 -2.497 -7.576 4.728 1.00 0.00 C ATOM 633 O GLY A 43 -3.135 -8.519 5.194 1.00 0.00 O ATOM 0 H GLY A 43 -4.329 -6.402 6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.719 -5.581 4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.855 -6.493 6.479 1.00 0.00 H new ATOM 637 N THR A 44 -1.893 -7.607 3.536 1.00 0.00 N ATOM 638 CA THR A 44 -1.849 -8.765 2.659 1.00 0.00 C ATOM 639 C THR A 44 -0.487 -9.421 2.868 1.00 0.00 C ATOM 640 O THR A 44 0.524 -8.898 2.403 1.00 0.00 O ATOM 641 CB THR A 44 -2.062 -8.316 1.206 1.00 0.00 C ATOM 642 OG1 THR A 44 -3.336 -7.714 1.095 1.00 0.00 O ATOM 643 CG2 THR A 44 -1.983 -9.496 0.232 1.00 0.00 C ATOM 0 H THR A 44 -1.408 -6.797 3.149 1.00 0.00 H new ATOM 0 HA THR A 44 -2.637 -9.484 2.883 1.00 0.00 H new ATOM 0 HB THR A 44 -1.273 -7.609 0.949 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.481 -7.422 0.171 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.139 -9.139 -0.786 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.001 -9.964 0.306 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.753 -10.226 0.482 1.00 0.00 H new ATOM 651 N VAL A 45 -0.474 -10.545 3.594 1.00 0.00 N ATOM 652 CA VAL A 45 0.732 -11.205 4.071 1.00 0.00 C ATOM 653 C VAL A 45 0.902 -12.543 3.352 1.00 0.00 C ATOM 654 O VAL A 45 -0.030 -13.345 3.338 1.00 0.00 O ATOM 655 CB VAL A 45 0.636 -11.429 5.594 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.013 -11.826 6.145 1.00 0.00 C ATOM 657 CG2 VAL A 45 0.127 -10.188 6.342 1.00 0.00 C ATOM 0 H VAL A 45 -1.329 -11.028 3.870 1.00 0.00 H new ATOM 0 HA VAL A 45 1.597 -10.576 3.861 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.087 -12.229 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.943 -11.984 7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.346 -12.746 5.664 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.730 -11.030 5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.079 -10.401 7.410 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.807 -9.354 6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.867 -9.927 5.979 1.00 0.00 H new ATOM 667 N GLU A 46 2.089 -12.782 2.780 1.00 0.00 N ATOM 668 CA GLU A 46 2.498 -14.077 2.253 1.00 0.00 C ATOM 669 C GLU A 46 3.371 -14.748 3.310 1.00 0.00 C ATOM 670 O GLU A 46 4.251 -14.103 3.875 1.00 0.00 O ATOM 671 CB GLU A 46 3.256 -13.903 0.933 1.00 0.00 C ATOM 672 CG GLU A 46 3.585 -15.261 0.299 1.00 0.00 C ATOM 673 CD GLU A 46 4.244 -15.088 -1.064 1.00 0.00 C ATOM 674 OE1 GLU A 46 5.367 -14.539 -1.085 1.00 0.00 O ATOM 675 OE2 GLU A 46 3.616 -15.508 -2.060 1.00 0.00 O ATOM 0 H GLU A 46 2.802 -12.061 2.672 1.00 0.00 H new ATOM 0 HA GLU A 46 1.629 -14.699 2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.656 -13.312 0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.178 -13.349 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.248 -15.822 0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.672 -15.846 0.193 1.00 0.00 H new ATOM 682 N TYR A 47 3.109 -16.028 3.593 1.00 0.00 N ATOM 683 CA TYR A 47 3.709 -16.746 4.704 1.00 0.00 C ATOM 684 C TYR A 47 3.842 -18.241 4.410 1.00 0.00 C ATOM 685 O TYR A 47 3.208 -18.757 3.490 1.00 0.00 O ATOM 686 CB TYR A 47 2.860 -16.516 5.960 1.00 0.00 C ATOM 687 CG TYR A 47 1.503 -17.201 5.925 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.452 -16.652 5.168 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.335 -18.459 6.536 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.753 -17.358 5.015 1.00 0.00 C ATOM 691 CE2 TYR A 47 0.127 -19.160 6.390 1.00 0.00 C ATOM 692 CZ TYR A 47 -0.915 -18.614 5.620 1.00 0.00 C ATOM 693 OH TYR A 47 -2.082 -19.301 5.457 1.00 0.00 O ATOM 0 H TYR A 47 2.464 -16.596 3.044 1.00 0.00 H new ATOM 0 HA TYR A 47 4.718 -16.364 4.862 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.413 -16.872 6.829 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.711 -15.445 6.094 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.572 -15.685 4.703 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.138 -18.886 7.119 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.556 -16.933 4.431 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.002 -20.119 6.869 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.031 -20.152 5.940 1.00 0.00 H new ATOM 703 N ASP A 48 4.656 -18.927 5.224 1.00 0.00 N ATOM 704 CA ASP A 48 4.809 -20.376 5.203 1.00 0.00 C ATOM 705 C ASP A 48 4.018 -20.993 6.370 1.00 0.00 C ATOM 706 O ASP A 48 4.357 -20.723 7.523 1.00 0.00 O ATOM 707 CB ASP A 48 6.296 -20.744 5.281 1.00 0.00 C ATOM 708 CG ASP A 48 6.510 -22.226 4.974 1.00 0.00 C ATOM 709 OD1 ASP A 48 6.046 -23.053 5.789 1.00 0.00 O ATOM 710 OD2 ASP A 48 7.128 -22.508 3.925 1.00 0.00 O ATOM 0 H ASP A 48 5.237 -18.473 5.929 1.00 0.00 H new ATOM 0 HA ASP A 48 4.412 -20.776 4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.862 -20.137 4.574 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.679 -20.516 6.276 1.00 0.00 H new ATOM 715 N PRO A 49 2.986 -21.818 6.097 1.00 0.00 N ATOM 716 CA PRO A 49 2.171 -22.511 7.093 1.00 0.00 C ATOM 717 C PRO A 49 2.949 -23.193 8.221 1.00 0.00 C ATOM 718 O PRO A 49 2.519 -23.158 9.371 1.00 0.00 O ATOM 719 CB PRO A 49 1.354 -23.540 6.311 1.00 0.00 C ATOM 720 CG PRO A 49 1.155 -22.848 4.968 1.00 0.00 C ATOM 721 CD PRO A 49 2.486 -22.127 4.766 1.00 0.00 C ATOM 0 HA PRO A 49 1.562 -21.773 7.615 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.886 -24.486 6.206 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.405 -23.761 6.799 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.955 -23.562 4.169 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.316 -22.152 4.990 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.191 -22.756 4.222 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.351 -21.218 4.180 1.00 0.00 H new ATOM 729 N LEU A 50 4.080 -23.828 7.891 1.00 0.00 N ATOM 730 CA LEU A 50 4.860 -24.613 8.839 1.00 0.00 C ATOM 731 C LEU A 50 5.493 -23.736 9.925 1.00 0.00 C ATOM 732 O LEU A 50 5.731 -24.220 11.030 1.00 0.00 O ATOM 733 CB LEU A 50 5.939 -25.419 8.100 1.00 0.00 C ATOM 734 CG LEU A 50 5.403 -26.298 6.954 1.00 0.00 C ATOM 735 CD1 LEU A 50 6.580 -27.006 6.275 1.00 0.00 C ATOM 736 CD2 LEU A 50 4.398 -27.342 7.452 1.00 0.00 C ATOM 0 H LEU A 50 4.477 -23.808 6.952 1.00 0.00 H new ATOM 0 HA LEU A 50 4.178 -25.302 9.337 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.679 -24.728 7.696 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.456 -26.055 8.818 1.00 0.00 H new ATOM 0 HG LEU A 50 4.883 -25.651 6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.209 -27.631 5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.270 -26.263 5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.099 -27.629 7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.046 -27.939 6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.880 -27.992 8.182 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.551 -26.838 7.918 1.00 0.00 H new ATOM 748 N LEU A 51 5.768 -22.461 9.616 1.00 0.00 N ATOM 749 CA LEU A 51 6.444 -21.531 10.512 1.00 0.00 C ATOM 750 C LEU A 51 5.431 -20.615 11.207 1.00 0.00 C ATOM 751 O LEU A 51 5.573 -20.354 12.400 1.00 0.00 O ATOM 752 CB LEU A 51 7.458 -20.691 9.720 1.00 0.00 C ATOM 753 CG LEU A 51 8.796 -21.371 9.375 1.00 0.00 C ATOM 754 CD1 LEU A 51 9.621 -21.710 10.623 1.00 0.00 C ATOM 755 CD2 LEU A 51 8.636 -22.619 8.500 1.00 0.00 C ATOM 0 H LEU A 51 5.519 -22.046 8.718 1.00 0.00 H new ATOM 0 HA LEU A 51 6.969 -22.103 11.277 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.986 -20.375 8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.672 -19.788 10.291 1.00 0.00 H new ATOM 0 HG LEU A 51 9.340 -20.629 8.791 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.554 -22.187 10.324 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.842 -20.795 11.173 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.054 -22.389 11.260 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.617 -23.048 8.295 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.021 -23.353 9.021 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.156 -22.345 7.560 1.00 0.00 H new ATOM 767 N THR A 52 4.426 -20.117 10.474 1.00 0.00 N ATOM 768 CA THR A 52 3.432 -19.183 10.994 1.00 0.00 C ATOM 769 C THR A 52 2.092 -19.396 10.285 1.00 0.00 C ATOM 770 O THR A 52 1.995 -20.208 9.370 1.00 0.00 O ATOM 771 CB THR A 52 3.967 -17.746 10.875 1.00 0.00 C ATOM 772 OG1 THR A 52 3.147 -16.839 11.579 1.00 0.00 O ATOM 773 CG2 THR A 52 4.050 -17.289 9.417 1.00 0.00 C ATOM 0 H THR A 52 4.283 -20.357 9.493 1.00 0.00 H new ATOM 0 HA THR A 52 3.251 -19.366 12.053 1.00 0.00 H new ATOM 0 HB THR A 52 4.968 -17.754 11.306 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.509 -15.933 11.489 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.432 -16.269 9.377 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.720 -17.950 8.866 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.057 -17.322 8.968 1.00 0.00 H new ATOM 781 N SER A 53 1.052 -18.683 10.731 1.00 0.00 N ATOM 782 CA SER A 53 -0.329 -18.891 10.320 1.00 0.00 C ATOM 783 C SER A 53 -1.113 -17.574 10.390 1.00 0.00 C ATOM 784 O SER A 53 -0.654 -16.634 11.036 1.00 0.00 O ATOM 785 CB SER A 53 -0.943 -19.947 11.245 1.00 0.00 C ATOM 786 OG SER A 53 -0.965 -19.465 12.574 1.00 0.00 O ATOM 0 H SER A 53 1.157 -17.926 11.406 1.00 0.00 H new ATOM 0 HA SER A 53 -0.370 -19.237 9.287 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.955 -20.186 10.918 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.365 -20.870 11.193 1.00 0.00 H new ATOM 0 HG SER A 53 -0.310 -18.742 12.671 1.00 0.00 H new ATOM 792 N PRO A 54 -2.299 -17.476 9.762 1.00 0.00 N ATOM 793 CA PRO A 54 -3.136 -16.286 9.823 1.00 0.00 C ATOM 794 C PRO A 54 -3.404 -15.822 11.258 1.00 0.00 C ATOM 795 O PRO A 54 -3.297 -14.633 11.544 1.00 0.00 O ATOM 796 CB PRO A 54 -4.429 -16.645 9.085 1.00 0.00 C ATOM 797 CG PRO A 54 -3.969 -17.714 8.098 1.00 0.00 C ATOM 798 CD PRO A 54 -2.923 -18.476 8.908 1.00 0.00 C ATOM 0 HA PRO A 54 -2.633 -15.439 9.356 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.191 -17.024 9.766 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.857 -15.782 8.576 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.790 -18.359 7.785 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.544 -17.277 7.194 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.383 -19.267 9.500 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.189 -18.951 8.256 1.00 0.00 H new ATOM 806 N GLU A 55 -3.748 -16.756 12.155 1.00 0.00 N ATOM 807 CA GLU A 55 -4.082 -16.453 13.540 1.00 0.00 C ATOM 808 C GLU A 55 -2.880 -15.941 14.343 1.00 0.00 C ATOM 809 O GLU A 55 -3.044 -15.032 15.154 1.00 0.00 O ATOM 810 CB GLU A 55 -4.804 -17.627 14.227 1.00 0.00 C ATOM 811 CG GLU A 55 -4.018 -18.942 14.366 1.00 0.00 C ATOM 812 CD GLU A 55 -3.994 -19.821 13.114 1.00 0.00 C ATOM 813 OE1 GLU A 55 -4.602 -19.426 12.094 1.00 0.00 O ATOM 814 OE2 GLU A 55 -3.358 -20.892 13.204 1.00 0.00 O ATOM 0 H GLU A 55 -3.801 -17.750 11.931 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.790 -15.625 13.515 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.104 -17.304 15.224 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.718 -17.835 13.671 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.991 -18.705 14.644 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.446 -19.518 15.187 1.00 0.00 H new ATOM 821 N THR A 56 -1.677 -16.496 14.128 1.00 0.00 N ATOM 822 CA THR A 56 -0.471 -16.019 14.803 1.00 0.00 C ATOM 823 C THR A 56 -0.132 -14.599 14.350 1.00 0.00 C ATOM 824 O THR A 56 0.155 -13.738 15.181 1.00 0.00 O ATOM 825 CB THR A 56 0.720 -16.962 14.570 1.00 0.00 C ATOM 826 OG1 THR A 56 0.848 -17.315 13.216 1.00 0.00 O ATOM 827 CG2 THR A 56 0.606 -18.243 15.400 1.00 0.00 C ATOM 0 H THR A 56 -1.519 -17.276 13.490 1.00 0.00 H new ATOM 0 HA THR A 56 -0.673 -16.006 15.874 1.00 0.00 H new ATOM 0 HB THR A 56 1.605 -16.408 14.885 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.730 -17.041 12.888 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.468 -18.881 15.205 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.575 -17.989 16.459 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.307 -18.773 15.127 1.00 0.00 H new ATOM 835 N LEU A 57 -0.170 -14.358 13.036 1.00 0.00 N ATOM 836 CA LEU A 57 0.123 -13.062 12.443 1.00 0.00 C ATOM 837 C LEU A 57 -0.879 -12.013 12.930 1.00 0.00 C ATOM 838 O LEU A 57 -0.480 -10.926 13.341 1.00 0.00 O ATOM 839 CB LEU A 57 0.121 -13.191 10.914 1.00 0.00 C ATOM 840 CG LEU A 57 1.236 -14.126 10.414 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.929 -14.565 8.977 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.606 -13.440 10.449 1.00 0.00 C ATOM 0 H LEU A 57 -0.410 -15.073 12.349 1.00 0.00 H new ATOM 0 HA LEU A 57 1.113 -12.728 12.755 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.846 -13.570 10.583 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.247 -12.205 10.467 1.00 0.00 H new ATOM 0 HG LEU A 57 1.271 -14.991 11.077 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.719 -15.227 8.622 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.025 -15.092 8.954 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.875 -13.688 8.332 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.368 -14.131 10.089 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.587 -12.556 9.811 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.839 -13.144 11.472 1.00 0.00 H new ATOM 854 N ARG A 58 -2.172 -12.355 12.913 1.00 0.00 N ATOM 855 CA ARG A 58 -3.238 -11.552 13.496 1.00 0.00 C ATOM 856 C ARG A 58 -2.924 -11.226 14.959 1.00 0.00 C ATOM 857 O ARG A 58 -3.078 -10.081 15.373 1.00 0.00 O ATOM 858 CB ARG A 58 -4.565 -12.307 13.362 1.00 0.00 C ATOM 859 CG ARG A 58 -5.722 -11.574 14.050 1.00 0.00 C ATOM 860 CD ARG A 58 -7.066 -12.231 13.728 1.00 0.00 C ATOM 861 NE ARG A 58 -7.061 -13.674 13.995 1.00 0.00 N ATOM 862 CZ ARG A 58 -7.165 -14.240 15.209 1.00 0.00 C ATOM 863 NH1 ARG A 58 -7.249 -13.488 16.317 1.00 0.00 N ATOM 864 NH2 ARG A 58 -7.186 -15.574 15.314 1.00 0.00 N ATOM 0 H ARG A 58 -2.507 -13.217 12.483 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.319 -10.605 12.963 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.799 -12.441 12.306 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.460 -13.302 13.794 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.564 -11.573 15.129 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.738 -10.532 13.729 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.850 -11.757 14.319 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.310 -12.059 12.680 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.971 -14.298 13.193 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.234 -12.471 16.245 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.328 -13.934 17.231 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.123 -16.153 14.476 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.265 -16.012 16.232 1.00 0.00 H new ATOM 878 N GLY A 59 -2.480 -12.225 15.731 1.00 0.00 N ATOM 879 CA GLY A 59 -2.078 -12.065 17.119 1.00 0.00 C ATOM 880 C GLY A 59 -0.963 -11.030 17.280 1.00 0.00 C ATOM 881 O GLY A 59 -1.050 -10.167 18.150 1.00 0.00 O ATOM 0 H GLY A 59 -2.391 -13.184 15.394 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.941 -11.763 17.713 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.741 -13.024 17.511 1.00 0.00 H new ATOM 885 N ALA A 60 0.081 -11.111 16.445 1.00 0.00 N ATOM 886 CA ALA A 60 1.212 -10.193 16.481 1.00 0.00 C ATOM 887 C ALA A 60 0.765 -8.758 16.192 1.00 0.00 C ATOM 888 O ALA A 60 1.067 -7.852 16.964 1.00 0.00 O ATOM 889 CB ALA A 60 2.287 -10.657 15.493 1.00 0.00 C ATOM 0 H ALA A 60 0.159 -11.825 15.721 1.00 0.00 H new ATOM 0 HA ALA A 60 1.640 -10.198 17.483 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.131 -9.968 15.523 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.625 -11.657 15.766 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.871 -10.677 14.486 1.00 0.00 H new ATOM 895 N ILE A 61 0.037 -8.555 15.089 1.00 0.00 N ATOM 896 CA ILE A 61 -0.516 -7.260 14.702 1.00 0.00 C ATOM 897 C ILE A 61 -1.418 -6.723 15.819 1.00 0.00 C ATOM 898 O ILE A 61 -1.369 -5.537 16.138 1.00 0.00 O ATOM 899 CB ILE A 61 -1.268 -7.403 13.365 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.316 -7.841 12.233 1.00 0.00 C ATOM 901 CG2 ILE A 61 -1.929 -6.073 12.973 1.00 0.00 C ATOM 902 CD1 ILE A 61 -1.062 -8.437 11.036 1.00 0.00 C ATOM 0 H ILE A 61 -0.186 -9.302 14.431 1.00 0.00 H new ATOM 0 HA ILE A 61 0.286 -6.537 14.557 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.033 -8.167 13.502 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.268 -6.983 11.902 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.389 -8.576 12.620 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.455 -6.193 12.026 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.637 -5.777 13.747 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.164 -5.304 12.868 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.345 -8.728 10.269 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.625 -9.313 11.358 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.748 -7.694 10.628 1.00 0.00 H new ATOM 914 N GLU A 62 -2.234 -7.595 16.421 1.00 0.00 N ATOM 915 CA GLU A 62 -3.116 -7.237 17.520 1.00 0.00 C ATOM 916 C GLU A 62 -2.291 -6.688 18.688 1.00 0.00 C ATOM 917 O GLU A 62 -2.586 -5.609 19.197 1.00 0.00 O ATOM 918 CB GLU A 62 -3.974 -8.449 17.920 1.00 0.00 C ATOM 919 CG GLU A 62 -5.303 -8.042 18.575 1.00 0.00 C ATOM 920 CD GLU A 62 -5.112 -7.283 19.885 1.00 0.00 C ATOM 921 OE1 GLU A 62 -4.497 -7.872 20.800 1.00 0.00 O ATOM 922 OE2 GLU A 62 -5.587 -6.128 19.949 1.00 0.00 O ATOM 0 H GLU A 62 -2.296 -8.577 16.151 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.801 -6.448 17.209 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.179 -9.052 17.036 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.410 -9.077 18.610 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.869 -7.421 17.881 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.899 -8.936 18.762 1.00 0.00 H new ATOM 929 N ASP A 63 -1.248 -7.429 19.086 1.00 0.00 N ATOM 930 CA ASP A 63 -0.344 -7.075 20.170 1.00 0.00 C ATOM 931 C ASP A 63 0.339 -5.724 19.930 1.00 0.00 C ATOM 932 O ASP A 63 0.504 -4.954 20.875 1.00 0.00 O ATOM 933 CB ASP A 63 0.683 -8.196 20.367 1.00 0.00 C ATOM 934 CG ASP A 63 1.612 -7.908 21.543 1.00 0.00 C ATOM 935 OD1 ASP A 63 1.168 -8.139 22.689 1.00 0.00 O ATOM 936 OD2 ASP A 63 2.748 -7.462 21.276 1.00 0.00 O ATOM 0 H ASP A 63 -1.010 -8.317 18.644 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.928 -6.965 21.084 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.164 -9.140 20.535 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.272 -8.314 19.458 1.00 0.00 H new ATOM 941 N MET A 64 0.723 -5.424 18.679 1.00 0.00 N ATOM 942 CA MET A 64 1.284 -4.124 18.315 1.00 0.00 C ATOM 943 C MET A 64 0.305 -2.969 18.577 1.00 0.00 C ATOM 944 O MET A 64 0.745 -1.828 18.709 1.00 0.00 O ATOM 945 CB MET A 64 1.759 -4.119 16.856 1.00 0.00 C ATOM 946 CG MET A 64 3.002 -4.993 16.656 1.00 0.00 C ATOM 947 SD MET A 64 3.663 -4.997 14.968 1.00 0.00 S ATOM 948 CE MET A 64 4.281 -3.295 14.877 1.00 0.00 C ATOM 0 H MET A 64 0.652 -6.076 17.898 1.00 0.00 H new ATOM 0 HA MET A 64 2.147 -3.961 18.960 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.956 -4.477 16.212 1.00 0.00 H new ATOM 0 HB3 MET A 64 1.981 -3.097 16.550 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.782 -4.652 17.336 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.758 -6.017 16.938 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.936 -3.192 14.012 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.441 -2.607 14.780 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.838 -3.061 15.784 1.00 0.00 H new ATOM 958 N GLY A 65 -1.001 -3.255 18.669 1.00 0.00 N ATOM 959 CA GLY A 65 -2.018 -2.312 19.109 1.00 0.00 C ATOM 960 C GLY A 65 -2.920 -1.897 17.953 1.00 0.00 C ATOM 961 O GLY A 65 -3.042 -0.708 17.662 1.00 0.00 O ATOM 0 H GLY A 65 -1.380 -4.172 18.432 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.619 -2.763 19.899 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.540 -1.430 19.536 1.00 0.00 H new ATOM 965 N PHE A 66 -3.554 -2.882 17.307 1.00 0.00 N ATOM 966 CA PHE A 66 -4.511 -2.673 16.230 1.00 0.00 C ATOM 967 C PHE A 66 -5.665 -3.664 16.375 1.00 0.00 C ATOM 968 O PHE A 66 -5.494 -4.732 16.957 1.00 0.00 O ATOM 969 CB PHE A 66 -3.815 -2.844 14.875 1.00 0.00 C ATOM 970 CG PHE A 66 -2.681 -1.864 14.633 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.979 -0.532 14.291 1.00 0.00 C ATOM 972 CD2 PHE A 66 -1.347 -2.238 14.890 1.00 0.00 C ATOM 973 CE1 PHE A 66 -1.956 0.431 14.242 1.00 0.00 C ATOM 974 CE2 PHE A 66 -0.328 -1.269 14.863 1.00 0.00 C ATOM 975 CZ PHE A 66 -0.632 0.066 14.541 1.00 0.00 C ATOM 0 H PHE A 66 -3.408 -3.867 17.528 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.910 -1.660 16.285 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.425 -3.859 14.805 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.554 -2.731 14.082 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.996 -0.249 14.066 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.107 -3.268 15.108 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.187 1.451 13.975 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.690 -1.550 15.090 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.151 0.810 14.524 1.00 0.00 H new ATOM 985 N ASP A 67 -6.838 -3.322 15.827 1.00 0.00 N ATOM 986 CA ASP A 67 -7.946 -4.256 15.708 1.00 0.00 C ATOM 987 C ASP A 67 -7.678 -5.133 14.486 1.00 0.00 C ATOM 988 O ASP A 67 -8.015 -4.761 13.362 1.00 0.00 O ATOM 989 CB ASP A 67 -9.274 -3.498 15.612 1.00 0.00 C ATOM 990 CG ASP A 67 -10.441 -4.442 15.325 1.00 0.00 C ATOM 991 OD1 ASP A 67 -10.699 -5.309 16.189 1.00 0.00 O ATOM 992 OD2 ASP A 67 -11.054 -4.284 14.247 1.00 0.00 O ATOM 0 H ASP A 67 -7.037 -2.392 15.458 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.026 -4.892 16.590 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.458 -2.965 16.545 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.209 -2.748 14.824 1.00 0.00 H new ATOM 997 N ALA A 68 -7.055 -6.292 14.727 1.00 0.00 N ATOM 998 CA ALA A 68 -6.640 -7.236 13.704 1.00 0.00 C ATOM 999 C ALA A 68 -7.674 -8.359 13.619 1.00 0.00 C ATOM 1000 O ALA A 68 -7.875 -9.078 14.597 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.253 -7.775 14.058 1.00 0.00 C ATOM 0 H ALA A 68 -6.822 -6.601 15.671 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.579 -6.752 12.729 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.933 -8.485 13.295 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.543 -6.949 14.106 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.293 -8.276 15.025 1.00 0.00 H new ATOM 1007 N THR A 69 -8.332 -8.501 12.461 1.00 0.00 N ATOM 1008 CA THR A 69 -9.360 -9.510 12.219 1.00 0.00 C ATOM 1009 C THR A 69 -9.189 -10.068 10.805 1.00 0.00 C ATOM 1010 O THR A 69 -8.955 -9.306 9.872 1.00 0.00 O ATOM 1011 CB THR A 69 -10.762 -8.910 12.414 1.00 0.00 C ATOM 1012 OG1 THR A 69 -10.954 -7.794 11.570 1.00 0.00 O ATOM 1013 CG2 THR A 69 -11.012 -8.482 13.865 1.00 0.00 C ATOM 0 H THR A 69 -8.158 -7.904 11.653 1.00 0.00 H new ATOM 0 HA THR A 69 -9.251 -10.323 12.936 1.00 0.00 H new ATOM 0 HB THR A 69 -11.472 -9.696 12.157 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.853 -7.429 11.709 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.015 -8.064 13.953 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.920 -9.348 14.521 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.279 -7.729 14.154 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.294 -11.393 10.640 1.00 0.00 N ATOM 1022 CA LEU A 70 -9.067 -12.051 9.358 1.00 0.00 C ATOM 1023 C LEU A 70 -10.118 -11.618 8.330 1.00 0.00 C ATOM 1024 O LEU A 70 -11.297 -11.509 8.659 1.00 0.00 O ATOM 1025 CB LEU A 70 -9.097 -13.581 9.515 1.00 0.00 C ATOM 1026 CG LEU A 70 -8.120 -14.141 10.563 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -8.209 -15.670 10.589 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -6.670 -13.732 10.281 1.00 0.00 C ATOM 0 H LEU A 70 -9.539 -12.034 11.395 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.081 -11.752 9.003 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.109 -13.885 9.783 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.873 -14.036 8.550 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.408 -13.723 11.528 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.515 -16.062 11.333 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.225 -15.971 10.846 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.950 -16.066 9.607 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.018 -14.151 11.048 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.369 -14.109 9.303 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.590 -12.645 10.291 1.00 0.00 H new